A0A077Z925_TRITR Loading...

Sugar tr domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z925, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,212 aa.

						>A0A077Z925_TRITR|A0A077Z925
MPNTPGRKGSNFASLIYLIVIVLTGFPIGYHIAALSGAMLIVREKFQLSNQWQESANKISNLRISLQTVSFQLLVSSTVFAAAPATLFTGRLSDAFGRKKTMLLSWIFFAIGAIACSVANTKYVLLAGRILLGIGLGIACAAIPPYLTEMTRAHLRGIILNLFPLLMTLGEWLAGAFAAAFSYIENTDASWRLMLSAGSFLIIFQFFYYPFIPESPGWLASKNQMCNSCSTGAARCSDSEMNRRLSNMGQVAHQYQDERLRNVSRKGKPSAVLNCCVIKFERNGFIALLKSREGRKALILGCSLQLIQQLSGVACVLFYSGSIAKMSGVKDNTIAMWFGSLPALTNFIGTAIGTYLVEKVGRRSTVIWSTAASSAGVLFMGIGFSLIASTSMRAGYDESLYLNGTFKALAANDKCALLGCDACSYESICGFCYLPQSQDSAQSGACVSVYQKGGIINPNSALYGRCLLSELSNLNFTRKSGFLEPSAAFDYGYCTTSYFWIPIAASIVFLLVFALGLSGIPWTVNGEIYPNWARSMGNSASSFVNIFGCLVTTLTFLSLSTAITRQGVYYLYAALTAVSTGYLYMVLPETKGVGIDDIEVLLQGPWIYKAKRHCTFITAATVMMGFPIGYNSTIVSGAMLILREQFYLNSLWMQLITGIIIAAATIFGLLAGWLNELLGRKKLISASCILFIIGAVLTSISNGKQILVMGRFVQGMAAGIATTTVPAYTAELAPVHLRGALITLFPLCMSIGQLASGISAASLSYLENGNISWRLMFALGTLPVVAQLFLLPLIPESKEWLASKTQAKRTAAHYGKSSVAGEALGHAKIKTTQASKWQLPTSVSKNETRRSLLIGCSVLMFQQLTGVTCVMFYYGSIVKMSGVRDRSTTMWLASLPGIISLLGGAASTYLIEKCGRRNLILWSAGGSTVGLIIMGVGFSLIASTSLPSLYKEDSFVNGRFDNFAEKDFCKAFSCDDCSYQPDCGFCFMPTARNASSSGSCVSVYRSGGSELIDYAAYGRCSPKLKNVTTAGKKEIHYVNPKVVFDYGFCSTSYSWVPVAGSLVFLCAFSVGMIYPSTKKRFSGVPWAVNAELYPTWARSMGASAATFVNCVFCWVTASTFLSLSTAITRQGLFFLFASLSTTGSILMYLILPETKGISMEDIQALLKHSWIWNPRYSSFHFGHIDDCVIHIFFQKTDIVCITHYSERKTELC
					

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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	32.3	Very low	35.9	Very low	239 Å²	239	132 Å²	132	100%	1.177	76%	0.76	S	S	*	*				0	142.1	0	-72	172	172.4	0	0	108.8
2	P	30.6	Very low	38.4	Very low	111 Å²	111	133.6 Å²	133.6	72%	0.721	75%	0.752	S	S	*	*			trans	-97.3	173.5	-158.1	9.1	11.9	0	0	0	113.7
3	N	29.4	Very low	40.7	Very low	154 Å²	154	126.6 Å²	126.6	82%	0.824	72%	0.721	S	S	*	*			trans	36.2	91.2	150	-59.9	-7.4	0	0	0	118.6
4	T	32.8	Very low	42.9	Very low	139 Å²	139	120.8 Å²	120.8	85%	0.853	69%	0.692	S	S	*	*			trans	-132.5	102.9	146.8	33.1	0	0	0	0	109.2	G6	T4-G6 PolarHBondContact O-N 3.23Å
5	P	28.7	Very low	45.1	Very low	135 Å²	135	116.9 Å²	116.9	88%	0.877	67%	0.668	S	S	*	*			trans	-80.1	113	175.4	30.8	-30.2	0	0	0	109.6
6	G	29.7	Very low	47.3	Very low	75 Å²	75	113.2 Å²	113.2	77%	0.773	64%	0.644	S	S	*	*			trans	170.5	5.4	176.1	0	0	0	0	0	122.6	T4	T4-G6 PolarHBondContact O-N 3.23Å
7	R	36.9	Very low	49.5	Very low	192 Å²	192	109.8 Å²	109.8	73%	0.725	62%	0.619	S	S	*	*			trans	-130.9	32	-171.7	-98.6	-172.9	-177.1	-177.8	4.4	118
8	K	32	Very low	51.5	Low	204 Å²	204	104.3 Å²	104.3	89%	0.887	59%	0.588	S	S	*	*	S	Bend	trans	-71.8	-25.7	179.6	-77.8	-174.8	176.4	178.4	0	115.4
9	G	36.3	Very low	53.2	Low	70 Å²	70	103.2 Å²	103.2	72%	0.722	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-31.4	-171.3	0	0	0	0	0	116.9	N11	G9-N11 VanDerWaalsContact C-N 3.28Å; G9-N11 PolarHBondContact O-N 3.15Å; G9-N11 VanDerWaalsContact O-N 3.16Å
10	S	46.2	Very low	55	Low	53 Å²	53	98.3 Å²	98.3	37%	0.371	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.6	-11.7	-168.1	-174.4	0	0	0	0	115.7
11	N	59.9	Low	56.7	Low	80 Å²	80	93.6 Å²	93.6	43%	0.428	53%	0.526	S	S	.	.	H	α-helix	trans	-89.1	-18.1	-171.9	-64.6	-52	0	0	0	114.2	G9 R152	G9-N11 VanDerWaalsContact C-N 3.28Å; G9-N11 PolarHBondContact O-N 3.15Å; G9-N11 VanDerWaalsContact O-N 3.16Å; N11-R152 PolarHBondContact OD1-NH1 3.07Å; N11-R152 PolarHBondContact OD1-NH2 2.67Å
12	F	65.5	Low	59.4	Low	151 Å²	151	82.4 Å²	82.4	66%	0.662	47%	0.471	S	S	*	.	H	α-helix	trans	-79.2	-45.6	-171.8	-170.1	-110.5	0	0	0	112.9	S14 L15 I16	F12-S14 PolarHBondContact O-N 3.13Å; F12-L15 WeakPolarHBondContact O-CB 3.47Å; F12-L15 PolarHBondContact O-N 2.98Å; F12-L15 VanDerWaalsContact O-N 3.12Å; F12-I16 HydrophobicContact CD1-CD1 3.97Å; F12-I16 HydrophobicContact CE1-CD1 3.7Å; F12-I16 HydrophobicContact CE1-CG1 4.46Å; F12-I16 HydrophobicContact CZ-CD1 4.36Å; F12-I16 PolarHBondContact O-N 3.32Å
13	A	69	Low	62.3	Low	43 Å²	43	78.6 Å²	78.6	36%	0.355	44%	0.444	S	S	.	.	H	α-helix	trans	-59.4	-45.1	-179.6	0	0	0	0	0	112.6	L15 I16 Y17	A13-L15 PolarHBondContact O-N 3.39Å; A13-I16 PolarHBondContact O-N 2.81Å; A13-I16 VanDerWaalsContact O-N 3.15Å; A13-Y17 HydrophobicContact CB-CE2 4.29Å; A13-Y17 WeakPolarHBondContact O-CD2 3.42Å; A13-Y17 PolarHBondContact O-N 3.33Å
14	S	71.4	Confident	65.2	Low	45 Å²	45	71.2 Å²	71.2	32%	0.315	41%	0.405	S	S	.	.	H	α-helix	trans	-59.9	-31.7	177.4	-52.9	0	0	0	0	113.1	F12 L18	F12-S14 PolarHBondContact O-N 3.13Å; S14-L18 VanDerWaalsContact O-CD1 3.32Å; S14-L18 WeakPolarHBondContact O-CD1 3.31Å; S14-L18 VanDerWaalsContact O-CG 3.26Å; S14-L18 WeakPolarHBondContact O-CG 3.46Å; S14-L18 PolarHBondContact O-N 2.73Å
15	L	75.7	Confident	67.9	Low	63 Å²	63	64.6 Å²	64.6	33%	0.33	36%	0.364	S	S	.	.	H	α-helix	trans	-70.6	-39.8	177.7	-172.5	66	0	0	0	111.7	F12 A13 Y17 L18 I19	F12-L15 WeakPolarHBondContact O-CB 3.47Å; F12-L15 PolarHBondContact O-N 2.98Å; F12-L15 VanDerWaalsContact O-N 3.12Å; A13-L15 PolarHBondContact O-N 3.39Å; L15-Y17 PolarHBondContact O-N 3.27Å; L15-L18 PolarHBondContact O-N 3.15Å; L15-I19 HydrophobicContact CG-CD1 4.09Å; L15-I19 WeakPolarHBondContact O-CG1 3.24Å; L15-I19 PolarHBondContact O-N 3.44Å; L15-I19 VanDerWaalsContact O-N 3.09Å
16	I	80.8	Confident	70.9	Confident	57 Å²	57	58.4 Å²	58.4	29%	0.292	32%	0.323	S	S	.	.	H	α-helix	trans	-59.3	-48.3	176.9	-64.8	171.7	0	0	0	110.5	F12 A13 L18 I19 V20 Y208	F12-I16 HydrophobicContact CD1-CD1 3.97Å; F12-I16 HydrophobicContact CE1-CD1 3.7Å; F12-I16 HydrophobicContact CE1-CG1 4.46Å; F12-I16 HydrophobicContact CZ-CD1 4.36Å; F12-I16 PolarHBondContact O-N 3.32Å; A13-I16 PolarHBondContact O-N 2.81Å; A13-I16 VanDerWaalsContact O-N 3.15Å; I16-L18 VanDerWaalsContact C-N 3.27Å; I16-L18 PolarHBondContact O-N 2.77Å; I16-I19 PolarHBondContact O-N 3.49Å; I16-I19 VanDerWaalsContact O-N 3.14Å; I16-V20 HydrophobicContact CG2-CG2 4.47Å; I16-V20 WeakPolarHBondContact O-CG2 3.41Å; I16-V20 PolarHBondContact O-N 3.02Å; I16-Y208 HydrophobicContact CG2-CE1 4.24Å
17	Y	84.3	Confident	73.8	Confident	56 Å²	56	54.8 Å²	54.8	22%	0.22	29%	0.287	C	S	.	.	H	α-helix	trans	-59.4	-39.5	-179.8	-53	-36.5	0	0	0	112.3	A13 L15 I21 F211 I212 P213	A13-Y17 HydrophobicContact CB-CE2 4.29Å; A13-Y17 WeakPolarHBondContact O-CD2 3.42Å; A13-Y17 PolarHBondContact O-N 3.33Å; L15-Y17 PolarHBondContact O-N 3.27Å; Y17-I21 VanDerWaalsContact O-CD1 3.31Å; Y17-I21 WeakPolarHBondContact O-CD1 3.25Å; Y17-I21 WeakPolarHBondContact O-CG1 3.48Å; Y17-I21 PolarHBondContact O-N 3.12Å; Y17-F211 HydrophobicContact CE1-CB 3.8Å; Y17-F211 WeakPolarHBondContact CE1-O 3.37Å; Y17-F211 PolarHBondContact OH-O 3.15Å; Y17-I212 HydrophobicContact CD1-CG1 4.39Å; Y17-P213 HydrophobicContact CD2-CG 3.87Å; Y17-P213 HydrophobicContact CE2-CG 4.18Å
18	L	84.7	Confident	76.3	Confident	11 Å²	11	45.7 Å²	45.7	6%	0.058	25%	0.252	C	S	.	.	H	α-helix	trans	-66.8	-38.8	178	-67.6	165.1	0	0	0	111.9	S14 L15 I16 I21 V22 Y146 L147 M150 T151 I159	S14-L18 VanDerWaalsContact O-CD1 3.32Å; S14-L18 WeakPolarHBondContact O-CD1 3.31Å; S14-L18 VanDerWaalsContact O-CG 3.26Å; S14-L18 WeakPolarHBondContact O-CG 3.46Å; S14-L18 PolarHBondContact O-N 2.73Å; L15-L18 PolarHBondContact O-N 3.15Å; I16-L18 VanDerWaalsContact C-N 3.27Å; I16-L18 PolarHBondContact O-N 2.77Å; L18-I21 PolarHBondContact O-N 3.04Å; L18-V22 VanDerWaalsContact O-CB 3.32Å; L18-V22 WeakPolarHBondContact O-CB 3.43Å; L18-V22 WeakPolarHBondContact O-CG2 3.43Å; L18-V22 PolarHBondContact O-N 3.27Å; L18-Y146 HydrophobicContact CD2-CE1 4.42Å; L18-L147 HydrophobicContact CD2-CD2 3.65Å; L18-M150 HydrophobicContact CD2-CB 3.73Å; L18-T151 HydrophobicContact CD1-CG2 3.93Å; L18-T151 HydrophobicContact CD2-CG2 4.14Å; L18-I159 HydrophobicContact CB-CG2 4.2Å; L18-I159 HydrophobicContact CD1-CD1 3.98Å; L18-I159 HydrophobicContact CD1-CG2 4.48Å; L18-I159 HydrophobicContact CD2-CG2 4.21Å
19	I	84.6	Confident	79	Confident	83 Å²	83	36 Å²	36	43%	0.426	21%	0.21	S	C	.	.	H	α-helix	trans	-64.6	-48.6	176.9	-68.2	164.6	0	0	0	111.3	L15 I16 I21 V22 L23	L15-I19 HydrophobicContact CG-CD1 4.09Å; L15-I19 WeakPolarHBondContact O-CG1 3.24Å; L15-I19 PolarHBondContact O-N 3.44Å; L15-I19 VanDerWaalsContact O-N 3.09Å; I16-I19 PolarHBondContact O-N 3.49Å; I16-I19 VanDerWaalsContact O-N 3.14Å; I19-I21 PolarHBondContact O-N 2.95Å; I19-V22 WeakPolarHBondContact O-CB 3.22Å; I19-V22 PolarHBondContact O-N 2.76Å; I19-L23 PolarHBondContact O-N 2.76Å; I19-L23 VanDerWaalsContact O-N 3.1Å
20	V	88.1	Confident	81.5	Confident	4 Å²	4	32.6 Å²	32.6	2%	0.024	18%	0.175	C	C	.	.	H	α-helix	trans	-57.8	-36.8	179.7	174.7	0	0	0	0	111.9	I16 L23 F204 Q205 Y208 I212	I16-V20 HydrophobicContact CG2-CG2 4.47Å; I16-V20 WeakPolarHBondContact O-CG2 3.41Å; I16-V20 PolarHBondContact O-N 3.02Å; V20-L23 WeakPolarHBondContact O-CB 3.44Å; V20-L23 PolarHBondContact O-N 3.43Å; V20-F204 HydrophobicContact CG2-CE1 4.28Å; V20-Q205 HydrophobicContact CG1-CG 4.46Å; V20-Q205 PolarHBondContact O-NE2 2.72Å; V20-Y208 HydrophobicContact CG1-CG 4.45Å; V20-Y208 HydrophobicContact CG2-CD1 4.03Å; V20-Y208 HydrophobicContact CG2-CD2 4.36Å; V20-Y208 HydrophobicContact CG2-CG 3.83Å; V20-I212 HydrophobicContact CG1-CD1 4.07Å
21	I	90.6	Very high	83.4	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-73.2	-43.1	-179.2	-71.7	172.1	0	0	0	111.4	Y17 L18 I19 L23 T24 M102 I143 Y146 L147 I212	Y17-I21 VanDerWaalsContact O-CD1 3.31Å; Y17-I21 WeakPolarHBondContact O-CD1 3.25Å; Y17-I21 WeakPolarHBondContact O-CG1 3.48Å; Y17-I21 PolarHBondContact O-N 3.12Å; L18-I21 PolarHBondContact O-N 3.04Å; I19-I21 PolarHBondContact O-N 2.95Å; I21-L23 PolarHBondContact O-N 3.05Å; I21-T24 WeakPolarHBondContact O-CB 3.21Å; I21-T24 PolarHBondContact O-N 3.06Å; I21-T24 PolarHBondContact O-OG1 3.26Å; I21-M102 HydrophobicContact CB-CE 3.91Å; I21-M102 HydrophobicContact CD1-CE 3.77Å; I21-M102 HydrophobicContact CG1-CE 3.5Å; I21-M102 HydrophobicContact CG2-CE 3.35Å; I21-M102 HydrophobicContact CG2-SD 4.38Å; I21-I143 HydrophobicContact CG2-CG2 3.99Å; I21-Y146 HydrophobicContact CD1-CD1 3.68Å; I21-Y146 HydrophobicContact CD1-CE1 3.06Å; I21-Y146 HydrophobicContact CD1-CE2 4.32Å; I21-Y146 VanDerWaalsContact CD1-CZ 3.43Å; I21-Y146 HydrophobicContact CG1-CE1 4.46Å; I21-Y146 HydrophobicContact CG2-CD1 4.32Å; I21-L147 HydrophobicContact CG2-CD2 3.88Å; I21-L147 HydrophobicContact CG2-CG 4.45Å; I21-I212 HydrophobicContact CD1-CD1 4.26Å; I21-I212 HydrophobicContact CD1-CG2 3.85Å; I21-I212 HydrophobicContact CG1-CD1 3.97Å
22	V	90.3	Very high	84.6	Confident	5 Å²	5	27.8 Å²	27.8	3%	0.03	15%	0.145	C	C	.	.	H	α-helix	trans	-56.1	-34.3	173.8	147.7	0	0	0	0	112	L18 I19 T24 G25 L147 L162 L166	L18-V22 VanDerWaalsContact O-CB 3.32Å; L18-V22 WeakPolarHBondContact O-CB 3.43Å; L18-V22 WeakPolarHBondContact O-CG2 3.43Å; L18-V22 PolarHBondContact O-N 3.27Å; I19-V22 WeakPolarHBondContact O-CB 3.22Å; I19-V22 PolarHBondContact O-N 2.76Å; V22-T24 PolarHBondContact O-N 2.83Å; V22-G25 PolarHBondContact O-N 2.96Å; V22-L147 HydrophobicContact CG2-CD1 3.95Å; V22-L147 HydrophobicContact CG2-CD2 4.18Å; V22-L162 HydrophobicContact CB-CB 4.38Å; V22-L162 HydrophobicContact CG1-CB 3.54Å; V22-L162 HydrophobicContact CG2-CB 3.91Å; V22-L166 HydrophobicContact CG1-CD1 3.59Å; V22-L166 HydrophobicContact CG1-CG 4.27Å
23	L	90.5	Very high	85.4	Confident	30 Å²	30	21.4 Å²	21.4	16%	0.157	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-23	176.6	-67.5	174.8	0	0	0	114.3	I19 V20 I21 G25 F26 P27 L166 L201 F204 Q205	I19-L23 PolarHBondContact O-N 2.76Å; I19-L23 VanDerWaalsContact O-N 3.1Å; V20-L23 WeakPolarHBondContact O-CB 3.44Å; V20-L23 PolarHBondContact O-N 3.43Å; I21-L23 PolarHBondContact O-N 3.05Å; L23-G25 PolarHBondContact O-N 3.25Å; L23-G25 VanDerWaalsContact O-N 3.13Å; L23-F26 WeakPolarHBondContact O-CB 3.46Å; L23-F26 PolarHBondContact O-N 2.93Å; L23-P27 WeakPolarHBondContact O-CD 3.16Å; L23-L166 HydrophobicContact CD2-CD1 3.84Å; L23-L201 HydrophobicContact CD2-CD1 4.49Å; L23-F204 HydrophobicContact CD1-CD1 3.5Å; L23-F204 VanDerWaalsContact CD1-CD1 3.5Å; L23-F204 HydrophobicContact CD1-CE1 3.52Å; L23-Q205 HydrophobicContact CB-CG 4.3Å
24	T	91.2	Very high	86	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-19.9	176.6	-36.6	0	0	0	0	112.7	I21 V22 F26 P27 I28 W106 A139 I143 Q205	I21-T24 WeakPolarHBondContact O-CB 3.21Å; I21-T24 PolarHBondContact O-N 3.06Å; I21-T24 PolarHBondContact O-OG1 3.26Å; V22-T24 PolarHBondContact O-N 2.83Å; T24-F26 PolarHBondContact O-N 3.31Å; T24-P27 VanDerWaalsContact O-CD 3.32Å; T24-P27 WeakPolarHBondContact O-CD 3.18Å; T24-P27 WeakPolarHBondContact O-CG 3.35Å; T24-I28 WeakPolarHBondContact O-CD1 3.43Å; T24-I28 WeakPolarHBondContact O-CG1 3.29Å; T24-W106 VanDerWaalsContact CG2-NE1 3.35Å; T24-W106 PolarHBondContact OG1-NE1 3.32Å; T24-A139 HydrophobicContact CG2-CB 3.97Å; T24-I143 VanDerWaalsContact CB-CD1 3.48Å; T24-I143 HydrophobicContact CG2-CD1 3.78Å; T24-Q205 PolarHBondContact OG1-NE2 2.92Å
25	G	89.8	Confident	86.3	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-56.9	-38.8	172	0	0	0	0	0	112.4	V22 L23 I28 G29 L166 M167	V22-G25 PolarHBondContact O-N 2.96Å; L23-G25 PolarHBondContact O-N 3.25Å; L23-G25 VanDerWaalsContact O-N 3.13Å; G25-I28 WeakPolarHBondContact O-CB 3.14Å; G25-I28 PolarHBondContact O-N 3.47Å; G25-G29 PolarHBondContact O-N 2.92Å; G25-G29 VanDerWaalsContact O-N 3.16Å; G25-L166 VanDerWaalsContact C-C 3.45Å; G25-L166 CarbonylContact C-O 3.2Å; G25-M167 WeakPolarHBondContact O-CA 3.13Å; G25-M167 WeakPolarHBondContact O-CG 3.37Å; G25-M167 PolarHBondContact O-N 2.86Å
26	F	91.7	Very high	86.1	Confident	4 Å²	4	15.3 Å²	15.3	2%	0.018	8%	0.08	C	C	.	.	H	α-helix	trans	-60.5	-56.6	-176	-177.5	-93.3	0	0	0	114.7	L23 T24 I28 G29 Y30 L166 L169 L173 G198 F200 L201	L23-F26 WeakPolarHBondContact O-CB 3.46Å; L23-F26 PolarHBondContact O-N 2.93Å; T24-F26 PolarHBondContact O-N 3.31Å; F26-I28 PolarHBondContact O-N 3.42Å; F26-G29 PolarHBondContact O-N 3.48Å; F26-Y30 HydrophobicContact CE1-CD2 4.49Å; F26-Y30 HydrophobicContact CZ-CD2 4.26Å; F26-Y30 WeakPolarHBondContact O-CB 3.45Å; F26-Y30 PolarHBondContact O-N 3.3Å; F26-L166 VanDerWaalsContact CA-O 3.25Å; F26-L166 WeakPolarHBondContact CA-O 3.48Å; F26-L166 HydrophobicContact CB-CB 4.46Å; F26-L166 PolarHBondContact N-O 3.37Å; F26-L169 HydrophobicContact CD2-CB 4.32Å; F26-L169 HydrophobicContact CD2-CD2 4.07Å; F26-L169 HydrophobicContact CD2-CG 3.9Å; F26-L169 HydrophobicContact CE2-CD2 4.38Å; F26-L169 HydrophobicContact CE2-CG 4Å; F26-L173 HydrophobicContact CE2-CB 4.39Å; F26-L173 HydrophobicContact CE2-CD1 3.78Å; F26-L173 HydrophobicContact CE2-CG 4.35Å; F26-L173 HydrophobicContact CZ-CB 4.47Å; F26-L173 HydrophobicContact CZ-CD1 3.95Å; F26-G198 WeakPolarHBondContact CE1-O 3.39Å; F26-F200 AromaticContact CE1-CE1 3.97Å; F26-F200 HydrophobicContact CE1-CE1 3.97Å; F26-F200 HydrophobicContact CZ-CE1 4.26Å; F26-L201 HydrophobicContact CB-CD1 3.72Å; F26-L201 HydrophobicContact CD1-CD1 3.53Å; F26-L201 HydrophobicContact CD1-CG 4.18Å; F26-L201 HydrophobicContact CD2-CD1 4.31Å; F26-L201 HydrophobicContact CE1-CD1 4.18Å; F26-L201 HydrophobicContact CG-CD1 3.58Å
27	P	90	Very high	85.5	Confident	0 Å²	0	13 Å²	13	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62.6	-29.3	178.7	24.3	-34.6	0	0	0	112.8	L23 T24 H31 F109 I202	L23-P27 WeakPolarHBondContact O-CD 3.16Å; T24-P27 VanDerWaalsContact O-CD 3.32Å; T24-P27 WeakPolarHBondContact O-CD 3.18Å; T24-P27 WeakPolarHBondContact O-CG 3.35Å; P27-H31 WeakPolarHBondContact O-CB 3.35Å; P27-H31 PolarHBondContact O-CD2 3.32Å; P27-H31 PolarHBondContact O-N 3.28Å; P27-H31 VanDerWaalsContact O-N 3.16Å; P27-F109 HydrophobicContact CB-CD1 4.02Å; P27-F109 HydrophobicContact CB-CE1 4.22Å; P27-F109 HydrophobicContact CB-CG 4.4Å; P27-I202 HydrophobicContact CB-CD1 4.25Å; P27-I202 HydrophobicContact CB-CG1 4.24Å; P27-I202 HydrophobicContact CG-CG1 4.24Å
28	I	89.6	Confident	84.9	Confident	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-58	-60.1	172.7	-67.9	163.9	0	0	0	110.2	T24 G25 F26 Y30 H31 I32 F109 L136 A139 F163 M167	T24-I28 WeakPolarHBondContact O-CD1 3.43Å; T24-I28 WeakPolarHBondContact O-CG1 3.29Å; G25-I28 WeakPolarHBondContact O-CB 3.14Å; G25-I28 PolarHBondContact O-N 3.47Å; F26-I28 PolarHBondContact O-N 3.42Å; I28-Y30 VanDerWaalsContact C-N 3.33Å; I28-Y30 PolarHBondContact O-N 2.98Å; I28-H31 PolarHBondContact O-N 3.01Å; I28-I32 HydrophobicContact CG2-CD1 3.82Å; I28-I32 WeakPolarHBondContact O-CD1 3.49Å; I28-I32 VanDerWaalsContact O-CG1 3.24Å; I28-I32 WeakPolarHBondContact O-CG1 3.23Å; I28-I32 PolarHBondContact O-N 3.12Å; I28-F109 HydrophobicContact CB-CZ 4.3Å; I28-F109 HydrophobicContact CG1-CE1 4.5Å; I28-F109 HydrophobicContact CG1-CE2 3.95Å; I28-F109 HydrophobicContact CG1-CZ 3.5Å; I28-L136 HydrophobicContact CG1-CG 4.39Å; I28-L136 HydrophobicContact CG2-CD1 3.96Å; I28-L136 HydrophobicContact CG2-CG 3.83Å; I28-A139 HydrophobicContact CD1-CB 3.57Å; I28-A139 HydrophobicContact CG1-CB 4.2Å; I28-F163 HydrophobicContact CD1-CE2 3.5Å; I28-F163 VanDerWaalsContact CD1-CE2 3.5Å; I28-F163 HydrophobicContact CD1-CZ 3.43Å; I28-F163 VanDerWaalsContact CD1-CZ 3.43Å; I28-M167 HydrophobicContact CB-CG 4.14Å; I28-M167 HydrophobicContact CD1-CG 4.49Å; I28-M167 HydrophobicContact CG2-CE 3.79Å; I28-M167 HydrophobicContact CG2-CG 3.93Å; I28-M167 HydrophobicContact CG2-SD 4.18Å
29	G	88.1	Confident	84.1	Confident	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-65.9	-36.5	-175.2	0	0	0	0	0	113.3	G25 F26 I32 A33 M167 E171	G25-G29 PolarHBondContact O-N 2.92Å; G25-G29 VanDerWaalsContact O-N 3.16Å; F26-G29 PolarHBondContact O-N 3.48Å; G29-I32 PolarHBondContact O-N 3.28Å; G29-A33 PolarHBondContact O-N 3.4Å; G29-A33 VanDerWaalsContact O-N 3.12Å; G29-M167 WeakPolarHBondContact CA-O 3.43Å; G29-E171 WeakPolarHBondContact O-CA 3.27Å; G29-E171 WeakPolarHBondContact O-CG 3.39Å
30	Y	89.7	Confident	83.1	Confident	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-60.5	-51.8	177.9	-171.4	-82	0	0	0	111.9	F26 I28 I32 A33 A34 G170 A174 F177 M194 G198	F26-Y30 HydrophobicContact CE1-CD2 4.49Å; F26-Y30 HydrophobicContact CZ-CD2 4.26Å; F26-Y30 WeakPolarHBondContact O-CB 3.45Å; F26-Y30 PolarHBondContact O-N 3.3Å; I28-Y30 VanDerWaalsContact C-N 3.33Å; I28-Y30 PolarHBondContact O-N 2.98Å; Y30-I32 VanDerWaalsContact C-N 3.29Å; Y30-I32 PolarHBondContact O-N 2.95Å; Y30-A33 PolarHBondContact O-N 3.38Å; Y30-A34 HydrophobicContact CD1-CB 4.18Å; Y30-A34 HydrophobicContact CE1-CB 3.94Å; Y30-A34 VanDerWaalsContact O-CB 3.25Å; Y30-A34 WeakPolarHBondContact O-CB 3.32Å; Y30-A34 PolarHBondContact O-N 3.44Å; Y30-G170 WeakPolarHBondContact CA-O 3.23Å; Y30-A174 HydrophobicContact CD1-CB 4.42Å; Y30-A174 HydrophobicContact CD2-CB 3.75Å; Y30-A174 HydrophobicContact CE2-CB 3.91Å; Y30-A174 HydrophobicContact CG-CB 4.03Å; Y30-A174 WeakPolarHBondContact O-CB 3.4Å; Y30-F177 AromaticContact CE2-CD2 3.73Å; Y30-F177 HydrophobicContact CE2-CD2 3.73Å; Y30-F177 HydrophobicContact CE2-CE2 4.2Å; Y30-M194 WeakPolarHBondContact CE1-O 3.38Å; Y30-M194 PolarHBondContact OH-O 2.9Å; Y30-G198 VanDerWaalsContact CE1-CA 3.49Å; Y30-G198 VanDerWaalsContact CE1-N 3.25Å; Y30-G198 VanDerWaalsContact CG-CA 3.4Å
31	H	86.5	Confident	82.2	Confident	1 Å²	1	9.1 Å²	9.1	1%	0.005	5%	0.053	C	C	.	.	H	α-helix	trans	-73.4	-20.9	-175.8	-75.8	-64.1	0	0	0	113.7	P27 I28 L132 L195 S199	P27-H31 WeakPolarHBondContact O-CB 3.35Å; P27-H31 PolarHBondContact O-CD2 3.32Å; P27-H31 PolarHBondContact O-N 3.28Å; P27-H31 VanDerWaalsContact O-N 3.16Å; I28-H31 PolarHBondContact O-N 3.01Å; H31-L132 HydrophobicContact CB-CD1 4.05Å; H31-L132 HydrophobicContact CB-CD2 4.24Å; H31-L132 HydrophobicContact CB-CG 4.49Å; H31-L132 WeakPolarHBondContact ND1-CD1 3.22Å; H31-L195 PolarHBondContact CE1-O 2.97Å; H31-L195 VanDerWaalsContact CE1-O 3.3Å; H31-S199 PolarHBondContact NE2-OG 3.5Å; H31-S199 VanDerWaalsContact NE2-OG 3.16Å
32	I	84.5	Confident	81.1	Confident	31 Å²	31	9.6 Å²	9.6	16%	0.159	6%	0.056	C	C	.	.	H	α-helix	trans	-64.4	-56.7	165.3	-68.4	165.9	0	0	0	110.1	I28 G29 Y30 L136 F318	I28-I32 HydrophobicContact CG2-CD1 3.82Å; I28-I32 WeakPolarHBondContact O-CD1 3.49Å; I28-I32 VanDerWaalsContact O-CG1 3.24Å; I28-I32 WeakPolarHBondContact O-CG1 3.23Å; I28-I32 PolarHBondContact O-N 3.12Å; G29-I32 PolarHBondContact O-N 3.28Å; Y30-I32 VanDerWaalsContact C-N 3.29Å; Y30-I32 PolarHBondContact O-N 2.95Å; I32-L136 HydrophobicContact CD1-CD1 3.81Å; I32-L136 HydrophobicContact CG1-CD1 3.61Å; I32-F318 HydrophobicContact CG2-CD1 4.15Å; I32-F318 HydrophobicContact CG2-CE1 3.24Å; I32-F318 HydrophobicContact CG2-CZ 3.48Å; I32-F318 VanDerWaalsContact CG2-CZ 3.48Å
33	A	82.7	Confident	79.8	Confident	16 Å²	16	14.4 Å²	14.4	13%	0.132	7%	0.073	C	C	.	.	H	α-helix	trans	-84.8	-21.8	-168.4	0	0	0	0	0	115.2	G29 Y30 L35 S36 E171 A174	G29-A33 PolarHBondContact O-N 3.4Å; G29-A33 VanDerWaalsContact O-N 3.12Å; Y30-A33 PolarHBondContact O-N 3.38Å; A33-L35 PolarHBondContact O-N 2.97Å; A33-S36 PolarHBondContact O-N 3.48Å; A33-S36 PolarHBondContact O-OG 2.97Å; A33-E171 HydrophobicContact CB-CB 4.05Å; A33-E171 HydrophobicContact CB-CG 4.27Å; A33-E171 WeakPolarHBondContact CB-O 3.37Å; A33-A174 HydrophobicContact CB-CB 3.92Å
34	A	81.9	Confident	78.2	Confident	1 Å²	1	19.2 Å²	19.2	1%	0.008	10%	0.095	C	C	.	.	H	α-helix	trans	-61.2	-18.9	-176	0	0	0	0	0	113.6	Y30 A38 A174 L195	Y30-A34 HydrophobicContact CD1-CB 4.18Å; Y30-A34 HydrophobicContact CE1-CB 3.94Å; Y30-A34 VanDerWaalsContact O-CB 3.25Å; Y30-A34 WeakPolarHBondContact O-CB 3.32Å; Y30-A34 PolarHBondContact O-N 3.44Å; A34-A38 VanDerWaalsContact O-CB 3.24Å; A34-A38 WeakPolarHBondContact O-CB 3.48Å; A34-A38 PolarHBondContact O-N 2.91Å; A34-A174 HydrophobicContact CB-CB 3.93Å; A34-L195 HydrophobicContact CB-CD2 3.98Å
35	L	76.8	Confident	76.7	Confident	6 Å²	6	23.2 Å²	23.2	3%	0.031	11%	0.113	C	C	.	.	H	α-helix	trans	-71.8	-36.8	173.3	-166.5	47.2	0	0	0	113.2	A33 G37 A38 M39 L74 V75	A33-L35 PolarHBondContact O-N 2.97Å; L35-G37 VanDerWaalsContact C-N 3.3Å; L35-G37 PolarHBondContact O-N 3.23Å; L35-A38 PolarHBondContact O-N 3.26Å; L35-M39 HydrophobicContact CD1-CG 3.74Å; L35-M39 HydrophobicContact CG-CG 3.83Å; L35-M39 HydrophobicContact CG-SD 4.36Å; L35-M39 WeakPolarHBondContact O-CB 3.47Å; L35-M39 WeakPolarHBondContact O-CG 3.38Å; L35-M39 PolarHBondContact O-N 3.19Å; L35-L74 HydrophobicContact CD1-CD2 4.13Å; L35-L74 HydrophobicContact CD1-CG 4.32Å; L35-L74 HydrophobicContact CD2-CG 4.09Å; L35-L74 WeakPolarHBondContact CD2-O 3.27Å; L35-V75 HydrophobicContact CD2-CB 4.3Å; L35-V75 HydrophobicContact CD2-CG2 3.97Å
36	S	71.6	Confident	75.4	Confident	16 Å²	16	26.2 Å²	26.2	11%	0.112	13%	0.126	C	C	.	.	H	α-helix	trans	-60.2	-41.2	-169.7	-50.5	0	0	0	0	112.1	A33 F318	A33-S36 PolarHBondContact O-N 3.48Å; A33-S36 PolarHBondContact O-OG 2.97Å; S36-F318 PolarHBondContact OG-O 3.38Å
37	G	67.8	Low	73.5	Confident	8 Å²	8	30 Å²	30	8%	0.082	14%	0.144	C	C	.	.	H	α-helix	trans	-78.3	-47.2	172.7	0	0	0	0	0	112.5	L35 M39 L40 M336	L35-G37 VanDerWaalsContact C-N 3.3Å; L35-G37 PolarHBondContact O-N 3.23Å; G37-M39 PolarHBondContact O-N 3.33Å; G37-M39 VanDerWaalsContact O-N 3.12Å; G37-L40 PolarHBondContact O-N 3.49Å; G37-L40 VanDerWaalsContact O-N 3.08Å; G37-M336 WeakPolarHBondContact O-CE 3.4Å
38	A	71.7	Confident	71.3	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.008	16%	0.158	C	C	.	.	H	α-helix	trans	-55.4	-34.1	179	0	0	0	0	0	112.3	A34 L35 L40 I41 V42 M194	A34-A38 VanDerWaalsContact O-CB 3.24Å; A34-A38 WeakPolarHBondContact O-CB 3.48Å; A34-A38 PolarHBondContact O-N 2.91Å; L35-A38 PolarHBondContact O-N 3.26Å; A38-L40 VanDerWaalsContact C-N 3.26Å; A38-L40 PolarHBondContact O-N 3.07Å; A38-I41 PolarHBondContact O-N 3.41Å; A38-I41 VanDerWaalsContact O-N 3.1Å; A38-V42 HydrophobicContact CB-CG2 4.21Å; A38-V42 WeakPolarHBondContact O-CB 3.4Å; A38-V42 WeakPolarHBondContact O-CG2 3.38Å; A38-V42 PolarHBondContact O-N 3.25Å; A38-M194 HydrophobicContact CB-SD 4.45Å
39	M	67.7	Low	68.9	Low	28 Å²	28	37.3 Å²	37.3	14%	0.138	19%	0.19	C	C	.	.	H	α-helix	trans	-56.1	-32.7	177.7	-86.7	-161.1	-64.5	0	0	114.4	L35 G37 I41 R43 V75	L35-M39 HydrophobicContact CD1-CG 3.74Å; L35-M39 HydrophobicContact CG-CG 3.83Å; L35-M39 HydrophobicContact CG-SD 4.36Å; L35-M39 WeakPolarHBondContact O-CB 3.47Å; L35-M39 WeakPolarHBondContact O-CG 3.38Å; L35-M39 PolarHBondContact O-N 3.19Å; G37-M39 PolarHBondContact O-N 3.33Å; G37-M39 VanDerWaalsContact O-N 3.12Å; M39-I41 VanDerWaalsContact C-N 3.26Å; M39-I41 PolarHBondContact O-N 3.04Å; M39-R43 WeakPolarHBondContact O-CB 3.48Å; M39-R43 PolarHBondContact O-N 3.37Å; M39-V75 HydrophobicContact CE-CG2 3.48Å; M39-V75 VanDerWaalsContact CE-CG2 3.48Å; M39-V75 HydrophobicContact SD-CG2 3.36Å; M39-V75 WeakPolarHBondContact SD-CG2 3.2Å
40	L	65.1	Low	66.4	Low	20 Å²	20	43.5 Å²	43.5	11%	0.105	22%	0.223	C	C	.	.	H	α-helix	trans	-68.5	-29.2	-179.4	-73.4	166	0	0	0	111.8	G37 A38 N332 A335 M336	G37-L40 PolarHBondContact O-N 3.49Å; G37-L40 VanDerWaalsContact O-N 3.08Å; A38-L40 VanDerWaalsContact C-N 3.26Å; A38-L40 PolarHBondContact O-N 3.07Å; L40-N332 HydrophobicContact CB-CB 4.49Å; L40-A335 HydrophobicContact CD1-CB 4.42Å; L40-M336 HydrophobicContact CB-CG 4.39Å; L40-M336 HydrophobicContact CB-SD 4.17Å; L40-M336 HydrophobicContact CD1-CG 3.44Å; L40-M336 VanDerWaalsContact CD1-CG 3.44Å; L40-M336 HydrophobicContact CD1-SD 4.3Å
41	I	69.3	Low	63.9	Low	24 Å²	24	50.6 Å²	50.6	12%	0.123	26%	0.256	C	S	.	.	H	α-helix	trans	-94.5	-46	178.5	-61.5	167.5	0	0	0	111.4	A38 M39 R43 E44 K45 T187 M194 M336	A38-I41 PolarHBondContact O-N 3.41Å; A38-I41 VanDerWaalsContact O-N 3.1Å; M39-I41 VanDerWaalsContact C-N 3.26Å; M39-I41 PolarHBondContact O-N 3.04Å; I41-R43 PolarHBondContact O-N 3.24Å; I41-E44 PolarHBondContact O-N 3.45Å; I41-K45 PolarHBondContact O-N 3.46Å; I41-K45 VanDerWaalsContact O-N 3.1Å; I41-T187 HydrophobicContact CG2-CG2 3.43Å; I41-T187 VanDerWaalsContact CG2-CG2 3.43Å; I41-M194 HydrophobicContact CD1-CE 3.61Å; I41-M194 HydrophobicContact CD1-SD 4.44Å; I41-M336 HydrophobicContact CD1-CE 4.03Å; I41-M336 HydrophobicContact CD1-SD 4.35Å; I41-M336 HydrophobicContact CG1-SD 4.49Å
42	V	67.4	Low	61.4	Low	11 Å²	11	56.8 Å²	56.8	7%	0.067	28%	0.279	C	S	.	.	H	α-helix	trans	-59.8	-30.3	175.8	167.2	0	0	0	0	110.7	A38 F46 W191	A38-V42 HydrophobicContact CB-CG2 4.21Å; A38-V42 WeakPolarHBondContact O-CB 3.4Å; A38-V42 WeakPolarHBondContact O-CG2 3.38Å; A38-V42 PolarHBondContact O-N 3.25Å; V42-F46 HydrophobicContact CB-CD2 4.32Å; V42-F46 HydrophobicContact CG1-CD2 3.65Å; V42-F46 HydrophobicContact CG1-CE2 4.21Å; V42-F46 HydrophobicContact CG1-CG 4.43Å; V42-F46 WeakPolarHBondContact O-CB 3.34Å; V42-F46 PolarHBondContact O-N 3.44Å; V42-W191 HydrophobicContact CG2-CB 4.24Å; V42-W191 HydrophobicContact CG2-CD2 4.46Å; V42-W191 HydrophobicContact CG2-CG 4.2Å
43	R	62	Low	59.2	Low	105 Å²	105	57.6 Å²	57.6	40%	0.396	28%	0.283	S	S	.	.	H	α-helix	trans	-55.9	-54.8	169.8	-179	170.9	-170.3	179	3.2	110	M39 I41 Q47 F71	M39-R43 WeakPolarHBondContact O-CB 3.48Å; M39-R43 PolarHBondContact O-N 3.37Å; I41-R43 PolarHBondContact O-N 3.24Å; R43-Q47 HydrophobicContact CG-CG 4.08Å; R43-Q47 WeakPolarHBondContact O-CA 3.36Å; R43-Q47 VanDerWaalsContact O-CB 3.24Å; R43-Q47 WeakPolarHBondContact O-CB 3.14Å; R43-Q47 WeakPolarHBondContact O-CG 3.4Å; R43-Q47 PolarHBondContact O-N 2.91Å; R43-F71 HydrophobicContact CB-CE1 4.38Å; R43-F71 HydrophobicContact CB-CZ 4.48Å; R43-F71 HydrophobicContact CG-CE1 4.26Å; R43-F71 HydrophobicContact CG-CZ 3.88Å
44	E	57.1	Low	57.1	Low	132 Å²	132	64.1 Å²	64.1	62%	0.617	31%	0.31	S	S	*	.	H	α-helix	trans	-66.1	-42.7	-176.7	-69.4	169.8	-169.2	0	0	112.3	I41 N332	I41-E44 PolarHBondContact O-N 3.45Å; E44-N332 PolarHBondContact OE1-ND2 3.18Å; E44-N332 VanDerWaalsContact OE1-ND2 3.13Å
45	K	60.3	Low	55	Low	84 Å²	84	67.7 Å²	67.7	37%	0.365	34%	0.335	S	S	.	.	H	α-helix	trans	-71.6	-35.9	-179.9	-171.7	175.4	-178.8	-177.2	0	114.5	I41 D188	I41-K45 PolarHBondContact O-N 3.46Å; I41-K45 VanDerWaalsContact O-N 3.1Å; K45-D188 VanDerWaalsContact CE-OD1 3.32Å; K45-D188 WeakPolarHBondContact CE-OD1 3.35Å; K45-D188 IonicContact NZ-OD1 3.8Å; K45-D188 PolarHBondContact NZ-OD1 3.17Å; K45-D188 IonicContact NZ-OD2 3.76Å; K45-D188 PolarHBondContact NZ-OD2 3.5Å
46	F	61.5	Low	53.2	Low	63 Å²	63	69.2 Å²	69.2	28%	0.276	35%	0.349	S	S	.	.	H	α-helix	trans	-104.7	15	179.3	-62.9	-93.1	0	0	0	112.8	V42 L48 K122 W191	V42-F46 HydrophobicContact CB-CD2 4.32Å; V42-F46 HydrophobicContact CG1-CD2 3.65Å; V42-F46 HydrophobicContact CG1-CE2 4.21Å; V42-F46 HydrophobicContact CG1-CG 4.43Å; V42-F46 WeakPolarHBondContact O-CB 3.34Å; V42-F46 PolarHBondContact O-N 3.44Å; F46-L48 PolarHBondContact O-N 3.38Å; F46-K122 HydrophobicContact CD1-CB 4.49Å; F46-W191 HydrophobicContact CE2-CZ2 4.39Å; F46-W191 HydrophobicContact CZ-CZ2 4.39Å
47	Q	51.9	Low	51.7	Low	84 Å²	84	72.9 Å²	72.9	39%	0.393	37%	0.367	S	S	.	.	S	Bend	trans	-65.3	86.1	161.7	-85.9	-110	39.9	0	0	107.9	R43 S49	R43-Q47 HydrophobicContact CG-CG 4.08Å; R43-Q47 WeakPolarHBondContact O-CA 3.36Å; R43-Q47 VanDerWaalsContact O-CB 3.24Å; R43-Q47 WeakPolarHBondContact O-CB 3.14Å; R43-Q47 WeakPolarHBondContact O-CG 3.4Å; R43-Q47 PolarHBondContact O-N 2.91Å; Q47-S49 PolarHBondContact O-N 3.38Å; Q47-S49 VanDerWaalsContact O-N 3.09Å
48	L	44.7	Very low	50.6	Low	56 Å²	56	81.7 Å²	81.7	29%	0.293	40%	0.403	S	S	.	.			trans	28.7	73.6	154	-60.5	-178.2	0	0	0	114.4	F46 N50 W52	F46-L48 PolarHBondContact O-N 3.38Å; L48-N50 VanDerWaalsContact C-N 3.29Å; L48-N50 PolarHBondContact O-N 3Å; L48-W52 HydrophobicContact CD1-CB 4.32Å; L48-W52 HydrophobicContact CD2-CB 3.92Å; L48-W52 HydrophobicContact CD2-CG 4.15Å
49	S	38.6	Very low	49.4	Very low	96 Å²	96	86 Å²	86	67%	0.671	43%	0.425	S	S	*	.			trans	-50.3	95.9	153.6	56.9	0	0	0	0	109.7	Q47 Q51	Q47-S49 PolarHBondContact O-N 3.38Å; Q47-S49 VanDerWaalsContact O-N 3.09Å; S49-Q51 PolarHBondContact O-N 3.46Å
50	N	36.1	Very low	48.2	Very low	131 Å²	131	88.3 Å²	88.3	70%	0.701	44%	0.444	S	S	*	.	S	Bend	trans	38.9	10.7	159.2	-61.9	-10.7	0	0	0	121	L48	L48-N50 VanDerWaalsContact C-N 3.29Å; L48-N50 PolarHBondContact O-N 3Å
51	Q	35.9	Very low	47	Very low	149 Å²	149	94.8 Å²	94.8	70%	0.696	48%	0.479	S	S	*	.	S	Bend	trans	-117.2	-10.3	-170.8	-72.4	-167.9	-33.5	0	0	115.3	S49	S49-Q51 PolarHBondContact O-N 3.46Å
52	W	35.2	Very low	45.5	Very low	130 Å²	130	98.3 Å²	98.3	49%	0.492	50%	0.497	S	S	.	.	S	Bend	trans	-119.1	-18.8	177.3	-68.1	80.5	0	0	0	113.9	L48 S55 A56	L48-W52 HydrophobicContact CD1-CB 4.32Å; L48-W52 HydrophobicContact CD2-CB 3.92Å; L48-W52 HydrophobicContact CD2-CG 4.15Å; W52-S55 PolarHBondContact O-N 3.41Å; W52-A56 PolarHBondContact O-N 3.42Å
53	Q	38.4	Very low	44.2	Very low	49 Å²	49	105.6 Å²	105.6	23%	0.229	52%	0.524	C	S	.	.	H	α-helix	trans	-70.7	-33.2	175.5	-81.6	174	-58.3	0	0	112.8	S55 A56 N57 G454	Q53-S55 VanDerWaalsContact C-N 3.33Å; Q53-S55 PolarHBondContact O-N 2.88Å; Q53-A56 PolarHBondContact O-N 2.99Å; Q53-N57 WeakPolarHBondContact O-CB 3.49Å; Q53-N57 PolarHBondContact O-N 3.47Å; Q53-N57 PolarHBondContact O-ND2 2.98Å; Q53-G454 PolarHBondContact NE2-O 3.16Å
54	E	38	Very low	43.2	Very low	153 Å²	153	106.8 Å²	106.8	72%	0.715	54%	0.536	S	S	*	.	H	α-helix	trans	-61.8	-40	172.9	-68.4	-169.8	132.6	0	0	112.2
55	S	39.1	Very low	42.8	Very low	75 Å²	75	103 Å²	103	52%	0.524	53%	0.525	S	S	.	.	H	α-helix	trans	-70.8	-37.4	175.2	-62.2	0	0	0	0	112.7	W52 Q53 K58	W52-S55 PolarHBondContact O-N 3.41Å; Q53-S55 VanDerWaalsContact C-N 3.33Å; Q53-S55 PolarHBondContact O-N 2.88Å; S55-K58 PolarHBondContact O-N 3.46Å
56	A	38.7	Very low	42.2	Very low	39 Å²	39	103.3 Å²	103.3	32%	0.322	53%	0.53	S	S	.	.	H	α-helix	trans	-69.6	-31.3	177.8	0	0	0	0	0	113	W52 Q53 K58 I59	W52-A56 PolarHBondContact O-N 3.42Å; Q53-A56 PolarHBondContact O-N 2.99Å; A56-K58 PolarHBondContact O-N 3.11Å; A56-I59 PolarHBondContact O-N 3.26Å
57	N	39.8	Very low	41.6	Very low	93 Å²	93	103.9 Å²	103.9	50%	0.497	53%	0.533	S	S	.	.	H	α-helix	trans	-65.2	-22.4	178.4	-84.9	-28.2	0	0	0	113.8	Q53 I59	Q53-N57 WeakPolarHBondContact O-CB 3.49Å; Q53-N57 PolarHBondContact O-N 3.47Å; Q53-N57 PolarHBondContact O-ND2 2.98Å; N57-I59 VanDerWaalsContact C-N 3.33Å; N57-I59 PolarHBondContact O-N 3.27Å
58	K	44.2	Very low	41.6	Very low	192 Å²	192	102.5 Å²	102.5	84%	0.835	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-11.3	175.1	-94.7	-180	174.6	175.4	0	115	S55 A56	S55-K58 PolarHBondContact O-N 3.46Å; A56-K58 PolarHBondContact O-N 3.11Å
59	I	46.9	Very low	42.3	Very low	93 Å²	93	103.1 Å²	103.1	48%	0.477	54%	0.537	S	S	.	.			trans	-121.2	73.3	-178.1	-47	-178.3	0	0	0	109.6	A56 N57 N61 L62	A56-I59 PolarHBondContact O-N 3.26Å; N57-I59 VanDerWaalsContact C-N 3.33Å; N57-I59 PolarHBondContact O-N 3.27Å; I59-N61 PolarHBondContact O-N 2.98Å; I59-N61 VanDerWaalsContact O-N 3.12Å; I59-L62 HydrophobicContact CG2-CB 3.69Å; I59-L62 PolarHBondContact O-N 3.44Å; I59-L62 VanDerWaalsContact O-N 3.14Å
60	S	42.5	Very low	43.3	Very low	76 Å²	76	102 Å²	102	53%	0.531	53%	0.529	S	S	.	.	G	3₁₀ helix	trans	-53.8	-31.5	-174.5	48	0	0	0	0	114.8
61	N	40.3	Very low	44.4	Very low	155 Å²	155	98.8 Å²	98.8	83%	0.829	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-91.9	-0.8	-176.3	-66	-16.2	0	0	0	114.8	I59	I59-N61 PolarHBondContact O-N 2.98Å; I59-N61 VanDerWaalsContact O-N 3.12Å
62	L	37.7	Very low	45.8	Very low	98 Å²	98	93 Å²	93	51%	0.513	48%	0.482	S	S	.	.	G	3₁₀ helix	trans	-115.9	15.9	178.8	-135.1	83.6	0	0	0	113.7	I59 I64 S65	I59-L62 HydrophobicContact CG2-CB 3.69Å; I59-L62 PolarHBondContact O-N 3.44Å; I59-L62 VanDerWaalsContact O-N 3.14Å; L62-I64 PolarHBondContact O-N 3.09Å; L62-S65 PolarHBondContact O-N 3.35Å
63	R	38.6	Very low	47.3	Very low	165 Å²	165	92.1 Å²	92.1	62%	0.623	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-16	-170.4	-77.8	-175.9	173	-168.7	0.4	116.1
64	I	41.1	Very low	48.8	Very low	129 Å²	129	91.3 Å²	91.3	66%	0.662	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-14.6	-175.2	-63.5	173.1	0	0	0	113	L62	L62-I64 PolarHBondContact O-N 3.09Å
65	S	49.8	Very low	50.2	Low	54 Å²	54	84.6 Å²	84.6	38%	0.378	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-47	-161.7	-167.4	0	0	0	0	116.6	L62 Q67 T68 V69	L62-S65 PolarHBondContact O-N 3.35Å; S65-Q67 PolarHBondContact O-N 3.23Å; S65-T68 PolarHBondContact O-N 2.86Å; S65-V69 WeakPolarHBondContact O-CG2 3.36Å; S65-V69 PolarHBondContact O-N 3.43Å
66	L	46.6	Very low	52.1	Low	90 Å²	90	81.3 Å²	81.3	47%	0.471	43%	0.43	S	S	.	.	H	α-helix	trans	-62.4	-37.9	-162.4	-98.8	134.7	0	0	0	115.6	S70	L66-S70 WeakPolarHBondContact O-CB 3.11Å; L66-S70 PolarHBondContact O-N 3.45Å; L66-S70 VanDerWaalsContact O-N 3.17Å; L66-S70 PolarHBondContact O-OG 3.33Å
67	Q	49.8	Very low	54.2	Low	74 Å²	74	80 Å²	80	35%	0.346	42%	0.418	S	S	.	.	H	α-helix	trans	-70	-45.8	179.8	-172.7	160.1	14.3	0	0	110.7	S65 S70 F71	S65-Q67 PolarHBondContact O-N 3.23Å; Q67-S70 PolarHBondContact O-N 2.68Å; Q67-F71 HydrophobicContact CG-CD2 4.2Å; Q67-F71 HydrophobicContact CG-CE2 3.64Å; Q67-F71 WeakPolarHBondContact O-CD2 3.3Å; Q67-F71 PolarHBondContact O-N 2.96Å
68	T	52	Low	56.4	Low	56 Å²	56	75.8 Å²	75.8	34%	0.344	40%	0.396	S	S	.	.	H	α-helix	trans	-61.3	-45.4	177	-51	0	0	0	0	112.4	S65 S70 F71 Q72 L557	S65-T68 PolarHBondContact O-N 2.86Å; T68-S70 PolarHBondContact O-N 3.24Å; T68-F71 PolarHBondContact O-N 3.47Å; T68-Q72 WeakPolarHBondContact O-CG 3.44Å; T68-Q72 PolarHBondContact O-N 3.45Å; T68-L557 HydrophobicContact CG2-CD2 3.55Å
69	V	59	Low	58.3	Low	68 Å²	68	67.3 Å²	67.3	41%	0.412	36%	0.36	S	S	.	.	H	α-helix	trans	-63.6	-40	178.5	170.6	0	0	0	0	111.7	S65 F71 Q72 L73	S65-V69 WeakPolarHBondContact O-CG2 3.36Å; S65-V69 PolarHBondContact O-N 3.43Å; V69-F71 VanDerWaalsContact C-N 3.31Å; V69-F71 PolarHBondContact O-N 3.26Å; V69-Q72 PolarHBondContact O-N 2.89Å; V69-L73 WeakPolarHBondContact O-CB 3.48Å; V69-L73 PolarHBondContact O-N 3.01Å
70	S	58.9	Low	60.3	Low	73 Å²	73	69.8 Å²	69.8	51%	0.51	37%	0.368	S	S	.	.	H	α-helix	trans	-62	-38	177.8	-60.5	0	0	0	0	112.3	L66 Q67 T68 L74	L66-S70 WeakPolarHBondContact O-CB 3.11Å; L66-S70 PolarHBondContact O-N 3.45Å; L66-S70 VanDerWaalsContact O-N 3.17Å; L66-S70 PolarHBondContact O-OG 3.33Å; Q67-S70 PolarHBondContact O-N 2.68Å; T68-S70 PolarHBondContact O-N 3.24Å; S70-L74 PolarHBondContact O-N 3.35Å
71	F	60.5	Low	62.6	Low	63 Å²	63	66.7 Å²	66.7	28%	0.276	35%	0.347	S	S	.	.	H	α-helix	trans	-70.9	-42.3	175	-71.3	-59.4	0	0	0	112.5	R43 Q67 T68 V69 L73 L74 V75	R43-F71 HydrophobicContact CB-CE1 4.38Å; R43-F71 HydrophobicContact CB-CZ 4.48Å; R43-F71 HydrophobicContact CG-CE1 4.26Å; R43-F71 HydrophobicContact CG-CZ 3.88Å; Q67-F71 HydrophobicContact CG-CD2 4.2Å; Q67-F71 HydrophobicContact CG-CE2 3.64Å; Q67-F71 WeakPolarHBondContact O-CD2 3.3Å; Q67-F71 PolarHBondContact O-N 2.96Å; T68-F71 PolarHBondContact O-N 3.47Å; V69-F71 VanDerWaalsContact C-N 3.31Å; V69-F71 PolarHBondContact O-N 3.26Å; F71-L73 VanDerWaalsContact C-N 3.33Å; F71-L73 PolarHBondContact O-N 3.18Å; F71-L74 PolarHBondContact O-N 3.33Å; F71-V75 PolarHBondContact O-N 3.06Å
72	Q	64.8	Low	65	Low	27 Å²	27	59.3 Å²	59.3	13%	0.126	31%	0.307	C	S	.	.	H	α-helix	trans	-58.7	-44	174.6	-72.9	173.9	-24	0	0	111.7	T68 V69 L74 V75 S76	T68-Q72 WeakPolarHBondContact O-CG 3.44Å; T68-Q72 PolarHBondContact O-N 3.45Å; V69-Q72 PolarHBondContact O-N 2.89Å; Q72-L74 VanDerWaalsContact C-N 3.34Å; Q72-L74 PolarHBondContact O-N 2.96Å; Q72-V75 PolarHBondContact O-N 2.98Å; Q72-S76 WeakPolarHBondContact O-CB 3.4Å; Q72-S76 PolarHBondContact O-N 3.11Å; Q72-S76 PolarHBondContact O-OG 3.25Å
73	L	67.5	Low	67.4	Low	113 Å²	113	55 Å²	55	59%	0.592	29%	0.285	S	S	*	.	H	α-helix	trans	-61.4	-40	-179.8	-160.3	82.9	0	0	0	112.5	V69 F71 S77	V69-L73 WeakPolarHBondContact O-CB 3.48Å; V69-L73 PolarHBondContact O-N 3.01Å; F71-L73 VanDerWaalsContact C-N 3.33Å; F71-L73 PolarHBondContact O-N 3.18Å; L73-S77 WeakPolarHBondContact O-CB 3.43Å; L73-S77 PolarHBondContact O-N 3.22Å
74	L	69.2	Low	69.9	Low	31 Å²	31	50 Å²	50	16%	0.162	28%	0.275	C	S	.	.	H	α-helix	trans	-64.3	-42.1	178	-173.7	64.9	0	0	0	111.5	L35 S70 F71 Q72 S77	L35-L74 HydrophobicContact CD1-CD2 4.13Å; L35-L74 HydrophobicContact CD1-CG 4.32Å; L35-L74 HydrophobicContact CD2-CG 4.09Å; L35-L74 WeakPolarHBondContact CD2-O 3.27Å; S70-L74 PolarHBondContact O-N 3.35Å; F71-L74 PolarHBondContact O-N 3.33Å; Q72-L74 VanDerWaalsContact C-N 3.34Å; Q72-L74 PolarHBondContact O-N 2.96Å; L74-S77 PolarHBondContact O-OG 3.22Å
75	V	67.7	Low	72.4	Confident	12 Å²	12	44.6 Å²	44.6	7%	0.073	25%	0.249	C	C	.	.	H	α-helix	trans	-66.1	-49	176.6	178.7	0	0	0	0	111.7	L35 M39 F71 Q72 S77 F318	L35-V75 HydrophobicContact CD2-CB 4.3Å; L35-V75 HydrophobicContact CD2-CG2 3.97Å; M39-V75 HydrophobicContact CE-CG2 3.48Å; M39-V75 VanDerWaalsContact CE-CG2 3.48Å; M39-V75 HydrophobicContact SD-CG2 3.36Å; M39-V75 WeakPolarHBondContact SD-CG2 3.2Å; F71-V75 PolarHBondContact O-N 3.06Å; Q72-V75 PolarHBondContact O-N 2.98Å; V75-S77 VanDerWaalsContact C-N 3.29Å; V75-S77 PolarHBondContact O-N 3.41Å; V75-F318 HydrophobicContact CG1-CD2 4.12Å
76	S	78.3	Confident	74.4	Confident	7 Å²	7	42 Å²	42	5%	0.049	23%	0.231	C	C	.	.	H	α-helix	trans	-74.8	-14.7	-176.8	-60.7	0	0	0	0	113.7	Q72 T78 V79 F80 L554	Q72-S76 WeakPolarHBondContact O-CB 3.4Å; Q72-S76 PolarHBondContact O-N 3.11Å; Q72-S76 PolarHBondContact O-OG 3.25Å; S76-T78 PolarHBondContact O-N 3.02Å; S76-V79 PolarHBondContact O-N 3.15Å; S76-V79 VanDerWaalsContact O-N 3.12Å; S76-F80 VanDerWaalsContact O-CB 3.26Å; S76-F80 WeakPolarHBondContact O-CB 3.47Å; S76-F80 PolarHBondContact O-N 2.99Å; S76-L554 WeakPolarHBondContact OG-CD2 3.32Å
77	S	83.1	Confident	76.4	Confident	10 Å²	10	41.5 Å²	41.5	7%	0.07	23%	0.228	C	C	.	.	H	α-helix	trans	-52.2	-47.7	-175.5	62.6	0	0	0	0	114.5	L73 L74 V75 F80 A81	L73-S77 WeakPolarHBondContact O-CB 3.43Å; L73-S77 PolarHBondContact O-N 3.22Å; L74-S77 PolarHBondContact O-OG 3.22Å; V75-S77 VanDerWaalsContact C-N 3.29Å; V75-S77 PolarHBondContact O-N 3.41Å; S77-F80 PolarHBondContact O-N 3.34Å; S77-A81 PolarHBondContact O-N 3.39Å; S77-A81 VanDerWaalsContact O-N 3.08Å
78	T	85.1	Confident	78.3	Confident	5 Å²	5	43.6 Å²	43.6	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-63.8	-43	178.6	-51.3	0	0	0	0	111.6	S76 A82 R129 G133 L136	S76-T78 PolarHBondContact O-N 3.02Å; T78-A82 WeakPolarHBondContact O-CB 3.43Å; T78-A82 PolarHBondContact O-N 3.06Å; T78-R129 PolarHBondContact OG1-NH1 2.7Å; T78-G133 VanDerWaalsContact O-CA 3.26Å; T78-G133 WeakPolarHBondContact O-CA 3.46Å; T78-L136 HydrophobicContact CG2-CD1 4.21Å
79	V	85.8	Confident	80.2	Confident	14 Å²	14	41 Å²	41	9%	0.085	22%	0.221	C	C	.	.	H	α-helix	trans	-70.1	-41	-179.2	-174.9	0	0	0	0	110.8	S76 A82 A83 F318 I546 C549 L550	S76-V79 PolarHBondContact O-N 3.15Å; S76-V79 VanDerWaalsContact O-N 3.12Å; V79-A82 PolarHBondContact O-N 3.28Å; V79-A83 PolarHBondContact O-N 3.4Å; V79-F318 HydrophobicContact CG2-CE2 4.14Å; V79-I546 HydrophobicContact CG1-CG2 3.6Å; V79-I546 WeakPolarHBondContact CG1-O 3.31Å; V79-I546 VanDerWaalsContact O-CG2 3.28Å; V79-I546 WeakPolarHBondContact O-CG2 3.14Å; V79-C549 HydrophobicContact CG1-CB 4.18Å; V79-L550 HydrophobicContact CG1-CB 3.93Å
80	F	88.2	Confident	81.5	Confident	145 Å²	145	37.8 Å²	37.8	64%	0.636	20%	0.201	S	C	*	.	H	α-helix	trans	-61.7	-42.1	177	-177.5	-92.4	0	0	0	112.1	S76 S77 P84 L550	S76-F80 VanDerWaalsContact O-CB 3.26Å; S76-F80 WeakPolarHBondContact O-CB 3.47Å; S76-F80 PolarHBondContact O-N 2.99Å; S77-F80 PolarHBondContact O-N 3.34Å; F80-P84 WeakPolarHBondContact O-CD 3.4Å; F80-L550 HydrophobicContact CB-CD1 4.5Å; F80-L550 HydrophobicContact CD2-CD2 4.21Å
81	A	90.6	Very high	82.8	Confident	11 Å²	11	42.2 Å²	42.2	9%	0.091	21%	0.206	C	C	.	.	H	α-helix	trans	-71.1	-32.5	173.5	0	0	0	0	0	113.4	S77 P84 I130	S77-A81 PolarHBondContact O-N 3.39Å; S77-A81 VanDerWaalsContact O-N 3.08Å; A81-P84 WeakPolarHBondContact O-CD 3.46Å; A81-P84 WeakPolarHBondContact O-CG 3.27Å; A81-I130 HydrophobicContact CB-CB 4.43Å; A81-I130 HydrophobicContact CB-CG2 4.14Å
82	A	90.9	Very high	84.2	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-72.4	-32.9	-179.4	0	0	0	0	0	113.9	T78 V79 A85 T86 G133 L136 I546	T78-A82 WeakPolarHBondContact O-CB 3.43Å; T78-A82 PolarHBondContact O-N 3.06Å; V79-A82 PolarHBondContact O-N 3.28Å; A82-A85 PolarHBondContact O-N 3.08Å; A82-T86 PolarHBondContact O-N 3.38Å; A82-G133 WeakPolarHBondContact CA-O 3.4Å; A82-G133 WeakPolarHBondContact CB-O 3.33Å; A82-L136 HydrophobicContact CB-CD2 3.67Å; A82-I546 HydrophobicContact CB-CD1 3.69Å; A82-I546 HydrophobicContact CB-CG2 4Å
83	A	88.6	Confident	85.3	Confident	7 Å²	7	40.4 Å²	40.4	6%	0.058	20%	0.2	C	C	.	.	H	α-helix	trans	-55.5	-58.2	179.9	0	0	0	0	0	112.9	V79 A85 T86 F543 I546	V79-A83 PolarHBondContact O-N 3.4Å; A83-A85 VanDerWaalsContact C-N 3.31Å; A83-A85 PolarHBondContact O-N 3.08Å; A83-T86 PolarHBondContact O-N 3.16Å; A83-T86 PolarHBondContact O-OG1 3.07Å; A83-F543 HydrophobicContact CB-CD2 4.47Å; A83-F543 HydrophobicContact CB-CE2 4.37Å; A83-F543 WeakPolarHBondContact O-CD2 3.19Å; A83-I546 HydrophobicContact CB-CG2 3.95Å
84	P	91.4	Very high	86.1	Confident	62 Å²	62	37 Å²	37	40%	0.403	18%	0.182	S	C	.	.	H	α-helix	trans	-62.8	-36.6	176.7	25.8	-33.6	0	0	0	112.2	F80 A81 T86 L87 F88	F80-P84 WeakPolarHBondContact O-CD 3.4Å; A81-P84 WeakPolarHBondContact O-CD 3.46Å; A81-P84 WeakPolarHBondContact O-CG 3.27Å; P84-T86 PolarHBondContact O-N 3.17Å; P84-L87 WeakPolarHBondContact O-CB 3.37Å; P84-L87 PolarHBondContact O-N 2.79Å; P84-L87 VanDerWaalsContact O-N 3.16Å; P84-F88 HydrophobicContact CB-CE2 4.45Å; P84-F88 WeakPolarHBondContact O-CD2 3.37Å; P84-F88 PolarHBondContact O-N 2.77Å
85	A	92.6	Very high	86.8	Confident	14 Å²	14	38.1 Å²	38.1	12%	0.116	20%	0.196	C	C	.	.	H	α-helix	trans	-59.8	-42.2	179	0	0	0	0	0	112.7	A82 A83 L87 F88 T89 I134	A82-A85 PolarHBondContact O-N 3.08Å; A83-A85 VanDerWaalsContact C-N 3.31Å; A83-A85 PolarHBondContact O-N 3.08Å; A85-L87 VanDerWaalsContact C-N 3.33Å; A85-L87 PolarHBondContact O-N 3.45Å; A85-F88 PolarHBondContact O-N 3.29Å; A85-T89 WeakPolarHBondContact O-CB 3.41Å; A85-T89 PolarHBondContact O-N 3.16Å; A85-T89 PolarHBondContact O-OG1 3.09Å; A85-I134 HydrophobicContact CB-CG2 4.48Å
86	T	92.2	Very high	87.6	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-58.6	-43	174.5	56.8	0	0	0	0	112.5	A82 A83 P84 F88 T89 G137 A141 S539 F543 I546	A82-T86 PolarHBondContact O-N 3.38Å; A83-T86 PolarHBondContact O-N 3.16Å; A83-T86 PolarHBondContact O-OG1 3.07Å; P84-T86 PolarHBondContact O-N 3.17Å; T86-F88 PolarHBondContact O-N 2.97Å; T86-T89 PolarHBondContact O-N 3.28Å; T86-G137 VanDerWaalsContact CG2-O 3.28Å; T86-G137 WeakPolarHBondContact CG2-O 3.37Å; T86-A141 HydrophobicContact CG2-CB 4.48Å; T86-S539 WeakPolarHBondContact O-CB 3.47Å; T86-F543 WeakPolarHBondContact OG1-CA 3.4Å; T86-I546 HydrophobicContact CG2-CD1 3.45Å; T86-I546 VanDerWaalsContact CG2-CD1 3.45Å; T86-I546 HydrophobicContact CG2-CG1 4.32Å
87	L	88.6	Confident	88	Confident	79 Å²	79	42.9 Å²	42.9	41%	0.414	22%	0.215	S	C	.	.	H	α-helix	trans	-63.4	-38.8	-174.6	-172.5	65.2	0	0	0	112.4	P84 A85 F543	P84-L87 WeakPolarHBondContact O-CB 3.37Å; P84-L87 PolarHBondContact O-N 2.79Å; P84-L87 VanDerWaalsContact O-N 3.16Å; A85-L87 VanDerWaalsContact C-N 3.33Å; A85-L87 PolarHBondContact O-N 3.45Å; L87-F543 HydrophobicContact CB-CD2 4.33Å; L87-F543 HydrophobicContact CD1-CG 4.5Å
88	F	90	Very high	88.2	Confident	119 Å²	119	42.8 Å²	42.8	52%	0.522	21%	0.214	S	C	.	.	H	α-helix	trans	-79.8	-23.7	177.4	-65.9	-68.3	0	0	0	113.8	P84 A85 T86 G90 R91 L92	P84-F88 HydrophobicContact CB-CE2 4.45Å; P84-F88 WeakPolarHBondContact O-CD2 3.37Å; P84-F88 PolarHBondContact O-N 2.77Å; A85-F88 PolarHBondContact O-N 3.29Å; T86-F88 PolarHBondContact O-N 2.97Å; F88-G90 VanDerWaalsContact C-N 3.32Å; F88-G90 PolarHBondContact O-N 3.17Å; F88-R91 PolarHBondContact O-N 2.54Å; F88-R91 VanDerWaalsContact O-N 3.11Å; F88-L92 PolarHBondContact O-N 3.14Å
89	T	90.9	Very high	88.4	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.006	22%	0.22	C	C	.	.	H	α-helix	trans	-62.9	-33.1	-170.3	-69.1	0	0	0	0	114.1	A85 T86 R91 L92 S93 T101 I138 A141 A142	A85-T89 WeakPolarHBondContact O-CB 3.41Å; A85-T89 PolarHBondContact O-N 3.16Å; A85-T89 PolarHBondContact O-OG1 3.09Å; T86-T89 PolarHBondContact O-N 3.28Å; T89-R91 VanDerWaalsContact C-N 3.32Å; T89-R91 PolarHBondContact O-N 3.23Å; T89-L92 PolarHBondContact O-N 3.42Å; T89-S93 WeakPolarHBondContact O-CB 3.27Å; T89-S93 PolarHBondContact O-N 3.02Å; T89-S93 PolarHBondContact O-OG 2.94Å; T89-T101 HydrophobicContact CG2-CG2 3.89Å; T89-I138 HydrophobicContact CG2-CG2 4.13Å; T89-I138 WeakPolarHBondContact OG1-CA 3.43Å; T89-A141 HydrophobicContact CG2-CB 3.54Å; T89-A142 HydrophobicContact CG2-CB 3.81Å
90	G	86.2	Confident	88.7	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.7	-39.1	176.4	0	0	0	0	0	112.5	F88 S93 D94 S539	F88-G90 VanDerWaalsContact C-N 3.32Å; F88-G90 PolarHBondContact O-N 3.17Å; G90-S93 PolarHBondContact O-N 3.48Å; G90-D94 VanDerWaalsContact O-CG 3.32Å; G90-D94 PolarHBondContact O-N 2.68Å; G90-D94 VanDerWaalsContact O-N 3.09Å; G90-S539 WeakPolarHBondContact CA-OG 3.31Å; G90-S539 PolarHBondContact N-OG 3.12Å
91	R	87.5	Confident	88.9	Confident	166 Å²	166	42.9 Å²	42.9	63%	0.626	21%	0.212	S	C	*	.	H	α-helix	trans	-65.9	-41	174	-73.5	-176.2	171.6	154.9	-2.7	111.8	F88 T89 S93 D94 A95 M536	F88-R91 PolarHBondContact O-N 2.54Å; F88-R91 VanDerWaalsContact O-N 3.11Å; T89-R91 VanDerWaalsContact C-N 3.32Å; T89-R91 PolarHBondContact O-N 3.23Å; R91-S93 VanDerWaalsContact C-N 3.34Å; R91-D94 PolarHBondContact O-N 2.67Å; R91-A95 VanDerWaalsContact O-CB 3.24Å; R91-A95 WeakPolarHBondContact O-CB 3.32Å; R91-A95 PolarHBondContact O-N 3.49Å; R91-M536 HydrophobicContact CG-CE 4Å; R91-M536 HydrophobicContact CG-SD 4.06Å
92	L	89.4	Confident	88.9	Confident	53 Å²	53	42.5 Å²	42.5	28%	0.277	21%	0.209	S	C	.	.	H	α-helix	trans	-61.6	-43	175	-64.9	174.3	0	0	0	111.5	F88 T89 D94 A95 F96 T101 L104	F88-L92 PolarHBondContact O-N 3.14Å; T89-L92 PolarHBondContact O-N 3.42Å; L92-D94 VanDerWaalsContact C-N 3.35Å; L92-D94 PolarHBondContact O-N 3.03Å; L92-A95 PolarHBondContact O-N 3.44Å; L92-F96 HydrophobicContact CD2-CD2 4.09Å; L92-F96 HydrophobicContact CD2-CE2 3.84Å; L92-F96 PolarHBondContact O-N 3.4Å; L92-T101 HydrophobicContact CB-CG2 4.12Å; L92-T101 PolarHBondContact O-OG1 3.46Å; L92-L104 HydrophobicContact CD1-CD2 4.42Å
93	S	87.7	Confident	88.9	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.2	-35.8	180	-59.6	0	0	0	0	113.1	T89 G90 R91 G97 R98 T101	T89-S93 WeakPolarHBondContact O-CB 3.27Å; T89-S93 PolarHBondContact O-N 3.02Å; T89-S93 PolarHBondContact O-OG 2.94Å; G90-S93 PolarHBondContact O-N 3.48Å; R91-S93 VanDerWaalsContact C-N 3.34Å; S93-G97 PolarHBondContact O-N 2.82Å; S93-R98 PolarHBondContact O-NE 3.46Å; S93-T101 WeakPolarHBondContact CA-OG1 3.35Å; S93-T101 PolarHBondContact N-OG1 3.27Å
94	D	83.3	Confident	89.1	Confident	40 Å²	40	47.2 Å²	47.2	21%	0.214	23%	0.233	C	C	.	.	H	α-helix	trans	-81.2	-33.8	178.5	-65.3	-22.6	0	0	0	111.8	G90 R91 L92 R98 W218 K222 S535	G90-D94 VanDerWaalsContact O-CG 3.32Å; G90-D94 PolarHBondContact O-N 2.68Å; G90-D94 VanDerWaalsContact O-N 3.09Å; R91-D94 PolarHBondContact O-N 2.67Å; L92-D94 VanDerWaalsContact C-N 3.35Å; L92-D94 PolarHBondContact O-N 3.03Å; D94-R98 IonicContact OD1-CZ 3.44Å; D94-R98 IonicContact OD1-NE 3.17Å; D94-R98 IonicContact OD1-NH2 3.66Å; D94-R98 PolarHBondContact OD1-NH2 3.2Å; D94-W218 PolarHBondContact O-NE1 3.15Å; D94-K222 PolarHBondContact O-NZ 3.47Å; D94-S535 VanDerWaalsContact OD1-CB 3.29Å; D94-S535 WeakPolarHBondContact OD1-CB 3.27Å; D94-S535 PolarHBondContact OD1-OG 3.2Å
95	A	84.4	Confident	89.1	Confident	55 Å²	55	44.3 Å²	44.3	46%	0.455	21%	0.214	S	C	.	.	H	α-helix	trans	-71.2	-59	177.5	0	0	0	0	0	112.7	R91 L92	R91-A95 VanDerWaalsContact O-CB 3.24Å; R91-A95 WeakPolarHBondContact O-CB 3.32Å; R91-A95 PolarHBondContact O-N 3.49Å; L92-A95 PolarHBondContact O-N 3.44Å
96	F	85.1	Confident	89.1	Confident	119 Å²	119	43.8 Å²	43.8	52%	0.522	21%	0.209	S	C	.	.	H	α-helix	trans	-95.6	-12.8	-167.6	-66.1	-68.9	0	0	0	115.2	L92 K100	L92-F96 HydrophobicContact CD2-CD2 4.09Å; L92-F96 HydrophobicContact CD2-CE2 3.84Å; L92-F96 PolarHBondContact O-N 3.4Å; F96-K100 HydrophobicContact CB-CB 4.22Å; F96-K100 HydrophobicContact CB-CD 4.49Å; F96-K100 WeakPolarHBondContact O-CD 3.24Å
97	G	85.4	Confident	89.1	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.226	C	C	.	.			trans	92.3	155.3	-169	0	0	0	0	0	111.7	S93 T101 E214	S93-G97 PolarHBondContact O-N 2.82Å; G97-T101 PolarHBondContact O-N 2.98Å; G97-T101 PolarHBondContact O-OG1 3.4Å; G97-T101 VanDerWaalsContact O-OG1 3.08Å; G97-E214 WeakPolarHBondContact CA-OE2 3.42Å
98	R	88.8	Confident	89.3	Confident	8 Å²	8	45.7 Å²	45.7	3%	0.03	22%	0.217	C	C	.	.	H	α-helix	trans	-77.4	-34.8	-168.4	-72.7	81.9	-166.9	-121	5.1	110.6	S93 D94 K100 T101 M102 Y146 E149 E214 S535	S93-R98 PolarHBondContact O-NE 3.46Å; D94-R98 IonicContact OD1-CZ 3.44Å; D94-R98 IonicContact OD1-NE 3.17Å; D94-R98 IonicContact OD1-NH2 3.66Å; D94-R98 PolarHBondContact OD1-NH2 3.2Å; R98-K100 VanDerWaalsContact C-N 3.34Å; R98-K100 PolarHBondContact O-N 3.11Å; R98-T101 PolarHBondContact O-N 3.37Å; R98-M102 WeakPolarHBondContact O-CG 3.18Å; R98-M102 PolarHBondContact O-N 3.18Å; R98-M102 VanDerWaalsContact O-N 3.17Å; R98-Y146 HydrophobicContact CB-CD2 3.78Å; R98-Y146 HydrophobicContact CB-CG 4.46Å; R98-E149 IonicContact CZ-OE1 3.97Å; R98-E149 IonicContact CZ-OE2 2.89Å; R98-E149 IonicContact NH1-OE1 2.91Å; R98-E149 PolarHBondContact NH1-OE1 3.31Å; R98-E149 IonicContact NH1-OE2 2.76Å; R98-E149 PolarHBondContact NH1-OE2 3.47Å; R98-E214 PolarHBondContact N-OE1 3.36Å; R98-E214 PolarHBondContact N-OE2 2.8Å; R98-S535 PolarHBondContact NH2-OG 3.46Å
99	K	89.6	Confident	89.3	Confident	36 Å²	36	40 Å²	40	16%	0.157	19%	0.192	C	C	.	.	H	α-helix	trans	-56.2	-45.4	173	179.3	177.1	178.9	171.1	0	112	M102 L103 Y209 P210 I212 E214	K99-M102 PolarHBondContact O-N 2.64Å; K99-L103 PolarHBondContact O-N 3.16Å; K99-Y209 HydrophobicContact CD-CE2 4.16Å; K99-Y209 VanDerWaalsContact CE-CZ 3.43Å; K99-Y209 VanDerWaalsContact CE-O 3.27Å; K99-Y209 WeakPolarHBondContact CE-O 3.35Å; K99-Y209 HydrophobicContact CG-CE2 3.72Å; K99-Y209 PolarHBondContact NZ-O 3.25Å; K99-P210 PolarHBondContact NZ-O 2.8Å; K99-I212 HydrophobicContact CD-CG2 4.49Å; K99-I212 VanDerWaalsContact CD-O 3.32Å; K99-I212 WeakPolarHBondContact CD-O 3.48Å; K99-I212 VanDerWaalsContact CE-O 3.27Å; K99-I212 WeakPolarHBondContact CE-O 3.49Å; K99-I212 PolarHBondContact NZ-O 3.02Å; K99-E214 VanDerWaalsContact CB-OE2 3.27Å; K99-E214 WeakPolarHBondContact CB-OE2 3.32Å; K99-E214 PolarHBondContact N-OE1 3.5Å; K99-E214 VanDerWaalsContact N-OE1 3.16Å; K99-E214 PolarHBondContact N-OE2 3.12Å
100	K	90.9	Very high	89.3	Confident	126 Å²	126	41.3 Å²	41.3	55%	0.548	20%	0.202	S	C	.	.	H	α-helix	trans	-70.9	-39.2	-178.3	-64.5	-168.5	-172.5	175.9	0	112.7	F96 R98 M102 L103 L104	F96-K100 HydrophobicContact CB-CB 4.22Å; F96-K100 HydrophobicContact CB-CD 4.49Å; F96-K100 WeakPolarHBondContact O-CD 3.24Å; R98-K100 VanDerWaalsContact C-N 3.34Å; R98-K100 PolarHBondContact O-N 3.11Å; K100-M102 VanDerWaalsContact C-N 3.27Å; K100-M102 PolarHBondContact O-N 3.47Å; K100-L103 PolarHBondContact O-N 3.33Å; K100-L104 PolarHBondContact O-N 2.98Å
101	T	92.5	Very high	89.6	Confident	4 Å²	4	45.5 Å²	45.5	3%	0.025	22%	0.223	C	C	.	.	H	α-helix	trans	-63.9	-33.5	177.2	-53.9	0	0	0	0	112.2	T89 L92 S93 G97 R98 L104 S105 I138 A142	T89-T101 HydrophobicContact CG2-CG2 3.89Å; L92-T101 HydrophobicContact CB-CG2 4.12Å; L92-T101 PolarHBondContact O-OG1 3.46Å; S93-T101 WeakPolarHBondContact CA-OG1 3.35Å; S93-T101 PolarHBondContact N-OG1 3.27Å; G97-T101 PolarHBondContact O-N 2.98Å; G97-T101 PolarHBondContact O-OG1 3.4Å; G97-T101 VanDerWaalsContact O-OG1 3.08Å; R98-T101 PolarHBondContact O-N 3.37Å; T101-L104 WeakPolarHBondContact O-CB 3.42Å; T101-S105 PolarHBondContact O-N 2.95Å; T101-I138 HydrophobicContact CG2-CG2 3.76Å; T101-I138 VanDerWaalsContact O-CG2 3.29Å; T101-I138 WeakPolarHBondContact O-CG2 3.07Å; T101-A142 HydrophobicContact CG2-CB 3.82Å
102	M	90.3	Very high	89.7	Confident	4 Å²	4	37.6 Å²	37.6	2%	0.02	19%	0.194	C	C	.	.	H	α-helix	trans	-72.9	-37.9	176.2	-69.1	164.7	45	0	0	113.3	I21 R98 K99 K100 L104 S105 W106 A142 I143 Y146	I21-M102 HydrophobicContact CB-CE 3.91Å; I21-M102 HydrophobicContact CD1-CE 3.77Å; I21-M102 HydrophobicContact CG1-CE 3.5Å; I21-M102 HydrophobicContact CG2-CE 3.35Å; I21-M102 HydrophobicContact CG2-SD 4.38Å; R98-M102 WeakPolarHBondContact O-CG 3.18Å; R98-M102 PolarHBondContact O-N 3.18Å; R98-M102 VanDerWaalsContact O-N 3.17Å; K99-M102 PolarHBondContact O-N 2.64Å; K100-M102 VanDerWaalsContact C-N 3.27Å; K100-M102 PolarHBondContact O-N 3.47Å; M102-L104 PolarHBondContact O-N 2.65Å; M102-S105 WeakPolarHBondContact O-CB 3.4Å; M102-S105 PolarHBondContact O-N 3.33Å; M102-S105 VanDerWaalsContact O-N 3.11Å; M102-W106 HydrophobicContact CE-CZ2 4.38Å; M102-W106 PolarHBondContact O-N 3.08Å; M102-A142 HydrophobicContact CG-CB 4.21Å; M102-I143 HydrophobicContact CE-CG1 4.39Å; M102-I143 HydrophobicContact CG-CG1 4.09Å; M102-I143 HydrophobicContact SD-CG1 4.25Å; M102-Y146 HydrophobicContact SD-CD2 4.15Å; M102-Y146 HydrophobicContact SD-CG 3.97Å
103	L	91.6	Very high	89.6	Confident	40 Å²	40	35.2 Å²	35.2	21%	0.209	18%	0.182	C	C	.	.	H	α-helix	trans	-56.4	-41.8	172.6	-179.7	68	0	0	0	111.6	K99 K100 S105 W106 I107 F206 Y209	K99-L103 PolarHBondContact O-N 3.16Å; K100-L103 PolarHBondContact O-N 3.33Å; L103-S105 VanDerWaalsContact C-N 3.3Å; L103-S105 PolarHBondContact O-N 3.39Å; L103-W106 HydrophobicContact CD1-CE3 4.41Å; L103-W106 PolarHBondContact O-N 3.37Å; L103-I107 HydrophobicContact CG-CD1 4.2Å; L103-I107 WeakPolarHBondContact O-CG1 3.43Å; L103-I107 PolarHBondContact O-N 3.1Å; L103-I107 VanDerWaalsContact O-N 3.12Å; L103-F206 HydrophobicContact CD1-CD1 3.99Å; L103-F206 HydrophobicContact CD1-CE1 3.63Å; L103-Y209 HydrophobicContact CB-CD2 4.42Å; L103-Y209 HydrophobicContact CB-CE2 3.91Å; L103-Y209 HydrophobicContact CD1-CD2 4.01Å; L103-Y209 HydrophobicContact CD1-CE2 4.09Å; L103-Y209 HydrophobicContact CD1-CG 4.3Å; L103-Y209 HydrophobicContact CD2-CE1 4.3Å; L103-Y209 HydrophobicContact CD2-CE2 4.04Å; L103-Y209 HydrophobicContact CG-CE2 4.23Å
104	L	92.6	Very high	89.7	Confident	65 Å²	65	40.5 Å²	40.5	34%	0.34	21%	0.209	S	C	.	.	H	α-helix	trans	-59.1	-40.2	177	-176	62.9	0	0	0	112.1	L92 K100 T101 M102 I107 F108 I138	L92-L104 HydrophobicContact CD1-CD2 4.42Å; K100-L104 PolarHBondContact O-N 2.98Å; T101-L104 WeakPolarHBondContact O-CB 3.42Å; M102-L104 PolarHBondContact O-N 2.65Å; L104-I107 PolarHBondContact O-N 3.43Å; L104-F108 HydrophobicContact CD1-CD2 4.17Å; L104-F108 HydrophobicContact CD1-CE2 3.68Å; L104-F108 HydrophobicContact CD2-CE2 4.44Å; L104-F108 HydrophobicContact CG-CD2 4.1Å; L104-F108 HydrophobicContact CG-CE2 3.84Å; L104-F108 VanDerWaalsContact O-CD2 3.24Å; L104-F108 WeakPolarHBondContact O-CD2 3.29Å; L104-F108 PolarHBondContact O-N 3.34Å; L104-I138 HydrophobicContact CD2-CD1 4.08Å; L104-I138 HydrophobicContact CG-CD1 4.13Å
105	S	92	Very high	90	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.007	21%	0.207	C	C	.	.	H	α-helix	trans	-61.1	-46.7	174.8	173.8	0	0	0	0	112.2	T101 M102 L103 I107 F108 F109 G135 A139	T101-S105 PolarHBondContact O-N 2.95Å; M102-S105 WeakPolarHBondContact O-CB 3.4Å; M102-S105 PolarHBondContact O-N 3.33Å; M102-S105 VanDerWaalsContact O-N 3.11Å; L103-S105 VanDerWaalsContact C-N 3.3Å; L103-S105 PolarHBondContact O-N 3.39Å; S105-I107 VanDerWaalsContact C-N 3.3Å; S105-I107 PolarHBondContact O-N 3.29Å; S105-F108 PolarHBondContact O-N 2.85Å; S105-F109 WeakPolarHBondContact O-CD2 3.42Å; S105-F109 PolarHBondContact O-N 2.83Å; S105-G135 PolarHBondContact OG-O 3.11Å; S105-A139 WeakPolarHBondContact OG-CB 3.45Å
106	W	91.9	Very high	90	Very high	3 Å²	3	37 Å²	37	1%	0.011	19%	0.186	C	C	.	.	H	α-helix	trans	-62.8	-35	-180	-60.9	-19.5	0	0	0	112.8	T24 M102 L103 F109 A110 I202 Q205 F206 Y209 I212	T24-W106 VanDerWaalsContact CG2-NE1 3.35Å; T24-W106 PolarHBondContact OG1-NE1 3.32Å; M102-W106 HydrophobicContact CE-CZ2 4.38Å; M102-W106 PolarHBondContact O-N 3.08Å; L103-W106 HydrophobicContact CD1-CE3 4.41Å; L103-W106 PolarHBondContact O-N 3.37Å; W106-F109 PolarHBondContact O-N 3.5Å; W106-A110 WeakPolarHBondContact O-CB 3.46Å; W106-A110 PolarHBondContact O-N 3.32Å; W106-I202 HydrophobicContact CB-CG2 4.27Å; W106-Q205 HydrophobicContact CD2-CB 3.95Å; W106-Q205 HydrophobicContact CE3-CB 3.91Å; W106-Q205 HydrophobicContact CH2-CB 3.93Å; W106-Q205 HydrophobicContact CZ2-CB 3.95Å; W106-Q205 HydrophobicContact CZ2-CG 4.27Å; W106-Q205 HydrophobicContact CZ3-CB 3.9Å; W106-Q205 WeakPolarHBondContact CZ3-O 3.17Å; W106-F206 HydrophobicContact CB-CE1 4.42Å; W106-F206 HydrophobicContact CB-CE2 4.24Å; W106-F206 HydrophobicContact CB-CZ 3.94Å; W106-Y209 HydrophobicContact CZ3-CD2 4.16Å; W106-I212 HydrophobicContact CH2-CD1 4.04Å
107	I	93	Very high	89.9	Confident	69 Å²	69	32.8 Å²	32.8	35%	0.354	17%	0.171	S	C	.	.	H	α-helix	trans	-62.7	-49.7	173.2	-66.4	165.9	0	0	0	110.8	L103 L104 S105 F109 A110 I111 F206	L103-I107 HydrophobicContact CG-CD1 4.2Å; L103-I107 WeakPolarHBondContact O-CG1 3.43Å; L103-I107 PolarHBondContact O-N 3.1Å; L103-I107 VanDerWaalsContact O-N 3.12Å; L104-I107 PolarHBondContact O-N 3.43Å; S105-I107 VanDerWaalsContact C-N 3.3Å; S105-I107 PolarHBondContact O-N 3.29Å; I107-F109 VanDerWaalsContact C-N 3.31Å; I107-F109 PolarHBondContact O-N 2.91Å; I107-A110 PolarHBondContact O-N 3.4Å; I107-I111 HydrophobicContact CG2-CD1 3.77Å; I107-I111 WeakPolarHBondContact O-CG1 3.33Å; I107-I111 PolarHBondContact O-N 3.02Å; I107-I111 VanDerWaalsContact O-N 3.07Å; I107-F206 HydrophobicContact CG1-CE1 4.1Å; I107-F206 HydrophobicContact CG1-CZ 3.89Å
108	F	93.3	Very high	90	Very high	51 Å²	51	37 Å²	37	22%	0.224	20%	0.197	C	C	.	.	H	α-helix	trans	-61.3	-38.9	177.4	-81.7	-65.2	0	0	0	112.8	L104 S105 G112 L131 I134 I138	L104-F108 HydrophobicContact CD1-CD2 4.17Å; L104-F108 HydrophobicContact CD1-CE2 3.68Å; L104-F108 HydrophobicContact CD2-CE2 4.44Å; L104-F108 HydrophobicContact CG-CD2 4.1Å; L104-F108 HydrophobicContact CG-CE2 3.84Å; L104-F108 VanDerWaalsContact O-CD2 3.24Å; L104-F108 WeakPolarHBondContact O-CD2 3.29Å; L104-F108 PolarHBondContact O-N 3.34Å; S105-F108 PolarHBondContact O-N 2.85Å; F108-G112 PolarHBondContact O-N 3.05Å; F108-L131 HydrophobicContact CD1-CD2 3.87Å; F108-L131 HydrophobicContact CE1-CD2 4Å; F108-I134 HydrophobicContact CD1-CB 4.29Å; F108-I134 HydrophobicContact CD1-CG2 4Å; F108-I134 HydrophobicContact CD2-CG2 3.71Å; F108-I134 HydrophobicContact CE1-CD1 4.44Å; F108-I134 HydrophobicContact CE1-CG2 4.01Å; F108-I134 HydrophobicContact CE2-CG2 3.71Å; F108-I134 HydrophobicContact CG-CB 4.35Å; F108-I134 HydrophobicContact CG-CG2 3.87Å; F108-I134 HydrophobicContact CZ-CG2 3.87Å; F108-I138 HydrophobicContact CD2-CD1 3.91Å; F108-I138 HydrophobicContact CE2-CD1 4.07Å
109	F	89.7	Confident	89.8	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.6	-44.7	174.4	-89.1	-64.2	0	0	0	112.9	P27 I28 S105 W106 I107 A113 L132 G135 L136 A139 I202	P27-F109 HydrophobicContact CB-CD1 4.02Å; P27-F109 HydrophobicContact CB-CE1 4.22Å; P27-F109 HydrophobicContact CB-CG 4.4Å; I28-F109 HydrophobicContact CB-CZ 4.3Å; I28-F109 HydrophobicContact CG1-CE1 4.5Å; I28-F109 HydrophobicContact CG1-CE2 3.95Å; I28-F109 HydrophobicContact CG1-CZ 3.5Å; S105-F109 WeakPolarHBondContact O-CD2 3.42Å; S105-F109 PolarHBondContact O-N 2.83Å; W106-F109 PolarHBondContact O-N 3.5Å; I107-F109 VanDerWaalsContact C-N 3.31Å; I107-F109 PolarHBondContact O-N 2.91Å; F109-A113 VanDerWaalsContact O-CB 3.27Å; F109-A113 WeakPolarHBondContact O-CB 3.44Å; F109-A113 PolarHBondContact O-N 3.13Å; F109-L132 HydrophobicContact CD1-CD2 3.75Å; F109-L132 HydrophobicContact CE1-CD2 4.31Å; F109-G135 WeakPolarHBondContact CE2-O 3.05Å; F109-L136 HydrophobicContact CZ-CB 3.87Å; F109-A139 HydrophobicContact CE2-CB 4.3Å; F109-I202 HydrophobicContact CB-CD1 3.7Å; F109-I202 HydrophobicContact CB-CG1 4.36Å
110	A	89.7	Confident	89.3	Confident	27 Å²	27	41 Å²	41	22%	0.223	22%	0.22	C	C	.	.	H	α-helix	trans	-62.8	-48.7	178.6	0	0	0	0	0	112.1	W106 I107 A113 I114 I202 F206	W106-A110 WeakPolarHBondContact O-CB 3.46Å; W106-A110 PolarHBondContact O-N 3.32Å; I107-A110 PolarHBondContact O-N 3.4Å; A110-A113 PolarHBondContact O-N 3.21Å; A110-I114 WeakPolarHBondContact O-CD1 3.41Å; A110-I114 VanDerWaalsContact O-CG1 3.32Å; A110-I114 WeakPolarHBondContact O-CG1 3.28Å; A110-I114 PolarHBondContact O-N 3.23Å; A110-I202 HydrophobicContact CB-CG2 4.22Å; A110-F206 HydrophobicContact CB-CE2 4.38Å
111	I	92.3	Very high	88.8	Confident	88 Å²	88	37.9 Å²	37.9	45%	0.451	21%	0.212	S	C	.	.	H	α-helix	trans	-66.4	-44.5	-178.7	-57.6	167.8	0	0	0	110.6	I107 A113 I114 A115 L131	I107-I111 HydrophobicContact CG2-CD1 3.77Å; I107-I111 WeakPolarHBondContact O-CG1 3.33Å; I107-I111 PolarHBondContact O-N 3.02Å; I107-I111 VanDerWaalsContact O-N 3.07Å; I111-A113 VanDerWaalsContact C-N 3.33Å; I111-A113 PolarHBondContact O-N 3.27Å; I111-I114 PolarHBondContact O-N 3.01Å; I111-A115 WeakPolarHBondContact O-CB 3.44Å; I111-A115 PolarHBondContact O-N 2.93Å; I111-L131 HydrophobicContact CG2-CD1 3.81Å
112	G	90.2	Very high	87.8	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.1	-37.3	179.5	0	0	0	0	0	113.3	F108 C116	F108-G112 PolarHBondContact O-N 3.05Å; G112-C116 PolarHBondContact O-N 3.19Å; G112-C116 PolarHBondContact O-SG 2.87Å; G112-C116 VanDerWaalsContact O-SG 3.38Å
113	A	87.6	Confident	87.4	Confident	4 Å²	4	48.4 Å²	48.4	3%	0.033	26%	0.255	C	S	.	.	H	α-helix	trans	-64.3	-45.8	174.2	0	0	0	0	0	113.1	F109 A110 I111 C116 S117 S199	F109-A113 VanDerWaalsContact O-CB 3.27Å; F109-A113 WeakPolarHBondContact O-CB 3.44Å; F109-A113 PolarHBondContact O-N 3.13Å; A110-A113 PolarHBondContact O-N 3.21Å; I111-A113 VanDerWaalsContact C-N 3.33Å; I111-A113 PolarHBondContact O-N 3.27Å; A113-C116 PolarHBondContact O-N 3.32Å; A113-S117 PolarHBondContact O-N 2.84Å; A113-S199 WeakPolarHBondContact CB-OG 3.25Å
114	I	88.8	Confident	87.1	Confident	110 Å²	110	49.3 Å²	49.3	56%	0.564	26%	0.262	S	S	*	.	H	α-helix	trans	-63.1	-43.4	177.5	-66.3	164.6	0	0	0	110.3	A110 I111 C116 S117 V118	A110-I114 WeakPolarHBondContact O-CD1 3.41Å; A110-I114 VanDerWaalsContact O-CG1 3.32Å; A110-I114 WeakPolarHBondContact O-CG1 3.28Å; A110-I114 PolarHBondContact O-N 3.23Å; I111-I114 PolarHBondContact O-N 3.01Å; I114-C116 VanDerWaalsContact C-N 3.34Å; I114-C116 PolarHBondContact O-N 3.23Å; I114-S117 PolarHBondContact O-N 3.33Å; I114-S117 PolarHBondContact O-OG 3.13Å; I114-V118 HydrophobicContact CG2-CG2 4.44Å; I114-V118 WeakPolarHBondContact O-CG2 3.46Å; I114-V118 PolarHBondContact O-N 2.98Å; I114-V118 VanDerWaalsContact O-N 3.1Å
115	A	89.8	Confident	86.6	Confident	22 Å²	22	46.6 Å²	46.6	18%	0.182	25%	0.247	C	C	.	.	H	α-helix	trans	-60.1	-42.5	176.1	0	0	0	0	0	112.3	I111 A119	I111-A115 WeakPolarHBondContact O-CB 3.44Å; I111-A115 PolarHBondContact O-N 2.93Å; A115-A119 PolarHBondContact O-N 3.42Å; A115-A119 VanDerWaalsContact O-N 3.13Å
116	C	86	Confident	86.2	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.3	-37	176.6	-77	0	0	0	0	113.6	G112 A113 I114 L125 L195	G112-C116 PolarHBondContact O-N 3.19Å; G112-C116 PolarHBondContact O-SG 2.87Å; G112-C116 VanDerWaalsContact O-SG 3.38Å; A113-C116 PolarHBondContact O-N 3.32Å; I114-C116 VanDerWaalsContact C-N 3.34Å; I114-C116 PolarHBondContact O-N 3.23Å; C116-L125 HydrophobicContact CB-CD1 4.48Å; C116-L195 HydrophobicContact CB-CB 4.08Å; C116-L195 HydrophobicContact CB-CD1 4.13Å
117	S	82.9	Confident	86.1	Confident	31 Å²	31	51.2 Å²	51.2	22%	0.217	28%	0.279	C	S	.	.	H	α-helix	trans	-75.5	-33.5	-179.4	67.7	0	0	0	0	113.2	A113 I114 R192	A113-S117 PolarHBondContact O-N 2.84Å; I114-S117 PolarHBondContact O-N 3.33Å; I114-S117 PolarHBondContact O-OG 3.13Å; S117-R192 PolarHBondContact O-NH1 3.45Å
118	V	87	Confident	85.9	Confident	88 Å²	88	48 Å²	48	53%	0.533	26%	0.262	S	S	.	.	H	α-helix	trans	-87.2	-12.8	-179.1	-177.8	0	0	0	0	112.6	I114 N120 R192	I114-V118 HydrophobicContact CG2-CG2 4.44Å; I114-V118 WeakPolarHBondContact O-CG2 3.46Å; I114-V118 PolarHBondContact O-N 2.98Å; I114-V118 VanDerWaalsContact O-N 3.1Å; V118-N120 PolarHBondContact O-N 2.81Å; V118-N120 VanDerWaalsContact O-N 3.12Å; V118-N120 PolarHBondContact O-OD1 3.37Å; V118-R192 PolarHBondContact O-NH1 3.47Å
119	A	83.6	Confident	85.6	Confident	2 Å²	2	45.7 Å²	45.7	2%	0.017	25%	0.252	C	S	.	.			trans	-47.1	113.8	-173.1	0	0	0	0	0	115.5	A115 V124 L125 W191 R192	A115-A119 PolarHBondContact O-N 3.42Å; A115-A119 VanDerWaalsContact O-N 3.13Å; A119-V124 HydrophobicContact CB-CB 4.08Å; A119-V124 HydrophobicContact CB-CG1 3.96Å; A119-L125 HydrophobicContact CB-CB 3.95Å; A119-W191 HydrophobicContact CB-CH2 4.19Å; A119-W191 HydrophobicContact CB-CZ3 4.47Å; A119-W191 VanDerWaalsContact O-CH2 3.29Å; A119-W191 WeakPolarHBondContact O-CH2 3.05Å; A119-R192 VanDerWaalsContact O-CZ 3.28Å; A119-R192 PolarHBondContact O-NH1 3.14Å; A119-R192 PolarHBondContact O-NH2 3.35Å
120	N	80.3	Confident	85.7	Confident	125 Å²	125	49.1 Å²	49.1	67%	0.668	27%	0.27	S	S	*	.			trans	-98.3	-9.8	172.7	-67.6	-25	0	0	0	112.8	V118 R192	V118-N120 PolarHBondContact O-N 2.81Å; V118-N120 VanDerWaalsContact O-N 3.12Å; V118-N120 PolarHBondContact O-OD1 3.37Å; N120-R192 PolarHBondContact OD1-NH1 3.4Å; N120-R192 PolarHBondContact OD1-NH2 3.33Å
121	T	79.6	Confident	85.9	Confident	61 Å²	61	50 Å²	50	37%	0.374	27%	0.271	S	S	.	.	S	Bend	trans	-138	159	179.5	72.4	0	0	0	0	110.9	Y123 V124 L125	T121-Y123 PolarHBondContact O-N 3.04Å; T121-Y123 VanDerWaalsContact O-N 3.14Å; T121-Y123 PolarHBondContact OG1-N 2.88Å; T121-V124 PolarHBondContact O-N 3.48Å; T121-V124 PolarHBondContact OG1-N 3.23Å; T121-L125 PolarHBondContact O-N 3.08Å
122	K	72.7	Confident	85.8	Confident	87 Å²	87	45.9 Å²	45.9	38%	0.378	25%	0.249	S	C	.	.	H	α-helix	trans	-54.9	-29.3	173.2	64.8	-178.1	-178.3	178.6	0	113.3	F46 L126	F46-K122 HydrophobicContact CD1-CB 4.49Å; K122-L126 WeakPolarHBondContact O-CB 3.49Å; K122-L126 PolarHBondContact O-N 3.34Å
123	Y	80.4	Confident	85.8	Confident	143 Å²	143	45.9 Å²	45.9	56%	0.561	25%	0.249	S	C	*	.	H	α-helix	trans	-74.2	-40.9	-179.6	-56.1	-67.9	0	0	0	112.7	T121 L125 L126 A127	T121-Y123 PolarHBondContact O-N 3.04Å; T121-Y123 VanDerWaalsContact O-N 3.14Å; T121-Y123 PolarHBondContact OG1-N 2.88Å; Y123-L125 VanDerWaalsContact C-N 3.34Å; Y123-L126 PolarHBondContact O-N 3.38Å; Y123-A127 WeakPolarHBondContact O-CB 3.25Å; Y123-A127 PolarHBondContact O-N 2.95Å
124	V	86.5	Confident	86.1	Confident	59 Å²	59	47.9 Å²	47.9	36%	0.358	26%	0.259	S	S	.	.	H	α-helix	trans	-66.7	-39.7	175.8	-179.3	0	0	0	0	110.5	A119 T121 A127 G128	A119-V124 HydrophobicContact CB-CB 4.08Å; A119-V124 HydrophobicContact CB-CG1 3.96Å; T121-V124 PolarHBondContact O-N 3.48Å; T121-V124 PolarHBondContact OG1-N 3.23Å; V124-A127 PolarHBondContact O-N 2.69Å; V124-G128 PolarHBondContact O-N 3.42Å
125	L	82.3	Confident	86.3	Confident	7 Å²	7	42.7 Å²	42.7	4%	0.037	23%	0.232	C	C	.	.	H	α-helix	trans	-62.2	-43.4	174.1	-178.1	61.3	0	0	0	112.1	C116 A119 T121 Y123 G128 R129 L195	C116-L125 HydrophobicContact CB-CD1 4.48Å; A119-L125 HydrophobicContact CB-CB 3.95Å; T121-L125 PolarHBondContact O-N 3.08Å; Y123-L125 VanDerWaalsContact C-N 3.34Å; L125-G128 PolarHBondContact O-N 2.7Å; L125-R129 WeakPolarHBondContact O-CG 3.32Å; L125-R129 PolarHBondContact O-N 3.02Å; L125-L195 HydrophobicContact CD1-CD1 3.56Å
126	L	83.7	Confident	86.4	Confident	53 Å²	53	42.2 Å²	42.2	28%	0.277	23%	0.226	S	C	.	.	H	α-helix	trans	-64.4	-43.6	176.4	-177.8	63.5	0	0	0	111.9	K122 Y123 R129 I130	K122-L126 WeakPolarHBondContact O-CB 3.49Å; K122-L126 PolarHBondContact O-N 3.34Å; Y123-L126 PolarHBondContact O-N 3.38Å; L126-R129 PolarHBondContact O-N 3.35Å; L126-I130 HydrophobicContact CG-CD1 4.15Å; L126-I130 WeakPolarHBondContact O-CG1 3.33Å; L126-I130 PolarHBondContact O-N 3.35Å
127	A	88.3	Confident	86.7	Confident	49 Å²	49	42.2 Å²	42.2	41%	0.405	23%	0.226	S	C	.	.	H	α-helix	trans	-61.5	-43.5	176.3	0	0	0	0	0	111.9	Y123 V124 R129 I130 L131	Y123-A127 WeakPolarHBondContact O-CB 3.25Å; Y123-A127 PolarHBondContact O-N 2.95Å; V124-A127 PolarHBondContact O-N 2.69Å; A127-R129 VanDerWaalsContact C-N 3.34Å; A127-R129 PolarHBondContact O-N 3.29Å; A127-I130 PolarHBondContact O-N 3.46Å; A127-L131 WeakPolarHBondContact O-CG 3.48Å; A127-L131 PolarHBondContact O-N 3.25Å; A127-L131 VanDerWaalsContact O-N 3.07Å
128	G	89	Confident	87.2	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-57.8	-44.4	173.1	0	0	0	0	0	112.5	V124 L125 I130 L131 L132	V124-G128 PolarHBondContact O-N 3.42Å; L125-G128 PolarHBondContact O-N 2.7Å; G128-I130 PolarHBondContact O-N 3.45Å; G128-L131 PolarHBondContact O-N 3.21Å; G128-L132 VanDerWaalsContact O-CG 3.27Å; G128-L132 WeakPolarHBondContact O-CG 3.41Å; G128-L132 PolarHBondContact O-N 3.4Å
129	R	88.2	Confident	87.4	Confident	3 Å²	3	36.8 Å²	36.8	1%	0.011	19%	0.192	C	C	.	.	H	α-helix	trans	-64.3	-36.9	176.2	-75	-172.8	167.2	-74.6	-19.3	114.2	T78 L125 L126 A127 L132 G133	T78-R129 PolarHBondContact OG1-NH1 2.7Å; L125-R129 WeakPolarHBondContact O-CG 3.32Å; L125-R129 PolarHBondContact O-N 3.02Å; L126-R129 PolarHBondContact O-N 3.35Å; A127-R129 VanDerWaalsContact C-N 3.34Å; A127-R129 PolarHBondContact O-N 3.29Å; R129-L132 PolarHBondContact O-N 3.43Å; R129-G133 PolarHBondContact O-N 3.36Å
130	I	91	Very high	87.8	Confident	73 Å²	73	36.9 Å²	36.9	37%	0.374	19%	0.192	S	C	.	.	H	α-helix	trans	-63.6	-45.9	174.3	-71.3	165.8	0	0	0	110.5	A81 L126 A127 G128 G133 I134	A81-I130 HydrophobicContact CB-CB 4.43Å; A81-I130 HydrophobicContact CB-CG2 4.14Å; L126-I130 HydrophobicContact CG-CD1 4.15Å; L126-I130 WeakPolarHBondContact O-CG1 3.33Å; L126-I130 PolarHBondContact O-N 3.35Å; A127-I130 PolarHBondContact O-N 3.46Å; G128-I130 PolarHBondContact O-N 3.45Å; I130-G133 PolarHBondContact O-N 3.21Å; I130-G133 VanDerWaalsContact O-N 3.15Å; I130-I134 HydrophobicContact CG2-CD1 4.24Å; I130-I134 WeakPolarHBondContact O-CG1 3.48Å; I130-I134 PolarHBondContact O-N 3.2Å
131	L	92.9	Very high	88.4	Confident	46 Å²	46	30.9 Å²	30.9	24%	0.241	16%	0.161	C	C	.	.	H	α-helix	trans	-63.1	-43	177.4	-67.3	170.2	0	0	0	112.1	F108 I111 A127 G128 G133 I134 G135	F108-L131 HydrophobicContact CD1-CD2 3.87Å; F108-L131 HydrophobicContact CE1-CD2 4Å; I111-L131 HydrophobicContact CG2-CD1 3.81Å; A127-L131 WeakPolarHBondContact O-CG 3.48Å; A127-L131 PolarHBondContact O-N 3.25Å; A127-L131 VanDerWaalsContact O-N 3.07Å; G128-L131 PolarHBondContact O-N 3.21Å; L131-G133 VanDerWaalsContact C-N 3.3Å; L131-G133 PolarHBondContact O-N 3.07Å; L131-I134 PolarHBondContact O-N 3.25Å; L131-G135 PolarHBondContact O-N 3.39Å
132	L	91.1	Very high	89	Confident	1 Å²	1	28 Å²	28	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-59.2	-40.6	172.2	-69.1	167.1	0	0	0	111.7	H31 F109 G128 R129 G135 L136	H31-L132 HydrophobicContact CB-CD1 4.05Å; H31-L132 HydrophobicContact CB-CD2 4.24Å; H31-L132 HydrophobicContact CB-CG 4.49Å; H31-L132 WeakPolarHBondContact ND1-CD1 3.22Å; F109-L132 HydrophobicContact CD1-CD2 3.75Å; F109-L132 HydrophobicContact CE1-CD2 4.31Å; G128-L132 VanDerWaalsContact O-CG 3.27Å; G128-L132 WeakPolarHBondContact O-CG 3.41Å; G128-L132 PolarHBondContact O-N 3.4Å; R129-L132 PolarHBondContact O-N 3.43Å; L132-G135 PolarHBondContact O-N 3.27Å; L132-L136 VanDerWaalsContact O-CB 3.24Å; L132-L136 WeakPolarHBondContact O-CB 3.34Å; L132-L136 PolarHBondContact O-N 3.12Å
133	G	90.7	Very high	89.9	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.9	-42.9	175.1	0	0	0	0	0	113.2	T78 A82 R129 I130 L131 L136 G137	T78-G133 VanDerWaalsContact O-CA 3.26Å; T78-G133 WeakPolarHBondContact O-CA 3.46Å; A82-G133 WeakPolarHBondContact CA-O 3.4Å; A82-G133 WeakPolarHBondContact CB-O 3.33Å; R129-G133 PolarHBondContact O-N 3.36Å; I130-G133 PolarHBondContact O-N 3.21Å; I130-G133 VanDerWaalsContact O-N 3.15Å; L131-G133 VanDerWaalsContact C-N 3.3Å; L131-G133 PolarHBondContact O-N 3.07Å; G133-L136 WeakPolarHBondContact O-CB 3.47Å; G133-L136 PolarHBondContact O-N 3.38Å; G133-G137 PolarHBondContact O-N 3.44Å
134	I	93.7	Very high	90.3	Very high	46 Å²	46	17.2 Å²	17.2	24%	0.236	10%	0.099	C	C	.	.	H	α-helix	trans	-62.3	-48	175.2	-65.2	165.4	0	0	0	110.4	A85 F108 I130 L131 L136 G137 I138	A85-I134 HydrophobicContact CB-CG2 4.48Å; F108-I134 HydrophobicContact CD1-CB 4.29Å; F108-I134 HydrophobicContact CD1-CG2 4Å; F108-I134 HydrophobicContact CD2-CG2 3.71Å; F108-I134 HydrophobicContact CE1-CD1 4.44Å; F108-I134 HydrophobicContact CE1-CG2 4.01Å; F108-I134 HydrophobicContact CE2-CG2 3.71Å; F108-I134 HydrophobicContact CG-CB 4.35Å; F108-I134 HydrophobicContact CG-CG2 3.87Å; F108-I134 HydrophobicContact CZ-CG2 3.87Å; I130-I134 HydrophobicContact CG2-CD1 4.24Å; I130-I134 WeakPolarHBondContact O-CG1 3.48Å; I130-I134 PolarHBondContact O-N 3.2Å; L131-I134 PolarHBondContact O-N 3.25Å; I134-L136 VanDerWaalsContact C-N 3.31Å; I134-L136 PolarHBondContact O-N 3.22Å; I134-G137 PolarHBondContact O-N 3.21Å; I134-I138 HydrophobicContact CG2-CD1 3.89Å; I134-I138 WeakPolarHBondContact O-CG1 3.39Å; I134-I138 PolarHBondContact O-N 3.34Å; I134-I138 VanDerWaalsContact O-N 3.11Å
135	G	92	Very high	90.4	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-56.9	-44.4	176.6	0	0	0	0	0	112.6	S105 F109 L131 L132 I138 A139	S105-G135 PolarHBondContact OG-O 3.11Å; F109-G135 WeakPolarHBondContact CE2-O 3.05Å; L131-G135 PolarHBondContact O-N 3.39Å; L132-G135 PolarHBondContact O-N 3.27Å; G135-I138 PolarHBondContact O-N 3.5Å; G135-A139 PolarHBondContact O-N 3.09Å
136	L	92.2	Very high	90.8	Very high	12 Å²	12	14.1 Å²	14.1	6%	0.063	8%	0.08	C	C	.	.	H	α-helix	trans	-60.9	-49.9	177	-175.9	160.6	0	0	0	112.3	I28 I32 T78 A82 F109 L132 G133 I134 I138 A139 C140 I546	I28-L136 HydrophobicContact CG1-CG 4.39Å; I28-L136 HydrophobicContact CG2-CD1 3.96Å; I28-L136 HydrophobicContact CG2-CG 3.83Å; I32-L136 HydrophobicContact CD1-CD1 3.81Å; I32-L136 HydrophobicContact CG1-CD1 3.61Å; T78-L136 HydrophobicContact CG2-CD1 4.21Å; A82-L136 HydrophobicContact CB-CD2 3.67Å; F109-L136 HydrophobicContact CZ-CB 3.87Å; L132-L136 VanDerWaalsContact O-CB 3.24Å; L132-L136 WeakPolarHBondContact O-CB 3.34Å; L132-L136 PolarHBondContact O-N 3.12Å; G133-L136 WeakPolarHBondContact O-CB 3.47Å; G133-L136 PolarHBondContact O-N 3.38Å; I134-L136 VanDerWaalsContact C-N 3.31Å; I134-L136 PolarHBondContact O-N 3.22Å; L136-I138 VanDerWaalsContact C-N 3.29Å; L136-I138 PolarHBondContact O-N 2.97Å; L136-A139 PolarHBondContact O-N 3.11Å; L136-C140 PolarHBondContact O-N 3.21Å; L136-C140 PolarHBondContact O-SG 3.02Å; L136-C140 VanDerWaalsContact O-SG 3.4Å; L136-I546 HydrophobicContact CD2-CD1 3.76Å
137	G	91.9	Very high	91.1	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-61.8	-37.6	-179.8	0	0	0	0	0	112.6	T86 G133 I134 A141	T86-G137 VanDerWaalsContact CG2-O 3.28Å; T86-G137 WeakPolarHBondContact CG2-O 3.37Å; G133-G137 PolarHBondContact O-N 3.44Å; I134-G137 PolarHBondContact O-N 3.21Å; G137-A141 PolarHBondContact O-N 3.15Å
138	I	94.1	Very high	91	Very high	6 Å²	6	9.3 Å²	9.3	3%	0.031	5%	0.048	C	C	.	.	H	α-helix	trans	-67.8	-44.2	175.1	-61.5	166.5	0	0	0	111.1	T89 T101 L104 F108 I134 G135 L136 A141 A142	T89-I138 HydrophobicContact CG2-CG2 4.13Å; T89-I138 WeakPolarHBondContact OG1-CA 3.43Å; T101-I138 HydrophobicContact CG2-CG2 3.76Å; T101-I138 VanDerWaalsContact O-CG2 3.29Å; T101-I138 WeakPolarHBondContact O-CG2 3.07Å; L104-I138 HydrophobicContact CD2-CD1 4.08Å; L104-I138 HydrophobicContact CG-CD1 4.13Å; F108-I138 HydrophobicContact CD2-CD1 3.91Å; F108-I138 HydrophobicContact CE2-CD1 4.07Å; I134-I138 HydrophobicContact CG2-CD1 3.89Å; I134-I138 WeakPolarHBondContact O-CG1 3.39Å; I134-I138 PolarHBondContact O-N 3.34Å; I134-I138 VanDerWaalsContact O-N 3.11Å; G135-I138 PolarHBondContact O-N 3.5Å; L136-I138 VanDerWaalsContact C-N 3.29Å; L136-I138 PolarHBondContact O-N 2.97Å; I138-A141 PolarHBondContact O-N 3.33Å; I138-A142 VanDerWaalsContact O-CB 3.25Å; I138-A142 WeakPolarHBondContact O-CB 3.08Å; I138-A142 PolarHBondContact O-N 3.39Å
139	A	92.1	Very high	90.7	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-60.8	-51	179.7	0	0	0	0	0	112.4	T24 I28 S105 F109 G135 L136 A141 A142 I143	T24-A139 HydrophobicContact CG2-CB 3.97Å; I28-A139 HydrophobicContact CD1-CB 3.57Å; I28-A139 HydrophobicContact CG1-CB 4.2Å; S105-A139 WeakPolarHBondContact OG-CB 3.45Å; F109-A139 HydrophobicContact CE2-CB 4.3Å; G135-A139 PolarHBondContact O-N 3.09Å; L136-A139 PolarHBondContact O-N 3.11Å; A139-A141 VanDerWaalsContact C-N 3.27Å; A139-A141 PolarHBondContact O-N 2.99Å; A139-A142 PolarHBondContact O-N 3.46Å; A139-I143 HydrophobicContact CB-CD1 3.87Å; A139-I143 WeakPolarHBondContact O-CB 3.46Å; A139-I143 WeakPolarHBondContact O-CG1 3.44Å; A139-I143 PolarHBondContact O-N 3.37Å
140	C	91.3	Very high	90.4	Very high	3 Å²	3	11.8 Å²	11.8	2%	0.02	6%	0.06	C	C	.	.	H	α-helix	trans	-58.9	-35.6	-178	-70.7	0	0	0	0	113.2	L136 P144 W522 N538	L136-C140 PolarHBondContact O-N 3.21Å; L136-C140 PolarHBondContact O-SG 3.02Å; L136-C140 VanDerWaalsContact O-SG 3.4Å; C140-P144 WeakPolarHBondContact O-CD 3.26Å; C140-P144 WeakPolarHBondContact O-CG 3.05Å; C140-W522 HydrophobicContact CB-CH2 3.75Å; C140-W522 HydrophobicContact CB-CZ3 3.86Å; C140-N538 PolarHBondContact O-ND2 3.16Å
141	A	92.2	Very high	89.9	Confident	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-86.5	-33.4	-179.1	0	0	0	0	0	114	T86 T89 G137 I138 A139 P145 N538	T86-A141 HydrophobicContact CG2-CB 4.48Å; T89-A141 HydrophobicContact CG2-CB 3.54Å; G137-A141 PolarHBondContact O-N 3.15Å; I138-A141 PolarHBondContact O-N 3.33Å; A139-A141 VanDerWaalsContact C-N 3.27Å; A139-A141 PolarHBondContact O-N 2.99Å; A141-P145 WeakPolarHBondContact O-CD 3.29Å; A141-P145 WeakPolarHBondContact O-CG 3.47Å; A141-N538 PolarHBondContact O-ND2 2.98Å
142	A	91.9	Very high	89.1	Confident	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-88.7	-33.7	-175.3	0	0	0	0	0	114.8	T89 T101 M102 I138 A139 P145 Y146	T89-A142 HydrophobicContact CG2-CB 3.81Å; T101-A142 HydrophobicContact CG2-CB 3.82Å; M102-A142 HydrophobicContact CG-CB 4.21Å; I138-A142 VanDerWaalsContact O-CB 3.25Å; I138-A142 WeakPolarHBondContact O-CB 3.08Å; I138-A142 PolarHBondContact O-N 3.39Å; A139-A142 PolarHBondContact O-N 3.46Å; A142-P145 WeakPolarHBondContact O-CD 3.13Å; A142-Y146 PolarHBondContact O-N 3.38Å
143	I	91.8	Very high	88.1	Confident	1 Å²	1	13.5 Å²	13.5	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-71.6	-48	-172.3	-67	171.8	0	0	0	113	I21 T24 M102 A139 Y146 L147 F163	I21-I143 HydrophobicContact CG2-CG2 3.99Å; T24-I143 VanDerWaalsContact CB-CD1 3.48Å; T24-I143 HydrophobicContact CG2-CD1 3.78Å; M102-I143 HydrophobicContact CE-CG1 4.39Å; M102-I143 HydrophobicContact CG-CG1 4.09Å; M102-I143 HydrophobicContact SD-CG1 4.25Å; A139-I143 HydrophobicContact CB-CD1 3.87Å; A139-I143 WeakPolarHBondContact O-CB 3.46Å; A139-I143 WeakPolarHBondContact O-CG1 3.44Å; A139-I143 PolarHBondContact O-N 3.37Å; I143-Y146 PolarHBondContact O-N 3.26Å; I143-Y146 VanDerWaalsContact O-N 3.14Å; I143-L147 HydrophobicContact CG2-CD1 3.62Å; I143-L147 HydrophobicContact CG2-CG 3.89Å; I143-L147 WeakPolarHBondContact O-CG 3.25Å; I143-L147 PolarHBondContact O-N 3.45Å; I143-F163 HydrophobicContact CB-CE2 4.37Å; I143-F163 HydrophobicContact CD1-CD2 4.21Å; I143-F163 HydrophobicContact CD1-CE2 3.64Å; I143-F163 HydrophobicContact CD1-CZ 4.29Å; I143-F163 HydrophobicContact CG2-CD2 3.94Å; I143-F163 HydrophobicContact CG2-CE2 4.23Å; I143-F163 HydrophobicContact CG2-CG 4.19Å
144	P	90	Very high	87.3	Confident	3 Å²	3	15.3 Å²	15.3	2%	0.019	8%	0.075	C	C	.	.	H	α-helix	trans	-59.5	-38.9	-178.3	-21	31.6	0	0	0	114.3	C140 T148 W522	C140-P144 WeakPolarHBondContact O-CD 3.26Å; C140-P144 WeakPolarHBondContact O-CG 3.05Å; P144-T148 WeakPolarHBondContact O-CB 3.19Å; P144-T148 PolarHBondContact O-N 3.4Å; P144-T148 PolarHBondContact O-OG1 3.04Å; P144-W522 HydrophobicContact CG-CE3 4.23Å
145	P	89	Confident	86.6	Confident	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-61	-46.4	170.7	-27.1	36.4	0	0	0	113.9	A141 A142 L147 T148 E149 R534 N538	A141-P145 WeakPolarHBondContact O-CD 3.29Å; A141-P145 WeakPolarHBondContact O-CG 3.47Å; A142-P145 WeakPolarHBondContact O-CD 3.13Å; P145-L147 PolarHBondContact O-N 3.14Å; P145-T148 WeakPolarHBondContact O-CB 3.5Å; P145-T148 PolarHBondContact O-N 3.04Å; P145-E149 WeakPolarHBondContact O-CG 3.43Å; P145-E149 PolarHBondContact O-N 3.21Å; P145-E149 VanDerWaalsContact O-N 3.1Å; P145-R534 HydrophobicContact CB-CG 4.06Å; P145-R534 HydrophobicContact CG-CG 4.31Å; P145-N538 HydrophobicContact CG-CB 3.92Å
146	Y	90.2	Very high	86.2	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-59.4	-48.8	177.1	-179.7	-78.7	0	0	0	111	L18 I21 R98 M102 A142 I143 T148 E149 M150 I212 P213	L18-Y146 HydrophobicContact CD2-CE1 4.42Å; I21-Y146 HydrophobicContact CD1-CD1 3.68Å; I21-Y146 HydrophobicContact CD1-CE1 3.06Å; I21-Y146 HydrophobicContact CD1-CE2 4.32Å; I21-Y146 VanDerWaalsContact CD1-CZ 3.43Å; I21-Y146 HydrophobicContact CG1-CE1 4.46Å; I21-Y146 HydrophobicContact CG2-CD1 4.32Å; R98-Y146 HydrophobicContact CB-CD2 3.78Å; R98-Y146 HydrophobicContact CB-CG 4.46Å; M102-Y146 HydrophobicContact SD-CD2 4.15Å; M102-Y146 HydrophobicContact SD-CG 3.97Å; A142-Y146 PolarHBondContact O-N 3.38Å; I143-Y146 PolarHBondContact O-N 3.26Å; I143-Y146 VanDerWaalsContact O-N 3.14Å; Y146-T148 VanDerWaalsContact C-N 3.28Å; Y146-T148 PolarHBondContact O-N 3.27Å; Y146-E149 PolarHBondContact O-N 3.49Å; Y146-M150 HydrophobicContact CD1-CG 4.02Å; Y146-M150 HydrophobicContact CE1-CB 4.15Å; Y146-M150 HydrophobicContact CE1-CG 3.5Å; Y146-M150 HydrophobicContact CE2-CG 4.18Å; Y146-M150 WeakPolarHBondContact O-CB 3.47Å; Y146-M150 WeakPolarHBondContact O-CG 3.27Å; Y146-M150 PolarHBondContact O-N 3.2Å; Y146-I212 WeakPolarHBondContact OH-CG2 3.37Å; Y146-P213 PolarHBondContact OH-O 2.96Å; Y146-P213 VanDerWaalsContact OH-O 3.09Å
147	L	89.2	Confident	85.9	Confident	1 Å²	1	14.7 Å²	14.7	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-61.1	-37.5	177.8	-65.1	179.8	0	0	0	111.3	L18 I21 V22 I143 P145 E149 T151 I159 L160 F163	L18-L147 HydrophobicContact CD2-CD2 3.65Å; I21-L147 HydrophobicContact CG2-CD2 3.88Å; I21-L147 HydrophobicContact CG2-CG 4.45Å; V22-L147 HydrophobicContact CG2-CD1 3.95Å; V22-L147 HydrophobicContact CG2-CD2 4.18Å; I143-L147 HydrophobicContact CG2-CD1 3.62Å; I143-L147 HydrophobicContact CG2-CG 3.89Å; I143-L147 WeakPolarHBondContact O-CG 3.25Å; I143-L147 PolarHBondContact O-N 3.45Å; P145-L147 PolarHBondContact O-N 3.14Å; L147-E149 PolarHBondContact O-N 2.93Å; L147-T151 VanDerWaalsContact O-CB 3.25Å; L147-T151 WeakPolarHBondContact O-CB 3.48Å; L147-T151 WeakPolarHBondContact O-CG2 3.5Å; L147-T151 PolarHBondContact O-N 2.73Å; L147-T151 PolarHBondContact O-OG1 2.93Å; L147-I159 HydrophobicContact CD2-CG2 4Å; L147-L160 HydrophobicContact CB-CD1 3.64Å; L147-L160 HydrophobicContact CB-CG 4.05Å; L147-F163 HydrophobicContact CD1-CB 4.27Å
148	T	87.1	Confident	85.6	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-63.1	-42.9	177.9	-60.9	0	0	0	0	112.5	P144 P145 Y146 T151 R156 G526 I595	P144-T148 WeakPolarHBondContact O-CB 3.19Å; P144-T148 PolarHBondContact O-N 3.4Å; P144-T148 PolarHBondContact O-OG1 3.04Å; P145-T148 WeakPolarHBondContact O-CB 3.5Å; P145-T148 PolarHBondContact O-N 3.04Å; Y146-T148 VanDerWaalsContact C-N 3.28Å; Y146-T148 PolarHBondContact O-N 3.27Å; T148-T151 PolarHBondContact O-OG1 3.1Å; T148-R156 PolarHBondContact O-NE 3.5Å; T148-R156 PolarHBondContact O-NH2 3.36Å; T148-G526 WeakPolarHBondContact CG2-O 3.39Å; T148-G526 WeakPolarHBondContact OG1-CA 3.44Å; T148-G526 PolarHBondContact OG1-O 3.15Å; T148-I595 HydrophobicContact CG2-CD1 4.45Å
149	E	81.6	Confident	85.3	Confident	20 Å²	20	17.8 Å²	17.8	9%	0.093	9%	0.087	C	C	.	.	H	α-helix	trans	-79.8	-30.5	-173.3	-69.6	169.2	176.7	0	0	112.7	R98 P145 Y146 L147 T151 S215 R534	R98-E149 IonicContact CZ-OE1 3.97Å; R98-E149 IonicContact CZ-OE2 2.89Å; R98-E149 IonicContact NH1-OE1 2.91Å; R98-E149 PolarHBondContact NH1-OE1 3.31Å; R98-E149 IonicContact NH1-OE2 2.76Å; R98-E149 PolarHBondContact NH1-OE2 3.47Å; P145-E149 WeakPolarHBondContact O-CG 3.43Å; P145-E149 PolarHBondContact O-N 3.21Å; P145-E149 VanDerWaalsContact O-N 3.1Å; Y146-E149 PolarHBondContact O-N 3.49Å; L147-E149 PolarHBondContact O-N 2.93Å; E149-T151 VanDerWaalsContact C-N 3.34Å; E149-S215 VanDerWaalsContact CB-OG 3.23Å; E149-S215 WeakPolarHBondContact CB-OG 3.41Å; E149-S215 WeakPolarHBondContact OE2-CB 3.44Å; E149-S215 PolarHBondContact OE2-OG 3.19Å; E149-R534 VanDerWaalsContact CG-NH1 3.31Å; E149-R534 IonicContact OE1-NH1 2.68Å; E149-R534 PolarHBondContact OE1-NH1 3.44Å
150	M	83	Confident	85.2	Confident	35 Å²	35	17.9 Å²	17.9	17%	0.172	9%	0.088	C	C	.	.	H	α-helix	trans	-84.3	-5.8	175.2	-69.3	-66.8	-68.3	0	0	113.6	L18 Y146 P213 P216	L18-M150 HydrophobicContact CD2-CB 3.73Å; Y146-M150 HydrophobicContact CD1-CG 4.02Å; Y146-M150 HydrophobicContact CE1-CB 4.15Å; Y146-M150 HydrophobicContact CE1-CG 3.5Å; Y146-M150 HydrophobicContact CE2-CG 4.18Å; Y146-M150 WeakPolarHBondContact O-CB 3.47Å; Y146-M150 WeakPolarHBondContact O-CG 3.27Å; Y146-M150 PolarHBondContact O-N 3.2Å; M150-P213 HydrophobicContact CE-CG 3.59Å; M150-P216 WeakPolarHBondContact SD-CD 3.45Å; M150-P216 HydrophobicContact SD-CG 4.27Å
151	T	80.9	Confident	85.2	Confident	10 Å²	10	17.9 Å²	17.9	6%	0.061	9%	0.087	C	C	.	.	S	Bend	trans	-110.6	133	-177	55.9	0	0	0	0	114.2	L18 L147 T148 E149 R156 I159	L18-T151 HydrophobicContact CD1-CG2 3.93Å; L18-T151 HydrophobicContact CD2-CG2 4.14Å; L147-T151 VanDerWaalsContact O-CB 3.25Å; L147-T151 WeakPolarHBondContact O-CB 3.48Å; L147-T151 WeakPolarHBondContact O-CG2 3.5Å; L147-T151 PolarHBondContact O-N 2.73Å; L147-T151 PolarHBondContact O-OG1 2.93Å; T148-T151 PolarHBondContact O-OG1 3.1Å; E149-T151 VanDerWaalsContact C-N 3.34Å; T151-R156 PolarHBondContact O-NH2 3.08Å; T151-R156 VanDerWaalsContact O-NH2 3.15Å; T151-I159 HydrophobicContact CG2-CB 3.87Å; T151-I159 HydrophobicContact CG2-CD1 3.67Å; T151-I159 HydrophobicContact CG2-CG1 4.35Å; T151-I159 HydrophobicContact CG2-CG2 3.67Å
152	R	74.8	Confident	85.1	Confident	116 Å²	116	20.1 Å²	20.1	44%	0.438	10%	0.099	S	C	.	.			trans	-62	144.2	166.5	-63.5	-173.6	-179.8	131.4	3.9	109.9	N11 H154 L155 R156	N11-R152 PolarHBondContact OD1-NH1 3.07Å; N11-R152 PolarHBondContact OD1-NH2 2.67Å; R152-H154 PolarHBondContact O-N 3.37Å; R152-L155 PolarHBondContact O-N 2.98Å; R152-R156 PolarHBondContact O-N 2.74Å
153	A	71.5	Confident	85.1	Confident	31 Å²	31	20.2 Å²	20.2	26%	0.256	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-26.3	-172.2	0	0	0	0	0	114.8
154	H	73.1	Confident	85.1	Confident	37 Å²	37	20.3 Å²	20.3	17%	0.171	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-10	179.6	63.6	-106.4	0	0	0	115.3	R152 F1193 Q1194	R152-H154 PolarHBondContact O-N 3.37Å; H154-F1193 HydrophobicContact CB-CB 3.74Å; H154-F1193 HydrophobicContact CB-CG 4.44Å; H154-F1193 PolarHBondContact CD2-O 2.92Å; H154-F1193 PolarHBondContact NE2-O 3.27Å; H154-Q1194 PolarHBondContact ND1-O 3.37Å
155	L	79.1	Confident	85.2	Confident	35 Å²	35	21.2 Å²	21.2	18%	0.183	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-12	173.8	-75.1	177.7	0	0	0	113.3	R152 G157 I158 I159 F1192	R152-L155 PolarHBondContact O-N 2.98Å; L155-G157 PolarHBondContact O-N 3.44Å; L155-I158 PolarHBondContact O-N 2.85Å; L155-I159 HydrophobicContact CB-CD1 3.93Å; L155-I159 HydrophobicContact CD1-CD1 4.4Å; L155-I159 PolarHBondContact O-N 3.17Å; L155-I159 VanDerWaalsContact O-N 3.14Å; L155-F1192 HydrophobicContact CD1-CD1 4.41Å; L155-F1192 HydrophobicContact CD1-CE1 4.15Å; L155-F1192 HydrophobicContact CD2-CD1 4.4Å; L155-F1192 HydrophobicContact CD2-CE1 4.43Å
156	R	84.2	Confident	85.4	Confident	11 Å²	11	22.6 Å²	22.6	4%	0.042	11%	0.112	C	C	.	.	H	α-helix	trans	-51.9	-49.5	-170.8	-175	173.5	-66.7	148.6	8	113.2	T148 T151 R152 I158 I159 L160 E527 I595	T148-R156 PolarHBondContact O-NE 3.5Å; T148-R156 PolarHBondContact O-NH2 3.36Å; T151-R156 PolarHBondContact O-NH2 3.08Å; T151-R156 VanDerWaalsContact O-NH2 3.15Å; R152-R156 PolarHBondContact O-N 2.74Å; R156-I158 VanDerWaalsContact C-N 3.34Å; R156-I158 PolarHBondContact O-N 3.31Å; R156-I159 PolarHBondContact O-N 3.36Å; R156-L160 HydrophobicContact CG-CD1 3.67Å; R156-L160 VanDerWaalsContact O-CD1 3.26Å; R156-L160 WeakPolarHBondContact O-CD1 3.41Å; R156-L160 PolarHBondContact O-N 2.85Å; R156-E527 VanDerWaalsContact CD-CG 3.49Å; R156-E527 HydrophobicContact CG-CG 4.26Å; R156-I595 VanDerWaalsContact NH1-CG1 3.33Å
157	G	84.6	Confident	85.5	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-66.3	-33.5	-175.7	0	0	0	0	0	113.5	L155 N161 V357 E358	L155-G157 PolarHBondContact O-N 3.44Å; G157-N161 VanDerWaalsContact O-CB 3.27Å; G157-N161 WeakPolarHBondContact O-CB 3.33Å; G157-N161 PolarHBondContact O-N 3.33Å; G157-V357 WeakPolarHBondContact O-CG1 3.31Å; G157-E358 VanDerWaalsContact CA-OE1 3.23Å; G157-E358 WeakPolarHBondContact CA-OE1 3.21Å; G157-E358 PolarHBondContact N-OE1 2.95Å
158	I	86.6	Confident	85.7	Confident	61 Å²	61	23.6 Å²	23.6	31%	0.313	12%	0.117	S	C	.	.	H	α-helix	trans	-65.9	-52.4	173.1	-72.1	160.8	0	0	0	109.4	L155 R156 L160 N161 L162 T354 E358	L155-I158 PolarHBondContact O-N 2.85Å; R156-I158 VanDerWaalsContact C-N 3.34Å; R156-I158 PolarHBondContact O-N 3.31Å; I158-L160 PolarHBondContact O-N 3.28Å; I158-N161 PolarHBondContact O-N 3.05Å; I158-N161 VanDerWaalsContact O-N 3.14Å; I158-L162 WeakPolarHBondContact O-CG 3.32Å; I158-L162 PolarHBondContact O-N 3.36Å; I158-T354 HydrophobicContact CG2-CG2 4.47Å; I158-E358 HydrophobicContact CD1-CB 4.32Å; I158-E358 HydrophobicContact CD1-CG 3.89Å; I158-E358 HydrophobicContact CG1-CB 4.37Å; I158-E358 HydrophobicContact CG1-CG 3.71Å
159	I	87.9	Confident	85.9	Confident	9 Å²	9	25.4 Å²	25.4	5%	0.046	13%	0.126	C	C	.	.	H	α-helix	trans	-70.4	-36.2	-169.8	-67.6	171.3	0	0	0	111.7	L18 L147 T151 L155 R156 L162	L18-I159 HydrophobicContact CB-CG2 4.2Å; L18-I159 HydrophobicContact CD1-CD1 3.98Å; L18-I159 HydrophobicContact CD1-CG2 4.48Å; L18-I159 HydrophobicContact CD2-CG2 4.21Å; L147-I159 HydrophobicContact CD2-CG2 4Å; T151-I159 HydrophobicContact CG2-CB 3.87Å; T151-I159 HydrophobicContact CG2-CD1 3.67Å; T151-I159 HydrophobicContact CG2-CG1 4.35Å; T151-I159 HydrophobicContact CG2-CG2 3.67Å; L155-I159 HydrophobicContact CB-CD1 3.93Å; L155-I159 HydrophobicContact CD1-CD1 4.4Å; L155-I159 PolarHBondContact O-N 3.17Å; L155-I159 VanDerWaalsContact O-N 3.14Å; R156-I159 PolarHBondContact O-N 3.36Å; I159-L162 PolarHBondContact O-N 2.86Å
160	L	90.1	Very high	86.4	Confident	3 Å²	3	24.4 Å²	24.4	2%	0.016	12%	0.122	C	C	.	.	H	α-helix	trans	-68.4	-33.2	171.7	-87.1	74.3	0	0	0	112.6	L147 R156 I158 P164 T523	L147-L160 HydrophobicContact CB-CD1 3.64Å; L147-L160 HydrophobicContact CB-CG 4.05Å; R156-L160 HydrophobicContact CG-CD1 3.67Å; R156-L160 VanDerWaalsContact O-CD1 3.26Å; R156-L160 WeakPolarHBondContact O-CD1 3.41Å; R156-L160 PolarHBondContact O-N 2.85Å; I158-L160 PolarHBondContact O-N 3.28Å; L160-P164 WeakPolarHBondContact O-CD 3.24Å; L160-T523 WeakPolarHBondContact CB-OG1 3.26Å
161	N	90.4	Very high	86.8	Confident	2 Å²	2	23.7 Å²	23.7	1%	0.011	12%	0.118	C	C	.	.	H	α-helix	trans	-77	-17.2	175.9	-82.7	-10.1	0	0	0	114.2	G157 I158 F163 P164 L165 T354 V357 G519 T523	G157-N161 VanDerWaalsContact O-CB 3.27Å; G157-N161 WeakPolarHBondContact O-CB 3.33Å; G157-N161 PolarHBondContact O-N 3.33Å; I158-N161 PolarHBondContact O-N 3.05Å; I158-N161 VanDerWaalsContact O-N 3.14Å; N161-F163 PolarHBondContact O-N 3.26Å; N161-P164 VanDerWaalsContact O-CD 3.28Å; N161-P164 WeakPolarHBondContact O-CD 3.42Å; N161-P164 WeakPolarHBondContact O-CG 3.27Å; N161-L165 WeakPolarHBondContact O-CB 3.35Å; N161-L165 PolarHBondContact O-N 3.34Å; N161-L165 VanDerWaalsContact O-N 3.11Å; N161-T354 HydrophobicContact CB-CG2 3.84Å; N161-T354 PolarHBondContact O-OG1 2.78Å; N161-V357 WeakPolarHBondContact ND2-CB 3.33Å; N161-V357 WeakPolarHBondContact ND2-CG1 3.46Å; N161-G519 VanDerWaalsContact OD1-CA 3.28Å; N161-G519 WeakPolarHBondContact OD1-CA 3.38Å; N161-G519 PolarHBondContact OD1-O 3.38Å; N161-T523 PolarHBondContact OD1-OG1 3.04Å
162	L	90.1	Very high	87.3	Confident	48 Å²	48	26.5 Å²	26.5	25%	0.251	13%	0.128	S	C	.	.	H	α-helix	trans	-65.1	-27.9	171.8	-67.8	173.6	0	0	0	112.5	V22 I158 I159 L165 L166 T354	V22-L162 HydrophobicContact CB-CB 4.38Å; V22-L162 HydrophobicContact CG1-CB 3.54Å; V22-L162 HydrophobicContact CG2-CB 3.91Å; I158-L162 WeakPolarHBondContact O-CG 3.32Å; I158-L162 PolarHBondContact O-N 3.36Å; I159-L162 PolarHBondContact O-N 2.86Å; L162-L165 HydrophobicContact CD2-CD2 3.96Å; L162-L165 WeakPolarHBondContact O-CB 3.47Å; L162-L165 PolarHBondContact O-N 2.74Å; L162-L166 PolarHBondContact O-N 3.22Å; L162-L166 VanDerWaalsContact O-N 3.12Å; L162-T354 HydrophobicContact CD2-CG2 4.09Å; L162-T354 HydrophobicContact CG-CG2 4.47Å
163	F	91.5	Very high	88	Confident	2 Å²	2	22.8 Å²	22.8	1%	0.009	12%	0.116	C	C	.	.	H	α-helix	trans	-63.3	-57.1	176.1	172.9	-113.1	0	0	0	112.8	I28 I143 L147 N161 L165 L166 M167	I28-F163 HydrophobicContact CD1-CE2 3.5Å; I28-F163 VanDerWaalsContact CD1-CE2 3.5Å; I28-F163 HydrophobicContact CD1-CZ 3.43Å; I28-F163 VanDerWaalsContact CD1-CZ 3.43Å; I143-F163 HydrophobicContact CB-CE2 4.37Å; I143-F163 HydrophobicContact CD1-CD2 4.21Å; I143-F163 HydrophobicContact CD1-CE2 3.64Å; I143-F163 HydrophobicContact CD1-CZ 4.29Å; I143-F163 HydrophobicContact CG2-CD2 3.94Å; I143-F163 HydrophobicContact CG2-CE2 4.23Å; I143-F163 HydrophobicContact CG2-CG 4.19Å; L147-F163 HydrophobicContact CD1-CB 4.27Å; N161-F163 PolarHBondContact O-N 3.26Å; F163-L165 VanDerWaalsContact C-N 3.27Å; F163-L165 PolarHBondContact O-N 3Å; F163-L166 PolarHBondContact O-N 3.01Å; F163-L166 VanDerWaalsContact O-N 3.16Å; F163-M167 HydrophobicContact CD1-SD 4.25Å; F163-M167 HydrophobicContact CE1-SD 3.83Å; F163-M167 HydrophobicContact CZ-SD 4.02Å; F163-M167 PolarHBondContact O-N 3.35Å; F163-M167 VanDerWaalsContact O-N 3.12Å
164	P	92.5	Very high	88.9	Confident	2 Å²	2	21.3 Å²	21.3	1%	0.013	10%	0.104	C	C	.	.	H	α-helix	trans	-66.7	-24.7	174	25.2	-32.1	0	0	0	113.2	L160 N161 L166 M167 T168	L160-P164 WeakPolarHBondContact O-CD 3.24Å; N161-P164 VanDerWaalsContact O-CD 3.28Å; N161-P164 WeakPolarHBondContact O-CD 3.42Å; N161-P164 WeakPolarHBondContact O-CG 3.27Å; P164-L166 VanDerWaalsContact C-N 3.32Å; P164-L166 PolarHBondContact O-N 2.89Å; P164-M167 HydrophobicContact CB-SD 4.43Å; P164-M167 WeakPolarHBondContact O-CB 3.34Å; P164-M167 PolarHBondContact O-N 3.08Å; P164-T168 PolarHBondContact O-N 3.31Å; P164-T168 PolarHBondContact O-OG1 2.86Å
165	L	92.6	Very high	89.5	Confident	23 Å²	23	20.2 Å²	20.2	12%	0.12	10%	0.102	C	C	.	.	H	α-helix	trans	-60.4	-41.5	170	174.6	59.4	0	0	0	112.3	N161 L162 F163 T168 L169 F347 T350 A351	N161-L165 WeakPolarHBondContact O-CB 3.35Å; N161-L165 PolarHBondContact O-N 3.34Å; N161-L165 VanDerWaalsContact O-N 3.11Å; L162-L165 HydrophobicContact CD2-CD2 3.96Å; L162-L165 WeakPolarHBondContact O-CB 3.47Å; L162-L165 PolarHBondContact O-N 2.74Å; F163-L165 VanDerWaalsContact C-N 3.27Å; F163-L165 PolarHBondContact O-N 3Å; L165-T168 PolarHBondContact O-N 2.9Å; L165-T168 PolarHBondContact O-OG1 2.81Å; L165-T168 VanDerWaalsContact O-OG1 3.09Å; L165-L169 PolarHBondContact O-N 3.1Å; L165-L169 VanDerWaalsContact O-N 3.09Å; L165-F347 HydrophobicContact CD1-CD2 3.73Å; L165-F347 HydrophobicContact CD1-CE2 3.47Å; L165-F347 VanDerWaalsContact CD1-CE2 3.47Å; L165-F347 HydrophobicContact CD1-CZ 4.48Å; L165-F347 HydrophobicContact CG-CE2 4.2Å; L165-T350 HydrophobicContact CB-CG2 4.07Å; L165-T350 HydrophobicContact CD1-CG2 4.39Å; L165-A351 HydrophobicContact CD1-CB 3.68Å
166	L	92.4	Very high	89.9	Confident	28 Å²	28	19.2 Å²	19.2	15%	0.147	10%	0.099	C	C	.	.	H	α-helix	trans	-77.3	-26.4	176.8	-65.9	-173.2	0	0	0	112.5	V22 L23 G25 F26 L162 F163 P164 L169 G170	V22-L166 HydrophobicContact CG1-CD1 3.59Å; V22-L166 HydrophobicContact CG1-CG 4.27Å; L23-L166 HydrophobicContact CD2-CD1 3.84Å; G25-L166 VanDerWaalsContact C-C 3.45Å; G25-L166 CarbonylContact C-O 3.2Å; F26-L166 VanDerWaalsContact CA-O 3.25Å; F26-L166 WeakPolarHBondContact CA-O 3.48Å; F26-L166 HydrophobicContact CB-CB 4.46Å; F26-L166 PolarHBondContact N-O 3.37Å; L162-L166 PolarHBondContact O-N 3.22Å; L162-L166 VanDerWaalsContact O-N 3.12Å; F163-L166 PolarHBondContact O-N 3.01Å; F163-L166 VanDerWaalsContact O-N 3.16Å; P164-L166 VanDerWaalsContact C-N 3.32Å; P164-L166 PolarHBondContact O-N 2.89Å; L166-L169 HydrophobicContact CD2-CB 4.4Å; L166-L169 HydrophobicContact CD2-CD2 3.72Å; L166-L169 PolarHBondContact O-N 3.12Å; L166-G170 PolarHBondContact O-N 3.37Å
167	M	92.4	Very high	90.1	Very high	19 Å²	19	21.6 Å²	21.6	9%	0.094	11%	0.11	C	C	.	.	H	α-helix	trans	-57	-53.9	165.6	-64.4	169.8	55.8	0	0	110.8	G25 I28 G29 F163 P164 L169 G170 E171	G25-M167 WeakPolarHBondContact O-CA 3.13Å; G25-M167 WeakPolarHBondContact O-CG 3.37Å; G25-M167 PolarHBondContact O-N 2.86Å; I28-M167 HydrophobicContact CB-CG 4.14Å; I28-M167 HydrophobicContact CD1-CG 4.49Å; I28-M167 HydrophobicContact CG2-CE 3.79Å; I28-M167 HydrophobicContact CG2-CG 3.93Å; I28-M167 HydrophobicContact CG2-SD 4.18Å; G29-M167 WeakPolarHBondContact CA-O 3.43Å; F163-M167 HydrophobicContact CD1-SD 4.25Å; F163-M167 HydrophobicContact CE1-SD 3.83Å; F163-M167 HydrophobicContact CZ-SD 4.02Å; F163-M167 PolarHBondContact O-N 3.35Å; F163-M167 VanDerWaalsContact O-N 3.12Å; P164-M167 HydrophobicContact CB-SD 4.43Å; P164-M167 WeakPolarHBondContact O-CB 3.34Å; P164-M167 PolarHBondContact O-N 3.08Å; M167-L169 VanDerWaalsContact C-N 3.27Å; M167-L169 PolarHBondContact O-N 3.35Å; M167-G170 WeakPolarHBondContact O-CA 3.36Å; M167-G170 PolarHBondContact O-N 3.48Å; M167-E171 PolarHBondContact O-N 3.43Å
168	T	92.7	Very high	90.1	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.018	11%	0.11	C	C	.	.	H	α-helix	trans	-66.5	-27.5	-178.8	56	0	0	0	0	113.3	P164 L165 E171 W172 N346 F347	P164-T168 PolarHBondContact O-N 3.31Å; P164-T168 PolarHBondContact O-OG1 2.86Å; L165-T168 PolarHBondContact O-N 2.9Å; L165-T168 PolarHBondContact O-OG1 2.81Å; L165-T168 VanDerWaalsContact O-OG1 3.09Å; T168-E171 PolarHBondContact O-N 3.03Å; T168-W172 PolarHBondContact O-N 3.13Å; T168-W172 VanDerWaalsContact O-N 3.13Å; T168-N346 HydrophobicContact CG2-CB 4.4Å; T168-N346 VanDerWaalsContact CG2-ND2 3.32Å; T168-N346 WeakPolarHBondContact CG2-ND2 3.26Å; T168-F347 WeakPolarHBondContact OG1-CA 3.07Å
169	L	92.6	Very high	89.9	Confident	38 Å²	38	18.7 Å²	18.7	20%	0.199	10%	0.095	C	C	.	.	H	α-helix	trans	-62.4	-45.2	168.3	-179.6	58.3	0	0	0	112.3	F26 L165 L166 M167 W172 L173 F347	F26-L169 HydrophobicContact CD2-CB 4.32Å; F26-L169 HydrophobicContact CD2-CD2 4.07Å; F26-L169 HydrophobicContact CD2-CG 3.9Å; F26-L169 HydrophobicContact CE2-CD2 4.38Å; F26-L169 HydrophobicContact CE2-CG 4Å; L165-L169 PolarHBondContact O-N 3.1Å; L165-L169 VanDerWaalsContact O-N 3.09Å; L166-L169 HydrophobicContact CD2-CB 4.4Å; L166-L169 HydrophobicContact CD2-CD2 3.72Å; L166-L169 PolarHBondContact O-N 3.12Å; M167-L169 VanDerWaalsContact C-N 3.27Å; M167-L169 PolarHBondContact O-N 3.35Å; L169-W172 HydrophobicContact CD1-CE3 3.91Å; L169-W172 HydrophobicContact CD1-CZ3 4.1Å; L169-W172 PolarHBondContact O-N 3.46Å; L169-L173 HydrophobicContact CD1-CG 4.32Å; L169-L173 PolarHBondContact O-N 2.93Å; L169-F347 HydrophobicContact CB-CD2 3.69Å; L169-F347 HydrophobicContact CB-CE2 3.61Å; L169-F347 HydrophobicContact CB-CG 4.48Å; L169-F347 HydrophobicContact CB-CZ 4.34Å; L169-F347 HydrophobicContact CD1-CD1 4.38Å; L169-F347 HydrophobicContact CD1-CD2 4.31Å; L169-F347 HydrophobicContact CD1-CE1 4.02Å; L169-F347 HydrophobicContact CD1-CE2 3.95Å; L169-F347 HydrophobicContact CD1-CZ 3.8Å; L169-F347 HydrophobicContact CG-CE2 4.21Å; L169-F347 HydrophobicContact CG-CZ 4.47Å
170	G	91.3	Very high	89.8	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.4	-45.6	175.7	0	0	0	0	0	111.8	Y30 L166 M167 W172 L173 A174	Y30-G170 WeakPolarHBondContact CA-O 3.23Å; L166-G170 PolarHBondContact O-N 3.37Å; M167-G170 WeakPolarHBondContact O-CA 3.36Å; M167-G170 PolarHBondContact O-N 3.48Å; G170-W172 VanDerWaalsContact C-N 3.33Å; G170-W172 PolarHBondContact O-N 2.83Å; G170-L173 PolarHBondContact O-N 2.93Å; G170-A174 WeakPolarHBondContact O-CB 3.49Å; G170-A174 PolarHBondContact O-N 3.14Å
171	E	90.8	Very high	89.6	Confident	19 Å²	19	22.6 Å²	22.6	9%	0.089	12%	0.12	C	C	.	.	H	α-helix	trans	-56.2	-45.8	178.1	-70.3	171	-171.2	0	0	112.1	G29 A33 M167 T168 G175 A343 N346	G29-E171 WeakPolarHBondContact O-CA 3.27Å; G29-E171 WeakPolarHBondContact O-CG 3.39Å; A33-E171 HydrophobicContact CB-CB 4.05Å; A33-E171 HydrophobicContact CB-CG 4.27Å; A33-E171 WeakPolarHBondContact CB-O 3.37Å; M167-E171 PolarHBondContact O-N 3.43Å; T168-E171 PolarHBondContact O-N 3.03Å; E171-G175 PolarHBondContact O-N 3.5Å; E171-A343 HydrophobicContact CB-CB 4.49Å; E171-N346 PolarHBondContact OE2-ND2 3.19Å
172	W	91.9	Very high	89.2	Confident	70 Å²	70	23.5 Å²	23.5	27%	0.265	13%	0.127	S	C	.	.	H	α-helix	trans	-67.1	-49.6	178.1	168.1	49.9	0	0	0	112.7	T168 L169 G170 A174 G175 A176 A343 L344 F347	T168-W172 PolarHBondContact O-N 3.13Å; T168-W172 VanDerWaalsContact O-N 3.13Å; L169-W172 HydrophobicContact CD1-CE3 3.91Å; L169-W172 HydrophobicContact CD1-CZ3 4.1Å; L169-W172 PolarHBondContact O-N 3.46Å; G170-W172 VanDerWaalsContact C-N 3.33Å; G170-W172 PolarHBondContact O-N 2.83Å; W172-A174 PolarHBondContact O-N 3.35Å; W172-G175 PolarHBondContact O-N 3.17Å; W172-A176 PolarHBondContact O-N 2.72Å; W172-A343 HydrophobicContact CB-CB 4.26Å; W172-L344 HydrophobicContact CD2-CB 4.48Å; W172-L344 HydrophobicContact CD2-CD1 3.76Å; W172-L344 HydrophobicContact CE3-CD1 4.17Å; W172-L344 HydrophobicContact CG-CB 3.99Å; W172-L344 HydrophobicContact CG-CD1 4.12Å; W172-L344 HydrophobicContact CH2-CD1 4.49Å; W172-L344 HydrophobicContact CZ2-CD1 4.1Å; W172-F347 HydrophobicContact CE3-CD1 4.22Å
173	L	90.8	Very high	88.9	Confident	37 Å²	37	28.5 Å²	28.5	19%	0.194	14%	0.143	C	C	.	.	H	α-helix	trans	-63.9	-29.6	-178.9	-71.4	-164.5	0	0	0	112.5	F26 L169 G170 A176 F177	F26-L173 HydrophobicContact CE2-CB 4.39Å; F26-L173 HydrophobicContact CE2-CD1 3.78Å; F26-L173 HydrophobicContact CE2-CG 4.35Å; F26-L173 HydrophobicContact CZ-CB 4.47Å; F26-L173 HydrophobicContact CZ-CD1 3.95Å; L169-L173 HydrophobicContact CD1-CG 4.32Å; L169-L173 PolarHBondContact O-N 2.93Å; G170-L173 PolarHBondContact O-N 2.93Å; L173-A176 PolarHBondContact O-N 3.44Å; L173-F177 HydrophobicContact CD1-CZ 4.42Å; L173-F177 VanDerWaalsContact O-CB 3.24Å; L173-F177 WeakPolarHBondContact O-CB 3.19Å; L173-F177 WeakPolarHBondContact O-CG 3.2Å; L173-F177 PolarHBondContact O-N 2.74Å
174	A	88.7	Confident	88.5	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.008	16%	0.157	C	C	.	.	H	α-helix	trans	-64	-44.3	171.2	0	0	0	0	0	112.6	Y30 A33 A34 G170 W172 A178	Y30-A174 HydrophobicContact CD1-CB 4.42Å; Y30-A174 HydrophobicContact CD2-CB 3.75Å; Y30-A174 HydrophobicContact CE2-CB 3.91Å; Y30-A174 HydrophobicContact CG-CB 4.03Å; Y30-A174 WeakPolarHBondContact O-CB 3.4Å; A33-A174 HydrophobicContact CB-CB 3.92Å; A34-A174 HydrophobicContact CB-CB 3.93Å; G170-A174 WeakPolarHBondContact O-CB 3.49Å; G170-A174 PolarHBondContact O-N 3.14Å; W172-A174 PolarHBondContact O-N 3.35Å; A174-A178 WeakPolarHBondContact O-CB 3.19Å; A174-A178 PolarHBondContact O-N 3.19Å
175	G	86.6	Confident	87.7	Confident	13 Å²	13	40.3 Å²	40.3	13%	0.134	20%	0.2	C	C	.	.	H	α-helix	trans	-65.5	-40.5	173.8	0	0	0	0	0	113.1	E171 W172 A178 A179	E171-G175 PolarHBondContact O-N 3.5Å; W172-G175 PolarHBondContact O-N 3.17Å; G175-A178 PolarHBondContact O-N 3.42Å; G175-A179 PolarHBondContact O-N 3.46Å; G175-A179 VanDerWaalsContact O-N 3.09Å
176	A	87.5	Confident	87.1	Confident	14 Å²	14	43.7 Å²	43.7	12%	0.116	22%	0.218	C	C	.	.	H	α-helix	trans	-68.6	-43.2	178	0	0	0	0	0	112.4	W172 L173 A178 A179 A180	W172-A176 PolarHBondContact O-N 2.72Å; L173-A176 PolarHBondContact O-N 3.44Å; A176-A178 VanDerWaalsContact C-N 3.31Å; A176-A178 PolarHBondContact O-N 3.1Å; A176-A179 PolarHBondContact O-N 3.36Å; A176-A180 VanDerWaalsContact O-CB 3.28Å; A176-A180 WeakPolarHBondContact O-CB 3.05Å; A176-A180 PolarHBondContact O-N 3.1Å
177	F	88.9	Confident	86.1	Confident	61 Å²	61	45.4 Å²	45.4	27%	0.268	23%	0.23	S	C	.	.	H	α-helix	trans	-68.5	-30.8	174.7	-68.6	-10.8	0	0	0	112	Y30 L173 F181 A197	Y30-F177 AromaticContact CE2-CD2 3.73Å; Y30-F177 HydrophobicContact CE2-CD2 3.73Å; Y30-F177 HydrophobicContact CE2-CE2 4.2Å; L173-F177 HydrophobicContact CD1-CZ 4.42Å; L173-F177 VanDerWaalsContact O-CB 3.24Å; L173-F177 WeakPolarHBondContact O-CB 3.19Å; L173-F177 WeakPolarHBondContact O-CG 3.2Å; L173-F177 PolarHBondContact O-N 2.74Å; F177-F181 HydrophobicContact CB-CD2 4.08Å; F177-F181 HydrophobicContact CB-CE2 3.91Å; F177-F181 HydrophobicContact CG-CE2 4.27Å; F177-F181 VanDerWaalsContact O-CB 3.3Å; F177-F181 WeakPolarHBondContact O-CB 3.25Å; F177-F181 WeakPolarHBondContact O-CD2 3.26Å; F177-F181 WeakPolarHBondContact O-CG 3.48Å; F177-F181 PolarHBondContact O-N 3.43Å; F177-A197 HydrophobicContact CD2-CB 3.66Å; F177-A197 HydrophobicContact CE2-CB 3.77Å
178	A	83	Confident	85.3	Confident	1 Å²	1	48 Å²	48	1%	0.008	24%	0.244	C	C	.	.	H	α-helix	trans	-62	-48.2	170	0	0	0	0	0	111.8	A174 G175 A176 S182 M194 M336	A174-A178 WeakPolarHBondContact O-CB 3.19Å; A174-A178 PolarHBondContact O-N 3.19Å; G175-A178 PolarHBondContact O-N 3.42Å; A176-A178 VanDerWaalsContact C-N 3.31Å; A176-A178 PolarHBondContact O-N 3.1Å; A178-S182 WeakPolarHBondContact O-CB 3.28Å; A178-S182 PolarHBondContact O-N 2.96Å; A178-S182 VanDerWaalsContact O-N 3.08Å; A178-S182 PolarHBondContact O-OG 3.41Å; A178-M194 HydrophobicContact CB-CG 4.46Å; A178-M194 HydrophobicContact CB-SD 4.01Å; A178-M194 WeakPolarHBondContact O-CE 3.23Å; A178-M336 VanDerWaalsContact C-CE 3.45Å; A178-M336 HydrophobicContact CB-CE 3.75Å; A178-M336 WeakPolarHBondContact O-CE 3.33Å
179	A	83.8	Confident	84.7	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-73.4	-24.6	179.1	0	0	0	0	0	113.9	G175 A176 S182 Y183 M336 W337	G175-A179 PolarHBondContact O-N 3.46Å; G175-A179 VanDerWaalsContact O-N 3.09Å; A176-A179 PolarHBondContact O-N 3.36Å; A179-S182 WeakPolarHBondContact CA-OG 3.4Å; A179-S182 PolarHBondContact O-OG 3.32Å; A179-Y183 VanDerWaalsContact O-CD2 3.25Å; A179-Y183 WeakPolarHBondContact O-CD2 3.48Å; A179-Y183 WeakPolarHBondContact O-CE2 3.41Å; A179-M336 HydrophobicContact CB-CB 4.08Å; A179-W337 HydrophobicContact CB-CD2 3.43Å; A179-W337 VanDerWaalsContact CB-CD2 3.43Å; A179-W337 VanDerWaalsContact CB-CE2 3.49Å; A179-W337 HydrophobicContact CB-CE3 3.82Å; A179-W337 HydrophobicContact CB-CG 3.75Å; A179-W337 HydrophobicContact CB-CH2 4.28Å; A179-W337 HydrophobicContact CB-CZ2 3.93Å; A179-W337 HydrophobicContact CB-CZ3 4.22Å
180	A	86.3	Confident	84.1	Confident	43 Å²	43	47.7 Å²	47.7	36%	0.355	25%	0.247	S	C	.	.	H	α-helix	trans	-78	-45	174.4	0	0	0	0	0	112.2	A176 S182 Y183	A176-A180 VanDerWaalsContact O-CB 3.28Å; A176-A180 WeakPolarHBondContact O-CB 3.05Å; A176-A180 PolarHBondContact O-N 3.1Å; A180-S182 VanDerWaalsContact C-N 3.31Å; A180-S182 PolarHBondContact O-N 3.41Å; A180-Y183 PolarHBondContact O-N 3.25Å
181	F	85.6	Confident	83.6	Confident	50 Å²	50	47.7 Å²	47.7	22%	0.219	25%	0.247	C	C	.	.	H	α-helix	trans	-77.3	-14.4	179.3	-61.7	-39.2	0	0	0	112.9	F177 Y183 I184 S190 L193 M194 A197	F177-F181 HydrophobicContact CB-CD2 4.08Å; F177-F181 HydrophobicContact CB-CE2 3.91Å; F177-F181 HydrophobicContact CG-CE2 4.27Å; F177-F181 VanDerWaalsContact O-CB 3.3Å; F177-F181 WeakPolarHBondContact O-CB 3.25Å; F177-F181 WeakPolarHBondContact O-CD2 3.26Å; F177-F181 WeakPolarHBondContact O-CG 3.48Å; F177-F181 PolarHBondContact O-N 3.43Å; F181-Y183 PolarHBondContact O-N 3.37Å; F181-I184 HydrophobicContact CB-CD1 4.1Å; F181-I184 HydrophobicContact CD1-CD1 3.74Å; F181-I184 HydrophobicContact CG-CD1 4.27Å; F181-I184 WeakPolarHBondContact O-CB 3.26Å; F181-I184 PolarHBondContact O-N 2.96Å; F181-S190 WeakPolarHBondContact O-CB 3.29Å; F181-L193 HydrophobicContact CD2-CB 3.83Å; F181-L193 HydrophobicContact CE1-CB 4.46Å; F181-L193 HydrophobicContact CE2-CB 3.74Å; F181-L193 HydrophobicContact CG-CB 4.23Å; F181-L193 HydrophobicContact CZ-CB 4.08Å; F181-M194 HydrophobicContact CB-CE 3.65Å; F181-M194 HydrophobicContact CB-CG 3.86Å; F181-M194 HydrophobicContact CD2-CB 4.36Å; F181-M194 HydrophobicContact CD2-CG 3.74Å; F181-M194 HydrophobicContact CG-CG 4.31Å; F181-A197 HydrophobicContact CE2-CB 4.36Å
182	S	82.1	Confident	83.3	Confident	22 Å²	22	49.3 Å²	49.3	15%	0.154	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-14.2	171.8	56	0	0	0	0	114.3	A178 A179 A180 I184	A178-S182 WeakPolarHBondContact O-CB 3.28Å; A178-S182 PolarHBondContact O-N 2.96Å; A178-S182 VanDerWaalsContact O-N 3.08Å; A178-S182 PolarHBondContact O-OG 3.41Å; A179-S182 WeakPolarHBondContact CA-OG 3.4Å; A179-S182 PolarHBondContact O-OG 3.32Å; A180-S182 VanDerWaalsContact C-N 3.31Å; A180-S182 PolarHBondContact O-N 3.41Å; S182-I184 VanDerWaalsContact C-N 3.29Å
183	Y	83.1	Confident	82.9	Confident	152 Å²	152	49.5 Å²	49.5	60%	0.596	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-9.9	170.1	-67.4	-78.4	0	0	0	113.7	A179 A180 F181 E185 T333 W337	A179-Y183 VanDerWaalsContact O-CD2 3.25Å; A179-Y183 WeakPolarHBondContact O-CD2 3.48Å; A179-Y183 WeakPolarHBondContact O-CE2 3.41Å; A180-Y183 PolarHBondContact O-N 3.25Å; F181-Y183 PolarHBondContact O-N 3.37Å; Y183-E185 PolarHBondContact O-N 3.17Å; Y183-T333 HydrophobicContact CE1-CG2 4.25Å; Y183-W337 HydrophobicContact CE2-CZ2 4.05Å; Y183-W337 AromaticContact CE2-NE1 3.47Å; Y183-W337 AromaticContact CZ-NE1 3.68Å; Y183-W337 PolarHBondContact OH-NE1 3.42Å
184	I	83.8	Confident	82.6	Confident	60 Å²	60	47.8 Å²	47.8	31%	0.308	25%	0.249	S	C	.	.			trans	-76.6	110.5	176.6	-60.1	173.5	0	0	0	107.8	F181 S182 N186 A189 L193	F181-I184 HydrophobicContact CB-CD1 4.1Å; F181-I184 HydrophobicContact CD1-CD1 3.74Å; F181-I184 HydrophobicContact CG-CD1 4.27Å; F181-I184 WeakPolarHBondContact O-CB 3.26Å; F181-I184 PolarHBondContact O-N 2.96Å; S182-I184 VanDerWaalsContact C-N 3.29Å; I184-N186 HydrophobicContact CG2-CB 4.04Å; I184-N186 CarbonylContact O-C 3.46Å; I184-N186 PolarHBondContact O-N 3.47Å; I184-N186 VanDerWaalsContact O-N 3.08Å; I184-A189 HydrophobicContact CG2-CB 4.45Å; I184-L193 HydrophobicContact CD1-CD1 4.09Å
185	E	74	Confident	82.3	Confident	193 Å²	193	47.9 Å²	47.9	90%	0.902	25%	0.249	S	C	*	.	S	Bend	trans	-50.9	-33.9	177.8	-63.2	-178.7	165.7	0	0	112.7	Y183 T187	Y183-E185 PolarHBondContact O-N 3.17Å; E185-T187 PolarHBondContact O-N 3.04Å
186	N	79.8	Confident	82	Confident	93 Å²	93	49.2 Å²	49.2	50%	0.497	26%	0.257	S	S	.	.			trans	-74	90.6	172.3	-171.2	-20.7	0	0	0	111	I184 D188 A189 S190	I184-N186 HydrophobicContact CG2-CB 4.04Å; I184-N186 CarbonylContact O-C 3.46Å; I184-N186 PolarHBondContact O-N 3.47Å; I184-N186 VanDerWaalsContact O-N 3.08Å; N186-D188 PolarHBondContact O-N 3.45Å; N186-D188 WeakPolarHBondContact OD1-CB 3.39Å; N186-D188 PolarHBondContact OD1-N 2.99Å; N186-A189 HydrophobicContact CB-CB 4.22Å; N186-A189 PolarHBondContact O-N 2.95Å; N186-A189 VanDerWaalsContact O-N 3.1Å; N186-A189 PolarHBondContact OD1-N 3.23Å; N186-S190 PolarHBondContact O-N 3.48Å; N186-S190 VanDerWaalsContact O-N 3.08Å
187	T	72	Confident	81.8	Confident	65 Å²	65	49.9 Å²	49.9	40%	0.399	26%	0.262	S	S	.	.	H	α-helix	trans	-49.8	-28.9	173.4	-44.2	0	0	0	0	113.4	I41 E185 S190 W191	I41-T187 HydrophobicContact CG2-CG2 3.43Å; I41-T187 VanDerWaalsContact CG2-CG2 3.43Å; E185-T187 PolarHBondContact O-N 3.04Å; T187-S190 PolarHBondContact O-OG 2.96Å; T187-S190 VanDerWaalsContact O-OG 3.05Å; T187-W191 PolarHBondContact O-NE1 3.3Å
188	D	75.7	Confident	81.2	Confident	72 Å²	72	47 Å²	47	39%	0.385	25%	0.249	S	C	.	.	H	α-helix	trans	-79.3	-33.9	-177.7	-79.3	23.9	0	0	0	112.8	K45 N186 R192	K45-D188 VanDerWaalsContact CE-OD1 3.32Å; K45-D188 WeakPolarHBondContact CE-OD1 3.35Å; K45-D188 IonicContact NZ-OD1 3.8Å; K45-D188 PolarHBondContact NZ-OD1 3.17Å; K45-D188 IonicContact NZ-OD2 3.76Å; K45-D188 PolarHBondContact NZ-OD2 3.5Å; N186-D188 PolarHBondContact O-N 3.45Å; N186-D188 WeakPolarHBondContact OD1-CB 3.39Å; N186-D188 PolarHBondContact OD1-N 2.99Å; D188-R192 WeakPolarHBondContact O-CD 3.29Å; D188-R192 VanDerWaalsContact O-CG 3.29Å; D188-R192 WeakPolarHBondContact O-CG 3.35Å; D188-R192 PolarHBondContact O-NE 3.23Å
189	A	80.5	Confident	81	Confident	33 Å²	33	47.8 Å²	47.8	27%	0.273	26%	0.255	S	S	.	.	H	α-helix	trans	-75.8	-39.5	174.1	0	0	0	0	0	111.5	I184 N186 R192 L193	I184-A189 HydrophobicContact CG2-CB 4.45Å; N186-A189 HydrophobicContact CB-CB 4.22Å; N186-A189 PolarHBondContact O-N 2.95Å; N186-A189 VanDerWaalsContact O-N 3.1Å; N186-A189 PolarHBondContact OD1-N 3.23Å; A189-R192 PolarHBondContact O-N 3.39Å; A189-L193 WeakPolarHBondContact O-CG 3.32Å; A189-L193 PolarHBondContact O-N 3Å; A189-L193 VanDerWaalsContact O-N 3.08Å
190	S	80.1	Confident	81	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.014	28%	0.28	C	S	.	.	H	α-helix	trans	-57.1	-62.5	-170.9	66.9	0	0	0	0	112.8	F181 N186 T187 R192 L193 M194	F181-S190 WeakPolarHBondContact O-CB 3.29Å; N186-S190 PolarHBondContact O-N 3.48Å; N186-S190 VanDerWaalsContact O-N 3.08Å; T187-S190 PolarHBondContact O-OG 2.96Å; T187-S190 VanDerWaalsContact O-OG 3.05Å; S190-R192 VanDerWaalsContact C-N 3.27Å; S190-R192 PolarHBondContact O-N 3.5Å; S190-L193 PolarHBondContact O-N 3.22Å; S190-M194 VanDerWaalsContact O-CG 3.27Å; S190-M194 WeakPolarHBondContact O-CG 3.46Å; S190-M194 PolarHBondContact O-N 3.31Å
191	W	79.8	Confident	80.9	Confident	1 Å²	1	53 Å²	53	0%	0.004	27%	0.271	C	S	.	.	H	α-helix	trans	-68.6	-22.6	-176.2	71	-98.4	0	0	0	113.6	V42 F46 A119 T187 M194 L195	V42-W191 HydrophobicContact CG2-CB 4.24Å; V42-W191 HydrophobicContact CG2-CD2 4.46Å; V42-W191 HydrophobicContact CG2-CG 4.2Å; F46-W191 HydrophobicContact CE2-CZ2 4.39Å; F46-W191 HydrophobicContact CZ-CZ2 4.39Å; A119-W191 HydrophobicContact CB-CH2 4.19Å; A119-W191 HydrophobicContact CB-CZ3 4.47Å; A119-W191 VanDerWaalsContact O-CH2 3.29Å; A119-W191 WeakPolarHBondContact O-CH2 3.05Å; T187-W191 PolarHBondContact O-NE1 3.3Å; W191-M194 HydrophobicContact CB-SD 4.34Å; W191-M194 WeakPolarHBondContact O-CB 3.4Å; W191-L195 HydrophobicContact CE3-CD1 3.79Å; W191-L195 HydrophobicContact CZ3-CD1 3.93Å; W191-L195 WeakPolarHBondContact O-CG 3.43Å; W191-L195 PolarHBondContact O-N 3.3Å
192	R	85.1	Confident	80.9	Confident	53 Å²	53	50.8 Å²	50.8	20%	0.2	26%	0.261	C	S	.	.	H	α-helix	trans	-70.3	-45.1	174.2	-69.8	178.8	-177.4	-99.1	-1.6	111.5	S117 V118 A119 N120 D188 A189 S190 M194 L195 S196	S117-R192 PolarHBondContact O-NH1 3.45Å; V118-R192 PolarHBondContact O-NH1 3.47Å; A119-R192 VanDerWaalsContact O-CZ 3.28Å; A119-R192 PolarHBondContact O-NH1 3.14Å; A119-R192 PolarHBondContact O-NH2 3.35Å; N120-R192 PolarHBondContact OD1-NH1 3.4Å; N120-R192 PolarHBondContact OD1-NH2 3.33Å; D188-R192 WeakPolarHBondContact O-CD 3.29Å; D188-R192 VanDerWaalsContact O-CG 3.29Å; D188-R192 WeakPolarHBondContact O-CG 3.35Å; D188-R192 PolarHBondContact O-NE 3.23Å; A189-R192 PolarHBondContact O-N 3.39Å; S190-R192 VanDerWaalsContact C-N 3.27Å; S190-R192 PolarHBondContact O-N 3.5Å; R192-M194 VanDerWaalsContact C-N 3.3Å; R192-M194 PolarHBondContact O-N 3.3Å; R192-L195 PolarHBondContact O-N 3.41Å; R192-L195 VanDerWaalsContact O-N 3.16Å; R192-S196 PolarHBondContact O-N 3.15Å; R192-S196 PolarHBondContact O-OG 3.44Å
193	L	82.8	Confident	81.1	Confident	73 Å²	73	55.7 Å²	55.7	38%	0.382	29%	0.285	S	S	.	.	H	α-helix	trans	-64.1	-36.3	174.2	-67	170.6	0	0	0	111.3	F181 I184 A189 S190 L195 S196 A197	F181-L193 HydrophobicContact CD2-CB 3.83Å; F181-L193 HydrophobicContact CE1-CB 4.46Å; F181-L193 HydrophobicContact CE2-CB 3.74Å; F181-L193 HydrophobicContact CG-CB 4.23Å; F181-L193 HydrophobicContact CZ-CB 4.08Å; I184-L193 HydrophobicContact CD1-CD1 4.09Å; A189-L193 WeakPolarHBondContact O-CG 3.32Å; A189-L193 PolarHBondContact O-N 3Å; A189-L193 VanDerWaalsContact O-N 3.08Å; S190-L193 PolarHBondContact O-N 3.22Å; L193-L195 PolarHBondContact O-N 3.28Å; L193-S196 PolarHBondContact O-N 3.48Å; L193-S196 PolarHBondContact O-OG 3.23Å; L193-A197 WeakPolarHBondContact O-CB 3.28Å; L193-A197 PolarHBondContact O-N 3.07Å
194	M	84.4	Confident	81.2	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-61.3	-24.2	172.3	-65.1	173.5	-166.1	0	0	114.3	Y30 A38 I41 A178 F181 S190 W191 R192 M336	Y30-M194 WeakPolarHBondContact CE1-O 3.38Å; Y30-M194 PolarHBondContact OH-O 2.9Å; A38-M194 HydrophobicContact CB-SD 4.45Å; I41-M194 HydrophobicContact CD1-CE 3.61Å; I41-M194 HydrophobicContact CD1-SD 4.44Å; A178-M194 HydrophobicContact CB-CG 4.46Å; A178-M194 HydrophobicContact CB-SD 4.01Å; A178-M194 WeakPolarHBondContact O-CE 3.23Å; F181-M194 HydrophobicContact CB-CE 3.65Å; F181-M194 HydrophobicContact CB-CG 3.86Å; F181-M194 HydrophobicContact CD2-CB 4.36Å; F181-M194 HydrophobicContact CD2-CG 3.74Å; F181-M194 HydrophobicContact CG-CG 4.31Å; S190-M194 VanDerWaalsContact O-CG 3.27Å; S190-M194 WeakPolarHBondContact O-CG 3.46Å; S190-M194 PolarHBondContact O-N 3.31Å; W191-M194 HydrophobicContact CB-SD 4.34Å; W191-M194 WeakPolarHBondContact O-CB 3.4Å; R192-M194 VanDerWaalsContact C-N 3.3Å; R192-M194 PolarHBondContact O-N 3.3Å; M194-M336 HydrophobicContact CE-CE 4.26Å
195	L	82.8	Confident	81.5	Confident	4 Å²	4	49.8 Å²	49.8	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-97.8	-28.2	179	-65.5	176.1	0	0	0	112.5	H31 A34 C116 L125 W191 R192 L193	H31-L195 PolarHBondContact CE1-O 2.97Å; H31-L195 VanDerWaalsContact CE1-O 3.3Å; A34-L195 HydrophobicContact CB-CD2 3.98Å; C116-L195 HydrophobicContact CB-CB 4.08Å; C116-L195 HydrophobicContact CB-CD1 4.13Å; L125-L195 HydrophobicContact CD1-CD1 3.56Å; W191-L195 HydrophobicContact CE3-CD1 3.79Å; W191-L195 HydrophobicContact CZ3-CD1 3.93Å; W191-L195 WeakPolarHBondContact O-CG 3.43Å; W191-L195 PolarHBondContact O-N 3.3Å; R192-L195 PolarHBondContact O-N 3.41Å; R192-L195 VanDerWaalsContact O-N 3.16Å; L193-L195 PolarHBondContact O-N 3.28Å
196	S	81.5	Confident	82.2	Confident	41 Å²	41	44.2 Å²	44.2	29%	0.287	23%	0.233	S	C	.	.	H	α-helix	trans	-77.9	-38.6	-179.2	63.8	0	0	0	0	113.4	R192 L193 G198 S199	R192-S196 PolarHBondContact O-N 3.15Å; R192-S196 PolarHBondContact O-OG 3.44Å; L193-S196 PolarHBondContact O-N 3.48Å; L193-S196 PolarHBondContact O-OG 3.23Å; S196-G198 PolarHBondContact O-N 2.96Å; S196-S199 WeakPolarHBondContact O-CB 3.33Å; S196-S199 PolarHBondContact O-N 3.46Å; S196-S199 VanDerWaalsContact O-N 3.12Å; S196-S199 PolarHBondContact O-OG 3.43Å; S196-S199 VanDerWaalsContact O-OG 3.08Å
197	A	81.8	Confident	82.6	Confident	27 Å²	27	46.9 Å²	46.9	22%	0.223	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-12.3	-163.2	0	0	0	0	0	115.8	F177 F181 L193 S199 F200	F177-A197 HydrophobicContact CD2-CB 3.66Å; F177-A197 HydrophobicContact CE2-CB 3.77Å; F181-A197 HydrophobicContact CE2-CB 4.36Å; L193-A197 WeakPolarHBondContact O-CB 3.28Å; L193-A197 PolarHBondContact O-N 3.07Å; A197-S199 VanDerWaalsContact C-N 3.27Å; A197-S199 PolarHBondContact O-N 3.07Å; A197-F200 WeakPolarHBondContact O-CD1 3.44Å
198	G	76.7	Confident	83.3	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-6.6	173.4	0	0	0	0	0	115.8	F26 Y30 S196	F26-G198 WeakPolarHBondContact CE1-O 3.39Å; Y30-G198 VanDerWaalsContact CE1-CA 3.49Å; Y30-G198 VanDerWaalsContact CE1-N 3.25Å; Y30-G198 VanDerWaalsContact CG-CA 3.4Å; S196-G198 PolarHBondContact O-N 2.96Å
199	S	80.3	Confident	83.9	Confident	19 Å²	19	46.8 Å²	46.8	13%	0.133	23%	0.228	C	C	.	.			trans	-105.6	-6.8	-157.6	-47.9	0	0	0	0	114.2	H31 A113 S196 A197 L201 I202	H31-S199 PolarHBondContact NE2-OG 3.5Å; H31-S199 VanDerWaalsContact NE2-OG 3.16Å; A113-S199 WeakPolarHBondContact CB-OG 3.25Å; S196-S199 WeakPolarHBondContact O-CB 3.33Å; S196-S199 PolarHBondContact O-N 3.46Å; S196-S199 VanDerWaalsContact O-N 3.12Å; S196-S199 PolarHBondContact O-OG 3.43Å; S196-S199 VanDerWaalsContact O-OG 3.08Å; A197-S199 VanDerWaalsContact C-N 3.27Å; A197-S199 PolarHBondContact O-N 3.07Å; S199-L201 VanDerWaalsContact C-N 3.32Å; S199-L201 PolarHBondContact O-N 3.39Å; S199-I202 WeakPolarHBondContact O-CB 3.41Å; S199-I202 PolarHBondContact O-N 2.97Å
200	F	82.9	Confident	84.1	Confident	120 Å²	120	49.4 Å²	49.4	53%	0.526	24%	0.242	S	C	.	.	H	α-helix	trans	-62.4	-33.8	-178	73.3	-81.6	0	0	0	113.5	F26 A197 I202 I203	F26-F200 AromaticContact CE1-CE1 3.97Å; F26-F200 HydrophobicContact CE1-CE1 3.97Å; F26-F200 HydrophobicContact CZ-CE1 4.26Å; A197-F200 WeakPolarHBondContact O-CD1 3.44Å; F200-I202 PolarHBondContact O-N 3.26Å; F200-I203 WeakPolarHBondContact O-CB 3.34Å; F200-I203 PolarHBondContact O-N 3.02Å
201	L	84.5	Confident	84.3	Confident	31 Å²	31	55.1 Å²	55.1	16%	0.162	27%	0.267	C	S	.	.	H	α-helix	trans	-65.5	-23.5	179.7	-71.3	-175.2	0	0	0	113.4	L23 F26 S199 I203 F204 Q205	L23-L201 HydrophobicContact CD2-CD1 4.49Å; F26-L201 HydrophobicContact CB-CD1 3.72Å; F26-L201 HydrophobicContact CD1-CD1 3.53Å; F26-L201 HydrophobicContact CD1-CG 4.18Å; F26-L201 HydrophobicContact CD2-CD1 4.31Å; F26-L201 HydrophobicContact CE1-CD1 4.18Å; F26-L201 HydrophobicContact CG-CD1 3.58Å; S199-L201 VanDerWaalsContact C-N 3.32Å; S199-L201 PolarHBondContact O-N 3.39Å; L201-I203 VanDerWaalsContact C-N 3.25Å; L201-I203 PolarHBondContact O-N 3.45Å; L201-F204 WeakPolarHBondContact O-CB 3.37Å; L201-F204 PolarHBondContact O-N 2.71Å; L201-Q205 WeakPolarHBondContact O-CG 3.39Å; L201-Q205 PolarHBondContact O-N 3.18Å
202	I	86.3	Confident	84.5	Confident	4 Å²	4	55.3 Å²	55.3	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-63.3	-36.9	178.5	-57.4	160	0	0	0	110.1	P27 W106 F109 A110 S199 F200 F204 Q205 F206	P27-I202 HydrophobicContact CB-CD1 4.25Å; P27-I202 HydrophobicContact CB-CG1 4.24Å; P27-I202 HydrophobicContact CG-CG1 4.24Å; W106-I202 HydrophobicContact CB-CG2 4.27Å; F109-I202 HydrophobicContact CB-CD1 3.7Å; F109-I202 HydrophobicContact CB-CG1 4.36Å; A110-I202 HydrophobicContact CB-CG2 4.22Å; S199-I202 WeakPolarHBondContact O-CB 3.41Å; S199-I202 PolarHBondContact O-N 2.97Å; F200-I202 PolarHBondContact O-N 3.26Å; I202-F204 VanDerWaalsContact C-N 3.32Å; I202-F204 PolarHBondContact O-N 3.3Å; I202-Q205 PolarHBondContact O-N 2.92Å; I202-Q205 VanDerWaalsContact O-N 3.17Å; I202-F206 HydrophobicContact CG2-CD2 3.91Å; I202-F206 HydrophobicContact CG2-CE2 3.56Å; I202-F206 VanDerWaalsContact O-CD2 3.25Å; I202-F206 WeakPolarHBondContact O-CD2 3.42Å; I202-F206 PolarHBondContact O-N 2.69Å; I202-F206 VanDerWaalsContact O-N 3.1Å
203	I	85.3	Confident	84.6	Confident	126 Å²	126	55.2 Å²	55.2	65%	0.646	27%	0.274	S	S	*	.	H	α-helix	trans	-60.8	-43	177.3	-55.5	174.5	0	0	0	110.5	F200 L201 Q205 F206 F207	F200-I203 WeakPolarHBondContact O-CB 3.34Å; F200-I203 PolarHBondContact O-N 3.02Å; L201-I203 VanDerWaalsContact C-N 3.25Å; L201-I203 PolarHBondContact O-N 3.45Å; I203-Q205 VanDerWaalsContact C-N 3.33Å; I203-Q205 PolarHBondContact O-N 3.3Å; I203-F206 PolarHBondContact O-N 3.07Å; I203-F207 PolarHBondContact O-N 3.38Å
204	F	86.3	Confident	84.7	Confident	87 Å²	87	53.4 Å²	53.4	38%	0.382	26%	0.264	S	S	.	.	H	α-helix	trans	-64.4	-35.9	176.9	-179.9	-92	0	0	0	112.5	V20 L23 L201 I202 F207 Y208	V20-F204 HydrophobicContact CG2-CE1 4.28Å; L23-F204 HydrophobicContact CD1-CD1 3.5Å; L23-F204 VanDerWaalsContact CD1-CD1 3.5Å; L23-F204 HydrophobicContact CD1-CE1 3.52Å; L201-F204 WeakPolarHBondContact O-CB 3.37Å; L201-F204 PolarHBondContact O-N 2.71Å; I202-F204 VanDerWaalsContact C-N 3.32Å; I202-F204 PolarHBondContact O-N 3.3Å; F204-F207 PolarHBondContact O-N 3.02Å; F204-Y208 HydrophobicContact CD1-CD2 4.27Å; F204-Y208 HydrophobicContact CD2-CD2 4.37Å; F204-Y208 HydrophobicContact CD2-CE2 4.27Å; F204-Y208 AromaticContact CE1-CD2 3.78Å; F204-Y208 HydrophobicContact CE1-CD2 3.78Å; F204-Y208 AromaticContact CE1-CE2 3.98Å; F204-Y208 HydrophobicContact CE1-CE2 3.98Å; F204-Y208 AromaticContact CE2-CD2 3.9Å; F204-Y208 HydrophobicContact CE2-CD2 3.9Å; F204-Y208 AromaticContact CE2-CE2 3.46Å; F204-Y208 HydrophobicContact CE2-CE2 3.46Å; F204-Y208 VanDerWaalsContact CE2-CE2 3.46Å; F204-Y208 AromaticContact CZ-CD2 3.58Å; F204-Y208 HydrophobicContact CZ-CD2 3.58Å; F204-Y208 AromaticContact CZ-CE2 3.28Å; F204-Y208 HydrophobicContact CZ-CE2 3.28Å; F204-Y208 PolarHBondContact O-N 2.62Å
205	Q	88.8	Confident	84.6	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-68.7	-38.3	177.1	-64.6	-174.2	-66.5	0	0	112.5	V20 L23 T24 W106 L201 I202 I203 F207 Y208 Y209	V20-Q205 HydrophobicContact CG1-CG 4.46Å; V20-Q205 PolarHBondContact O-NE2 2.72Å; L23-Q205 HydrophobicContact CB-CG 4.3Å; T24-Q205 PolarHBondContact OG1-NE2 2.92Å; W106-Q205 HydrophobicContact CD2-CB 3.95Å; W106-Q205 HydrophobicContact CE3-CB 3.91Å; W106-Q205 HydrophobicContact CH2-CB 3.93Å; W106-Q205 HydrophobicContact CZ2-CB 3.95Å; W106-Q205 HydrophobicContact CZ2-CG 4.27Å; W106-Q205 HydrophobicContact CZ3-CB 3.9Å; W106-Q205 WeakPolarHBondContact CZ3-O 3.17Å; L201-Q205 WeakPolarHBondContact O-CG 3.39Å; L201-Q205 PolarHBondContact O-N 3.18Å; I202-Q205 PolarHBondContact O-N 2.92Å; I202-Q205 VanDerWaalsContact O-N 3.17Å; I203-Q205 VanDerWaalsContact C-N 3.33Å; I203-Q205 PolarHBondContact O-N 3.3Å; Q205-F207 VanDerWaalsContact C-N 3.34Å; Q205-F207 PolarHBondContact O-N 3.4Å; Q205-Y208 PolarHBondContact O-N 3.25Å; Q205-Y209 PolarHBondContact O-N 2.84Å; Q205-Y209 VanDerWaalsContact O-N 3.1Å
206	F	89.6	Confident	84.2	Confident	77 Å²	77	54 Å²	54	34%	0.338	27%	0.268	S	S	.	.	H	α-helix	trans	-61.4	-40.4	171.7	-79.1	-66.5	0	0	0	112.3	L103 W106 I107 A110 I202 I203 Y208 Y209	L103-F206 HydrophobicContact CD1-CD1 3.99Å; L103-F206 HydrophobicContact CD1-CE1 3.63Å; W106-F206 HydrophobicContact CB-CE1 4.42Å; W106-F206 HydrophobicContact CB-CE2 4.24Å; W106-F206 HydrophobicContact CB-CZ 3.94Å; I107-F206 HydrophobicContact CG1-CE1 4.1Å; I107-F206 HydrophobicContact CG1-CZ 3.89Å; A110-F206 HydrophobicContact CB-CE2 4.38Å; I202-F206 HydrophobicContact CG2-CD2 3.91Å; I202-F206 HydrophobicContact CG2-CE2 3.56Å; I202-F206 VanDerWaalsContact O-CD2 3.25Å; I202-F206 WeakPolarHBondContact O-CD2 3.42Å; I202-F206 PolarHBondContact O-N 2.69Å; I202-F206 VanDerWaalsContact O-N 3.1Å; I203-F206 PolarHBondContact O-N 3.07Å; F206-Y208 PolarHBondContact O-N 3.31Å; F206-Y209 WeakPolarHBondContact O-CB 3.14Å; F206-Y209 PolarHBondContact O-N 2.93Å
207	F	88.4	Confident	83.6	Confident	148 Å²	148	53.1 Å²	53.1	65%	0.649	27%	0.266	S	S	*	.	H	α-helix	trans	-61.9	-40.9	177.5	-178.7	-98.8	0	0	0	113.1	I203 F204 Q205 P210	I203-F207 PolarHBondContact O-N 3.38Å; F204-F207 PolarHBondContact O-N 3.02Å; Q205-F207 VanDerWaalsContact C-N 3.34Å; Q205-F207 PolarHBondContact O-N 3.4Å; F207-P210 WeakPolarHBondContact O-CD 3.26Å
208	Y	85.8	Confident	83.5	Confident	76 Å²	76	53.7 Å²	53.7	30%	0.298	26%	0.262	S	S	.	.	H	α-helix	trans	-84.3	-12.2	-179.6	-88.8	-87.6	0	0	0	115.1	I16 V20 F204 Q205 F206 F211	I16-Y208 HydrophobicContact CG2-CE1 4.24Å; V20-Y208 HydrophobicContact CG1-CG 4.45Å; V20-Y208 HydrophobicContact CG2-CD1 4.03Å; V20-Y208 HydrophobicContact CG2-CD2 4.36Å; V20-Y208 HydrophobicContact CG2-CG 3.83Å; F204-Y208 HydrophobicContact CD1-CD2 4.27Å; F204-Y208 HydrophobicContact CD2-CD2 4.37Å; F204-Y208 HydrophobicContact CD2-CE2 4.27Å; F204-Y208 AromaticContact CE1-CD2 3.78Å; F204-Y208 HydrophobicContact CE1-CD2 3.78Å; F204-Y208 AromaticContact CE1-CE2 3.98Å; F204-Y208 HydrophobicContact CE1-CE2 3.98Å; F204-Y208 AromaticContact CE2-CD2 3.9Å; F204-Y208 HydrophobicContact CE2-CD2 3.9Å; F204-Y208 AromaticContact CE2-CE2 3.46Å; F204-Y208 HydrophobicContact CE2-CE2 3.46Å; F204-Y208 VanDerWaalsContact CE2-CE2 3.46Å; F204-Y208 AromaticContact CZ-CD2 3.58Å; F204-Y208 HydrophobicContact CZ-CD2 3.58Å; F204-Y208 AromaticContact CZ-CE2 3.28Å; F204-Y208 HydrophobicContact CZ-CE2 3.28Å; F204-Y208 PolarHBondContact O-N 2.62Å; Q205-Y208 PolarHBondContact O-N 3.25Å; F206-Y208 PolarHBondContact O-N 3.31Å; Y208-F211 HydrophobicContact CD1-CD2 4.5Å; Y208-F211 PolarHBondContact O-N 2.99Å
209	Y	87.6	Confident	83.2	Confident	60 Å²	60	57.3 Å²	57.3	24%	0.235	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-48.8	-41.2	-178.3	172.3	-99.2	0	0	0	116	K99 L103 W106 Q205 F206 F211 I212	K99-Y209 HydrophobicContact CD-CE2 4.16Å; K99-Y209 VanDerWaalsContact CE-CZ 3.43Å; K99-Y209 VanDerWaalsContact CE-O 3.27Å; K99-Y209 WeakPolarHBondContact CE-O 3.35Å; K99-Y209 HydrophobicContact CG-CE2 3.72Å; K99-Y209 PolarHBondContact NZ-O 3.25Å; L103-Y209 HydrophobicContact CB-CD2 4.42Å; L103-Y209 HydrophobicContact CB-CE2 3.91Å; L103-Y209 HydrophobicContact CD1-CD2 4.01Å; L103-Y209 HydrophobicContact CD1-CE2 4.09Å; L103-Y209 HydrophobicContact CD1-CG 4.3Å; L103-Y209 HydrophobicContact CD2-CE1 4.3Å; L103-Y209 HydrophobicContact CD2-CE2 4.04Å; L103-Y209 HydrophobicContact CG-CE2 4.23Å; W106-Y209 HydrophobicContact CZ3-CD2 4.16Å; Q205-Y209 PolarHBondContact O-N 2.84Å; Q205-Y209 VanDerWaalsContact O-N 3.1Å; F206-Y209 WeakPolarHBondContact O-CB 3.14Å; F206-Y209 PolarHBondContact O-N 2.93Å; Y209-F211 VanDerWaalsContact C-N 3.28Å; Y209-F211 PolarHBondContact O-N 3.22Å; Y209-I212 PolarHBondContact O-N 2.98Å
210	P	86.4	Confident	82.5	Confident	87 Å²	87	59.4 Å²	59.4	57%	0.565	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-58.8	-39.6	-177.8	-26.2	36.7	0	0	0	112.9	K99 F207 I212	K99-P210 PolarHBondContact NZ-O 2.8Å; F207-P210 WeakPolarHBondContact O-CD 3.26Å; P210-I212 PolarHBondContact O-N 3.4Å
211	F	84.3	Confident	81.7	Confident	122 Å²	122	56.1 Å²	56.1	54%	0.535	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-77.2	-18.5	-173.6	-53.4	-81.4	0	0	0	114	Y17 Y208 Y209 P213	Y17-F211 HydrophobicContact CE1-CB 3.8Å; Y17-F211 WeakPolarHBondContact CE1-O 3.37Å; Y17-F211 PolarHBondContact OH-O 3.15Å; Y208-F211 HydrophobicContact CD1-CD2 4.5Å; Y208-F211 PolarHBondContact O-N 2.99Å; Y209-F211 VanDerWaalsContact C-N 3.28Å; Y209-F211 PolarHBondContact O-N 3.22Å; F211-P213 WeakPolarHBondContact O-CD 3.01Å
212	I	84	Confident	80.9	Confident	6 Å²	6	59.3 Å²	59.3	3%	0.031	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-69.3	124.5	-178.6	-64.7	174.6	0	0	0	110.1	Y17 V20 I21 K99 W106 Y146 Y209 P210	Y17-I212 HydrophobicContact CD1-CG1 4.39Å; V20-I212 HydrophobicContact CG1-CD1 4.07Å; I21-I212 HydrophobicContact CD1-CD1 4.26Å; I21-I212 HydrophobicContact CD1-CG2 3.85Å; I21-I212 HydrophobicContact CG1-CD1 3.97Å; K99-I212 HydrophobicContact CD-CG2 4.49Å; K99-I212 VanDerWaalsContact CD-O 3.32Å; K99-I212 WeakPolarHBondContact CD-O 3.48Å; K99-I212 VanDerWaalsContact CE-O 3.27Å; K99-I212 WeakPolarHBondContact CE-O 3.49Å; K99-I212 PolarHBondContact NZ-O 3.02Å; W106-I212 HydrophobicContact CH2-CD1 4.04Å; Y146-I212 WeakPolarHBondContact OH-CG2 3.37Å; Y209-I212 PolarHBondContact O-N 2.98Å; P210-I212 PolarHBondContact O-N 3.4Å
213	P	85.4	Confident	79.5	Confident	50 Å²	50	63.7 Å²	63.7	33%	0.325	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-75	166.8	174	32.1	-36.4	0	0	0	112.1	Y17 Y146 M150 F211	Y17-P213 HydrophobicContact CD2-CG 3.87Å; Y17-P213 HydrophobicContact CE2-CG 4.18Å; Y146-P213 PolarHBondContact OH-O 2.96Å; Y146-P213 VanDerWaalsContact OH-O 3.09Å; M150-P213 HydrophobicContact CE-CG 3.59Å; F211-P213 WeakPolarHBondContact O-CD 3.01Å
214	E	85.4	Confident	77.8	Confident	35 Å²	35	65 Å²	65	16%	0.164	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-84.5	155.8	167.8	-174.7	55.9	-92.6	0	0	110.6	G97 R98 K99 W218 L219	G97-E214 WeakPolarHBondContact CA-OE2 3.42Å; R98-E214 PolarHBondContact N-OE1 3.36Å; R98-E214 PolarHBondContact N-OE2 2.8Å; K99-E214 VanDerWaalsContact CB-OE2 3.27Å; K99-E214 WeakPolarHBondContact CB-OE2 3.32Å; K99-E214 PolarHBondContact N-OE1 3.5Å; K99-E214 VanDerWaalsContact N-OE1 3.16Å; K99-E214 PolarHBondContact N-OE2 3.12Å; E214-W218 HydrophobicContact CG-CD2 4.45Å; E214-W218 HydrophobicContact CG-CE3 3.71Å; E214-W218 HydrophobicContact CG-CZ3 4.14Å; E214-L219 HydrophobicContact CG-CG 4.47Å
215	S	82.1	Confident	75.7	Confident	0 Å²	0	65 Å²	65	0%	0	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-60.1	130.9	-179.1	169.3	0	0	0	0	112.6	E149 G217 W218 L219	E149-S215 VanDerWaalsContact CB-OG 3.23Å; E149-S215 WeakPolarHBondContact CB-OG 3.41Å; E149-S215 WeakPolarHBondContact OE2-CB 3.44Å; E149-S215 PolarHBondContact OE2-OG 3.19Å; S215-G217 PolarHBondContact O-N 3.15Å; S215-G217 PolarHBondContact OG-N 2.96Å; S215-G217 VanDerWaalsContact OG-N 3.14Å; S215-W218 PolarHBondContact O-N 3.46Å; S215-W218 VanDerWaalsContact O-N 3.16Å; S215-L219 WeakPolarHBondContact O-CG 3.29Å; S215-L219 PolarHBondContact O-N 2.91Å
216	P	74	Confident	73.6	Confident	18 Å²	18	67.9 Å²	67.9	12%	0.117	35%	0.353	C	S	.	.	H	α-helix	trans	-63.8	-27.9	174.3	28.1	-35.3	0	0	0	112.1	M150 W218 L219 A220	M150-P216 WeakPolarHBondContact SD-CD 3.45Å; M150-P216 HydrophobicContact SD-CG 4.27Å; P216-W218 VanDerWaalsContact C-N 3.34Å; P216-L219 PolarHBondContact O-N 2.72Å; P216-A220 WeakPolarHBondContact O-CB 3.45Å; P216-A220 PolarHBondContact O-N 3.4Å
217	G	70.8	Confident	71.1	Confident	22 Å²	22	69.3 Å²	69.3	23%	0.227	36%	0.364	C	S	.	.	H	α-helix	trans	-67.5	-33.9	176.1	0	0	0	0	0	112.9	S215 S221	S215-G217 PolarHBondContact O-N 3.15Å; S215-G217 PolarHBondContact OG-N 2.96Å; S215-G217 VanDerWaalsContact OG-N 3.14Å; G217-S221 PolarHBondContact O-N 3.36Å
218	W	77.8	Confident	68.6	Low	40 Å²	40	66.8 Å²	66.8	15%	0.152	37%	0.365	C	S	.	.	H	α-helix	trans	-79.4	-39.6	173.9	-174.3	90.6	0	0	0	111.8	D94 E214 S215 P216 A220 S221 K222	D94-W218 PolarHBondContact O-NE1 3.15Å; E214-W218 HydrophobicContact CG-CD2 4.45Å; E214-W218 HydrophobicContact CG-CE3 3.71Å; E214-W218 HydrophobicContact CG-CZ3 4.14Å; S215-W218 PolarHBondContact O-N 3.46Å; S215-W218 VanDerWaalsContact O-N 3.16Å; P216-W218 VanDerWaalsContact C-N 3.34Å; W218-A220 VanDerWaalsContact C-N 3.31Å; W218-A220 PolarHBondContact O-N 2.97Å; W218-S221 PolarHBondContact O-N 3.42Å; W218-S221 VanDerWaalsContact O-N 3.16Å; W218-S221 PolarHBondContact O-OG 3.37Å; W218-K222 HydrophobicContact CD2-CG 4.05Å; W218-K222 HydrophobicContact CE3-CG 4.12Å; W218-K222 HydrophobicContact CH2-CG 4.05Å; W218-K222 HydrophobicContact CZ2-CD 4.18Å; W218-K222 HydrophobicContact CZ2-CG 3.98Å; W218-K222 HydrophobicContact CZ3-CG 4.11Å; W218-K222 WeakPolarHBondContact O-CG 3.07Å; W218-K222 PolarHBondContact O-N 3.32Å; W218-K222 VanDerWaalsContact O-N 3.12Å
219	L	71.9	Confident	66.4	Low	75 Å²	75	66.2 Å²	66.2	39%	0.393	37%	0.371	S	S	.	.	H	α-helix	trans	-60.8	-40.8	174	-68	170.4	0	0	0	111.7	E214 S215 P216 S221 K222 N223	E214-L219 HydrophobicContact CG-CG 4.47Å; S215-L219 WeakPolarHBondContact O-CG 3.29Å; S215-L219 PolarHBondContact O-N 2.91Å; P216-L219 PolarHBondContact O-N 2.72Å; L219-S221 VanDerWaalsContact C-N 3.33Å; L219-S221 PolarHBondContact O-N 2.79Å; L219-K222 PolarHBondContact O-N 2.8Å; L219-N223 WeakPolarHBondContact O-CB 3.33Å; L219-N223 PolarHBondContact O-N 3.17Å
220	A	65.7	Low	64.3	Low	64 Å²	64	67 Å²	67	53%	0.529	39%	0.385	S	S	.	.	H	α-helix	trans	-67.5	-27.6	175.5	0	0	0	0	0	113.7	P216 W218	P216-A220 WeakPolarHBondContact O-CB 3.45Å; P216-A220 PolarHBondContact O-N 3.4Å; W218-A220 VanDerWaalsContact C-N 3.31Å; W218-A220 PolarHBondContact O-N 2.97Å
221	S	65.8	Low	62.1	Low	51 Å²	51	68 Å²	68	36%	0.357	39%	0.39	S	S	.	.	H	α-helix	trans	-82.1	-17.4	174.6	72.2	0	0	0	0	113.5	G217 W218 L219	G217-S221 PolarHBondContact O-N 3.36Å; W218-S221 PolarHBondContact O-N 3.42Å; W218-S221 VanDerWaalsContact O-N 3.16Å; W218-S221 PolarHBondContact O-OG 3.37Å; L219-S221 VanDerWaalsContact C-N 3.33Å; L219-S221 PolarHBondContact O-N 2.79Å
222	K	67.3	Low	59.8	Low	97 Å²	97	65.8 Å²	65.8	42%	0.422	40%	0.401	S	S	.	.	H	α-helix	trans	-92.9	-34.2	174.8	-63.2	-69.3	177.8	170.9	0	113.4	D94 W218 L219 Q224	D94-K222 PolarHBondContact O-NZ 3.47Å; W218-K222 HydrophobicContact CD2-CG 4.05Å; W218-K222 HydrophobicContact CE3-CG 4.12Å; W218-K222 HydrophobicContact CH2-CG 4.05Å; W218-K222 HydrophobicContact CZ2-CD 4.18Å; W218-K222 HydrophobicContact CZ2-CG 3.98Å; W218-K222 HydrophobicContact CZ3-CG 4.11Å; W218-K222 WeakPolarHBondContact O-CG 3.07Å; W218-K222 PolarHBondContact O-N 3.32Å; W218-K222 VanDerWaalsContact O-N 3.12Å; L219-K222 PolarHBondContact O-N 2.8Å; K222-Q224 PolarHBondContact O-N 3.13Å
223	N	57.3	Low	57.5	Low	97 Å²	97	70.5 Å²	70.5	52%	0.519	44%	0.441	S	S	.	.	S	Bend	trans	-81.8	100.6	179.8	-79.3	-5	0	0	0	112.1	L219 M225	L219-N223 WeakPolarHBondContact O-CB 3.33Å; L219-N223 PolarHBondContact O-N 3.17Å; N223-M225 PolarHBondContact O-N 2.82Å
224	Q	49.6	Very low	55.3	Low	152 Å²	152	71.8 Å²	71.8	71%	0.71	46%	0.456	S	S	*	.			trans	-72.3	55.1	-173.8	-59.5	177.3	-11.2	0	0	114.8	K222 C226	K222-Q224 PolarHBondContact O-N 3.13Å; Q224-C226 PolarHBondContact O-N 3.46Å
225	M	42	Very low	53.1	Low	89 Å²	89	82 Å²	82	44%	0.438	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-15.9	-169.9	-71.2	179.9	74.6	0	0	116.6	N223 M248 Q256	N223-M225 PolarHBondContact O-N 2.82Å; M225-M248 HydrophobicContact CE-SD 3.68Å; M225-M248 HydrophobicContact SD-CE 3.97Å; M225-M248 HydrophobicContact SD-SD 3.73Å; M225-Q256 PolarHBondContact SD-NE2 3.38Å; M225-Q256 VanDerWaalsContact SD-NE2 3.4Å
226	C	43.6	Very low	51.2	Low	60 Å²	60	85.3 Å²	85.3	41%	0.405	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-11.1	-175.3	-67	0	0	0	0	115.5	Q224 S228 C229 S230	Q224-C226 PolarHBondContact O-N 3.46Å; C226-S228 VanDerWaalsContact C-N 3.25Å; C226-S228 PolarHBondContact O-N 3.23Å; C226-C229 PolarHBondContact O-N 3.11Å; C226-S230 PolarHBondContact O-N 2.6Å; C226-S230 PolarHBondContact O-OG 3.1Å
227	N	38.4	Very low	49.8	Very low	107 Å²	107	87.2 Å²	87.2	57%	0.572	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-19.9	-174.7	-78.3	-1.6	0	0	0	113.8
228	S	35.7	Very low	48.9	Very low	95 Å²	95	91.4 Å²	91.4	66%	0.664	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-10.4	179.1	-51.4	0	0	0	0	114.2	C226	C226-S228 VanDerWaalsContact C-N 3.25Å; C226-S228 PolarHBondContact O-N 3.23Å
229	C	38.5	Very low	47.5	Very low	64 Å²	64	93.5 Å²	93.5	43%	0.432	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104.9	-13.8	-178.3	-61.4	0	0	0	0	113.2	C226	C226-C229 PolarHBondContact O-N 3.11Å
230	S	44.3	Very low	46.6	Very low	77 Å²	77	91.9 Å²	91.9	54%	0.538	56%	0.558	S	S	.	*	S	Bend	trans	-86.3	-19	-179.1	52	0	0	0	0	113.7	C226 G232	C226-S230 PolarHBondContact O-N 2.6Å; C226-S230 PolarHBondContact O-OG 3.1Å; S230-G232 PolarHBondContact O-N 2.72Å; S230-G232 VanDerWaalsContact O-N 3.15Å
231	T	39.9	Very low	45.7	Very low	107 Å²	107	93.1 Å²	93.1	66%	0.656	55%	0.554	S	S	*	*	S	Bend	trans	-74.1	94	161	46	0	0	0	0	108.6	A233	T231-A233 PolarHBondContact O-N 3.23Å
232	G	36.6	Very low	45	Very low	75 Å²	75	95.4 Å²	95.4	77%	0.773	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	117.6	-168.3	0	0	0	0	0	114.2	S230	S230-G232 PolarHBondContact O-N 2.72Å; S230-G232 VanDerWaalsContact O-N 3.15Å
233	A	35.5	Very low	44.3	Very low	106 Å²	106	98.3 Å²	98.3	88%	0.876	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-174.3	-41.5	158.4	0	0	0	0	0	110.7	T231 R235	T231-A233 PolarHBondContact O-N 3.23Å; A233-R235 PolarHBondContact O-N 3.19Å
234	A	38.6	Very low	43.9	Very low	76 Å²	76	101.1 Å²	101.1	63%	0.628	57%	0.573	S	S	*	*			trans	-91.9	103.3	-172.8	0	0	0	0	0	112.3	C236	A234-C236 PolarHBondContact O-N 3.22Å
235	R	40.2	Very low	43.9	Very low	249 Å²	249	95.2 Å²	95.2	94%	0.94	55%	0.547	S	S	*	.			trans	-64	98	161.3	-172.9	-174.4	-94.1	176.4	-6.4	107.2	A233 S237	A233-R235 PolarHBondContact O-N 3.19Å; R235-S237 PolarHBondContact O-N 3.29Å; R235-S237 VanDerWaalsContact O-N 3.13Å
236	C	42.3	Very low	44.1	Very low	70 Å²	70	95 Å²	95	47%	0.473	55%	0.554	S	S	.	*			trans	-51.3	120.2	178	-117.3	0	0	0	0	109.3	A234	A234-C236 PolarHBondContact O-N 3.22Å
237	S	44.1	Very low	44.5	Very low	59 Å²	59	98.6 Å²	98.6	41%	0.413	57%	0.569	S	S	.	*			trans	-66.8	142.6	-179.9	65.4	0	0	0	0	109.9	R235 S239 E240 M241	R235-S237 PolarHBondContact O-N 3.29Å; R235-S237 VanDerWaalsContact O-N 3.13Å; S237-S239 WeakPolarHBondContact CB-OG 3.41Å; S237-S239 PolarHBondContact O-N 3.49Å; S237-S239 PolarHBondContact OG-OG 2.94Å; S237-E240 PolarHBondContact O-N 2.88Å; S237-E240 PolarHBondContact OG-N 3.05Å; S237-M241 PolarHBondContact O-N 3.38Å; S237-M241 VanDerWaalsContact O-N 3.12Å
238	D	52.1	Low	45.1	Very low	110 Å²	110	95.1 Å²	95.1	59%	0.588	55%	0.55	S	S	*	.	H	α-helix	trans	-56.7	-27	177.2	-64.4	-57.2	0	0	0	111.7	M241 N242	D238-M241 VanDerWaalsContact OD1-CE 3.25Å; D238-M241 WeakPolarHBondContact OD1-CE 3.48Å; D238-N242 WeakPolarHBondContact O-CB 3.35Å; D238-N242 PolarHBondContact O-N 3.09Å; D238-N242 PolarHBondContact O-ND2 2.93Å
239	S	48.3	Very low	45.9	Very low	84 Å²	84	93.1 Å²	93.1	59%	0.587	54%	0.544	S	S	*	.	H	α-helix	trans	-64.2	-46.3	173.5	54.2	0	0	0	0	114.1	S237 R243	S237-S239 WeakPolarHBondContact CB-OG 3.41Å; S237-S239 PolarHBondContact O-N 3.49Å; S237-S239 PolarHBondContact OG-OG 2.94Å; S239-R243 VanDerWaalsContact O-CB 3.31Å; S239-R243 WeakPolarHBondContact O-CB 3.41Å; S239-R243 PolarHBondContact O-N 3.25Å
240	E	52.6	Low	46.2	Very low	40 Å²	40	97.5 Å²	97.5	19%	0.187	56%	0.558	C	S	.	*	H	α-helix	trans	-75.7	-33.7	-179.8	-177	64.1	178.4	0	0	111.3	S237 R243 R244	S237-E240 PolarHBondContact O-N 2.88Å; S237-E240 PolarHBondContact OG-N 3.05Å; E240-R243 VanDerWaalsContact CD-NH2 3.33Å; E240-R243 PolarHBondContact O-N 3.43Å; E240-R243 IonicContact OE1-NH2 3.15Å; E240-R243 PolarHBondContact OE1-NH2 2.85Å; E240-R243 VanDerWaalsContact OE1-NH2 3.15Å; E240-R243 IonicContact OE2-CZ 3.13Å; E240-R243 IonicContact OE2-NE 2.77Å; E240-R243 PolarHBondContact OE2-NE 3.22Å; E240-R243 IonicContact OE2-NH2 2.73Å; E240-R243 PolarHBondContact OE2-NH2 2.92Å; E240-R244 WeakPolarHBondContact O-CG 3.47Å; E240-R244 PolarHBondContact O-N 3.32Å; E240-R244 IonicContact OE1-CZ 2.6Å; E240-R244 IonicContact OE1-NE 3.74Å; E240-R244 PolarHBondContact OE1-NE 3.33Å; E240-R244 IonicContact OE1-NH2 2.87Å; E240-R244 PolarHBondContact OE1-NH2 3.16Å
241	M	48.2	Very low	46.4	Very low	90 Å²	90	98.1 Å²	98.1	44%	0.443	56%	0.559	S	S	.	*	H	α-helix	trans	-59.2	-52.5	170.2	-179.7	166.3	61.1	0	0	110.7	S237 D238 R243 R244 L245	S237-M241 PolarHBondContact O-N 3.38Å; S237-M241 VanDerWaalsContact O-N 3.12Å; D238-M241 VanDerWaalsContact OD1-CE 3.25Å; D238-M241 WeakPolarHBondContact OD1-CE 3.48Å; M241-R243 VanDerWaalsContact C-N 3.35Å; M241-R243 PolarHBondContact O-N 3.05Å; M241-R244 PolarHBondContact O-N 3.29Å; M241-L245 HydrophobicContact CG-CD1 3.81Å; M241-L245 WeakPolarHBondContact O-CB 3.41Å; M241-L245 PolarHBondContact O-N 3.27Å
242	N	50.9	Low	47	Very low	100 Å²	100	94.4 Å²	94.4	54%	0.535	54%	0.539	S	S	.	.	H	α-helix	trans	-61.2	-39.5	177.2	-74.5	-30.7	0	0	0	112.6	D238 R244 L245 S246	D238-N242 WeakPolarHBondContact O-CB 3.35Å; D238-N242 PolarHBondContact O-N 3.09Å; D238-N242 PolarHBondContact O-ND2 2.93Å; N242-R244 PolarHBondContact O-N 2.95Å; N242-L245 PolarHBondContact O-N 2.74Å; N242-S246 PolarHBondContact O-N 3.28Å
243	R	50.9	Low	47.6	Very low	157 Å²	157	93.8 Å²	93.8	59%	0.592	52%	0.516	S	S	*	.	H	α-helix	trans	-67.8	-30.3	178.3	-168.6	174.1	72.3	139.2	4.1	113.6	S239 E240 M241 S246	S239-R243 VanDerWaalsContact O-CB 3.31Å; S239-R243 WeakPolarHBondContact O-CB 3.41Å; S239-R243 PolarHBondContact O-N 3.25Å; E240-R243 VanDerWaalsContact CD-NH2 3.33Å; E240-R243 PolarHBondContact O-N 3.43Å; E240-R243 IonicContact OE1-NH2 3.15Å; E240-R243 PolarHBondContact OE1-NH2 2.85Å; E240-R243 VanDerWaalsContact OE1-NH2 3.15Å; E240-R243 IonicContact OE2-CZ 3.13Å; E240-R243 IonicContact OE2-NE 2.77Å; E240-R243 PolarHBondContact OE2-NE 3.22Å; E240-R243 IonicContact OE2-NH2 2.73Å; E240-R243 PolarHBondContact OE2-NH2 2.92Å; M241-R243 VanDerWaalsContact C-N 3.35Å; M241-R243 PolarHBondContact O-N 3.05Å; R243-S246 PolarHBondContact O-OG 3.48Å
244	R	48.9	Very low	48.3	Very low	156 Å²	156	90.8 Å²	90.8	59%	0.589	48%	0.484	S	S	*	.	H	α-helix	trans	-83.8	-32.6	173.8	-67	-174.3	-171.9	-159.5	3.7	112.1	E240 M241 N242 S246 N247 M248	E240-R244 WeakPolarHBondContact O-CG 3.47Å; E240-R244 PolarHBondContact O-N 3.32Å; E240-R244 IonicContact OE1-CZ 2.6Å; E240-R244 IonicContact OE1-NE 3.74Å; E240-R244 PolarHBondContact OE1-NE 3.33Å; E240-R244 IonicContact OE1-NH2 2.87Å; E240-R244 PolarHBondContact OE1-NH2 3.16Å; M241-R244 PolarHBondContact O-N 3.29Å; N242-R244 PolarHBondContact O-N 2.95Å; R244-S246 VanDerWaalsContact C-N 3.32Å; R244-S246 PolarHBondContact O-N 3.25Å; R244-N247 PolarHBondContact O-N 2.92Å; R244-M248 PolarHBondContact O-N 3.1Å
245	L	49.7	Very low	49	Very low	28 Å²	28	91.5 Å²	91.5	15%	0.147	47%	0.471	C	S	.	.	H	α-helix	trans	-60.3	-37.1	169.1	-92	149.5	0	0	0	112.5	M241 N242 N247 M248 H253	M241-L245 HydrophobicContact CG-CD1 3.81Å; M241-L245 WeakPolarHBondContact O-CB 3.41Å; M241-L245 PolarHBondContact O-N 3.27Å; N242-L245 PolarHBondContact O-N 2.74Å; L245-N247 VanDerWaalsContact C-N 3.27Å; L245-N247 PolarHBondContact O-N 3.12Å; L245-M248 WeakPolarHBondContact O-CB 3.4Å; L245-M248 PolarHBondContact O-N 3Å; L245-H253 PolarHBondContact O-CD2 3.21Å
246	S	47.8	Very low	49.7	Very low	84 Å²	84	82.6 Å²	82.6	59%	0.587	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-25.2	174.8	59	0	0	0	0	114	N242 R243 R244	N242-S246 PolarHBondContact O-N 3.28Å; R243-S246 PolarHBondContact O-OG 3.48Å; R244-S246 VanDerWaalsContact C-N 3.32Å; R244-S246 PolarHBondContact O-N 3.25Å
247	N	51	Low	50.2	Low	136 Å²	136	81.3 Å²	81.3	73%	0.727	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-14.3	175.4	-69.2	-6.7	0	0	0	112.8	R244 L245 G249	R244-N247 PolarHBondContact O-N 2.92Å; L245-N247 VanDerWaalsContact C-N 3.27Å; L245-N247 PolarHBondContact O-N 3.12Å; N247-G249 PolarHBondContact O-N 3.1Å
248	M	50.5	Low	50.7	Low	34 Å²	34	83.4 Å²	83.4	17%	0.167	43%	0.431	C	S	.	.	S	Bend	trans	-77	106.7	170.1	-64.3	-175.1	66.6	0	0	108.4	M225 R244 L245 Q250 A252	M225-M248 HydrophobicContact CE-SD 3.68Å; M225-M248 HydrophobicContact SD-CE 3.97Å; M225-M248 HydrophobicContact SD-SD 3.73Å; R244-M248 PolarHBondContact O-N 3.1Å; L245-M248 WeakPolarHBondContact O-CB 3.4Å; L245-M248 PolarHBondContact O-N 3Å; M248-Q250 PolarHBondContact O-N 3.29Å; M248-A252 HydrophobicContact CB-CB 4.16Å; M248-A252 HydrophobicContact CE-CB 3.81Å
249	G	52.2	Low	50.8	Low	53 Å²	53	83.4 Å²	83.4	55%	0.546	42%	0.423	S	S	.	.			trans	-46.3	140.7	-179.9	0	0	0	0	0	111.9	N247 V251 A252	N247-G249 PolarHBondContact O-N 3.1Å; G249-V251 PolarHBondContact O-N 3.23Å; G249-A252 PolarHBondContact O-N 3.33Å
250	Q	45.5	Very low	51	Low	157 Å²	157	84.3 Å²	84.3	73%	0.734	42%	0.421	S	S	*	.	H	α-helix	trans	-42.7	-33.5	-158.3	-64.5	179	-7.7	0	0	116.6	M248 Q254	M248-Q250 PolarHBondContact O-N 3.29Å; Q250-Q254 WeakPolarHBondContact O-CB 3.45Å; Q250-Q254 VanDerWaalsContact O-CG 3.23Å; Q250-Q254 WeakPolarHBondContact O-CG 3.32Å; Q250-Q254 PolarHBondContact O-N 3.42Å; Q250-Q254 VanDerWaalsContact O-N 3.08Å
251	V	49.6	Very low	51	Low	89 Å²	89	89.2 Å²	89.2	54%	0.539	44%	0.438	S	S	.	.	H	α-helix	trans	-64.7	-41.3	176.9	-175.7	0	0	0	0	112.7	G249 Q254 Y255	G249-V251 PolarHBondContact O-N 3.23Å; V251-Q254 PolarHBondContact O-N 3.37Å; V251-Y255 PolarHBondContact O-N 3.25Å
252	A	50.7	Low	51.1	Low	30 Å²	30	88 Å²	88	25%	0.248	43%	0.433	C	S	.	.	H	α-helix	trans	-73.1	-41.9	-179	0	0	0	0	0	111.6	M248 G249 Q254 Y255 Q256	M248-A252 HydrophobicContact CB-CB 4.16Å; M248-A252 HydrophobicContact CE-CB 3.81Å; G249-A252 PolarHBondContact O-N 3.33Å; A252-Q254 VanDerWaalsContact C-N 3.31Å; A252-Q254 PolarHBondContact O-N 3.23Å; A252-Y255 PolarHBondContact O-N 3.45Å; A252-Q256 PolarHBondContact O-N 3.17Å; A252-Q256 VanDerWaalsContact O-N 3.09Å
253	H	49.3	Very low	51.2	Low	62 Å²	62	86.6 Å²	86.6	29%	0.287	43%	0.428	S	S	.	.	H	α-helix	trans	-58.5	-42.6	170.8	-174.1	-35.7	0	0	0	111.4	L245 Q256 D257	L245-H253 PolarHBondContact O-CD2 3.21Å; H253-Q256 PolarHBondContact O-N 3.07Å; H253-D257 IonicContact CE1-OD1 3.19Å; H253-D257 PolarHBondContact CE1-OD1 3.16Å; H253-D257 IonicContact CE1-OD2 2.76Å; H253-D257 IonicContact ND1-OD1 2.68Å; H253-D257 WeakPolarHBondContact O-CB 3.37Å; H253-D257 PolarHBondContact O-N 3.08Å
254	Q	51.5	Low	51	Low	42 Å²	42	83.7 Å²	83.7	20%	0.196	43%	0.431	C	S	.	.	H	α-helix	trans	-62.7	-41.9	176.1	-77	174.6	16.9	0	0	112.6	Q250 V251 A252 Q256 D257 E258	Q250-Q254 WeakPolarHBondContact O-CB 3.45Å; Q250-Q254 VanDerWaalsContact O-CG 3.23Å; Q250-Q254 WeakPolarHBondContact O-CG 3.32Å; Q250-Q254 PolarHBondContact O-N 3.42Å; Q250-Q254 VanDerWaalsContact O-N 3.08Å; V251-Q254 PolarHBondContact O-N 3.37Å; A252-Q254 VanDerWaalsContact C-N 3.31Å; A252-Q254 PolarHBondContact O-N 3.23Å; Q254-Q256 PolarHBondContact O-N 3.31Å; Q254-D257 PolarHBondContact O-N 3.16Å; Q254-E258 WeakPolarHBondContact O-CG 3.41Å; Q254-E258 PolarHBondContact O-N 3.13Å
255	Y	53.7	Low	51	Low	91 Å²	91	82.4 Å²	82.4	36%	0.357	43%	0.427	S	S	.	.	H	α-helix	trans	-63	-40.8	179.1	-174.3	-100.9	0	0	0	112.4	V251 A252 R259	V251-Y255 PolarHBondContact O-N 3.25Å; A252-Y255 PolarHBondContact O-N 3.45Å; Y255-R259 WeakPolarHBondContact O-CB 3.47Å; Y255-R259 PolarHBondContact O-N 3.48Å; Y255-R259 VanDerWaalsContact O-N 3.11Å
256	Q	54.5	Low	50.9	Low	62 Å²	62	87 Å²	87	29%	0.29	45%	0.445	S	S	.	.	H	α-helix	trans	-71.9	-41.1	179	-135.1	151.9	-17	0	0	111.9	M225 A252 H253 Q254 R259 L260	M225-Q256 PolarHBondContact SD-NE2 3.38Å; M225-Q256 VanDerWaalsContact SD-NE2 3.4Å; A252-Q256 PolarHBondContact O-N 3.17Å; A252-Q256 VanDerWaalsContact O-N 3.09Å; H253-Q256 PolarHBondContact O-N 3.07Å; Q254-Q256 PolarHBondContact O-N 3.31Å; Q256-R259 PolarHBondContact O-N 3.05Å; Q256-L260 WeakPolarHBondContact O-CG 3.36Å; Q256-L260 PolarHBondContact O-N 3.3Å
257	D	52.4	Low	50.4	Low	44 Å²	44	86 Å²	86	24%	0.235	45%	0.448	C	S	.	.	H	α-helix	trans	-58.2	-46.9	171.8	-103.7	29.2	0	0	0	112.6	H253 Q254 R259 L260 R261	H253-D257 IonicContact CE1-OD1 3.19Å; H253-D257 PolarHBondContact CE1-OD1 3.16Å; H253-D257 IonicContact CE1-OD2 2.76Å; H253-D257 IonicContact ND1-OD1 2.68Å; H253-D257 WeakPolarHBondContact O-CB 3.37Å; H253-D257 PolarHBondContact O-N 3.08Å; Q254-D257 PolarHBondContact O-N 3.16Å; D257-R259 VanDerWaalsContact C-N 3.31Å; D257-R259 PolarHBondContact O-N 3.06Å; D257-L260 PolarHBondContact O-N 3.12Å; D257-R261 WeakPolarHBondContact O-CB 3.35Å; D257-R261 WeakPolarHBondContact O-CD 3.46Å; D257-R261 WeakPolarHBondContact O-CG 3.24Å; D257-R261 PolarHBondContact O-N 3.27Å; D257-R261 IonicContact OD2-CZ 3.97Å; D257-R261 IonicContact OD2-NE 2.76Å; D257-R261 IonicContact OD2-NH2 3.52Å; D257-R261 PolarHBondContact OD2-NH2 3.36Å
258	E	54	Low	49.6	Very low	102 Å²	102	86.9 Å²	86.9	48%	0.477	45%	0.446	S	S	.	.	H	α-helix	trans	-63.2	-39	177.6	-78	-173.4	161	0	0	111.1	Q254 N262	Q254-E258 WeakPolarHBondContact O-CG 3.41Å; Q254-E258 PolarHBondContact O-N 3.13Å; E258-N262 WeakPolarHBondContact O-CB 3.35Å; E258-N262 VanDerWaalsContact O-CG 3.25Å; E258-N262 PolarHBondContact O-N 2.87Å; E258-N262 PolarHBondContact O-ND2 2.88Å
259	R	53.8	Low	48.9	Very low	111 Å²	111	91 Å²	91	42%	0.419	48%	0.475	S	S	.	.	H	α-helix	trans	-65.5	-46.1	177.9	-157.7	174.1	-164.8	-156	1.3	112	Y255 Q256 D257 N262 V263 D596	Y255-R259 WeakPolarHBondContact O-CB 3.47Å; Y255-R259 PolarHBondContact O-N 3.48Å; Y255-R259 VanDerWaalsContact O-N 3.11Å; Q256-R259 PolarHBondContact O-N 3.05Å; D257-R259 VanDerWaalsContact C-N 3.31Å; D257-R259 PolarHBondContact O-N 3.06Å; R259-N262 PolarHBondContact O-N 3.1Å; R259-V263 WeakPolarHBondContact O-CG2 3.38Å; R259-V263 PolarHBondContact O-N 3.2Å; R259-V263 VanDerWaalsContact O-N 3.13Å; R259-D596 IonicContact CZ-OD2 2.76Å; R259-D596 IonicContact NE-OD2 3.71Å; R259-D596 PolarHBondContact NE-OD2 3.14Å; R259-D596 IonicContact NH2-OD1 3.44Å; R259-D596 IonicContact NH2-OD2 3.95Å; R259-D596 PolarHBondContact NH2-OD2 3.09Å
260	L	53.4	Low	48	Very low	102 Å²	102	93.3 Å²	93.3	53%	0.534	48%	0.483	S	S	.	.	H	α-helix	trans	-61.9	-46.4	176.1	-72.3	168	0	0	0	111.7	Q256 D257 N262 V263 S264	Q256-L260 WeakPolarHBondContact O-CG 3.36Å; Q256-L260 PolarHBondContact O-N 3.3Å; D257-L260 PolarHBondContact O-N 3.12Å; L260-N262 VanDerWaalsContact C-N 3.3Å; L260-N262 PolarHBondContact O-N 3.23Å; L260-V263 PolarHBondContact O-N 3.2Å; L260-S264 PolarHBondContact O-N 3.06Å; L260-S264 PolarHBondContact O-OG 3.16Å
261	R	52.6	Low	47.5	Very low	144 Å²	144	88.5 Å²	88.5	54%	0.543	47%	0.47	S	S	.	.	H	α-helix	trans	-61.4	-36.5	177.2	-67.6	165.7	-158.3	-125.1	7.7	112.3	D257 R265	D257-R261 WeakPolarHBondContact O-CB 3.35Å; D257-R261 WeakPolarHBondContact O-CD 3.46Å; D257-R261 WeakPolarHBondContact O-CG 3.24Å; D257-R261 PolarHBondContact O-N 3.27Å; D257-R261 IonicContact OD2-CZ 3.97Å; D257-R261 IonicContact OD2-NE 2.76Å; D257-R261 IonicContact OD2-NH2 3.52Å; D257-R261 PolarHBondContact OD2-NH2 3.36Å; R261-R265 VanDerWaalsContact O-CD 3.27Å; R261-R265 WeakPolarHBondContact O-CD 3.42Å; R261-R265 WeakPolarHBondContact O-CG 3.32Å; R261-R265 PolarHBondContact O-N 3.33Å
262	N	49.3	Very low	46.9	Very low	63 Å²	63	88.9 Å²	88.9	34%	0.337	47%	0.472	S	S	.	.	H	α-helix	trans	-72.3	-28.1	177.7	-76.6	-19.9	0	0	0	113.4	E258 R259 L260 I1198	E258-N262 WeakPolarHBondContact O-CB 3.35Å; E258-N262 VanDerWaalsContact O-CG 3.25Å; E258-N262 PolarHBondContact O-N 2.87Å; E258-N262 PolarHBondContact O-ND2 2.88Å; R259-N262 PolarHBondContact O-N 3.1Å; L260-N262 VanDerWaalsContact C-N 3.3Å; L260-N262 PolarHBondContact O-N 3.23Å; N262-I1198 HydrophobicContact CB-CD1 4.35Å; N262-I1198 WeakPolarHBondContact O-CD1 3.37Å
263	V	53.1	Low	46.1	Very low	71 Å²	71	95.1 Å²	95.1	43%	0.43	50%	0.501	S	S	.	.	H	α-helix	trans	-72	-53	170.5	174	0	0	0	0	110.4	R259 L260 R265 K266	R259-V263 WeakPolarHBondContact O-CG2 3.38Å; R259-V263 PolarHBondContact O-N 3.2Å; R259-V263 VanDerWaalsContact O-N 3.13Å; L260-V263 PolarHBondContact O-N 3.2Å; V263-R265 VanDerWaalsContact C-N 3.3Å; V263-R265 PolarHBondContact O-N 3.45Å; V263-K266 PolarHBondContact O-N 3.13Å; V263-K266 VanDerWaalsContact O-N 3.13Å
264	S	47.3	Very low	45.3	Very low	96 Å²	96	98.6 Å²	98.6	67%	0.671	52%	0.521	S	S	*	.	H	α-helix	trans	-58.7	-37.7	-175.5	-61.7	0	0	0	0	113.6	L260	L260-S264 PolarHBondContact O-N 3.06Å; L260-S264 PolarHBondContact O-OG 3.16Å
265	R	49.9	Very low	44.5	Very low	129 Å²	129	101.6 Å²	101.6	49%	0.487	55%	0.546	S	S	.	.	H	α-helix	trans	-78.8	-20.8	-177.8	-56.5	159.7	86.9	168.2	4.8	112.5	R261 V263 G267 D1197 I1198	R261-R265 VanDerWaalsContact O-CD 3.27Å; R261-R265 WeakPolarHBondContact O-CD 3.42Å; R261-R265 WeakPolarHBondContact O-CG 3.32Å; R261-R265 PolarHBondContact O-N 3.33Å; V263-R265 VanDerWaalsContact C-N 3.3Å; V263-R265 PolarHBondContact O-N 3.45Å; R265-G267 PolarHBondContact O-N 3.06Å; R265-D1197 PolarHBondContact NE-O 3.28Å; R265-D1197 PolarHBondContact NH1-O 3.16Å; R265-D1197 PolarHBondContact NH2-O 2.78Å; R265-I1198 VanDerWaalsContact C-CG2 3.45Å; R265-I1198 HydrophobicContact CB-CB 3.52Å; R265-I1198 HydrophobicContact CB-CD1 3.7Å; R265-I1198 HydrophobicContact CB-CG1 4.19Å; R265-I1198 HydrophobicContact CB-CG2 3.32Å; R265-I1198 HydrophobicContact CG-CB 4.42Å; R265-I1198 PolarHBondContact NE-O 3.27Å; R265-I1198 PolarHBondContact NH2-O 3.37Å; R265-I1198 VanDerWaalsContact NH2-O 3.17Å; R265-I1198 WeakPolarHBondContact O-CG2 3.15Å
266	K	47.4	Very low	43.5	Very low	124 Å²	124	100.5 Å²	100.5	54%	0.539	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.8	12.9	-179.6	-90.4	-174.4	179.2	179.7	0	114	V263 K268 D597 I1198	V263-K266 PolarHBondContact O-N 3.13Å; V263-K266 VanDerWaalsContact O-N 3.13Å; K266-K268 VanDerWaalsContact C-N 3.31Å; K266-K268 PolarHBondContact O-N 3.38Å; K266-K268 VanDerWaalsContact O-N 3.15Å; K266-D597 IonicContact NZ-OD1 3.59Å; K266-D597 PolarHBondContact NZ-OD1 2.97Å; K266-D597 IonicContact NZ-OD2 3.25Å; K266-D597 PolarHBondContact NZ-OD2 2.96Å; K266-I1198 HydrophobicContact CG-CD1 4.08Å
267	G	36.4	Very low	42.5	Very low	63 Å²	63	103.1 Å²	103.1	65%	0.649	57%	0.571	S	S	*	*	S	Bend	trans	71.4	11.3	158.8	0	0	0	0	0	117.2	R265	R265-G267 PolarHBondContact O-N 3.06Å
268	K	34.2	Very low	41.9	Very low	156 Å²	156	106.8 Å²	106.8	68%	0.678	59%	0.589	S	S	*	*			trans	-119.9	97.4	175.2	-72.8	-170.9	174.9	-174.3	0	110.6	K266 S270 A271	K266-K268 VanDerWaalsContact C-N 3.31Å; K266-K268 PolarHBondContact O-N 3.38Å; K266-K268 VanDerWaalsContact O-N 3.15Å; K268-S270 PolarHBondContact O-N 3.2Å; K268-S270 VanDerWaalsContact O-N 3.11Å; K268-A271 PolarHBondContact O-N 3.38Å
269	P	36.4	Very low	41.2	Very low	121 Å²	121	111.4 Å²	111.4	79%	0.786	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-61	-19.7	-180	-24.1	34.6	0	0	0	114.5
270	S	34	Very low	40.9	Very low	101 Å²	101	111.5 Å²	111.5	71%	0.706	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-80.9	-9.5	-174.1	46.7	0	0	0	0	115.7	K268	K268-S270 PolarHBondContact O-N 3.2Å; K268-S270 VanDerWaalsContact O-N 3.11Å
271	A	34.3	Very low	40.8	Very low	55 Å²	55	111.6 Å²	111.6	46%	0.455	61%	0.609	S	S	.	*	G	3₁₀ helix	trans	-84	-13.9	-178.9	0	0	0	0	0	114.2	K268 L273 N274	K268-A271 PolarHBondContact O-N 3.38Å; A271-L273 PolarHBondContact O-N 3.42Å; A271-N274 PolarHBondContact O-N 3.16Å
272	V	37.6	Very low	40.7	Very low	98 Å²	98	116.6 Å²	116.6	59%	0.594	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-62.6	-25.9	-176.1	-177.9	0	0	0	0	112.2	N274	V272-N274 PolarHBondContact O-N 3.46Å
273	L	33.5	Very low	41.3	Very low	161 Å²	161	118.2 Å²	118.2	84%	0.843	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-73.6	-19.6	-179	-134.2	74.1	0	0	0	114.6	A271	A271-L273 PolarHBondContact O-N 3.42Å
274	N	32.1	Very low	41.9	Very low	134 Å²	134	115.5 Å²	115.5	72%	0.717	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-96.8	17.1	-175.2	-84.2	-6.6	0	0	0	114.4	A271 V272 C276	A271-N274 PolarHBondContact O-N 3.16Å; V272-N274 PolarHBondContact O-N 3.46Å; N274-C276 PolarHBondContact O-N 3.35Å
275	C	34.1	Very low	43.3	Very low	106 Å²	106	114.6 Å²	114.6	72%	0.716	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-3.1	-177.1	-149.1	0	0	0	0	114.9
276	C	32.9	Very low	44.7	Very low	68 Å²	68	112.5 Å²	112.5	46%	0.459	60%	0.604	S	S	.	*	T	Hydrogen-bonded Turn	trans	-108.7	4.2	-163.9	-132.7	0	0	0	0	116	N274	N274-C276 PolarHBondContact O-N 3.35Å
277	V	34.1	Very low	46.1	Very low	117 Å²	117	107.1 Å²	107.1	71%	0.709	58%	0.583	S	S	*	*			trans	-123.2	84.8	-170.6	-166.9	0	0	0	0	113.3
278	I	40.3	Very low	48.3	Very low	121 Å²	121	104.1 Å²	104.1	62%	0.621	55%	0.552	S	S	*	*			trans	-126.5	89.5	156.6	-56.1	-178.9	0	0	0	108	F280	I278-F280 PolarHBondContact O-N 3.12Å
279	K	39.2	Very low	50.7	Low	198 Å²	198	100.5 Å²	100.5	86%	0.861	54%	0.54	S	S	*	.			trans	-68.8	113.5	171.4	-109	-179.7	176.9	177.1	0	108.7	E281	K279-E281 PolarHBondContact O-N 3.16Å
280	F	46.9	Very low	53	Low	113 Å²	113	102.3 Å²	102.3	50%	0.496	54%	0.536	S	S	.	.			trans	-80.1	101.3	177.2	-143	-88.1	0	0	0	109.5	I278 R282 W532	I278-F280 PolarHBondContact O-N 3.12Å; F280-R282 PolarHBondContact O-N 3.41Å; F280-W532 HydrophobicContact CD2-CB 4.34Å; F280-W532 HydrophobicContact CE2-CB 3.93Å; F280-W532 HydrophobicContact CZ-CB 4.32Å
281	E	50.9	Low	55.2	Low	104 Å²	104	99 Å²	99	49%	0.486	51%	0.512	S	S	.	.			trans	-68.2	123.2	174.1	-81.7	-156.4	-172.9	0	0	110.6	K279 N283 G284 A287	K279-E281 PolarHBondContact O-N 3.16Å; E281-N283 PolarHBondContact O-N 3.36Å; E281-G284 PolarHBondContact O-N 3.38Å; E281-A287 HydrophobicContact CB-CB 4.17Å
282	R	51.6	Low	57.6	Low	249 Å²	249	103.3 Å²	103.3	94%	0.94	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-14	-179.8	-159.4	172.7	-179	178.2	-0.7	113.7	F280	F280-R282 PolarHBondContact O-N 3.41Å
283	N	61.8	Low	59.8	Low	98 Å²	98	101.2 Å²	101.2	52%	0.524	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	59.2	178.2	-71.4	-25	0	0	0	111.9	E281 F285 I286 A287	E281-N283 PolarHBondContact O-N 3.36Å; N283-F285 PolarHBondContact O-N 3.01Å; N283-I286 HydrophobicContact CB-CB 4.32Å; N283-I286 HydrophobicContact CB-CD1 4.19Å; N283-I286 HydrophobicContact CB-CG1 4.42Å; N283-I286 PolarHBondContact O-N 3.14Å; N283-A287 PolarHBondContact O-N 3.48Å
284	G	65.8	Low	62.2	Low	14 Å²	14	93.6 Å²	93.6	14%	0.144	46%	0.461	C	S	.	.	H	α-helix	trans	-49.4	-30	-174.6	0	0	0	0	0	116.3	E281 L288	E281-G284 PolarHBondContact O-N 3.38Å; G284-L288 WeakPolarHBondContact O-CB 3.46Å; G284-L288 PolarHBondContact O-N 2.91Å
285	F	75.3	Confident	64.9	Low	76 Å²	76	93.4 Å²	93.4	33%	0.333	45%	0.45	S	S	.	.	H	α-helix	trans	-69.1	-39.2	174.9	-173.2	-102.6	0	0	0	113.8	N283 L288 L289 M536 A540	N283-F285 PolarHBondContact O-N 3.01Å; F285-L288 PolarHBondContact O-N 3.24Å; F285-L289 HydrophobicContact CD1-CD1 4.11Å; F285-L289 HydrophobicContact CE1-CD1 3.62Å; F285-L289 HydrophobicContact CE1-CG 4.47Å; F285-L289 HydrophobicContact CZ-CD1 4.09Å; F285-L289 PolarHBondContact O-N 3.14Å; F285-M536 HydrophobicContact CB-SD 4.04Å; F285-A540 HydrophobicContact CE2-CB 4.04Å
286	I	79.5	Confident	67.6	Low	85 Å²	85	88.9 Å²	88.9	44%	0.436	42%	0.418	S	S	.	.	H	α-helix	trans	-70.9	-40.7	177.8	-62.7	177	0	0	0	109.8	N283 L288 L289 K290	N283-I286 HydrophobicContact CB-CB 4.32Å; N283-I286 HydrophobicContact CB-CD1 4.19Å; N283-I286 HydrophobicContact CB-CG1 4.42Å; N283-I286 PolarHBondContact O-N 3.14Å; I286-L288 VanDerWaalsContact C-N 3.34Å; I286-L288 PolarHBondContact O-N 3.29Å; I286-L289 PolarHBondContact O-N 3.18Å; I286-K290 HydrophobicContact CG2-CD 4.31Å; I286-K290 WeakPolarHBondContact O-CG 3.49Å; I286-K290 PolarHBondContact O-N 3.07Å; I286-K290 VanDerWaalsContact O-N 3.07Å
287	A	77.4	Confident	70.3	Confident	11 Å²	11	85.6 Å²	85.6	9%	0.091	40%	0.396	C	S	.	.	H	α-helix	trans	-59.6	-42.6	172.7	0	0	0	0	0	112.2	E281 N283 L289 K290 S291 W532	E281-A287 HydrophobicContact CB-CB 4.17Å; N283-A287 PolarHBondContact O-N 3.48Å; A287-L289 VanDerWaalsContact C-N 3.34Å; A287-L289 PolarHBondContact O-N 3.09Å; A287-K290 PolarHBondContact O-N 3.2Å; A287-S291 PolarHBondContact O-N 3.45Å; A287-S291 PolarHBondContact O-OG 3.44Å; A287-W532 HydrophobicContact CB-CE3 4.49Å; A287-W532 HydrophobicContact CB-CH2 3.77Å; A287-W532 HydrophobicContact CB-CZ3 3.47Å; A287-W532 VanDerWaalsContact CB-CZ3 3.47Å
288	L	82.3	Confident	73.1	Confident	0 Å²	0	80.9 Å²	80.9	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-58.2	-44.5	176.7	-173.4	72.1	0	0	0	111.8	G284 F285 I286 S291 G294 R295 L298 Y529 A533	G284-L288 WeakPolarHBondContact O-CB 3.46Å; G284-L288 PolarHBondContact O-N 2.91Å; F285-L288 PolarHBondContact O-N 3.24Å; I286-L288 VanDerWaalsContact C-N 3.34Å; I286-L288 PolarHBondContact O-N 3.29Å; L288-S291 PolarHBondContact O-OG 3.43Å; L288-G294 CarbonylContact O-C 3.35Å; L288-R295 PolarHBondContact O-N 2.97Å; L288-L298 HydrophobicContact CD2-CB 4.37Å; L288-L298 HydrophobicContact CD2-CD1 4.12Å; L288-L298 HydrophobicContact CD2-CD2 4.3Å; L288-Y529 HydrophobicContact CD1-CD1 4.17Å; L288-Y529 HydrophobicContact CD2-CE1 4.45Å; L288-A533 HydrophobicContact CB-CB 4.42Å; L288-A533 HydrophobicContact CD1-CB 4.02Å
289	L	84.4	Confident	75.5	Confident	81 Å²	81	78.6 Å²	78.6	42%	0.424	36%	0.355	S	S	.	.	H	α-helix	trans	-68.3	-34	177.8	-74.3	170.7	0	0	0	113.8	F285 I286 A287 L298	F285-L289 HydrophobicContact CD1-CD1 4.11Å; F285-L289 HydrophobicContact CE1-CD1 3.62Å; F285-L289 HydrophobicContact CE1-CG 4.47Å; F285-L289 HydrophobicContact CZ-CD1 4.09Å; F285-L289 PolarHBondContact O-N 3.14Å; I286-L289 PolarHBondContact O-N 3.18Å; A287-L289 VanDerWaalsContact C-N 3.34Å; A287-L289 PolarHBondContact O-N 3.09Å; L289-L298 HydrophobicContact CD2-CD2 3.58Å; L289-L298 HydrophobicContact CG-CD2 4.35Å
290	K	84.4	Confident	78	Confident	159 Å²	159	69.4 Å²	69.4	69%	0.691	32%	0.315	S	S	*	.	H	α-helix	trans	-72.4	-41.1	178.3	-74.9	179.2	177.2	-178.1	0	112.7	I286 A287	I286-K290 HydrophobicContact CG2-CD 4.31Å; I286-K290 WeakPolarHBondContact O-CG 3.49Å; I286-K290 PolarHBondContact O-N 3.07Å; I286-K290 VanDerWaalsContact O-N 3.07Å; A287-K290 PolarHBondContact O-N 3.2Å
291	S	80.1	Confident	80.2	Confident	30 Å²	30	64 Å²	64	21%	0.21	29%	0.292	C	S	.	.	S	Bend	trans	-65.4	141.1	179.7	67.6	0	0	0	0	112.2	A287 L288 E293 G294 R295	A287-S291 PolarHBondContact O-N 3.45Å; A287-S291 PolarHBondContact O-OG 3.44Å; L288-S291 PolarHBondContact O-OG 3.43Å; S291-E293 VanDerWaalsContact C-N 3.34Å; S291-G294 WeakPolarHBondContact OG-CA 3.47Å; S291-G294 PolarHBondContact OG-N 3.05Å; S291-R295 WeakPolarHBondContact O-CB 3.46Å; S291-R295 PolarHBondContact O-N 3.3Å
292	R	85	Confident	82.2	Confident	146 Å²	146	60.3 Å²	60.3	55%	0.551	28%	0.277	S	S	*	.	H	α-helix	trans	-69.8	-37.8	179.6	-177.2	-173.2	-171	-161.5	5.2	110.9	K296	R292-K296 WeakPolarHBondContact O-CG 3.39Å; R292-K296 PolarHBondContact O-N 3.39Å
293	E	84.3	Confident	84.2	Confident	54 Å²	54	49.5 Å²	49.5	25%	0.252	24%	0.24	S	C	.	.	H	α-helix	trans	-72	-50	-178.6	-60.4	63.1	-138.8	0	0	109.8	S291 R295 K296 A297 Q603	S291-E293 VanDerWaalsContact C-N 3.34Å; E293-R295 PolarHBondContact O-N 3.34Å; E293-K296 WeakPolarHBondContact O-CB 3.28Å; E293-K296 PolarHBondContact O-N 3.44Å; E293-A297 PolarHBondContact O-N 3.28Å; E293-Q603 HydrophobicContact CG-CG 4.21Å
294	G	84.6	Confident	85.8	Confident	2 Å²	2	44.8 Å²	44.8	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-64.9	-36.7	175.9	0	0	0	0	0	113.1	L288 S291 A297 L298	L288-G294 CarbonylContact O-C 3.35Å; S291-G294 WeakPolarHBondContact OG-CA 3.47Å; S291-G294 PolarHBondContact OG-N 3.05Å; G294-A297 PolarHBondContact O-N 2.79Å; G294-L298 VanDerWaalsContact O-CB 3.31Å; G294-L298 WeakPolarHBondContact O-CB 3.44Å; G294-L298 PolarHBondContact O-N 3.29Å
295	R	89	Confident	87.1	Confident	129 Å²	129	44.1 Å²	44.1	49%	0.487	21%	0.208	S	C	.	.	H	α-helix	trans	-65.7	-40.4	171.7	179.4	169.6	51.2	160.4	-6.3	112.5	L288 S291 E293 L298 I299	L288-R295 PolarHBondContact O-N 2.97Å; S291-R295 WeakPolarHBondContact O-CB 3.46Å; S291-R295 PolarHBondContact O-N 3.3Å; E293-R295 PolarHBondContact O-N 3.34Å; R295-L298 PolarHBondContact O-N 3.29Å; R295-I299 HydrophobicContact CG-CD1 3.84Å; R295-I299 WeakPolarHBondContact O-CB 3.09Å; R295-I299 VanDerWaalsContact O-CG1 3.27Å; R295-I299 WeakPolarHBondContact O-CG1 3.23Å; R295-I299 PolarHBondContact O-N 3.36Å
296	K	89.7	Confident	88	Confident	11 Å²	11	43.8 Å²	43.8	5%	0.048	21%	0.209	C	C	.	.	H	α-helix	trans	-61.2	-47.1	171.5	-80.1	179	-176.7	178.6	0	111.3	R292 E293 L298 I299 L300 L602 G604 W606	R292-K296 WeakPolarHBondContact O-CG 3.39Å; R292-K296 PolarHBondContact O-N 3.39Å; E293-K296 WeakPolarHBondContact O-CB 3.28Å; E293-K296 PolarHBondContact O-N 3.44Å; K296-L298 VanDerWaalsContact C-N 3.34Å; K296-L298 PolarHBondContact O-N 2.89Å; K296-I299 PolarHBondContact O-N 2.96Å; K296-L300 VanDerWaalsContact O-CB 3.26Å; K296-L300 WeakPolarHBondContact O-CB 3.38Å; K296-L300 PolarHBondContact O-N 3.38Å; K296-L602 WeakPolarHBondContact CD-O 3.28Å; K296-L602 PolarHBondContact NZ-O 2.84Å; K296-G604 PolarHBondContact NZ-O 2.93Å; K296-W606 HydrophobicContact CG-CH2 3.98Å; K296-W606 HydrophobicContact CG-CZ2 3.79Å
297	A	90	Very high	88.7	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.5	-44	176.3	0	0	0	0	0	111.7	E293 G294 L300 G301 I528 Y529 L602	E293-A297 PolarHBondContact O-N 3.28Å; G294-A297 PolarHBondContact O-N 2.79Å; A297-L300 PolarHBondContact O-N 3.39Å; A297-G301 PolarHBondContact O-N 2.78Å; A297-I528 HydrophobicContact CB-CB 4.32Å; A297-I528 HydrophobicContact CB-CD1 4.37Å; A297-I528 HydrophobicContact CB-CG1 4.18Å; A297-I528 WeakPolarHBondContact O-CD1 3.21Å; A297-Y529 HydrophobicContact CB-CD1 3.88Å; A297-Y529 HydrophobicContact CB-CE1 3.88Å; A297-Y529 PolarHBondContact O-OH 3.31Å; A297-L602 HydrophobicContact CB-CD1 3.89Å
298	L	91.7	Very high	89.4	Confident	18 Å²	18	40.4 Å²	40.4	9%	0.094	19%	0.19	C	C	.	.	H	α-helix	trans	-65.2	-46.6	179	-173.2	64.2	0	0	0	112	L288 L289 G294 R295 K296 L300 G301 C302 Y529 A540	L288-L298 HydrophobicContact CD2-CB 4.37Å; L288-L298 HydrophobicContact CD2-CD1 4.12Å; L288-L298 HydrophobicContact CD2-CD2 4.3Å; L289-L298 HydrophobicContact CD2-CD2 3.58Å; L289-L298 HydrophobicContact CG-CD2 4.35Å; G294-L298 VanDerWaalsContact O-CB 3.31Å; G294-L298 WeakPolarHBondContact O-CB 3.44Å; G294-L298 PolarHBondContact O-N 3.29Å; R295-L298 PolarHBondContact O-N 3.29Å; K296-L298 VanDerWaalsContact C-N 3.34Å; K296-L298 PolarHBondContact O-N 2.89Å; L298-L300 VanDerWaalsContact C-N 3.35Å; L298-L300 PolarHBondContact O-N 3.24Å; L298-G301 PolarHBondContact O-N 3.27Å; L298-C302 VanDerWaalsContact O-CB 3.29Å; L298-C302 WeakPolarHBondContact O-CB 3.47Å; L298-C302 PolarHBondContact O-N 3.1Å; L298-C302 PolarHBondContact O-SG 3.26Å; L298-Y529 HydrophobicContact CB-CE1 4.44Å; L298-Y529 HydrophobicContact CD1-CE1 4.47Å; L298-A540 HydrophobicContact CD1-CB 3.84Å
299	I	92	Very high	89.9	Confident	72 Å²	72	41 Å²	41	37%	0.369	19%	0.193	S	C	.	.	H	α-helix	trans	-61.4	-43.8	176.4	-69.2	166.4	0	0	0	110.9	R295 K296 S303 W606	R295-I299 HydrophobicContact CG-CD1 3.84Å; R295-I299 WeakPolarHBondContact O-CB 3.09Å; R295-I299 VanDerWaalsContact O-CG1 3.27Å; R295-I299 WeakPolarHBondContact O-CG1 3.23Å; R295-I299 PolarHBondContact O-N 3.36Å; K296-I299 PolarHBondContact O-N 2.96Å; I299-S303 WeakPolarHBondContact O-CB 3.27Å; I299-S303 PolarHBondContact O-N 2.75Å; I299-S303 PolarHBondContact O-OG 3.23Å; I299-W606 HydrophobicContact CB-CH2 4.45Å; I299-W606 HydrophobicContact CD1-CH2 4.1Å; I299-W606 HydrophobicContact CG2-CH2 4.2Å; I299-W606 HydrophobicContact CG2-CZ3 4.38Å
300	L	91.7	Very high	90.2	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.026	19%	0.185	C	C	.	.	H	α-helix	trans	-65.1	-43.2	178.1	-176.3	67.2	0	0	0	112.1	K296 A297 L298 S303 L304 I528 V586 L587 P588	K296-L300 VanDerWaalsContact O-CB 3.26Å; K296-L300 WeakPolarHBondContact O-CB 3.38Å; K296-L300 PolarHBondContact O-N 3.38Å; A297-L300 PolarHBondContact O-N 3.39Å; L298-L300 VanDerWaalsContact C-N 3.35Å; L298-L300 PolarHBondContact O-N 3.24Å; L300-S303 PolarHBondContact O-OG 2.9Å; L300-S303 VanDerWaalsContact O-OG 3.09Å; L300-L304 WeakPolarHBondContact O-CB 3.35Å; L300-L304 PolarHBondContact O-N 3.17Å; L300-I528 HydrophobicContact CB-CD1 4.43Å; L300-I528 HydrophobicContact CD2-CD1 4.46Å; L300-I528 HydrophobicContact CD2-CG2 4.33Å; L300-V586 HydrophobicContact CD1-CG1 4.19Å; L300-L587 HydrophobicContact CD1-CB 4.45Å; L300-L587 HydrophobicContact CD1-CD1 3.85Å; L300-L587 HydrophobicContact CD2-CD1 4.12Å; L300-L587 HydrophobicContact CG-CD1 4.28Å; L300-P588 HydrophobicContact CD2-CG 4.34Å
301	G	92	Very high	90.5	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-66.9	-47.8	179.5	0	0	0	0	0	113.1	A297 L298 Q305 N525 S541	A297-G301 PolarHBondContact O-N 2.78Å; L298-G301 PolarHBondContact O-N 3.27Å; G301-Q305 VanDerWaalsContact O-CG 3.28Å; G301-Q305 WeakPolarHBondContact O-CG 3.38Å; G301-Q305 PolarHBondContact O-N 3.37Å; G301-Q305 VanDerWaalsContact O-N 3.16Å; G301-N525 WeakPolarHBondContact CA-OD1 3.46Å; G301-N525 PolarHBondContact O-ND2 3.39Å; G301-S541 VanDerWaalsContact C-OG 3.25Å
302	C	94.4	Very high	90.9	Very high	26 Å²	26	30.7 Å²	30.7	18%	0.176	14%	0.143	C	C	.	.	H	α-helix	trans	-66.3	-43.9	177.1	-68.9	0	0	0	0	112	L298 Q305 L306 S541 V544	L298-C302 VanDerWaalsContact O-CB 3.29Å; L298-C302 WeakPolarHBondContact O-CB 3.47Å; L298-C302 PolarHBondContact O-N 3.1Å; L298-C302 PolarHBondContact O-SG 3.26Å; C302-Q305 PolarHBondContact O-N 3.47Å; C302-L306 WeakPolarHBondContact O-CB 3.21Å; C302-L306 PolarHBondContact O-N 3.29Å; C302-S541 PolarHBondContact N-OG 2.93Å; C302-V544 HydrophobicContact CB-CB 4.44Å; C302-V544 HydrophobicContact CB-CG1 4.33Å; C302-V544 HydrophobicContact CB-CG2 4.11Å; C302-V544 WeakPolarHBondContact O-CG1 3.26Å
303	S	93.9	Very high	91.2	Very high	22 Å²	22	24 Å²	24	15%	0.154	12%	0.118	C	C	.	.	H	α-helix	trans	-63.6	-42.4	177.8	58.5	0	0	0	0	111.8	I299 L300 Q305 L306 I307 Y582	I299-S303 WeakPolarHBondContact O-CB 3.27Å; I299-S303 PolarHBondContact O-N 2.75Å; I299-S303 PolarHBondContact O-OG 3.23Å; L300-S303 PolarHBondContact O-OG 2.9Å; L300-S303 VanDerWaalsContact O-OG 3.09Å; S303-Q305 VanDerWaalsContact C-N 3.31Å; S303-Q305 PolarHBondContact O-N 2.99Å; S303-L306 PolarHBondContact O-N 3.04Å; S303-I307 WeakPolarHBondContact O-CB 3.37Å; S303-I307 WeakPolarHBondContact O-CD1 3.05Å; S303-I307 WeakPolarHBondContact O-CG1 3.2Å; S303-I307 PolarHBondContact O-N 3.5Å; S303-Y582 PolarHBondContact OG-OH 3.2Å
304	L	93.5	Very high	91.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.2	-36.7	177.4	-176.3	59.1	0	0	0	112.6	L300 Q308 V366 P521 V524 L583	L300-L304 WeakPolarHBondContact O-CB 3.35Å; L300-L304 PolarHBondContact O-N 3.17Å; L304-Q308 PolarHBondContact O-N 3.16Å; L304-V366 HydrophobicContact CD1-CG2 4.09Å; L304-P521 HydrophobicContact CD1-CG 4.18Å; L304-P521 HydrophobicContact CD2-CB 4.38Å; L304-P521 HydrophobicContact CG-CB 3.93Å; L304-P521 HydrophobicContact CG-CG 3.94Å; L304-V524 HydrophobicContact CD2-CB 3.69Å; L304-V524 HydrophobicContact CD2-CG1 3.72Å; L304-V524 HydrophobicContact CD2-CG2 4.12Å; L304-L583 HydrophobicContact CD1-CD1 4.26Å; L304-L583 HydrophobicContact CD1-CD2 4.11Å
305	Q	94.1	Very high	91.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-74.1	-38.1	174.5	-67.1	-73.7	29.5	0	0	113	G301 C302 S303 Q308 Q309 P521 N525 S541 N545	G301-Q305 VanDerWaalsContact O-CG 3.28Å; G301-Q305 WeakPolarHBondContact O-CG 3.38Å; G301-Q305 PolarHBondContact O-N 3.37Å; G301-Q305 VanDerWaalsContact O-N 3.16Å; C302-Q305 PolarHBondContact O-N 3.47Å; S303-Q305 VanDerWaalsContact C-N 3.31Å; S303-Q305 PolarHBondContact O-N 2.99Å; Q305-Q308 WeakPolarHBondContact O-CB 3.23Å; Q305-Q308 PolarHBondContact O-N 3.26Å; Q305-Q309 PolarHBondContact O-N 3.25Å; Q305-P521 HydrophobicContact CG-CB 4.44Å; Q305-N525 VanDerWaalsContact CG-ND2 3.29Å; Q305-N525 WeakPolarHBondContact CG-ND2 3.47Å; Q305-N525 PolarHBondContact NE2-ND2 3.1Å; Q305-S541 WeakPolarHBondContact CG-O 3.43Å; Q305-N545 HydrophobicContact CB-CB 4Å; Q305-N545 HydrophobicContact CG-CB 4.35Å; Q305-N545 PolarHBondContact OE1-ND2 3Å
306	L	93.8	Very high	91.2	Very high	69 Å²	69	15.5 Å²	15.5	36%	0.361	9%	0.085	S	C	.	.	H	α-helix	trans	-66.2	-42.1	175.9	-176.5	61	0	0	0	111.3	C302 S303 Q308 Q309 L310 V544	C302-L306 WeakPolarHBondContact O-CB 3.21Å; C302-L306 PolarHBondContact O-N 3.29Å; S303-L306 PolarHBondContact O-N 3.04Å; L306-Q308 VanDerWaalsContact C-N 3.26Å; L306-Q308 PolarHBondContact O-N 3.04Å; L306-Q309 PolarHBondContact O-N 3.04Å; L306-Q309 VanDerWaalsContact O-N 3.12Å; L306-L310 HydrophobicContact CD1-CD1 4.09Å; L306-L310 HydrophobicContact CD1-CD2 4.49Å; L306-L310 HydrophobicContact CD1-CG 3.97Å; L306-L310 HydrophobicContact CD2-CD1 4.2Å; L306-L310 HydrophobicContact CG-CD1 3.73Å; L306-L310 HydrophobicContact CG-CG 4.04Å; L306-L310 WeakPolarHBondContact O-CB 3.19Å; L306-L310 WeakPolarHBondContact O-CG 3.29Å; L306-L310 PolarHBondContact O-N 3.02Å; L306-V544 HydrophobicContact CB-CG1 3.92Å
307	I	93.7	Very high	90.9	Very high	12 Å²	12	16 Å²	16	6%	0.062	9%	0.088	C	C	.	.	H	α-helix	trans	-60.1	-36.5	174.9	-70.9	166.2	0	0	0	111.3	S303 Q309 S311 T370 L517 Y582 L583	S303-I307 WeakPolarHBondContact O-CB 3.37Å; S303-I307 WeakPolarHBondContact O-CD1 3.05Å; S303-I307 WeakPolarHBondContact O-CG1 3.2Å; S303-I307 PolarHBondContact O-N 3.5Å; I307-Q309 VanDerWaalsContact C-N 3.31Å; I307-Q309 PolarHBondContact O-N 2.75Å; I307-S311 PolarHBondContact O-N 2.73Å; I307-T370 HydrophobicContact CG2-CG2 4.42Å; I307-L517 HydrophobicContact CG2-CD2 4.12Å; I307-Y582 HydrophobicContact CD1-CD1 3.82Å; I307-Y582 HydrophobicContact CD1-CE1 4.19Å; I307-L583 HydrophobicContact CD1-CD1 4.04Å; I307-L583 HydrophobicContact CD1-CD2 4.06Å; I307-L583 HydrophobicContact CD1-CG 3.93Å; I307-L583 HydrophobicContact CG2-CD1 4.19Å
308	Q	93.9	Very high	90.5	Very high	13 Å²	13	16.9 Å²	16.9	6%	0.061	9%	0.091	C	C	.	.	H	α-helix	trans	-56.5	-47.5	174.2	-170	-170.7	74	0	0	110.7	L304 Q305 L306 S311 V313 F513 L517 S518 P521 N545	L304-Q308 PolarHBondContact O-N 3.16Å; Q305-Q308 WeakPolarHBondContact O-CB 3.23Å; Q305-Q308 PolarHBondContact O-N 3.26Å; L306-Q308 VanDerWaalsContact C-N 3.26Å; L306-Q308 PolarHBondContact O-N 3.04Å; Q308-S311 WeakPolarHBondContact O-CB 3.42Å; Q308-S311 PolarHBondContact O-OG 3.21Å; Q308-V313 VanDerWaalsContact O-CG1 3.27Å; Q308-V313 WeakPolarHBondContact O-CG1 3.33Å; Q308-F513 HydrophobicContact CG-CE2 3.85Å; Q308-F513 HydrophobicContact CG-CZ 3.49Å; Q308-F513 VanDerWaalsContact CG-CZ 3.49Å; Q308-L517 PolarHBondContact NE2-O 3.42Å; Q308-S518 PolarHBondContact NE2-O 3.15Å; Q308-P521 HydrophobicContact CB-CG 4.31Å; Q308-N545 PolarHBondContact OE1-ND2 3.21Å
309	Q	92.9	Very high	89.9	Confident	13 Å²	13	17 Å²	17	6%	0.061	9%	0.091	C	C	.	.	H	α-helix	trans	-81.3	-38.9	-175.3	-61	-64.7	-11.7	0	0	113.7	Q305 L306 I307 S311 G312 N545 C549	Q305-Q309 PolarHBondContact O-N 3.25Å; L306-Q309 PolarHBondContact O-N 3.04Å; L306-Q309 VanDerWaalsContact O-N 3.12Å; I307-Q309 VanDerWaalsContact C-N 3.31Å; I307-Q309 PolarHBondContact O-N 2.75Å; Q309-S311 PolarHBondContact O-N 3.37Å; Q309-G312 PolarHBondContact O-N 3.09Å; Q309-N545 WeakPolarHBondContact CG-O 3.48Å; Q309-N545 PolarHBondContact NE2-OD1 3.08Å; Q309-C549 HydrophobicContact CG-CB 4.37Å
310	L	89.4	Confident	89.4	Confident	50 Å²	50	14.4 Å²	14.4	26%	0.262	8%	0.079	S	C	.	.	H	α-helix	trans	-64.1	-6.1	175.4	-69.9	-177.5	0	0	0	113.9	L306 G312 T552	L306-L310 HydrophobicContact CD1-CD1 4.09Å; L306-L310 HydrophobicContact CD1-CD2 4.49Å; L306-L310 HydrophobicContact CD1-CG 3.97Å; L306-L310 HydrophobicContact CD2-CD1 4.2Å; L306-L310 HydrophobicContact CG-CD1 3.73Å; L306-L310 HydrophobicContact CG-CG 4.04Å; L306-L310 WeakPolarHBondContact O-CB 3.19Å; L306-L310 WeakPolarHBondContact O-CG 3.29Å; L306-L310 PolarHBondContact O-N 3.02Å; L310-G312 PolarHBondContact O-N 2.76Å; L310-T552 HydrophobicContact CD2-CG2 4.5Å
311	S	91.1	Very high	88.6	Confident	1 Å²	1	14.4 Å²	14.4	1%	0.007	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-13.4	167.5	73.3	0	0	0	0	114.6	I307 Q308 Q309 V313 F509 F513 T576	I307-S311 PolarHBondContact O-N 2.73Å; Q308-S311 WeakPolarHBondContact O-CB 3.42Å; Q308-S311 PolarHBondContact O-OG 3.21Å; Q309-S311 PolarHBondContact O-N 3.37Å; S311-V313 VanDerWaalsContact C-N 3.31Å; S311-V313 WeakPolarHBondContact OG-CB 3.21Å; S311-V313 WeakPolarHBondContact OG-CG1 3.44Å; S311-V313 PolarHBondContact OG-N 3.48Å; S311-F509 WeakPolarHBondContact O-CZ 3.49Å; S311-F513 WeakPolarHBondContact OG-CE2 3.25Å; S311-T576 VanDerWaalsContact CA-CG2 3.45Å
312	G	88.3	Confident	87.8	Confident	1 Å²	1	16.7 Å²	16.7	1%	0.01	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.7	4.9	-173.7	0	0	0	0	0	113.9	Q309 L310 A314 C315 V316	Q309-G312 PolarHBondContact O-N 3.09Å; L310-G312 PolarHBondContact O-N 2.76Å; G312-A314 VanDerWaalsContact C-N 3.33Å; G312-A314 PolarHBondContact O-N 3.35Å; G312-C315 WeakPolarHBondContact O-CB 3.45Å; G312-C315 PolarHBondContact O-N 3.05Å; G312-V316 PolarHBondContact O-N 3.44Å; G312-V316 VanDerWaalsContact O-N 3.12Å
313	V	91	Very high	87.2	Confident	6 Å²	6	15.7 Å²	15.7	4%	0.036	9%	0.089	C	C	.	.	H	α-helix	trans	-52.7	-44.5	-178.2	61.8	0	0	0	0	113.9	Q308 S311 C315 V316 L317 F509 L510 F513	Q308-V313 VanDerWaalsContact O-CG1 3.27Å; Q308-V313 WeakPolarHBondContact O-CG1 3.33Å; S311-V313 VanDerWaalsContact C-N 3.31Å; S311-V313 WeakPolarHBondContact OG-CB 3.21Å; S311-V313 WeakPolarHBondContact OG-CG1 3.44Å; S311-V313 PolarHBondContact OG-N 3.48Å; V313-C315 VanDerWaalsContact C-N 3.31Å; V313-C315 PolarHBondContact O-N 3.04Å; V313-V316 PolarHBondContact O-N 3.14Å; V313-L317 HydrophobicContact CG2-CD1 3.73Å; V313-L317 HydrophobicContact CG2-CG 4.38Å; V313-L317 WeakPolarHBondContact O-CB 3.45Å; V313-L317 PolarHBondContact O-N 3.12Å; V313-F509 HydrophobicContact CB-CE1 4.43Å; V313-F509 HydrophobicContact CB-CZ 4.24Å; V313-L510 HydrophobicContact CG2-CD2 3.66Å; V313-F513 HydrophobicContact CB-CD2 4.23Å; V313-F513 HydrophobicContact CB-CE1 4.29Å; V313-F513 HydrophobicContact CB-CE2 3.84Å; V313-F513 HydrophobicContact CB-CZ 3.88Å; V313-F513 HydrophobicContact CG1-CE1 4.47Å; V313-F513 HydrophobicContact CG1-CE2 3.8Å; V313-F513 HydrophobicContact CG1-CZ 3.7Å; V313-F513 HydrophobicContact CG2-CD1 3.96Å; V313-F513 HydrophobicContact CG2-CD2 4.43Å; V313-F513 HydrophobicContact CG2-CE1 3.65Å; V313-F513 HydrophobicContact CG2-CE2 4.12Å; V313-F513 HydrophobicContact CG2-CG 4.36Å; V313-F513 HydrophobicContact CG2-CZ 3.73Å
314	A	86.3	Confident	86.6	Confident	3 Å²	3	14.7 Å²	14.7	3%	0.025	8%	0.082	C	C	.	.	H	α-helix	trans	-63.3	-38.1	179.3	0	0	0	0	0	111.8	G312 F318 T553	G312-A314 VanDerWaalsContact C-N 3.33Å; G312-A314 PolarHBondContact O-N 3.35Å; A314-F318 VanDerWaalsContact O-CB 3.27Å; A314-F318 WeakPolarHBondContact O-CB 3.4Å; A314-F318 VanDerWaalsContact O-CG 3.27Å; A314-F318 WeakPolarHBondContact O-CG 3.47Å; A314-F318 PolarHBondContact O-N 3.08Å; A314-T553 HydrophobicContact CB-CG2 3.74Å
315	C	85.1	Confident	85.9	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-64.7	-45.1	177.1	-49.6	0	0	0	0	111	G312 V313 Y319 T552 F556	G312-C315 WeakPolarHBondContact O-CB 3.45Å; G312-C315 PolarHBondContact O-N 3.05Å; V313-C315 VanDerWaalsContact C-N 3.31Å; V313-C315 PolarHBondContact O-N 3.04Å; C315-Y319 WeakPolarHBondContact O-CB 3.32Å; C315-Y319 WeakPolarHBondContact O-CD2 3.26Å; C315-Y319 PolarHBondContact O-N 3.41Å; C315-Y319 VanDerWaalsContact O-N 3.09Å; C315-T552 PolarHBondContact SG-O 3Å; C315-T552 VanDerWaalsContact SG-O 3.38Å; C315-F556 HydrophobicContact CB-CB 4.23Å; C315-F556 HydrophobicContact CB-CD1 4.48Å; C315-F556 HydrophobicContact CB-CD2 3.67Å; C315-F556 HydrophobicContact CB-CE2 4.12Å; C315-F556 HydrophobicContact CB-CG 3.87Å
316	V	86.4	Confident	85.2	Confident	4 Å²	4	19 Å²	19	2%	0.024	10%	0.102	C	C	.	.	H	α-helix	trans	-67.3	-39.2	-179.8	179.4	0	0	0	0	112	G312 V313 S320 M380 F509 L510 Y569	G312-V316 PolarHBondContact O-N 3.44Å; G312-V316 VanDerWaalsContact O-N 3.12Å; V313-V316 PolarHBondContact O-N 3.14Å; V316-S320 WeakPolarHBondContact O-CA 3.4Å; V316-S320 WeakPolarHBondContact O-CB 3.33Å; V316-S320 PolarHBondContact O-N 3.04Å; V316-M380 HydrophobicContact CG2-CE 4.22Å; V316-M380 HydrophobicContact CG2-SD 3.96Å; V316-F509 HydrophobicContact CB-CD1 4.37Å; V316-F509 HydrophobicContact CB-CE1 4.12Å; V316-F509 HydrophobicContact CG1-CD1 4.25Å; V316-F509 HydrophobicContact CG1-CE1 4.47Å; V316-F509 HydrophobicContact CG2-CD1 4.07Å; V316-F509 HydrophobicContact CG2-CE1 3.81Å; V316-L510 HydrophobicContact CG1-CD1 4.15Å; V316-L510 HydrophobicContact CG1-CD2 4.43Å; V316-L510 HydrophobicContact CG1-CG 4.2Å; V316-Y569 HydrophobicContact CG2-CE1 4.44Å
317	L	84.4	Confident	84.6	Confident	21 Å²	21	15.7 Å²	15.7	11%	0.11	8%	0.084	C	C	.	.	H	α-helix	trans	-73.4	-45.9	178	-76.9	168.5	0	0	0	113	V313 S320 A343 L510	V313-L317 HydrophobicContact CG2-CD1 3.73Å; V313-L317 HydrophobicContact CG2-CG 4.38Å; V313-L317 WeakPolarHBondContact O-CB 3.45Å; V313-L317 PolarHBondContact O-N 3.12Å; L317-S320 PolarHBondContact O-OG 3.02Å; L317-A343 HydrophobicContact CD2-CB 4.34Å; L317-L510 HydrophobicContact CD2-CD1 3.54Å; L317-L510 HydrophobicContact CG-CD1 3.95Å; L317-L510 HydrophobicContact CG-CD2 4.26Å
318	F	81.2	Confident	83.7	Confident	19 Å²	19	15.8 Å²	15.8	8%	0.083	9%	0.088	C	C	.	.	H	α-helix	trans	-80.7	-32.2	-171	-64.3	7.1	0	0	0	111.8	I32 S36 V75 V79 A314 T553	I32-F318 HydrophobicContact CG2-CD1 4.15Å; I32-F318 HydrophobicContact CG2-CE1 3.24Å; I32-F318 HydrophobicContact CG2-CZ 3.48Å; I32-F318 VanDerWaalsContact CG2-CZ 3.48Å; S36-F318 PolarHBondContact OG-O 3.38Å; V75-F318 HydrophobicContact CG1-CD2 4.12Å; V79-F318 HydrophobicContact CG2-CE2 4.14Å; A314-F318 VanDerWaalsContact O-CB 3.27Å; A314-F318 WeakPolarHBondContact O-CB 3.4Å; A314-F318 VanDerWaalsContact O-CG 3.27Å; A314-F318 WeakPolarHBondContact O-CG 3.47Å; A314-F318 PolarHBondContact O-N 3.08Å; F318-T553 HydrophobicContact CD2-CG2 3.39Å; F318-T553 HydrophobicContact CE2-CG2 3.66Å; F318-T553 HydrophobicContact CG-CG2 4.3Å
319	Y	78.6	Confident	82.9	Confident	21 Å²	21	15.8 Å²	15.8	8%	0.082	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	17.1	176.6	-60.2	-69.3	0	0	0	113	C315 G321 S322 I323 T553 F556	C315-Y319 WeakPolarHBondContact O-CB 3.32Å; C315-Y319 WeakPolarHBondContact O-CD2 3.26Å; C315-Y319 PolarHBondContact O-N 3.41Å; C315-Y319 VanDerWaalsContact O-N 3.09Å; Y319-G321 PolarHBondContact O-N 3.43Å; Y319-S322 CarbonylContact O-C 3.59Å; Y319-S322 WeakPolarHBondContact O-CA 3.26Å; Y319-S322 WeakPolarHBondContact O-CB 3.29Å; Y319-S322 PolarHBondContact O-N 3.06Å; Y319-I323 WeakPolarHBondContact O-CB 3.36Å; Y319-I323 VanDerWaalsContact O-CG1 3.3Å; Y319-I323 WeakPolarHBondContact O-CG1 3.46Å; Y319-I323 PolarHBondContact O-N 2.66Å; Y319-T553 PolarHBondContact OH-O 3.02Å; Y319-F556 AromaticContact CD2-CD1 3.41Å; Y319-F556 HydrophobicContact CD2-CD1 3.41Å; Y319-F556 VanDerWaalsContact CD2-CD1 3.41Å; Y319-F556 AromaticContact CD2-CE1 3.84Å; Y319-F556 HydrophobicContact CD2-CE1 3.84Å; Y319-F556 HydrophobicContact CD2-CG 4.2Å; Y319-F556 HydrophobicContact CE2-CB 4.19Å; Y319-F556 AromaticContact CE2-CD1 3.68Å; Y319-F556 HydrophobicContact CE2-CD1 3.68Å; Y319-F556 HydrophobicContact CE2-CG 4.28Å; Y319-F556 HydrophobicContact CG-CD1 4.06Å; Y319-F556 HydrophobicContact CG-CE1 4.11Å
320	S	81.3	Confident	82	Confident	16 Å²	16	20.2 Å²	20.2	11%	0.112	11%	0.108	C	C	.	.	H	α-helix	trans	-54.4	-47.5	-173.3	67.3	0	0	0	0	113.8	V316 L317 S322 I323 A324 G339	V316-S320 WeakPolarHBondContact O-CA 3.4Å; V316-S320 WeakPolarHBondContact O-CB 3.33Å; V316-S320 PolarHBondContact O-N 3.04Å; L317-S320 PolarHBondContact O-OG 3.02Å; S320-S322 PolarHBondContact O-N 3.12Å; S320-I323 PolarHBondContact O-N 2.64Å; S320-A324 PolarHBondContact O-N 3.27Å; S320-G339 WeakPolarHBondContact CB-O 3.34Å; S320-G339 VanDerWaalsContact OG-CA 3.27Å; S320-G339 WeakPolarHBondContact OG-CA 3.18Å; S320-G339 PolarHBondContact OG-O 2.87Å
321	G	74.3	Confident	81.5	Confident	5 Å²	5	21.3 Å²	21.3	5%	0.052	11%	0.114	C	C	.	.	H	α-helix	trans	-65.4	-35.4	174.5	0	0	0	0	0	113.4	Y319 K325	Y319-G321 PolarHBondContact O-N 3.43Å; G321-K325 PolarHBondContact O-N 3.19Å
322	S	75.9	Confident	80.8	Confident	49 Å²	49	22.9 Å²	22.9	34%	0.343	12%	0.123	S	C	.	.	H	α-helix	trans	-70.1	-34.4	173.7	-55.4	0	0	0	0	112.3	Y319 S320 K325 M326	Y319-S322 CarbonylContact O-C 3.59Å; Y319-S322 WeakPolarHBondContact O-CA 3.26Å; Y319-S322 WeakPolarHBondContact O-CB 3.29Å; Y319-S322 PolarHBondContact O-N 3.06Å; S320-S322 PolarHBondContact O-N 3.12Å; S322-K325 PolarHBondContact O-N 3.47Å; S322-M326 WeakPolarHBondContact O-CB 3.41Å; S322-M326 VanDerWaalsContact O-CG 3.29Å; S322-M326 WeakPolarHBondContact O-CG 3.5Å; S322-M326 PolarHBondContact O-N 3.35Å
323	I	81.6	Confident	80.5	Confident	4 Å²	4	24.6 Å²	24.6	2%	0.021	13%	0.133	C	C	.	.	H	α-helix	trans	-68.1	-41.1	176.2	-71.3	161.7	0	0	0	110	Y319 S320 K325 M326 S327 M380 F384	Y319-I323 WeakPolarHBondContact O-CB 3.36Å; Y319-I323 VanDerWaalsContact O-CG1 3.3Å; Y319-I323 WeakPolarHBondContact O-CG1 3.46Å; Y319-I323 PolarHBondContact O-N 2.66Å; S320-I323 PolarHBondContact O-N 2.64Å; I323-K325 VanDerWaalsContact C-N 3.33Å; I323-M326 HydrophobicContact CB-CE 4.41Å; I323-M326 HydrophobicContact CG1-CE 3.8Å; I323-M326 PolarHBondContact O-N 2.78Å; I323-S327 WeakPolarHBondContact O-CB 3.33Å; I323-S327 PolarHBondContact O-N 3.37Å; I323-M380 HydrophobicContact CD1-CE 4.11Å; I323-M380 HydrophobicContact CG2-CE 3.79Å; I323-F384 HydrophobicContact CG2-CZ 4.4Å
324	A	82.5	Confident	80.1	Confident	2 Å²	2	28.1 Å²	28.1	2%	0.017	15%	0.151	C	C	.	.	H	α-helix	trans	-61.2	-40.7	171.2	0	0	0	0	0	112	S320 S327 G328 V329 A335 F338 I503	S320-A324 PolarHBondContact O-N 3.27Å; A324-S327 PolarHBondContact O-OG 3.4Å; A324-G328 PolarHBondContact O-N 3.06Å; A324-V329 HydrophobicContact CB-CG2 4.44Å; A324-V329 VanDerWaalsContact O-CB 3.29Å; A324-V329 WeakPolarHBondContact O-CB 3.41Å; A324-V329 VanDerWaalsContact O-CG2 3.28Å; A324-V329 WeakPolarHBondContact O-CG2 3.34Å; A324-V329 PolarHBondContact O-N 3.21Å; A324-V329 VanDerWaalsContact O-N 3.13Å; A324-A335 HydrophobicContact CB-CB 4.2Å; A324-F338 HydrophobicContact CB-CB 3.86Å; A324-I503 HydrophobicContact CB-CD1 4.32Å
325	K	78.3	Confident	79.7	Confident	62 Å²	62	28 Å²	28	27%	0.27	15%	0.149	S	C	.	.	H	α-helix	trans	-67.5	-48.6	175.5	-165.8	156.3	-165.2	161.6	0	112.3	G321 S322 I323 S327 G328 N332 Y493	G321-K325 PolarHBondContact O-N 3.19Å; S322-K325 PolarHBondContact O-N 3.47Å; I323-K325 VanDerWaalsContact C-N 3.33Å; K325-S327 PolarHBondContact O-N 3.44Å; K325-G328 PolarHBondContact O-N 3.2Å; K325-N332 PolarHBondContact NZ-OD1 3.3Å; K325-Y493 VanDerWaalsContact O-CB 3.26Å; K325-Y493 WeakPolarHBondContact O-CB 3.34Å
326	M	80	Confident	79.6	Confident	28 Å²	28	28.3 Å²	28.3	14%	0.138	15%	0.151	C	C	.	.	H	α-helix	trans	-60.1	-28.6	177.4	-76.4	-173.9	-64.5	0	0	113.4	S322 I323 F556	S322-M326 WeakPolarHBondContact O-CB 3.41Å; S322-M326 VanDerWaalsContact O-CG 3.29Å; S322-M326 WeakPolarHBondContact O-CG 3.5Å; S322-M326 PolarHBondContact O-N 3.35Å; I323-M326 HydrophobicContact CB-CE 4.41Å; I323-M326 HydrophobicContact CG1-CE 3.8Å; I323-M326 PolarHBondContact O-N 2.78Å; M326-F556 HydrophobicContact CE-CE1 4.48Å
327	S	79.9	Confident	79.6	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-76.5	-25.2	176.8	79.6	0	0	0	0	113	I323 A324 K325 F499	I323-S327 WeakPolarHBondContact O-CB 3.33Å; I323-S327 PolarHBondContact O-N 3.37Å; A324-S327 PolarHBondContact O-OG 3.4Å; K325-S327 PolarHBondContact O-N 3.44Å; S327-F499 WeakPolarHBondContact CB-O 3.22Å; S327-F499 VanDerWaalsContact O-CA 3.32Å; S327-F499 WeakPolarHBondContact O-CA 3.45Å; S327-F499 WeakPolarHBondContact O-CB 3.25Å; S327-F499 PolarHBondContact OG-O 2.89Å
328	G	75.3	Confident	79.6	Confident	14 Å²	14	35 Å²	35	14%	0.144	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	142.7	5	174.4	0	0	0	0	0	116.5	A324 K325 K330	A324-G328 PolarHBondContact O-N 3.06Å; K325-G328 PolarHBondContact O-N 3.2Å; G328-K330 PolarHBondContact O-N 2.67Å
329	V	77.4	Confident	79.7	Confident	13 Å²	13	34.5 Å²	34.5	8%	0.079	18%	0.177	C	C	.	.			trans	-76.8	115.9	-178.8	-179	0	0	0	0	110.9	A324 I334 A335 F338 F499 I503	A324-V329 HydrophobicContact CB-CG2 4.44Å; A324-V329 VanDerWaalsContact O-CB 3.29Å; A324-V329 WeakPolarHBondContact O-CB 3.41Å; A324-V329 VanDerWaalsContact O-CG2 3.28Å; A324-V329 WeakPolarHBondContact O-CG2 3.34Å; A324-V329 PolarHBondContact O-N 3.21Å; A324-V329 VanDerWaalsContact O-N 3.13Å; V329-I334 HydrophobicContact CG1-CB 4.15Å; V329-I334 HydrophobicContact CG1-CG2 3.85Å; V329-A335 HydrophobicContact CG1-CB 4.14Å; V329-F338 HydrophobicContact CG1-CD2 4.43Å; V329-F338 HydrophobicContact CG2-CD2 4.02Å; V329-F338 HydrophobicContact CG2-CE2 4.18Å; V329-F499 HydrophobicContact CG2-CD2 4.35Å; V329-I503 HydrophobicContact CG2-CD1 4.28Å
330	K	74.4	Confident	80.1	Confident	105 Å²	105	33.7 Å²	33.7	46%	0.457	17%	0.174	S	C	.	.			trans	-74.1	-42.9	-176.3	-56.6	-159.4	175.8	-140.7	0	113.9	G328 D490 Y493	G328-K330 PolarHBondContact O-N 2.67Å; K330-D490 IonicContact NZ-OD1 3.1Å; K330-D490 PolarHBondContact NZ-OD1 2.97Å; K330-Y493 HydrophobicContact CD-CE2 4.42Å; K330-Y493 WeakPolarHBondContact CD-OH 3.28Å; K330-Y493 VanDerWaalsContact CE-OH 3.25Å; K330-Y493 WeakPolarHBondContact CE-OH 3.37Å; K330-Y493 HydrophobicContact CG-CE2 4.09Å; K330-Y493 PolarHBondContact NZ-OH 3.42Å; K330-Y493 VanDerWaalsContact NZ-OH 3.1Å
331	D	78.9	Confident	80.4	Confident	74 Å²	74	36.3 Å²	36.3	40%	0.396	19%	0.186	S	C	.	.			trans	-82.4	127	-175.9	-179.9	-5.1	0	0	0	111.9	T333 I334 A335	D331-T333 VanDerWaalsContact C-N 3.35Å; D331-T333 PolarHBondContact O-N 3.09Å; D331-T333 WeakPolarHBondContact OD1-CB 3.48Å; D331-T333 PolarHBondContact OD1-N 2.95Å; D331-T333 PolarHBondContact OD1-OG1 3.43Å; D331-I334 HydrophobicContact CB-CB 4.1Å; D331-I334 HydrophobicContact CB-CD1 3.97Å; D331-I334 HydrophobicContact CB-CG1 4.08Å; D331-I334 PolarHBondContact O-N 3.28Å; D331-I334 WeakPolarHBondContact OD2-CD1 3.25Å; D331-I334 WeakPolarHBondContact OD2-CG1 3.36Å; D331-A335 WeakPolarHBondContact O-CB 3.18Å; D331-A335 PolarHBondContact O-N 2.95Å
332	N	75	Confident	81.1	Confident	34 Å²	34	36.3 Å²	36.3	18%	0.182	19%	0.185	C	C	.	.	H	α-helix	trans	-60.2	-40.5	176.8	-68.5	-21.5	0	0	0	112.2	L40 E44 K325 A335 M336	L40-N332 HydrophobicContact CB-CB 4.49Å; E44-N332 PolarHBondContact OE1-ND2 3.18Å; E44-N332 VanDerWaalsContact OE1-ND2 3.13Å; K325-N332 PolarHBondContact NZ-OD1 3.3Å; N332-A335 WeakPolarHBondContact O-CB 3.42Å; N332-A335 PolarHBondContact O-N 3.43Å; N332-M336 VanDerWaalsContact O-CG 3.29Å; N332-M336 WeakPolarHBondContact O-CG 3.42Å; N332-M336 PolarHBondContact O-N 3.44Å
333	T	81.7	Confident	81.8	Confident	36 Å²	36	34.3 Å²	34.3	22%	0.221	17%	0.172	C	C	.	.	H	α-helix	trans	-65.7	-43.9	-178.3	-51.9	0	0	0	0	110.9	Y183 D331 M336 W337	Y183-T333 HydrophobicContact CE1-CG2 4.25Å; D331-T333 VanDerWaalsContact C-N 3.35Å; D331-T333 PolarHBondContact O-N 3.09Å; D331-T333 WeakPolarHBondContact OD1-CB 3.48Å; D331-T333 PolarHBondContact OD1-N 2.95Å; D331-T333 PolarHBondContact OD1-OG1 3.43Å; T333-M336 WeakPolarHBondContact O-CB 3.39Å; T333-M336 PolarHBondContact O-N 3.01Å; T333-W337 PolarHBondContact O-N 3.37Å
334	I	83.5	Confident	82.3	Confident	80 Å²	80	36.4 Å²	36.4	41%	0.41	18%	0.183	S	C	.	.	H	α-helix	trans	-67	-38.7	175.6	-64.1	176.1	0	0	0	110.3	V329 D331 M336 W337 F338	V329-I334 HydrophobicContact CG1-CB 4.15Å; V329-I334 HydrophobicContact CG1-CG2 3.85Å; D331-I334 HydrophobicContact CB-CB 4.1Å; D331-I334 HydrophobicContact CB-CD1 3.97Å; D331-I334 HydrophobicContact CB-CG1 4.08Å; D331-I334 PolarHBondContact O-N 3.28Å; D331-I334 WeakPolarHBondContact OD2-CD1 3.25Å; D331-I334 WeakPolarHBondContact OD2-CG1 3.36Å; I334-M336 VanDerWaalsContact C-N 3.29Å; I334-M336 PolarHBondContact O-N 3.16Å; I334-W337 PolarHBondContact O-N 2.75Å; I334-F338 HydrophobicContact CG2-CD2 3.64Å; I334-F338 HydrophobicContact CG2-CE2 3.42Å; I334-F338 VanDerWaalsContact CG2-CE2 3.42Å; I334-F338 VanDerWaalsContact O-CD2 3.29Å; I334-F338 WeakPolarHBondContact O-CD2 3.4Å; I334-F338 PolarHBondContact O-N 3.06Å
335	A	78.7	Confident	82.7	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.4	-31.5	173.5	0	0	0	0	0	113	L40 A324 V329 D331 N332 G339	L40-A335 HydrophobicContact CD1-CB 4.42Å; A324-A335 HydrophobicContact CB-CB 4.2Å; V329-A335 HydrophobicContact CG1-CB 4.14Å; D331-A335 WeakPolarHBondContact O-CB 3.18Å; D331-A335 PolarHBondContact O-N 2.95Å; N332-A335 WeakPolarHBondContact O-CB 3.42Å; N332-A335 PolarHBondContact O-N 3.43Å; A335-G339 PolarHBondContact O-N 3.03Å
336	M	81.9	Confident	83.3	Confident	7 Å²	7	34.6 Å²	34.6	3%	0.034	18%	0.177	C	C	.	.	H	α-helix	trans	-68.3	-44.1	173.6	-69.5	167.8	73.3	0	0	111.7	G37 L40 I41 A178 A179 M194 N332 T333 I334 G339 S340	G37-M336 WeakPolarHBondContact O-CE 3.4Å; L40-M336 HydrophobicContact CB-CG 4.39Å; L40-M336 HydrophobicContact CB-SD 4.17Å; L40-M336 HydrophobicContact CD1-CG 3.44Å; L40-M336 VanDerWaalsContact CD1-CG 3.44Å; L40-M336 HydrophobicContact CD1-SD 4.3Å; I41-M336 HydrophobicContact CD1-CE 4.03Å; I41-M336 HydrophobicContact CD1-SD 4.35Å; I41-M336 HydrophobicContact CG1-SD 4.49Å; A178-M336 VanDerWaalsContact C-CE 3.45Å; A178-M336 HydrophobicContact CB-CE 3.75Å; A178-M336 WeakPolarHBondContact O-CE 3.33Å; A179-M336 HydrophobicContact CB-CB 4.08Å; M194-M336 HydrophobicContact CE-CE 4.26Å; N332-M336 VanDerWaalsContact O-CG 3.29Å; N332-M336 WeakPolarHBondContact O-CG 3.42Å; N332-M336 PolarHBondContact O-N 3.44Å; T333-M336 WeakPolarHBondContact O-CB 3.39Å; T333-M336 PolarHBondContact O-N 3.01Å; I334-M336 VanDerWaalsContact C-N 3.29Å; I334-M336 PolarHBondContact O-N 3.16Å; M336-G339 CarbonylContact O-C 3.48Å; M336-G339 WeakPolarHBondContact O-CA 3.33Å; M336-G339 PolarHBondContact O-N 3.2Å; M336-G339 VanDerWaalsContact O-N 3.15Å; M336-S340 PolarHBondContact O-N 3.45Å
337	W	87.2	Confident	84	Confident	100 Å²	100	35.5 Å²	35.5	38%	0.379	18%	0.18	S	C	.	.	H	α-helix	trans	-60.1	-48.2	172.5	-80	111.7	0	0	0	112	A179 Y183 T333 I334 G339 S340 L341	A179-W337 HydrophobicContact CB-CD2 3.43Å; A179-W337 VanDerWaalsContact CB-CD2 3.43Å; A179-W337 VanDerWaalsContact CB-CE2 3.49Å; A179-W337 HydrophobicContact CB-CE3 3.82Å; A179-W337 HydrophobicContact CB-CG 3.75Å; A179-W337 HydrophobicContact CB-CH2 4.28Å; A179-W337 HydrophobicContact CB-CZ2 3.93Å; A179-W337 HydrophobicContact CB-CZ3 4.22Å; Y183-W337 HydrophobicContact CE2-CZ2 4.05Å; Y183-W337 AromaticContact CE2-NE1 3.47Å; Y183-W337 AromaticContact CZ-NE1 3.68Å; Y183-W337 PolarHBondContact OH-NE1 3.42Å; T333-W337 PolarHBondContact O-N 3.37Å; I334-W337 PolarHBondContact O-N 2.75Å; W337-G339 PolarHBondContact O-N 3.15Å; W337-S340 PolarHBondContact O-N 2.78Å; W337-S340 PolarHBondContact O-OG 3.42Å; W337-L341 PolarHBondContact O-N 3.25Å
338	F	84.7	Confident	84.6	Confident	67 Å²	67	39 Å²	39	29%	0.294	20%	0.198	S	C	.	.	H	α-helix	trans	-61.9	-31	173.8	-77	-57.4	0	0	0	112.8	A324 V329 I334 S340 L341 P342 I503	A324-F338 HydrophobicContact CB-CB 3.86Å; V329-F338 HydrophobicContact CG1-CD2 4.43Å; V329-F338 HydrophobicContact CG2-CD2 4.02Å; V329-F338 HydrophobicContact CG2-CE2 4.18Å; I334-F338 HydrophobicContact CG2-CD2 3.64Å; I334-F338 HydrophobicContact CG2-CE2 3.42Å; I334-F338 VanDerWaalsContact CG2-CE2 3.42Å; I334-F338 VanDerWaalsContact O-CD2 3.29Å; I334-F338 WeakPolarHBondContact O-CD2 3.4Å; I334-F338 PolarHBondContact O-N 3.06Å; F338-S340 VanDerWaalsContact C-N 3.32Å; F338-L341 HydrophobicContact CD1-CD1 4.06Å; F338-P342 WeakPolarHBondContact O-CD 3.47Å; F338-I503 HydrophobicContact CD1-CD1 4.39Å; F338-I503 HydrophobicContact CD1-CG2 4.05Å; F338-I503 HydrophobicContact CG-CD1 4.28Å
339	G	81.9	Confident	85.4	Confident	8 Å²	8	38.3 Å²	38.3	8%	0.082	19%	0.191	C	C	.	.	H	α-helix	trans	-69.9	-24.1	173.2	0	0	0	0	0	114.4	S320 A335 M336 W337	S320-G339 WeakPolarHBondContact CB-O 3.34Å; S320-G339 VanDerWaalsContact OG-CA 3.27Å; S320-G339 WeakPolarHBondContact OG-CA 3.18Å; S320-G339 PolarHBondContact OG-O 2.87Å; A335-G339 PolarHBondContact O-N 3.03Å; M336-G339 CarbonylContact O-C 3.48Å; M336-G339 WeakPolarHBondContact O-CA 3.33Å; M336-G339 PolarHBondContact O-N 3.2Å; M336-G339 VanDerWaalsContact O-N 3.15Å; W337-G339 PolarHBondContact O-N 3.15Å
340	S	87.6	Confident	86.1	Confident	4 Å²	4	37.8 Å²	37.8	3%	0.028	19%	0.188	C	C	.	.	H	α-helix	trans	-81.5	-29.7	178.4	79.3	0	0	0	0	113.8	M336 W337 F338 A343 L344	M336-S340 PolarHBondContact O-N 3.45Å; W337-S340 PolarHBondContact O-N 2.78Å; W337-S340 PolarHBondContact O-OG 3.42Å; F338-S340 VanDerWaalsContact C-N 3.32Å; S340-A343 PolarHBondContact O-N 3.33Å; S340-L344 PolarHBondContact O-N 3.09Å; S340-L344 VanDerWaalsContact O-N 3.1Å
341	L	88.5	Confident	87	Confident	71 Å²	71	34.6 Å²	34.6	37%	0.372	18%	0.181	S	C	.	.	H	α-helix	trans	-63	-41.5	-176.1	-69.1	171.9	0	0	0	114.2	W337 F338 A343 L344 T345 I507	W337-L341 PolarHBondContact O-N 3.25Å; F338-L341 HydrophobicContact CD1-CD1 4.06Å; L341-A343 VanDerWaalsContact C-N 3.32Å; L341-A343 PolarHBondContact O-N 3.02Å; L341-L344 WeakPolarHBondContact O-CB 3.33Å; L341-L344 PolarHBondContact O-N 3.43Å; L341-T345 PolarHBondContact O-N 2.65Å; L341-I507 HydrophobicContact CB-CD1 4.11Å
342	P	88.6	Confident	87.6	Confident	4 Å²	4	34.4 Å²	34.4	3%	0.026	18%	0.179	C	C	.	.	H	α-helix	trans	-62.7	-35.7	174.3	-21.3	31.9	0	0	0	112.7	F338 T345 N346 I507 L510	F338-P342 WeakPolarHBondContact O-CD 3.47Å; P342-T345 PolarHBondContact O-N 2.67Å; P342-T345 PolarHBondContact O-OG1 2.79Å; P342-N346 PolarHBondContact O-N 3.5Å; P342-I507 HydrophobicContact CG-CG1 4.12Å; P342-L510 HydrophobicContact CB-CD1 3.45Å; P342-L510 VanDerWaalsContact CB-CD1 3.45Å; P342-L510 VanDerWaalsContact O-CD1 3.28Å; P342-L510 WeakPolarHBondContact O-CD1 3.47Å
343	A	89.4	Confident	88.3	Confident	7 Å²	7	33 Å²	33	6%	0.058	17%	0.172	C	C	.	.	H	α-helix	trans	-69	-37.4	176.2	0	0	0	0	0	112	E171 W172 L317 S340 L341 T345 N346 F347	E171-A343 HydrophobicContact CB-CB 4.49Å; W172-A343 HydrophobicContact CB-CB 4.26Å; L317-A343 HydrophobicContact CD2-CB 4.34Å; S340-A343 PolarHBondContact O-N 3.33Å; L341-A343 VanDerWaalsContact C-N 3.32Å; L341-A343 PolarHBondContact O-N 3.02Å; A343-T345 VanDerWaalsContact C-N 3.34Å; A343-T345 PolarHBondContact O-N 3.49Å; A343-N346 WeakPolarHBondContact O-CB 3.44Å; A343-N346 PolarHBondContact O-N 3.07Å; A343-F347 PolarHBondContact O-N 3.29Å
344	L	92.1	Very high	88.6	Confident	48 Å²	48	31.7 Å²	31.7	25%	0.251	17%	0.165	S	C	.	.	H	α-helix	trans	-59.2	-42.7	172.5	177.5	54.5	0	0	0	111.9	W172 S340 L341 F347 I348	W172-L344 HydrophobicContact CD2-CB 4.48Å; W172-L344 HydrophobicContact CD2-CD1 3.76Å; W172-L344 HydrophobicContact CE3-CD1 4.17Å; W172-L344 HydrophobicContact CG-CB 3.99Å; W172-L344 HydrophobicContact CG-CD1 4.12Å; W172-L344 HydrophobicContact CH2-CD1 4.49Å; W172-L344 HydrophobicContact CZ2-CD1 4.1Å; S340-L344 PolarHBondContact O-N 3.09Å; S340-L344 VanDerWaalsContact O-N 3.1Å; L341-L344 WeakPolarHBondContact O-CB 3.33Å; L341-L344 PolarHBondContact O-N 3.43Å; L344-F347 PolarHBondContact O-N 3.3Å; L344-I348 HydrophobicContact CD1-CD1 3.82Å; L344-I348 HydrophobicContact CD1-CG1 4.17Å; L344-I348 HydrophobicContact CG-CD1 3.91Å; L344-I348 WeakPolarHBondContact O-CG1 3.36Å; L344-I348 PolarHBondContact O-N 3.3Å
345	T	91.5	Very high	88.8	Confident	22 Å²	22	31.1 Å²	31.1	14%	0.135	16%	0.158	C	C	.	.	H	α-helix	trans	-73.9	-27.7	178.3	60.7	0	0	0	0	113.4	L341 P342 A343 G349 I507	L341-T345 PolarHBondContact O-N 2.65Å; P342-T345 PolarHBondContact O-N 2.67Å; P342-T345 PolarHBondContact O-OG1 2.79Å; A343-T345 VanDerWaalsContact C-N 3.34Å; A343-T345 PolarHBondContact O-N 3.49Å; T345-G349 PolarHBondContact O-N 3.27Å; T345-I507 HydrophobicContact CG2-CG2 3.61Å; T345-I507 PolarHBondContact OG1-O 2.89Å; T345-I507 VanDerWaalsContact OG1-O 3.07Å
346	N	92	Very high	89.1	Confident	4 Å²	4	32.4 Å²	32.4	2%	0.021	16%	0.164	C	C	.	.	H	α-helix	trans	-59.2	-48.7	166.2	-164.1	20.5	0	0	0	110.6	T168 E171 P342 A343 G349 T350 L510 A514	T168-N346 HydrophobicContact CG2-CB 4.4Å; T168-N346 VanDerWaalsContact CG2-ND2 3.32Å; T168-N346 WeakPolarHBondContact CG2-ND2 3.26Å; E171-N346 PolarHBondContact OE2-ND2 3.19Å; P342-N346 PolarHBondContact O-N 3.5Å; A343-N346 WeakPolarHBondContact O-CB 3.44Å; A343-N346 PolarHBondContact O-N 3.07Å; N346-G349 PolarHBondContact O-N 3.16Å; N346-T350 PolarHBondContact O-N 3.41Å; N346-T350 PolarHBondContact O-OG1 3.02Å; N346-L510 HydrophobicContact CB-CB 4.42Å; N346-A514 VanDerWaalsContact O-CB 3.26Å; N346-A514 WeakPolarHBondContact O-CB 3.47Å; N346-A514 WeakPolarHBondContact OD1-CB 3.38Å
347	F	93.5	Very high	89.3	Confident	47 Å²	47	32 Å²	32	21%	0.206	16%	0.163	C	C	.	.	H	α-helix	trans	-58.5	-52	176.2	173.4	-118.6	0	0	0	113.4	L165 T168 L169 W172 A343 L344 G349 T350 A351	L165-F347 HydrophobicContact CD1-CD2 3.73Å; L165-F347 HydrophobicContact CD1-CE2 3.47Å; L165-F347 VanDerWaalsContact CD1-CE2 3.47Å; L165-F347 HydrophobicContact CD1-CZ 4.48Å; L165-F347 HydrophobicContact CG-CE2 4.2Å; T168-F347 WeakPolarHBondContact OG1-CA 3.07Å; L169-F347 HydrophobicContact CB-CD2 3.69Å; L169-F347 HydrophobicContact CB-CE2 3.61Å; L169-F347 HydrophobicContact CB-CG 4.48Å; L169-F347 HydrophobicContact CB-CZ 4.34Å; L169-F347 HydrophobicContact CD1-CD1 4.38Å; L169-F347 HydrophobicContact CD1-CD2 4.31Å; L169-F347 HydrophobicContact CD1-CE1 4.02Å; L169-F347 HydrophobicContact CD1-CE2 3.95Å; L169-F347 HydrophobicContact CD1-CZ 3.8Å; L169-F347 HydrophobicContact CG-CE2 4.21Å; L169-F347 HydrophobicContact CG-CZ 4.47Å; W172-F347 HydrophobicContact CE3-CD1 4.22Å; A343-F347 PolarHBondContact O-N 3.29Å; L344-F347 PolarHBondContact O-N 3.3Å; F347-G349 VanDerWaalsContact C-N 3.33Å; F347-G349 PolarHBondContact O-N 3.23Å; F347-T350 PolarHBondContact O-N 3.12Å; F347-A351 PolarHBondContact O-N 3.42Å
348	I	93.2	Very high	89.1	Confident	74 Å²	74	28.7 Å²	28.7	38%	0.379	15%	0.151	S	C	.	.	H	α-helix	trans	-60.8	-43.3	179.9	-66.9	167.4	0	0	0	110.9	L344 A351 I352 L511	L344-I348 HydrophobicContact CD1-CD1 3.82Å; L344-I348 HydrophobicContact CD1-CG1 4.17Å; L344-I348 HydrophobicContact CG-CD1 3.91Å; L344-I348 WeakPolarHBondContact O-CG1 3.36Å; L344-I348 PolarHBondContact O-N 3.3Å; I348-A351 WeakPolarHBondContact O-CB 3.43Å; I348-A351 PolarHBondContact O-N 2.67Å; I348-I352 HydrophobicContact CG2-CD1 4.08Å; I348-I352 WeakPolarHBondContact O-CG1 3.39Å; I348-I352 PolarHBondContact O-N 2.79Å; I348-I352 VanDerWaalsContact O-N 3.15Å; I348-L511 HydrophobicContact CG2-CD1 4.4Å
349	G	91.7	Very high	89.1	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.1	-39.9	178.4	0	0	0	0	0	112.8	T345 N346 F347 A351 I352 G353 A514	T345-G349 PolarHBondContact O-N 3.27Å; N346-G349 PolarHBondContact O-N 3.16Å; F347-G349 VanDerWaalsContact C-N 3.33Å; F347-G349 PolarHBondContact O-N 3.23Å; G349-A351 VanDerWaalsContact C-N 3.32Å; G349-A351 PolarHBondContact O-N 2.88Å; G349-I352 PolarHBondContact O-N 3.46Å; G349-G353 PolarHBondContact O-N 3Å; G349-A514 CarbonylContact C-O 3.46Å; G349-A514 CarbonylContact O-C 3.51Å
350	T	92.9	Very high	89.2	Confident	1 Å²	1	33 Å²	33	1%	0.006	17%	0.173	C	C	.	.	H	α-helix	trans	-68.6	-32.9	177.1	-55.1	0	0	0	0	111.3	L165 N346 F347 I352 G353 T354 A514 S518	L165-T350 HydrophobicContact CB-CG2 4.07Å; L165-T350 HydrophobicContact CD1-CG2 4.39Å; N346-T350 PolarHBondContact O-N 3.41Å; N346-T350 PolarHBondContact O-OG1 3.02Å; F347-T350 PolarHBondContact O-N 3.12Å; T350-I352 VanDerWaalsContact C-N 3.34Å; T350-G353 PolarHBondContact O-N 2.81Å; T350-T354 WeakPolarHBondContact O-CB 3.41Å; T350-T354 PolarHBondContact O-N 2.8Å; T350-T354 PolarHBondContact O-OG1 3.23Å; T350-A514 WeakPolarHBondContact CA-O 3.27Å; T350-S518 WeakPolarHBondContact OG1-CB 3.32Å; T350-S518 PolarHBondContact OG1-OG 3.03Å
351	A	92.4	Very high	89.1	Confident	39 Å²	39	32.9 Å²	32.9	32%	0.322	17%	0.173	S	C	.	.	H	α-helix	trans	-63	-42.9	173.5	0	0	0	0	0	111.2	L165 F347 I348 G349 Y355	L165-A351 HydrophobicContact CD1-CB 3.68Å; F347-A351 PolarHBondContact O-N 3.42Å; I348-A351 WeakPolarHBondContact O-CB 3.43Å; I348-A351 PolarHBondContact O-N 2.67Å; G349-A351 VanDerWaalsContact C-N 3.32Å; G349-A351 PolarHBondContact O-N 2.88Å; A351-Y355 PolarHBondContact O-N 3.29Å
352	I	91.8	Very high	89.1	Confident	69 Å²	69	29.6 Å²	29.6	35%	0.354	16%	0.155	S	C	.	.	H	α-helix	trans	-67.2	-44.4	175.1	-61.8	164.1	0	0	0	110.3	I348 G349 T350 T354 Y355 L356 L515	I348-I352 HydrophobicContact CG2-CD1 4.08Å; I348-I352 WeakPolarHBondContact O-CG1 3.39Å; I348-I352 PolarHBondContact O-N 2.79Å; I348-I352 VanDerWaalsContact O-N 3.15Å; G349-I352 PolarHBondContact O-N 3.46Å; T350-I352 VanDerWaalsContact C-N 3.34Å; I352-T354 VanDerWaalsContact C-N 3.34Å; I352-T354 PolarHBondContact O-N 2.81Å; I352-Y355 WeakPolarHBondContact O-CB 3.46Å; I352-Y355 PolarHBondContact O-N 3.01Å; I352-Y355 VanDerWaalsContact O-N 3.09Å; I352-L356 HydrophobicContact CG2-CD1 3.85Å; I352-L356 HydrophobicContact CG2-CG 4.18Å; I352-L356 WeakPolarHBondContact O-CG 3.43Å; I352-L356 PolarHBondContact O-N 3.28Å; I352-L515 HydrophobicContact CB-CD2 3.73Å; I352-L515 HydrophobicContact CD1-CD2 4.49Å; I352-L515 HydrophobicContact CG2-CD2 3.46Å; I352-L515 VanDerWaalsContact CG2-CD2 3.46Å
353	G	88.8	Confident	89.1	Confident	4 Å²	4	30.1 Å²	30.1	4%	0.041	16%	0.157	C	C	.	.	H	α-helix	trans	-59.4	-40.7	177.3	0	0	0	0	0	113.4	G349 T350 Y355 L356 V357 L515	G349-G353 PolarHBondContact O-N 3Å; T350-G353 PolarHBondContact O-N 2.81Å; G353-Y355 VanDerWaalsContact C-N 3.27Å; G353-Y355 PolarHBondContact O-N 3.41Å; G353-L356 PolarHBondContact O-N 3.09Å; G353-L356 VanDerWaalsContact O-N 3.09Å; G353-V357 PolarHBondContact O-N 2.88Å; G353-L515 WeakPolarHBondContact CA-O 3.46Å
354	T	89.3	Confident	89	Confident	10 Å²	10	31.2 Å²	31.2	6%	0.061	16%	0.164	C	C	.	.	H	α-helix	trans	-57.4	-38.8	173.3	-58.1	0	0	0	0	112	I158 N161 L162 T350 I352 V357	I158-T354 HydrophobicContact CG2-CG2 4.47Å; N161-T354 HydrophobicContact CB-CG2 3.84Å; N161-T354 PolarHBondContact O-OG1 2.78Å; L162-T354 HydrophobicContact CD2-CG2 4.09Å; L162-T354 HydrophobicContact CG-CG2 4.47Å; T350-T354 WeakPolarHBondContact O-CB 3.41Å; T350-T354 PolarHBondContact O-N 2.8Å; T350-T354 PolarHBondContact O-OG1 3.23Å; I352-T354 VanDerWaalsContact C-N 3.34Å; I352-T354 PolarHBondContact O-N 2.81Å; T354-V357 WeakPolarHBondContact O-CG1 3.27Å
355	Y	86.9	Confident	88.9	Confident	68 Å²	68	29.2 Å²	29.2	27%	0.267	15%	0.154	S	C	.	.	H	α-helix	trans	-76.5	-31.7	174.9	179.8	-97	0	0	0	113.4	A351 I352 G353 K359 I1189	A351-Y355 PolarHBondContact O-N 3.29Å; I352-Y355 WeakPolarHBondContact O-CB 3.46Å; I352-Y355 PolarHBondContact O-N 3.01Å; I352-Y355 VanDerWaalsContact O-N 3.09Å; G353-Y355 VanDerWaalsContact C-N 3.27Å; G353-Y355 PolarHBondContact O-N 3.41Å; Y355-K359 HydrophobicContact CD1-CD 4.34Å; Y355-K359 HydrophobicContact CE1-CD 3.71Å; Y355-K359 VanDerWaalsContact CZ-CE 3.42Å; Y355-K359 WeakPolarHBondContact OH-CE 3.45Å; Y355-K359 PolarHBondContact OH-NZ 3.26Å; Y355-I1189 WeakPolarHBondContact OH-CG2 3.27Å
356	L	86.1	Confident	88.9	Confident	26 Å²	26	28.2 Å²	28.2	14%	0.136	15%	0.148	C	C	.	.	H	α-helix	trans	-76.6	-32	-178.6	-69.9	176.7	0	0	0	113.3	I352 G353 E358 K359 V360 T365 L515 Y909	I352-L356 HydrophobicContact CG2-CD1 3.85Å; I352-L356 HydrophobicContact CG2-CG 4.18Å; I352-L356 WeakPolarHBondContact O-CG 3.43Å; I352-L356 PolarHBondContact O-N 3.28Å; G353-L356 PolarHBondContact O-N 3.09Å; G353-L356 VanDerWaalsContact O-N 3.09Å; L356-E358 VanDerWaalsContact C-N 3.34Å; L356-E358 PolarHBondContact O-N 3.12Å; L356-K359 PolarHBondContact O-N 3.02Å; L356-V360 HydrophobicContact CD2-CG2 4.07Å; L356-V360 PolarHBondContact O-N 3.5Å; L356-T365 HydrophobicContact CB-CG2 4.22Å; L356-L515 HydrophobicContact CD1-CD2 4.37Å; L356-Y909 HydrophobicContact CD2-CE2 3.95Å
357	V	85.6	Confident	88.9	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-55.5	-41.6	-171.9	75.8	0	0	0	0	114.2	G157 N161 G353 T354 G361 R362 I520	G157-V357 WeakPolarHBondContact O-CG1 3.31Å; N161-V357 WeakPolarHBondContact ND2-CB 3.33Å; N161-V357 WeakPolarHBondContact ND2-CG1 3.46Å; G353-V357 PolarHBondContact O-N 2.88Å; T354-V357 WeakPolarHBondContact O-CG1 3.27Å; V357-G361 CarbonylContact O-C 3.54Å; V357-G361 VanDerWaalsContact O-CA 3.29Å; V357-G361 WeakPolarHBondContact O-CA 3.5Å; V357-G361 PolarHBondContact O-N 3.23Å; V357-R362 HydrophobicContact CG2-CG 4Å; V357-R362 PolarHBondContact O-NH1 3.49Å; V357-I520 HydrophobicContact CG2-CG1 4.2Å
358	E	83.4	Confident	88.7	Confident	30 Å²	30	35.4 Å²	35.4	14%	0.14	17%	0.174	C	C	.	.	H	α-helix	trans	-85.1	-14.5	177.2	-70.1	-60.1	167.6	0	0	113.1	G157 I158 L356 R362 K591	G157-E358 VanDerWaalsContact CA-OE1 3.23Å; G157-E358 WeakPolarHBondContact CA-OE1 3.21Å; G157-E358 PolarHBondContact N-OE1 2.95Å; I158-E358 HydrophobicContact CD1-CB 4.32Å; I158-E358 HydrophobicContact CD1-CG 3.89Å; I158-E358 HydrophobicContact CG1-CB 4.37Å; I158-E358 HydrophobicContact CG1-CG 3.71Å; L356-E358 VanDerWaalsContact C-N 3.34Å; L356-E358 PolarHBondContact O-N 3.12Å; E358-R362 IonicContact OE1-CZ 2.72Å; E358-R362 IonicContact OE1-NH1 3.17Å; E358-R362 PolarHBondContact OE1-NH1 3.48Å; E358-R362 VanDerWaalsContact OE1-NH1 3.1Å; E358-R362 IonicContact OE1-NH2 3.82Å; E358-R362 PolarHBondContact OE1-NH2 3.01Å; E358-R362 IonicContact OE2-CZ 3.6Å; E358-R362 IonicContact OE2-NH1 3.72Å; E358-R362 PolarHBondContact OE2-NH1 3.12Å; E358-R362 IonicContact OE2-NH2 2.68Å; E358-K591 WeakPolarHBondContact O-CE 3.09Å; E358-K591 PolarHBondContact O-NZ 3.15Å
359	K	84.4	Confident	88.7	Confident	99 Å²	99	32 Å²	32	43%	0.43	16%	0.157	S	C	.	.	H	α-helix	trans	-88	-56.8	177.1	-66.8	-160.4	170.7	-143.5	0	111.7	Y355 L356 K591	Y355-K359 HydrophobicContact CD1-CD 4.34Å; Y355-K359 HydrophobicContact CE1-CD 3.71Å; Y355-K359 VanDerWaalsContact CZ-CE 3.42Å; Y355-K359 WeakPolarHBondContact OH-CE 3.45Å; Y355-K359 PolarHBondContact OH-NZ 3.26Å; L356-K359 PolarHBondContact O-N 3.02Å; K359-K591 PolarHBondContact O-NZ 3.41Å
360	V	83.4	Confident	88.7	Confident	66 Å²	66	32 Å²	32	40%	0.4	16%	0.158	S	C	.	.	H	α-helix	trans	-86.5	-22.3	-173.1	175.2	0	0	0	0	112	L356 S364 T365	L356-V360 HydrophobicContact CD2-CG2 4.07Å; L356-V360 PolarHBondContact O-N 3.5Å; V360-S364 WeakPolarHBondContact O-CB 3.48Å; V360-T365 WeakPolarHBondContact CB-OG1 3.44Å; V360-T365 WeakPolarHBondContact CG1-OG1 3.45Å
361	G	84.8	Confident	88.6	Confident	2 Å²	2	33.9 Å²	33.9	2%	0.021	17%	0.173	C	C	.	.			trans	91.8	159.1	-174.7	0	0	0	0	0	112.3	V357 T365	V357-G361 CarbonylContact O-C 3.54Å; V357-G361 VanDerWaalsContact O-CA 3.29Å; V357-G361 WeakPolarHBondContact O-CA 3.5Å; V357-G361 PolarHBondContact O-N 3.23Å; G361-T365 WeakPolarHBondContact O-CB 3.13Å; G361-T365 PolarHBondContact O-N 3.09Å; G361-T365 PolarHBondContact O-OG1 3.48Å
362	R	89.1	Confident	88.6	Confident	1 Å²	1	34 Å²	34	0%	0.004	17%	0.174	C	C	.	.	H	α-helix	trans	-66.9	-48.5	-177	-69.3	76.4	168.7	138.4	-4.7	109.8	V357 E358 S364 T365 V366 I520 T523 V524 E527 E589 T590	V357-R362 HydrophobicContact CG2-CG 4Å; V357-R362 PolarHBondContact O-NH1 3.49Å; E358-R362 IonicContact OE1-CZ 2.72Å; E358-R362 IonicContact OE1-NH1 3.17Å; E358-R362 PolarHBondContact OE1-NH1 3.48Å; E358-R362 VanDerWaalsContact OE1-NH1 3.1Å; E358-R362 IonicContact OE1-NH2 3.82Å; E358-R362 PolarHBondContact OE1-NH2 3.01Å; E358-R362 IonicContact OE2-CZ 3.6Å; E358-R362 IonicContact OE2-NH1 3.72Å; E358-R362 PolarHBondContact OE2-NH1 3.12Å; E358-R362 IonicContact OE2-NH2 2.68Å; R362-S364 PolarHBondContact O-N 3Å; R362-T365 PolarHBondContact O-N 3.3Å; R362-V366 WeakPolarHBondContact O-CG1 3.38Å; R362-V366 PolarHBondContact O-N 3.4Å; R362-I520 HydrophobicContact CB-CG2 4.09Å; R362-I520 HydrophobicContact CG-CG2 4.41Å; R362-T523 HydrophobicContact CG-CG2 4.44Å; R362-V524 HydrophobicContact CB-CG2 4.08Å; R362-V524 HydrophobicContact CG-CG2 4.04Å; R362-E527 IonicContact CZ-OE1 2.65Å; R362-E527 IonicContact CZ-OE2 3.77Å; R362-E527 IonicContact NE-OE1 3.5Å; R362-E527 PolarHBondContact NE-OE1 3.15Å; R362-E527 IonicContact NE-OE2 3.14Å; R362-E527 PolarHBondContact NE-OE2 3.41Å; R362-E527 VanDerWaalsContact NE-OE2 3.1Å; R362-E527 IonicContact NH2-OE1 2.91Å; R362-E527 PolarHBondContact NH2-OE1 2.74Å; R362-E527 IonicContact NH2-OE2 3.1Å; R362-E589 PolarHBondContact N-OE1 3.41Å; R362-E589 PolarHBondContact N-OE2 3.13Å; R362-T590 VanDerWaalsContact CD-OG1 3.29Å; R362-T590 WeakPolarHBondContact CD-OG1 3.29Å; R362-T590 WeakPolarHBondContact CG-OG1 3.25Å
363	R	89.8	Confident	88.7	Confident	15 Å²	15	30.8 Å²	30.8	6%	0.057	16%	0.157	C	C	.	.	H	α-helix	trans	-63.4	-44	-175.4	-172.8	-170.5	179.9	173.9	1	111.9	I367 Y584 L587 E589 Y608	R363-I367 HydrophobicContact CG-CD1 3.87Å; R363-I367 WeakPolarHBondContact O-CD1 3.35Å; R363-I367 WeakPolarHBondContact O-CG1 3.4Å; R363-I367 PolarHBondContact O-N 3.03Å; R363-Y584 PolarHBondContact NH2-O 3.5Å; R363-L587 HydrophobicContact CB-CD2 4.29Å; R363-L587 HydrophobicContact CB-CG 4.36Å; R363-L587 WeakPolarHBondContact CD-O 3.29Å; R363-L587 HydrophobicContact CG-CB 4.33Å; R363-L587 HydrophobicContact CG-CD2 4.2Å; R363-L587 HydrophobicContact CG-CG 4.16Å; R363-L587 WeakPolarHBondContact CG-O 3.46Å; R363-L587 PolarHBondContact NE-O 2.92Å; R363-E589 HydrophobicContact CB-CB 4.36Å; R363-E589 VanDerWaalsContact CB-OE2 3.32Å; R363-E589 WeakPolarHBondContact CB-OE2 2.96Å; R363-E589 PolarHBondContact N-OE2 3.09Å; R363-Y608 PolarHBondContact NH1-O 3.35Å; R363-Y608 VanDerWaalsContact NH1-O 3.15Å; R363-Y608 PolarHBondContact NH2-O 2.9Å
364	S	86.8	Confident	88.9	Confident	30 Å²	30	31.4 Å²	31.4	21%	0.21	16%	0.161	C	C	.	.	H	α-helix	trans	-71.6	-42.2	-177.4	-172.9	0	0	0	0	111.9	V360 R362 I367 W368	V360-S364 WeakPolarHBondContact O-CB 3.48Å; R362-S364 PolarHBondContact O-N 3Å; S364-I367 PolarHBondContact O-N 2.8Å; S364-W368 VanDerWaalsContact O-CD1 3.24Å; S364-W368 PolarHBondContact O-N 3.3Å
365	T	89.8	Confident	89	Confident	7 Å²	7	32.9 Å²	32.9	4%	0.043	17%	0.174	C	C	.	.	H	α-helix	trans	-67.4	-41.2	-176.1	-50.1	0	0	0	0	112.1	L356 V360 G361 R362 S369 L515 I520	L356-T365 HydrophobicContact CB-CG2 4.22Å; V360-T365 WeakPolarHBondContact CB-OG1 3.44Å; V360-T365 WeakPolarHBondContact CG1-OG1 3.45Å; G361-T365 WeakPolarHBondContact O-CB 3.13Å; G361-T365 PolarHBondContact O-N 3.09Å; G361-T365 PolarHBondContact O-OG1 3.48Å; R362-T365 PolarHBondContact O-N 3.3Å; T365-S369 WeakPolarHBondContact O-CB 3.37Å; T365-S369 PolarHBondContact O-N 3.11Å; T365-S369 VanDerWaalsContact O-N 3.09Å; T365-L515 WeakPolarHBondContact CG2-O 3.45Å; T365-I520 VanDerWaalsContact CB-CD1 3.49Å; T365-I520 HydrophobicContact CG2-CD1 3.66Å
366	V	92	Very high	89.2	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-69.3	-37.7	178.6	73.2	0	0	0	0	112.8	L304 R362 W368 S369 T370 L517 I520 L583 L587	L304-V366 HydrophobicContact CD1-CG2 4.09Å; R362-V366 WeakPolarHBondContact O-CG1 3.38Å; R362-V366 PolarHBondContact O-N 3.4Å; V366-W368 PolarHBondContact O-N 3.43Å; V366-S369 PolarHBondContact O-N 2.74Å; V366-T370 HydrophobicContact CG2-CG2 4.06Å; V366-T370 WeakPolarHBondContact O-CG2 3.49Å; V366-T370 PolarHBondContact O-N 3.41Å; V366-T370 PolarHBondContact O-OG1 2.87Å; V366-L517 HydrophobicContact CG2-CD2 3.83Å; V366-L517 HydrophobicContact CG2-CG 4.26Å; V366-I520 HydrophobicContact CB-CB 4.49Å; V366-I520 HydrophobicContact CB-CD1 4.03Å; V366-I520 HydrophobicContact CB-CG2 4.22Å; V366-L583 HydrophobicContact CG2-CD1 4.26Å; V366-L587 HydrophobicContact CG1-CD2 3.29Å
367	I	91	Very high	89.5	Confident	18 Å²	18	28.7 Å²	28.7	9%	0.092	16%	0.157	C	C	.	.	H	α-helix	trans	-64.7	-41.5	178.8	-68.2	165.9	0	0	0	111.5	R363 S364 T370 A371 T580 L583 Y584	R363-I367 HydrophobicContact CG-CD1 3.87Å; R363-I367 WeakPolarHBondContact O-CD1 3.35Å; R363-I367 WeakPolarHBondContact O-CG1 3.4Å; R363-I367 PolarHBondContact O-N 3.03Å; S364-I367 PolarHBondContact O-N 2.8Å; I367-T370 PolarHBondContact O-OG1 3.01Å; I367-T370 VanDerWaalsContact O-OG1 3.06Å; I367-A371 VanDerWaalsContact O-CB 3.27Å; I367-A371 WeakPolarHBondContact O-CB 3.35Å; I367-A371 PolarHBondContact O-N 2.89Å; I367-T580 HydrophobicContact CG2-CG2 4.23Å; I367-L583 HydrophobicContact CG1-CB 4.35Å; I367-Y584 HydrophobicContact CD1-CD2 4.12Å; I367-Y584 HydrophobicContact CG2-CD2 4.48Å
368	W	90	Very high	89.9	Confident	184 Å²	184	32.5 Å²	32.5	70%	0.697	18%	0.177	S	C	*	.	H	α-helix	trans	-66	-40.8	174.8	-79.9	112.4	0	0	0	111.8	S364 V366 A372	S364-W368 VanDerWaalsContact O-CD1 3.24Å; S364-W368 PolarHBondContact O-N 3.3Å; V366-W368 PolarHBondContact O-N 3.43Å; W368-A372 WeakPolarHBondContact O-CB 3.49Å; W368-A372 PolarHBondContact O-N 3.05Å; W368-A372 VanDerWaalsContact O-N 3.1Å
369	S	93	Very high	90.3	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.021	19%	0.191	C	C	.	.	H	α-helix	trans	-64.5	-44	176.9	-178.3	0	0	0	0	112	T365 V366 S373 V512 F513 G516 L517	T365-S369 WeakPolarHBondContact O-CB 3.37Å; T365-S369 PolarHBondContact O-N 3.11Å; T365-S369 VanDerWaalsContact O-N 3.09Å; V366-S369 PolarHBondContact O-N 2.74Å; S369-S373 WeakPolarHBondContact O-CB 3.24Å; S369-S373 PolarHBondContact O-N 3.28Å; S369-S373 PolarHBondContact O-OG 3.3Å; S369-V512 PolarHBondContact OG-O 2.98Å; S369-F513 PolarHBondContact OG-O 2.98Å; S369-G516 PolarHBondContact OG-N 3.09Å; S369-L517 PolarHBondContact OG-N 3.29Å; S369-L517 VanDerWaalsContact OG-N 3.08Å
370	T	92.4	Very high	90.6	Very high	1 Å²	1	31 Å²	31	1%	0.006	17%	0.17	C	C	.	.	H	α-helix	trans	-66.2	-43.1	178	62.8	0	0	0	0	111.9	I307 V366 I367 S373 S374 L517 T580 L583	I307-T370 HydrophobicContact CG2-CG2 4.42Å; V366-T370 HydrophobicContact CG2-CG2 4.06Å; V366-T370 WeakPolarHBondContact O-CG2 3.49Å; V366-T370 PolarHBondContact O-N 3.41Å; V366-T370 PolarHBondContact O-OG1 2.87Å; I367-T370 PolarHBondContact O-OG1 3.01Å; I367-T370 VanDerWaalsContact O-OG1 3.06Å; T370-S373 PolarHBondContact O-N 2.97Å; T370-S374 PolarHBondContact O-N 3.32Å; T370-L517 HydrophobicContact CG2-CD1 3.66Å; T370-L517 HydrophobicContact CG2-CD2 3.67Å; T370-L517 HydrophobicContact CG2-CG 3.7Å; T370-T580 VanDerWaalsContact C-OG1 3.24Å; T370-T580 VanDerWaalsContact CB-OG1 3.24Å; T370-T580 WeakPolarHBondContact CB-OG1 3.33Å; T370-T580 WeakPolarHBondContact OG1-CB 3.44Å; T370-T580 PolarHBondContact OG1-OG1 2.91Å; T370-L583 HydrophobicContact CG2-CD1 3.72Å
371	A	90.7	Very high	91	Very high	40 Å²	40	27.8 Å²	27.8	33%	0.331	15%	0.151	S	C	.	.	H	α-helix	trans	-61	-48.6	-179.6	0	0	0	0	0	111.5	I367 S374 A375 T580	I367-A371 VanDerWaalsContact O-CB 3.27Å; I367-A371 WeakPolarHBondContact O-CB 3.35Å; I367-A371 PolarHBondContact O-N 2.89Å; A371-S374 WeakPolarHBondContact O-CB 3.46Å; A371-S374 PolarHBondContact O-N 2.98Å; A371-A375 PolarHBondContact O-N 2.93Å; A371-T580 HydrophobicContact CB-CG2 3.77Å; A371-T580 PolarHBondContact N-OG1 3.41Å
372	A	91.8	Very high	91.3	Very high	42 Å²	42	30.9 Å²	30.9	35%	0.347	17%	0.167	S	C	.	.	H	α-helix	trans	-80.3	-21.4	-178.6	0	0	0	0	0	112.4	W368 A375 G376 V512	W368-A372 WeakPolarHBondContact O-CB 3.49Å; W368-A372 PolarHBondContact O-N 3.05Å; W368-A372 VanDerWaalsContact O-N 3.1Å; A372-A375 PolarHBondContact O-N 3.35Å; A372-G376 PolarHBondContact O-N 3.48Å; A372-V512 HydrophobicContact CB-CG1 3.27Å
373	S	93.2	Very high	91.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.2	-43.3	167.1	-63.7	0	0	0	0	111.1	S369 T370 A375 G376 V377 F513	S369-S373 WeakPolarHBondContact O-CB 3.24Å; S369-S373 PolarHBondContact O-N 3.28Å; S369-S373 PolarHBondContact O-OG 3.3Å; T370-S373 PolarHBondContact O-N 2.97Å; S373-A375 VanDerWaalsContact C-N 3.29Å; S373-A375 PolarHBondContact O-N 3.28Å; S373-G376 PolarHBondContact O-N 3.2Å; S373-V377 WeakPolarHBondContact O-CG2 3.19Å; S373-V377 PolarHBondContact O-N 3.16Å; S373-F513 VanDerWaalsContact OG-CA 3.31Å; S373-F513 WeakPolarHBondContact OG-CA 3.47Å
374	S	93.3	Very high	91.4	Very high	17 Å²	17	30.2 Å²	30.2	12%	0.119	16%	0.164	C	C	.	.	H	α-helix	trans	-56.6	-42.7	174.9	178.7	0	0	0	0	112.1	T370 A371 V377 L378 A573 T576	T370-S374 PolarHBondContact O-N 3.32Å; A371-S374 WeakPolarHBondContact O-CB 3.46Å; A371-S374 PolarHBondContact O-N 2.98Å; S374-V377 PolarHBondContact O-N 3.27Å; S374-L378 WeakPolarHBondContact O-CB 3.42Å; S374-L378 PolarHBondContact O-N 3.09Å; S374-A573 PolarHBondContact OG-O 3.33Å; S374-T576 VanDerWaalsContact CA-OG1 3.24Å; S374-T576 WeakPolarHBondContact CA-OG1 3.42Å; S374-T576 VanDerWaalsContact CB-OG1 3.24Å; S374-T576 WeakPolarHBondContact CB-OG1 3.44Å; S374-T576 PolarHBondContact OG-OG1 3.02Å
375	A	91.5	Very high	91.6	Very high	41 Å²	41	31 Å²	31	34%	0.339	17%	0.169	S	C	.	.	H	α-helix	trans	-63.5	-42	172.8	0	0	0	0	0	112.7	A371 A372 S373 L378 F379	A371-A375 PolarHBondContact O-N 2.93Å; A372-A375 PolarHBondContact O-N 3.35Å; S373-A375 VanDerWaalsContact C-N 3.29Å; S373-A375 PolarHBondContact O-N 3.28Å; A375-L378 WeakPolarHBondContact O-CB 3.24Å; A375-L378 PolarHBondContact O-N 2.81Å; A375-F379 WeakPolarHBondContact O-CD2 3.41Å; A375-F379 PolarHBondContact O-N 2.92Å
376	G	91.4	Very high	91.5	Very high	3 Å²	3	32.1 Å²	32.1	3%	0.031	18%	0.175	C	C	.	.	H	α-helix	trans	-60.2	-44.9	176.7	0	0	0	0	0	113.3	A372 S373 F379 M380	A372-G376 PolarHBondContact O-N 3.48Å; S373-G376 PolarHBondContact O-N 3.2Å; G376-F379 PolarHBondContact O-N 3.23Å; G376-M380 PolarHBondContact O-N 3.2Å
377	V	92.5	Very high	91.2	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.018	18%	0.176	C	C	.	.	H	α-helix	trans	-66.8	-38.5	175.2	-174.6	0	0	0	0	111.3	S373 S374 F379 M380 G381 F509 Y569 A573	S373-V377 WeakPolarHBondContact O-CG2 3.19Å; S373-V377 PolarHBondContact O-N 3.16Å; S374-V377 PolarHBondContact O-N 3.27Å; V377-F379 PolarHBondContact O-N 2.97Å; V377-M380 WeakPolarHBondContact O-CB 3.46Å; V377-M380 PolarHBondContact O-N 2.71Å; V377-M380 VanDerWaalsContact O-N 3.08Å; V377-G381 PolarHBondContact O-N 3.08Å; V377-F509 HydrophobicContact CG2-CD2 3.45Å; V377-F509 VanDerWaalsContact CG2-CD2 3.45Å; V377-F509 HydrophobicContact CG2-CE2 3.29Å; V377-F509 HydrophobicContact CG2-CG 4.17Å; V377-F509 HydrophobicContact CG2-CZ 3.91Å; V377-Y569 HydrophobicContact CG1-CD1 4.13Å; V377-Y569 WeakPolarHBondContact CG1-O 3.5Å; V377-A573 HydrophobicContact CB-CB 4.14Å; V377-A573 HydrophobicContact CG1-CB 4.1Å
378	L	93.5	Very high	90.9	Very high	80 Å²	80	32.5 Å²	32.5	42%	0.419	18%	0.18	S	C	.	.	H	α-helix	trans	-59.9	-43.8	175.2	-178.1	64.7	0	0	0	111.8	S374 A375 M380 G381 I382 Y570 A573	S374-L378 WeakPolarHBondContact O-CB 3.42Å; S374-L378 PolarHBondContact O-N 3.09Å; A375-L378 WeakPolarHBondContact O-CB 3.24Å; A375-L378 PolarHBondContact O-N 2.81Å; L378-M380 VanDerWaalsContact C-N 3.27Å; L378-M380 PolarHBondContact O-N 3.3Å; L378-G381 PolarHBondContact O-N 3.09Å; L378-I382 HydrophobicContact CG-CD1 4.28Å; L378-I382 WeakPolarHBondContact O-CG1 3.24Å; L378-I382 PolarHBondContact O-N 3.25Å; L378-Y570 HydrophobicContact CD1-CD1 3.88Å; L378-Y570 HydrophobicContact CD1-CE1 3.97Å; L378-A573 HydrophobicContact CB-CB 4.11Å
379	F	92.2	Very high	90.6	Very high	97 Å²	97	27.4 Å²	27.4	43%	0.425	17%	0.173	S	C	.	.	H	α-helix	trans	-61.7	-33.8	173.4	-79.3	-64.6	0	0	0	112.8	A375 G376 V377 I382 G383 A505 I758	A375-F379 WeakPolarHBondContact O-CD2 3.41Å; A375-F379 PolarHBondContact O-N 2.92Å; G376-F379 PolarHBondContact O-N 3.23Å; V377-F379 PolarHBondContact O-N 2.97Å; F379-I382 HydrophobicContact CD1-CD1 4.35Å; F379-I382 PolarHBondContact O-N 3.18Å; F379-G383 PolarHBondContact O-N 2.9Å; F379-A505 HydrophobicContact CB-CB 4.08Å; F379-I758 HydrophobicContact CE1-CD1 4.49Å
380	M	90.6	Very high	90.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-67.3	-40	175.3	-160.9	167.9	-173.5	0	0	111.6	V316 I323 G376 V377 L378 G383 F384 A505 Y569	V316-M380 HydrophobicContact CG2-CE 4.22Å; V316-M380 HydrophobicContact CG2-SD 3.96Å; I323-M380 HydrophobicContact CD1-CE 4.11Å; I323-M380 HydrophobicContact CG2-CE 3.79Å; G376-M380 PolarHBondContact O-N 3.2Å; V377-M380 WeakPolarHBondContact O-CB 3.46Å; V377-M380 PolarHBondContact O-N 2.71Å; V377-M380 VanDerWaalsContact O-N 3.08Å; L378-M380 VanDerWaalsContact C-N 3.27Å; L378-M380 PolarHBondContact O-N 3.3Å; M380-G383 PolarHBondContact O-N 3.34Å; M380-F384 HydrophobicContact CE-CE2 4.32Å; M380-F384 HydrophobicContact CG-CE2 4.34Å; M380-F384 WeakPolarHBondContact O-CD2 3.45Å; M380-F384 PolarHBondContact O-N 3.37Å; M380-F384 VanDerWaalsContact O-N 3.17Å; M380-A505 HydrophobicContact CB-CB 3.93Å; M380-A505 HydrophobicContact CG-CB 4.35Å; M380-Y569 HydrophobicContact CB-CD1 4.21Å; M380-Y569 HydrophobicContact CB-CG 4.27Å; M380-Y569 HydrophobicContact CE-CE1 3.82Å; M380-Y569 HydrophobicContact CE-CE2 4.49Å; M380-Y569 WeakPolarHBondContact CE-OH 3.08Å; M380-Y569 HydrophobicContact CG-CD1 3.98Å; M380-Y569 HydrophobicContact CG-CD2 4.3Å; M380-Y569 HydrophobicContact CG-CE1 3.95Å; M380-Y569 HydrophobicContact CG-CE2 4.3Å; M380-Y569 HydrophobicContact CG-CG 4.17Å; M380-Y569 HydrophobicContact SD-CD1 3.83Å; M380-Y569 HydrophobicContact SD-CE1 3.4Å; M380-Y569 WeakPolarHBondContact SD-CE1 3.27Å
381	G	91.8	Very high	89.5	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62	-43.5	171.1	0	0	0	0	0	113.1	V377 L378 G383 F384 S385 Q566	V377-G381 PolarHBondContact O-N 3.08Å; L378-G381 PolarHBondContact O-N 3.09Å; G381-G383 VanDerWaalsContact C-N 3.33Å; G381-G383 PolarHBondContact O-N 3.42Å; G381-F384 PolarHBondContact O-N 3.14Å; G381-S385 WeakPolarHBondContact O-CB 3.17Å; G381-S385 PolarHBondContact O-N 2.69Å; G381-Q566 WeakPolarHBondContact O-CB 3.39Å
382	I	91.9	Very high	88.9	Confident	66 Å²	66	32.8 Å²	32.8	34%	0.338	20%	0.198	S	C	.	.	H	α-helix	trans	-61	-41.7	174.1	-66.6	165.4	0	0	0	110.9	L378 F379 F384 S385 L386 Y570	L378-I382 HydrophobicContact CG-CD1 4.28Å; L378-I382 WeakPolarHBondContact O-CG1 3.24Å; L378-I382 PolarHBondContact O-N 3.25Å; F379-I382 HydrophobicContact CD1-CD1 4.35Å; F379-I382 PolarHBondContact O-N 3.18Å; I382-F384 PolarHBondContact O-N 2.67Å; I382-S385 WeakPolarHBondContact O-CB 3.45Å; I382-S385 PolarHBondContact O-N 3.01Å; I382-L386 HydrophobicContact CG2-CD1 4.12Å; I382-L386 HydrophobicContact CG2-CG 4.42Å; I382-L386 WeakPolarHBondContact O-CG 3.2Å; I382-L386 PolarHBondContact O-N 3.5Å; I382-Y570 HydrophobicContact CG1-CE1 4.48Å
383	G	89.7	Confident	88.2	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-57.9	-48.9	176.8	0	0	0	0	0	113.1	F379 M380 G381 S385 L386 I387 I501	F379-G383 PolarHBondContact O-N 2.9Å; M380-G383 PolarHBondContact O-N 3.34Å; G381-G383 VanDerWaalsContact C-N 3.33Å; G381-G383 PolarHBondContact O-N 3.42Å; G383-S385 VanDerWaalsContact C-N 3.34Å; G383-L386 PolarHBondContact O-N 3.22Å; G383-I387 WeakPolarHBondContact O-CG1 3.32Å; G383-I387 PolarHBondContact O-N 3.41Å; G383-I387 VanDerWaalsContact O-N 3.14Å; G383-I501 VanDerWaalsContact CA-CG2 3.46Å
384	F	89.6	Confident	87.5	Confident	3 Å²	3	42.4 Å²	42.4	1%	0.013	23%	0.234	C	C	.	.	H	α-helix	trans	-67.7	-33	174.6	-78	-70.8	0	0	0	112.9	I323 M380 G381 I382 L386 I387 A388 P502 R565 Q566 Y569	I323-F384 HydrophobicContact CG2-CZ 4.4Å; M380-F384 HydrophobicContact CE-CE2 4.32Å; M380-F384 HydrophobicContact CG-CE2 4.34Å; M380-F384 WeakPolarHBondContact O-CD2 3.45Å; M380-F384 PolarHBondContact O-N 3.37Å; M380-F384 VanDerWaalsContact O-N 3.17Å; G381-F384 PolarHBondContact O-N 3.14Å; I382-F384 PolarHBondContact O-N 2.67Å; F384-L386 PolarHBondContact O-N 3.18Å; F384-I387 HydrophobicContact CD1-CD1 4.33Å; F384-I387 PolarHBondContact O-N 2.94Å; F384-A388 WeakPolarHBondContact O-CB 3.06Å; F384-A388 PolarHBondContact O-N 3.36Å; F384-P502 HydrophobicContact CD1-CG 4.33Å; F384-P502 HydrophobicContact CD2-CB 4.17Å; F384-P502 HydrophobicContact CD2-CG 4.14Å; F384-P502 HydrophobicContact CE1-CB 4.46Å; F384-P502 HydrophobicContact CE1-CG 4.2Å; F384-P502 HydrophobicContact CE2-CB 3.65Å; F384-P502 HydrophobicContact CE2-CG 4Å; F384-P502 HydrophobicContact CG-CG 4.3Å; F384-P502 HydrophobicContact CZ-CB 3.81Å; F384-P502 HydrophobicContact CZ-CG 4.03Å; F384-R565 HydrophobicContact CB-CB 4.25Å; F384-R565 HydrophobicContact CD1-CB 3.98Å; F384-R565 HydrophobicContact CG-CB 4.01Å; F384-Q566 HydrophobicContact CB-CB 4.01Å; F384-Y569 AromaticContact CD2-CD2 3.68Å; F384-Y569 HydrophobicContact CD2-CD2 3.68Å; F384-Y569 AromaticContact CD2-CE2 3.4Å; F384-Y569 HydrophobicContact CD2-CE2 3.4Å; F384-Y569 HydrophobicContact CE2-CD2 4.09Å; F384-Y569 AromaticContact CE2-CE2 3.34Å; F384-Y569 HydrophobicContact CE2-CE2 3.34Å; F384-Y569 AromaticContact CE2-CZ 3.97Å; F384-Y569 HydrophobicContact CG-CE2 4.46Å; F384-Y569 HydrophobicContact CZ-CE2 4.38Å
385	S	91.4	Very high	86.5	Confident	45 Å²	45	43.8 Å²	43.8	32%	0.315	25%	0.251	S	S	.	.	H	α-helix	trans	-64	-38.2	174.4	-164.6	0	0	0	0	112.6	G381 I382 G383 S389 Y570	G381-S385 WeakPolarHBondContact O-CB 3.17Å; G381-S385 PolarHBondContact O-N 2.69Å; I382-S385 WeakPolarHBondContact O-CB 3.45Å; I382-S385 PolarHBondContact O-N 3.01Å; G383-S385 VanDerWaalsContact C-N 3.34Å; S385-S389 WeakPolarHBondContact O-CB 3.46Å; S385-S389 PolarHBondContact O-N 3.25Å; S385-S389 PolarHBondContact O-OG 3.43Å; S385-Y570 WeakPolarHBondContact CB-OH 3.16Å
386	L	88.2	Confident	86	Confident	32 Å²	32	44.6 Å²	44.6	17%	0.168	25%	0.246	C	C	.	.	H	α-helix	trans	-67.8	-44.1	175	-72	170	0	0	0	111.3	I382 G383 F384 A388 S389 T390 Y498 I501 W891	I382-L386 HydrophobicContact CG2-CD1 4.12Å; I382-L386 HydrophobicContact CG2-CG 4.42Å; I382-L386 WeakPolarHBondContact O-CG 3.2Å; I382-L386 PolarHBondContact O-N 3.5Å; G383-L386 PolarHBondContact O-N 3.22Å; F384-L386 PolarHBondContact O-N 3.18Å; L386-A388 PolarHBondContact O-N 2.79Å; L386-S389 PolarHBondContact O-N 3.05Å; L386-S389 PolarHBondContact O-OG 3.46Å; L386-T390 WeakPolarHBondContact O-CB 3.49Å; L386-T390 PolarHBondContact O-N 3.17Å; L386-T390 PolarHBondContact O-OG1 2.9Å; L386-Y498 HydrophobicContact CB-CD2 4.1Å; L386-Y498 HydrophobicContact CB-CG 4.14Å; L386-I501 HydrophobicContact CD1-CD1 3.6Å; L386-W891 HydrophobicContact CD1-CH2 4.16Å; L386-W891 HydrophobicContact CD1-CZ2 4.42Å
387	I	85.5	Confident	85.6	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-56.4	-48.6	173.1	-66.8	171.5	0	0	0	110.6	G383 F384 S389 T390 S391 T496 P502	G383-I387 WeakPolarHBondContact O-CG1 3.32Å; G383-I387 PolarHBondContact O-N 3.41Å; G383-I387 VanDerWaalsContact O-N 3.14Å; F384-I387 HydrophobicContact CD1-CD1 4.33Å; F384-I387 PolarHBondContact O-N 2.94Å; I387-S389 PolarHBondContact O-N 3.49Å; I387-T390 PolarHBondContact O-N 2.77Å; I387-S391 WeakPolarHBondContact O-CB 3.33Å; I387-S391 PolarHBondContact O-N 3.06Å; I387-T496 HydrophobicContact CG2-CG2 4.12Å; I387-P502 HydrophobicContact CD1-CG 3.6Å
388	A	85.6	Confident	85.2	Confident	23 Å²	23	48.2 Å²	48.2	19%	0.19	27%	0.265	C	S	.	.	H	α-helix	trans	-60.6	-47.4	177.9	0	0	0	0	0	112.1	F384 L386 T390 S391 D421	F384-A388 WeakPolarHBondContact O-CB 3.06Å; F384-A388 PolarHBondContact O-N 3.36Å; L386-A388 PolarHBondContact O-N 2.79Å; A388-T390 VanDerWaalsContact C-N 3.33Å; A388-T390 PolarHBondContact O-N 2.82Å; A388-S391 PolarHBondContact O-N 3.49Å; A388-S391 PolarHBondContact O-OG 3.08Å; A388-D421 HydrophobicContact CB-CB 4.46Å
389	S	83.7	Confident	84.6	Confident	78 Å²	78	45 Å²	45	55%	0.545	25%	0.249	S	C	.	.	H	α-helix	trans	-67.8	-27.1	-176.7	72.8	0	0	0	0	114.9	S385 L386 I387	S385-S389 WeakPolarHBondContact O-CB 3.46Å; S385-S389 PolarHBondContact O-N 3.25Å; S385-S389 PolarHBondContact O-OG 3.43Å; L386-S389 PolarHBondContact O-N 3.05Å; L386-S389 PolarHBondContact O-OG 3.46Å; I387-S389 PolarHBondContact O-N 3.49Å
390	T	81.8	Confident	84.1	Confident	68 Å²	68	45.7 Å²	45.7	42%	0.417	26%	0.256	S	S	.	.	H	α-helix	trans	-105	-3.1	-179.1	-50.7	0	0	0	0	112.9	L386 I387 A388 Y498	L386-T390 WeakPolarHBondContact O-CB 3.49Å; L386-T390 PolarHBondContact O-N 3.17Å; L386-T390 PolarHBondContact O-OG1 2.9Å; I387-T390 PolarHBondContact O-N 2.77Å; A388-T390 VanDerWaalsContact C-N 3.33Å; A388-T390 PolarHBondContact O-N 2.82Å; T390-Y498 HydrophobicContact CG2-CD2 4.23Å; T390-Y498 HydrophobicContact CG2-CE2 3.86Å; T390-Y498 VanDerWaalsContact OG1-CE2 3.3Å; T390-Y498 WeakPolarHBondContact OG1-CE2 3.33Å
391	S	79.4	Confident	83.6	Confident	18 Å²	18	46.8 Å²	46.8	13%	0.126	26%	0.26	C	S	.	.	S	Bend	trans	-57.4	142.4	172.7	71.3	0	0	0	0	110.9	I387 A388 R393	I387-S391 WeakPolarHBondContact O-CB 3.33Å; I387-S391 PolarHBondContact O-N 3.06Å; A388-S391 PolarHBondContact O-N 3.49Å; A388-S391 PolarHBondContact O-OG 3.08Å; S391-R393 PolarHBondContact O-N 3.35Å
392	M	78.9	Confident	83.2	Confident	70 Å²	70	49.9 Å²	49.9	35%	0.345	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-61.1	127.3	-178.6	-65.1	-171.2	-159.3	0	0	110.2	C420 F431 Y433	M392-C420 PolarHBondContact O-N 3.08Å; M392-F431 HydrophobicContact CB-CE1 3.5Å; M392-F431 VanDerWaalsContact CB-CE1 3.5Å; M392-F431 HydrophobicContact CB-CZ 3.64Å; M392-F431 HydrophobicContact CG-CE1 4.26Å; M392-F431 HydrophobicContact SD-CE1 4Å; M392-Y433 HydrophobicContact CE-CD2 3.53Å; M392-Y433 HydrophobicContact CE-CE2 3.74Å; M392-Y433 HydrophobicContact CE-CG 4.26Å; M392-Y433 HydrophobicContact SD-CD2 3.8Å; M392-Y433 HydrophobicContact SD-CG 4.03Å
393	R	77.6	Confident	82.5	Confident	205 Å²	205	55.1 Å²	55.1	77%	0.774	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-72.8	147.9	172	-61.5	-178.2	-175.4	173.8	2.2	109.1	S391 G395	S391-R393 PolarHBondContact O-N 3.35Å; R393-G395 PolarHBondContact O-N 3.32Å
394	A	76.8	Confident	81.9	Confident	40 Å²	40	56.3 Å²	56.3	33%	0.331	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-69.7	127	170.2	0	0	0	0	0	109.6	G444	A394-G444 VanDerWaalsContact CA-O 3.31Å; A394-G444 WeakPolarHBondContact CA-O 3.35Å
395	G	73.3	Confident	81.5	Confident	46 Å²	46	60.1 Å²	60.1	47%	0.474	34%	0.341	S	S	.	.			trans	-155.7	-10.4	-178.4	0	0	0	0	0	116.6	R393 S443 G444	R393-G395 PolarHBondContact O-N 3.32Å; G395-S443 VanDerWaalsContact CA-OG 3.23Å; G395-S443 WeakPolarHBondContact CA-OG 3.3Å; G395-G444 PolarHBondContact N-O 2.97Å; G395-G444 VanDerWaalsContact N-O 3.16Å
396	Y	80.9	Confident	81.1	Confident	57 Å²	57	58.9 Å²	58.9	22%	0.224	33%	0.33	C	S	.	.			trans	-96.3	141.3	162	-175.3	-102.5	0	0	0	110.5	E398 S443 R465	Y396-E398 HydrophobicContact CD1-CG 4.1Å; Y396-E398 WeakPolarHBondContact CD1-OE1 3.27Å; Y396-E398 HydrophobicContact CE1-CG 4.41Å; Y396-S443 WeakPolarHBondContact CB-O 3.32Å; Y396-S443 PolarHBondContact N-O 3.21Å; Y396-R465 HydrophobicContact CE1-CG 4.4Å
397	D	83.4	Confident	80.7	Confident	80 Å²	80	64 Å²	64	43%	0.428	35%	0.351	S	S	.	.			trans	-96.3	104.6	170.3	-177.3	8.8	0	0	0	110.1	S399 L400	D397-S399 PolarHBondContact O-N 2.99Å; D397-S399 VanDerWaalsContact O-N 3.1Å; D397-S399 WeakPolarHBondContact OD1-CB 3.21Å; D397-S399 PolarHBondContact OD1-N 3.22Å; D397-S399 PolarHBondContact OD1-OG 3.06Å; D397-S399 VanDerWaalsContact OD1-OG 3.14Å; D397-S399 PolarHBondContact OD2-OG 3.37Å; D397-L400 HydrophobicContact CB-CD1 4.16Å; D397-L400 HydrophobicContact CB-CG 4.24Å; D397-L400 PolarHBondContact O-N 3.03Å
398	E	84.1	Confident	80.4	Confident	3 Å²	3	67.7 Å²	67.7	1%	0.014	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-61.3	-14.3	175.1	-64.8	-70	158.1	0	0	112.8	Y396 L400 Y401 A445 V447 Y463 G464 R465	Y396-E398 HydrophobicContact CD1-CG 4.1Å; Y396-E398 WeakPolarHBondContact CD1-OE1 3.27Å; Y396-E398 HydrophobicContact CE1-CG 4.41Å; E398-L400 PolarHBondContact O-N 3.43Å; E398-Y401 PolarHBondContact O-N 3Å; E398-A445 HydrophobicContact CG-CB 3.54Å; E398-V447 HydrophobicContact CB-CG1 4.34Å; E398-V447 HydrophobicContact CG-CG1 3.97Å; E398-Y463 HydrophobicContact CB-CD2 4.26Å; E398-Y463 HydrophobicContact CB-CE2 3.77Å; E398-G464 WeakPolarHBondContact OE2-CA 3.45Å; E398-R465 IonicContact OE1-CZ 2.68Å; E398-R465 IonicContact OE1-NE 3.16Å; E398-R465 PolarHBondContact OE1-NE 3.25Å; E398-R465 IonicContact OE1-NH2 2.69Å; E398-R465 PolarHBondContact OE1-NH2 3.36Å; E398-R465 WeakPolarHBondContact OE2-CG 3.42Å; E398-R465 PolarHBondContact OE2-N 2.98Å; E398-R465 IonicContact OE2-NE 3.11Å
399	S	80	Confident	80.2	Confident	12 Å²	12	70.4 Å²	70.4	8%	0.084	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-63.3	-27.1	171.5	96.9	0	0	0	0	112.8	D397 G404	D397-S399 PolarHBondContact O-N 2.99Å; D397-S399 VanDerWaalsContact O-N 3.1Å; D397-S399 WeakPolarHBondContact OD1-CB 3.21Å; D397-S399 PolarHBondContact OD1-N 3.22Å; D397-S399 PolarHBondContact OD1-OG 3.06Å; D397-S399 VanDerWaalsContact OD1-OG 3.14Å; D397-S399 PolarHBondContact OD2-OG 3.37Å; S399-G404 VanDerWaalsContact O-CA 3.32Å; S399-G404 WeakPolarHBondContact O-CA 3.19Å
400	L	81	Confident	80	Confident	111 Å²	111	67.4 Å²	67.4	58%	0.581	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-88.6	-11.7	-176.1	-61.4	176.9	0	0	0	113.8	D397 E398 G404	D397-L400 HydrophobicContact CB-CD1 4.16Å; D397-L400 HydrophobicContact CB-CG 4.24Å; D397-L400 PolarHBondContact O-N 3.03Å; E398-L400 PolarHBondContact O-N 3.43Å; L400-G404 PolarHBondContact O-N 2.77Å
401	Y	81.7	Confident	79.8	Confident	24 Å²	24	68 Å²	68	9%	0.094	39%	0.385	C	S	.	.	H	α-helix	trans	-62	142.1	-179.4	-170.5	-117.1	0	0	0	111.4	E398 G404 T405 F406 R465 L483 E484	E398-Y401 PolarHBondContact O-N 3Å; Y401-G404 PolarHBondContact O-N 3.46Å; Y401-T405 PolarHBondContact O-N 2.9Å; Y401-F406 HydrophobicContact CD1-CD2 4.29Å; Y401-F406 AromaticContact CD1-CE2 3.93Å; Y401-F406 HydrophobicContact CD1-CE2 3.93Å; Y401-R465 HydrophobicContact CD1-CG 4.22Å; Y401-R465 HydrophobicContact CD2-CG 3.63Å; Y401-R465 HydrophobicContact CE1-CG 4.26Å; Y401-R465 HydrophobicContact CE2-CG 3.66Å; Y401-R465 HydrophobicContact CG-CG 3.93Å; Y401-L483 HydrophobicContact CE1-CB 4.17Å; Y401-L483 PolarHBondContact OH-O 3.25Å; Y401-E484 WeakPolarHBondContact OH-CA 3.24Å; Y401-E484 WeakPolarHBondContact OH-CB 3.13Å; Y401-E484 PolarHBondContact OH-N 3.2Å; Y401-E484 PolarHBondContact OH-OE2 3.02Å
402	L	82.7	Confident	79.7	Confident	64 Å²	64	74 Å²	74	34%	0.335	42%	0.415	S	S	.	.	H	α-helix	trans	48.1	61.4	-173.3	-67.4	168.9	0	0	0	112.9	G404 T405 F406 L474 L483	L402-G404 PolarHBondContact O-N 3.01Å; L402-G404 VanDerWaalsContact O-N 3.08Å; L402-T405 WeakPolarHBondContact O-CB 3.34Å; L402-T405 PolarHBondContact O-N 3.18Å; L402-T405 VanDerWaalsContact O-N 3.11Å; L402-T405 PolarHBondContact O-OG1 3.03Å; L402-F406 HydrophobicContact CD1-CE2 4.23Å; L402-L474 HydrophobicContact CD1-CD1 3.6Å; L402-L483 HydrophobicContact CD1-CD1 4.48Å
403	N	78.3	Confident	79.9	Confident	177 Å²	177	71.5 Å²	71.5	95%	0.947	40%	0.403	S	S	*	.	H	α-helix	trans	50.2	34.2	178.6	-74.3	-5.7	0	0	0	114.6
404	G	75.8	Confident	80.1	Confident	25 Å²	25	70.3 Å²	70.3	26%	0.258	40%	0.403	S	S	.	.	H	α-helix	trans	90	12.6	177.3	0	0	0	0	0	115.8	S399 L400 Y401 L402 F406 K407	S399-G404 VanDerWaalsContact O-CA 3.32Å; S399-G404 WeakPolarHBondContact O-CA 3.19Å; L400-G404 PolarHBondContact O-N 2.77Å; Y401-G404 PolarHBondContact O-N 3.46Å; L402-G404 PolarHBondContact O-N 3.01Å; L402-G404 VanDerWaalsContact O-N 3.08Å; G404-F406 PolarHBondContact O-N 3.35Å; G404-F406 VanDerWaalsContact O-N 3.08Å; G404-K407 WeakPolarHBondContact O-CB 3.24Å; G404-K407 PolarHBondContact O-N 2.98Å; G404-K407 VanDerWaalsContact O-N 3.13Å
405	T	81.4	Confident	80.4	Confident	82 Å²	82	68.4 Å²	68.4	50%	0.503	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-31.7	-175.7	-63.6	0	0	0	0	113.3	Y401 L402	Y401-T405 PolarHBondContact O-N 2.9Å; L402-T405 WeakPolarHBondContact O-CB 3.34Å; L402-T405 PolarHBondContact O-N 3.18Å; L402-T405 VanDerWaalsContact O-N 3.11Å; L402-T405 PolarHBondContact O-OG1 3.03Å
406	F	82.7	Confident	80.5	Confident	19 Å²	19	68.1 Å²	68.1	8%	0.083	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	5.8	-175.4	-60.5	-68.3	0	0	0	115.1	Y401 L402 G404 A408 L409 A410 Y463 L467 L483	Y401-F406 HydrophobicContact CD1-CD2 4.29Å; Y401-F406 AromaticContact CD1-CE2 3.93Å; Y401-F406 HydrophobicContact CD1-CE2 3.93Å; L402-F406 HydrophobicContact CD1-CE2 4.23Å; G404-F406 PolarHBondContact O-N 3.35Å; G404-F406 VanDerWaalsContact O-N 3.08Å; F406-A408 PolarHBondContact O-N 3.13Å; F406-A408 VanDerWaalsContact O-N 3.09Å; F406-L409 PolarHBondContact O-N 3.26Å; F406-A410 PolarHBondContact O-N 3.26Å; F406-Y463 HydrophobicContact CB-CD2 3.89Å; F406-Y463 HydrophobicContact CB-CG 4.4Å; F406-Y463 HydrophobicContact CG-CD2 4.39Å; F406-L467 HydrophobicContact CE1-CD2 4.17Å; F406-L467 HydrophobicContact CZ-CD2 4.28Å; F406-L483 HydrophobicContact CE2-CD1 4.1Å; F406-L483 HydrophobicContact CZ-CD1 3.68Å
407	K	81.2	Confident	80.2	Confident	141 Å²	141	73.5 Å²	73.5	61%	0.613	41%	0.413	S	S	*	.	H	α-helix	trans	-55.1	-33.7	-172.7	-168.2	173.2	-176.4	176.5	0	114.4	G404 A411	G404-K407 WeakPolarHBondContact O-CB 3.24Å; G404-K407 PolarHBondContact O-N 2.98Å; G404-K407 VanDerWaalsContact O-N 3.13Å; K407-A411 PolarHBondContact O-N 3.19Å
408	A	78.8	Confident	80.1	Confident	78 Å²	78	72.3 Å²	72.3	65%	0.645	41%	0.406	S	S	*	.	H	α-helix	trans	-74.4	-30.1	177.9	0	0	0	0	0	114.2	F406	F406-A408 PolarHBondContact O-N 3.13Å; F406-A408 VanDerWaalsContact O-N 3.09Å
409	L	79.9	Confident	80.1	Confident	81 Å²	81	73.2 Å²	73.2	42%	0.424	42%	0.417	S	S	.	.	H	α-helix	trans	-79.3	-42.4	175.3	-76.5	89	0	0	0	110.7	F406 A411 N412 L462 Y463	F406-L409 PolarHBondContact O-N 3.26Å; L409-A411 VanDerWaalsContact C-N 3.29Å; L409-A411 PolarHBondContact O-N 3.38Å; L409-N412 PolarHBondContact O-N 3.31Å; L409-L462 HydrophobicContact CD2-CG 4.3Å; L409-Y463 HydrophobicContact CB-CD1 3.94Å; L409-Y463 HydrophobicContact CB-CE1 4.47Å; L409-Y463 HydrophobicContact CB-CG 4.14Å
410	A	80.8	Confident	80.4	Confident	14 Å²	14	72.9 Å²	72.9	12%	0.116	41%	0.414	C	S	.	.	H	α-helix	trans	-61.6	-33.9	-178.9	0	0	0	0	0	113.5	F406 N412 D413 Y463	F406-A410 PolarHBondContact O-N 3.26Å; A410-N412 PolarHBondContact O-N 3.37Å; A410-N412 VanDerWaalsContact O-N 3.16Å; A410-D413 PolarHBondContact O-N 3.13Å; A410-Y463 WeakPolarHBondContact CA-OH 3.2Å; A410-Y463 HydrophobicContact CB-CE2 3.7Å
411	A	77.9	Confident	80.5	Confident	82 Å²	82	68.4 Å²	68.4	68%	0.678	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-19	-179.9	0	0	0	0	0	114.7	K407 L409	K407-A411 PolarHBondContact O-N 3.19Å; L409-A411 VanDerWaalsContact C-N 3.29Å; L409-A411 PolarHBondContact O-N 3.38Å
412	N	76.6	Confident	80.6	Confident	144 Å²	144	69.3 Å²	69.3	77%	0.77	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	5	-178	-75.5	-37.8	0	0	0	113.6	L409 A410	L409-N412 PolarHBondContact O-N 3.31Å; A410-N412 PolarHBondContact O-N 3.37Å; A410-N412 VanDerWaalsContact O-N 3.16Å
413	D	82.3	Confident	80.7	Confident	17 Å²	17	66.4 Å²	66.4	9%	0.091	39%	0.388	C	S	.	.			trans	-82.7	120.7	-176.3	-164	-8.7	0	0	0	112.2	A410 C415 A416 V447 S448 Y463	A410-D413 PolarHBondContact O-N 3.13Å; D413-C415 PolarHBondContact O-N 3.3Å; D413-C415 VanDerWaalsContact OD1-CB 3.25Å; D413-C415 WeakPolarHBondContact OD1-CB 3.04Å; D413-C415 PolarHBondContact OD1-N 3.34Å; D413-C415 PolarHBondContact OD1-SG 3.25Å; D413-C415 VanDerWaalsContact OD1-SG 3.37Å; D413-A416 WeakPolarHBondContact O-CB 2.82Å; D413-A416 PolarHBondContact O-N 3.47Å; D413-V447 WeakPolarHBondContact OD2-CA 3.17Å; D413-S448 PolarHBondContact OD1-OG 3.45Å; D413-S448 PolarHBondContact OD2-N 3.06Å; D413-Y463 HydrophobicContact CB-CE1 4.06Å; D413-Y463 WeakPolarHBondContact CB-OH 3.24Å; D413-Y463 VanDerWaalsContact OD2-CE1 3.29Å; D413-Y463 WeakPolarHBondContact OD2-CE1 3.42Å; D413-Y463 PolarHBondContact OD2-OH 3.38Å
414	K	82.2	Confident	81	Confident	179 Å²	179	58.5 Å²	58.5	78%	0.778	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-17.9	175.4	-64.4	-172.9	178.3	-174	0	113.3	A416	K414-A416 VanDerWaalsContact C-N 3.33Å
415	C	84.4	Confident	81	Confident	0 Å²	0	60 Å²	60	0%	0	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-18.4	178.8	-57.1	0	0	0	0	112.4	D413 L418 C429 C446	D413-C415 PolarHBondContact O-N 3.3Å; D413-C415 VanDerWaalsContact OD1-CB 3.25Å; D413-C415 WeakPolarHBondContact OD1-CB 3.04Å; D413-C415 PolarHBondContact OD1-N 3.34Å; D413-C415 PolarHBondContact OD1-SG 3.25Å; D413-C415 VanDerWaalsContact OD1-SG 3.37Å; C415-L418 WeakPolarHBondContact O-CB 3.47Å; C415-L418 PolarHBondContact O-N 3.05Å; C415-C429 VanDerWaalsContact CA-SG 3.57Å; C415-C429 HydrophobicContact CB-CB 3.82Å; C415-C429 WeakPolarHBondContact CB-SG 3.45Å; C415-C429 WeakPolarHBondContact SG-CA 3.35Å; C415-C429 WeakPolarHBondContact SG-CB 3.36Å; C415-C429 CovalentContact SG-SG 2.03Å; C415-C429 PolarHBondContact SG-SG 3.1Å; C415-C446 CarbonylContact C-O 3.25Å; C415-C446 VanDerWaalsContact O-CB 3.23Å; C415-C446 WeakPolarHBondContact O-CB 3.48Å; C415-C446 PolarHBondContact O-SG 2.9Å; C415-C446 VanDerWaalsContact O-SG 3.34Å
416	A	75.3	Confident	80.9	Confident	41 Å²	41	60 Å²	60	34%	0.339	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	148.5	179.8	0	0	0	0	0	112	D413 K414 L418	D413-A416 WeakPolarHBondContact O-CB 2.82Å; D413-A416 PolarHBondContact O-N 3.47Å; K414-A416 VanDerWaalsContact C-N 3.33Å; A416-L418 PolarHBondContact O-N 3.06Å
417	L	73.6	Confident	80.4	Confident	170 Å²	170	61.8 Å²	61.8	89%	0.89	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	-10.7	-175.6	-51	169.3	0	0	0	116.6
418	L	82.5	Confident	80.4	Confident	54 Å²	54	57.9 Å²	57.9	28%	0.283	34%	0.34	S	S	.	.			trans	-74.9	128.4	176.4	-60.4	177.9	0	0	0	111.6	C415 A416 A422 C423 E426 C446	C415-L418 WeakPolarHBondContact O-CB 3.47Å; C415-L418 PolarHBondContact O-N 3.05Å; A416-L418 PolarHBondContact O-N 3.06Å; L418-A422 HydrophobicContact CB-CB 4.29Å; L418-A422 HydrophobicContact CD2-CB 4.1Å; L418-C423 HydrophobicContact CB-CB 4.47Å; L418-E426 HydrophobicContact CD1-CG 4.47Å; L418-C446 HydrophobicContact CB-CB 3.91Å; L418-C446 WeakPolarHBondContact O-CB 3.39Å
419	G	82.4	Confident	80.7	Confident	23 Å²	23	54.3 Å²	54.3	24%	0.237	31%	0.31	C	S	.	.			trans	-68.3	164.5	163.7	0	0	0	0	0	111.5	D421 A422 C423	G419-D421 PolarHBondContact O-N 3.26Å; G419-A422 PolarHBondContact O-N 3.08Å; G419-C423 WeakPolarHBondContact O-CB 3.37Å; G419-C423 PolarHBondContact O-N 3.1Å
420	C	86	Confident	81	Confident	4 Å²	4	50.5 Å²	50.5	3%	0.027	29%	0.29	C	S	.	.	H	α-helix	trans	-55.3	-47.9	-170.6	-175	0	0	0	0	113.7	M392 A422 C423 S424 F431 C494	M392-C420 PolarHBondContact O-N 3.08Å; C420-A422 VanDerWaalsContact C-N 3.33Å; C420-A422 PolarHBondContact O-N 3.26Å; C420-C423 WeakPolarHBondContact O-CA 3.45Å; C420-C423 WeakPolarHBondContact O-CB 3.38Å; C420-C423 PolarHBondContact O-N 3.26Å; C420-C423 VanDerWaalsContact O-N 3.11Å; C420-S424 PolarHBondContact O-N 3.02Å; C420-F431 HydrophobicContact CB-CB 4.29Å; C420-F431 HydrophobicContact CB-CD1 3.87Å; C420-F431 HydrophobicContact CB-CD2 3.67Å; C420-F431 HydrophobicContact CB-CE1 4.06Å; C420-F431 HydrophobicContact CB-CE2 3.87Å; C420-F431 HydrophobicContact CB-CG 3.66Å; C420-F431 HydrophobicContact CB-CZ 4.06Å; C420-C494 VanDerWaalsContact CA-SG 3.59Å; C420-C494 HydrophobicContact CB-CB 4.18Å; C420-C494 WeakPolarHBondContact CB-SG 3.35Å; C420-C494 PolarHBondContact O-SG 3.37Å; C420-C494 VanDerWaalsContact SG-CA 3.56Å; C420-C494 WeakPolarHBondContact SG-CB 3.27Å; C420-C494 CovalentContact SG-SG 2.04Å; C420-C494 PolarHBondContact SG-SG 3.03Å
421	D	84.4	Confident	81.4	Confident	17 Å²	17	50 Å²	50	9%	0.091	29%	0.285	C	S	.	.	H	α-helix	trans	-59.4	-45.4	-176.7	-177	59	0	0	0	111.2	A388 G419 S424 Y425 C494 R565	A388-D421 HydrophobicContact CB-CB 4.46Å; G419-D421 PolarHBondContact O-N 3.26Å; D421-S424 WeakPolarHBondContact O-CB 3.39Å; D421-S424 PolarHBondContact O-N 2.97Å; D421-S424 VanDerWaalsContact O-N 3.12Å; D421-S424 PolarHBondContact O-OG 2.82Å; D421-Y425 WeakPolarHBondContact O-CD2 3.41Å; D421-Y425 VanDerWaalsContact O-CE2 3.26Å; D421-Y425 WeakPolarHBondContact O-CE2 3.26Å; D421-C494 PolarHBondContact N-SG 2.86Å; D421-C494 VanDerWaalsContact N-SG 3.39Å; D421-R565 IonicContact OD1-NH1 2.64Å; D421-R565 PolarHBondContact OD1-NH1 3.45Å
422	A	83.1	Confident	82	Confident	44 Å²	44	46.1 Å²	46.1	36%	0.364	25%	0.253	S	S	.	.	H	α-helix	trans	-61.2	-44.2	174.6	0	0	0	0	0	112.2	L418 G419 C420 S424 Y425	L418-A422 HydrophobicContact CB-CB 4.29Å; L418-A422 HydrophobicContact CD2-CB 4.1Å; G419-A422 PolarHBondContact O-N 3.08Å; C420-A422 VanDerWaalsContact C-N 3.33Å; C420-A422 PolarHBondContact O-N 3.26Å; A422-S424 PolarHBondContact O-N 3.28Å; A422-Y425 PolarHBondContact O-N 3.48Å
423	C	85.9	Confident	82.5	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.014	22%	0.22	C	C	.	.	H	α-helix	trans	-53.4	-38	173.4	-160.6	0	0	0	0	112.1	L418 G419 C420 Y425 E426 G430 F431 C446	L418-C423 HydrophobicContact CB-CB 4.47Å; G419-C423 WeakPolarHBondContact O-CB 3.37Å; G419-C423 PolarHBondContact O-N 3.1Å; C420-C423 WeakPolarHBondContact O-CA 3.45Å; C420-C423 WeakPolarHBondContact O-CB 3.38Å; C420-C423 PolarHBondContact O-N 3.26Å; C420-C423 VanDerWaalsContact O-N 3.11Å; C423-Y425 VanDerWaalsContact C-N 3.28Å; C423-Y425 PolarHBondContact O-N 3.06Å; C423-E426 PolarHBondContact O-N 3.48Å; C423-G430 PolarHBondContact SG-O 3.1Å; C423-F431 HydrophobicContact CB-CD2 4.41Å; C423-C446 HydrophobicContact CB-CB 3.69Å; C423-C446 WeakPolarHBondContact CB-SG 3.48Å; C423-C446 WeakPolarHBondContact SG-CB 3.1Å; C423-C446 CovalentContact SG-SG 2.02Å; C423-C446 PolarHBondContact SG-SG 3.15Å
424	S	82.8	Confident	82.6	Confident	12 Å²	12	40.5 Å²	40.5	8%	0.084	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-8	-176.5	82.1	0	0	0	0	115.5	C420 D421 A422 R565	C420-S424 PolarHBondContact O-N 3.02Å; D421-S424 WeakPolarHBondContact O-CB 3.39Å; D421-S424 PolarHBondContact O-N 2.97Å; D421-S424 VanDerWaalsContact O-N 3.12Å; D421-S424 PolarHBondContact O-OG 2.82Å; A422-S424 PolarHBondContact O-N 3.28Å; S424-R565 PolarHBondContact O-NH2 2.98Å; S424-R565 VanDerWaalsContact O-NH2 3.16Å; S424-R565 PolarHBondContact OG-NH1 2.53Å; S424-R565 PolarHBondContact OG-NH2 3.43Å
425	Y	77.6	Confident	82.3	Confident	56 Å²	56	35.6 Å²	35.6	22%	0.22	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-24.4	170.2	-66.1	-92.5	0	0	0	112	D421 A422 C423 S560 T561 R565	D421-Y425 WeakPolarHBondContact O-CD2 3.41Å; D421-Y425 VanDerWaalsContact O-CE2 3.26Å; D421-Y425 WeakPolarHBondContact O-CE2 3.26Å; A422-Y425 PolarHBondContact O-N 3.48Å; C423-Y425 VanDerWaalsContact C-N 3.28Å; C423-Y425 PolarHBondContact O-N 3.06Å; Y425-S560 WeakPolarHBondContact CE1-O 3.28Å; Y425-T561 HydrophobicContact CD1-CG2 4.43Å; Y425-R565 HydrophobicContact CE1-CG 3.83Å; Y425-R565 WeakPolarHBondContact OH-CG 3.47Å; Y425-R565 PolarHBondContact OH-N 3.37Å; Y425-R565 VanDerWaalsContact OH-N 3.15Å
426	E	77.8	Confident	81.6	Confident	83 Å²	83	43.7 Å²	43.7	39%	0.388	25%	0.246	S	C	.	.			trans	-87	121.8	-174.6	-77.5	-60.2	157.9	0	0	112.5	L418 C423 I428 C429	L418-E426 HydrophobicContact CD1-CG 4.47Å; C423-E426 PolarHBondContact O-N 3.48Å; E426-I428 PolarHBondContact O-N 2.9Å; E426-I428 VanDerWaalsContact O-N 3.12Å; E426-C429 HydrophobicContact CB-CB 3.83Å; E426-C429 VanDerWaalsContact CB-SG 3.55Å; E426-C429 PolarHBondContact O-N 2.76Å
427	S	72.7	Confident	80.9	Confident	56 Å²	56	43.4 Å²	43.4	39%	0.392	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-13.5	-176.6	62.9	0	0	0	0	115.2	Y491	S427-Y491 PolarHBondContact O-OH 3.39Å
428	I	80.3	Confident	80.1	Confident	59 Å²	59	44.4 Å²	44.4	30%	0.303	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-7.6	-179.3	61.2	172	0	0	0	113.3	E426 S448 V449	E426-I428 PolarHBondContact O-N 2.9Å; E426-I428 VanDerWaalsContact O-N 3.12Å; I428-S448 WeakPolarHBondContact O-CA 3.14Å; I428-V449 WeakPolarHBondContact O-CG2 3.45Å; I428-V449 PolarHBondContact O-N 3.01Å
429	C	85.9	Confident	78.9	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.014	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	151.6	-174.7	-59.2	0	0	0	0	111.9	C415 E426 Y491	C415-C429 VanDerWaalsContact CA-SG 3.57Å; C415-C429 HydrophobicContact CB-CB 3.82Å; C415-C429 WeakPolarHBondContact CB-SG 3.45Å; C415-C429 WeakPolarHBondContact SG-CA 3.35Å; C415-C429 WeakPolarHBondContact SG-CB 3.36Å; C415-C429 CovalentContact SG-SG 2.03Å; C415-C429 PolarHBondContact SG-SG 3.1Å; E426-C429 HydrophobicContact CB-CB 3.83Å; E426-C429 VanDerWaalsContact CB-SG 3.55Å; E426-C429 PolarHBondContact O-N 2.76Å; C429-Y491 WeakPolarHBondContact O-CD2 3.21Å
430	G	86.4	Confident	77.5	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.01	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	154.9	168.4	0	0	0	0	0	110.4	C423 V447 D490	C423-G430 PolarHBondContact SG-O 3.1Å; G430-V447 PolarHBondContact N-O 3.4Å; G430-V447 PolarHBondContact O-N 3.27Å; G430-D490 CarbonylContact C-O 3.15Å; G430-D490 VanDerWaalsContact CA-O 3.28Å; G430-D490 WeakPolarHBondContact CA-O 3.36Å
431	F	89.3	Confident	75.9	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.018	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	114.7	-176.7	-162.1	-102.1	0	0	0	109.9	M392 C420 C423 Y433 G444 C446 F489 D490	M392-F431 HydrophobicContact CB-CE1 3.5Å; M392-F431 VanDerWaalsContact CB-CE1 3.5Å; M392-F431 HydrophobicContact CB-CZ 3.64Å; M392-F431 HydrophobicContact CG-CE1 4.26Å; M392-F431 HydrophobicContact SD-CE1 4Å; C420-F431 HydrophobicContact CB-CB 4.29Å; C420-F431 HydrophobicContact CB-CD1 3.87Å; C420-F431 HydrophobicContact CB-CD2 3.67Å; C420-F431 HydrophobicContact CB-CE1 4.06Å; C420-F431 HydrophobicContact CB-CE2 3.87Å; C420-F431 HydrophobicContact CB-CG 3.66Å; C420-F431 HydrophobicContact CB-CZ 4.06Å; C423-F431 HydrophobicContact CB-CD2 4.41Å; F431-Y433 HydrophobicContact CD1-CD1 4.05Å; F431-Y433 HydrophobicContact CD1-CG 4.35Å; F431-Y433 HydrophobicContact CE1-CG 4.48Å; F431-G444 VanDerWaalsContact CZ-C 3.48Å; F431-C446 HydrophobicContact CD2-CB 4.07Å; F431-F489 WeakPolarHBondContact O-CA 3.11Å; F431-D490 PolarHBondContact N-O 3.21Å; F431-D490 PolarHBondContact O-N 3.08Å
432	C	89.8	Confident	74.7	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.007	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	128.2	174.2	-178.2	0	0	0	0	109.9	G444 A445 V447 C466 F489	C432-G444 CarbonylContact O-C 3.6Å; C432-G444 WeakPolarHBondContact O-CA 3.41Å; C432-A445 PolarHBondContact N-O 3.47Å; C432-A445 PolarHBondContact O-N 3.39Å; C432-V447 HydrophobicContact CB-CG2 3.89Å; C432-C466 WeakPolarHBondContact CA-SG 3.4Å; C432-C466 HydrophobicContact CB-CB 3.76Å; C432-C466 WeakPolarHBondContact CB-SG 3.27Å; C432-C466 WeakPolarHBondContact SG-CB 3.45Å; C432-C466 PolarHBondContact SG-N 2.75Å; C432-C466 CovalentContact SG-SG 2.03Å; C432-C466 PolarHBondContact SG-SG 3.12Å; C432-F489 HydrophobicContact CB-CD2 4.32Å
433	Y	87.8	Confident	74	Confident	18 Å²	18	55.7 Å²	55.7	7%	0.071	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	158.9	-178.6	69.1	-75.3	0	0	0	112.4	M392 F431 P435 A487 A488 D490 T495	M392-Y433 HydrophobicContact CE-CD2 3.53Å; M392-Y433 HydrophobicContact CE-CE2 3.74Å; M392-Y433 HydrophobicContact CE-CG 4.26Å; M392-Y433 HydrophobicContact SD-CD2 3.8Å; M392-Y433 HydrophobicContact SD-CG 4.03Å; F431-Y433 HydrophobicContact CD1-CD1 4.05Å; F431-Y433 HydrophobicContact CD1-CG 4.35Å; F431-Y433 HydrophobicContact CE1-CG 4.48Å; Y433-P435 HydrophobicContact CD2-CB 4.49Å; Y433-P435 HydrophobicContact CD2-CG 4.15Å; Y433-P435 HydrophobicContact CE2-CB 4.01Å; Y433-P435 HydrophobicContact CE2-CG 3.71Å; Y433-P435 WeakPolarHBondContact O-CD 3.4Å; Y433-A487 CarbonylContact O-C 3.54Å; Y433-A487 WeakPolarHBondContact O-CA 3.28Å; Y433-A488 HydrophobicContact CD1-CB 4.2Å; Y433-A488 VanDerWaalsContact CD1-O 3.29Å; Y433-A488 WeakPolarHBondContact CD1-O 3.47Å; Y433-A488 HydrophobicContact CE1-CB 3.62Å; Y433-A488 HydrophobicContact CE2-CB 4.15Å; Y433-A488 PolarHBondContact N-O 2.95Å; Y433-A488 PolarHBondContact O-N 3.42Å; Y433-D490 HydrophobicContact CE1-CB 4.44Å; Y433-T495 PolarHBondContact OH-OG1 3.1Å; Y433-T495 VanDerWaalsContact OH-OG1 3.1Å
434	L	85.3	Confident	73.9	Confident	24 Å²	24	55.6 Å²	55.6	13%	0.126	31%	0.308	C	S	.	.			trans	-94.3	110.2	168.7	-74.3	177.4	0	0	0	108.8	Q436 S437 R465 E484 A487	L434-Q436 PolarHBondContact O-N 2.97Å; L434-S437 PolarHBondContact O-N 3.07Å; L434-S437 PolarHBondContact O-OG 3.3Å; L434-R465 VanDerWaalsContact CD1-NH1 3.29Å; L434-E484 HydrophobicContact CD2-CG 3.68Å; L434-A487 HydrophobicContact CD2-CB 4.28Å
435	P	75.3	Confident	74.1	Confident	77 Å²	77	55.4 Å²	55.4	50%	0.5	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-14.3	-179.5	-20.6	33.7	0	0	0	114.2	Y433 S486 A488	Y433-P435 HydrophobicContact CD2-CB 4.49Å; Y433-P435 HydrophobicContact CD2-CG 4.15Å; Y433-P435 HydrophobicContact CE2-CB 4.01Å; Y433-P435 HydrophobicContact CE2-CG 3.71Å; Y433-P435 WeakPolarHBondContact O-CD 3.4Å; P435-S486 WeakPolarHBondContact CD-O 3.45Å; P435-A488 HydrophobicContact CG-CB 3.59Å
436	Q	68.7	Low	74.7	Confident	169 Å²	169	53 Å²	53	79%	0.79	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	-1.6	-175.7	-60.8	-173.2	-1.8	0	0	113.9	L434 Q438	L434-Q436 PolarHBondContact O-N 2.97Å; Q436-Q438 PolarHBondContact O-N 3.39Å
437	S	62.3	Low	75.3	Confident	35 Å²	35	49 Å²	49	25%	0.245	28%	0.28	C	S	.	.			trans	-76.8	112.7	-177.6	72.8	0	0	0	0	111.4	L434 D439	L434-S437 PolarHBondContact O-N 3.07Å; L434-S437 PolarHBondContact O-OG 3.3Å; S437-D439 VanDerWaalsContact C-N 3.33Å
438	Q	56.7	Low	76	Confident	191 Å²	191	47.3 Å²	47.3	89%	0.893	27%	0.268	S	S	*	.			trans	-76.3	-21.2	172.5	-69.1	-175.8	-25.9	0	0	112.8	Q436 S440	Q436-Q438 PolarHBondContact O-N 3.39Å; Q438-S440 PolarHBondContact O-N 2.88Å
439	D	56.9	Low	76.3	Confident	98 Å²	98	44.6 Å²	44.6	52%	0.524	25%	0.254	S	S	.	.			trans	-75.5	124.2	-179.6	-77.5	-34.2	0	0	0	112.4	S437 A441 Q442	S437-D439 VanDerWaalsContact C-N 3.33Å; D439-A441 PolarHBondContact O-N 3.39Å; D439-Q442 HydrophobicContact CB-CB 4.24Å; D439-Q442 HydrophobicContact CB-CG 4.06Å; D439-Q442 PolarHBondContact O-N 3.13Å
440	S	52.8	Low	76.1	Confident	94 Å²	94	46.9 Å²	46.9	66%	0.657	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-52.7	-29.6	170.1	-59.4	0	0	0	0	112.6	Q438 S443	Q438-S440 PolarHBondContact O-N 2.88Å; S440-S443 WeakPolarHBondContact O-CB 3.5Å; S440-S443 PolarHBondContact O-OG 3.42Å
441	A	52.3	Low	75.6	Confident	77 Å²	77	51 Å²	51	64%	0.636	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-83	-7.1	-179.7	0	0	0	0	0	114.8	D439	D439-A441 PolarHBondContact O-N 3.39Å
442	Q	58.7	Low	74.7	Confident	82 Å²	82	57.7 Å²	57.7	38%	0.383	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-108.1	5	173.9	-65.3	-169.6	9	0	0	113.3	D439 R465	D439-Q442 HydrophobicContact CB-CB 4.24Å; D439-Q442 HydrophobicContact CB-CG 4.06Å; D439-Q442 PolarHBondContact O-N 3.13Å; Q442-R465 PolarHBondContact O-NH1 3.4Å
443	S	68.7	Low	73.2	Confident	28 Å²	28	61.1 Å²	61.1	20%	0.196	35%	0.346	C	S	.	.			trans	-51.2	157.4	-179.9	50.7	0	0	0	0	113.4	G395 Y396 S440	G395-S443 VanDerWaalsContact CA-OG 3.23Å; G395-S443 WeakPolarHBondContact CA-OG 3.3Å; Y396-S443 WeakPolarHBondContact CB-O 3.32Å; Y396-S443 PolarHBondContact N-O 3.21Å; S440-S443 WeakPolarHBondContact O-CB 3.5Å; S440-S443 PolarHBondContact O-OG 3.42Å
444	G	83.2	Confident	71.8	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.01	36%	0.359	C	S	.	.			trans	-61.4	173.3	-170.4	0	0	0	0	0	115.7	A394 G395 F431 C432	A394-G444 VanDerWaalsContact CA-O 3.31Å; A394-G444 WeakPolarHBondContact CA-O 3.35Å; G395-G444 PolarHBondContact N-O 2.97Å; G395-G444 VanDerWaalsContact N-O 3.16Å; F431-G444 VanDerWaalsContact CZ-C 3.48Å; C432-G444 CarbonylContact O-C 3.6Å; C432-G444 WeakPolarHBondContact O-CA 3.41Å
445	A	88.3	Confident	70.6	Confident	8 Å²	8	66.2 Å²	66.2	7%	0.066	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	139.5	177.6	0	0	0	0	0	110.2	E398 C432 V447	E398-A445 HydrophobicContact CG-CB 3.54Å; C432-A445 PolarHBondContact N-O 3.47Å; C432-A445 PolarHBondContact O-N 3.39Å; A445-V447 HydrophobicContact CB-CG1 4.48Å
446	C	90.2	Very high	70.2	Confident	4 Å²	4	65 Å²	65	3%	0.027	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	129.1	167.8	-176.4	0	0	0	0	109.4	C415 L418 C423 F431	C415-C446 CarbonylContact C-O 3.25Å; C415-C446 VanDerWaalsContact O-CB 3.23Å; C415-C446 WeakPolarHBondContact O-CB 3.48Å; C415-C446 PolarHBondContact O-SG 2.9Å; C415-C446 VanDerWaalsContact O-SG 3.34Å; L418-C446 HydrophobicContact CB-CB 3.91Å; L418-C446 WeakPolarHBondContact O-CB 3.39Å; C423-C446 HydrophobicContact CB-CB 3.69Å; C423-C446 WeakPolarHBondContact CB-SG 3.48Å; C423-C446 WeakPolarHBondContact SG-CB 3.1Å; C423-C446 CovalentContact SG-SG 2.02Å; C423-C446 PolarHBondContact SG-SG 3.15Å; F431-C446 HydrophobicContact CD2-CB 4.07Å
447	V	89	Confident	70.5	Confident	1 Å²	1	59 Å²	59	1%	0.006	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	153.5	-176.1	-68	0	0	0	0	110.6	E398 D413 G430 C432 A445 A461 Y463 F489	E398-V447 HydrophobicContact CB-CG1 4.34Å; E398-V447 HydrophobicContact CG-CG1 3.97Å; D413-V447 WeakPolarHBondContact OD2-CA 3.17Å; G430-V447 PolarHBondContact N-O 3.4Å; G430-V447 PolarHBondContact O-N 3.27Å; C432-V447 HydrophobicContact CB-CG2 3.89Å; A445-V447 HydrophobicContact CB-CG1 4.48Å; V447-A461 HydrophobicContact CG2-CB 3.52Å; V447-Y463 HydrophobicContact CB-CE1 4.5Å; V447-Y463 HydrophobicContact CG1-CE1 4.46Å; V447-Y463 HydrophobicContact CG1-CE2 4.07Å; V447-F489 HydrophobicContact CG2-CE2 4.05Å
448	S	88.3	Confident	71.1	Confident	20 Å²	20	60 Å²	60	14%	0.14	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	139.9	174.1	-80.4	0	0	0	0	111.4	D413 I428 L462	D413-S448 PolarHBondContact OD1-OG 3.45Å; D413-S448 PolarHBondContact OD2-N 3.06Å; I428-S448 WeakPolarHBondContact O-CA 3.14Å; S448-L462 VanDerWaalsContact O-CB 3.25Å; S448-L462 WeakPolarHBondContact O-CB 3.18Å; S448-L462 PolarHBondContact O-N 3.09Å
449	V	85.7	Confident	72.1	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.012	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	146.2	176.5	-174	0	0	0	0	110	I428 Q451 I456 N457 F489 Y491	I428-V449 WeakPolarHBondContact O-CG2 3.45Å; I428-V449 PolarHBondContact O-N 3.01Å; V449-Q451 PolarHBondContact O-N 2.99Å; V449-I456 HydrophobicContact CB-CG2 4.11Å; V449-I456 HydrophobicContact CG1-CG2 3.5Å; V449-N457 WeakPolarHBondContact CG1-O 3.4Å; V449-F489 HydrophobicContact CB-CZ 4.27Å; V449-F489 HydrophobicContact CG1-CE1 4.1Å; V449-F489 HydrophobicContact CG1-CZ 4.28Å; V449-F489 HydrophobicContact CG2-CE1 4.16Å; V449-F489 HydrophobicContact CG2-CZ 3.83Å; V449-Y491 HydrophobicContact CG2-CD2 3.57Å; V449-Y491 HydrophobicContact CG2-CE2 3.75Å
450	Y	82.2	Confident	73.4	Confident	49 Å²	49	51.6 Å²	51.6	19%	0.192	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	130.3	172.9	-175.5	-95	0	0	0	111.3	K452 N457 S460 L462 L467 L471	Y450-K452 HydrophobicContact CE1-CB 3.74Å; Y450-K452 HydrophobicContact CE1-CD 4.44Å; Y450-N457 HydrophobicContact CD1-CB 4.25Å; Y450-N457 PolarHBondContact O-N 3.39Å; Y450-S460 WeakPolarHBondContact CB-OG 3.32Å; Y450-S460 PolarHBondContact N-O 3.46Å; Y450-L462 HydrophobicContact CD2-CD1 4.47Å; Y450-L467 HydrophobicContact CD2-CD1 4.43Å; Y450-L471 HydrophobicContact CD1-CD1 3.67Å; Y450-L471 HydrophobicContact CD2-CD1 3.86Å; Y450-L471 HydrophobicContact CE1-CD1 3.66Å; Y450-L471 HydrophobicContact CE1-CD2 4.09Å; Y450-L471 HydrophobicContact CE2-CB 4.34Å; Y450-L471 HydrophobicContact CE2-CD1 3.86Å; Y450-L471 HydrophobicContact CE2-CD2 4.43Å; Y450-L471 HydrophobicContact CE2-CG 4.45Å; Y450-L471 HydrophobicContact CG-CD1 3.77Å
451	Q	76.2	Confident	75	Confident	89 Å²	89	47.1 Å²	47.1	42%	0.416	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	126.8	-179.3	-64.1	179.5	12.4	0	0	110.4	V449 I455 I456	V449-Q451 PolarHBondContact O-N 2.99Å; Q451-I455 WeakPolarHBondContact CA-O 3.41Å; Q451-I456 HydrophobicContact CG-CG1 4.18Å
452	K	69.7	Low	76.6	Confident	144 Å²	144	46.6 Å²	46.6	63%	0.626	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.9	120.4	175.4	-172.2	174.3	-175.8	176.1	0	109.6	Y450 G454 I455	Y450-K452 HydrophobicContact CE1-CB 3.74Å; Y450-K452 HydrophobicContact CE1-CD 4.44Å; K452-G454 PolarHBondContact O-N 3.02Å; K452-I455 PolarHBondContact N-O 3.28Å; K452-I455 WeakPolarHBondContact O-CB 3.44Å; K452-I455 PolarHBondContact O-N 2.94Å
453	G	60	Low	77.8	Confident	73 Å²	73	43 Å²	43	75%	0.753	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.5	22.9	-176	0	0	0	0	0	114.6	I455	G453-I455 PolarHBondContact O-N 3.41Å
454	G	57.5	Low	78.6	Confident	34 Å²	34	41.7 Å²	41.7	35%	0.351	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	-2.4	-172.2	0	0	0	0	0	114.6	Q53 K452 I456	Q53-G454 PolarHBondContact NE2-O 3.16Å; K452-G454 PolarHBondContact O-N 3.02Å; G454-I456 PolarHBondContact O-N 3.29Å
455	I	59.8	Low	78.9	Confident	115 Å²	115	41.9 Å²	41.9	59%	0.59	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	114.2	168.9	-54.6	174.7	0	0	0	107.4	Q451 K452 G453	Q451-I455 WeakPolarHBondContact CA-O 3.41Å; K452-I455 PolarHBondContact N-O 3.28Å; K452-I455 WeakPolarHBondContact O-CB 3.44Å; K452-I455 PolarHBondContact O-N 2.94Å; G453-I455 PolarHBondContact O-N 3.41Å
456	I	67.6	Low	78.9	Confident	50 Å²	50	41.5 Å²	41.5	26%	0.256	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	123.5	171.1	-58.2	175.1	0	0	0	107.4	V449 Q451 G454 P458 Y491	V449-I456 HydrophobicContact CB-CG2 4.11Å; V449-I456 HydrophobicContact CG1-CG2 3.5Å; Q451-I456 HydrophobicContact CG-CG1 4.18Å; G454-I456 PolarHBondContact O-N 3.29Å; I456-P458 WeakPolarHBondContact O-CD 3.31Å; I456-Y491 HydrophobicContact CG2-CE2 4.46Å
457	N	73.6	Confident	78.8	Confident	43 Å²	43	41.9 Å²	41.9	23%	0.23	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	100.2	169.8	-176	0.3	0	0	0	109.1	V449 Y450 N459 S460	V449-N457 WeakPolarHBondContact CG1-O 3.4Å; Y450-N457 HydrophobicContact CD1-CB 4.25Å; Y450-N457 PolarHBondContact O-N 3.39Å; N457-N459 PolarHBondContact O-N 3.24Å; N457-N459 WeakPolarHBondContact OD1-CB 3.3Å; N457-N459 PolarHBondContact OD1-N 2.82Å; N457-S460 PolarHBondContact ND2-OG 3.34Å; N457-S460 PolarHBondContact O-N 3.15Å
458	P	75.1	Confident	78.5	Confident	58 Å²	58	43.6 Å²	43.6	38%	0.377	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	-5.1	-175.1	31.5	-38.3	0	0	0	113.5	I456 F489 Y491	I456-P458 WeakPolarHBondContact O-CD 3.31Å; P458-F489 WeakPolarHBondContact O-CD1 3.29Å; P458-Y491 HydrophobicContact CB-CD1 3.56Å; P458-Y491 HydrophobicContact CB-CE1 4.13Å; P458-Y491 HydrophobicContact CB-CG 4.19Å
459	N	79.3	Confident	78	Confident	111 Å²	111	43.3 Å²	43.3	59%	0.594	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105.6	6	-174.7	-56.6	-28.3	0	0	0	113.5	N457 F482	N457-N459 PolarHBondContact O-N 3.24Å; N457-N459 WeakPolarHBondContact OD1-CB 3.3Å; N457-N459 PolarHBondContact OD1-N 2.82Å; N459-F482 WeakPolarHBondContact O-CE1 3.4Å; N459-F482 WeakPolarHBondContact O-CZ 3.46Å
460	S	83.1	Confident	77.5	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	144.4	-178.3	61.1	0	0	0	0	115.2	Y450 N457	Y450-S460 WeakPolarHBondContact CB-OG 3.32Å; Y450-S460 PolarHBondContact N-O 3.46Å; N457-S460 PolarHBondContact ND2-OG 3.34Å; N457-S460 PolarHBondContact O-N 3.15Å
461	A	86.5	Confident	77	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	160.1	171.1	0	0	0	0	0	112.8	V447 Y463 C466 L467 F489	V447-A461 HydrophobicContact CG2-CB 3.52Å; A461-Y463 WeakPolarHBondContact CB-O 3.12Å; A461-C466 HydrophobicContact CB-CB 3.75Å; A461-C466 PolarHBondContact N-O 3.35Å; A461-L467 WeakPolarHBondContact O-CD1 3.11Å; A461-F489 HydrophobicContact CB-CD2 4.05Å; A461-F489 HydrophobicContact CB-CE2 3.66Å; A461-F489 HydrophobicContact CB-CZ 4.32Å
462	L	85.2	Confident	76.8	Confident	67 Å²	67	47 Å²	47	35%	0.351	27%	0.267	S	S	.	.	S	Bend	trans	-69.7	-32	174.4	-179.1	64.1	0	0	0	112.9	L409 S448 Y450	L409-L462 HydrophobicContact CD2-CG 4.3Å; S448-L462 VanDerWaalsContact O-CB 3.25Å; S448-L462 WeakPolarHBondContact O-CB 3.18Å; S448-L462 PolarHBondContact O-N 3.09Å; Y450-L462 HydrophobicContact CD2-CD1 4.47Å
463	Y	85.8	Confident	76.6	Confident	7 Å²	7	48.6 Å²	48.6	3%	0.027	28%	0.283	C	S	.	.	S	Bend	trans	-154.6	176.4	-179.2	66.6	-91.7	0	0	0	111.4	E398 F406 L409 A410 D413 V447 A461	E398-Y463 HydrophobicContact CB-CD2 4.26Å; E398-Y463 HydrophobicContact CB-CE2 3.77Å; F406-Y463 HydrophobicContact CB-CD2 3.89Å; F406-Y463 HydrophobicContact CB-CG 4.4Å; F406-Y463 HydrophobicContact CG-CD2 4.39Å; L409-Y463 HydrophobicContact CB-CD1 3.94Å; L409-Y463 HydrophobicContact CB-CE1 4.47Å; L409-Y463 HydrophobicContact CB-CG 4.14Å; A410-Y463 WeakPolarHBondContact CA-OH 3.2Å; A410-Y463 HydrophobicContact CB-CE2 3.7Å; D413-Y463 HydrophobicContact CB-CE1 4.06Å; D413-Y463 WeakPolarHBondContact CB-OH 3.24Å; D413-Y463 VanDerWaalsContact OD2-CE1 3.29Å; D413-Y463 WeakPolarHBondContact OD2-CE1 3.42Å; D413-Y463 PolarHBondContact OD2-OH 3.38Å; V447-Y463 HydrophobicContact CB-CE1 4.5Å; V447-Y463 HydrophobicContact CG1-CE1 4.46Å; V447-Y463 HydrophobicContact CG1-CE2 4.07Å; A461-Y463 WeakPolarHBondContact CB-O 3.12Å
464	G	85.2	Confident	76.8	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.263	C	S	.	.	S	Bend	trans	76.6	-158.9	176	0	0	0	0	0	113.6	E398 C466 L467	E398-G464 WeakPolarHBondContact OE2-CA 3.45Å; G464-C466 VanDerWaalsContact C-N 3.27Å; G464-C466 PolarHBondContact O-N 3.33Å; G464-L467 PolarHBondContact O-N 2.95Å
465	R	88.1	Confident	76.9	Confident	5 Å²	5	55.2 Å²	55.2	2%	0.019	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-36.1	-173	-72.4	-178.4	-63.4	-176.9	3	113.6	Y396 E398 Y401 L434 Q442 E484 A487	Y396-R465 HydrophobicContact CE1-CG 4.4Å; E398-R465 IonicContact OE1-CZ 2.68Å; E398-R465 IonicContact OE1-NE 3.16Å; E398-R465 PolarHBondContact OE1-NE 3.25Å; E398-R465 IonicContact OE1-NH2 2.69Å; E398-R465 PolarHBondContact OE1-NH2 3.36Å; E398-R465 WeakPolarHBondContact OE2-CG 3.42Å; E398-R465 PolarHBondContact OE2-N 2.98Å; E398-R465 IonicContact OE2-NE 3.11Å; Y401-R465 HydrophobicContact CD1-CG 4.22Å; Y401-R465 HydrophobicContact CD2-CG 3.63Å; Y401-R465 HydrophobicContact CE1-CG 4.26Å; Y401-R465 HydrophobicContact CE2-CG 3.66Å; Y401-R465 HydrophobicContact CG-CG 3.93Å; L434-R465 VanDerWaalsContact CD1-NH1 3.29Å; Q442-R465 PolarHBondContact O-NH1 3.4Å; R465-E484 HydrophobicContact CB-CB 3.62Å; R465-E484 HydrophobicContact CB-CG 4.2Å; R465-E484 HydrophobicContact CG-CB 3.85Å; R465-E484 HydrophobicContact CG-CG 4.12Å; R465-E484 WeakPolarHBondContact O-CB 3.35Å; R465-E484 PolarHBondContact O-N 3.18Å; R465-E484 VanDerWaalsContact O-N 3.1Å; R465-A487 HydrophobicContact CB-CB 4.15Å
466	C	88.1	Confident	77	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	17.3	-176.5	-56.9	0	0	0	0	115.3	C432 A461 G464 F482 A488 F489	C432-C466 WeakPolarHBondContact CA-SG 3.4Å; C432-C466 HydrophobicContact CB-CB 3.76Å; C432-C466 WeakPolarHBondContact CB-SG 3.27Å; C432-C466 WeakPolarHBondContact SG-CB 3.45Å; C432-C466 PolarHBondContact SG-N 2.75Å; C432-C466 CovalentContact SG-SG 2.03Å; C432-C466 PolarHBondContact SG-SG 3.12Å; A461-C466 HydrophobicContact CB-CB 3.75Å; A461-C466 PolarHBondContact N-O 3.35Å; G464-C466 VanDerWaalsContact C-N 3.27Å; G464-C466 PolarHBondContact O-N 3.33Å; C466-F482 VanDerWaalsContact C-CD1 3.47Å; C466-F482 HydrophobicContact CB-CD1 4.38Å; C466-F482 HydrophobicContact CB-CE1 4.39Å; C466-F482 WeakPolarHBondContact O-CD1 3.39Å; C466-F482 VanDerWaalsContact O-CE1 3.25Å; C466-F482 WeakPolarHBondContact O-CE1 3.39Å; C466-A488 PolarHBondContact SG-O 3.5Å; C466-F489 HydrophobicContact CB-CB 4.22Å; C466-F489 HydrophobicContact CB-CD2 3.9Å; C466-F489 HydrophobicContact CB-CG 4.41Å
467	L	88.5	Confident	76.4	Confident	11 Å²	11	59 Å²	59	6%	0.058	32%	0.316	C	S	.	.	S	Bend	trans	-75.7	135.7	167.5	178.3	60.7	0	0	0	109.5	F406 Y450 A461 G464 L471 F482 L483	F406-L467 HydrophobicContact CE1-CD2 4.17Å; F406-L467 HydrophobicContact CZ-CD2 4.28Å; Y450-L467 HydrophobicContact CD2-CD1 4.43Å; A461-L467 WeakPolarHBondContact O-CD1 3.11Å; G464-L467 PolarHBondContact O-N 2.95Å; L467-L471 HydrophobicContact CD1-CB 3.87Å; L467-F482 CarbonylContact O-C 3.54Å; L467-F482 VanDerWaalsContact O-CA 3.27Å; L467-F482 WeakPolarHBondContact O-CA 3.31Å; L467-L483 HydrophobicContact CB-CD1 4.07Å; L467-L483 HydrophobicContact CB-CG 4.38Å; L467-L483 HydrophobicContact CD2-CD1 4Å; L467-L483 HydrophobicContact CG-CD1 4.34Å; L467-L483 PolarHBondContact O-N 2.97Å
468	L	83.7	Confident	75.6	Confident	38 Å²	38	63.9 Å²	63.9	20%	0.199	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-66.5	138.7	174.8	-77.4	157.2	0	0	0	110.8	E470 L471 S472 G481 F482	L468-E470 PolarHBondContact O-N 3.44Å; L468-L471 HydrophobicContact CB-CB 4.24Å; L468-L471 HydrophobicContact CB-CD1 3.9Å; L468-L471 HydrophobicContact CB-CG 3.9Å; L468-L471 HydrophobicContact CD1-CD1 3.83Å; L468-L471 HydrophobicContact CD1-CG 4.44Å; L468-L471 HydrophobicContact CG-CD1 4.43Å; L468-L471 CarbonylContact O-C 3.49Å; L468-L471 WeakPolarHBondContact O-CA 3.36Å; L468-L471 WeakPolarHBondContact O-CB 3.37Å; L468-L471 PolarHBondContact O-N 3.45Å; L468-S472 PolarHBondContact O-N 3.49Å; L468-G481 WeakPolarHBondContact CA-O 3.4Å; L468-F482 HydrophobicContact CD2-CD1 4.34Å; L468-F482 HydrophobicContact CD2-CE1 4.44Å; L468-F482 HydrophobicContact CG-CD1 4.33Å; L468-F482 HydrophobicContact CG-CE1 4.38Å
469	S	76.7	Confident	74.8	Confident	13 Å²	13	69.8 Å²	69.8	9%	0.091	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-58.6	-37.2	178.7	-168.8	0	0	0	0	112.2	L471 S472 R478 G481	S469-L471 PolarHBondContact O-N 3.31Å; S469-S472 PolarHBondContact O-N 3.09Å; S469-S472 VanDerWaalsContact O-N 3.13Å; S469-S472 PolarHBondContact O-OG 3.12Å; S469-R478 PolarHBondContact OG-O 2.92Å; S469-R478 VanDerWaalsContact OG-O 3.13Å; S469-G481 PolarHBondContact N-O 2.78Å
470	E	75.2	Confident	74	Confident	145 Å²	145	68.3 Å²	68.3	68%	0.678	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-63.9	-20.2	174.5	-60.9	177.8	-170.8	0	0	113.8	L468 K479	L468-E470 PolarHBondContact O-N 3.44Å; E470-K479 WeakPolarHBondContact CG-O 3.43Å
471	L	73.2	Confident	73.5	Confident	54 Å²	54	70.1 Å²	70.1	28%	0.283	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-100.7	3	178.4	-57.9	179.4	0	0	0	112.2	Y450 L467 L468 S469	Y450-L471 HydrophobicContact CD1-CD1 3.67Å; Y450-L471 HydrophobicContact CD2-CD1 3.86Å; Y450-L471 HydrophobicContact CE1-CD1 3.66Å; Y450-L471 HydrophobicContact CE1-CD2 4.09Å; Y450-L471 HydrophobicContact CE2-CB 4.34Å; Y450-L471 HydrophobicContact CE2-CD1 3.86Å; Y450-L471 HydrophobicContact CE2-CD2 4.43Å; Y450-L471 HydrophobicContact CE2-CG 4.45Å; Y450-L471 HydrophobicContact CG-CD1 3.77Å; L467-L471 HydrophobicContact CD1-CB 3.87Å; L468-L471 HydrophobicContact CB-CB 4.24Å; L468-L471 HydrophobicContact CB-CD1 3.9Å; L468-L471 HydrophobicContact CB-CG 3.9Å; L468-L471 HydrophobicContact CD1-CD1 3.83Å; L468-L471 HydrophobicContact CD1-CG 4.44Å; L468-L471 HydrophobicContact CG-CD1 4.43Å; L468-L471 CarbonylContact O-C 3.49Å; L468-L471 WeakPolarHBondContact O-CA 3.36Å; L468-L471 WeakPolarHBondContact O-CB 3.37Å; L468-L471 PolarHBondContact O-N 3.45Å; S469-L471 PolarHBondContact O-N 3.31Å
472	S	70.7	Confident	73.3	Confident	19 Å²	19	72.1 Å²	72.1	13%	0.133	38%	0.377	C	S	.	.	S	Bend	trans	-103.3	141.5	-179.5	79.9	0	0	0	0	111.6	L468 S469 L474 L483	L468-S472 PolarHBondContact O-N 3.49Å; S469-S472 PolarHBondContact O-N 3.09Å; S469-S472 VanDerWaalsContact O-N 3.13Å; S469-S472 PolarHBondContact O-OG 3.12Å; S472-L474 PolarHBondContact O-N 3.39Å; S472-L474 VanDerWaalsContact O-N 3.16Å; S472-L483 WeakPolarHBondContact OG-CD2 3.41Å
473	N	66.1	Low	73.2	Confident	177 Å²	177	69 Å²	69	95%	0.947	36%	0.361	S	S	*	.			trans	-82.8	25.8	174.9	-66.1	-24.8	0	0	0	112.5
474	L	64.2	Low	73.1	Confident	66 Å²	66	70.9 Å²	70.9	35%	0.346	37%	0.37	S	S	.	.	S	Bend	trans	-107.8	136	-171.1	-68.4	166.6	0	0	0	110.9	L402 S472 F476 L483	L402-L474 HydrophobicContact CD1-CD1 3.6Å; S472-L474 PolarHBondContact O-N 3.39Å; S472-L474 VanDerWaalsContact O-N 3.16Å; L474-F476 VanDerWaalsContact C-N 3.26Å; L474-F476 HydrophobicContact CB-CD2 4.48Å; L474-F476 PolarHBondContact O-N 3.12Å; L474-L483 HydrophobicContact CD1-CD1 4.12Å; L474-L483 HydrophobicContact CD1-CD2 3.94Å
475	N	59	Low	72.9	Confident	180 Å²	180	74.4 Å²	74.4	96%	0.963	39%	0.392	S	S	*	.			trans	-72.9	74.7	178.3	-82.3	-16.5	0	0	0	112
476	F	61.3	Low	72.6	Confident	93 Å²	93	77 Å²	77	41%	0.408	41%	0.412	S	S	.	.			trans	-92	136.8	173	-109.6	-94.4	0	0	0	111.8	L474 R478 L483	L474-F476 VanDerWaalsContact C-N 3.26Å; L474-F476 HydrophobicContact CB-CD2 4.48Å; L474-F476 PolarHBondContact O-N 3.12Å; F476-R478 PolarHBondContact O-N 3.26Å; F476-L483 HydrophobicContact CD2-CD2 4.31Å; F476-L483 HydrophobicContact CE2-CD2 4.42Å
477	T	56.5	Low	72.4	Confident	152 Å²	152	77.6 Å²	77.6	93%	0.933	42%	0.416	S	S	*	.	S	Bend	trans	-72.3	-5.7	176.6	48.3	0	0	0	0	113.9
478	R	55.4	Low	72.3	Confident	146 Å²	146	78 Å²	78	55%	0.551	42%	0.421	S	S	*	.			trans	-114.5	112	179.3	-179	-179.9	-84.5	-166.4	-5.4	109.6	S469 F476 S480	S469-R478 PolarHBondContact OG-O 2.92Å; S469-R478 VanDerWaalsContact OG-O 3.13Å; F476-R478 PolarHBondContact O-N 3.26Å; R478-S480 VanDerWaalsContact C-N 3.3Å; R478-S480 WeakPolarHBondContact CD-O 3.17Å; R478-S480 WeakPolarHBondContact CG-O 3.29Å; R478-S480 PolarHBondContact O-N 2.88Å
479	K	58.6	Low	72.5	Confident	182 Å²	182	76.8 Å²	76.8	79%	0.791	41%	0.414	S	S	*	.			trans	-78.6	-0.2	-177.3	-69.8	-172.4	175.1	-176.7	0	115.4	E470	E470-K479 WeakPolarHBondContact CG-O 3.43Å
480	S	62.8	Low	72.8	Confident	79 Å²	79	76.3 Å²	76.3	55%	0.552	41%	0.41	S	S	*	.	S	Bend	trans	-139.8	139.7	-172.1	56.4	0	0	0	0	113.1	R478	R478-S480 VanDerWaalsContact C-N 3.3Å; R478-S480 WeakPolarHBondContact CD-O 3.17Å; R478-S480 WeakPolarHBondContact CG-O 3.29Å; R478-S480 PolarHBondContact O-N 2.88Å
481	G	72.4	Confident	73.1	Confident	39 Å²	39	71.8 Å²	71.8	40%	0.402	39%	0.387	S	S	.	.	S	Bend	trans	100.2	-171.6	-177.7	0	0	0	0	0	113.8	L468 S469	L468-G481 WeakPolarHBondContact CA-O 3.4Å; S469-G481 PolarHBondContact N-O 2.78Å
482	F	83.4	Confident	73.1	Confident	42 Å²	42	70.6 Å²	70.6	18%	0.184	39%	0.388	C	S	.	.	B	Isolated β-bridge	trans	-77	159.6	176	-61.5	-55.6	0	0	0	112.6	N459 C466 L467 L468 E484 A487 F489	N459-F482 WeakPolarHBondContact O-CE1 3.4Å; N459-F482 WeakPolarHBondContact O-CZ 3.46Å; C466-F482 VanDerWaalsContact C-CD1 3.47Å; C466-F482 HydrophobicContact CB-CD1 4.38Å; C466-F482 HydrophobicContact CB-CE1 4.39Å; C466-F482 WeakPolarHBondContact O-CD1 3.39Å; C466-F482 VanDerWaalsContact O-CE1 3.25Å; C466-F482 WeakPolarHBondContact O-CE1 3.39Å; L467-F482 CarbonylContact O-C 3.54Å; L467-F482 VanDerWaalsContact O-CA 3.27Å; L467-F482 WeakPolarHBondContact O-CA 3.31Å; L468-F482 HydrophobicContact CD2-CD1 4.34Å; L468-F482 HydrophobicContact CD2-CE1 4.44Å; L468-F482 HydrophobicContact CG-CD1 4.33Å; L468-F482 HydrophobicContact CG-CE1 4.38Å; F482-E484 WeakPolarHBondContact CB-O 3.35Å; F482-E484 PolarHBondContact O-N 2.62Å; F482-A487 HydrophobicContact CD2-CB 4.4Å; F482-A487 VanDerWaalsContact CD2-O 3.26Å; F482-A487 WeakPolarHBondContact CD2-O 3.12Å; F482-A487 WeakPolarHBondContact CE2-O 3.42Å; F482-F489 HydrophobicContact CZ-CB 3.96Å
483	L	83.5	Confident	73.6	Confident	2 Å²	2	70.7 Å²	70.7	1%	0.01	39%	0.386	C	S	.	.	S	Bend	trans	-53.8	-44.3	172	-82.7	-177.4	0	0	0	111.5	Y401 L402 F406 L467 S472 L474 F476 P485	Y401-L483 HydrophobicContact CE1-CB 4.17Å; Y401-L483 PolarHBondContact OH-O 3.25Å; L402-L483 HydrophobicContact CD1-CD1 4.48Å; F406-L483 HydrophobicContact CE2-CD1 4.1Å; F406-L483 HydrophobicContact CZ-CD1 3.68Å; L467-L483 HydrophobicContact CB-CD1 4.07Å; L467-L483 HydrophobicContact CB-CG 4.38Å; L467-L483 HydrophobicContact CD2-CD1 4Å; L467-L483 HydrophobicContact CG-CD1 4.34Å; L467-L483 PolarHBondContact O-N 2.97Å; S472-L483 WeakPolarHBondContact OG-CD2 3.41Å; L474-L483 HydrophobicContact CD1-CD1 4.12Å; L474-L483 HydrophobicContact CD1-CD2 3.94Å; F476-L483 HydrophobicContact CD2-CD2 4.31Å; F476-L483 HydrophobicContact CE2-CD2 4.42Å; L483-P485 WeakPolarHBondContact O-CD 3.14Å
484	E	83.1	Confident	74.3	Confident	46 Å²	46	62.4 Å²	62.4	22%	0.215	34%	0.342	C	S	.	.	S	Bend	trans	-93.1	105.4	167	-175.7	49.1	-124.5	0	0	108.4	Y401 L434 R465 F482 S486 A487	Y401-E484 WeakPolarHBondContact OH-CA 3.24Å; Y401-E484 WeakPolarHBondContact OH-CB 3.13Å; Y401-E484 PolarHBondContact OH-N 3.2Å; Y401-E484 PolarHBondContact OH-OE2 3.02Å; L434-E484 HydrophobicContact CD2-CG 3.68Å; R465-E484 HydrophobicContact CB-CB 3.62Å; R465-E484 HydrophobicContact CB-CG 4.2Å; R465-E484 HydrophobicContact CG-CB 3.85Å; R465-E484 HydrophobicContact CG-CG 4.12Å; R465-E484 WeakPolarHBondContact O-CB 3.35Å; R465-E484 PolarHBondContact O-N 3.18Å; R465-E484 VanDerWaalsContact O-N 3.1Å; F482-E484 WeakPolarHBondContact CB-O 3.35Å; F482-E484 PolarHBondContact O-N 2.62Å; E484-S486 PolarHBondContact O-N 3.48Å; E484-S486 PolarHBondContact OE1-OG 3.32Å; E484-A487 HydrophobicContact CB-CB 3.94Å; E484-A487 HydrophobicContact CG-CB 4.12Å; E484-A487 WeakPolarHBondContact O-CB 3.3Å; E484-A487 PolarHBondContact O-N 3.26Å
485	P	80.9	Confident	75	Confident	74 Å²	74	61.4 Å²	61.4	48%	0.481	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-17	-172.3	-22.8	34.8	0	0	0	114	L483	L483-P485 WeakPolarHBondContact O-CD 3.14Å
486	S	81.3	Confident	76	Confident	60 Å²	60	53.7 Å²	53.7	42%	0.42	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-4.2	-178.8	-42.4	0	0	0	0	113.2	P435 E484	P435-S486 WeakPolarHBondContact CD-O 3.45Å; E484-S486 PolarHBondContact O-N 3.48Å; E484-S486 PolarHBondContact OE1-OG 3.32Å
487	A	84.8	Confident	77	Confident	12 Å²	12	53.8 Å²	53.8	10%	0.099	31%	0.31	C	S	.	.			trans	-83.9	156.3	-173.9	0	0	0	0	0	113.5	Y433 L434 R465 F482 E484	Y433-A487 CarbonylContact O-C 3.54Å; Y433-A487 WeakPolarHBondContact O-CA 3.28Å; L434-A487 HydrophobicContact CD2-CB 4.28Å; R465-A487 HydrophobicContact CB-CB 4.15Å; F482-A487 HydrophobicContact CD2-CB 4.4Å; F482-A487 VanDerWaalsContact CD2-O 3.26Å; F482-A487 WeakPolarHBondContact CD2-O 3.12Å; F482-A487 WeakPolarHBondContact CE2-O 3.42Å; E484-A487 HydrophobicContact CB-CB 3.94Å; E484-A487 HydrophobicContact CG-CB 4.12Å; E484-A487 WeakPolarHBondContact O-CB 3.3Å; E484-A487 PolarHBondContact O-N 3.26Å
488	A	85.8	Confident	78.3	Confident	18 Å²	18	47.8 Å²	47.8	15%	0.149	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	147.4	174.3	0	0	0	0	0	110.3	Y433 P435 C466	Y433-A488 HydrophobicContact CD1-CB 4.2Å; Y433-A488 VanDerWaalsContact CD1-O 3.29Å; Y433-A488 WeakPolarHBondContact CD1-O 3.47Å; Y433-A488 HydrophobicContact CE1-CB 3.62Å; Y433-A488 HydrophobicContact CE2-CB 4.15Å; Y433-A488 PolarHBondContact N-O 2.95Å; Y433-A488 PolarHBondContact O-N 3.42Å; P435-A488 HydrophobicContact CG-CB 3.59Å; C466-A488 PolarHBondContact SG-O 3.5Å
489	F	87.3	Confident	79.7	Confident	14 Å²	14	44.7 Å²	44.7	6%	0.061	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	122.7	-177.9	-167.7	-110.7	0	0	0	109.9	F431 C432 V447 V449 P458 A461 C466 F482	F431-F489 WeakPolarHBondContact O-CA 3.11Å; C432-F489 HydrophobicContact CB-CD2 4.32Å; V447-F489 HydrophobicContact CG2-CE2 4.05Å; V449-F489 HydrophobicContact CB-CZ 4.27Å; V449-F489 HydrophobicContact CG1-CE1 4.1Å; V449-F489 HydrophobicContact CG1-CZ 4.28Å; V449-F489 HydrophobicContact CG2-CE1 4.16Å; V449-F489 HydrophobicContact CG2-CZ 3.83Å; P458-F489 WeakPolarHBondContact O-CD1 3.29Å; A461-F489 HydrophobicContact CB-CD2 4.05Å; A461-F489 HydrophobicContact CB-CE2 3.66Å; A461-F489 HydrophobicContact CB-CZ 4.32Å; C466-F489 HydrophobicContact CB-CB 4.22Å; C466-F489 HydrophobicContact CB-CD2 3.9Å; C466-F489 HydrophobicContact CB-CG 4.41Å; F482-F489 HydrophobicContact CZ-CB 3.96Å
490	D	83.4	Confident	81	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.011	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	134	175.7	-76.9	-9.8	0	0	0	110.1	K330 G430 F431 Y433 Y493 T495	K330-D490 IonicContact NZ-OD1 3.1Å; K330-D490 PolarHBondContact NZ-OD1 2.97Å; G430-D490 CarbonylContact C-O 3.15Å; G430-D490 VanDerWaalsContact CA-O 3.28Å; G430-D490 WeakPolarHBondContact CA-O 3.36Å; F431-D490 PolarHBondContact N-O 3.21Å; F431-D490 PolarHBondContact O-N 3.08Å; Y433-D490 HydrophobicContact CE1-CB 4.44Å; D490-Y493 HydrophobicContact CB-CD2 4.31Å; D490-Y493 HydrophobicContact CB-CE2 3.81Å; D490-Y493 VanDerWaalsContact OD1-CE2 3.28Å; D490-Y493 WeakPolarHBondContact OD1-CE2 3.04Å; D490-Y493 PolarHBondContact OD1-OH 3.06Å; D490-T495 VanDerWaalsContact OD2-CB 3.3Å; D490-T495 WeakPolarHBondContact OD2-CB 3.47Å; D490-T495 WeakPolarHBondContact OD2-CG2 3.49Å; D490-T495 PolarHBondContact OD2-N 3.05Å; D490-T495 PolarHBondContact OD2-OG1 3.36Å
491	Y	81.1	Confident	82.3	Confident	50 Å²	50	39.8 Å²	39.8	20%	0.196	23%	0.227	C	C	.	.			trans	-131.4	116.8	-175.8	174.4	-109.2	0	0	0	111.7	S427 C429 V449 I456 P458 Y493	S427-Y491 PolarHBondContact O-OH 3.39Å; C429-Y491 WeakPolarHBondContact O-CD2 3.21Å; V449-Y491 HydrophobicContact CG2-CD2 3.57Å; V449-Y491 HydrophobicContact CG2-CE2 3.75Å; I456-Y491 HydrophobicContact CG2-CE2 4.46Å; P458-Y491 HydrophobicContact CB-CD1 3.56Å; P458-Y491 HydrophobicContact CB-CE1 4.13Å; P458-Y491 HydrophobicContact CB-CG 4.19Å; Y491-Y493 VanDerWaalsContact C-N 3.27Å; Y491-Y493 WeakPolarHBondContact O-CD1 3.46Å; Y491-Y493 VanDerWaalsContact O-CE1 3.32Å; Y491-Y493 WeakPolarHBondContact O-CE1 3.4Å; Y491-Y493 PolarHBondContact O-N 3.44Å
492	G	74.2	Confident	83	Confident	29 Å²	29	37.9 Å²	37.9	30%	0.299	21%	0.208	S	C	.	.	S	Bend	trans	74.4	8.4	-179.9	0	0	0	0	0	115.8
493	Y	81	Confident	83.3	Confident	21 Å²	21	36.5 Å²	36.5	8%	0.082	20%	0.202	C	C	.	.	S	Bend	trans	-152.8	171.6	174.6	63.8	-89.6	0	0	0	109.4	K325 K330 D490 Y491 T495	K325-Y493 VanDerWaalsContact O-CB 3.26Å; K325-Y493 WeakPolarHBondContact O-CB 3.34Å; K330-Y493 HydrophobicContact CD-CE2 4.42Å; K330-Y493 WeakPolarHBondContact CD-OH 3.28Å; K330-Y493 VanDerWaalsContact CE-OH 3.25Å; K330-Y493 WeakPolarHBondContact CE-OH 3.37Å; K330-Y493 HydrophobicContact CG-CE2 4.09Å; K330-Y493 PolarHBondContact NZ-OH 3.42Å; K330-Y493 VanDerWaalsContact NZ-OH 3.1Å; D490-Y493 HydrophobicContact CB-CD2 4.31Å; D490-Y493 HydrophobicContact CB-CE2 3.81Å; D490-Y493 VanDerWaalsContact OD1-CE2 3.28Å; D490-Y493 WeakPolarHBondContact OD1-CE2 3.04Å; D490-Y493 PolarHBondContact OD1-OH 3.06Å; Y491-Y493 VanDerWaalsContact C-N 3.27Å; Y491-Y493 WeakPolarHBondContact O-CD1 3.46Å; Y491-Y493 VanDerWaalsContact O-CE1 3.32Å; Y491-Y493 WeakPolarHBondContact O-CE1 3.4Å; Y491-Y493 PolarHBondContact O-N 3.44Å; Y493-T495 HydrophobicContact CE2-CG2 4.23Å
494	C	81	Confident	83.6	Confident	3 Å²	3	38.3 Å²	38.3	2%	0.02	22%	0.217	C	C	.	.			trans	-125.9	127.9	170.4	-71.5	0	0	0	0	110.6	C420 D421 T496	C420-C494 VanDerWaalsContact CA-SG 3.59Å; C420-C494 HydrophobicContact CB-CB 4.18Å; C420-C494 WeakPolarHBondContact CB-SG 3.35Å; C420-C494 PolarHBondContact O-SG 3.37Å; C420-C494 VanDerWaalsContact SG-CA 3.56Å; C420-C494 WeakPolarHBondContact SG-CB 3.27Å; C420-C494 CovalentContact SG-SG 2.04Å; C420-C494 PolarHBondContact SG-SG 3.03Å; D421-C494 PolarHBondContact N-SG 2.86Å; D421-C494 VanDerWaalsContact N-SG 3.39Å; C494-T496 HydrophobicContact CB-CG2 4.28Å; C494-T496 PolarHBondContact O-N 3.36Å; C494-T496 VanDerWaalsContact O-N 3.12Å
495	T	78.3	Confident	84	Confident	45 Å²	45	36.5 Å²	36.5	28%	0.276	21%	0.21	S	C	.	.			trans	-62	113.7	167.6	41.4	0	0	0	0	110.5	Y433 D490 Y493	Y433-T495 PolarHBondContact OH-OG1 3.1Å; Y433-T495 VanDerWaalsContact OH-OG1 3.1Å; D490-T495 VanDerWaalsContact OD2-CB 3.3Å; D490-T495 WeakPolarHBondContact OD2-CB 3.47Å; D490-T495 WeakPolarHBondContact OD2-CG2 3.49Å; D490-T495 PolarHBondContact OD2-N 3.05Å; D490-T495 PolarHBondContact OD2-OG1 3.36Å; Y493-T495 HydrophobicContact CE2-CG2 4.23Å
496	T	80	Confident	84.5	Confident	19 Å²	19	33.1 Å²	33.1	12%	0.117	19%	0.189	C	C	.	.			trans	-141.8	152.5	174.9	66.1	0	0	0	0	109.8	I387 C494 Y498 F499	I387-T496 HydrophobicContact CG2-CG2 4.12Å; C494-T496 HydrophobicContact CB-CG2 4.28Å; C494-T496 PolarHBondContact O-N 3.36Å; C494-T496 VanDerWaalsContact O-N 3.12Å; T496-Y498 PolarHBondContact O-N 3.21Å; T496-F499 WeakPolarHBondContact O-CD1 3.35Å; T496-F499 PolarHBondContact O-N 3.23Å
497	S	82.2	Confident	85	Confident	95 Å²	95	32.4 Å²	32.4	66%	0.664	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-6	174.9	-50.3	0	0	0	0	114.1	W500	S497-W500 VanDerWaalsContact O-CD1 3.26Å; S497-W500 PolarHBondContact O-NE1 3.36Å
498	Y	83.7	Confident	85.4	Confident	26 Å²	26	35.5 Å²	35.5	10%	0.102	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	5.7	-175.2	-60.4	-56.4	0	0	0	114.3	L386 T390 T496 W500 I501 P502 Y765	L386-Y498 HydrophobicContact CB-CD2 4.1Å; L386-Y498 HydrophobicContact CB-CG 4.14Å; T390-Y498 HydrophobicContact CG2-CD2 4.23Å; T390-Y498 HydrophobicContact CG2-CE2 3.86Å; T390-Y498 VanDerWaalsContact OG1-CE2 3.3Å; T390-Y498 WeakPolarHBondContact OG1-CE2 3.33Å; T496-Y498 PolarHBondContact O-N 3.21Å; Y498-W500 PolarHBondContact O-N 3.45Å; Y498-I501 HydrophobicContact CD1-CD1 3.62Å; Y498-I501 HydrophobicContact CE1-CD1 4.48Å; Y498-I501 HydrophobicContact CG-CD1 4.21Å; Y498-I501 PolarHBondContact O-N 3.3Å; Y498-P502 WeakPolarHBondContact O-CD 3.41Å; Y498-Y765 PolarHBondContact OH-OH 2.83Å
499	F	83.9	Confident	85.7	Confident	80 Å²	80	34.7 Å²	34.7	35%	0.351	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-27.1	179.8	79.3	-88	0	0	0	114.7	S327 V329 T496	S327-F499 WeakPolarHBondContact CB-O 3.22Å; S327-F499 VanDerWaalsContact O-CA 3.32Å; S327-F499 WeakPolarHBondContact O-CA 3.45Å; S327-F499 WeakPolarHBondContact O-CB 3.25Å; S327-F499 PolarHBondContact OG-O 2.89Å; V329-F499 HydrophobicContact CG2-CD2 4.35Å; T496-F499 WeakPolarHBondContact O-CD1 3.35Å; T496-F499 PolarHBondContact O-N 3.23Å
500	W	86.7	Confident	86	Confident	135 Å²	135	34 Å²	34	51%	0.511	19%	0.187	S	C	.	.	H	α-helix	trans	-79.4	-21.3	-178.8	62.8	-91.1	0	0	0	113.3	S497 Y498 I503 A504	S497-W500 VanDerWaalsContact O-CD1 3.26Å; S497-W500 PolarHBondContact O-NE1 3.36Å; Y498-W500 PolarHBondContact O-N 3.45Å; W500-I503 PolarHBondContact O-N 3.08Å; W500-A504 HydrophobicContact CE3-CB 4.23Å; W500-A504 WeakPolarHBondContact O-CB 2.99Å; W500-A504 PolarHBondContact O-N 3.45Å
501	I	90.1	Very high	86.4	Confident	23 Å²	23	36.9 Å²	36.9	12%	0.118	20%	0.202	C	C	.	.	H	α-helix	trans	-65.5	-48.4	-174.7	-58	-179.1	0	0	0	111.7	G383 L386 Y498 I503 A504 A505	G383-I501 VanDerWaalsContact CA-CG2 3.46Å; L386-I501 HydrophobicContact CD1-CD1 3.6Å; Y498-I501 HydrophobicContact CD1-CD1 3.62Å; Y498-I501 HydrophobicContact CE1-CD1 4.48Å; Y498-I501 HydrophobicContact CG-CD1 4.21Å; Y498-I501 PolarHBondContact O-N 3.3Å; I501-I503 VanDerWaalsContact C-N 3.29Å; I501-I503 PolarHBondContact O-N 3.42Å; I501-A504 PolarHBondContact O-N 2.86Å; I501-A505 VanDerWaalsContact O-CB 3.29Å; I501-A505 WeakPolarHBondContact O-CB 3.29Å; I501-A505 PolarHBondContact O-N 2.97Å
502	P	88.1	Confident	87	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.6	-36.1	175.3	-24.5	35.1	0	0	0	113.5	F384 I387 Y498 S506	F384-P502 HydrophobicContact CD1-CG 4.33Å; F384-P502 HydrophobicContact CD2-CB 4.17Å; F384-P502 HydrophobicContact CD2-CG 4.14Å; F384-P502 HydrophobicContact CE1-CB 4.46Å; F384-P502 HydrophobicContact CE1-CG 4.2Å; F384-P502 HydrophobicContact CE2-CB 3.65Å; F384-P502 HydrophobicContact CE2-CG 4Å; F384-P502 HydrophobicContact CG-CG 4.3Å; F384-P502 HydrophobicContact CZ-CB 3.81Å; F384-P502 HydrophobicContact CZ-CG 4.03Å; I387-P502 HydrophobicContact CD1-CG 3.6Å; Y498-P502 WeakPolarHBondContact O-CD 3.41Å; P502-S506 WeakPolarHBondContact O-CB 3.37Å; P502-S506 PolarHBondContact O-N 3.49Å
503	I	88.6	Confident	87.9	Confident	12 Å²	12	34.6 Å²	34.6	6%	0.062	19%	0.187	C	C	.	.	H	α-helix	trans	-65.5	-52.1	177.7	-58.6	176	0	0	0	109.4	A324 V329 F338 W500 I501 A505 S506 I507	A324-I503 HydrophobicContact CB-CD1 4.32Å; V329-I503 HydrophobicContact CG2-CD1 4.28Å; F338-I503 HydrophobicContact CD1-CD1 4.39Å; F338-I503 HydrophobicContact CD1-CG2 4.05Å; F338-I503 HydrophobicContact CG-CD1 4.28Å; W500-I503 PolarHBondContact O-N 3.08Å; I501-I503 VanDerWaalsContact C-N 3.29Å; I501-I503 PolarHBondContact O-N 3.42Å; I503-A505 VanDerWaalsContact C-N 3.35Å; I503-A505 PolarHBondContact O-N 3.35Å; I503-S506 PolarHBondContact O-N 2.99Å; I503-S506 PolarHBondContact O-OG 3.46Å; I503-I507 HydrophobicContact CG2-CD1 4.18Å; I503-I507 WeakPolarHBondContact O-CG1 3.46Å; I503-I507 PolarHBondContact O-N 3.4Å; I503-I507 VanDerWaalsContact O-N 3.17Å
504	A	90.6	Very high	88.5	Confident	40 Å²	40	33.7 Å²	33.7	33%	0.331	18%	0.184	S	C	.	.	H	α-helix	trans	-60	-42.2	177.3	0	0	0	0	0	112.5	W500 I501 S506 I507 V508	W500-A504 HydrophobicContact CE3-CB 4.23Å; W500-A504 WeakPolarHBondContact O-CB 2.99Å; W500-A504 PolarHBondContact O-N 3.45Å; I501-A504 PolarHBondContact O-N 2.86Å; A504-S506 PolarHBondContact O-N 2.92Å; A504-I507 PolarHBondContact O-N 3.32Å; A504-V508 WeakPolarHBondContact O-CG2 3.37Å; A504-V508 PolarHBondContact O-N 3.06Å; A504-V508 VanDerWaalsContact O-N 3.12Å
505	A	91.8	Very high	89	Confident	8 Å²	8	36 Å²	36	7%	0.066	20%	0.196	C	C	.	.	H	α-helix	trans	-62.6	-41.2	176.4	0	0	0	0	0	112.2	F379 M380 I501 I503 I507 V508 F509	F379-A505 HydrophobicContact CB-CB 4.08Å; M380-A505 HydrophobicContact CB-CB 3.93Å; M380-A505 HydrophobicContact CG-CB 4.35Å; I501-A505 VanDerWaalsContact O-CB 3.29Å; I501-A505 WeakPolarHBondContact O-CB 3.29Å; I501-A505 PolarHBondContact O-N 2.97Å; I503-A505 VanDerWaalsContact C-N 3.35Å; I503-A505 PolarHBondContact O-N 3.35Å; A505-I507 VanDerWaalsContact C-N 3.34Å; A505-I507 PolarHBondContact O-N 2.95Å; A505-V508 PolarHBondContact O-N 3.23Å; A505-F509 VanDerWaalsContact O-CB 3.29Å; A505-F509 WeakPolarHBondContact O-CB 3.33Å; A505-F509 PolarHBondContact O-N 3.38Å
506	S	91.3	Very high	89.5	Confident	4 Å²	4	33.9 Å²	33.9	3%	0.028	18%	0.183	C	C	.	.	H	α-helix	trans	-61.6	-40.3	176.8	76.1	0	0	0	0	112.7	P502 I503 A504 F509 L510	P502-S506 WeakPolarHBondContact O-CB 3.37Å; P502-S506 PolarHBondContact O-N 3.49Å; I503-S506 PolarHBondContact O-N 2.99Å; I503-S506 PolarHBondContact O-OG 3.46Å; A504-S506 PolarHBondContact O-N 2.92Å; S506-F509 PolarHBondContact O-N 3.31Å; S506-L510 WeakPolarHBondContact O-CG 3.4Å; S506-L510 PolarHBondContact O-N 3.49Å
507	I	91.8	Very high	90.1	Very high	44 Å²	44	33 Å²	33	23%	0.226	18%	0.178	C	C	.	.	H	α-helix	trans	-64.8	-44.1	178.3	-68.5	170.5	0	0	0	110.8	L341 P342 T345 I503 A504 A505 L511	L341-I507 HydrophobicContact CB-CD1 4.11Å; P342-I507 HydrophobicContact CG-CG1 4.12Å; T345-I507 HydrophobicContact CG2-CG2 3.61Å; T345-I507 PolarHBondContact OG1-O 2.89Å; T345-I507 VanDerWaalsContact OG1-O 3.07Å; I503-I507 HydrophobicContact CG2-CD1 4.18Å; I503-I507 WeakPolarHBondContact O-CG1 3.46Å; I503-I507 PolarHBondContact O-N 3.4Å; I503-I507 VanDerWaalsContact O-N 3.17Å; A504-I507 PolarHBondContact O-N 3.32Å; A505-I507 VanDerWaalsContact C-N 3.34Å; A505-I507 PolarHBondContact O-N 2.95Å; I507-L511 WeakPolarHBondContact O-CB 3.43Å; I507-L511 PolarHBondContact O-N 3.22Å; I507-L511 VanDerWaalsContact O-N 3.17Å
508	V	91.6	Very high	90.4	Very high	78 Å²	78	28.9 Å²	28.9	47%	0.473	15%	0.149	S	C	.	.	H	α-helix	trans	-67.4	-44.9	177	172.6	0	0	0	0	111.4	A504 A505 L511 V512	A504-V508 WeakPolarHBondContact O-CG2 3.37Å; A504-V508 PolarHBondContact O-N 3.06Å; A504-V508 VanDerWaalsContact O-N 3.12Å; A505-V508 PolarHBondContact O-N 3.23Å; V508-L511 PolarHBondContact O-N 3.18Å; V508-V512 WeakPolarHBondContact O-CB 3.29Å; V508-V512 VanDerWaalsContact O-CG2 3.32Å; V508-V512 WeakPolarHBondContact O-CG2 3.32Å; V508-V512 PolarHBondContact O-N 3.14Å
509	F	94	Very high	90.7	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	15%	0.146	C	C	.	.	H	α-helix	trans	-56.4	-52.8	177.2	162.9	-114.7	0	0	0	111.6	S311 V313 V316 V377 A505 S506 L511 V512 F513	S311-F509 WeakPolarHBondContact O-CZ 3.49Å; V313-F509 HydrophobicContact CB-CE1 4.43Å; V313-F509 HydrophobicContact CB-CZ 4.24Å; V316-F509 HydrophobicContact CB-CD1 4.37Å; V316-F509 HydrophobicContact CB-CE1 4.12Å; V316-F509 HydrophobicContact CG1-CD1 4.25Å; V316-F509 HydrophobicContact CG1-CE1 4.47Å; V316-F509 HydrophobicContact CG2-CD1 4.07Å; V316-F509 HydrophobicContact CG2-CE1 3.81Å; V377-F509 HydrophobicContact CG2-CD2 3.45Å; V377-F509 VanDerWaalsContact CG2-CD2 3.45Å; V377-F509 HydrophobicContact CG2-CE2 3.29Å; V377-F509 HydrophobicContact CG2-CG 4.17Å; V377-F509 HydrophobicContact CG2-CZ 3.91Å; A505-F509 VanDerWaalsContact O-CB 3.29Å; A505-F509 WeakPolarHBondContact O-CB 3.33Å; A505-F509 PolarHBondContact O-N 3.38Å; S506-F509 PolarHBondContact O-N 3.31Å; F509-L511 PolarHBondContact O-N 2.64Å; F509-V512 PolarHBondContact O-N 3.05Å; F509-F513 HydrophobicContact CE2-CB 4.44Å; F509-F513 VanDerWaalsContact O-CB 3.3Å; F509-F513 WeakPolarHBondContact O-CB 3.42Å; F509-F513 PolarHBondContact O-N 3.3Å
510	L	92.9	Very high	91	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-66.7	-38.4	-178.2	-68.8	-174.1	0	0	0	113	V313 V316 L317 P342 N346 S506 V512 F513 A514	V313-L510 HydrophobicContact CG2-CD2 3.66Å; V316-L510 HydrophobicContact CG1-CD1 4.15Å; V316-L510 HydrophobicContact CG1-CD2 4.43Å; V316-L510 HydrophobicContact CG1-CG 4.2Å; L317-L510 HydrophobicContact CD2-CD1 3.54Å; L317-L510 HydrophobicContact CG-CD1 3.95Å; L317-L510 HydrophobicContact CG-CD2 4.26Å; P342-L510 HydrophobicContact CB-CD1 3.45Å; P342-L510 VanDerWaalsContact CB-CD1 3.45Å; P342-L510 VanDerWaalsContact O-CD1 3.28Å; P342-L510 WeakPolarHBondContact O-CD1 3.47Å; N346-L510 HydrophobicContact CB-CB 4.42Å; S506-L510 WeakPolarHBondContact O-CG 3.4Å; S506-L510 PolarHBondContact O-N 3.49Å; L510-V512 VanDerWaalsContact C-N 3.26Å; L510-V512 PolarHBondContact O-N 2.73Å; L510-F513 PolarHBondContact O-N 3.33Å; L510-A514 WeakPolarHBondContact O-CB 3.07Å; L510-A514 PolarHBondContact O-N 2.88Å
511	L	92.2	Very high	91.3	Very high	62 Å²	62	17.7 Å²	17.7	33%	0.325	11%	0.105	S	C	.	.	H	α-helix	trans	-55.6	-44.3	174.7	-177.6	64.1	0	0	0	111.5	I348 I507 V508 F509 L515	I348-L511 HydrophobicContact CG2-CD1 4.4Å; I507-L511 WeakPolarHBondContact O-CB 3.43Å; I507-L511 PolarHBondContact O-N 3.22Å; I507-L511 VanDerWaalsContact O-N 3.17Å; V508-L511 PolarHBondContact O-N 3.18Å; F509-L511 PolarHBondContact O-N 2.64Å; L511-L515 WeakPolarHBondContact O-CG 3.4Å; L511-L515 PolarHBondContact O-N 3.15Å
512	V	92.4	Very high	91.3	Very high	26 Å²	26	17 Å²	17	16%	0.158	10%	0.101	C	C	.	.	H	α-helix	trans	-78.9	-39.5	-175.2	169	0	0	0	0	112.6	S369 A372 V508 F509 L510 A514 L515	S369-V512 PolarHBondContact OG-O 2.98Å; A372-V512 HydrophobicContact CB-CG1 3.27Å; V508-V512 WeakPolarHBondContact O-CB 3.29Å; V508-V512 VanDerWaalsContact O-CG2 3.32Å; V508-V512 WeakPolarHBondContact O-CG2 3.32Å; V508-V512 PolarHBondContact O-N 3.14Å; F509-V512 PolarHBondContact O-N 3.05Å; L510-V512 VanDerWaalsContact C-N 3.26Å; L510-V512 PolarHBondContact O-N 2.73Å; V512-A514 PolarHBondContact O-N 3.08Å; V512-L515 PolarHBondContact O-N 2.84Å
513	F	94.1	Very high	91.5	Very high	5 Å²	5	17 Å²	17	2%	0.022	10%	0.101	C	C	.	.	H	α-helix	trans	-56.4	-42.9	169.2	169	-85.6	0	0	0	110.8	Q308 S311 V313 S369 S373 F509 L510 L515 G516 L517 S518	Q308-F513 HydrophobicContact CG-CE2 3.85Å; Q308-F513 HydrophobicContact CG-CZ 3.49Å; Q308-F513 VanDerWaalsContact CG-CZ 3.49Å; S311-F513 WeakPolarHBondContact OG-CE2 3.25Å; V313-F513 HydrophobicContact CB-CD2 4.23Å; V313-F513 HydrophobicContact CB-CE1 4.29Å; V313-F513 HydrophobicContact CB-CE2 3.84Å; V313-F513 HydrophobicContact CB-CZ 3.88Å; V313-F513 HydrophobicContact CG1-CE1 4.47Å; V313-F513 HydrophobicContact CG1-CE2 3.8Å; V313-F513 HydrophobicContact CG1-CZ 3.7Å; V313-F513 HydrophobicContact CG2-CD1 3.96Å; V313-F513 HydrophobicContact CG2-CD2 4.43Å; V313-F513 HydrophobicContact CG2-CE1 3.65Å; V313-F513 HydrophobicContact CG2-CE2 4.12Å; V313-F513 HydrophobicContact CG2-CG 4.36Å; V313-F513 HydrophobicContact CG2-CZ 3.73Å; S369-F513 PolarHBondContact OG-O 2.98Å; S373-F513 VanDerWaalsContact OG-CA 3.31Å; S373-F513 WeakPolarHBondContact OG-CA 3.47Å; F509-F513 HydrophobicContact CE2-CB 4.44Å; F509-F513 VanDerWaalsContact O-CB 3.3Å; F509-F513 WeakPolarHBondContact O-CB 3.42Å; F509-F513 PolarHBondContact O-N 3.3Å; L510-F513 PolarHBondContact O-N 3.33Å; F513-L515 VanDerWaalsContact C-N 3.31Å; F513-L515 PolarHBondContact O-N 3.08Å; F513-G516 PolarHBondContact O-N 3.07Å; F513-L517 HydrophobicContact CD2-CB 3.58Å; F513-L517 HydrophobicContact CD2-CD1 3.73Å; F513-L517 HydrophobicContact CD2-CG 4.33Å; F513-L517 HydrophobicContact CE2-CB 3.51Å; F513-L517 HydrophobicContact CE2-CD1 4Å; F513-L517 HydrophobicContact CE2-CG 4.36Å; F513-L517 HydrophobicContact CG-CB 4.14Å; F513-L517 HydrophobicContact CZ-CB 4Å; F513-L517 WeakPolarHBondContact O-CA 3.46Å; F513-L517 WeakPolarHBondContact O-CB 3.03Å; F513-L517 PolarHBondContact O-N 3.26Å; F513-S518 PolarHBondContact O-N 3.5Å
514	A	92.4	Very high	91.6	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.008	10%	0.098	C	C	.	.	H	α-helix	trans	-69.1	-25.1	-175.8	0	0	0	0	0	114.2	N346 G349 T350 L510 V512 G516	N346-A514 VanDerWaalsContact O-CB 3.26Å; N346-A514 WeakPolarHBondContact O-CB 3.47Å; N346-A514 WeakPolarHBondContact OD1-CB 3.38Å; G349-A514 CarbonylContact C-O 3.46Å; G349-A514 CarbonylContact O-C 3.51Å; T350-A514 WeakPolarHBondContact CA-O 3.27Å; L510-A514 WeakPolarHBondContact O-CB 3.07Å; L510-A514 PolarHBondContact O-N 2.88Å; V512-A514 PolarHBondContact O-N 3.08Å; A514-G516 PolarHBondContact O-N 3.3Å; A514-G516 VanDerWaalsContact O-N 3.16Å
515	L	91.8	Very high	91.6	Very high	51 Å²	51	14.5 Å²	14.5	27%	0.267	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.9	176.3	-67.5	177.3	0	0	0	114.3	I352 G353 L356 T365 L511 V512 F513	I352-L515 HydrophobicContact CB-CD2 3.73Å; I352-L515 HydrophobicContact CD1-CD2 4.49Å; I352-L515 HydrophobicContact CG2-CD2 3.46Å; I352-L515 VanDerWaalsContact CG2-CD2 3.46Å; G353-L515 WeakPolarHBondContact CA-O 3.46Å; L356-L515 HydrophobicContact CD1-CD2 4.37Å; T365-L515 WeakPolarHBondContact CG2-O 3.45Å; L511-L515 WeakPolarHBondContact O-CG 3.4Å; L511-L515 PolarHBondContact O-N 3.15Å; V512-L515 PolarHBondContact O-N 2.84Å; F513-L515 VanDerWaalsContact C-N 3.31Å; F513-L515 PolarHBondContact O-N 3.08Å
516	G	89.9	Confident	91.3	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.01	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-148.7	-54.7	-177.5	0	0	0	0	0	114	S369 F513 A514 S518 G519 I520	S369-G516 PolarHBondContact OG-N 3.09Å; F513-G516 PolarHBondContact O-N 3.07Å; A514-G516 PolarHBondContact O-N 3.3Å; A514-G516 VanDerWaalsContact O-N 3.16Å; G516-S518 VanDerWaalsContact C-N 3.28Å; G516-S518 PolarHBondContact O-N 3.13Å; G516-G519 PolarHBondContact O-N 2.74Å; G516-I520 VanDerWaalsContact O-CB 3.23Å; G516-I520 WeakPolarHBondContact O-CB 3.04Å; G516-I520 VanDerWaalsContact O-CG1 3.25Å; G516-I520 WeakPolarHBondContact O-CG1 3.4Å; G516-I520 PolarHBondContact O-N 3.06Å
517	L	91.1	Very high	91.1	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.005	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-29	-177.5	-83.6	172.4	0	0	0	113.7	I307 Q308 V366 S369 T370 F513 P521	I307-L517 HydrophobicContact CG2-CD2 4.12Å; Q308-L517 PolarHBondContact NE2-O 3.42Å; V366-L517 HydrophobicContact CG2-CD2 3.83Å; V366-L517 HydrophobicContact CG2-CG 4.26Å; S369-L517 PolarHBondContact OG-N 3.29Å; S369-L517 VanDerWaalsContact OG-N 3.08Å; T370-L517 HydrophobicContact CG2-CD1 3.66Å; T370-L517 HydrophobicContact CG2-CD2 3.67Å; T370-L517 HydrophobicContact CG2-CG 3.7Å; F513-L517 HydrophobicContact CD2-CB 3.58Å; F513-L517 HydrophobicContact CD2-CD1 3.73Å; F513-L517 HydrophobicContact CD2-CG 4.33Å; F513-L517 HydrophobicContact CE2-CB 3.51Å; F513-L517 HydrophobicContact CE2-CD1 4Å; F513-L517 HydrophobicContact CE2-CG 4.36Å; F513-L517 HydrophobicContact CG-CB 4.14Å; F513-L517 HydrophobicContact CZ-CB 4Å; F513-L517 WeakPolarHBondContact O-CA 3.46Å; F513-L517 WeakPolarHBondContact O-CB 3.03Å; F513-L517 PolarHBondContact O-N 3.26Å; L517-P521 WeakPolarHBondContact O-CD 3.26Å; L517-P521 WeakPolarHBondContact O-CG 3.34Å
518	S	89.9	Confident	91	Very high	8 Å²	8	12.2 Å²	12.2	6%	0.056	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-56.1	176	171.5	0	0	0	0	112.7	Q308 T350 F513 G516	Q308-S518 PolarHBondContact NE2-O 3.15Å; T350-S518 WeakPolarHBondContact OG1-CB 3.32Å; T350-S518 PolarHBondContact OG1-OG 3.03Å; F513-S518 PolarHBondContact O-N 3.5Å; G516-S518 VanDerWaalsContact C-N 3.28Å; G516-S518 PolarHBondContact O-N 3.13Å
519	G	88.8	Confident	90.8	Very high	4 Å²	4	8.5 Å²	8.5	4%	0.041	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-36.3	-171.2	0	0	0	0	0	116.1	N161 G516 W522 T523	N161-G519 VanDerWaalsContact OD1-CA 3.28Å; N161-G519 WeakPolarHBondContact OD1-CA 3.38Å; N161-G519 PolarHBondContact OD1-O 3.38Å; G516-G519 PolarHBondContact O-N 2.74Å; G519-W522 PolarHBondContact O-N 2.94Å; G519-W522 VanDerWaalsContact O-N 3.09Å; G519-T523 PolarHBondContact O-N 2.83Å; G519-T523 VanDerWaalsContact O-N 3.11Å
520	I	91.3	Very high	90.1	Very high	2 Å²	2	9.1 Å²	9.1	1%	0.01	5%	0.05	C	C	.	.	H	α-helix	trans	-62.8	-36.5	-170	-62	172.5	0	0	0	113.3	V357 R362 T365 V366 G516 W522 T523 V524	V357-I520 HydrophobicContact CG2-CG1 4.2Å; R362-I520 HydrophobicContact CB-CG2 4.09Å; R362-I520 HydrophobicContact CG-CG2 4.41Å; T365-I520 VanDerWaalsContact CB-CD1 3.49Å; T365-I520 HydrophobicContact CG2-CD1 3.66Å; V366-I520 HydrophobicContact CB-CB 4.49Å; V366-I520 HydrophobicContact CB-CD1 4.03Å; V366-I520 HydrophobicContact CB-CG2 4.22Å; G516-I520 VanDerWaalsContact O-CB 3.23Å; G516-I520 WeakPolarHBondContact O-CB 3.04Å; G516-I520 VanDerWaalsContact O-CG1 3.25Å; G516-I520 WeakPolarHBondContact O-CG1 3.4Å; G516-I520 PolarHBondContact O-N 3.06Å; I520-W522 VanDerWaalsContact C-N 3.31Å; I520-W522 PolarHBondContact O-N 2.74Å; I520-T523 PolarHBondContact O-N 3.33Å; I520-V524 HydrophobicContact CG2-CG2 3.62Å; I520-V524 WeakPolarHBondContact O-CB 3.13Å; I520-V524 WeakPolarHBondContact O-CG2 3.45Å; I520-V524 PolarHBondContact O-N 3.3Å
521	P	92.6	Very high	89.2	Confident	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-56.9	-40	173.1	-27.5	37.4	0	0	0	113.7	L304 Q305 Q308 L517 N525	L304-P521 HydrophobicContact CD1-CG 4.18Å; L304-P521 HydrophobicContact CD2-CB 4.38Å; L304-P521 HydrophobicContact CG-CB 3.93Å; L304-P521 HydrophobicContact CG-CG 3.94Å; Q305-P521 HydrophobicContact CG-CB 4.44Å; Q308-P521 HydrophobicContact CB-CG 4.31Å; L517-P521 WeakPolarHBondContact O-CD 3.26Å; L517-P521 WeakPolarHBondContact O-CG 3.34Å; P521-N525 WeakPolarHBondContact O-CB 3.39Å; P521-N525 PolarHBondContact O-N 3.23Å; P521-N525 VanDerWaalsContact O-N 3.13Å; P521-N525 PolarHBondContact O-ND2 3.05Å
522	W	90.6	Very high	88.3	Confident	8 Å²	8	11.9 Å²	11.9	3%	0.03	6%	0.061	C	C	.	.	H	α-helix	trans	-69.7	-42.1	175.5	-61.2	105.7	0	0	0	112	C140 P144 G519 I520 G526	C140-W522 HydrophobicContact CB-CH2 3.75Å; C140-W522 HydrophobicContact CB-CZ3 3.86Å; P144-W522 HydrophobicContact CG-CE3 4.23Å; G519-W522 PolarHBondContact O-N 2.94Å; G519-W522 VanDerWaalsContact O-N 3.09Å; I520-W522 VanDerWaalsContact C-N 3.31Å; I520-W522 PolarHBondContact O-N 2.74Å; W522-G526 PolarHBondContact O-N 3.4Å; W522-G526 VanDerWaalsContact O-N 3.15Å
523	T	90.8	Very high	87.8	Confident	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-63.1	-49.9	176.9	-72.1	0	0	0	0	112.5	L160 N161 R362 G519 I520 N525 G526 E527	L160-T523 WeakPolarHBondContact CB-OG1 3.26Å; N161-T523 PolarHBondContact OD1-OG1 3.04Å; R362-T523 HydrophobicContact CG-CG2 4.44Å; G519-T523 PolarHBondContact O-N 2.83Å; G519-T523 VanDerWaalsContact O-N 3.11Å; I520-T523 PolarHBondContact O-N 3.33Å; T523-N525 VanDerWaalsContact C-N 3.35Å; T523-N525 PolarHBondContact O-N 3.44Å; T523-G526 PolarHBondContact O-N 3.19Å; T523-G526 VanDerWaalsContact O-N 3.17Å; T523-E527 WeakPolarHBondContact O-CG 3.49Å; T523-E527 PolarHBondContact O-N 2.9Å; T523-E527 VanDerWaalsContact O-N 3.08Å
524	V	91.2	Very high	87.4	Confident	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-66.4	-37.2	-177.7	171.7	0	0	0	0	110.7	L304 R362 I520 G526 E527 I528	L304-V524 HydrophobicContact CD2-CB 3.69Å; L304-V524 HydrophobicContact CD2-CG1 3.72Å; L304-V524 HydrophobicContact CD2-CG2 4.12Å; R362-V524 HydrophobicContact CB-CG2 4.08Å; R362-V524 HydrophobicContact CG-CG2 4.04Å; I520-V524 HydrophobicContact CG2-CG2 3.62Å; I520-V524 WeakPolarHBondContact O-CB 3.13Å; I520-V524 WeakPolarHBondContact O-CG2 3.45Å; I520-V524 PolarHBondContact O-N 3.3Å; V524-G526 VanDerWaalsContact C-N 3.33Å; V524-G526 PolarHBondContact O-N 3.3Å; V524-E527 PolarHBondContact O-N 3Å; V524-E527 VanDerWaalsContact O-N 3.12Å; V524-I528 HydrophobicContact CG1-CD1 4.24Å; V524-I528 HydrophobicContact CG1-CG2 3.64Å; V524-I528 WeakPolarHBondContact O-CG1 3.46Å; V524-I528 WeakPolarHBondContact O-CG2 3.26Å; V524-I528 PolarHBondContact O-N 2.8Å
525	N	90.8	Very high	87.1	Confident	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-69	-25.7	173.9	-82	-66.6	0	0	0	114	G301 Q305 P521 T523 Y529 S541	G301-N525 WeakPolarHBondContact CA-OD1 3.46Å; G301-N525 PolarHBondContact O-ND2 3.39Å; Q305-N525 VanDerWaalsContact CG-ND2 3.29Å; Q305-N525 WeakPolarHBondContact CG-ND2 3.47Å; Q305-N525 PolarHBondContact NE2-ND2 3.1Å; P521-N525 WeakPolarHBondContact O-CB 3.39Å; P521-N525 PolarHBondContact O-N 3.23Å; P521-N525 VanDerWaalsContact O-N 3.13Å; P521-N525 PolarHBondContact O-ND2 3.05Å; T523-N525 VanDerWaalsContact C-N 3.35Å; T523-N525 PolarHBondContact O-N 3.44Å; N525-Y529 HydrophobicContact CB-CE2 4.28Å; N525-Y529 WeakPolarHBondContact O-CD2 3.21Å; N525-Y529 WeakPolarHBondContact O-CE2 3.48Å; N525-Y529 WeakPolarHBondContact OD1-CE2 3.09Å; N525-Y529 PolarHBondContact OD1-OH 3.38Å; N525-Y529 VanDerWaalsContact OD1-OH 3.1Å; N525-S541 VanDerWaalsContact CG-CB 3.48Å; N525-S541 WeakPolarHBondContact OD1-CB 3.26Å; N525-S541 PolarHBondContact OD1-OG 3.3Å
526	G	85.7	Confident	86.9	Confident	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-68.1	-41.6	165.7	0	0	0	0	0	112.2	T148 W522 T523 V524 R534	T148-G526 WeakPolarHBondContact CG2-O 3.39Å; T148-G526 WeakPolarHBondContact OG1-CA 3.44Å; T148-G526 PolarHBondContact OG1-O 3.15Å; W522-G526 PolarHBondContact O-N 3.4Å; W522-G526 VanDerWaalsContact O-N 3.15Å; T523-G526 PolarHBondContact O-N 3.19Å; T523-G526 VanDerWaalsContact O-N 3.17Å; V524-G526 VanDerWaalsContact C-N 3.33Å; V524-G526 PolarHBondContact O-N 3.3Å; G526-R534 PolarHBondContact O-NE 3.34Å
527	E	87	Confident	86.9	Confident	5 Å²	5	8.8 Å²	8.8	2%	0.023	4%	0.043	C	C	.	.	H	α-helix	trans	-73.5	-53.2	-173.7	-73.8	173.1	174	0	0	114.1	R156 R362 T523 V524 Y529 T590 I598	R156-E527 VanDerWaalsContact CD-CG 3.49Å; R156-E527 HydrophobicContact CG-CG 4.26Å; R362-E527 IonicContact CZ-OE1 2.65Å; R362-E527 IonicContact CZ-OE2 3.77Å; R362-E527 IonicContact NE-OE1 3.5Å; R362-E527 PolarHBondContact NE-OE1 3.15Å; R362-E527 IonicContact NE-OE2 3.14Å; R362-E527 PolarHBondContact NE-OE2 3.41Å; R362-E527 VanDerWaalsContact NE-OE2 3.1Å; R362-E527 IonicContact NH2-OE1 2.91Å; R362-E527 PolarHBondContact NH2-OE1 2.74Å; R362-E527 IonicContact NH2-OE2 3.1Å; T523-E527 WeakPolarHBondContact O-CG 3.49Å; T523-E527 PolarHBondContact O-N 2.9Å; T523-E527 VanDerWaalsContact O-N 3.08Å; V524-E527 PolarHBondContact O-N 3Å; V524-E527 VanDerWaalsContact O-N 3.12Å; E527-Y529 VanDerWaalsContact C-N 3.34Å; E527-Y529 PolarHBondContact O-N 3.47Å; E527-T590 VanDerWaalsContact OE2-CB 3.23Å; E527-T590 WeakPolarHBondContact OE2-CB 3.15Å; E527-T590 PolarHBondContact OE2-OG1 3.03Å; E527-I598 HydrophobicContact CB-CD1 4.47Å; E527-I598 WeakPolarHBondContact O-CD1 3.38Å
528	I	89.5	Confident	86.9	Confident	3 Å²	3	8.8 Å²	8.8	2%	0.015	4%	0.043	C	C	.	.	S	Bend	trans	-71.7	-16.1	-161.2	63.9	-175.1	0	0	0	116.4	A297 L300 V524 T590	A297-I528 HydrophobicContact CB-CB 4.32Å; A297-I528 HydrophobicContact CB-CD1 4.37Å; A297-I528 HydrophobicContact CB-CG1 4.18Å; A297-I528 WeakPolarHBondContact O-CD1 3.21Å; L300-I528 HydrophobicContact CB-CD1 4.43Å; L300-I528 HydrophobicContact CD2-CD1 4.46Å; L300-I528 HydrophobicContact CD2-CG2 4.33Å; V524-I528 HydrophobicContact CG1-CD1 4.24Å; V524-I528 HydrophobicContact CG1-CG2 3.64Å; V524-I528 WeakPolarHBondContact O-CG1 3.46Å; V524-I528 WeakPolarHBondContact O-CG2 3.26Å; V524-I528 PolarHBondContact O-N 2.8Å; I528-T590 HydrophobicContact CG2-CG2 4.06Å
529	Y	88.3	Confident	87	Confident	1 Å²	1	8.4 Å²	8.4	0%	0.004	4%	0.041	C	C	.	.	S	Bend	trans	-89.7	140.9	-175.7	-63.4	-60.9	0	0	0	112.7	L288 A297 L298 N525 E527 R534 S541	L288-Y529 HydrophobicContact CD1-CD1 4.17Å; L288-Y529 HydrophobicContact CD2-CE1 4.45Å; A297-Y529 HydrophobicContact CB-CD1 3.88Å; A297-Y529 HydrophobicContact CB-CE1 3.88Å; A297-Y529 PolarHBondContact O-OH 3.31Å; L298-Y529 HydrophobicContact CB-CE1 4.44Å; L298-Y529 HydrophobicContact CD1-CE1 4.47Å; N525-Y529 HydrophobicContact CB-CE2 4.28Å; N525-Y529 WeakPolarHBondContact O-CD2 3.21Å; N525-Y529 WeakPolarHBondContact O-CE2 3.48Å; N525-Y529 WeakPolarHBondContact OD1-CE2 3.09Å; N525-Y529 PolarHBondContact OD1-OH 3.38Å; N525-Y529 VanDerWaalsContact OD1-OH 3.1Å; E527-Y529 VanDerWaalsContact C-N 3.34Å; E527-Y529 PolarHBondContact O-N 3.47Å; Y529-R534 PolarHBondContact O-NH2 3.17Å; Y529-S541 PolarHBondContact OH-OG 3.18Å
530	P	78.7	Confident	87.2	Confident	13 Å²	13	8.8 Å²	8.8	8%	0.084	4%	0.043	C	C	.	.			trans	-67.7	152	177	32.6	-37.7	0	0	0	110.9	W532 A533 R534 E599	P530-W532 HydrophobicContact CG-CD2 4.38Å; P530-W532 HydrophobicContact CG-CZ2 3.8Å; P530-W532 PolarHBondContact O-N 3.5Å; P530-A533 HydrophobicContact CG-CB 4.36Å; P530-A533 PolarHBondContact O-N 3.01Å; P530-R534 PolarHBondContact O-N 2.68Å; P530-E599 HydrophobicContact CB-CG 4.47Å; P530-E599 WeakPolarHBondContact CB-OE1 3.08Å
531	N	73.6	Confident	87.3	Confident	56 Å²	56	8.7 Å²	8.7	30%	0.299	4%	0.043	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-37.2	-171.3	-75.8	-46.3	0	0	0	114	A533 R534 I595 D596	N531-A533 VanDerWaalsContact C-N 3.33Å; N531-A533 PolarHBondContact O-N 3.07Å; N531-R534 VanDerWaalsContact OD1-CZ 3.29Å; N531-R534 PolarHBondContact OD1-NH1 3.44Å; N531-R534 PolarHBondContact OD1-NH2 3.02Å; N531-I595 WeakPolarHBondContact ND2-CG2 3.18Å; N531-I595 WeakPolarHBondContact OD1-CG2 3.44Å; N531-D596 PolarHBondContact ND2-OD1 3.28Å
532	W	74.5	Confident	87.3	Confident	64 Å²	64	8.7 Å²	8.7	24%	0.242	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-13.1	-177.4	59.1	-95.6	0	0	0	114.5	F280 A287 P530	F280-W532 HydrophobicContact CD2-CB 4.34Å; F280-W532 HydrophobicContact CE2-CB 3.93Å; F280-W532 HydrophobicContact CZ-CB 4.32Å; A287-W532 HydrophobicContact CB-CE3 4.49Å; A287-W532 HydrophobicContact CB-CH2 3.77Å; A287-W532 HydrophobicContact CB-CZ3 3.47Å; A287-W532 VanDerWaalsContact CB-CZ3 3.47Å; P530-W532 HydrophobicContact CG-CD2 4.38Å; P530-W532 HydrophobicContact CG-CZ2 3.8Å; P530-W532 PolarHBondContact O-N 3.5Å
533	A	80.5	Confident	87.5	Confident	1 Å²	1	11.4 Å²	11.4	1%	0.008	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.9	4.7	178.5	0	0	0	0	0	114.8	L288 P530 N531 S535 M536 G537	L288-A533 HydrophobicContact CB-CB 4.42Å; L288-A533 HydrophobicContact CD1-CB 4.02Å; P530-A533 HydrophobicContact CG-CB 4.36Å; P530-A533 PolarHBondContact O-N 3.01Å; N531-A533 VanDerWaalsContact C-N 3.33Å; N531-A533 PolarHBondContact O-N 3.07Å; A533-S535 PolarHBondContact O-N 3.47Å; A533-M536 PolarHBondContact O-N 3.49Å; A533-M536 VanDerWaalsContact O-N 3.1Å; A533-G537 PolarHBondContact O-N 2.89Å
534	R	86.2	Confident	87.7	Confident	1 Å²	1	13 Å²	13	0%	0.004	7%	0.065	C	C	.	.	H	α-helix	trans	-52.1	-50.1	-173.5	-178.6	177.5	-65.4	109.3	10.4	114	P145 E149 G526 Y529 P530 N531 M536 G537 N538 I595	P145-R534 HydrophobicContact CB-CG 4.06Å; P145-R534 HydrophobicContact CG-CG 4.31Å; E149-R534 VanDerWaalsContact CG-NH1 3.31Å; E149-R534 IonicContact OE1-NH1 2.68Å; E149-R534 PolarHBondContact OE1-NH1 3.44Å; G526-R534 PolarHBondContact O-NE 3.34Å; Y529-R534 PolarHBondContact O-NH2 3.17Å; P530-R534 PolarHBondContact O-N 2.68Å; N531-R534 VanDerWaalsContact OD1-CZ 3.29Å; N531-R534 PolarHBondContact OD1-NH1 3.44Å; N531-R534 PolarHBondContact OD1-NH2 3.02Å; R534-M536 VanDerWaalsContact C-N 3.33Å; R534-M536 PolarHBondContact O-N 2.9Å; R534-G537 PolarHBondContact O-N 3.07Å; R534-N538 WeakPolarHBondContact O-CB 3.39Å; R534-N538 PolarHBondContact O-N 3.17Å; R534-I595 VanDerWaalsContact NH2-CG2 3.27Å
535	S	86.9	Confident	87.7	Confident	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-64	-37.3	-179.3	-72.3	0	0	0	0	112.4	D94 R98 A533 S539	D94-S535 VanDerWaalsContact OD1-CB 3.29Å; D94-S535 WeakPolarHBondContact OD1-CB 3.27Å; D94-S535 PolarHBondContact OD1-OG 3.2Å; R98-S535 PolarHBondContact NH2-OG 3.46Å; A533-S535 PolarHBondContact O-N 3.47Å; S535-S539 VanDerWaalsContact O-CB 3.3Å; S535-S539 WeakPolarHBondContact O-CB 3.27Å; S535-S539 PolarHBondContact O-N 2.94Å; S535-S539 VanDerWaalsContact O-N 3.08Å; S535-S539 PolarHBondContact O-OG 3.18Å
536	M	86.8	Confident	87.8	Confident	18 Å²	18	14 Å²	14	9%	0.089	7%	0.07	C	C	.	.	H	α-helix	trans	-71.3	-43.6	175.8	-71.9	-92.5	69.2	0	0	112.5	R91 F285 A533 R534 S539 A540	R91-M536 HydrophobicContact CG-CE 4Å; R91-M536 HydrophobicContact CG-SD 4.06Å; F285-M536 HydrophobicContact CB-SD 4.04Å; A533-M536 PolarHBondContact O-N 3.49Å; A533-M536 VanDerWaalsContact O-N 3.1Å; R534-M536 VanDerWaalsContact C-N 3.33Å; R534-M536 PolarHBondContact O-N 2.9Å; M536-S539 PolarHBondContact O-N 3.49Å; M536-A540 PolarHBondContact O-N 2.67Å
537	G	89.8	Confident	88.1	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.9	-48.2	176.3	0	0	0	0	0	112.3	A533 R534 S539 A540 S541	A533-G537 PolarHBondContact O-N 2.89Å; R534-G537 PolarHBondContact O-N 3.07Å; G537-S539 VanDerWaalsContact C-N 3.29Å; G537-S539 PolarHBondContact O-N 2.86Å; G537-A540 PolarHBondContact O-N 3.37Å; G537-S541 PolarHBondContact O-N 3.24Å
538	N	91.6	Very high	88.3	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-63.3	-35.7	176.7	-172.5	68.1	0	0	0	112.1	C140 A141 P145 R534 S542	C140-N538 PolarHBondContact O-ND2 3.16Å; A141-N538 PolarHBondContact O-ND2 2.98Å; P145-N538 HydrophobicContact CG-CB 3.92Å; R534-N538 WeakPolarHBondContact O-CB 3.39Å; R534-N538 PolarHBondContact O-N 3.17Å; N538-S542 VanDerWaalsContact O-CB 3.25Å; N538-S542 WeakPolarHBondContact O-CB 3.45Å; N538-S542 PolarHBondContact O-N 3.23Å; N538-S542 PolarHBondContact O-OG 3.11Å
539	S	92.6	Very high	88.3	Confident	1 Å²	1	19.1 Å²	19.1	1%	0.007	9%	0.094	C	C	.	.	H	α-helix	trans	-64.4	-44.4	175.6	-62.1	0	0	0	0	112.2	T86 G90 S535 M536 G537 S542 F543	T86-S539 WeakPolarHBondContact O-CB 3.47Å; G90-S539 WeakPolarHBondContact CA-OG 3.31Å; G90-S539 PolarHBondContact N-OG 3.12Å; S535-S539 VanDerWaalsContact O-CB 3.3Å; S535-S539 WeakPolarHBondContact O-CB 3.27Å; S535-S539 PolarHBondContact O-N 2.94Å; S535-S539 VanDerWaalsContact O-N 3.08Å; S535-S539 PolarHBondContact O-OG 3.18Å; M536-S539 PolarHBondContact O-N 3.49Å; G537-S539 VanDerWaalsContact C-N 3.29Å; G537-S539 PolarHBondContact O-N 2.86Å; S539-S542 PolarHBondContact O-N 3.34Å; S539-F543 WeakPolarHBondContact O-CB 3.21Å; S539-F543 PolarHBondContact O-N 2.92Å
540	A	92.3	Very high	88.3	Confident	11 Å²	11	20 Å²	20	9%	0.091	10%	0.099	C	C	.	.	H	α-helix	trans	-63.8	-43.5	177.5	0	0	0	0	0	112.3	F285 L298 M536 G537 F543 V544	F285-A540 HydrophobicContact CE2-CB 4.04Å; L298-A540 HydrophobicContact CD1-CB 3.84Å; M536-A540 PolarHBondContact O-N 2.67Å; G537-A540 PolarHBondContact O-N 3.37Å; A540-F543 WeakPolarHBondContact O-CB 3.42Å; A540-F543 PolarHBondContact O-N 2.96Å; A540-V544 WeakPolarHBondContact O-CG2 3.17Å; A540-V544 PolarHBondContact O-N 2.65Å
541	S	93.6	Very high	88.8	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-67.2	-37.4	175	-70	0	0	0	0	112.9	G301 C302 Q305 N525 Y529 G537 V544 N545	G301-S541 VanDerWaalsContact C-OG 3.25Å; C302-S541 PolarHBondContact N-OG 2.93Å; Q305-S541 WeakPolarHBondContact CG-O 3.43Å; N525-S541 VanDerWaalsContact CG-CB 3.48Å; N525-S541 WeakPolarHBondContact OD1-CB 3.26Å; N525-S541 PolarHBondContact OD1-OG 3.3Å; Y529-S541 PolarHBondContact OH-OG 3.18Å; G537-S541 PolarHBondContact O-N 3.24Å; S541-V544 PolarHBondContact O-N 3.17Å; S541-N545 PolarHBondContact O-N 2.03Å
542	S	92.8	Very high	89.4	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-66.1	-37.8	173.9	-57.5	0	0	0	0	111.7	N538 S539 N545 I546	N538-S542 VanDerWaalsContact O-CB 3.25Å; N538-S542 WeakPolarHBondContact O-CB 3.45Å; N538-S542 PolarHBondContact O-N 3.23Å; N538-S542 PolarHBondContact O-OG 3.11Å; S539-S542 PolarHBondContact O-N 3.34Å; S542-N545 WeakPolarHBondContact O-CB 3.45Å; S542-N545 PolarHBondContact O-N 2.92Å; S542-I546 WeakPolarHBondContact O-CG1 3.18Å; S542-I546 PolarHBondContact O-N 3.12Å
543	F	94.2	Very high	89.8	Confident	65 Å²	65	16.7 Å²	16.7	29%	0.285	9%	0.087	S	C	.	.	H	α-helix	trans	-60.8	-47.6	172.5	169.7	-98.2	0	0	0	111.5	A83 T86 L87 S539 A540 N545 I546 F547	A83-F543 HydrophobicContact CB-CD2 4.47Å; A83-F543 HydrophobicContact CB-CE2 4.37Å; A83-F543 WeakPolarHBondContact O-CD2 3.19Å; T86-F543 WeakPolarHBondContact OG1-CA 3.4Å; L87-F543 HydrophobicContact CB-CD2 4.33Å; L87-F543 HydrophobicContact CD1-CG 4.5Å; S539-F543 WeakPolarHBondContact O-CB 3.21Å; S539-F543 PolarHBondContact O-N 2.92Å; A540-F543 WeakPolarHBondContact O-CB 3.42Å; A540-F543 PolarHBondContact O-N 2.96Å; F543-N545 PolarHBondContact O-N 2.84Å; F543-I546 PolarHBondContact O-N 3.03Å; F543-F547 HydrophobicContact CZ-CB 4.49Å; F543-F547 HydrophobicContact CZ-CD2 4.46Å; F543-F547 VanDerWaalsContact O-CB 3.22Å; F543-F547 WeakPolarHBondContact O-CB 3.11Å; F543-F547 PolarHBondContact O-N 3.15Å
544	V	94.2	Very high	89.9	Confident	35 Å²	35	19.8 Å²	19.8	21%	0.212	10%	0.104	C	C	.	.	H	α-helix	trans	-60.3	-35.6	175.7	171.4	0	0	0	0	111.8	C302 L306 A540 S541 G548	C302-V544 HydrophobicContact CB-CB 4.44Å; C302-V544 HydrophobicContact CB-CG1 4.33Å; C302-V544 HydrophobicContact CB-CG2 4.11Å; C302-V544 WeakPolarHBondContact O-CG1 3.26Å; L306-V544 HydrophobicContact CB-CG1 3.92Å; A540-V544 WeakPolarHBondContact O-CG2 3.17Å; A540-V544 PolarHBondContact O-N 2.65Å; S541-V544 PolarHBondContact O-N 3.17Å; V544-G548 PolarHBondContact O-N 3.17Å
545	N	93.1	Very high	89.8	Confident	10 Å²	10	22.2 Å²	22.2	5%	0.053	12%	0.118	C	C	.	.	H	α-helix	trans	-61.7	-57.3	173	-168.4	-78.6	0	0	0	111.9	Q305 Q308 Q309 S541 S542 F543 F547 G548 C549	Q305-N545 HydrophobicContact CB-CB 4Å; Q305-N545 HydrophobicContact CG-CB 4.35Å; Q305-N545 PolarHBondContact OE1-ND2 3Å; Q308-N545 PolarHBondContact OE1-ND2 3.21Å; Q309-N545 WeakPolarHBondContact CG-O 3.48Å; Q309-N545 PolarHBondContact NE2-OD1 3.08Å; S541-N545 PolarHBondContact O-N 2.03Å; S542-N545 WeakPolarHBondContact O-CB 3.45Å; S542-N545 PolarHBondContact O-N 2.92Å; F543-N545 PolarHBondContact O-N 2.84Å; N545-F547 VanDerWaalsContact C-N 3.31Å; N545-F547 PolarHBondContact O-N 3.39Å; N545-G548 PolarHBondContact O-N 3.31Å; N545-G548 VanDerWaalsContact O-N 3.15Å; N545-C549 PolarHBondContact O-N 3.46Å
546	I	91.9	Very high	89.6	Confident	9 Å²	9	22.5 Å²	22.5	5%	0.046	12%	0.12	C	C	.	.	H	α-helix	trans	-66.8	-35.3	-175.4	-61.2	-169.1	0	0	0	111.1	V79 A82 A83 T86 L136 S542 F543 C549 L550	V79-I546 HydrophobicContact CG1-CG2 3.6Å; V79-I546 WeakPolarHBondContact CG1-O 3.31Å; V79-I546 VanDerWaalsContact O-CG2 3.28Å; V79-I546 WeakPolarHBondContact O-CG2 3.14Å; A82-I546 HydrophobicContact CB-CD1 3.69Å; A82-I546 HydrophobicContact CB-CG2 4Å; A83-I546 HydrophobicContact CB-CG2 3.95Å; T86-I546 HydrophobicContact CG2-CD1 3.45Å; T86-I546 VanDerWaalsContact CG2-CD1 3.45Å; T86-I546 HydrophobicContact CG2-CG1 4.32Å; L136-I546 HydrophobicContact CD2-CD1 3.76Å; S542-I546 WeakPolarHBondContact O-CG1 3.18Å; S542-I546 PolarHBondContact O-N 3.12Å; F543-I546 PolarHBondContact O-N 3.03Å; I546-C549 WeakPolarHBondContact O-CB 3.46Å; I546-C549 PolarHBondContact O-N 3.4Å; I546-L550 PolarHBondContact O-N 3Å
547	F	91.8	Very high	88.9	Confident	104 Å²	104	24.5 Å²	24.5	46%	0.456	13%	0.13	S	C	.	.	H	α-helix	trans	-65.1	-42.6	172.6	-174.1	-98.2	0	0	0	112.3	F543 N545 C549 L550 V551	F543-F547 HydrophobicContact CZ-CB 4.49Å; F543-F547 HydrophobicContact CZ-CD2 4.46Å; F543-F547 VanDerWaalsContact O-CB 3.22Å; F543-F547 WeakPolarHBondContact O-CB 3.11Å; F543-F547 PolarHBondContact O-N 3.15Å; N545-F547 VanDerWaalsContact C-N 3.31Å; N545-F547 PolarHBondContact O-N 3.39Å; F547-C549 VanDerWaalsContact C-N 3.31Å; F547-C549 PolarHBondContact O-N 2.96Å; F547-L550 WeakPolarHBondContact O-CB 3.25Å; F547-L550 PolarHBondContact O-N 2.9Å; F547-V551 HydrophobicContact CD1-CG2 4.1Å; F547-V551 HydrophobicContact CE1-CG2 3.67Å; F547-V551 HydrophobicContact CE2-CG2 4.49Å; F547-V551 HydrophobicContact CZ-CG2 3.89Å; F547-V551 WeakPolarHBondContact O-CG2 3.5Å; F547-V551 PolarHBondContact O-N 3.42Å
548	G	91.3	Very high	88.4	Confident	3 Å²	3	27.6 Å²	27.6	3%	0.031	15%	0.152	C	C	.	.	H	α-helix	trans	-60.5	-39.4	173.9	0	0	0	0	0	112.7	V544 N545 V551 T552	V544-G548 PolarHBondContact O-N 3.17Å; N545-G548 PolarHBondContact O-N 3.31Å; N545-G548 VanDerWaalsContact O-N 3.15Å; G548-V551 PolarHBondContact O-N 3.15Å; G548-T552 WeakPolarHBondContact O-CG2 3.29Å; G548-T552 PolarHBondContact O-N 3.36Å; G548-T552 PolarHBondContact O-OG1 3.16Å
549	C	90.5	Very high	88	Confident	10 Å²	10	29.6 Å²	29.6	7%	0.068	16%	0.162	C	C	.	.	H	α-helix	trans	-63	-43.6	173	-176.1	0	0	0	0	112	V79 Q309 N545 I546 F547 T552 T553	V79-C549 HydrophobicContact CG1-CB 4.18Å; Q309-C549 HydrophobicContact CG-CB 4.37Å; N545-C549 PolarHBondContact O-N 3.46Å; I546-C549 WeakPolarHBondContact O-CB 3.46Å; I546-C549 PolarHBondContact O-N 3.4Å; F547-C549 VanDerWaalsContact C-N 3.31Å; F547-C549 PolarHBondContact O-N 2.96Å; C549-T552 PolarHBondContact O-OG1 3.26Å; C549-T553 WeakPolarHBondContact O-CB 3.26Å; C549-T553 WeakPolarHBondContact O-CG2 3.34Å; C549-T553 PolarHBondContact O-N 2.97Å; C549-T553 PolarHBondContact O-OG1 3.32Å
550	L	88	Confident	87.5	Confident	19 Å²	19	29.8 Å²	29.8	10%	0.099	16%	0.164	C	C	.	.	H	α-helix	trans	-61.5	-46.4	176.4	-177.5	63.8	0	0	0	111.7	V79 F80 I546 F547 T553 L554	V79-L550 HydrophobicContact CG1-CB 3.93Å; F80-L550 HydrophobicContact CB-CD1 4.5Å; F80-L550 HydrophobicContact CD2-CD2 4.21Å; I546-L550 PolarHBondContact O-N 3Å; F547-L550 WeakPolarHBondContact O-CB 3.25Å; F547-L550 PolarHBondContact O-N 2.9Å; L550-T553 PolarHBondContact O-OG1 3.32Å; L550-L554 HydrophobicContact CD1-CD1 3.77Å; L550-L554 HydrophobicContact CD1-CG 4.12Å; L550-L554 HydrophobicContact CG-CD1 3.89Å; L550-L554 WeakPolarHBondContact O-CB 3.39Å; L550-L554 VanDerWaalsContact O-CG 3.29Å; L550-L554 WeakPolarHBondContact O-CG 3.44Å; L550-L554 PolarHBondContact O-N 3.24Å
551	V	88.3	Confident	86.7	Confident	60 Å²	60	33.8 Å²	33.8	36%	0.364	19%	0.187	S	C	.	.	H	α-helix	trans	-63.1	-48.2	179.6	171.8	0	0	0	0	111.3	F547 G548 T555	F547-V551 HydrophobicContact CD1-CG2 4.1Å; F547-V551 HydrophobicContact CE1-CG2 3.67Å; F547-V551 HydrophobicContact CE2-CG2 4.49Å; F547-V551 HydrophobicContact CZ-CG2 3.89Å; F547-V551 WeakPolarHBondContact O-CG2 3.5Å; F547-V551 PolarHBondContact O-N 3.42Å; G548-V551 PolarHBondContact O-N 3.15Å; V551-T555 HydrophobicContact CG1-CG2 4.4Å; V551-T555 WeakPolarHBondContact O-CB 3.48Å; V551-T555 WeakPolarHBondContact O-CG2 3.32Å; V551-T555 PolarHBondContact O-N 3.18Å; V551-T555 VanDerWaalsContact O-N 3.08Å; V551-T555 PolarHBondContact O-OG1 2.91Å
552	T	87.5	Confident	86.2	Confident	3 Å²	3	37.7 Å²	37.7	2%	0.018	22%	0.22	C	C	.	.	H	α-helix	trans	-66.2	-41.6	-178.1	52.2	0	0	0	0	112.1	L310 C315 G548 C549 T555 F556	L310-T552 HydrophobicContact CD2-CG2 4.5Å; C315-T552 PolarHBondContact SG-O 3Å; C315-T552 VanDerWaalsContact SG-O 3.38Å; G548-T552 WeakPolarHBondContact O-CG2 3.29Å; G548-T552 PolarHBondContact O-N 3.36Å; G548-T552 PolarHBondContact O-OG1 3.16Å; C549-T552 PolarHBondContact O-OG1 3.26Å; T552-T555 PolarHBondContact O-N 3.23Å; T552-T555 PolarHBondContact O-OG1 3.31Å; T552-F556 WeakPolarHBondContact O-CB 3.4Å; T552-F556 PolarHBondContact O-N 3.14Å
553	T	82.5	Confident	85.8	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-68.3	-40.3	179.9	54.2	0	0	0	0	113.3	A314 F318 Y319 C549 L550	A314-T553 HydrophobicContact CB-CG2 3.74Å; F318-T553 HydrophobicContact CD2-CG2 3.39Å; F318-T553 HydrophobicContact CE2-CG2 3.66Å; F318-T553 HydrophobicContact CG-CG2 4.3Å; Y319-T553 PolarHBondContact OH-O 3.02Å; C549-T553 WeakPolarHBondContact O-CB 3.26Å; C549-T553 WeakPolarHBondContact O-CG2 3.34Å; C549-T553 PolarHBondContact O-N 2.97Å; C549-T553 PolarHBondContact O-OG1 3.32Å; L550-T553 PolarHBondContact O-OG1 3.32Å
554	L	81.1	Confident	85.4	Confident	67 Å²	67	41 Å²	41	35%	0.351	24%	0.242	S	C	.	.	H	α-helix	trans	-67.5	-38.9	175.1	-72.1	173.9	0	0	0	112.7	S76 L550	S76-L554 WeakPolarHBondContact OG-CD2 3.32Å; L550-L554 HydrophobicContact CD1-CD1 3.77Å; L550-L554 HydrophobicContact CD1-CG 4.12Å; L550-L554 HydrophobicContact CG-CD1 3.89Å; L550-L554 WeakPolarHBondContact O-CB 3.39Å; L550-L554 VanDerWaalsContact O-CG 3.29Å; L550-L554 WeakPolarHBondContact O-CG 3.44Å; L550-L554 PolarHBondContact O-N 3.24Å
555	T	84.6	Confident	85	Confident	51 Å²	51	40 Å²	40	31%	0.313	23%	0.234	S	C	.	.	H	α-helix	trans	-85.5	-22.9	-171.6	58.2	0	0	0	0	114.1	V551 T552 L557 S558 L559	V551-T555 HydrophobicContact CG1-CG2 4.4Å; V551-T555 WeakPolarHBondContact O-CB 3.48Å; V551-T555 WeakPolarHBondContact O-CG2 3.32Å; V551-T555 PolarHBondContact O-N 3.18Å; V551-T555 VanDerWaalsContact O-N 3.08Å; V551-T555 PolarHBondContact O-OG1 2.91Å; T552-T555 PolarHBondContact O-N 3.23Å; T552-T555 PolarHBondContact O-OG1 3.31Å; T555-L557 PolarHBondContact O-N 2.91Å; T555-S558 PolarHBondContact O-N 2.92Å; T555-L559 VanDerWaalsContact O-CD1 3.26Å; T555-L559 WeakPolarHBondContact O-CD1 3.09Å; T555-L559 PolarHBondContact O-N 2.96Å
556	F	82.8	Confident	84.9	Confident	6 Å²	6	40.8 Å²	40.8	3%	0.026	24%	0.237	C	C	.	.	H	α-helix	trans	-49.1	-53.7	-174.5	174.7	-111.7	0	0	0	114.3	C315 Y319 M326 T552 L559 S560 V568 Y569	C315-F556 HydrophobicContact CB-CB 4.23Å; C315-F556 HydrophobicContact CB-CD1 4.48Å; C315-F556 HydrophobicContact CB-CD2 3.67Å; C315-F556 HydrophobicContact CB-CE2 4.12Å; C315-F556 HydrophobicContact CB-CG 3.87Å; Y319-F556 AromaticContact CD2-CD1 3.41Å; Y319-F556 HydrophobicContact CD2-CD1 3.41Å; Y319-F556 VanDerWaalsContact CD2-CD1 3.41Å; Y319-F556 AromaticContact CD2-CE1 3.84Å; Y319-F556 HydrophobicContact CD2-CE1 3.84Å; Y319-F556 HydrophobicContact CD2-CG 4.2Å; Y319-F556 HydrophobicContact CE2-CB 4.19Å; Y319-F556 AromaticContact CE2-CD1 3.68Å; Y319-F556 HydrophobicContact CE2-CD1 3.68Å; Y319-F556 HydrophobicContact CE2-CG 4.28Å; Y319-F556 HydrophobicContact CG-CD1 4.06Å; Y319-F556 HydrophobicContact CG-CE1 4.11Å; M326-F556 HydrophobicContact CE-CE1 4.48Å; T552-F556 WeakPolarHBondContact O-CB 3.4Å; T552-F556 PolarHBondContact O-N 3.14Å; F556-L559 PolarHBondContact O-N 3.4Å; F556-S560 PolarHBondContact O-N 3.46Å; F556-V568 HydrophobicContact CD2-CG1 4.25Å; F556-Y569 HydrophobicContact CE2-CE1 4.4Å; F556-Y569 AromaticContact CE2-CZ 3.99Å; F556-Y569 WeakPolarHBondContact CZ-OH 3.44Å
557	L	73.6	Confident	84.8	Confident	60 Å²	60	41 Å²	41	31%	0.314	24%	0.241	S	C	.	.	H	α-helix	trans	-68.1	-40	-175.5	-166.3	64	0	0	0	111.2	T68 T555 S560 T561	T68-L557 HydrophobicContact CG2-CD2 3.55Å; T555-L557 PolarHBondContact O-N 2.91Å; L557-S560 WeakPolarHBondContact O-CB 3.44Å; L557-S560 PolarHBondContact O-N 3.32Å; L557-S560 PolarHBondContact O-OG 3.15Å; L557-T561 PolarHBondContact O-N 3.26Å; L557-T561 PolarHBondContact O-OG1 2.78Å
558	S	78.4	Confident	84.8	Confident	66 Å²	66	36 Å²	36	46%	0.462	22%	0.219	S	C	.	.	H	α-helix	trans	-67.1	-37	177.2	-53.4	0	0	0	0	113.2	T555 S560 T561 A562	T555-S558 PolarHBondContact O-N 2.92Å; S558-S560 VanDerWaalsContact C-N 3.33Å; S558-T561 PolarHBondContact O-OG1 3.1Å; S558-A562 WeakPolarHBondContact O-CB 3.32Å; S558-A562 PolarHBondContact O-N 3.05Å; S558-A562 VanDerWaalsContact O-N 3.14Å
559	L	84	Confident	84.9	Confident	41 Å²	41	36 Å²	36	22%	0.215	22%	0.219	C	C	.	.	H	α-helix	trans	-67.5	-35.6	171.1	-93.1	83.1	0	0	0	111.4	T555 F556 T561 A562 I563 V568 L571	T555-L559 VanDerWaalsContact O-CD1 3.26Å; T555-L559 WeakPolarHBondContact O-CD1 3.09Å; T555-L559 PolarHBondContact O-N 2.96Å; F556-L559 PolarHBondContact O-N 3.4Å; L559-T561 VanDerWaalsContact C-N 3.3Å; L559-T561 PolarHBondContact O-N 2.85Å; L559-A562 PolarHBondContact O-N 3.41Å; L559-I563 HydrophobicContact CD2-CD1 4.11Å; L559-I563 HydrophobicContact CG-CD1 4.26Å; L559-I563 PolarHBondContact O-N 3.35Å; L559-V568 HydrophobicContact CB-CG1 4.15Å; L559-V568 HydrophobicContact CB-CG2 3.79Å; L559-V568 HydrophobicContact CD2-CG1 4.34Å; L559-L571 HydrophobicContact CD2-CD2 3.64Å
560	S	80.2	Confident	85.1	Confident	6 Å²	6	39.6 Å²	39.6	4%	0.042	23%	0.231	C	C	.	.	H	α-helix	trans	-64.5	-35.8	-179.5	80.3	0	0	0	0	112.5	Y425 F556 L557 S558 T564	Y425-S560 WeakPolarHBondContact CE1-O 3.28Å; F556-S560 PolarHBondContact O-N 3.46Å; L557-S560 WeakPolarHBondContact O-CB 3.44Å; L557-S560 PolarHBondContact O-N 3.32Å; L557-S560 PolarHBondContact O-OG 3.15Å; S558-S560 VanDerWaalsContact C-N 3.33Å; S560-T564 CarbonylContact O-C 3.6Å; S560-T564 VanDerWaalsContact O-C 3.25Å; S560-T564 WeakPolarHBondContact O-CA 3.29Å; S560-T564 PolarHBondContact O-N 3.08Å
561	T	77.2	Confident	85.3	Confident	94 Å²	94	42.1 Å²	42.1	58%	0.577	25%	0.245	S	C	*	.	H	α-helix	trans	-75.9	-31.4	172.5	48.1	0	0	0	0	113	Y425 L557 S558 L559	Y425-T561 HydrophobicContact CD1-CG2 4.43Å; L557-T561 PolarHBondContact O-N 3.26Å; L557-T561 PolarHBondContact O-OG1 2.78Å; S558-T561 PolarHBondContact O-OG1 3.1Å; L559-T561 VanDerWaalsContact C-N 3.3Å; L559-T561 PolarHBondContact O-N 2.85Å
562	A	81.8	Confident	85.6	Confident	83 Å²	83	39.7 Å²	39.7	69%	0.686	23%	0.229	S	C	*	.	H	α-helix	trans	-83.8	-32.2	-175.7	0	0	0	0	0	114.5	S558 L559	S558-A562 WeakPolarHBondContact O-CB 3.32Å; S558-A562 PolarHBondContact O-N 3.05Å; S558-A562 VanDerWaalsContact O-N 3.14Å; L559-A562 PolarHBondContact O-N 3.41Å
563	I	84.3	Confident	85.8	Confident	84 Å²	84	39.9 Å²	39.9	43%	0.431	23%	0.23	S	C	.	.	H	α-helix	trans	-116.9	-10.8	-174.2	-41.8	-179.5	0	0	0	112.3	L559	L559-I563 HydrophobicContact CD2-CD1 4.11Å; L559-I563 HydrophobicContact CG-CD1 4.26Å; L559-I563 PolarHBondContact O-N 3.35Å
564	T	86.9	Confident	86.4	Confident	51 Å²	51	42.4 Å²	42.4	31%	0.313	25%	0.252	S	S	.	.			trans	79.5	153.6	-156.7	73.3	0	0	0	0	114.3	S560 Q566 G567 V568	S560-T564 CarbonylContact O-C 3.6Å; S560-T564 VanDerWaalsContact O-C 3.25Å; S560-T564 WeakPolarHBondContact O-CA 3.29Å; S560-T564 PolarHBondContact O-N 3.08Å; T564-Q566 VanDerWaalsContact C-N 3.35Å; T564-Q566 PolarHBondContact O-N 3.46Å; T564-Q566 WeakPolarHBondContact OG1-CG 3.26Å; T564-Q566 PolarHBondContact OG1-NE2 2.83Å; T564-G567 PolarHBondContact O-N 3.34Å; T564-G567 VanDerWaalsContact O-N 3.08Å; T564-G567 PolarHBondContact OG1-N 3.42Å; T564-V568 WeakPolarHBondContact O-CG2 3.43Å; T564-V568 PolarHBondContact O-N 3.15Å
565	R	86.1	Confident	86.9	Confident	13 Å²	13	42.2 Å²	42.2	5%	0.049	25%	0.251	C	S	.	.	H	α-helix	trans	-51.5	-49.8	177.9	-68.5	164.4	-172.8	144.1	0.2	111.9	F384 D421 S424 Y425 G567 V568 Y569	F384-R565 HydrophobicContact CB-CB 4.25Å; F384-R565 HydrophobicContact CD1-CB 3.98Å; F384-R565 HydrophobicContact CG-CB 4.01Å; D421-R565 IonicContact OD1-NH1 2.64Å; D421-R565 PolarHBondContact OD1-NH1 3.45Å; S424-R565 PolarHBondContact O-NH2 2.98Å; S424-R565 VanDerWaalsContact O-NH2 3.16Å; S424-R565 PolarHBondContact OG-NH1 2.53Å; S424-R565 PolarHBondContact OG-NH2 3.43Å; Y425-R565 HydrophobicContact CE1-CG 3.83Å; Y425-R565 WeakPolarHBondContact OH-CG 3.47Å; Y425-R565 PolarHBondContact OH-N 3.37Å; Y425-R565 VanDerWaalsContact OH-N 3.15Å; R565-G567 VanDerWaalsContact C-N 3.33Å; R565-G567 PolarHBondContact O-N 2.65Å; R565-V568 PolarHBondContact O-N 3.24Å; R565-Y569 WeakPolarHBondContact O-CD2 3.44Å
566	Q	90.4	Very high	87.2	Confident	27 Å²	27	39.9 Å²	39.9	13%	0.126	24%	0.236	C	C	.	.	H	α-helix	trans	-61.3	-38.2	178.6	57.7	-82.3	17.6	0	0	112.6	G381 F384 T564 V568 Y569 Y570	G381-Q566 WeakPolarHBondContact O-CB 3.39Å; F384-Q566 HydrophobicContact CB-CB 4.01Å; T564-Q566 VanDerWaalsContact C-N 3.35Å; T564-Q566 PolarHBondContact O-N 3.46Å; T564-Q566 WeakPolarHBondContact OG1-CG 3.26Å; T564-Q566 PolarHBondContact OG1-NE2 2.83Å; Q566-V568 VanDerWaalsContact C-N 3.35Å; Q566-V568 PolarHBondContact O-N 3.47Å; Q566-Y569 PolarHBondContact O-N 3.07Å; Q566-Y570 HydrophobicContact CB-CE2 4.03Å; Q566-Y570 HydrophobicContact CG-CE2 4.32Å; Q566-Y570 VanDerWaalsContact O-CD2 3.27Å; Q566-Y570 WeakPolarHBondContact O-CD2 3.07Å; Q566-Y570 PolarHBondContact O-N 2.86Å
567	G	90.4	Very high	87.6	Confident	12 Å²	12	42 Å²	42	12%	0.124	26%	0.255	C	S	.	.	H	α-helix	trans	-60.7	-39.3	177.5	0	0	0	0	0	113.6	T564 R565 Y569 Y570 L571	T564-G567 PolarHBondContact O-N 3.34Å; T564-G567 VanDerWaalsContact O-N 3.08Å; T564-G567 PolarHBondContact OG1-N 3.42Å; R565-G567 VanDerWaalsContact C-N 3.33Å; R565-G567 PolarHBondContact O-N 2.65Å; G567-Y569 PolarHBondContact O-N 2.92Å; G567-Y570 PolarHBondContact O-N 3.22Å; G567-L571 PolarHBondContact O-N 3.33Å
568	V	91.7	Very high	88.5	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63	-42.2	176.9	-166.4	0	0	0	0	111.6	F556 L559 T564 R565 Q566 L571 Y572	F556-V568 HydrophobicContact CD2-CG1 4.25Å; L559-V568 HydrophobicContact CB-CG1 4.15Å; L559-V568 HydrophobicContact CB-CG2 3.79Å; L559-V568 HydrophobicContact CD2-CG1 4.34Å; T564-V568 WeakPolarHBondContact O-CG2 3.43Å; T564-V568 PolarHBondContact O-N 3.15Å; R565-V568 PolarHBondContact O-N 3.24Å; Q566-V568 VanDerWaalsContact C-N 3.35Å; Q566-V568 PolarHBondContact O-N 3.47Å; V568-L571 WeakPolarHBondContact O-CB 3.25Å; V568-L571 PolarHBondContact O-N 3.44Å; V568-Y572 HydrophobicContact CG1-CD2 4.13Å; V568-Y572 HydrophobicContact CG1-CE2 3.6Å; V568-Y572 WeakPolarHBondContact O-CD2 3.49Å; V568-Y572 PolarHBondContact O-N 2.89Å; V568-Y572 VanDerWaalsContact O-N 3.08Å
569	Y	92.2	Very high	89.1	Confident	4 Å²	4	41.8 Å²	41.8	2%	0.016	25%	0.254	C	S	.	.	H	α-helix	trans	-70.6	-38.5	177.6	-64.4	-66.1	0	0	0	111.8	V316 V377 M380 F384 F556 R565 Q566 G567 L571 Y572 A573	V316-Y569 HydrophobicContact CG2-CE1 4.44Å; V377-Y569 HydrophobicContact CG1-CD1 4.13Å; V377-Y569 WeakPolarHBondContact CG1-O 3.5Å; M380-Y569 HydrophobicContact CB-CD1 4.21Å; M380-Y569 HydrophobicContact CB-CG 4.27Å; M380-Y569 HydrophobicContact CE-CE1 3.82Å; M380-Y569 HydrophobicContact CE-CE2 4.49Å; M380-Y569 WeakPolarHBondContact CE-OH 3.08Å; M380-Y569 HydrophobicContact CG-CD1 3.98Å; M380-Y569 HydrophobicContact CG-CD2 4.3Å; M380-Y569 HydrophobicContact CG-CE1 3.95Å; M380-Y569 HydrophobicContact CG-CE2 4.3Å; M380-Y569 HydrophobicContact CG-CG 4.17Å; M380-Y569 HydrophobicContact SD-CD1 3.83Å; M380-Y569 HydrophobicContact SD-CE1 3.4Å; M380-Y569 WeakPolarHBondContact SD-CE1 3.27Å; F384-Y569 AromaticContact CD2-CD2 3.68Å; F384-Y569 HydrophobicContact CD2-CD2 3.68Å; F384-Y569 AromaticContact CD2-CE2 3.4Å; F384-Y569 HydrophobicContact CD2-CE2 3.4Å; F384-Y569 HydrophobicContact CE2-CD2 4.09Å; F384-Y569 AromaticContact CE2-CE2 3.34Å; F384-Y569 HydrophobicContact CE2-CE2 3.34Å; F384-Y569 AromaticContact CE2-CZ 3.97Å; F384-Y569 HydrophobicContact CG-CE2 4.46Å; F384-Y569 HydrophobicContact CZ-CE2 4.38Å; F556-Y569 HydrophobicContact CE2-CE1 4.4Å; F556-Y569 AromaticContact CE2-CZ 3.99Å; F556-Y569 WeakPolarHBondContact CZ-OH 3.44Å; R565-Y569 WeakPolarHBondContact O-CD2 3.44Å; Q566-Y569 PolarHBondContact O-N 3.07Å; G567-Y569 PolarHBondContact O-N 2.92Å; Y569-L571 VanDerWaalsContact C-N 3.28Å; Y569-L571 PolarHBondContact O-N 3.47Å; Y569-Y572 PolarHBondContact O-N 3.16Å; Y569-A573 VanDerWaalsContact O-CB 3.31Å; Y569-A573 WeakPolarHBondContact O-CB 3.46Å; Y569-A573 PolarHBondContact O-N 2.9Å
570	Y	94.4	Very high	89.4	Confident	85 Å²	85	41 Å²	41	33%	0.333	25%	0.25	S	S	.	.	H	α-helix	trans	-60.8	-36.8	172.3	-63	-37.5	0	0	0	112.5	L378 I382 S385 Q566 G567 A573 A574	L378-Y570 HydrophobicContact CD1-CD1 3.88Å; L378-Y570 HydrophobicContact CD1-CE1 3.97Å; I382-Y570 HydrophobicContact CG1-CE1 4.48Å; S385-Y570 WeakPolarHBondContact CB-OH 3.16Å; Q566-Y570 HydrophobicContact CB-CE2 4.03Å; Q566-Y570 HydrophobicContact CG-CE2 4.32Å; Q566-Y570 VanDerWaalsContact O-CD2 3.27Å; Q566-Y570 WeakPolarHBondContact O-CD2 3.07Å; Q566-Y570 PolarHBondContact O-N 2.86Å; G567-Y570 PolarHBondContact O-N 3.22Å; Y570-A573 PolarHBondContact O-N 3.02Å; Y570-A574 PolarHBondContact O-N 3.33Å
571	L	93.3	Very high	89.7	Confident	72 Å²	72	42.2 Å²	42.2	38%	0.377	26%	0.264	S	S	.	.	H	α-helix	trans	-62.7	-50.9	173.5	178.8	64.2	0	0	0	112.3	L559 G567 V568 Y569 A573 A574 L575	L559-L571 HydrophobicContact CD2-CD2 3.64Å; G567-L571 PolarHBondContact O-N 3.33Å; V568-L571 WeakPolarHBondContact O-CB 3.25Å; V568-L571 PolarHBondContact O-N 3.44Å; Y569-L571 VanDerWaalsContact C-N 3.28Å; Y569-L571 PolarHBondContact O-N 3.47Å; L571-A573 VanDerWaalsContact C-N 3.32Å; L571-A573 PolarHBondContact O-N 3.32Å; L571-A574 PolarHBondContact O-N 3.45Å; L571-L575 HydrophobicContact CD1-CD1 4.43Å; L571-L575 HydrophobicContact CG-CD1 4.28Å; L571-L575 WeakPolarHBondContact O-CG 3.12Å; L571-L575 PolarHBondContact O-N 3.22Å
572	Y	93.4	Very high	90.3	Very high	9 Å²	9	41.4 Å²	41.4	4%	0.035	25%	0.251	C	S	.	.	H	α-helix	trans	-64.3	-34.6	177.1	-67.3	-38.6	0	0	0	112.5	V568 Y569 L575 T576	V568-Y572 HydrophobicContact CG1-CD2 4.13Å; V568-Y572 HydrophobicContact CG1-CE2 3.6Å; V568-Y572 WeakPolarHBondContact O-CD2 3.49Å; V568-Y572 PolarHBondContact O-N 2.89Å; V568-Y572 VanDerWaalsContact O-N 3.08Å; Y569-Y572 PolarHBondContact O-N 3.16Å; Y572-L575 HydrophobicContact CD1-CD1 4.41Å; Y572-L575 PolarHBondContact O-N 2.72Å; Y572-T576 WeakPolarHBondContact O-CB 3.45Å; Y572-T576 WeakPolarHBondContact O-CG2 3.29Å; Y572-T576 PolarHBondContact O-N 3.21Å; Y572-T576 PolarHBondContact O-OG1 3.3Å
573	A	93.4	Very high	90.6	Very high	6 Å²	6	37.4 Å²	37.4	5%	0.05	22%	0.218	C	C	.	.	H	α-helix	trans	-63.9	-40.4	174.2	0	0	0	0	0	112	S374 V377 L378 Y569 Y570 L571 T576 A577	S374-A573 PolarHBondContact OG-O 3.33Å; V377-A573 HydrophobicContact CB-CB 4.14Å; V377-A573 HydrophobicContact CG1-CB 4.1Å; L378-A573 HydrophobicContact CB-CB 4.11Å; Y569-A573 VanDerWaalsContact O-CB 3.31Å; Y569-A573 WeakPolarHBondContact O-CB 3.46Å; Y569-A573 PolarHBondContact O-N 2.9Å; Y570-A573 PolarHBondContact O-N 3.02Å; L571-A573 VanDerWaalsContact C-N 3.32Å; L571-A573 PolarHBondContact O-N 3.32Å; A573-T576 WeakPolarHBondContact CA-OG1 3.46Å; A573-T576 PolarHBondContact O-OG1 3.26Å; A573-A577 WeakPolarHBondContact O-CB 3.28Å; A573-A577 PolarHBondContact O-N 3.48Å
574	A	93.4	Very high	90.7	Very high	54 Å²	54	38.2 Å²	38.2	45%	0.446	22%	0.217	S	C	.	.	H	α-helix	trans	-67.2	-46	175	0	0	0	0	0	112.2	Y570 L571 T576 A577 V578	Y570-A574 PolarHBondContact O-N 3.33Å; L571-A574 PolarHBondContact O-N 3.45Å; A574-T576 VanDerWaalsContact C-N 3.31Å; A574-T576 PolarHBondContact O-N 3.33Å; A574-A577 PolarHBondContact O-N 3.47Å; A574-V578 WeakPolarHBondContact O-CG2 2.98Å; A574-V578 PolarHBondContact O-N 3.01Å
575	L	92.6	Very high	90.6	Very high	63 Å²	63	40.7 Å²	40.7	33%	0.33	23%	0.226	S	C	.	.	H	α-helix	trans	-60.1	-40	178.2	-70.3	172.4	0	0	0	112.1	L571 Y572 S579	L571-L575 HydrophobicContact CD1-CD1 4.43Å; L571-L575 HydrophobicContact CG-CD1 4.28Å; L571-L575 WeakPolarHBondContact O-CG 3.12Å; L571-L575 PolarHBondContact O-N 3.22Å; Y572-L575 HydrophobicContact CD1-CD1 4.41Å; Y572-L575 PolarHBondContact O-N 2.72Å; L575-S579 WeakPolarHBondContact O-CB 3.32Å; L575-S579 PolarHBondContact O-N 2.82Å; L575-S579 PolarHBondContact O-OG 3.43Å
576	T	91.3	Very high	90.6	Very high	2 Å²	2	41 Å²	41	1%	0.012	23%	0.229	C	C	.	.	H	α-helix	trans	-72.1	-33.9	176.5	46.6	0	0	0	0	113.5	S311 S374 Y572 A573 A574 S579 T580	S311-T576 VanDerWaalsContact CA-CG2 3.45Å; S374-T576 VanDerWaalsContact CA-OG1 3.24Å; S374-T576 WeakPolarHBondContact CA-OG1 3.42Å; S374-T576 VanDerWaalsContact CB-OG1 3.24Å; S374-T576 WeakPolarHBondContact CB-OG1 3.44Å; S374-T576 PolarHBondContact OG-OG1 3.02Å; Y572-T576 WeakPolarHBondContact O-CB 3.45Å; Y572-T576 WeakPolarHBondContact O-CG2 3.29Å; Y572-T576 PolarHBondContact O-N 3.21Å; Y572-T576 PolarHBondContact O-OG1 3.3Å; A573-T576 WeakPolarHBondContact CA-OG1 3.46Å; A573-T576 PolarHBondContact O-OG1 3.26Å; A574-T576 VanDerWaalsContact C-N 3.31Å; A574-T576 PolarHBondContact O-N 3.33Å; T576-S579 PolarHBondContact O-N 3.24Å; T576-T580 PolarHBondContact O-N 2.93Å; T576-T580 PolarHBondContact O-OG1 2.89Å
577	A	91.4	Very high	90.4	Very high	50 Å²	50	39.8 Å²	39.8	41%	0.413	22%	0.224	S	C	.	.	H	α-helix	trans	-62.4	-49	172	0	0	0	0	0	111.3	A573 A574 S579 T580 G581	A573-A577 WeakPolarHBondContact O-CB 3.28Å; A573-A577 PolarHBondContact O-N 3.48Å; A574-A577 PolarHBondContact O-N 3.47Å; A577-S579 VanDerWaalsContact C-N 3.33Å; A577-S579 PolarHBondContact O-N 3.17Å; A577-T580 WeakPolarHBondContact O-CB 3.49Å; A577-T580 PolarHBondContact O-N 3.31Å; A577-G581 PolarHBondContact O-N 2.89Å
578	V	91.4	Very high	90.3	Very high	108 Å²	108	39.4 Å²	39.4	66%	0.655	22%	0.219	S	C	*	.	H	α-helix	trans	-60.7	-43.2	176.1	173.9	0	0	0	0	111.1	A574 T580 G581 Y582	A574-V578 WeakPolarHBondContact O-CG2 2.98Å; A574-V578 PolarHBondContact O-N 3.01Å; V578-T580 VanDerWaalsContact C-N 3.26Å; V578-T580 PolarHBondContact O-N 3.4Å; V578-G581 PolarHBondContact O-N 2.79Å; V578-G581 VanDerWaalsContact O-N 3.09Å; V578-Y582 PolarHBondContact O-N 3.47Å
579	S	91	Very high	90.1	Very high	14 Å²	14	42.3 Å²	42.3	10%	0.098	23%	0.233	C	C	.	.	H	α-helix	trans	-59.2	-35.2	177	-61.2	0	0	0	0	113	L575 T576 A577 Y582 L583	L575-S579 WeakPolarHBondContact O-CB 3.32Å; L575-S579 PolarHBondContact O-N 2.82Å; L575-S579 PolarHBondContact O-OG 3.43Å; T576-S579 PolarHBondContact O-N 3.24Å; A577-S579 VanDerWaalsContact C-N 3.33Å; A577-S579 PolarHBondContact O-N 3.17Å; S579-Y582 PolarHBondContact O-N 3.47Å; S579-L583 WeakPolarHBondContact O-CB 3.43Å; S579-L583 WeakPolarHBondContact O-CG 3.33Å; S579-L583 PolarHBondContact O-N 3.26Å
580	T	89.9	Confident	89.8	Confident	23 Å²	23	42.3 Å²	42.3	14%	0.141	23%	0.233	C	C	.	.	H	α-helix	trans	-63.4	-43.5	174.8	-59.5	0	0	0	0	111.5	I367 T370 A371 T576 A577 V578 Y584	I367-T580 HydrophobicContact CG2-CG2 4.23Å; T370-T580 VanDerWaalsContact C-OG1 3.24Å; T370-T580 VanDerWaalsContact CB-OG1 3.24Å; T370-T580 WeakPolarHBondContact CB-OG1 3.33Å; T370-T580 WeakPolarHBondContact OG1-CB 3.44Å; T370-T580 PolarHBondContact OG1-OG1 2.91Å; A371-T580 HydrophobicContact CB-CG2 3.77Å; A371-T580 PolarHBondContact N-OG1 3.41Å; T576-T580 PolarHBondContact O-N 2.93Å; T576-T580 PolarHBondContact O-OG1 2.89Å; A577-T580 WeakPolarHBondContact O-CB 3.49Å; A577-T580 PolarHBondContact O-N 3.31Å; V578-T580 VanDerWaalsContact C-N 3.26Å; V578-T580 PolarHBondContact O-N 3.4Å; T580-Y584 WeakPolarHBondContact O-CB 3.29Å; T580-Y584 PolarHBondContact O-N 2.96Å
581	G	86.5	Confident	89.3	Confident	33 Å²	33	42.4 Å²	42.4	34%	0.34	24%	0.235	S	C	.	.	H	α-helix	trans	-63	-45.8	175	0	0	0	0	0	112.6	A577 V578 Y584 M585	A577-G581 PolarHBondContact O-N 2.89Å; V578-G581 PolarHBondContact O-N 2.79Å; V578-G581 VanDerWaalsContact O-N 3.09Å; G581-Y584 PolarHBondContact O-N 2.96Å; G581-M585 PolarHBondContact O-N 3.23Å
582	Y	89.8	Confident	88.3	Confident	76 Å²	76	41.5 Å²	41.5	30%	0.298	24%	0.243	S	C	.	.	H	α-helix	trans	-57.4	-52.7	175.9	172.7	-98.4	0	0	0	112.1	S303 I307 V578 S579 Y584 M585 V586	S303-Y582 PolarHBondContact OG-OH 3.2Å; I307-Y582 HydrophobicContact CD1-CD1 3.82Å; I307-Y582 HydrophobicContact CD1-CE1 4.19Å; V578-Y582 PolarHBondContact O-N 3.47Å; S579-Y582 PolarHBondContact O-N 3.47Å; Y582-Y584 VanDerWaalsContact C-N 3.29Å; Y582-Y584 PolarHBondContact O-N 3.19Å; Y582-M585 PolarHBondContact O-N 2.98Å; Y582-M585 VanDerWaalsContact O-N 3.16Å; Y582-V586 HydrophobicContact CD2-CG2 4.06Å; Y582-V586 HydrophobicContact CE2-CB 4.36Å; Y582-V586 HydrophobicContact CE2-CG2 3.84Å; Y582-V586 PolarHBondContact O-N 2.88Å
583	L	89.3	Confident	87.7	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-65.7	-31.2	179.1	-68.3	173.7	0	0	0	112.4	L304 I307 V366 I367 T370 S579 M585 L587	L304-L583 HydrophobicContact CD1-CD1 4.26Å; L304-L583 HydrophobicContact CD1-CD2 4.11Å; I307-L583 HydrophobicContact CD1-CD1 4.04Å; I307-L583 HydrophobicContact CD1-CD2 4.06Å; I307-L583 HydrophobicContact CD1-CG 3.93Å; I307-L583 HydrophobicContact CG2-CD1 4.19Å; V366-L583 HydrophobicContact CG2-CD1 4.26Å; I367-L583 HydrophobicContact CG1-CB 4.35Å; T370-L583 HydrophobicContact CG2-CD1 3.72Å; S579-L583 WeakPolarHBondContact O-CB 3.43Å; S579-L583 WeakPolarHBondContact O-CG 3.33Å; S579-L583 PolarHBondContact O-N 3.26Å; L583-M585 VanDerWaalsContact C-N 3.32Å; L583-M585 PolarHBondContact O-N 3.44Å; L583-L587 HydrophobicContact CD2-CB 4.4Å; L583-L587 HydrophobicContact CD2-CD2 4.45Å; L583-L587 VanDerWaalsContact O-CB 3.26Å; L583-L587 WeakPolarHBondContact O-CB 3.47Å; L583-L587 PolarHBondContact O-N 3.3Å
584	Y	86.4	Confident	86.7	Confident	100 Å²	100	43.6 Å²	43.6	39%	0.392	26%	0.261	S	S	.	.	H	α-helix	trans	-61.8	-39.2	173.4	-178.7	-93.2	0	0	0	112.6	R363 I367 T580 G581 Y582	R363-Y584 PolarHBondContact NH2-O 3.5Å; I367-Y584 HydrophobicContact CD1-CD2 4.12Å; I367-Y584 HydrophobicContact CG2-CD2 4.48Å; T580-Y584 WeakPolarHBondContact O-CB 3.29Å; T580-Y584 PolarHBondContact O-N 2.96Å; G581-Y584 PolarHBondContact O-N 2.96Å; Y582-Y584 VanDerWaalsContact C-N 3.29Å; Y582-Y584 PolarHBondContact O-N 3.19Å
585	M	83.5	Confident	85.6	Confident	103 Å²	103	42.2 Å²	42.2	51%	0.507	25%	0.246	S	C	.	.	H	α-helix	trans	-80.7	-47.8	-179.6	-62.8	-174.6	-169.9	0	0	113.1	G581 Y582 L583 Y608	G581-M585 PolarHBondContact O-N 3.23Å; Y582-M585 PolarHBondContact O-N 2.98Å; Y582-M585 VanDerWaalsContact O-N 3.16Å; L583-M585 VanDerWaalsContact C-N 3.32Å; L583-M585 PolarHBondContact O-N 3.44Å; M585-Y608 PolarHBondContact O-N 2.93Å
586	V	86.3	Confident	84.5	Confident	20 Å²	20	42.8 Å²	42.8	12%	0.121	25%	0.249	C	C	.	.	H	α-helix	trans	-92.6	-34.3	-162.7	177.9	0	0	0	0	114.3	L300 Y582 P588 W606 Y608	L300-V586 HydrophobicContact CD1-CG1 4.19Å; Y582-V586 HydrophobicContact CD2-CG2 4.06Å; Y582-V586 HydrophobicContact CE2-CB 4.36Å; Y582-V586 HydrophobicContact CE2-CG2 3.84Å; Y582-V586 PolarHBondContact O-N 2.88Å; V586-P588 VanDerWaalsContact O-CD 3.26Å; V586-P588 WeakPolarHBondContact O-CD 3.36Å; V586-W606 WeakPolarHBondContact CA-O 3.42Å; V586-W606 HydrophobicContact CG1-CE3 3.89Å; V586-W606 HydrophobicContact CG1-CZ3 4.13Å; V586-Y608 WeakPolarHBondContact O-CD2 3.4Å; V586-Y608 WeakPolarHBondContact O-CE2 3.41Å
587	L	87.8	Confident	83.9	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.005	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-74.9	119.6	-172	-178.5	65.5	0	0	0	111.4	L300 R363 V366 L583	L300-L587 HydrophobicContact CD1-CB 4.45Å; L300-L587 HydrophobicContact CD1-CD1 3.85Å; L300-L587 HydrophobicContact CD2-CD1 4.12Å; L300-L587 HydrophobicContact CG-CD1 4.28Å; R363-L587 HydrophobicContact CB-CD2 4.29Å; R363-L587 HydrophobicContact CB-CG 4.36Å; R363-L587 WeakPolarHBondContact CD-O 3.29Å; R363-L587 HydrophobicContact CG-CB 4.33Å; R363-L587 HydrophobicContact CG-CD2 4.2Å; R363-L587 HydrophobicContact CG-CG 4.16Å; R363-L587 WeakPolarHBondContact CG-O 3.46Å; R363-L587 PolarHBondContact NE-O 2.92Å; V366-L587 HydrophobicContact CG1-CD2 3.29Å; L583-L587 HydrophobicContact CD2-CB 4.4Å; L583-L587 HydrophobicContact CD2-CD2 4.45Å; L583-L587 VanDerWaalsContact O-CB 3.26Å; L583-L587 WeakPolarHBondContact O-CB 3.47Å; L583-L587 PolarHBondContact O-N 3.3Å
588	P	86.8	Confident	83.3	Confident	4 Å²	4	43.8 Å²	43.8	3%	0.026	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-75.1	170.4	169	32.2	-35.9	0	0	0	111.7	L300 V586 L601 Y608	L300-P588 HydrophobicContact CD2-CG 4.34Å; V586-P588 VanDerWaalsContact O-CD 3.26Å; V586-P588 WeakPolarHBondContact O-CD 3.36Å; P588-L601 HydrophobicContact CB-CD1 4.33Å; P588-L601 HydrophobicContact CB-CD2 4.05Å; P588-L601 HydrophobicContact CB-CG 4.15Å; P588-L601 HydrophobicContact CG-CD2 4.35Å; P588-Y608 HydrophobicContact CB-CD1 4.21Å; P588-Y608 HydrophobicContact CB-CD2 4.11Å; P588-Y608 HydrophobicContact CB-CE1 3.98Å; P588-Y608 HydrophobicContact CB-CE2 3.88Å; P588-Y608 HydrophobicContact CB-CG 4.27Å; P588-Y608 HydrophobicContact CG-CE2 4.14Å
589	E	87	Confident	82.7	Confident	62 Å²	62	42.7 Å²	42.7	29%	0.29	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-91.8	118.4	170.4	-176.5	57.6	-109.1	0	0	109.4	R362 R363 K591	R362-E589 PolarHBondContact N-OE1 3.41Å; R362-E589 PolarHBondContact N-OE2 3.13Å; R363-E589 HydrophobicContact CB-CB 4.36Å; R363-E589 VanDerWaalsContact CB-OE2 3.32Å; R363-E589 WeakPolarHBondContact CB-OE2 2.96Å; R363-E589 PolarHBondContact N-OE2 3.09Å; E589-K591 HydrophobicContact CG-CB 4.15Å; E589-K591 WeakPolarHBondContact OE1-CB 3.03Å; E589-K591 PolarHBondContact OE1-N 3.5Å
590	T	87.1	Confident	82	Confident	4 Å²	4	46.2 Å²	46.2	3%	0.025	26%	0.256	C	S	.	.			trans	-94.3	-11.1	-178.9	57.5	0	0	0	0	113.2	R362 E527 I528 G592 V593	R362-T590 VanDerWaalsContact CD-OG1 3.29Å; R362-T590 WeakPolarHBondContact CD-OG1 3.29Å; R362-T590 WeakPolarHBondContact CG-OG1 3.25Å; E527-T590 VanDerWaalsContact OE2-CB 3.23Å; E527-T590 WeakPolarHBondContact OE2-CB 3.15Å; E527-T590 PolarHBondContact OE2-OG1 3.03Å; I528-T590 HydrophobicContact CG2-CG2 4.06Å; T590-G592 PolarHBondContact O-N 3.06Å; T590-V593 PolarHBondContact O-N 3.24Å
591	K	83.8	Confident	81.6	Confident	86 Å²	86	47.3 Å²	47.3	37%	0.374	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	122.4	-178.1	171.6	176.4	161.2	-180	0	112	E358 K359 E589 V593	E358-K591 WeakPolarHBondContact O-CE 3.09Å; E358-K591 PolarHBondContact O-NZ 3.15Å; K359-K591 PolarHBondContact O-NZ 3.41Å; E589-K591 HydrophobicContact CG-CB 4.15Å; E589-K591 WeakPolarHBondContact OE1-CB 3.03Å; E589-K591 PolarHBondContact OE1-N 3.5Å; K591-V593 PolarHBondContact O-N 3.22Å
592	G	73.1	Confident	81.4	Confident	53 Å²	53	46.2 Å²	46.2	55%	0.546	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	4.5	174.2	0	0	0	0	0	115.1	T590	T590-G592 PolarHBondContact O-N 3.06Å
593	V	79.5	Confident	80.9	Confident	35 Å²	35	47.6 Å²	47.6	21%	0.212	26%	0.256	C	S	.	.			trans	-76.8	128.1	175.9	-174.4	0	0	0	0	108.8	T590 K591 D597 I598 L601	T590-V593 PolarHBondContact O-N 3.24Å; K591-V593 PolarHBondContact O-N 3.22Å; V593-D597 HydrophobicContact CG1-CB 3.98Å; V593-I598 HydrophobicContact CB-CG1 4.33Å; V593-I598 HydrophobicContact CG1-CG1 3.76Å; V593-L601 HydrophobicContact CG2-CD2 4.3Å
594	G	71.9	Confident	80.1	Confident	24 Å²	24	48.8 Å²	48.8	25%	0.247	27%	0.268	C	S	.	.			trans	-64	146.7	174.1	0	0	0	0	0	110.6	D596 D597 I598	G594-D596 PolarHBondContact O-N 2.81Å; G594-D597 PolarHBondContact O-N 3.48Å; G594-I598 PolarHBondContact O-N 3.39Å
595	I	72.1	Confident	79.6	Confident	25 Å²	25	48.7 Å²	48.7	13%	0.128	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-52.4	-45	-177.3	-63.5	172.7	0	0	0	111.1	T148 R156 N531 R534 D597 I598	T148-I595 HydrophobicContact CG2-CD1 4.45Å; R156-I595 VanDerWaalsContact NH1-CG1 3.33Å; N531-I595 WeakPolarHBondContact ND2-CG2 3.18Å; N531-I595 WeakPolarHBondContact OD1-CG2 3.44Å; R534-I595 VanDerWaalsContact NH2-CG2 3.27Å; I595-D597 PolarHBondContact O-N 2.91Å; I595-I598 WeakPolarHBondContact O-CB 3.23Å; I595-I598 PolarHBondContact O-N 3.3Å
596	D	69.6	Low	79.1	Confident	75 Å²	75	49.2 Å²	49.2	40%	0.401	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-69.8	-19.5	-177.6	-62.8	6.3	0	0	0	112.5	R259 N531 G594	R259-D596 IonicContact CZ-OD2 2.76Å; R259-D596 IonicContact NE-OD2 3.71Å; R259-D596 PolarHBondContact NE-OD2 3.14Å; R259-D596 IonicContact NH2-OD1 3.44Å; R259-D596 IonicContact NH2-OD2 3.95Å; R259-D596 PolarHBondContact NH2-OD2 3.09Å; N531-D596 PolarHBondContact ND2-OD1 3.28Å; G594-D596 PolarHBondContact O-N 2.81Å
597	D	76.7	Confident	78.3	Confident	66 Å²	66	53.3 Å²	53.3	35%	0.353	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-91.5	-5.5	177.2	-65.2	-51.3	0	0	0	112.6	K266 V593 G594 I595 V600 L601	K266-D597 IonicContact NZ-OD1 3.59Å; K266-D597 PolarHBondContact NZ-OD1 2.97Å; K266-D597 IonicContact NZ-OD2 3.25Å; K266-D597 PolarHBondContact NZ-OD2 2.96Å; V593-D597 HydrophobicContact CG1-CB 3.98Å; G594-D597 PolarHBondContact O-N 3.48Å; I595-D597 PolarHBondContact O-N 2.91Å; D597-V600 WeakPolarHBondContact O-CB 3.39Å; D597-V600 PolarHBondContact O-N 3.18Å; D597-L601 PolarHBondContact O-N 2.87Å; D597-L601 VanDerWaalsContact O-N 3.13Å
598	I	78.8	Confident	77.1	Confident	8 Å²	8	55.3 Å²	55.3	4%	0.041	30%	0.304	C	S	.	.	H	α-helix	trans	-70.2	-36.1	-179.9	-69.8	176.9	0	0	0	112.1	E527 V593 G594 I595 V600 L601 L602	E527-I598 HydrophobicContact CB-CD1 4.47Å; E527-I598 WeakPolarHBondContact O-CD1 3.38Å; V593-I598 HydrophobicContact CB-CG1 4.33Å; V593-I598 HydrophobicContact CG1-CG1 3.76Å; G594-I598 PolarHBondContact O-N 3.39Å; I595-I598 WeakPolarHBondContact O-CB 3.23Å; I595-I598 PolarHBondContact O-N 3.3Å; I598-V600 VanDerWaalsContact C-N 3.27Å; I598-V600 PolarHBondContact O-N 2.82Å; I598-L601 WeakPolarHBondContact O-CB 3.45Å; I598-L601 PolarHBondContact O-N 2.92Å; I598-L602 HydrophobicContact CG2-CD1 4.08Å; I598-L602 HydrophobicContact CG2-CG 4.48Å; I598-L602 WeakPolarHBondContact O-CG 3.02Å; I598-L602 PolarHBondContact O-N 3.27Å
599	E	78.8	Confident	75.4	Confident	85 Å²	85	65.1 Å²	65.1	40%	0.397	35%	0.346	S	S	.	.	H	α-helix	trans	-60.1	-40.6	174	-65	-176.5	173.8	0	0	110.6	P530 L602 Q603	P530-E599 HydrophobicContact CB-CG 4.47Å; P530-E599 WeakPolarHBondContact CB-OE1 3.08Å; E599-L602 PolarHBondContact O-N 2.84Å; E599-Q603 WeakPolarHBondContact O-CG 3.48Å; E599-Q603 PolarHBondContact O-N 3.35Å; E599-Q603 VanDerWaalsContact O-N 3.08Å
600	V	77.6	Confident	73.4	Confident	87 Å²	87	64.3 Å²	64.3	53%	0.527	35%	0.35	S	S	.	.	H	α-helix	trans	-64.5	-40.3	175.6	-174.1	0	0	0	0	111.6	D597 I598 L602 Q603	D597-V600 WeakPolarHBondContact O-CB 3.39Å; D597-V600 PolarHBondContact O-N 3.18Å; I598-V600 VanDerWaalsContact C-N 3.27Å; I598-V600 PolarHBondContact O-N 2.82Å; V600-L602 VanDerWaalsContact C-N 3.3Å; V600-L602 PolarHBondContact O-N 2.84Å; V600-Q603 PolarHBondContact O-N 3.31Å
601	L	80.6	Confident	71.7	Confident	47 Å²	47	74.1 Å²	74.1	25%	0.246	39%	0.393	C	S	.	.	H	α-helix	trans	-62.7	-37.1	175.5	-177.1	65.3	0	0	0	112.3	P588 V593 D597 I598 Y608	P588-L601 HydrophobicContact CB-CD1 4.33Å; P588-L601 HydrophobicContact CB-CD2 4.05Å; P588-L601 HydrophobicContact CB-CG 4.15Å; P588-L601 HydrophobicContact CG-CD2 4.35Å; V593-L601 HydrophobicContact CG2-CD2 4.3Å; D597-L601 PolarHBondContact O-N 2.87Å; D597-L601 VanDerWaalsContact O-N 3.13Å; I598-L601 WeakPolarHBondContact O-CB 3.45Å; I598-L601 PolarHBondContact O-N 2.92Å; L601-Y608 HydrophobicContact CD1-CE1 4.42Å; L601-Y608 PolarHBondContact O-OH 2.78Å
602	L	83.4	Confident	70.1	Confident	9 Å²	9	72.4 Å²	72.4	5%	0.047	38%	0.384	C	S	.	.	H	α-helix	trans	-81.3	-14	-179.9	-68.4	174.4	0	0	0	113.9	K296 A297 I598 E599 V600 G604	K296-L602 WeakPolarHBondContact CD-O 3.28Å; K296-L602 PolarHBondContact NZ-O 2.84Å; A297-L602 HydrophobicContact CB-CD1 3.89Å; I598-L602 HydrophobicContact CG2-CD1 4.08Å; I598-L602 HydrophobicContact CG2-CG 4.48Å; I598-L602 WeakPolarHBondContact O-CG 3.02Å; I598-L602 PolarHBondContact O-N 3.27Å; E599-L602 PolarHBondContact O-N 2.84Å; V600-L602 VanDerWaalsContact C-N 3.3Å; V600-L602 PolarHBondContact O-N 2.84Å; L602-G604 PolarHBondContact O-N 2.79Å
603	Q	79.2	Confident	69.2	Low	106 Å²	106	76.8 Å²	76.8	50%	0.495	39%	0.39	S	S	.	.	H	α-helix	trans	-65.7	-26.1	171.7	-76	166.6	4.3	0	0	112.6	E293 E599 V600	E293-Q603 HydrophobicContact CG-CG 4.21Å; E599-Q603 WeakPolarHBondContact O-CG 3.48Å; E599-Q603 PolarHBondContact O-N 3.35Å; E599-Q603 VanDerWaalsContact O-N 3.08Å; V600-Q603 PolarHBondContact O-N 3.31Å
604	G	73.1	Confident	68.1	Low	24 Å²	24	77.6 Å²	77.6	25%	0.247	40%	0.397	C	S	.	.	S	Bend	trans	-60.6	170.9	-179.6	0	0	0	0	0	116.1	K296 L602	K296-G604 PolarHBondContact NZ-O 2.93Å; L602-G604 PolarHBondContact O-N 2.79Å
605	P	74.9	Confident	67.6	Low	98 Å²	98	81.1 Å²	81.1	64%	0.636	41%	0.413	S	S	*	.			trans	-64.6	153.7	178.1	29.4	-36	0	0	0	111.7	I607	P605-I607 PolarHBondContact O-N 2.86Å; P605-I607 VanDerWaalsContact O-N 3.14Å
606	W	72.3	Confident	67.3	Low	115 Å²	115	84.2 Å²	84.2	44%	0.436	43%	0.426	S	S	.	.	S	Bend	trans	-59.5	-23.9	178.8	-76.2	97.5	0	0	0	114.2	K296 I299 V586	K296-W606 HydrophobicContact CG-CH2 3.98Å; K296-W606 HydrophobicContact CG-CZ2 3.79Å; I299-W606 HydrophobicContact CB-CH2 4.45Å; I299-W606 HydrophobicContact CD1-CH2 4.1Å; I299-W606 HydrophobicContact CG2-CH2 4.2Å; I299-W606 HydrophobicContact CG2-CZ3 4.38Å; V586-W606 WeakPolarHBondContact CA-O 3.42Å; V586-W606 HydrophobicContact CG1-CE3 3.89Å; V586-W606 HydrophobicContact CG1-CZ3 4.13Å
607	I	70.4	Confident	67.2	Low	105 Å²	105	81.3 Å²	81.3	54%	0.538	41%	0.41	S	S	.	.	S	Bend	trans	-104.9	100.4	-178.4	-57.4	176	0	0	0	109.5	P605 K609	P605-I607 PolarHBondContact O-N 2.86Å; P605-I607 VanDerWaalsContact O-N 3.14Å; I607-K609 PolarHBondContact O-N 3.43Å; I607-K609 VanDerWaalsContact O-N 3.1Å
608	Y	61.8	Low	66.9	Low	43 Å²	43	78.3 Å²	78.3	17%	0.169	39%	0.394	C	S	.	.			trans	-82.6	88	-176.4	-71.3	-87.1	0	0	0	112.4	R363 M585 V586 P588 L601 A610	R363-Y608 PolarHBondContact NH1-O 3.35Å; R363-Y608 VanDerWaalsContact NH1-O 3.15Å; R363-Y608 PolarHBondContact NH2-O 2.9Å; M585-Y608 PolarHBondContact O-N 2.93Å; V586-Y608 WeakPolarHBondContact O-CD2 3.4Å; V586-Y608 WeakPolarHBondContact O-CE2 3.41Å; P588-Y608 HydrophobicContact CB-CD1 4.21Å; P588-Y608 HydrophobicContact CB-CD2 4.11Å; P588-Y608 HydrophobicContact CB-CE1 3.98Å; P588-Y608 HydrophobicContact CB-CE2 3.88Å; P588-Y608 HydrophobicContact CB-CG 4.27Å; P588-Y608 HydrophobicContact CG-CE2 4.14Å; L601-Y608 HydrophobicContact CD1-CE1 4.42Å; L601-Y608 PolarHBondContact O-OH 2.78Å; Y608-A610 PolarHBondContact O-N 3.4Å
609	K	51.5	Low	66.6	Low	210 Å²	210	80.3 Å²	80.3	91%	0.913	41%	0.412	S	S	*	.			trans	-60.4	100.5	169	-75.8	-174.9	178.2	178.2	0	111	I607	I607-K609 PolarHBondContact O-N 3.43Å; I607-K609 VanDerWaalsContact O-N 3.1Å
610	A	46	Very low	66.4	Low	46 Å²	46	76.5 Å²	76.5	38%	0.38	40%	0.395	S	S	.	.			trans	-93.6	168.4	178.4	0	0	0	0	0	113	Y608 R612	Y608-A610 PolarHBondContact O-N 3.4Å; A610-R612 HydrophobicContact CB-CB 4.4Å; A610-R612 HydrophobicContact CB-CG 4Å; A610-R612 PolarHBondContact O-N 3.23Å
611	K	50.6	Low	66.4	Low	210 Å²	210	72.4 Å²	72.4	91%	0.913	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	9.7	169.3	-68.6	179	175.3	176.8	0	115	H613	K611-H613 PolarHBondContact O-N 3.06Å
612	R	51	Low	66.4	Low	50 Å²	50	70.3 Å²	70.3	19%	0.189	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-4.7	-176.7	-76.7	-178.8	172.3	-179.2	-4.7	115.5	A610 C614 T615 F616	A610-R612 HydrophobicContact CB-CB 4.4Å; A610-R612 HydrophobicContact CB-CG 4Å; A610-R612 PolarHBondContact O-N 3.23Å; R612-C614 PolarHBondContact O-N 3.26Å; R612-T615 PolarHBondContact O-N 3.12Å; R612-T615 VanDerWaalsContact O-N 3.13Å; R612-F616 PolarHBondContact O-N 2.84Å
613	H	54.1	Low	66.5	Low	145 Å²	145	72.8 Å²	72.8	67%	0.671	37%	0.371	S	S	*	.	H	α-helix	trans	-50.9	-45.6	175	-107.4	91.7	0	0	0	111.7	K611 T615 F616 I617	K611-H613 PolarHBondContact O-N 3.06Å; H613-T615 PolarHBondContact O-N 3.07Å; H613-F616 PolarHBondContact O-N 2.72Å; H613-I617 WeakPolarHBondContact O-CB 3.46Å; H613-I617 VanDerWaalsContact O-CD1 3.29Å; H613-I617 WeakPolarHBondContact O-CD1 3.46Å; H613-I617 WeakPolarHBondContact O-CG1 3.37Å; H613-I617 PolarHBondContact O-N 3.46Å
614	C	55.9	Low	66.8	Low	52 Å²	52	67.7 Å²	67.7	35%	0.351	35%	0.348	S	S	.	.	H	α-helix	trans	-63.6	-43.4	179.7	-160.3	0	0	0	0	112.2	R612 F616 I617 T618	R612-C614 PolarHBondContact O-N 3.26Å; C614-F616 PolarHBondContact O-N 3.18Å; C614-I617 PolarHBondContact O-N 2.56Å; C614-T618 PolarHBondContact O-N 3.16Å; C614-T618 PolarHBondContact O-OG1 3.3Å
615	T	61.4	Low	67.4	Low	97 Å²	97	66.6 Å²	66.6	60%	0.595	34%	0.336	S	S	*	.	H	α-helix	trans	-64.7	-39.1	179.1	-32.9	0	0	0	0	112.4	R612 H613 A619	R612-T615 PolarHBondContact O-N 3.12Å; R612-T615 VanDerWaalsContact O-N 3.13Å; H613-T615 PolarHBondContact O-N 3.07Å; T615-A619 WeakPolarHBondContact O-CB 3.37Å; T615-A619 PolarHBondContact O-N 2.71Å
616	F	66	Low	68.1	Low	90 Å²	90	63.4 Å²	63.4	40%	0.395	31%	0.312	S	S	.	.	H	α-helix	trans	-66.7	-44.4	174.8	178.6	-98.6	0	0	0	111.8	R612 H613 C614 T618 A619 A620 L790 L793	R612-F616 PolarHBondContact O-N 2.84Å; H613-F616 PolarHBondContact O-N 2.72Å; C614-F616 PolarHBondContact O-N 3.18Å; F616-T618 PolarHBondContact O-N 2.96Å; F616-A619 PolarHBondContact O-N 3.49Å; F616-A620 WeakPolarHBondContact O-CB 3.22Å; F616-A620 PolarHBondContact O-N 3.23Å; F616-L790 HydrophobicContact CZ-CD2 4.09Å; F616-L793 HydrophobicContact CE1-CB 4.37Å; F616-L793 HydrophobicContact CE1-CD1 3.97Å; F616-L793 HydrophobicContact CZ-CD1 4.11Å
617	I	68.2	Low	68.9	Low	15 Å²	15	58 Å²	58	8%	0.077	29%	0.292	C	S	.	.	H	α-helix	trans	-59.7	-46.4	175.4	-70.1	160.3	0	0	0	111	H613 C614 A620 T621 L732 I794 P795	H613-I617 WeakPolarHBondContact O-CB 3.46Å; H613-I617 VanDerWaalsContact O-CD1 3.29Å; H613-I617 WeakPolarHBondContact O-CD1 3.46Å; H613-I617 WeakPolarHBondContact O-CG1 3.37Å; H613-I617 PolarHBondContact O-N 3.46Å; C614-I617 PolarHBondContact O-N 2.56Å; I617-A620 PolarHBondContact O-N 3.09Å; I617-T621 PolarHBondContact O-N 3.32Å; I617-T621 PolarHBondContact O-OG1 3.07Å; I617-L732 HydrophobicContact CG2-CD1 3.56Å; I617-I794 HydrophobicContact CG2-CG2 4.08Å; I617-P795 VanDerWaalsContact CD1-CD 3.47Å; I617-P795 HydrophobicContact CD1-CG 3.79Å
618	T	69.5	Low	69.8	Low	2 Å²	2	53.7 Å²	53.7	1%	0.012	27%	0.27	C	S	.	.	H	α-helix	trans	-61.7	-48.4	176.3	-58.9	0	0	0	0	110.9	C614 F616 A620 T621 V622 T729 L741 L744	C614-T618 PolarHBondContact O-N 3.16Å; C614-T618 PolarHBondContact O-OG1 3.3Å; F616-T618 PolarHBondContact O-N 2.96Å; T618-A620 PolarHBondContact O-N 3.05Å; T618-T621 PolarHBondContact O-N 3.26Å; T618-T621 VanDerWaalsContact O-N 3.15Å; T618-V622 HydrophobicContact CG2-CG2 3.89Å; T618-V622 WeakPolarHBondContact O-CB 3.36Å; T618-V622 VanDerWaalsContact O-CG2 3.31Å; T618-V622 WeakPolarHBondContact O-CG2 3.44Å; T618-V622 PolarHBondContact O-N 3.35Å; T618-T729 HydrophobicContact CG2-CG2 3.96Å; T618-L741 HydrophobicContact CG2-CB 4.24Å; T618-L741 HydrophobicContact CG2-CD2 3.85Å; T618-L741 HydrophobicContact CG2-CG 4.01Å; T618-L741 WeakPolarHBondContact OG1-CD2 3.48Å; T618-L744 HydrophobicContact CG2-CD1 4.43Å
619	A	72.3	Confident	71	Confident	50 Å²	50	51.8 Å²	51.8	41%	0.413	26%	0.263	S	S	.	.	H	α-helix	trans	-56	-48.9	178.3	0	0	0	0	0	111.9	T615 F616 T621 V622 M623	T615-A619 WeakPolarHBondContact O-CB 3.37Å; T615-A619 PolarHBondContact O-N 2.71Å; F616-A619 PolarHBondContact O-N 3.49Å; A619-T621 VanDerWaalsContact C-N 3.28Å; A619-T621 PolarHBondContact O-N 2.73Å; A619-V622 PolarHBondContact O-N 3.08Å; A619-M623 WeakPolarHBondContact O-CG 3.26Å; A619-M623 PolarHBondContact O-N 2.98Å; A619-M623 VanDerWaalsContact O-N 3.08Å
620	A	74.5	Confident	72.8	Confident	5 Å²	5	42 Å²	42	4%	0.041	22%	0.22	C	C	.	.	H	α-helix	trans	-63.8	-29.1	179.2	0	0	0	0	0	113.7	F616 I617 T618 Q787 L790 I794	F616-A620 WeakPolarHBondContact O-CB 3.22Å; F616-A620 PolarHBondContact O-N 3.23Å; I617-A620 PolarHBondContact O-N 3.09Å; T618-A620 PolarHBondContact O-N 3.05Å; A620-Q787 PolarHBondContact O-NE2 3.18Å; A620-L790 HydrophobicContact CB-CB 4.46Å; A620-I794 HydrophobicContact CB-CD1 3.79Å; A620-I794 HydrophobicContact CB-CG1 4.31Å
621	T	77.5	Confident	74.8	Confident	1 Å²	1	40 Å²	40	1%	0.006	20%	0.203	C	C	.	.	H	α-helix	trans	-76.2	-47.3	173.7	-50.3	0	0	0	0	111.1	I617 T618 A619 M623 M624 I684 V725 Y728 Q787	I617-T621 PolarHBondContact O-N 3.32Å; I617-T621 PolarHBondContact O-OG1 3.07Å; T618-T621 PolarHBondContact O-N 3.26Å; T618-T621 VanDerWaalsContact O-N 3.15Å; A619-T621 VanDerWaalsContact C-N 3.28Å; A619-T621 PolarHBondContact O-N 2.73Å; T621-M623 PolarHBondContact O-N 3.34Å; T621-M624 WeakPolarHBondContact O-CB 3.41Å; T621-M624 PolarHBondContact O-N 3.34Å; T621-I684 HydrophobicContact CG2-CD1 3.84Å; T621-V725 HydrophobicContact CG2-CG1 4.17Å; T621-Y728 HydrophobicContact CG2-CD1 3.44Å; T621-Y728 VanDerWaalsContact CG2-CD1 3.44Å; T621-Y728 HydrophobicContact CG2-CE1 3.76Å; T621-Y728 WeakPolarHBondContact OG1-CE1 3.48Å; T621-Q787 PolarHBondContact O-NE2 2.91Å
622	V	81.7	Confident	76.3	Confident	4 Å²	4	31.4 Å²	31.4	2%	0.024	17%	0.169	C	C	.	.	H	α-helix	trans	-61.4	-25.6	-177.8	153.4	0	0	0	0	113	T618 A619 M624 G625 L744 C748	T618-V622 HydrophobicContact CG2-CG2 3.89Å; T618-V622 WeakPolarHBondContact O-CB 3.36Å; T618-V622 VanDerWaalsContact O-CG2 3.31Å; T618-V622 WeakPolarHBondContact O-CG2 3.44Å; T618-V622 PolarHBondContact O-N 3.35Å; A619-V622 PolarHBondContact O-N 3.08Å; V622-M624 PolarHBondContact O-N 3.1Å; V622-G625 PolarHBondContact O-N 2.02Å; V622-L744 HydrophobicContact CB-CB 4.43Å; V622-L744 VanDerWaalsContact CG1-C 3.45Å; V622-L744 HydrophobicContact CG1-CB 3.62Å; V622-L744 VanDerWaalsContact CG1-O 3.26Å; V622-L744 WeakPolarHBondContact CG1-O 3.3Å; V622-L744 HydrophobicContact CG2-CB 4.05Å; V622-C748 HydrophobicContact CG1-CB 4.2Å; V622-C748 VanDerWaalsContact CG1-SG 3.59Å; V622-C748 WeakPolarHBondContact O-CB 3.4Å
623	M	84.5	Confident	77.9	Confident	60 Å²	60	29.9 Å²	29.9	30%	0.296	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-19.2	173.7	-61.7	-151.4	-53.6	0	0	113.8	A619 T621 G625 F626 P627 Q787 L790	A619-M623 WeakPolarHBondContact O-CG 3.26Å; A619-M623 PolarHBondContact O-N 2.98Å; A619-M623 VanDerWaalsContact O-N 3.08Å; T621-M623 PolarHBondContact O-N 3.34Å; M623-G625 PolarHBondContact O-N 3.47Å; M623-G625 VanDerWaalsContact O-N 3.08Å; M623-F626 WeakPolarHBondContact O-CB 3.49Å; M623-F626 PolarHBondContact O-N 2.04Å; M623-P627 WeakPolarHBondContact O-CD 3.46Å; M623-Q787 HydrophobicContact CE-CB 3.97Å; M623-Q787 HydrophobicContact CE-CG 4.21Å; M623-L790 HydrophobicContact CE-CD1 3.47Å; M623-L790 VanDerWaalsContact CE-CD1 3.47Å
624	M	85.5	Confident	79.5	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-20.3	170	-88.4	-57.6	-172.2	0	0	114.1	T621 V622 F626 P627 I684 C688 V725 F745 Q787	T621-M624 WeakPolarHBondContact O-CB 3.41Å; T621-M624 PolarHBondContact O-N 3.34Å; V622-M624 PolarHBondContact O-N 3.1Å; M624-F626 VanDerWaalsContact C-N 3.29Å; M624-F626 PolarHBondContact O-N 3.39Å; M624-P627 WeakPolarHBondContact O-CD 3.31Å; M624-P627 WeakPolarHBondContact O-CG 3.41Å; M624-P627 HydrophobicContact SD-CG 4.45Å; M624-I684 HydrophobicContact CE-CG2 3.61Å; M624-I684 WeakPolarHBondContact CE-O 3.26Å; M624-I684 HydrophobicContact CG-CG2 4.35Å; M624-C688 HydrophobicContact CE-CB 4.23Å; M624-C688 WeakPolarHBondContact CE-SG 3.37Å; M624-V725 HydrophobicContact CB-CG1 4.49Å; M624-V725 HydrophobicContact CB-CG2 3.69Å; M624-V725 HydrophobicContact CG-CG2 3.84Å; M624-F745 HydrophobicContact CB-CE2 4.23Å; M624-Q787 VanDerWaalsContact N-NE2 3.19Å
625	G	85.2	Confident	80.9	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.2	-38.3	171.7	0	0	0	0	0	112.1	V622 M623 I628 G629 M749	V622-G625 PolarHBondContact O-N 2.02Å; M623-G625 PolarHBondContact O-N 3.47Å; M623-G625 VanDerWaalsContact O-N 3.08Å; G625-I628 PolarHBondContact O-N 3.39Å; G625-G629 PolarHBondContact O-N 3.5Å; G625-M749 VanDerWaalsContact O-CA 3.23Å; G625-M749 WeakPolarHBondContact O-CA 3.41Å; G625-M749 VanDerWaalsContact O-CG 3.3Å; G625-M749 WeakPolarHBondContact O-CG 3.32Å
626	F	90.1	Very high	81.9	Confident	32 Å²	32	16.8 Å²	16.8	14%	0.14	10%	0.095	C	C	.	.	H	α-helix	trans	-55.6	-56	-176	-176.5	-76.8	0	0	0	113.6	M623 M624 I628 G629 Y630 C748 I751 A755 P783	M623-F626 WeakPolarHBondContact O-CB 3.49Å; M623-F626 PolarHBondContact O-N 2.04Å; M624-F626 VanDerWaalsContact C-N 3.29Å; M624-F626 PolarHBondContact O-N 3.39Å; F626-I628 VanDerWaalsContact C-N 3.28Å; F626-I628 PolarHBondContact O-N 3.37Å; F626-G629 PolarHBondContact O-N 3.14Å; F626-Y630 HydrophobicContact CE1-CD2 4.01Å; F626-Y630 HydrophobicContact CE1-CG 4.17Å; F626-Y630 AromaticContact CZ-CD2 3.99Å; F626-Y630 HydrophobicContact CZ-CD2 3.99Å; F626-Y630 WeakPolarHBondContact O-CB 3.36Å; F626-Y630 PolarHBondContact O-N 3.45Å; F626-C748 VanDerWaalsContact CA-O 3.31Å; F626-C748 WeakPolarHBondContact CA-O 3.46Å; F626-C748 PolarHBondContact N-O 3.39Å; F626-I751 HydrophobicContact CD2-CB 4.42Å; F626-I751 HydrophobicContact CD2-CG2 3.95Å; F626-I751 HydrophobicContact CE2-CG2 4.1Å; F626-A755 HydrophobicContact CE2-CB 3.76Å; F626-A755 HydrophobicContact CZ-CB 3.65Å; F626-P783 HydrophobicContact CD1-CB 3.85Å; F626-P783 HydrophobicContact CD1-CG 3.73Å; F626-P783 HydrophobicContact CE1-CB 4.17Å; F626-P783 HydrophobicContact CE1-CG 3.51Å; F626-P783 HydrophobicContact CE2-CG 4.43Å; F626-P783 HydrophobicContact CG-CB 4.27Å; F626-P783 HydrophobicContact CG-CG 4.35Å; F626-P783 HydrophobicContact CZ-CG 3.88Å
627	P	90.3	Very high	82.5	Confident	1 Å²	1	12.7 Å²	12.7	1%	0.006	8%	0.078	C	C	.	.	H	α-helix	trans	-64.5	-30.1	-178.3	24	-35.3	0	0	0	113.5	M623 M624 N631 F691 V784	M623-P627 WeakPolarHBondContact O-CD 3.46Å; M624-P627 WeakPolarHBondContact O-CD 3.31Å; M624-P627 WeakPolarHBondContact O-CG 3.41Å; M624-P627 HydrophobicContact SD-CG 4.45Å; P627-N631 WeakPolarHBondContact O-CB 3.35Å; P627-N631 PolarHBondContact O-N 2.92Å; P627-N631 VanDerWaalsContact O-N 3.13Å; P627-N631 PolarHBondContact O-ND2 3.1Å; P627-F691 HydrophobicContact CB-CD1 4.05Å; P627-F691 HydrophobicContact CB-CD2 4.18Å; P627-F691 HydrophobicContact CB-CE1 4.13Å; P627-F691 HydrophobicContact CB-CE2 4.26Å; P627-F691 HydrophobicContact CB-CG 4.09Å; P627-F691 HydrophobicContact CB-CZ 4.24Å; P627-F691 HydrophobicContact CG-CD2 4.17Å; P627-F691 HydrophobicContact CG-CE2 4.12Å; P627-F691 HydrophobicContact CG-CZ 4.46Å; P627-V784 HydrophobicContact CB-CG2 3.6Å; P627-V784 HydrophobicContact CG-CG2 3.96Å
628	I	88.4	Confident	83.2	Confident	15 Å²	15	12 Å²	12	8%	0.077	7%	0.074	C	C	.	.	H	α-helix	trans	-64.3	-54.8	173.5	-61.5	165.3	0	0	0	109.1	G625 F626 Y630 N631 S632 F691 A718 A721 F745 M749	G625-I628 PolarHBondContact O-N 3.39Å; F626-I628 VanDerWaalsContact C-N 3.28Å; F626-I628 PolarHBondContact O-N 3.37Å; I628-Y630 PolarHBondContact O-N 2.9Å; I628-N631 PolarHBondContact O-N 2.91Å; I628-S632 WeakPolarHBondContact O-CB 3.45Å; I628-S632 PolarHBondContact O-N 3.39Å; I628-S632 VanDerWaalsContact O-N 3.11Å; I628-S632 PolarHBondContact O-OG 3.47Å; I628-S632 VanDerWaalsContact O-OG 3.13Å; I628-F691 HydrophobicContact CG1-CE2 4.26Å; I628-F691 HydrophobicContact CG1-CZ 3.73Å; I628-A718 HydrophobicContact CG1-CB 4.29Å; I628-A721 HydrophobicContact CD1-CB 3.89Å; I628-F745 HydrophobicContact CD1-CE2 3.87Å; I628-F745 HydrophobicContact CD1-CZ 3.59Å; I628-M749 HydrophobicContact CB-CE 4.23Å; I628-M749 HydrophobicContact CB-CG 4.4Å; I628-M749 HydrophobicContact CD1-CE 3.78Å; I628-M749 HydrophobicContact CG2-CE 3.91Å; I628-M749 HydrophobicContact CG2-SD 4.21Å
629	G	86.8	Confident	83.7	Confident	2 Å²	2	12.9 Å²	12.9	2%	0.021	8%	0.079	C	C	.	.	H	α-helix	trans	-57.8	-47.9	-179.6	0	0	0	0	0	113.2	G625 F626 S632 T633 M749	G625-G629 PolarHBondContact O-N 3.5Å; F626-G629 PolarHBondContact O-N 3.14Å; G629-S632 PolarHBondContact O-N 3.25Å; G629-T633 PolarHBondContact O-N 3.5Å; G629-T633 PolarHBondContact O-OG1 3.44Å; G629-M749 WeakPolarHBondContact CA-O 3.37Å
630	Y	90.2	Very high	83.8	Confident	5 Å²	5	12 Å²	12	2%	0.02	7%	0.067	C	C	.	.	H	α-helix	trans	-61.2	-50.5	-179.4	-172.3	-83.4	0	0	0	112.3	F626 I628 S632 T633 I634 G752 A755 S759 M776 G780	F626-Y630 HydrophobicContact CE1-CD2 4.01Å; F626-Y630 HydrophobicContact CE1-CG 4.17Å; F626-Y630 AromaticContact CZ-CD2 3.99Å; F626-Y630 HydrophobicContact CZ-CD2 3.99Å; F626-Y630 WeakPolarHBondContact O-CB 3.36Å; F626-Y630 PolarHBondContact O-N 3.45Å; I628-Y630 PolarHBondContact O-N 2.9Å; Y630-S632 VanDerWaalsContact C-N 3.32Å; Y630-S632 PolarHBondContact O-N 3.17Å; Y630-T633 PolarHBondContact O-N 3.3Å; Y630-I634 HydrophobicContact CD1-CB 4.36Å; Y630-I634 HydrophobicContact CD1-CG2 4.48Å; Y630-I634 HydrophobicContact CE1-CB 4.1Å; Y630-I634 HydrophobicContact CE1-CD1 4.21Å; Y630-I634 HydrophobicContact CE1-CG1 3.99Å; Y630-I634 HydrophobicContact CE1-CG2 4.4Å; Y630-I634 WeakPolarHBondContact O-CB 3.36Å; Y630-I634 WeakPolarHBondContact O-CG2 3.46Å; Y630-I634 PolarHBondContact O-N 3.49Å; Y630-G752 WeakPolarHBondContact CA-O 3.49Å; Y630-G752 WeakPolarHBondContact CD2-O 3.39Å; Y630-A755 HydrophobicContact CD2-CB 4.01Å; Y630-A755 HydrophobicContact CE2-CB 4.27Å; Y630-S759 PolarHBondContact OH-OG 3.3Å; Y630-M776 VanDerWaalsContact CE1-O 3.27Å; Y630-M776 WeakPolarHBondContact CE1-O 3.22Å; Y630-M776 PolarHBondContact OH-O 3.21Å; Y630-G780 VanDerWaalsContact CE1-CA 3.44Å
631	N	87.5	Confident	84	Confident	4 Å²	4	12.4 Å²	12.4	2%	0.021	7%	0.068	C	C	.	.	H	α-helix	trans	-69.2	-29.5	-176.2	-74.9	-65.8	0	0	0	112.8	P627 I628 R711 Q714	P627-N631 WeakPolarHBondContact O-CB 3.35Å; P627-N631 PolarHBondContact O-N 2.92Å; P627-N631 VanDerWaalsContact O-N 3.13Å; P627-N631 PolarHBondContact O-ND2 3.1Å; I628-N631 PolarHBondContact O-N 2.91Å; N631-R711 PolarHBondContact O-NH1 3Å; N631-Q714 PolarHBondContact OD1-NE2 3.47Å; N631-Q714 PolarHBondContact OD1-OE1 2.91Å
632	S	82.2	Confident	84.2	Confident	29 Å²	29	12.4 Å²	12.4	20%	0.203	7%	0.068	C	C	.	.	H	α-helix	trans	-68	-33.6	175.8	-70.7	0	0	0	0	113.8	I628 G629 Y630 V635	I628-S632 WeakPolarHBondContact O-CB 3.45Å; I628-S632 PolarHBondContact O-N 3.39Å; I628-S632 VanDerWaalsContact O-N 3.11Å; I628-S632 PolarHBondContact O-OG 3.47Å; I628-S632 VanDerWaalsContact O-OG 3.13Å; G629-S632 PolarHBondContact O-N 3.25Å; Y630-S632 VanDerWaalsContact C-N 3.32Å; Y630-S632 PolarHBondContact O-N 3.17Å; S632-V635 WeakPolarHBondContact O-CG1 3.27Å
633	T	83.8	Confident	84	Confident	18 Å²	18	17.4 Å²	17.4	11%	0.11	9%	0.086	C	C	.	.	H	α-helix	trans	-107.2	-22.7	-173.8	45.1	0	0	0	0	114.8	G629 Y630 V635 S636 Q753 S756	G629-T633 PolarHBondContact O-N 3.5Å; G629-T633 PolarHBondContact O-OG1 3.44Å; Y630-T633 PolarHBondContact O-N 3.3Å; T633-V635 PolarHBondContact O-N 3.5Å; T633-S636 WeakPolarHBondContact O-CB 3.43Å; T633-S636 PolarHBondContact O-N 3.07Å; T633-Q753 HydrophobicContact CG2-CB 4.27Å; T633-Q753 HydrophobicContact CG2-CG 3.81Å; T633-Q753 WeakPolarHBondContact OG1-CA 2.89Å; T633-S756 WeakPolarHBondContact CB-OG 3.41Å; T633-S756 PolarHBondContact OG1-OG 2.97Å
634	I	88.2	Confident	83.3	Confident	1 Å²	1	18.8 Å²	18.8	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-56.8	-23.5	174.6	-162.3	64.2	0	0	0	112.6	Y630 S636 A638 S756 S759 A760 M776 F777	Y630-I634 HydrophobicContact CD1-CB 4.36Å; Y630-I634 HydrophobicContact CD1-CG2 4.48Å; Y630-I634 HydrophobicContact CE1-CB 4.1Å; Y630-I634 HydrophobicContact CE1-CD1 4.21Å; Y630-I634 HydrophobicContact CE1-CG1 3.99Å; Y630-I634 HydrophobicContact CE1-CG2 4.4Å; Y630-I634 WeakPolarHBondContact O-CB 3.36Å; Y630-I634 WeakPolarHBondContact O-CG2 3.46Å; Y630-I634 PolarHBondContact O-N 3.49Å; I634-S636 VanDerWaalsContact C-N 3.26Å; I634-S636 PolarHBondContact O-N 3.48Å; I634-A638 VanDerWaalsContact O-CB 3.3Å; I634-A638 WeakPolarHBondContact O-CB 3.31Å; I634-A638 PolarHBondContact O-N 3.4Å; I634-S756 WeakPolarHBondContact CD1-O 3.49Å; I634-S759 VanDerWaalsContact CD1-OG 3.31Å; I634-S759 WeakPolarHBondContact CD1-OG 3Å; I634-A760 HydrophobicContact CD1-CB 4.33Å; I634-M776 HydrophobicContact CD1-CB 3.88Å; I634-M776 HydrophobicContact CD1-CG 4.25Å; I634-M776 HydrophobicContact CG1-CB 3.93Å; I634-F777 HydrophobicContact CG2-CD1 4.37Å; I634-F777 HydrophobicContact CG2-CE1 4Å
635	V	85.7	Confident	82.7	Confident	7 Å²	7	21.5 Å²	21.5	4%	0.042	11%	0.105	C	C	.	.	H	α-helix	trans	-59.1	-34.8	174.1	78.2	0	0	0	0	112.6	S632 T633 G637 A638 M639 I656 R711	S632-V635 WeakPolarHBondContact O-CG1 3.27Å; T633-V635 PolarHBondContact O-N 3.5Å; V635-G637 PolarHBondContact O-N 3.43Å; V635-A638 PolarHBondContact O-N 3.27Å; V635-M639 HydrophobicContact CG2-CE 4.14Å; V635-M639 WeakPolarHBondContact O-CB 3.4Å; V635-M639 PolarHBondContact O-N 3.32Å; V635-I656 HydrophobicContact CG2-CG2 4.28Å; V635-R711 VanDerWaalsContact CB-NH2 3.31Å
636	S	81.2	Confident	82.4	Confident	12 Å²	12	23.5 Å²	23.5	8%	0.084	11%	0.114	C	C	.	.	H	α-helix	trans	-66.5	-42.7	-174.4	-149.6	0	0	0	0	111.4	T633 I634 F872 G875	T633-S636 WeakPolarHBondContact O-CB 3.43Å; T633-S636 PolarHBondContact O-N 3.07Å; I634-S636 VanDerWaalsContact C-N 3.26Å; I634-S636 PolarHBondContact O-N 3.48Å; S636-F872 WeakPolarHBondContact CB-O 3.36Å; S636-F872 PolarHBondContact OG-O 2.85Å; S636-G875 PolarHBondContact OG-N 2.91Å
637	G	78.9	Confident	81.4	Confident	3 Å²	3	29 Å²	29	3%	0.031	13%	0.134	C	C	.	.	H	α-helix	trans	-73	-46	172.9	0	0	0	0	0	112.8	V635 M639 L640	V635-G637 PolarHBondContact O-N 3.43Å; G637-M639 VanDerWaalsContact C-N 3.32Å; G637-M639 PolarHBondContact O-N 3.35Å; G637-L640 PolarHBondContact O-N 3.35Å
638	A	83.7	Confident	80.6	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65.2	-31.5	-178.4	0	0	0	0	0	113.2	I634 V635 L640 I641 L642 M776 F777	I634-A638 VanDerWaalsContact O-CB 3.3Å; I634-A638 WeakPolarHBondContact O-CB 3.31Å; I634-A638 PolarHBondContact O-N 3.4Å; V635-A638 PolarHBondContact O-N 3.27Å; A638-L640 VanDerWaalsContact C-N 3.25Å; A638-L640 PolarHBondContact O-N 3.28Å; A638-I641 PolarHBondContact O-N 2.82Å; A638-I641 VanDerWaalsContact O-N 3.08Å; A638-L642 HydrophobicContact CB-CD1 3.95Å; A638-L642 WeakPolarHBondContact O-CB 3.49Å; A638-L642 VanDerWaalsContact O-CG 3.29Å; A638-L642 WeakPolarHBondContact O-CG 3.47Å; A638-L642 PolarHBondContact O-N 3.3Å; A638-M776 HydrophobicContact CB-SD 4.31Å; A638-F777 HydrophobicContact CB-CE2 4.38Å; A638-F777 HydrophobicContact CB-CZ 4.43Å
639	M	80	Confident	80	Confident	22 Å²	22	32.6 Å²	32.6	11%	0.108	15%	0.154	C	C	.	.	H	α-helix	trans	-60.9	-33.9	-179.3	-168.3	71.2	83.9	0	0	112.3	V635 G637 I641 L642 R643 L648 M653 I656 T657	V635-M639 HydrophobicContact CG2-CE 4.14Å; V635-M639 WeakPolarHBondContact O-CB 3.4Å; V635-M639 PolarHBondContact O-N 3.32Å; G637-M639 VanDerWaalsContact C-N 3.32Å; G637-M639 PolarHBondContact O-N 3.35Å; M639-I641 PolarHBondContact O-N 3.41Å; M639-L642 PolarHBondContact O-N 2.91Å; M639-R643 VanDerWaalsContact O-CB 3.23Å; M639-R643 WeakPolarHBondContact O-CB 3.44Å; M639-R643 PolarHBondContact O-N 2.94Å; M639-L648 HydrophobicContact SD-CD1 4.14Å; M639-M653 HydrophobicContact CE-CB 3.85Å; M639-M653 HydrophobicContact CE-CG 4.23Å; M639-M653 WeakPolarHBondContact CE-O 3.41Å; M639-M653 HydrophobicContact CG-CG 4.35Å; M639-M653 HydrophobicContact CG-SD 4.13Å; M639-M653 HydrophobicContact SD-CB 3.97Å; M639-M653 HydrophobicContact SD-CG 3.64Å; M639-M653 HydrophobicContact SD-SD 4.2Å; M639-I656 HydrophobicContact CE-CB 4.48Å; M639-I656 HydrophobicContact CE-CG2 4.37Å; M639-T657 VanDerWaalsContact CE-OG1 3.29Å; M639-T657 WeakPolarHBondContact CE-OG1 3.44Å
640	L	74.8	Confident	79.3	Confident	32 Å²	32	35.3 Å²	35.3	17%	0.168	17%	0.173	C	C	.	.	H	α-helix	trans	-61	-34.9	176.6	-63.3	173.4	0	0	0	111.8	G637 A638 T889 M890	G637-L640 PolarHBondContact O-N 3.35Å; A638-L640 VanDerWaalsContact C-N 3.25Å; A638-L640 PolarHBondContact O-N 3.28Å; L640-T889 HydrophobicContact CD1-CG2 3.99Å; L640-M890 HydrophobicContact CB-CE 3.71Å; L640-M890 HydrophobicContact CD1-CE 3.74Å; L640-M890 HydrophobicContact CD1-CG 3.81Å; L640-M890 HydrophobicContact CG-CE 4.35Å
641	I	78.6	Confident	78.9	Confident	13 Å²	13	40.7 Å²	40.7	7%	0.067	20%	0.201	C	C	.	.	H	α-helix	trans	-86.9	-43.7	177.9	-54.7	174.5	0	0	0	110.7	A638 M639 R643 E644 Q645 W773 M776 M890	A638-I641 PolarHBondContact O-N 2.82Å; A638-I641 VanDerWaalsContact O-N 3.08Å; M639-I641 PolarHBondContact O-N 3.41Å; I641-R643 VanDerWaalsContact C-N 3.33Å; I641-R643 PolarHBondContact O-N 3.37Å; I641-E644 PolarHBondContact O-N 3.5Å; I641-Q645 HydrophobicContact CG2-CG 4.32Å; I641-Q645 PolarHBondContact O-N 2.97Å; I641-Q645 VanDerWaalsContact O-N 3.08Å; I641-W773 HydrophobicContact CG2-CB 4.4Å; I641-M776 HydrophobicContact CD1-CE 3.73Å; I641-M890 HydrophobicContact CD1-CE 4.19Å; I641-M890 HydrophobicContact CG1-CE 3.94Å
642	L	80.8	Confident	78.7	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-65.2	-33.2	-177.4	-71.1	167.4	0	0	0	112.9	A638 M639 E644 Q645 F646 L648 L707 W773 F777	A638-L642 HydrophobicContact CB-CD1 3.95Å; A638-L642 WeakPolarHBondContact O-CB 3.49Å; A638-L642 VanDerWaalsContact O-CG 3.29Å; A638-L642 WeakPolarHBondContact O-CG 3.47Å; A638-L642 PolarHBondContact O-N 3.3Å; M639-L642 PolarHBondContact O-N 2.91Å; L642-E644 VanDerWaalsContact C-N 3.27Å; L642-E644 PolarHBondContact O-N 3.48Å; L642-Q645 PolarHBondContact O-N 2.93Å; L642-F646 HydrophobicContact CD2-CD2 3.85Å; L642-F646 HydrophobicContact CD2-CE2 3.78Å; L642-F646 PolarHBondContact O-N 3.49Å; L642-L648 HydrophobicContact CB-CD1 4Å; L642-L648 WeakPolarHBondContact O-CD1 3.42Å; L642-L707 HydrophobicContact CD1-CD2 3.95Å; L642-L707 HydrophobicContact CD2-CD2 4.13Å; L642-W773 HydrophobicContact CD2-CD2 4Å; L642-W773 HydrophobicContact CD2-CE3 4.07Å; L642-W773 HydrophobicContact CD2-CG 4.36Å; L642-W773 HydrophobicContact CD2-CZ3 4.48Å; L642-F777 HydrophobicContact CD1-CE2 4.49Å
643	R	77.2	Confident	78.6	Confident	109 Å²	109	43.4 Å²	43.4	41%	0.411	21%	0.208	S	C	.	.	H	α-helix	trans	-59.4	-41.1	174.2	-178.2	-179.9	176	-172.3	-5.3	111.3	M639 I641 Y647 L648 M653 Y1046	M639-R643 VanDerWaalsContact O-CB 3.23Å; M639-R643 WeakPolarHBondContact O-CB 3.44Å; M639-R643 PolarHBondContact O-N 2.94Å; I641-R643 VanDerWaalsContact C-N 3.33Å; I641-R643 PolarHBondContact O-N 3.37Å; R643-Y647 WeakPolarHBondContact O-CA 3.47Å; R643-Y647 PolarHBondContact O-N 3.17Å; R643-L648 PolarHBondContact O-N 3.46Å; R643-M653 HydrophobicContact CB-SD 4.45Å; R643-M653 HydrophobicContact CG-SD 4.2Å; R643-Y1046 PolarHBondContact NH2-OH 3.05Å
644	E	69.5	Low	78.4	Confident	88 Å²	88	44.5 Å²	44.5	41%	0.411	21%	0.212	S	C	.	.	H	α-helix	trans	-74.9	-39.3	-178.8	-63.8	172.9	-170.4	0	0	111.7	I641 L642 R886	I641-E644 PolarHBondContact O-N 3.5Å; L642-E644 VanDerWaalsContact C-N 3.27Å; L642-E644 PolarHBondContact O-N 3.48Å; E644-R886 IonicContact OE1-CZ 2.65Å; E644-R886 IonicContact OE1-NE 2.76Å; E644-R886 IonicContact OE1-NH1 3.8Å; E644-R886 IonicContact OE1-NH2 3.03Å; E644-R886 PolarHBondContact OE1-NH2 3.43Å; E644-R886 IonicContact OE2-CZ 2.67Å; E644-R886 IonicContact OE2-NH1 3.64Å; E644-R886 PolarHBondContact OE2-NH1 3Å; E644-R886 IonicContact OE2-NH2 3.43Å; E644-R886 PolarHBondContact OE2-NH2 3.47Å
645	Q	74.2	Confident	78.3	Confident	57 Å²	57	47.9 Å²	47.9	27%	0.266	23%	0.229	S	C	.	.	H	α-helix	trans	-79.1	-35.8	-177.2	-66.6	-163.8	-9.9	0	0	115	I641 L642 N770	I641-Q645 HydrophobicContact CG2-CG 4.32Å; I641-Q645 PolarHBondContact O-N 2.97Å; I641-Q645 VanDerWaalsContact O-N 3.08Å; L642-Q645 PolarHBondContact O-N 2.93Å; Q645-N770 VanDerWaalsContact CD-OD1 3.29Å; Q645-N770 PolarHBondContact NE2-OD1 3.37Å; Q645-N770 PolarHBondContact OE1-OD1 3.31Å
646	F	77.8	Confident	78.3	Confident	43 Å²	43	47.6 Å²	47.6	19%	0.189	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	9.8	-176	-69.7	-67	0	0	0	113.7	L642 L648 W773	L642-F646 HydrophobicContact CD2-CD2 3.85Å; L642-F646 HydrophobicContact CD2-CE2 3.78Å; L642-F646 PolarHBondContact O-N 3.49Å; F646-L648 VanDerWaalsContact C-N 3.35Å; F646-L648 HydrophobicContact CB-CD2 3.62Å; F646-L648 HydrophobicContact CB-CG 3.97Å; F646-L648 PolarHBondContact O-N 2.9Å; F646-W773 HydrophobicContact CE2-CZ2 4.46Å
647	Y	69.5	Low	78.3	Confident	146 Å²	146	47.3 Å²	47.3	57%	0.573	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.9	54.7	-177.6	-60.6	-85.5	0	0	0	112.2	R643 N649	R643-Y647 WeakPolarHBondContact O-CA 3.47Å; R643-Y647 PolarHBondContact O-N 3.17Å; Y647-N649 PolarHBondContact O-N 3.12Å
648	L	74.1	Confident	78.6	Confident	8 Å²	8	47.6 Å²	47.6	4%	0.042	23%	0.228	C	C	.	.			trans	-76.9	120.5	-172.5	-55.4	176.5	0	0	0	111.2	M639 L642 R643 F646 W652 M653 I656 K704	M639-L648 HydrophobicContact SD-CD1 4.14Å; L642-L648 HydrophobicContact CB-CD1 4Å; L642-L648 WeakPolarHBondContact O-CD1 3.42Å; R643-L648 PolarHBondContact O-N 3.46Å; F646-L648 VanDerWaalsContact C-N 3.35Å; F646-L648 HydrophobicContact CB-CD2 3.62Å; F646-L648 HydrophobicContact CB-CG 3.97Å; F646-L648 PolarHBondContact O-N 2.9Å; L648-W652 HydrophobicContact CB-CB 4.19Å; L648-W652 HydrophobicContact CD2-CB 3.96Å; L648-W652 HydrophobicContact CD2-CG 4.43Å; L648-M653 HydrophobicContact CB-CG 3.96Å; L648-I656 HydrophobicContact CD1-CD1 3.68Å; L648-I656 HydrophobicContact CD2-CD1 4.14Å; L648-K704 HydrophobicContact CD2-CB 4.4Å; L648-K704 HydrophobicContact CD2-CD 4.47Å
649	N	75.7	Confident	78.9	Confident	84 Å²	84	49.2 Å²	49.2	45%	0.449	24%	0.236	S	C	.	.			trans	-75.7	170.6	167.3	74.2	7.4	0	0	0	111.3	Y647 L651 W652 M653	Y647-N649 PolarHBondContact O-N 3.12Å; N649-L651 PolarHBondContact O-N 2.97Å; N649-L651 WeakPolarHBondContact OD1-CB 3.44Å; N649-L651 PolarHBondContact OD1-N 2.89Å; N649-W652 PolarHBondContact O-N 3.38Å; N649-W652 VanDerWaalsContact O-N 3.1Å; N649-W652 PolarHBondContact OD1-N 3.17Å; N649-M653 WeakPolarHBondContact O-CG 3.15Å; N649-M653 PolarHBondContact O-N 3.46Å
650	S	72.1	Confident	79.4	Confident	60 Å²	60	48.8 Å²	48.8	42%	0.42	24%	0.235	S	C	.	.	H	α-helix	trans	-55.7	-36.7	-179.2	-55.2	0	0	0	0	113.6	M653 Q654	S650-M653 PolarHBondContact O-N 3.37Å; S650-Q654 WeakPolarHBondContact O-CB 3.15Å; S650-Q654 VanDerWaalsContact O-CG 3.25Å; S650-Q654 WeakPolarHBondContact O-CG 3.17Å; S650-Q654 PolarHBondContact O-N 3.11Å
651	L	81.2	Confident	80	Confident	117 Å²	117	47.9 Å²	47.9	61%	0.613	23%	0.23	S	C	*	.	H	α-helix	trans	-64.1	-44.9	176.5	-178.2	68.8	0	0	0	112	N649 Q654 L655	N649-L651 PolarHBondContact O-N 2.97Å; N649-L651 WeakPolarHBondContact OD1-CB 3.44Å; N649-L651 PolarHBondContact OD1-N 2.89Å; L651-Q654 PolarHBondContact O-N 2.95Å; L651-L655 VanDerWaalsContact O-CB 3.3Å; L651-L655 WeakPolarHBondContact O-CB 3.46Å; L651-L655 PolarHBondContact O-N 2.94Å
652	W	83.2	Confident	80.5	Confident	65 Å²	65	48.1 Å²	48.1	25%	0.246	23%	0.234	C	C	.	.	H	α-helix	trans	-66	-38.3	176.2	-78.7	107.3	0	0	0	112.1	L648 N649 L655 I656 K704 V708	L648-W652 HydrophobicContact CB-CB 4.19Å; L648-W652 HydrophobicContact CD2-CB 3.96Å; L648-W652 HydrophobicContact CD2-CG 4.43Å; N649-W652 PolarHBondContact O-N 3.38Å; N649-W652 VanDerWaalsContact O-N 3.1Å; N649-W652 PolarHBondContact OD1-N 3.17Å; W652-L655 HydrophobicContact CE3-CD2 3.98Å; W652-L655 HydrophobicContact CZ3-CD2 3.84Å; W652-L655 PolarHBondContact O-N 3.18Å; W652-I656 WeakPolarHBondContact O-CB 3.28Å; W652-I656 WeakPolarHBondContact O-CD1 3.25Å; W652-I656 VanDerWaalsContact O-CG1 3.29Å; W652-I656 WeakPolarHBondContact O-CG1 3.27Å; W652-I656 PolarHBondContact O-N 3.22Å; W652-K704 HydrophobicContact CD2-CD 3.9Å; W652-K704 HydrophobicContact CE3-CB 4.49Å; W652-K704 HydrophobicContact CE3-CD 4.05Å; W652-K704 HydrophobicContact CE3-CG 4.33Å; W652-K704 HydrophobicContact CH2-CD 4.14Å; W652-K704 HydrophobicContact CH2-CG 4.25Å; W652-K704 HydrophobicContact CZ2-CD 3.98Å; W652-K704 HydrophobicContact CZ3-CD 4.16Å; W652-K704 HydrophobicContact CZ3-CG 4.11Å; W652-V708 HydrophobicContact CZ3-CG2 4.41Å
653	M	79.6	Confident	81.1	Confident	26 Å²	26	48.1 Å²	48.1	13%	0.128	23%	0.234	C	C	.	.	H	α-helix	trans	-63.9	-43.6	175.1	-65.6	-167.9	-73.8	0	0	111.9	M639 R643 L648 N649 S650 T657	M639-M653 HydrophobicContact CE-CB 3.85Å; M639-M653 HydrophobicContact CE-CG 4.23Å; M639-M653 WeakPolarHBondContact CE-O 3.41Å; M639-M653 HydrophobicContact CG-CG 4.35Å; M639-M653 HydrophobicContact CG-SD 4.13Å; M639-M653 HydrophobicContact SD-CB 3.97Å; M639-M653 HydrophobicContact SD-CG 3.64Å; M639-M653 HydrophobicContact SD-SD 4.2Å; R643-M653 HydrophobicContact CB-SD 4.45Å; R643-M653 HydrophobicContact CG-SD 4.2Å; L648-M653 HydrophobicContact CB-CG 3.96Å; N649-M653 WeakPolarHBondContact O-CG 3.15Å; N649-M653 PolarHBondContact O-N 3.46Å; S650-M653 PolarHBondContact O-N 3.37Å; M653-T657 WeakPolarHBondContact O-CB 3.47Å; M653-T657 PolarHBondContact O-N 2.91Å; M653-T657 PolarHBondContact O-OG1 2.96Å
654	Q	80.6	Confident	81.7	Confident	41 Å²	41	43.5 Å²	43.5	19%	0.192	22%	0.219	C	C	.	.	H	α-helix	trans	-63.6	-41.7	173.6	-72.9	168.2	0.7	0	0	111.7	S650 L651 T657 G658	S650-Q654 WeakPolarHBondContact O-CB 3.15Å; S650-Q654 VanDerWaalsContact O-CG 3.25Å; S650-Q654 WeakPolarHBondContact O-CG 3.17Å; S650-Q654 PolarHBondContact O-N 3.11Å; L651-Q654 PolarHBondContact O-N 2.95Å; Q654-T657 PolarHBondContact O-N 3.27Å; Q654-G658 PolarHBondContact O-N 3.08Å
655	L	86.5	Confident	82.6	Confident	71 Å²	71	39.8 Å²	39.8	37%	0.372	20%	0.202	S	C	.	.	H	α-helix	trans	-65.9	-47.9	-180	-178.5	62.3	0	0	0	112.5	L651 W652 T657 G658 I659	L651-L655 VanDerWaalsContact O-CB 3.3Å; L651-L655 WeakPolarHBondContact O-CB 3.46Å; L651-L655 PolarHBondContact O-N 2.94Å; W652-L655 HydrophobicContact CE3-CD2 3.98Å; W652-L655 HydrophobicContact CZ3-CD2 3.84Å; W652-L655 PolarHBondContact O-N 3.18Å; L655-T657 PolarHBondContact O-N 2.72Å; L655-G658 PolarHBondContact O-N 3.31Å; L655-I659 WeakPolarHBondContact O-CB 3.25Å; L655-I659 WeakPolarHBondContact O-CG2 3.35Å; L655-I659 PolarHBondContact O-N 3.4Å
656	I	85.7	Confident	83.4	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-59.1	-35.5	177.5	-71.6	162.6	0	0	0	111.2	V635 M639 L648 W652 L707 V708	V635-I656 HydrophobicContact CG2-CG2 4.28Å; M639-I656 HydrophobicContact CE-CB 4.48Å; M639-I656 HydrophobicContact CE-CG2 4.37Å; L648-I656 HydrophobicContact CD1-CD1 3.68Å; L648-I656 HydrophobicContact CD2-CD1 4.14Å; W652-I656 WeakPolarHBondContact O-CB 3.28Å; W652-I656 WeakPolarHBondContact O-CD1 3.25Å; W652-I656 VanDerWaalsContact O-CG1 3.29Å; W652-I656 WeakPolarHBondContact O-CG1 3.27Å; W652-I656 PolarHBondContact O-N 3.22Å; I656-L707 HydrophobicContact CD1-CD2 4.03Å; I656-L707 HydrophobicContact CG1-CD2 4.44Å; I656-L707 HydrophobicContact CG2-CD2 4.43Å; I656-V708 HydrophobicContact CG1-CG2 3.84Å
657	T	81.9	Confident	84.1	Confident	6 Å²	6	41.5 Å²	41.5	4%	0.037	21%	0.212	C	C	.	.	H	α-helix	trans	-82.5	-35.9	-179.3	-51.7	0	0	0	0	112.4	M639 M653 Q654 L655 I660 F872	M639-T657 VanDerWaalsContact CE-OG1 3.29Å; M639-T657 WeakPolarHBondContact CE-OG1 3.44Å; M653-T657 WeakPolarHBondContact O-CB 3.47Å; M653-T657 PolarHBondContact O-N 2.91Å; M653-T657 PolarHBondContact O-OG1 2.96Å; Q654-T657 PolarHBondContact O-N 3.27Å; L655-T657 PolarHBondContact O-N 2.72Å; T657-I660 WeakPolarHBondContact O-CG2 3.11Å; T657-F872 HydrophobicContact CG2-CB 4.09Å; T657-F872 HydrophobicContact CG2-CD2 3.37Å; T657-F872 HydrophobicContact CG2-CE2 4.01Å; T657-F872 HydrophobicContact CG2-CG 4.08Å
658	G	84.4	Confident	84.9	Confident	8 Å²	8	34.6 Å²	34.6	8%	0.082	19%	0.185	C	C	.	.	H	α-helix	trans	-84.1	-31	-176	0	0	0	0	0	114.7	Q654 L655 I660 I661 A662	Q654-G658 PolarHBondContact O-N 3.08Å; L655-G658 PolarHBondContact O-N 3.31Å; G658-I660 VanDerWaalsContact C-N 3.26Å; G658-I660 PolarHBondContact O-N 2.68Å; G658-I661 PolarHBondContact O-N 3.01Å; G658-A662 PolarHBondContact O-N 3.09Å
659	I	90.4	Very high	85.6	Confident	34 Å²	34	38 Å²	38	17%	0.174	20%	0.203	C	C	.	.	H	α-helix	trans	-61.2	-33	-173.1	-167.7	62.3	0	0	0	113.3	L655 A662 A663 V708 R711 F712	L655-I659 WeakPolarHBondContact O-CB 3.25Å; L655-I659 WeakPolarHBondContact O-CG2 3.35Å; L655-I659 PolarHBondContact O-N 3.4Å; I659-A662 PolarHBondContact O-N 2.91Å; I659-A663 WeakPolarHBondContact O-CB 3.42Å; I659-A663 PolarHBondContact O-N 3.27Å; I659-V708 HydrophobicContact CG1-CG1 4.2Å; I659-V708 HydrophobicContact CG2-CG1 4.35Å; I659-R711 HydrophobicContact CG2-CB 3.6Å; I659-F712 HydrophobicContact CD1-CD2 4.14Å; I659-F712 HydrophobicContact CG1-CB 4.16Å; I659-F712 HydrophobicContact CG1-CD2 4.2Å
660	I	89.5	Confident	86.3	Confident	14 Å²	14	37.7 Å²	37.7	7%	0.072	20%	0.201	C	C	.	.	H	α-helix	trans	-65.5	-38.3	176.3	-167.6	175.1	0	0	0	111.6	T657 G658 A664 Q714 G715	T657-I660 WeakPolarHBondContact O-CG2 3.11Å; G658-I660 VanDerWaalsContact C-N 3.26Å; G658-I660 PolarHBondContact O-N 2.68Å; I660-A664 VanDerWaalsContact O-CB 3.29Å; I660-A664 WeakPolarHBondContact O-CB 3.01Å; I660-A664 PolarHBondContact O-N 3.49Å; I660-Q714 HydrophobicContact CD1-CB 4.22Å; I660-G715 WeakPolarHBondContact O-CA 3.13Å
661	I	87.2	Confident	87.1	Confident	12 Å²	12	34.8 Å²	34.8	6%	0.062	18%	0.181	C	C	.	.	H	α-helix	trans	-72.2	-45.1	175	-56.8	166.2	0	0	0	109.8	G658 A663 A664 T665 T868 F872 C1110 C1113 W1114 A1117	G658-I661 PolarHBondContact O-N 3.01Å; I661-A663 VanDerWaalsContact C-N 3.32Å; I661-A663 PolarHBondContact O-N 3.47Å; I661-A664 CarbonylContact O-C 3.59Å; I661-A664 WeakPolarHBondContact O-CA 3.29Å; I661-A664 WeakPolarHBondContact O-CB 3.48Å; I661-A664 PolarHBondContact O-N 3.15Å; I661-T665 PolarHBondContact O-N 3.48Å; I661-T665 PolarHBondContact O-OG1 2.98Å; I661-T868 HydrophobicContact CD1-CG2 4.27Å; I661-F872 HydrophobicContact CD1-CE2 3.6Å; I661-F872 HydrophobicContact CD1-CZ 4.21Å; I661-F872 HydrophobicContact CG1-CE2 4.29Å; I661-C1110 HydrophobicContact CG2-CB 4.16Å; I661-C1110 VanDerWaalsContact CG2-O 3.23Å; I661-C1110 WeakPolarHBondContact CG2-O 2.98Å; I661-C1113 VanDerWaalsContact CD1-SG 3.55Å; I661-C1113 HydrophobicContact CG2-CB 4.15Å; I661-W1114 HydrophobicContact CB-CB 4.47Å; I661-W1114 HydrophobicContact CG2-CB 3.89Å; I661-A1117 HydrophobicContact CD1-CB 4.17Å
662	A	89.6	Confident	87.2	Confident	19 Å²	19	29.2 Å²	29.2	16%	0.157	15%	0.152	C	C	.	.	H	α-helix	trans	-57.8	-43.9	179.3	0	0	0	0	0	112.2	G658 I659 T665 I666	G658-A662 PolarHBondContact O-N 3.09Å; I659-A662 PolarHBondContact O-N 2.91Å; A662-T665 WeakPolarHBondContact O-CB 3.21Å; A662-T665 PolarHBondContact O-N 2.86Å; A662-I666 PolarHBondContact O-N 3.06Å
663	A	92.7	Very high	87.3	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.008	17%	0.169	C	C	.	.	H	α-helix	trans	-64.8	-42.5	171.9	0	0	0	0	0	112.1	I659 I661 T665 I666 F667 F712	I659-A663 WeakPolarHBondContact O-CB 3.42Å; I659-A663 PolarHBondContact O-N 3.27Å; I661-A663 VanDerWaalsContact C-N 3.32Å; I661-A663 PolarHBondContact O-N 3.47Å; A663-T665 VanDerWaalsContact C-N 3.29Å; A663-T665 PolarHBondContact O-N 2.96Å; A663-I666 PolarHBondContact O-N 3.01Å; A663-F667 WeakPolarHBondContact O-CD2 3.49Å; A663-F667 PolarHBondContact O-N 3.24Å; A663-F712 HydrophobicContact CB-CD2 3.76Å; A663-F712 HydrophobicContact CB-CE2 3.94Å; A663-F712 HydrophobicContact CB-CG 4.35Å
664	A	89.7	Confident	87.7	Confident	11 Å²	11	34.2 Å²	34.2	9%	0.091	17%	0.172	C	C	.	.	H	α-helix	trans	-63.7	-30.5	176.3	0	0	0	0	0	113.4	I660 I661 G668 G715	I660-A664 VanDerWaalsContact O-CB 3.29Å; I660-A664 WeakPolarHBondContact O-CB 3.01Å; I660-A664 PolarHBondContact O-N 3.49Å; I661-A664 CarbonylContact O-C 3.59Å; I661-A664 WeakPolarHBondContact O-CA 3.29Å; I661-A664 WeakPolarHBondContact O-CB 3.48Å; I661-A664 PolarHBondContact O-N 3.15Å; A664-G668 VanDerWaalsContact O-CA 3.32Å; A664-G668 WeakPolarHBondContact O-CA 3.29Å; A664-G668 PolarHBondContact O-N 3.04Å; A664-G715 WeakPolarHBondContact CA-O 3.31Å
665	T	88.8	Confident	87.9	Confident	11 Å²	11	32.2 Å²	32.2	7%	0.067	16%	0.162	C	C	.	.	H	α-helix	trans	-61.4	-50.4	172.3	-57.2	0	0	0	0	111.1	I661 A662 A663 L669 F1107 C1110 V1111	I661-T665 PolarHBondContact O-N 3.48Å; I661-T665 PolarHBondContact O-OG1 2.98Å; A662-T665 WeakPolarHBondContact O-CB 3.21Å; A662-T665 PolarHBondContact O-N 2.86Å; A663-T665 VanDerWaalsContact C-N 3.29Å; A663-T665 PolarHBondContact O-N 2.96Å; T665-L669 PolarHBondContact O-N 3.19Å; T665-F1107 HydrophobicContact CG2-CD2 3.44Å; T665-F1107 VanDerWaalsContact CG2-CD2 3.44Å; T665-F1107 HydrophobicContact CG2-CE2 3.51Å; T665-F1107 HydrophobicContact CG2-CG 4.37Å; T665-F1107 HydrophobicContact CG2-CZ 4.47Å; T665-C1110 HydrophobicContact CG2-CB 4.39Å; T665-C1110 WeakPolarHBondContact OG1-CB 3.24Å; T665-V1111 HydrophobicContact CG2-CG2 3.82Å
666	I	92	Very high	87.6	Confident	94 Å²	94	33 Å²	33	48%	0.482	16%	0.164	S	C	.	.	H	α-helix	trans	-68.1	-51.8	-178	-61.9	167.8	0	0	0	110.4	A662 A663 L669 L670	A662-I666 PolarHBondContact O-N 3.06Å; A663-I666 PolarHBondContact O-N 3.01Å; I666-L669 PolarHBondContact O-N 3.4Å; I666-L670 HydrophobicContact CG2-CD1 4.08Å; I666-L670 WeakPolarHBondContact O-CG 3.38Å; I666-L670 PolarHBondContact O-N 3Å; I666-L670 VanDerWaalsContact O-N 3.13Å
667	F	92.1	Very high	87.4	Confident	42 Å²	42	37.1 Å²	37.1	18%	0.184	19%	0.186	C	C	.	.	H	α-helix	trans	-76.1	-24.8	-175.3	-76.5	-90.3	0	0	0	113.3	A663 L670 A671 F712 M716 I720	A663-F667 WeakPolarHBondContact O-CD2 3.49Å; A663-F667 PolarHBondContact O-N 3.24Å; F667-L670 HydrophobicContact CD1-CD1 4.35Å; F667-L670 HydrophobicContact CE1-CD1 4.38Å; F667-A671 VanDerWaalsContact O-CB 3.24Å; F667-A671 WeakPolarHBondContact O-CB 3.01Å; F667-A671 PolarHBondContact O-N 3.33Å; F667-F712 HydrophobicContact CE2-CZ 4.22Å; F667-M716 HydrophobicContact CD1-CB 4.28Å; F667-M716 HydrophobicContact CD1-CG 4.39Å; F667-M716 HydrophobicContact CD2-CB 4.19Å; F667-M716 HydrophobicContact CD2-CG 3.75Å; F667-M716 HydrophobicContact CE1-CE 3.82Å; F667-M716 HydrophobicContact CE1-CG 4.26Å; F667-M716 HydrophobicContact CE2-CB 4.45Å; F667-M716 HydrophobicContact CE2-CE 4.48Å; F667-M716 HydrophobicContact CE2-CG 3.61Å; F667-M716 HydrophobicContact CE2-SD 4.46Å; F667-M716 HydrophobicContact CG-CB 4.11Å; F667-M716 HydrophobicContact CG-CG 4.15Å; F667-M716 HydrophobicContact CZ-CE 3.78Å; F667-M716 HydrophobicContact CZ-CG 3.88Å; F667-M716 HydrophobicContact CZ-SD 4.29Å; F667-I720 HydrophobicContact CB-CG1 4.45Å; F667-I720 HydrophobicContact CD1-CD1 4.44Å
668	G	87.2	Confident	87.5	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.8	-36.5	170.6	0	0	0	0	0	112.9	A664 T723 S1103	A664-G668 VanDerWaalsContact O-CA 3.32Å; A664-G668 WeakPolarHBondContact O-CA 3.29Å; A664-G668 PolarHBondContact O-N 3.04Å; G668-T723 PolarHBondContact O-OG1 3.06Å; G668-S1103 VanDerWaalsContact O-CB 3.25Å; G668-S1103 WeakPolarHBondContact O-CB 3.28Å
669	L	88.6	Confident	87.3	Confident	79 Å²	79	40.1 Å²	40.1	41%	0.414	20%	0.199	S	C	.	.	H	α-helix	trans	-69	-48.7	172.7	-174.2	61.3	0	0	0	111.4	T665 I666 A671 G672 F1107	T665-L669 PolarHBondContact O-N 3.19Å; I666-L669 PolarHBondContact O-N 3.4Å; L669-A671 VanDerWaalsContact C-N 3.26Å; L669-A671 PolarHBondContact O-N 3.07Å; L669-G672 PolarHBondContact O-N 2.96Å; L669-F1107 HydrophobicContact CB-CB 4.41Å; L669-F1107 HydrophobicContact CB-CD2 4.21Å; L669-F1107 HydrophobicContact CD1-CB 4.34Å; L669-F1107 HydrophobicContact CD2-CD2 4.06Å; L669-F1107 HydrophobicContact CD2-CE2 4.36Å
670	L	90.5	Very high	87.1	Confident	78 Å²	78	39.4 Å²	39.4	41%	0.408	19%	0.194	S	C	.	.	H	α-helix	trans	-63.5	-29.2	178.2	-68.2	172.1	0	0	0	113.4	I666 F667 G672 W673 L674	I666-L670 HydrophobicContact CG2-CD1 4.08Å; I666-L670 WeakPolarHBondContact O-CG 3.38Å; I666-L670 PolarHBondContact O-N 3Å; I666-L670 VanDerWaalsContact O-N 3.13Å; F667-L670 HydrophobicContact CD1-CD1 4.35Å; F667-L670 HydrophobicContact CE1-CD1 4.38Å; L670-G672 PolarHBondContact O-N 2.91Å; L670-W673 PolarHBondContact O-N 3.28Å; L670-W673 VanDerWaalsContact O-N 3.15Å; L670-L674 PolarHBondContact O-N 3.29Å; L670-L674 VanDerWaalsContact O-N 3.07Å
671	A	87.9	Confident	86.9	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.5	-27.9	-179.9	0	0	0	0	0	113.4	F667 L669 W673 L674 N675 T723	F667-A671 VanDerWaalsContact O-CB 3.24Å; F667-A671 WeakPolarHBondContact O-CB 3.01Å; F667-A671 PolarHBondContact O-N 3.33Å; L669-A671 VanDerWaalsContact C-N 3.26Å; L669-A671 PolarHBondContact O-N 3.07Å; A671-W673 VanDerWaalsContact C-N 3.34Å; A671-W673 PolarHBondContact O-N 3.23Å; A671-L674 PolarHBondContact O-N 2.93Å; A671-N675 WeakPolarHBondContact O-CB 3.22Å; A671-N675 PolarHBondContact O-N 3.06Å; A671-N675 PolarHBondContact O-ND2 3.05Å; A671-T723 HydrophobicContact CB-CG2 3.95Å
672	G	84	Confident	86.9	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-58.3	-46.2	174.5	0	0	0	0	0	112	L669 L670	L669-G672 PolarHBondContact O-N 2.96Å; L670-G672 PolarHBondContact O-N 2.91Å
673	W	85.1	Confident	86.9	Confident	159 Å²	159	46.7 Å²	46.7	60%	0.602	22%	0.222	S	C	*	.	H	α-helix	trans	-72.5	-42.9	177.7	178.1	79.5	0	0	0	112.7	L670 A671 N675 E676 L677	L670-W673 PolarHBondContact O-N 3.28Å; L670-W673 VanDerWaalsContact O-N 3.15Å; A671-W673 VanDerWaalsContact C-N 3.34Å; A671-W673 PolarHBondContact O-N 3.23Å; W673-N675 VanDerWaalsContact C-N 3.27Å; W673-N675 PolarHBondContact O-N 2.98Å; W673-E676 PolarHBondContact O-N 3.33Å; W673-L677 HydrophobicContact CD2-CD1 3.81Å; W673-L677 HydrophobicContact CE3-CD1 3.93Å; W673-L677 HydrophobicContact CH2-CD1 3.55Å; W673-L677 HydrophobicContact CZ2-CD1 3.42Å; W673-L677 VanDerWaalsContact CZ2-CD1 3.42Å; W673-L677 HydrophobicContact CZ3-CD1 3.8Å; W673-L677 PolarHBondContact O-N 3.16Å
674	L	88.4	Confident	86.8	Confident	36 Å²	36	47 Å²	47	19%	0.188	22%	0.223	C	C	.	.	H	α-helix	trans	-61.4	-33.7	178.4	-68.2	172.9	0	0	0	112.9	L670 A671 E676 L677 L678 L683	L670-L674 PolarHBondContact O-N 3.29Å; L670-L674 VanDerWaalsContact O-N 3.07Å; A671-L674 PolarHBondContact O-N 2.93Å; L674-E676 VanDerWaalsContact C-N 3.26Å; L674-E676 PolarHBondContact O-N 3.1Å; L674-L677 PolarHBondContact O-N 3.31Å; L674-L678 HydrophobicContact CD2-CD1 4.36Å; L674-L678 PolarHBondContact O-N 3.27Å; L674-L683 HydrophobicContact CB-CD1 4.11Å; L674-L683 HydrophobicContact CB-CD2 3.76Å; L674-L683 HydrophobicContact CD1-CD1 4.24Å
675	N	84.5	Confident	86.7	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.8	-31.1	177.9	-93	-64.1	0	0	0	113.5	A671 W673 R680 L683 T724	A671-N675 WeakPolarHBondContact O-CB 3.22Å; A671-N675 PolarHBondContact O-N 3.06Å; A671-N675 PolarHBondContact O-ND2 3.05Å; W673-N675 VanDerWaalsContact C-N 3.27Å; W673-N675 PolarHBondContact O-N 2.98Å; N675-R680 PolarHBondContact O-NH1 2.6Å; N675-L683 HydrophobicContact CB-CD2 4.42Å; N675-T724 PolarHBondContact ND2-OG1 3.08Å; N675-T724 VanDerWaalsContact OD1-CG2 3.28Å; N675-T724 WeakPolarHBondContact OD1-CG2 3.32Å; N675-T724 PolarHBondContact OD1-OG1 3.16Å
676	E	78.9	Confident	86.9	Confident	86 Å²	86	49.5 Å²	49.5	40%	0.402	24%	0.243	S	C	.	.	H	α-helix	trans	-78.7	-43.1	178.2	-62	-174.2	174.2	0	0	111.3	W673 L674 W800	W673-E676 PolarHBondContact O-N 3.33Å; L674-E676 VanDerWaalsContact C-N 3.26Å; L674-E676 PolarHBondContact O-N 3.1Å; E676-W800 PolarHBondContact O-NE1 3.15Å
677	L	81.3	Confident	86.9	Confident	89 Å²	89	45.1 Å²	45.1	47%	0.466	22%	0.22	S	C	.	.	H	α-helix	trans	-69.5	-55	-177.4	-67.5	-178.9	0	0	0	113.6	W673 L674	W673-L677 HydrophobicContact CD2-CD1 3.81Å; W673-L677 HydrophobicContact CE3-CD1 3.93Å; W673-L677 HydrophobicContact CH2-CD1 3.55Å; W673-L677 HydrophobicContact CZ2-CD1 3.42Å; W673-L677 VanDerWaalsContact CZ2-CD1 3.42Å; W673-L677 HydrophobicContact CZ3-CD1 3.8Å; W673-L677 PolarHBondContact O-N 3.16Å; L674-L677 PolarHBondContact O-N 3.31Å
678	L	84.3	Confident	86.8	Confident	78 Å²	78	43.1 Å²	43.1	41%	0.408	21%	0.211	S	C	.	.	H	α-helix	trans	-90.7	-23.8	-166.9	-64.5	176.3	0	0	0	113.9	L674 K682 L683	L674-L678 HydrophobicContact CD2-CD1 4.36Å; L674-L678 PolarHBondContact O-N 3.27Å; L678-K682 WeakPolarHBondContact O-CD 3.49Å; L678-L683 HydrophobicContact CD1-CD1 4.41Å
679	G	80.8	Confident	87.1	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.232	C	C	.	.			trans	85.7	157.7	-166.3	0	0	0	0	0	112.2	L683 W800	G679-L683 PolarHBondContact O-N 2.79Å; G679-W800 VanDerWaalsContact CA-CE2 3.41Å
680	R	85.6	Confident	87.4	Confident	19 Å²	19	45 Å²	45	7%	0.072	22%	0.221	C	C	.	.	H	α-helix	trans	-73.8	-44.3	-168	-73.8	64.7	159.7	147.7	-2.2	111.1	N675 K682 L683 I684 T724 Y728 E731 E796	N675-R680 PolarHBondContact O-NH1 2.6Å; R680-K682 PolarHBondContact O-N 3.01Å; R680-L683 PolarHBondContact O-N 3.1Å; R680-I684 VanDerWaalsContact O-CG1 3.31Å; R680-I684 WeakPolarHBondContact O-CG1 3.44Å; R680-I684 PolarHBondContact O-N 3.17Å; R680-T724 HydrophobicContact CB-CG2 4.47Å; R680-Y728 HydrophobicContact CB-CD2 3.41Å; R680-Y728 VanDerWaalsContact CB-CD2 3.41Å; R680-Y728 HydrophobicContact CB-CE2 4.17Å; R680-Y728 HydrophobicContact CB-CG 4.09Å; R680-Y728 HydrophobicContact CG-CD2 3.91Å; R680-Y728 HydrophobicContact CG-CG 4.46Å; R680-E731 IonicContact CZ-OE1 2.75Å; R680-E731 VanDerWaalsContact CZ-OE1 3.27Å; R680-E731 IonicContact CZ-OE2 2.91Å; R680-E731 IonicContact NE-OE1 2.65Å; R680-E731 PolarHBondContact NE-OE1 3.24Å; R680-E731 IonicContact NE-OE2 2.79Å; R680-E731 PolarHBondContact NE-OE2 3.48Å; R680-E731 IonicContact NH2-OE1 3.87Å; R680-E731 PolarHBondContact NH2-OE1 3.32Å; R680-E731 IonicContact NH2-OE2 3.93Å; R680-E796 PolarHBondContact N-OE1 3.46Å
681	K	85.8	Confident	87.5	Confident	60 Å²	60	41.4 Å²	41.4	26%	0.261	20%	0.202	S	C	.	.	H	α-helix	trans	-59.6	-44	179.8	-177.7	178.3	177.4	165.9	0	112	I684 S685 L791 I794 E796	K681-I684 PolarHBondContact O-N 3.37Å; K681-S685 PolarHBondContact O-N 3.24Å; K681-L791 WeakPolarHBondContact CE-O 3.45Å; K681-L791 PolarHBondContact NZ-O 3.42Å; K681-I794 WeakPolarHBondContact CD-O 3.01Å; K681-I794 WeakPolarHBondContact CE-O 3.23Å; K681-I794 PolarHBondContact NZ-O 3.46Å; K681-E796 VanDerWaalsContact CB-OE2 3.26Å; K681-E796 WeakPolarHBondContact CB-OE2 3.3Å; K681-E796 PolarHBondContact N-OE1 3.03Å; K681-E796 PolarHBondContact N-OE2 2.98Å; K681-E796 VanDerWaalsContact N-OE2 3.15Å
682	K	86.9	Confident	87.7	Confident	136 Å²	136	43.4 Å²	43.4	59%	0.591	21%	0.212	S	C	*	.	H	α-helix	trans	-64.7	-41.6	179.9	-63.6	-164.7	-171.6	178.4	0	112	L678 R680 S685 A686	L678-K682 WeakPolarHBondContact O-CD 3.49Å; R680-K682 PolarHBondContact O-N 3.01Å; K682-S685 WeakPolarHBondContact O-CB 3.34Å; K682-S685 PolarHBondContact O-N 3.21Å; K682-A686 PolarHBondContact O-N 3.23Å
683	L	90.2	Very high	88.2	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-70.4	-35.5	-179.3	-171.6	57.6	0	0	0	112.3	L674 N675 L678 G679 R680 A686 S687 I720 T724	L674-L683 HydrophobicContact CB-CD1 4.11Å; L674-L683 HydrophobicContact CB-CD2 3.76Å; L674-L683 HydrophobicContact CD1-CD1 4.24Å; N675-L683 HydrophobicContact CB-CD2 4.42Å; L678-L683 HydrophobicContact CD1-CD1 4.41Å; G679-L683 PolarHBondContact O-N 2.79Å; R680-L683 PolarHBondContact O-N 3.1Å; L683-A686 PolarHBondContact O-N 2.8Å; L683-S687 PolarHBondContact O-N 2.03Å; L683-I720 HydrophobicContact CD1-CD1 4.42Å; L683-I720 HydrophobicContact CD1-CG2 3.5Å; L683-I720 HydrophobicContact CD2-CG2 4.17Å; L683-I720 HydrophobicContact CG-CG2 3.51Å; L683-T724 HydrophobicContact CD2-CG2 4.43Å; L683-T724 WeakPolarHBondContact CD2-OG1 3.5Å
684	I	89.5	Confident	88.6	Confident	7 Å²	7	39.6 Å²	39.6	4%	0.036	20%	0.203	C	C	.	.	H	α-helix	trans	-61.1	-45.5	168.4	-68	167.6	0	0	0	110.5	T621 M624 R680 K681 A686 S687 C688 T724 Y728 L791	T621-I684 HydrophobicContact CG2-CD1 3.84Å; M624-I684 HydrophobicContact CE-CG2 3.61Å; M624-I684 WeakPolarHBondContact CE-O 3.26Å; M624-I684 HydrophobicContact CG-CG2 4.35Å; R680-I684 VanDerWaalsContact O-CG1 3.31Å; R680-I684 WeakPolarHBondContact O-CG1 3.44Å; R680-I684 PolarHBondContact O-N 3.17Å; K681-I684 PolarHBondContact O-N 3.37Å; I684-A686 VanDerWaalsContact C-N 3.33Å; I684-A686 PolarHBondContact O-N 3.09Å; I684-S687 WeakPolarHBondContact O-CB 2.85Å; I684-S687 PolarHBondContact O-N 3.22Å; I684-S687 VanDerWaalsContact O-N 3.17Å; I684-C688 PolarHBondContact O-N 2.99Å; I684-T724 HydrophobicContact CD1-CG2 4.23Å; I684-T724 HydrophobicContact CG1-CG2 3.75Å; I684-Y728 HydrophobicContact CD1-CD1 4.26Å; I684-Y728 HydrophobicContact CD1-CG 4.3Å; I684-L791 HydrophobicContact CG2-CD1 4.39Å; I684-L791 HydrophobicContact CG2-CD2 3.91Å
685	S	88.8	Confident	88.7	Confident	38 Å²	38	38 Å²	38	27%	0.266	19%	0.194	S	C	.	.	H	α-helix	trans	-61.9	-38.4	176.8	-164.5	0	0	0	0	112.8	K681 K682 C688 I689	K681-S685 PolarHBondContact O-N 3.24Å; K682-S685 WeakPolarHBondContact O-CB 3.34Å; K682-S685 PolarHBondContact O-N 3.21Å; S685-C688 PolarHBondContact O-N 3.1Å; S685-I689 WeakPolarHBondContact O-CG1 2.71Å; S685-I689 PolarHBondContact O-N 3.31Å
686	A	91.5	Very high	89	Confident	37 Å²	37	41.2 Å²	41.2	31%	0.306	21%	0.214	S	C	.	.	H	α-helix	trans	-64.6	-39.5	174.3	0	0	0	0	0	111.9	K682 L683 I684 I689 L690	K682-A686 PolarHBondContact O-N 3.23Å; L683-A686 PolarHBondContact O-N 2.8Å; I684-A686 VanDerWaalsContact C-N 3.33Å; I684-A686 PolarHBondContact O-N 3.09Å; A686-I689 PolarHBondContact O-N 3.05Å; A686-L690 WeakPolarHBondContact O-CG 3.26Å; A686-L690 PolarHBondContact O-N 2.98Å
687	S	91.9	Very high	89.7	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.007	21%	0.209	C	C	.	.	H	α-helix	trans	-63.1	-41	174.3	-179.5	0	0	0	0	112.5	L683 I684 I689 L690 F691 A717	L683-S687 PolarHBondContact O-N 2.03Å; I684-S687 WeakPolarHBondContact O-CB 2.85Å; I684-S687 PolarHBondContact O-N 3.22Å; I684-S687 VanDerWaalsContact O-N 3.17Å; S687-I689 VanDerWaalsContact C-N 3.32Å; S687-I689 PolarHBondContact O-N 2.97Å; S687-L690 PolarHBondContact O-N 2.99Å; S687-F691 WeakPolarHBondContact O-CD2 3.25Å; S687-F691 PolarHBondContact O-N 2.65Å; S687-A717 PolarHBondContact OG-O 3.36Å
688	C	91.8	Very high	90.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-55.5	-47.7	172.4	-83.4	0	0	0	0	111.5	M624 I684 S685 F691 I692 V784 L788	M624-C688 HydrophobicContact CE-CB 4.23Å; M624-C688 WeakPolarHBondContact CE-SG 3.37Å; I684-C688 PolarHBondContact O-N 2.99Å; S685-C688 PolarHBondContact O-N 3.1Å; C688-F691 PolarHBondContact O-N 3.12Å; C688-I692 WeakPolarHBondContact O-CG1 3.03Å; C688-I692 PolarHBondContact O-N 2.99Å; C688-V784 HydrophobicContact CB-CG1 4.04Å; C688-V784 WeakPolarHBondContact O-CG1 3.18Å; C688-L788 HydrophobicContact CB-CD1 4.17Å
689	I	92.9	Very high	90.3	Very high	83 Å²	83	32.7 Å²	32.7	43%	0.426	17%	0.173	S	C	.	.	H	α-helix	trans	-64.3	-44.5	-178.5	-66.2	164.6	0	0	0	110.5	S685 A686 S687 F691 I692 I693	S685-I689 WeakPolarHBondContact O-CG1 2.71Å; S685-I689 PolarHBondContact O-N 3.31Å; A686-I689 PolarHBondContact O-N 3.05Å; S687-I689 VanDerWaalsContact C-N 3.32Å; S687-I689 PolarHBondContact O-N 2.97Å; I689-F691 PolarHBondContact O-N 3.04Å; I689-I692 PolarHBondContact O-N 3.09Å; I689-I693 HydrophobicContact CG2-CD1 3.74Å; I689-I693 HydrophobicContact CG2-CG1 4.4Å; I689-I693 WeakPolarHBondContact O-CG1 3.25Å; I689-I693 PolarHBondContact O-N 3.42Å
690	L	94.2	Very high	90.7	Very high	35 Å²	35	37.8 Å²	37.8	18%	0.183	20%	0.2	C	C	.	.	H	α-helix	trans	-63	-39.6	176.2	-69.2	170.4	0	0	0	112.2	A686 S687 I692 I693 G694 V713 M716 A717 I720	A686-L690 WeakPolarHBondContact O-CG 3.26Å; A686-L690 PolarHBondContact O-N 2.98Å; S687-L690 PolarHBondContact O-N 2.99Å; L690-I692 PolarHBondContact O-N 3.08Å; L690-I693 PolarHBondContact O-N 2.75Å; L690-G694 PolarHBondContact O-N 3.46Å; L690-V713 HydrophobicContact CB-CG1 4.39Å; L690-V713 HydrophobicContact CD2-CG1 4.12Å; L690-V713 WeakPolarHBondContact O-CG1 3.46Å; L690-M716 HydrophobicContact CD1-CB 4.32Å; L690-M716 HydrophobicContact CD1-CE 4.47Å; L690-M716 HydrophobicContact CD2-CE 4.22Å; L690-A717 HydrophobicContact CB-CB 3.64Å; L690-I720 HydrophobicContact CD1-CD1 3.94Å
691	F	93	Very high	90.8	Very high	3 Å²	3	36.9 Å²	36.9	1%	0.013	20%	0.196	C	C	.	.	H	α-helix	trans	-62	-42.1	173.9	-89.2	-60.6	0	0	0	112.5	P627 I628 S687 C688 I689 A695 A717 A718 V784	P627-F691 HydrophobicContact CB-CD1 4.05Å; P627-F691 HydrophobicContact CB-CD2 4.18Å; P627-F691 HydrophobicContact CB-CE1 4.13Å; P627-F691 HydrophobicContact CB-CE2 4.26Å; P627-F691 HydrophobicContact CB-CG 4.09Å; P627-F691 HydrophobicContact CB-CZ 4.24Å; P627-F691 HydrophobicContact CG-CD2 4.17Å; P627-F691 HydrophobicContact CG-CE2 4.12Å; P627-F691 HydrophobicContact CG-CZ 4.46Å; I628-F691 HydrophobicContact CG1-CE2 4.26Å; I628-F691 HydrophobicContact CG1-CZ 3.73Å; S687-F691 WeakPolarHBondContact O-CD2 3.25Å; S687-F691 PolarHBondContact O-N 2.65Å; C688-F691 PolarHBondContact O-N 3.12Å; I689-F691 PolarHBondContact O-N 3.04Å; F691-A695 VanDerWaalsContact O-CB 3.25Å; F691-A695 WeakPolarHBondContact O-CB 3.37Å; F691-A695 PolarHBondContact O-N 3.44Å; F691-A717 HydrophobicContact CB-CB 4.39Å; F691-A717 HydrophobicContact CD1-CB 3.93Å; F691-A717 HydrophobicContact CD2-CB 3.51Å; F691-A717 HydrophobicContact CE1-CB 4Å; F691-A717 HydrophobicContact CE2-CB 3.59Å; F691-A717 HydrophobicContact CG-CB 3.66Å; F691-A717 HydrophobicContact CZ-CB 3.84Å; F691-A718 HydrophobicContact CZ-CB 4.02Å; F691-V784 HydrophobicContact CB-CG1 4.07Å; F691-V784 HydrophobicContact CB-CG2 4.33Å
692	I	92.4	Very high	90.6	Very high	42 Å²	42	39.9 Å²	39.9	22%	0.215	22%	0.215	C	C	.	.	H	α-helix	trans	-63.2	-50.3	176.1	-67.4	164.7	0	0	0	110.2	C688 I689 L690 G694 A695 V696 V784 V785 L788	C688-I692 WeakPolarHBondContact O-CG1 3.03Å; C688-I692 PolarHBondContact O-N 2.99Å; I689-I692 PolarHBondContact O-N 3.09Å; L690-I692 PolarHBondContact O-N 3.08Å; I692-G694 PolarHBondContact O-N 2.84Å; I692-A695 PolarHBondContact O-N 2.87Å; I692-V696 HydrophobicContact CG2-CG2 4.4Å; I692-V696 WeakPolarHBondContact O-CB 3.45Å; I692-V696 VanDerWaalsContact O-CG2 3.29Å; I692-V696 WeakPolarHBondContact O-CG2 3.41Å; I692-V696 PolarHBondContact O-N 3.06Å; I692-V784 HydrophobicContact CD1-CG1 4.16Å; I692-V784 HydrophobicContact CG1-CB 4.35Å; I692-V784 HydrophobicContact CG1-CG1 3.86Å; I692-V785 HydrophobicContact CD1-CG2 4.27Å; I692-L788 HydrophobicContact CD1-CD2 4.12Å
693	I	94	Very high	90.5	Very high	79 Å²	79	34.4 Å²	34.4	41%	0.405	20%	0.198	S	C	.	.	H	α-helix	trans	-58.9	-48.4	178.8	-66.6	167.4	0	0	0	110.8	I689 L690 A695 V696 L697 V713	I689-I693 HydrophobicContact CG2-CD1 3.74Å; I689-I693 HydrophobicContact CG2-CG1 4.4Å; I689-I693 WeakPolarHBondContact O-CG1 3.25Å; I689-I693 PolarHBondContact O-N 3.42Å; L690-I693 PolarHBondContact O-N 2.75Å; I693-A695 PolarHBondContact O-N 3.44Å; I693-V696 PolarHBondContact O-N 3.4Å; I693-L697 HydrophobicContact CG2-CD1 3.93Å; I693-L697 HydrophobicContact CG2-CG 4.35Å; I693-L697 WeakPolarHBondContact O-CB 3.02Å; I693-L697 VanDerWaalsContact O-CG 3.32Å; I693-L697 WeakPolarHBondContact O-CG 3.25Å; I693-L697 PolarHBondContact O-N 3.38Å; I693-V713 HydrophobicContact CB-CG1 4.36Å; I693-V713 HydrophobicContact CG2-CG1 4.17Å
694	G	92.9	Very high	90.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.9	-40.6	179.8	0	0	0	0	0	112.9	L690 I692 L697 T698	L690-G694 PolarHBondContact O-N 3.46Å; I692-G694 PolarHBondContact O-N 2.84Å; G694-L697 PolarHBondContact O-N 3.31Å; G694-T698 WeakPolarHBondContact O-CG2 3.13Å; G694-T698 PolarHBondContact O-N 2.64Å; G694-T698 PolarHBondContact O-OG1 3.42Å
695	A	91	Very high	90.2	Very high	2 Å²	2	44.6 Å²	44.6	2%	0.017	24%	0.244	C	C	.	.	H	α-helix	trans	-70.1	-35.6	175.9	0	0	0	0	0	113.5	F691 I692 I693 T698 S699 T781	F691-A695 VanDerWaalsContact O-CB 3.25Å; F691-A695 WeakPolarHBondContact O-CB 3.37Å; F691-A695 PolarHBondContact O-N 3.44Å; I692-A695 PolarHBondContact O-N 2.87Å; I693-A695 PolarHBondContact O-N 3.44Å; A695-T698 WeakPolarHBondContact CA-OG1 3.36Å; A695-T698 PolarHBondContact O-OG1 3.08Å; A695-S699 VanDerWaalsContact O-CB 3.32Å; A695-S699 WeakPolarHBondContact O-CB 3.34Å; A695-S699 PolarHBondContact O-N 3.47Å; A695-S699 PolarHBondContact O-OG 2.76Å; A695-T781 HydrophobicContact CB-CG2 3.34Å
696	V	91.7	Very high	90.3	Very high	68 Å²	68	46.5 Å²	46.5	41%	0.412	25%	0.25	S	S	.	.	H	α-helix	trans	-65.3	-46.4	172.1	169.1	0	0	0	0	110.4	I692 I693 T698 S699 I700	I692-V696 HydrophobicContact CG2-CG2 4.4Å; I692-V696 WeakPolarHBondContact O-CB 3.45Å; I692-V696 VanDerWaalsContact O-CG2 3.29Å; I692-V696 WeakPolarHBondContact O-CG2 3.41Å; I692-V696 PolarHBondContact O-N 3.06Å; I693-V696 PolarHBondContact O-N 3.4Å; V696-T698 PolarHBondContact O-N 3.14Å; V696-S699 PolarHBondContact O-N 3.36Å; V696-I700 HydrophobicContact CG1-CD1 3.62Å; V696-I700 HydrophobicContact CG1-CG1 4.4Å; V696-I700 WeakPolarHBondContact O-CB 3.33Å; V696-I700 WeakPolarHBondContact O-CG1 3.46Å; V696-I700 PolarHBondContact O-N 3.3Å
697	L	93	Very high	90.2	Very high	55 Å²	55	44.8 Å²	44.8	29%	0.288	24%	0.236	S	C	.	.	H	α-helix	trans	-58.4	-45	175.4	-73.7	172.1	0	0	0	112.2	I693 G694 S701 M709 V713	I693-L697 HydrophobicContact CG2-CD1 3.93Å; I693-L697 HydrophobicContact CG2-CG 4.35Å; I693-L697 WeakPolarHBondContact O-CB 3.02Å; I693-L697 VanDerWaalsContact O-CG 3.32Å; I693-L697 WeakPolarHBondContact O-CG 3.25Å; I693-L697 PolarHBondContact O-N 3.38Å; G694-L697 PolarHBondContact O-N 3.31Å; L697-S701 WeakPolarHBondContact O-CB 3.36Å; L697-S701 PolarHBondContact O-N 2.81Å; L697-S701 VanDerWaalsContact O-N 3.09Å; L697-M709 HydrophobicContact CD1-CG 4.49Å; L697-V713 HydrophobicContact CD1-CG2 4.07Å
698	T	90.1	Very high	90.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-67.3	-37.5	175	52.1	0	0	0	0	112.5	G694 A695 V696 S701 L707 R711 W773 F777	G694-T698 WeakPolarHBondContact O-CG2 3.13Å; G694-T698 PolarHBondContact O-N 2.64Å; G694-T698 PolarHBondContact O-OG1 3.42Å; A695-T698 WeakPolarHBondContact CA-OG1 3.36Å; A695-T698 PolarHBondContact O-OG1 3.08Å; V696-T698 PolarHBondContact O-N 3.14Å; T698-S701 PolarHBondContact O-OG 3.45Å; T698-S701 VanDerWaalsContact O-OG 3.07Å; T698-L707 HydrophobicContact CG2-CD1 4.06Å; T698-R711 HydrophobicContact CG2-CG 4.39Å; T698-W773 VanDerWaalsContact O-CZ3 3.31Å; T698-W773 WeakPolarHBondContact O-CZ3 3.5Å; T698-F777 HydrophobicContact CG2-CD1 4.35Å; T698-F777 HydrophobicContact CG2-CE1 4.35Å; T698-F777 WeakPolarHBondContact OG1-CD1 3.46Å
699	S	88.8	Confident	90.2	Very high	19 Å²	19	51 Å²	51	13%	0.133	27%	0.268	C	S	.	.	H	α-helix	trans	-72.4	-30.6	-178.6	-54.1	0	0	0	0	112.8	A695 V696 R774 F777 A778	A695-S699 VanDerWaalsContact O-CB 3.32Å; A695-S699 WeakPolarHBondContact O-CB 3.34Å; A695-S699 PolarHBondContact O-N 3.47Å; A695-S699 PolarHBondContact O-OG 2.76Å; V696-S699 PolarHBondContact O-N 3.36Å; S699-R774 WeakPolarHBondContact O-CD 3.49Å; S699-R774 WeakPolarHBondContact O-CG 3.14Å; S699-R774 PolarHBondContact O-NH1 2.76Å; S699-F777 WeakPolarHBondContact OG-CB 3.42Å; S699-A778 PolarHBondContact OG-N 2.91Å
700	I	89.6	Confident	90.2	Very high	107 Å²	107	47.1 Å²	47.1	55%	0.549	25%	0.248	S	C	.	.	H	α-helix	trans	-88.1	-18.1	179.7	-63.8	177.1	0	0	0	111.9	V696 N702 R774	V696-I700 HydrophobicContact CG1-CD1 3.62Å; V696-I700 HydrophobicContact CG1-CG1 4.4Å; V696-I700 WeakPolarHBondContact O-CB 3.33Å; V696-I700 WeakPolarHBondContact O-CG1 3.46Å; V696-I700 PolarHBondContact O-N 3.3Å; I700-N702 PolarHBondContact O-N 2.83Å; I700-N702 VanDerWaalsContact O-N 3.12Å; I700-N702 PolarHBondContact O-OD1 3.21Å; I700-R774 PolarHBondContact O-NH1 3.07Å
701	S	86.1	Confident	90.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.24	C	C	.	.			trans	-52.8	115.4	-168.9	68.3	0	0	0	0	114.8	L697 T698 W773	L697-S701 WeakPolarHBondContact O-CB 3.36Å; L697-S701 PolarHBondContact O-N 2.81Å; L697-S701 VanDerWaalsContact O-N 3.09Å; T698-S701 PolarHBondContact O-OG 3.45Å; T698-S701 VanDerWaalsContact O-OG 3.07Å; S701-W773 WeakPolarHBondContact O-CH2 3.28Å
702	N	82.5	Confident	90.1	Very high	123 Å²	123	48.8 Å²	48.8	66%	0.658	25%	0.254	S	S	*	.	S	Bend	trans	-92.6	5.3	173.8	-65.2	-29.7	0	0	0	113.1	I700 R774	I700-N702 PolarHBondContact O-N 2.83Å; I700-N702 VanDerWaalsContact O-N 3.12Å; I700-N702 PolarHBondContact O-OD1 3.21Å; N702-R774 PolarHBondContact OD1-NH2 2.67Å
703	G	84.2	Confident	90.2	Very high	22 Å²	22	47.5 Å²	47.5	23%	0.227	25%	0.248	C	C	.	.	S	Bend	trans	-160	152.5	-179.6	0	0	0	0	0	112.3	Q705 I706 L707	G703-Q705 PolarHBondContact O-N 3.36Å; G703-Q705 VanDerWaalsContact O-N 3.09Å; G703-I706 PolarHBondContact O-N 3Å; G703-L707 PolarHBondContact O-N 2.94Å
704	K	84.8	Confident	90.2	Very high	71 Å²	71	43.8 Å²	43.8	31%	0.309	23%	0.229	S	C	.	.	H	α-helix	trans	-53.7	-30.1	-177.4	62.6	-170.7	177.5	-173.7	0	114.6	L648 W652 V708	L648-K704 HydrophobicContact CD2-CB 4.4Å; L648-K704 HydrophobicContact CD2-CD 4.47Å; W652-K704 HydrophobicContact CD2-CD 3.9Å; W652-K704 HydrophobicContact CE3-CB 4.49Å; W652-K704 HydrophobicContact CE3-CD 4.05Å; W652-K704 HydrophobicContact CE3-CG 4.33Å; W652-K704 HydrophobicContact CH2-CD 4.14Å; W652-K704 HydrophobicContact CH2-CG 4.25Å; W652-K704 HydrophobicContact CZ2-CD 3.98Å; W652-K704 HydrophobicContact CZ3-CD 4.16Å; W652-K704 HydrophobicContact CZ3-CG 4.11Å; K704-V708 WeakPolarHBondContact O-CG2 3.32Å; K704-V708 PolarHBondContact O-N 3.37Å; K704-V708 VanDerWaalsContact O-N 3.07Å
705	Q	88.6	Confident	90.1	Very high	151 Å²	151	43.8 Å²	43.8	71%	0.706	23%	0.229	S	C	*	.	H	α-helix	trans	-67.4	-44.5	176	-69.4	174	-20.6	0	0	112.8	G703 L707 V708 M709	G703-Q705 PolarHBondContact O-N 3.36Å; G703-Q705 VanDerWaalsContact O-N 3.09Å; Q705-L707 VanDerWaalsContact C-N 3.31Å; Q705-L707 PolarHBondContact O-N 2.86Å; Q705-V708 PolarHBondContact O-N 3.36Å; Q705-M709 PolarHBondContact O-N 3.39Å
706	I	90.9	Very high	90.3	Very high	78 Å²	78	45.4 Å²	45.4	40%	0.4	24%	0.236	S	C	.	.	H	α-helix	trans	-68	-36.5	179.1	-57.6	173	0	0	0	110	G703 M709 G710	G703-I706 PolarHBondContact O-N 3Å; I706-M709 PolarHBondContact O-N 3.11Å; I706-G710 PolarHBondContact O-N 3.47Å
707	L	89.6	Confident	90.3	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-59.9	-47.6	173	-175.1	70.9	0	0	0	111.3	L642 I656 T698 G703 Q705 M709 G710 R711 F777	L642-L707 HydrophobicContact CD1-CD2 3.95Å; L642-L707 HydrophobicContact CD2-CD2 4.13Å; I656-L707 HydrophobicContact CD1-CD2 4.03Å; I656-L707 HydrophobicContact CG1-CD2 4.44Å; I656-L707 HydrophobicContact CG2-CD2 4.43Å; T698-L707 HydrophobicContact CG2-CD1 4.06Å; G703-L707 PolarHBondContact O-N 2.94Å; Q705-L707 VanDerWaalsContact C-N 3.31Å; Q705-L707 PolarHBondContact O-N 2.86Å; L707-M709 VanDerWaalsContact C-N 3.35Å; L707-M709 PolarHBondContact O-N 3.45Å; L707-G710 PolarHBondContact O-N 3.13Å; L707-R711 WeakPolarHBondContact O-CG 3.33Å; L707-R711 PolarHBondContact O-N 3.39Å; L707-F777 HydrophobicContact CD1-CE2 4.11Å; L707-F777 HydrophobicContact CD1-CZ 4.21Å
708	V	91.3	Very high	90.2	Very high	25 Å²	25	40 Å²	40	15%	0.152	21%	0.207	C	C	.	.	H	α-helix	trans	-61.5	-40.6	175	168.6	0	0	0	0	111.6	W652 I656 I659 K704 Q705 R711 F712	W652-V708 HydrophobicContact CZ3-CG2 4.41Å; I656-V708 HydrophobicContact CG1-CG2 3.84Å; I659-V708 HydrophobicContact CG1-CG1 4.2Å; I659-V708 HydrophobicContact CG2-CG1 4.35Å; K704-V708 WeakPolarHBondContact O-CG2 3.32Å; K704-V708 PolarHBondContact O-N 3.37Å; K704-V708 VanDerWaalsContact O-N 3.07Å; Q705-V708 PolarHBondContact O-N 3.36Å; V708-R711 PolarHBondContact O-N 3.25Å; V708-F712 PolarHBondContact O-N 3.49Å
709	M	93	Very high	90.2	Very high	108 Å²	108	40 Å²	40	53%	0.532	21%	0.207	S	C	.	.	H	α-helix	trans	-62	-45.8	175.1	-173.5	63.5	74.1	0	0	112	L697 Q705 I706 L707 R711 F712 V713	L697-M709 HydrophobicContact CD1-CG 4.49Å; Q705-M709 PolarHBondContact O-N 3.39Å; I706-M709 PolarHBondContact O-N 3.11Å; L707-M709 VanDerWaalsContact C-N 3.35Å; L707-M709 PolarHBondContact O-N 3.45Å; M709-R711 VanDerWaalsContact C-N 3.32Å; M709-R711 PolarHBondContact O-N 3.07Å; M709-F712 WeakPolarHBondContact O-CB 3.48Å; M709-F712 PolarHBondContact O-N 3.14Å; M709-V713 WeakPolarHBondContact O-CG2 3.48Å; M709-V713 PolarHBondContact O-N 3.13Å
710	G	92.5	Very high	90.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.3	-40.6	175	0	0	0	0	0	112.5	I706 L707 V713 Q714	I706-G710 PolarHBondContact O-N 3.47Å; L707-G710 PolarHBondContact O-N 3.13Å; G710-V713 PolarHBondContact O-N 3.14Å; G710-Q714 WeakPolarHBondContact O-CG 3.32Å; G710-Q714 PolarHBondContact O-N 2.63Å
711	R	91.8	Very high	90.3	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.015	18%	0.177	C	C	.	.	H	α-helix	trans	-65.1	-37.6	173.5	-69.6	-51.2	-158.8	160.3	11.7	113.5	N631 V635 I659 T698 L707 V708 M709 Q714 G715 F777	N631-R711 PolarHBondContact O-NH1 3Å; V635-R711 VanDerWaalsContact CB-NH2 3.31Å; I659-R711 HydrophobicContact CG2-CB 3.6Å; T698-R711 HydrophobicContact CG2-CG 4.39Å; L707-R711 WeakPolarHBondContact O-CG 3.33Å; L707-R711 PolarHBondContact O-N 3.39Å; V708-R711 PolarHBondContact O-N 3.25Å; M709-R711 VanDerWaalsContact C-N 3.32Å; M709-R711 PolarHBondContact O-N 3.07Å; R711-Q714 VanDerWaalsContact CD-OE1 3.25Å; R711-Q714 PolarHBondContact O-N 2.88Å; R711-G715 PolarHBondContact O-N 3.49Å; R711-F777 VanDerWaalsContact CZ-CE1 3.46Å
712	F	94.1	Very high	90.4	Very high	69 Å²	69	35.2 Å²	35.2	30%	0.303	18%	0.182	S	C	.	.	H	α-helix	trans	-61.3	-47.8	173.4	179.1	-92.2	0	0	0	111.1	I659 A663 F667 V708 M709 Q714 G715 M716	I659-F712 HydrophobicContact CD1-CD2 4.14Å; I659-F712 HydrophobicContact CG1-CB 4.16Å; I659-F712 HydrophobicContact CG1-CD2 4.2Å; A663-F712 HydrophobicContact CB-CD2 3.76Å; A663-F712 HydrophobicContact CB-CE2 3.94Å; A663-F712 HydrophobicContact CB-CG 4.35Å; F667-F712 HydrophobicContact CE2-CZ 4.22Å; V708-F712 PolarHBondContact O-N 3.49Å; M709-F712 WeakPolarHBondContact O-CB 3.48Å; M709-F712 PolarHBondContact O-N 3.14Å; F712-Q714 PolarHBondContact O-N 3.1Å; F712-G715 CarbonylContact O-C 3.54Å; F712-G715 WeakPolarHBondContact O-CA 3.06Å; F712-G715 PolarHBondContact O-N 3.26Å; F712-M716 HydrophobicContact CD1-CG 4.25Å; F712-M716 HydrophobicContact CD1-SD 3.93Å; F712-M716 HydrophobicContact CE1-CG 3.98Å; F712-M716 HydrophobicContact CE1-SD 3.63Å; F712-M716 WeakPolarHBondContact O-CG 3.43Å; F712-M716 PolarHBondContact O-N 3.03Å
713	V	94.7	Very high	90.6	Very high	16 Å²	16	29.4 Å²	29.4	10%	0.097	15%	0.15	C	C	.	.	H	α-helix	trans	-63	-39.7	177.6	177.2	0	0	0	0	112.1	L690 I693 L697 M709 G710 G715 M716 A717	L690-V713 HydrophobicContact CB-CG1 4.39Å; L690-V713 HydrophobicContact CD2-CG1 4.12Å; L690-V713 WeakPolarHBondContact O-CG1 3.46Å; I693-V713 HydrophobicContact CB-CG1 4.36Å; I693-V713 HydrophobicContact CG2-CG1 4.17Å; L697-V713 HydrophobicContact CD1-CG2 4.07Å; M709-V713 WeakPolarHBondContact O-CG2 3.48Å; M709-V713 PolarHBondContact O-N 3.13Å; G710-V713 PolarHBondContact O-N 3.14Å; V713-G715 VanDerWaalsContact C-N 3.29Å; V713-G715 PolarHBondContact O-N 3.25Å; V713-M716 HydrophobicContact CG2-SD 4.38Å; V713-M716 WeakPolarHBondContact O-CB 3.3Å; V713-M716 PolarHBondContact O-N 2.95Å; V713-A717 PolarHBondContact O-N 3.47Å; V713-A717 VanDerWaalsContact O-N 3.13Å
714	Q	92.7	Very high	90.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.8	-37.3	170.6	-71.3	176.8	-8.5	0	0	112.2	N631 I660 G710 R711 F712 A717 A718	N631-Q714 PolarHBondContact OD1-NE2 3.47Å; N631-Q714 PolarHBondContact OD1-OE1 2.91Å; I660-Q714 HydrophobicContact CD1-CB 4.22Å; G710-Q714 WeakPolarHBondContact O-CG 3.32Å; G710-Q714 PolarHBondContact O-N 2.63Å; R711-Q714 VanDerWaalsContact CD-OE1 3.25Å; R711-Q714 PolarHBondContact O-N 2.88Å; F712-Q714 PolarHBondContact O-N 3.1Å; Q714-A717 WeakPolarHBondContact O-CB 3.33Å; Q714-A717 PolarHBondContact O-N 3.16Å; Q714-A718 WeakPolarHBondContact O-CB 3.39Å; Q714-A718 PolarHBondContact O-N 3.19Å
715	G	91.9	Very high	90.9	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-68.2	-36.8	176.1	0	0	0	0	0	113.5	I660 A664 R711 F712 V713 A718 G719	I660-G715 WeakPolarHBondContact O-CA 3.13Å; A664-G715 WeakPolarHBondContact CA-O 3.31Å; R711-G715 PolarHBondContact O-N 3.49Å; F712-G715 CarbonylContact O-C 3.54Å; F712-G715 WeakPolarHBondContact O-CA 3.06Å; F712-G715 PolarHBondContact O-N 3.26Å; V713-G715 VanDerWaalsContact C-N 3.29Å; V713-G715 PolarHBondContact O-N 3.25Å; G715-A718 PolarHBondContact O-N 3.27Å; G715-G719 PolarHBondContact O-N 3.33Å
716	M	94.4	Very high	90.6	Very high	37 Å²	37	18.2 Å²	18.2	18%	0.182	9%	0.094	C	C	.	.	H	α-helix	trans	-57.3	-49.7	169.2	-59.9	169.8	60.3	0	0	110.7	F667 L690 F712 V713 A718 G719 I720	F667-M716 HydrophobicContact CD1-CB 4.28Å; F667-M716 HydrophobicContact CD1-CG 4.39Å; F667-M716 HydrophobicContact CD2-CB 4.19Å; F667-M716 HydrophobicContact CD2-CG 3.75Å; F667-M716 HydrophobicContact CE1-CE 3.82Å; F667-M716 HydrophobicContact CE1-CG 4.26Å; F667-M716 HydrophobicContact CE2-CB 4.45Å; F667-M716 HydrophobicContact CE2-CE 4.48Å; F667-M716 HydrophobicContact CE2-CG 3.61Å; F667-M716 HydrophobicContact CE2-SD 4.46Å; F667-M716 HydrophobicContact CG-CB 4.11Å; F667-M716 HydrophobicContact CG-CG 4.15Å; F667-M716 HydrophobicContact CZ-CE 3.78Å; F667-M716 HydrophobicContact CZ-CG 3.88Å; F667-M716 HydrophobicContact CZ-SD 4.29Å; L690-M716 HydrophobicContact CD1-CB 4.32Å; L690-M716 HydrophobicContact CD1-CE 4.47Å; L690-M716 HydrophobicContact CD2-CE 4.22Å; F712-M716 HydrophobicContact CD1-CG 4.25Å; F712-M716 HydrophobicContact CD1-SD 3.93Å; F712-M716 HydrophobicContact CE1-CG 3.98Å; F712-M716 HydrophobicContact CE1-SD 3.63Å; F712-M716 WeakPolarHBondContact O-CG 3.43Å; F712-M716 PolarHBondContact O-N 3.03Å; V713-M716 HydrophobicContact CG2-SD 4.38Å; V713-M716 WeakPolarHBondContact O-CB 3.3Å; V713-M716 PolarHBondContact O-N 2.95Å; M716-A718 PolarHBondContact O-N 3.07Å; M716-G719 PolarHBondContact O-N 2.86Å; M716-I720 WeakPolarHBondContact O-CG1 3.48Å; M716-I720 PolarHBondContact O-N 3Å; M716-I720 VanDerWaalsContact O-N 3.14Å
717	A	92.8	Very high	90.2	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.9	-43.8	-179.8	0	0	0	0	0	112.1	S687 L690 F691 V713 Q714 A721	S687-A717 PolarHBondContact OG-O 3.36Å; L690-A717 HydrophobicContact CB-CB 3.64Å; F691-A717 HydrophobicContact CB-CB 4.39Å; F691-A717 HydrophobicContact CD1-CB 3.93Å; F691-A717 HydrophobicContact CD2-CB 3.51Å; F691-A717 HydrophobicContact CE1-CB 4Å; F691-A717 HydrophobicContact CE2-CB 3.59Å; F691-A717 HydrophobicContact CG-CB 3.66Å; F691-A717 HydrophobicContact CZ-CB 3.84Å; V713-A717 PolarHBondContact O-N 3.47Å; V713-A717 VanDerWaalsContact O-N 3.13Å; Q714-A717 WeakPolarHBondContact O-CB 3.33Å; Q714-A717 PolarHBondContact O-N 3.16Å; A717-A721 WeakPolarHBondContact O-CB 3.44Å; A717-A721 PolarHBondContact O-N 2.99Å
718	A	90.2	Very high	90	Very high	9 Å²	9	14.6 Å²	14.6	7%	0.074	8%	0.076	C	C	.	.	H	α-helix	trans	-66.4	-43.4	179.3	0	0	0	0	0	112.7	I628 F691 Q714 G715 M716 A721 T722	I628-A718 HydrophobicContact CG1-CB 4.29Å; F691-A718 HydrophobicContact CZ-CB 4.02Å; Q714-A718 WeakPolarHBondContact O-CB 3.39Å; Q714-A718 PolarHBondContact O-N 3.19Å; G715-A718 PolarHBondContact O-N 3.27Å; M716-A718 PolarHBondContact O-N 3.07Å; A718-A721 PolarHBondContact O-N 3.48Å; A718-T722 VanDerWaalsContact O-CB 3.27Å; A718-T722 WeakPolarHBondContact O-CB 3.41Å; A718-T722 PolarHBondContact O-N 3.02Å; A718-T722 PolarHBondContact O-OG1 3.18Å
719	G	89.6	Confident	89.6	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-59.9	-46.7	175.1	0	0	0	0	0	112	G715 M716 T722 T723	G715-G719 PolarHBondContact O-N 3.33Å; M716-G719 PolarHBondContact O-N 2.86Å; G719-T722 PolarHBondContact O-N 3.42Å; G719-T723 PolarHBondContact O-N 3.2Å
720	I	91.7	Very high	89	Confident	9 Å²	9	8.3 Å²	8.3	5%	0.046	4%	0.044	C	C	.	.	H	α-helix	trans	-60.5	-48.6	176.9	-69.9	169.2	0	0	0	111.9	F667 L683 L690 M716 T724	F667-I720 HydrophobicContact CB-CG1 4.45Å; F667-I720 HydrophobicContact CD1-CD1 4.44Å; L683-I720 HydrophobicContact CD1-CD1 4.42Å; L683-I720 HydrophobicContact CD1-CG2 3.5Å; L683-I720 HydrophobicContact CD2-CG2 4.17Å; L683-I720 HydrophobicContact CG-CG2 3.51Å; L690-I720 HydrophobicContact CD1-CD1 3.94Å; M716-I720 WeakPolarHBondContact O-CG1 3.48Å; M716-I720 PolarHBondContact O-N 3Å; M716-I720 VanDerWaalsContact O-N 3.14Å; I720-T724 WeakPolarHBondContact O-CB 3.3Å; I720-T724 PolarHBondContact O-N 3.44Å; I720-T724 PolarHBondContact O-OG1 3.38Å
721	A	89.6	Confident	88.3	Confident	1 Å²	1	9.4 Å²	9.4	1%	0.008	5%	0.049	C	C	.	.	H	α-helix	trans	-67.2	-38.7	-178.4	0	0	0	0	0	112.6	I628 A717 A718 T723 T724 V725	I628-A721 HydrophobicContact CD1-CB 3.89Å; A717-A721 WeakPolarHBondContact O-CB 3.44Å; A717-A721 PolarHBondContact O-N 2.99Å; A718-A721 PolarHBondContact O-N 3.48Å; A721-T723 VanDerWaalsContact C-N 3.34Å; A721-T723 PolarHBondContact O-N 3.15Å; A721-T724 PolarHBondContact O-N 3.35Å; A721-V725 HydrophobicContact CB-CG2 4.34Å; A721-V725 WeakPolarHBondContact O-CB 3.23Å; A721-V725 WeakPolarHBondContact O-CG2 3.37Å; A721-V725 PolarHBondContact O-N 3.44Å
722	T	86.9	Confident	87.5	Confident	16 Å²	16	10.6 Å²	10.6	10%	0.098	6%	0.055	C	C	.	.	H	α-helix	trans	-62.4	-38	-179	-58.6	0	0	0	0	112.3	A718 G719 P726 W1086 T1106	A718-T722 VanDerWaalsContact O-CB 3.27Å; A718-T722 WeakPolarHBondContact O-CB 3.41Å; A718-T722 PolarHBondContact O-N 3.02Å; A718-T722 PolarHBondContact O-OG1 3.18Å; G719-T722 PolarHBondContact O-N 3.42Å; T722-P726 WeakPolarHBondContact O-CD 3.41Å; T722-P726 VanDerWaalsContact O-CG 3.27Å; T722-P726 WeakPolarHBondContact O-CG 3.31Å; T722-W1086 HydrophobicContact CG2-CE3 4.38Å; T722-W1086 HydrophobicContact CG2-CH2 3.42Å; T722-W1086 VanDerWaalsContact CG2-CH2 3.42Å; T722-W1086 HydrophobicContact CG2-CZ2 4.14Å; T722-W1086 HydrophobicContact CG2-CZ3 3.55Å; T722-T1106 HydrophobicContact CG2-CG2 3.85Å
723	T	86.6	Confident	86.5	Confident	1 Å²	1	7.7 Å²	7.7	1%	0.006	4%	0.044	C	C	.	.	H	α-helix	trans	-79.9	-40.9	174.7	-54.9	0	0	0	0	112.1	G668 A671 G719 A721 A727 A1102	G668-T723 PolarHBondContact O-OG1 3.06Å; A671-T723 HydrophobicContact CB-CG2 3.95Å; G719-T723 PolarHBondContact O-N 3.2Å; A721-T723 VanDerWaalsContact C-N 3.34Å; A721-T723 PolarHBondContact O-N 3.15Å; T723-A727 WeakPolarHBondContact O-CB 3.5Å; T723-A1102 HydrophobicContact CG2-CB 4.5Å
724	T	87.8	Confident	85.2	Confident	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-78.8	-41.5	-169.6	-56.3	0	0	0	0	114	N675 R680 L683 I684 I720 A721 A727 Y728	N675-T724 PolarHBondContact ND2-OG1 3.08Å; N675-T724 VanDerWaalsContact OD1-CG2 3.28Å; N675-T724 WeakPolarHBondContact OD1-CG2 3.32Å; N675-T724 PolarHBondContact OD1-OG1 3.16Å; R680-T724 HydrophobicContact CB-CG2 4.47Å; L683-T724 HydrophobicContact CD2-CG2 4.43Å; L683-T724 WeakPolarHBondContact CD2-OG1 3.5Å; I684-T724 HydrophobicContact CD1-CG2 4.23Å; I684-T724 HydrophobicContact CG1-CG2 3.75Å; I720-T724 WeakPolarHBondContact O-CB 3.3Å; I720-T724 PolarHBondContact O-N 3.44Å; I720-T724 PolarHBondContact O-OG1 3.38Å; A721-T724 PolarHBondContact O-N 3.35Å; T724-A727 PolarHBondContact O-N 3.39Å; T724-Y728 WeakPolarHBondContact O-CB 3.35Å; T724-Y728 PolarHBondContact O-N 2.97Å
725	V	88.5	Confident	84.1	Confident	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-70.1	-43.8	-171.6	177	0	0	0	0	112.3	T621 M624 A721 T729 F745	T621-V725 HydrophobicContact CG2-CG1 4.17Å; M624-V725 HydrophobicContact CB-CG1 4.49Å; M624-V725 HydrophobicContact CB-CG2 3.69Å; M624-V725 HydrophobicContact CG-CG2 3.84Å; A721-V725 HydrophobicContact CB-CG2 4.34Å; A721-V725 WeakPolarHBondContact O-CB 3.23Å; A721-V725 WeakPolarHBondContact O-CG2 3.37Å; A721-V725 PolarHBondContact O-N 3.44Å; V725-T729 VanDerWaalsContact O-CB 3.26Å; V725-T729 WeakPolarHBondContact O-CB 3.35Å; V725-T729 PolarHBondContact O-N 3.17Å; V725-T729 PolarHBondContact O-OG1 2.93Å; V725-F745 HydrophobicContact CB-CD2 4.06Å; V725-F745 HydrophobicContact CB-CE2 3.85Å; V725-F745 HydrophobicContact CB-CZ 4.19Å; V725-F745 HydrophobicContact CG1-CB 4.48Å; V725-F745 HydrophobicContact CG1-CD2 3.53Å; V725-F745 HydrophobicContact CG1-CE2 3.82Å; V725-F745 HydrophobicContact CG1-CG 4.05Å; V725-F745 HydrophobicContact CG2-CE2 4.27Å
726	P	83.2	Confident	83.1	Confident	8 Å²	8	19 Å²	19	5%	0.052	11%	0.105	C	C	.	.	H	α-helix	trans	-61.8	-41.5	172.1	-24.5	36.7	0	0	0	112.5	T722 T729 A730 I742 F745	T722-P726 WeakPolarHBondContact O-CD 3.41Å; T722-P726 VanDerWaalsContact O-CG 3.27Å; T722-P726 WeakPolarHBondContact O-CG 3.31Å; P726-T729 PolarHBondContact O-N 3.4Å; P726-A730 WeakPolarHBondContact O-CB 3.41Å; P726-A730 PolarHBondContact O-N 2.86Å; P726-I742 HydrophobicContact CB-CG2 4.22Å; P726-F745 HydrophobicContact CG-CD1 3.75Å; P726-F745 HydrophobicContact CG-CE1 3.81Å
727	A	82	Confident	82	Confident	3 Å²	3	20.8 Å²	20.8	3%	0.025	12%	0.115	C	C	.	.	H	α-helix	trans	-62.9	-51.3	179.1	0	0	0	0	0	112.1	T723 T724 T729 A730 E731	T723-A727 WeakPolarHBondContact O-CB 3.5Å; T724-A727 PolarHBondContact O-N 3.39Å; A727-T729 VanDerWaalsContact C-N 3.31Å; A727-T729 PolarHBondContact O-N 2.87Å; A727-A730 WeakPolarHBondContact O-CB 3.33Å; A727-A730 PolarHBondContact O-N 3Å; A727-A730 VanDerWaalsContact O-N 3.17Å; A727-E731 WeakPolarHBondContact O-CG 3.17Å; A727-E731 PolarHBondContact O-N 3.16Å; A727-E731 VanDerWaalsContact O-N 3.09Å
728	Y	85.2	Confident	81.2	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.2	-37.7	176.5	178.9	-98.9	0	0	0	112.3	T621 R680 I684 T724 E731 L732 I794 P795	T621-Y728 HydrophobicContact CG2-CD1 3.44Å; T621-Y728 VanDerWaalsContact CG2-CD1 3.44Å; T621-Y728 HydrophobicContact CG2-CE1 3.76Å; T621-Y728 WeakPolarHBondContact OG1-CE1 3.48Å; R680-Y728 HydrophobicContact CB-CD2 3.41Å; R680-Y728 VanDerWaalsContact CB-CD2 3.41Å; R680-Y728 HydrophobicContact CB-CE2 4.17Å; R680-Y728 HydrophobicContact CB-CG 4.09Å; R680-Y728 HydrophobicContact CG-CD2 3.91Å; R680-Y728 HydrophobicContact CG-CG 4.46Å; I684-Y728 HydrophobicContact CD1-CD1 4.26Å; I684-Y728 HydrophobicContact CD1-CG 4.3Å; T724-Y728 WeakPolarHBondContact O-CB 3.35Å; T724-Y728 PolarHBondContact O-N 2.97Å; Y728-E731 PolarHBondContact O-N 2.89Å; Y728-L732 HydrophobicContact CD1-CD1 3.98Å; Y728-L732 HydrophobicContact CD1-CG 4.44Å; Y728-L732 HydrophobicContact CE1-CD1 3.29Å; Y728-L732 HydrophobicContact CE1-CG 4.04Å; Y728-L732 HydrophobicContact CE2-CD1 4.45Å; Y728-L732 HydrophobicContact CE2-CG 4.48Å; Y728-L732 PolarHBondContact O-N 3.01Å; Y728-L732 VanDerWaalsContact O-N 3.1Å; Y728-I794 HydrophobicContact CE1-CG2 4.42Å; Y728-I794 WeakPolarHBondContact OH-CG2 3.27Å; Y728-P795 PolarHBondContact OH-O 2.68Å
729	T	83.5	Confident	80.4	Confident	1 Å²	1	21.6 Å²	21.6	1%	0.006	12%	0.116	C	C	.	.	H	α-helix	trans	-65.7	-38.6	175.4	-56.7	0	0	0	0	111.5	T618 V725 P726 A727 E731 L732 A733 L741 I742	T618-T729 HydrophobicContact CG2-CG2 3.96Å; V725-T729 VanDerWaalsContact O-CB 3.26Å; V725-T729 WeakPolarHBondContact O-CB 3.35Å; V725-T729 PolarHBondContact O-N 3.17Å; V725-T729 PolarHBondContact O-OG1 2.93Å; P726-T729 PolarHBondContact O-N 3.4Å; A727-T729 VanDerWaalsContact C-N 3.31Å; A727-T729 PolarHBondContact O-N 2.87Å; T729-E731 VanDerWaalsContact C-N 3.32Å; T729-E731 PolarHBondContact O-N 3.2Å; T729-L732 PolarHBondContact O-N 2.7Å; T729-A733 WeakPolarHBondContact O-CB 3.4Å; T729-A733 PolarHBondContact O-N 3.28Å; T729-L741 HydrophobicContact CG2-CB 3.89Å; T729-I742 HydrophobicContact CG2-CG1 3.98Å
730	A	79.8	Confident	79.6	Confident	1 Å²	1	22.3 Å²	22.3	1%	0.008	12%	0.122	C	C	.	.	H	α-helix	trans	-66	-30.8	175.4	0	0	0	0	0	113.6	P726 A727 I742 A1090	P726-A730 WeakPolarHBondContact O-CB 3.41Å; P726-A730 PolarHBondContact O-N 2.86Å; A727-A730 WeakPolarHBondContact O-CB 3.33Å; A727-A730 PolarHBondContact O-N 3Å; A727-A730 VanDerWaalsContact O-N 3.17Å; A730-I742 HydrophobicContact CB-CD1 3.75Å; A730-I742 HydrophobicContact CB-CG1 4.42Å; A730-A1090 HydrophobicContact CB-CB 4.47Å
731	E	76.9	Confident	78.9	Confident	22 Å²	22	23.1 Å²	23.1	10%	0.103	13%	0.126	C	C	.	.	H	α-helix	trans	-75.4	-31.7	175.7	-68.8	170.2	-159	0	0	113	R680 A727 Y728 T729 S797 E799 R1098	R680-E731 IonicContact CZ-OE1 2.75Å; R680-E731 VanDerWaalsContact CZ-OE1 3.27Å; R680-E731 IonicContact CZ-OE2 2.91Å; R680-E731 IonicContact NE-OE1 2.65Å; R680-E731 PolarHBondContact NE-OE1 3.24Å; R680-E731 IonicContact NE-OE2 2.79Å; R680-E731 PolarHBondContact NE-OE2 3.48Å; R680-E731 IonicContact NH2-OE1 3.87Å; R680-E731 PolarHBondContact NH2-OE1 3.32Å; R680-E731 IonicContact NH2-OE2 3.93Å; A727-E731 WeakPolarHBondContact O-CG 3.17Å; A727-E731 PolarHBondContact O-N 3.16Å; A727-E731 VanDerWaalsContact O-N 3.09Å; Y728-E731 PolarHBondContact O-N 2.89Å; T729-E731 VanDerWaalsContact C-N 3.32Å; T729-E731 PolarHBondContact O-N 3.2Å; E731-S797 WeakPolarHBondContact OE2-CB 3.5Å; E731-S797 PolarHBondContact OE2-OG 3.08Å; E731-E799 HydrophobicContact CG-CG 4.5Å; E731-R1098 IonicContact OE1-NH1 2.78Å
732	L	75.5	Confident	78.5	Confident	29 Å²	29	23.1 Å²	23.1	15%	0.152	13%	0.126	C	C	.	.	H	α-helix	trans	-84.8	-31	175.4	-70.7	-174.4	0	0	0	113.6	I617 Y728 T729	I617-L732 HydrophobicContact CG2-CD1 3.56Å; Y728-L732 HydrophobicContact CD1-CD1 3.98Å; Y728-L732 HydrophobicContact CD1-CG 4.44Å; Y728-L732 HydrophobicContact CE1-CD1 3.29Å; Y728-L732 HydrophobicContact CE1-CG 4.04Å; Y728-L732 HydrophobicContact CE2-CD1 4.45Å; Y728-L732 HydrophobicContact CE2-CG 4.48Å; Y728-L732 PolarHBondContact O-N 3.01Å; Y728-L732 VanDerWaalsContact O-N 3.1Å; T729-L732 PolarHBondContact O-N 2.7Å
733	A	72.4	Confident	78.2	Confident	9 Å²	9	22.4 Å²	22.4	7%	0.074	12%	0.121	C	C	.	.	S	Bend	trans	-74.6	134.9	-169.6	0	0	0	0	0	112.5	T729 R738 L741	T729-A733 WeakPolarHBondContact O-CB 3.4Å; T729-A733 PolarHBondContact O-N 3.28Å; A733-R738 HydrophobicContact CB-CB 4.36Å; A733-R738 HydrophobicContact CB-CG 4.45Å; A733-L741 HydrophobicContact CB-CB 3.97Å; A733-L741 HydrophobicContact CB-CD2 3.73Å; A733-L741 HydrophobicContact CB-CG 4.36Å
734	P	67.9	Low	77.9	Confident	51 Å²	51	24.9 Å²	24.9	33%	0.331	13%	0.134	S	C	.	.			trans	-68	145	171.3	31.7	-34.6	0	0	0	109.8	H736 L737 R738	P734-H736 PolarHBondContact O-N 2.93Å; P734-L737 HydrophobicContact CG-CB 4.22Å; P734-L737 HydrophobicContact CG-CD1 4.22Å; P734-L737 HydrophobicContact CG-CG 4.49Å; P734-L737 PolarHBondContact O-N 3.4Å; P734-R738 PolarHBondContact O-N 2.87Å; P734-R738 VanDerWaalsContact O-N 3.15Å
735	V	69.7	Low	77.7	Confident	66 Å²	66	25 Å²	25	40%	0.4	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-48.3	-40	-172.2	-174.7	0	0	0	0	113.2	L737	V735-L737 VanDerWaalsContact C-N 3.32Å; V735-L737 PolarHBondContact O-N 3.33Å
736	H	70.4	Confident	77.4	Confident	136 Å²	136	25.5 Å²	25.5	63%	0.63	14%	0.138	S	C	*	.	G	3₁₀ helix	trans	-77.6	-4.2	-177.4	64.9	-88.3	0	0	0	115.8	P734	P734-H736 PolarHBondContact O-N 2.93Å
737	L	72.4	Confident	77.3	Confident	75 Å²	75	26.5 Å²	26.5	39%	0.393	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-130.2	9.6	174	-61.6	170.4	0	0	0	112.5	P734 V735 G739 A740 L741	P734-L737 HydrophobicContact CG-CB 4.22Å; P734-L737 HydrophobicContact CG-CD1 4.22Å; P734-L737 HydrophobicContact CG-CG 4.49Å; P734-L737 PolarHBondContact O-N 3.4Å; V735-L737 VanDerWaalsContact C-N 3.32Å; V735-L737 PolarHBondContact O-N 3.33Å; L737-G739 PolarHBondContact O-N 3.39Å; L737-A740 PolarHBondContact O-N 3.3Å; L737-L741 HydrophobicContact CB-CD1 3.49Å; L737-L741 VanDerWaalsContact CB-CD1 3.49Å; L737-L741 HydrophobicContact CD1-CD1 4.32Å; L737-L741 HydrophobicContact CG-CD1 4.48Å; L737-L741 VanDerWaalsContact O-CD1 3.26Å; L737-L741 WeakPolarHBondContact O-CD1 3.33Å; L737-L741 PolarHBondContact O-N 3.35Å
738	R	75.2	Confident	77.5	Confident	26 Å²	26	27.5 Å²	27.5	10%	0.098	15%	0.149	C	C	.	.	H	α-helix	trans	-56.5	-52.3	-170.2	-178.3	-179.9	-73.5	148.2	-9.3	112.4	A733 P734 A740 L741 I742 E1091 M1159	A733-R738 HydrophobicContact CB-CB 4.36Å; A733-R738 HydrophobicContact CB-CG 4.45Å; P734-R738 PolarHBondContact O-N 2.87Å; P734-R738 VanDerWaalsContact O-N 3.15Å; R738-A740 PolarHBondContact O-N 3.37Å; R738-L741 PolarHBondContact O-N 3.04Å; R738-I742 HydrophobicContact CG-CD1 3.65Å; R738-I742 WeakPolarHBondContact O-CD1 3.27Å; R738-I742 WeakPolarHBondContact O-CG1 3.09Å; R738-I742 PolarHBondContact O-N 3.21Å; R738-E1091 HydrophobicContact CG-CG 4.45Å; R738-M1159 VanDerWaalsContact CZ-CE 3.44Å; R738-M1159 VanDerWaalsContact CZ-SD 3.59Å; R738-M1159 PolarHBondContact NH1-SD 3.15Å
739	G	73.5	Confident	77.5	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.5	-47.4	177.9	0	0	0	0	0	111.8	L737 L741 I742 T743 E912 E1091	L737-G739 PolarHBondContact O-N 3.39Å; G739-L741 PolarHBondContact O-N 3.47Å; G739-I742 PolarHBondContact O-N 3.22Å; G739-T743 WeakPolarHBondContact O-CG2 3.35Å; G739-T743 PolarHBondContact O-N 2.93Å; G739-T743 PolarHBondContact O-OG1 2.66Å; G739-T743 VanDerWaalsContact O-OG1 3.1Å; G739-E912 WeakPolarHBondContact CA-OE1 3.14Å; G739-E912 PolarHBondContact N-OE1 3.26Å; G739-E1091 WeakPolarHBondContact CA-OE1 3.34Å; G739-E1091 PolarHBondContact N-OE1 3.17Å
740	A	72.8	Confident	77.6	Confident	15 Å²	15	29.3 Å²	29.3	12%	0.124	16%	0.159	C	C	.	.	H	α-helix	trans	-57	-46.3	177.3	0	0	0	0	0	113.4	L737 R738 T743 L744 E912	L737-A740 PolarHBondContact O-N 3.3Å; R738-A740 PolarHBondContact O-N 3.37Å; A740-T743 WeakPolarHBondContact CA-OG1 3.4Å; A740-T743 PolarHBondContact O-N 2.76Å; A740-T743 PolarHBondContact O-OG1 3.39Å; A740-L744 PolarHBondContact O-N 2.98Å; A740-E912 HydrophobicContact CB-CG 4Å; A740-E912 PolarHBondContact N-OE1 3.36Å
741	L	76.5	Confident	78	Confident	25 Å²	25	32.8 Å²	32.8	13%	0.131	18%	0.177	C	C	.	.	H	α-helix	trans	-65.9	-40.6	178.4	-90.7	75.1	0	0	0	111.6	T618 T729 A733 L737 R738 G739 L744	T618-L741 HydrophobicContact CG2-CB 4.24Å; T618-L741 HydrophobicContact CG2-CD2 3.85Å; T618-L741 HydrophobicContact CG2-CG 4.01Å; T618-L741 WeakPolarHBondContact OG1-CD2 3.48Å; T729-L741 HydrophobicContact CG2-CB 3.89Å; A733-L741 HydrophobicContact CB-CB 3.97Å; A733-L741 HydrophobicContact CB-CD2 3.73Å; A733-L741 HydrophobicContact CB-CG 4.36Å; L737-L741 HydrophobicContact CB-CD1 3.49Å; L737-L741 VanDerWaalsContact CB-CD1 3.49Å; L737-L741 HydrophobicContact CD1-CD1 4.32Å; L737-L741 HydrophobicContact CG-CD1 4.48Å; L737-L741 VanDerWaalsContact O-CD1 3.26Å; L737-L741 WeakPolarHBondContact O-CD1 3.33Å; L737-L741 PolarHBondContact O-N 3.35Å; R738-L741 PolarHBondContact O-N 3.04Å; G739-L741 PolarHBondContact O-N 3.47Å; L741-L744 WeakPolarHBondContact O-CB 3.11Å; L741-L744 PolarHBondContact O-N 2.98Å
742	I	81.6	Confident	78.5	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-66.5	-39.4	178.7	-65	163.9	0	0	0	111	P726 T729 A730 R738 G739 L744 F745 A1087 A1090	P726-I742 HydrophobicContact CB-CG2 4.22Å; T729-I742 HydrophobicContact CG2-CG1 3.98Å; A730-I742 HydrophobicContact CB-CD1 3.75Å; A730-I742 HydrophobicContact CB-CG1 4.42Å; R738-I742 HydrophobicContact CG-CD1 3.65Å; R738-I742 WeakPolarHBondContact O-CD1 3.27Å; R738-I742 WeakPolarHBondContact O-CG1 3.09Å; R738-I742 PolarHBondContact O-N 3.21Å; G739-I742 PolarHBondContact O-N 3.22Å; I742-L744 PolarHBondContact O-N 3.05Å; I742-L744 VanDerWaalsContact O-N 3.17Å; I742-F745 WeakPolarHBondContact O-CB 3.21Å; I742-F745 PolarHBondContact O-N 3.33Å; I742-F745 VanDerWaalsContact O-N 3.12Å; I742-A1087 HydrophobicContact CG2-CB 4.33Å; I742-A1090 HydrophobicContact CD1-CB 3.85Å
743	T	80.6	Confident	79.1	Confident	1 Å²	1	32 Å²	32	1%	0.006	17%	0.173	C	C	.	.	H	α-helix	trans	-67.4	-11.7	177.5	51.2	0	0	0	0	114.5	G739 A740 F745 P746 L747 T908 I911 A1087	G739-T743 WeakPolarHBondContact O-CG2 3.35Å; G739-T743 PolarHBondContact O-N 2.93Å; G739-T743 PolarHBondContact O-OG1 2.66Å; G739-T743 VanDerWaalsContact O-OG1 3.1Å; A740-T743 WeakPolarHBondContact CA-OG1 3.4Å; A740-T743 PolarHBondContact O-N 2.76Å; A740-T743 PolarHBondContact O-OG1 3.39Å; T743-F745 PolarHBondContact O-N 2.79Å; T743-P746 VanDerWaalsContact O-CD 3.32Å; T743-P746 WeakPolarHBondContact O-CD 3.37Å; T743-P746 WeakPolarHBondContact O-CG 3.38Å; T743-L747 PolarHBondContact O-N 2.79Å; T743-T908 PolarHBondContact O-OG1 2.89Å; T743-T908 WeakPolarHBondContact OG1-CA 3.41Å; T743-T908 PolarHBondContact OG1-OG1 3.46Å; T743-I911 HydrophobicContact CG2-CD1 3.62Å; T743-I911 HydrophobicContact CG2-CG2 4.41Å; T743-A1087 HydrophobicContact CG2-CB 4.13Å
744	L	79.9	Confident	79.9	Confident	54 Å²	54	32.8 Å²	32.8	28%	0.283	18%	0.175	S	C	.	.	H	α-helix	trans	-66	-25.8	171.1	-59.1	170.2	0	0	0	112	T618 V622 A740 L741 I742 L747 C748 T908	T618-L744 HydrophobicContact CG2-CD1 4.43Å; V622-L744 HydrophobicContact CB-CB 4.43Å; V622-L744 VanDerWaalsContact CG1-C 3.45Å; V622-L744 HydrophobicContact CG1-CB 3.62Å; V622-L744 VanDerWaalsContact CG1-O 3.26Å; V622-L744 WeakPolarHBondContact CG1-O 3.3Å; V622-L744 HydrophobicContact CG2-CB 4.05Å; A740-L744 PolarHBondContact O-N 2.98Å; L741-L744 WeakPolarHBondContact O-CB 3.11Å; L741-L744 PolarHBondContact O-N 2.98Å; I742-L744 PolarHBondContact O-N 3.05Å; I742-L744 VanDerWaalsContact O-N 3.17Å; L744-L747 HydrophobicContact CD2-CD2 4.18Å; L744-L747 WeakPolarHBondContact O-CB 3.28Å; L744-L747 PolarHBondContact O-N 3.5Å; L744-C748 PolarHBondContact O-N 3.25Å; L744-T908 HydrophobicContact CD2-CG2 3.77Å; L744-T908 HydrophobicContact CG-CG2 4.45Å
745	F	84	Confident	81	Confident	1 Å²	1	31.8 Å²	31.8	0%	0.004	17%	0.172	C	C	.	.	H	α-helix	trans	-62.5	-55.4	177.7	176.1	-122.3	0	0	0	113.4	M624 I628 V725 P726 I742 T743 L747 C748 M749	M624-F745 HydrophobicContact CB-CE2 4.23Å; I628-F745 HydrophobicContact CD1-CE2 3.87Å; I628-F745 HydrophobicContact CD1-CZ 3.59Å; V725-F745 HydrophobicContact CB-CD2 4.06Å; V725-F745 HydrophobicContact CB-CE2 3.85Å; V725-F745 HydrophobicContact CB-CZ 4.19Å; V725-F745 HydrophobicContact CG1-CB 4.48Å; V725-F745 HydrophobicContact CG1-CD2 3.53Å; V725-F745 HydrophobicContact CG1-CE2 3.82Å; V725-F745 HydrophobicContact CG1-CG 4.05Å; V725-F745 HydrophobicContact CG2-CE2 4.27Å; P726-F745 HydrophobicContact CG-CD1 3.75Å; P726-F745 HydrophobicContact CG-CE1 3.81Å; I742-F745 WeakPolarHBondContact O-CB 3.21Å; I742-F745 PolarHBondContact O-N 3.33Å; I742-F745 VanDerWaalsContact O-N 3.12Å; T743-F745 PolarHBondContact O-N 2.79Å; F745-L747 VanDerWaalsContact C-N 3.29Å; F745-L747 PolarHBondContact O-N 3.04Å; F745-C748 PolarHBondContact O-N 3.39Å; F745-M749 HydrophobicContact CD1-CE 3.94Å; F745-M749 HydrophobicContact CD2-CE 4.49Å; F745-M749 HydrophobicContact CE1-CE 3.33Å; F745-M749 HydrophobicContact CE2-CE 3.94Å; F745-M749 HydrophobicContact CZ-CE 3.33Å; F745-M749 PolarHBondContact O-N 2.91Å; F745-M749 VanDerWaalsContact O-N 3.16Å
746	P	81.7	Confident	81.9	Confident	12 Å²	12	28.9 Å²	28.9	8%	0.078	15%	0.154	C	C	.	.	H	α-helix	trans	-64.1	-30.3	172.7	22.8	-32	0	0	0	113	T743 C748 M749 S750	T743-P746 VanDerWaalsContact O-CD 3.32Å; T743-P746 WeakPolarHBondContact O-CD 3.37Å; T743-P746 WeakPolarHBondContact O-CG 3.38Å; P746-C748 VanDerWaalsContact C-N 3.34Å; P746-C748 PolarHBondContact O-N 3.32Å; P746-M749 WeakPolarHBondContact O-CA 3.46Å; P746-M749 WeakPolarHBondContact O-CB 3.37Å; P746-M749 PolarHBondContact O-N 3.17Å; P746-M749 VanDerWaalsContact O-N 3.08Å; P746-S750 PolarHBondContact O-N 3.41Å; P746-S750 PolarHBondContact O-OG 3.37Å; P746-S750 VanDerWaalsContact O-OG 3.13Å
747	L	81.8	Confident	82.7	Confident	28 Å²	28	22.6 Å²	22.6	15%	0.147	13%	0.126	C	C	.	.	H	α-helix	trans	-59.2	-43.2	171.1	172.5	55	0	0	0	111.8	T743 L744 F745 M749 S750 I751 L901 A905	T743-L747 PolarHBondContact O-N 2.79Å; L744-L747 HydrophobicContact CD2-CD2 4.18Å; L744-L747 WeakPolarHBondContact O-CB 3.28Å; L744-L747 PolarHBondContact O-N 3.5Å; F745-L747 VanDerWaalsContact C-N 3.29Å; F745-L747 PolarHBondContact O-N 3.04Å; L747-M749 VanDerWaalsContact C-N 3.31Å; L747-M749 PolarHBondContact O-N 3.02Å; L747-S750 WeakPolarHBondContact O-CB 3.38Å; L747-S750 PolarHBondContact O-N 3.37Å; L747-I751 WeakPolarHBondContact O-CG1 3.24Å; L747-I751 PolarHBondContact O-N 3.39Å; L747-L901 HydrophobicContact CD1-CD1 3.68Å; L747-A905 HydrophobicContact CD1-CB 4.2Å
748	C	85.5	Confident	83.5	Confident	24 Å²	24	21.7 Å²	21.7	16%	0.162	12%	0.121	C	C	.	.	H	α-helix	trans	-65.9	-30.2	173.2	-81.3	0	0	0	0	113.3	V622 F626 L744 F745 P746 I751 G752	V622-C748 HydrophobicContact CG1-CB 4.2Å; V622-C748 VanDerWaalsContact CG1-SG 3.59Å; V622-C748 WeakPolarHBondContact O-CB 3.4Å; F626-C748 VanDerWaalsContact CA-O 3.31Å; F626-C748 WeakPolarHBondContact CA-O 3.46Å; F626-C748 PolarHBondContact N-O 3.39Å; L744-C748 PolarHBondContact O-N 3.25Å; F745-C748 PolarHBondContact O-N 3.39Å; P746-C748 VanDerWaalsContact C-N 3.34Å; P746-C748 PolarHBondContact O-N 3.32Å; C748-I751 PolarHBondContact O-N 3.35Å; C748-G752 PolarHBondContact O-N 3.29Å; C748-G752 VanDerWaalsContact O-N 3.15Å
749	M	86.2	Confident	84.1	Confident	29 Å²	29	21 Å²	21	14%	0.143	12%	0.12	C	C	.	.	H	α-helix	trans	-60.8	-45.4	169.6	-61.6	179.8	-179.9	0	0	111.4	G625 I628 G629 F745 P746 L747 I751 G752 Q753	G625-M749 VanDerWaalsContact O-CA 3.23Å; G625-M749 WeakPolarHBondContact O-CA 3.41Å; G625-M749 VanDerWaalsContact O-CG 3.3Å; G625-M749 WeakPolarHBondContact O-CG 3.32Å; I628-M749 HydrophobicContact CB-CE 4.23Å; I628-M749 HydrophobicContact CB-CG 4.4Å; I628-M749 HydrophobicContact CD1-CE 3.78Å; I628-M749 HydrophobicContact CG2-CE 3.91Å; I628-M749 HydrophobicContact CG2-SD 4.21Å; G629-M749 WeakPolarHBondContact CA-O 3.37Å; F745-M749 HydrophobicContact CD1-CE 3.94Å; F745-M749 HydrophobicContact CD2-CE 4.49Å; F745-M749 HydrophobicContact CE1-CE 3.33Å; F745-M749 HydrophobicContact CE2-CE 3.94Å; F745-M749 HydrophobicContact CZ-CE 3.33Å; F745-M749 PolarHBondContact O-N 2.91Å; F745-M749 VanDerWaalsContact O-N 3.16Å; P746-M749 WeakPolarHBondContact O-CA 3.46Å; P746-M749 WeakPolarHBondContact O-CB 3.37Å; P746-M749 PolarHBondContact O-N 3.17Å; P746-M749 VanDerWaalsContact O-N 3.08Å; L747-M749 VanDerWaalsContact C-N 3.31Å; L747-M749 PolarHBondContact O-N 3.02Å; M749-I751 VanDerWaalsContact C-N 3.3Å; M749-I751 PolarHBondContact O-N 3.18Å; M749-G752 CarbonylContact O-C 3.59Å; M749-G752 WeakPolarHBondContact O-CA 3.48Å; M749-G752 PolarHBondContact O-N 3.04Å; M749-Q753 WeakPolarHBondContact O-CG 3.29Å; M749-Q753 PolarHBondContact O-N 2.92Å
750	S	85.3	Confident	84.6	Confident	11 Å²	11	21.1 Å²	21.1	8%	0.077	12%	0.121	C	C	.	.	H	α-helix	trans	-62.9	-34.6	179.7	-49.3	0	0	0	0	113.2	P746 L747 G752 Q753 L754 S900	P746-S750 PolarHBondContact O-N 3.41Å; P746-S750 PolarHBondContact O-OG 3.37Å; P746-S750 VanDerWaalsContact O-OG 3.13Å; L747-S750 WeakPolarHBondContact O-CB 3.38Å; L747-S750 PolarHBondContact O-N 3.37Å; S750-G752 VanDerWaalsContact C-N 3.35Å; S750-Q753 PolarHBondContact O-N 2.96Å; S750-L754 PolarHBondContact O-N 2.79Å; S750-S900 VanDerWaalsContact CB-C 3.48Å; S750-S900 WeakPolarHBondContact CB-O 3.11Å; S750-S900 PolarHBondContact OG-O 3.38Å
751	I	87.7	Confident	85.1	Confident	73 Å²	73	20.4 Å²	20.4	37%	0.374	12%	0.115	S	C	.	.	H	α-helix	trans	-62.3	-43.4	170.7	-60.6	171.4	0	0	0	110.4	F626 L747 C748 M749 L754 A755 L901	F626-I751 HydrophobicContact CD2-CB 4.42Å; F626-I751 HydrophobicContact CD2-CG2 3.95Å; F626-I751 HydrophobicContact CE2-CG2 4.1Å; L747-I751 WeakPolarHBondContact O-CG1 3.24Å; L747-I751 PolarHBondContact O-N 3.39Å; C748-I751 PolarHBondContact O-N 3.35Å; M749-I751 VanDerWaalsContact C-N 3.3Å; M749-I751 PolarHBondContact O-N 3.18Å; I751-L754 PolarHBondContact O-N 3.13Å; I751-A755 WeakPolarHBondContact O-CB 3.15Å; I751-A755 PolarHBondContact O-N 3.12Å; I751-L901 HydrophobicContact CD1-CD1 4.49Å; I751-L901 HydrophobicContact CG1-CD1 3.54Å
752	G	88.3	Confident	85.5	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.1	-41.7	174	0	0	0	0	0	113.2	Y630 C748 M749 S750 A755 S756	Y630-G752 WeakPolarHBondContact CA-O 3.49Å; Y630-G752 WeakPolarHBondContact CD2-O 3.39Å; C748-G752 PolarHBondContact O-N 3.29Å; C748-G752 VanDerWaalsContact O-N 3.15Å; M749-G752 CarbonylContact O-C 3.59Å; M749-G752 WeakPolarHBondContact O-CA 3.48Å; M749-G752 PolarHBondContact O-N 3.04Å; S750-G752 VanDerWaalsContact C-N 3.35Å; G752-A755 PolarHBondContact O-N 2.75Å; G752-S756 PolarHBondContact O-N 2.95Å
753	Q	88	Confident	85.6	Confident	35 Å²	35	23.1 Å²	23.1	16%	0.164	13%	0.134	C	C	.	.	H	α-helix	trans	-62.1	-48.7	177.5	-68.8	174.5	-27.9	0	0	111.7	T633 M749 S750 A755 S756 G757 S900	T633-Q753 HydrophobicContact CG2-CB 4.27Å; T633-Q753 HydrophobicContact CG2-CG 3.81Å; T633-Q753 WeakPolarHBondContact OG1-CA 2.89Å; M749-Q753 WeakPolarHBondContact O-CG 3.29Å; M749-Q753 PolarHBondContact O-N 2.92Å; S750-Q753 PolarHBondContact O-N 2.96Å; Q753-A755 PolarHBondContact O-N 3.18Å; Q753-S756 PolarHBondContact O-N 3.28Å; Q753-S756 VanDerWaalsContact O-N 3.16Å; Q753-S756 PolarHBondContact O-OG 3.22Å; Q753-G757 PolarHBondContact O-N 3.18Å; Q753-S900 VanDerWaalsContact OE1-CB 3.28Å
754	L	88.9	Confident	85.5	Confident	26 Å²	26	24.6 Å²	24.6	14%	0.136	15%	0.145	C	C	.	.	H	α-helix	trans	-58.9	-46.4	175.4	177.9	58	0	0	0	111.8	S750 I751 S756 G757 I758 I898 L901	S750-L754 PolarHBondContact O-N 2.79Å; I751-L754 PolarHBondContact O-N 3.13Å; L754-S756 PolarHBondContact O-N 3.36Å; L754-G757 PolarHBondContact O-N 3.13Å; L754-I758 HydrophobicContact CD1-CD1 3.86Å; L754-I758 HydrophobicContact CD1-CG1 4.18Å; L754-I758 HydrophobicContact CG-CD1 3.87Å; L754-I758 WeakPolarHBondContact O-CG1 3.38Å; L754-I758 PolarHBondContact O-N 2.82Å; L754-I898 HydrophobicContact CD1-CD1 4.46Å; L754-I898 HydrophobicContact CD1-CG1 3.47Å; L754-I898 VanDerWaalsContact CD1-CG1 3.47Å; L754-L901 HydrophobicContact CD2-CD2 3.52Å
755	A	90.2	Very high	85.4	Confident	30 Å²	30	27.2 Å²	27.2	25%	0.248	15%	0.152	C	C	.	.	H	α-helix	trans	-59.4	-33.7	177.6	0	0	0	0	0	112.5	F626 Y630 I751 G752 Q753 S759	F626-A755 HydrophobicContact CE2-CB 3.76Å; F626-A755 HydrophobicContact CZ-CB 3.65Å; Y630-A755 HydrophobicContact CD2-CB 4.01Å; Y630-A755 HydrophobicContact CE2-CB 4.27Å; I751-A755 WeakPolarHBondContact O-CB 3.15Å; I751-A755 PolarHBondContact O-N 3.12Å; G752-A755 PolarHBondContact O-N 2.75Å; Q753-A755 PolarHBondContact O-N 3.18Å; A755-S759 WeakPolarHBondContact O-CB 3.48Å; A755-S759 PolarHBondContact O-N 2.69Å; A755-S759 PolarHBondContact O-OG 2.83Å
756	S	89.4	Confident	85.2	Confident	4 Å²	4	30.7 Å²	30.7	3%	0.028	17%	0.17	C	C	.	.	H	α-helix	trans	-71.1	-36.6	176.5	78.5	0	0	0	0	114	T633 I634 G752 Q753 L754 S759 A760	T633-S756 WeakPolarHBondContact CB-OG 3.41Å; T633-S756 PolarHBondContact OG1-OG 2.97Å; I634-S756 WeakPolarHBondContact CD1-O 3.49Å; G752-S756 PolarHBondContact O-N 2.95Å; Q753-S756 PolarHBondContact O-N 3.28Å; Q753-S756 VanDerWaalsContact O-N 3.16Å; Q753-S756 PolarHBondContact O-OG 3.22Å; L754-S756 PolarHBondContact O-N 3.36Å; S756-S759 WeakPolarHBondContact CA-OG 2.88Å; S756-S759 PolarHBondContact O-OG 3.27Å; S756-A760 VanDerWaalsContact O-CB 3.25Å; S756-A760 WeakPolarHBondContact O-CB 3.01Å; S756-A760 PolarHBondContact O-N 3.27Å
757	G	86.4	Confident	84.3	Confident	4 Å²	4	39.1 Å²	39.1	4%	0.041	21%	0.209	C	C	.	.	H	α-helix	trans	-69.4	-41.6	176.4	0	0	0	0	0	111.3	Q753 L754 A761	Q753-G757 PolarHBondContact O-N 3.18Å; L754-G757 PolarHBondContact O-N 3.13Å; G757-A761 WeakPolarHBondContact O-CB 3.32Å; G757-A761 PolarHBondContact O-N 3.4Å
758	I	89.3	Confident	83.9	Confident	57 Å²	57	42.8 Å²	42.8	29%	0.292	23%	0.228	S	C	.	.	H	α-helix	trans	-65.5	-43.5	175.2	-64.3	171	0	0	0	110.9	F379 L754 S762	F379-I758 HydrophobicContact CE1-CD1 4.49Å; L754-I758 HydrophobicContact CD1-CD1 3.86Å; L754-I758 HydrophobicContact CD1-CG1 4.18Å; L754-I758 HydrophobicContact CG-CD1 3.87Å; L754-I758 WeakPolarHBondContact O-CG1 3.38Å; L754-I758 PolarHBondContact O-N 2.82Å; I758-S762 WeakPolarHBondContact O-CB 3.06Å; I758-S762 PolarHBondContact O-N 3.06Å; I758-S762 PolarHBondContact O-OG 3.23Å
759	S	87.7	Confident	83.1	Confident	11 Å²	11	42.9 Å²	42.9	8%	0.077	23%	0.233	C	C	.	.	H	α-helix	trans	-68.8	-37.9	178.9	67.6	0	0	0	0	112.3	Y630 I634 A755 S756 L763	Y630-S759 PolarHBondContact OH-OG 3.3Å; I634-S759 VanDerWaalsContact CD1-OG 3.31Å; I634-S759 WeakPolarHBondContact CD1-OG 3Å; A755-S759 WeakPolarHBondContact O-CB 3.48Å; A755-S759 PolarHBondContact O-N 2.69Å; A755-S759 PolarHBondContact O-OG 2.83Å; S756-S759 WeakPolarHBondContact CA-OG 2.88Å; S756-S759 PolarHBondContact O-OG 3.27Å; S759-L763 VanDerWaalsContact O-CB 3.24Å; S759-L763 WeakPolarHBondContact O-CB 3.26Å; S759-L763 VanDerWaalsContact O-CG 3.26Å; S759-L763 WeakPolarHBondContact O-CG 3.16Å; S759-L763 PolarHBondContact O-N 3.21Å
760	A	84.9	Confident	82.6	Confident	2 Å²	2	46.3 Å²	46.3	2%	0.017	25%	0.252	C	S	.	.	H	α-helix	trans	-60.7	-50.5	173	0	0	0	0	0	112.2	I634 S756 S764 M776	I634-A760 HydrophobicContact CD1-CB 4.33Å; S756-A760 VanDerWaalsContact O-CB 3.25Å; S756-A760 WeakPolarHBondContact O-CB 3.01Å; S756-A760 PolarHBondContact O-N 3.27Å; A760-S764 WeakPolarHBondContact O-CB 3.44Å; A760-S764 PolarHBondContact O-N 3.22Å; A760-S764 VanDerWaalsContact O-N 3.12Å; A760-M776 HydrophobicContact CB-SD 4.38Å; A760-M776 WeakPolarHBondContact O-CE 2.97Å
761	A	83.7	Confident	82.5	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-67.7	-36.8	179	0	0	0	0	0	112.8	G757 S764 Y765 M890 W891	G757-A761 WeakPolarHBondContact O-CB 3.32Å; G757-A761 PolarHBondContact O-N 3.4Å; A761-S764 PolarHBondContact O-OG 3.46Å; A761-Y765 VanDerWaalsContact O-CD2 3.27Å; A761-Y765 WeakPolarHBondContact O-CD2 3.38Å; A761-Y765 VanDerWaalsContact O-CE2 3.23Å; A761-Y765 WeakPolarHBondContact O-CE2 3.42Å; A761-M890 HydrophobicContact CB-CB 4.47Å; A761-W891 HydrophobicContact CB-CD2 3.72Å; A761-W891 HydrophobicContact CB-CE3 3.96Å; A761-W891 HydrophobicContact CB-CG 4.08Å; A761-W891 HydrophobicContact CB-CZ2 4.3Å; A761-W891 HydrophobicContact CB-CZ3 4.35Å
762	S	84.2	Confident	82.3	Confident	62 Å²	62	46.4 Å²	46.4	43%	0.434	25%	0.252	S	S	.	.	H	α-helix	trans	-72.2	-40.4	-179.7	-58.8	0	0	0	0	111.9	I758 S764	I758-S762 WeakPolarHBondContact O-CB 3.06Å; I758-S762 PolarHBondContact O-N 3.06Å; I758-S762 PolarHBondContact O-OG 3.23Å; S762-S764 VanDerWaalsContact C-N 3.3Å; S762-S764 PolarHBondContact O-N 3.5Å
763	L	84.7	Confident	82.2	Confident	21 Å²	21	46.5 Å²	46.5	11%	0.11	25%	0.252	C	S	.	.	H	α-helix	trans	-79.3	-10.4	178.5	-64.6	171.2	0	0	0	113.1	S759 Y765 L766 S772 L775 M776 L779	S759-L763 VanDerWaalsContact O-CB 3.24Å; S759-L763 WeakPolarHBondContact O-CB 3.26Å; S759-L763 VanDerWaalsContact O-CG 3.26Å; S759-L763 WeakPolarHBondContact O-CG 3.16Å; S759-L763 PolarHBondContact O-N 3.21Å; L763-Y765 PolarHBondContact O-N 2.8Å; L763-L766 HydrophobicContact CB-CD1 4.42Å; L763-L766 HydrophobicContact CD2-CD1 3.55Å; L763-L766 PolarHBondContact O-N 2.66Å; L763-S772 WeakPolarHBondContact O-CB 3.07Å; L763-S772 PolarHBondContact O-OG 3.1Å; L763-L775 HydrophobicContact CD1-CB 3.64Å; L763-L775 HydrophobicContact CD2-CB 4.03Å; L763-L775 HydrophobicContact CD2-CD1 3.99Å; L763-L775 HydrophobicContact CG-CB 4.49Å; L763-M776 HydrophobicContact CB-CE 3.94Å; L763-M776 HydrophobicContact CB-CG 4.18Å; L763-M776 HydrophobicContact CD1-CB 4.24Å; L763-M776 HydrophobicContact CD1-CG 3.62Å; L763-M776 VanDerWaalsContact CD1-N 3.34Å; L763-L779 HydrophobicContact CD1-CD1 3.76Å; L763-L779 HydrophobicContact CG-CD1 4.49Å
764	S	78.7	Confident	82.3	Confident	33 Å²	33	48.2 Å²	48.2	23%	0.231	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-19.8	175.8	73.3	0	0	0	0	113.9	A760 A761 S762 L766 M890	A760-S764 WeakPolarHBondContact O-CB 3.44Å; A760-S764 PolarHBondContact O-N 3.22Å; A760-S764 VanDerWaalsContact O-N 3.12Å; A761-S764 PolarHBondContact O-OG 3.46Å; S762-S764 VanDerWaalsContact C-N 3.3Å; S762-S764 PolarHBondContact O-N 3.5Å; S764-L766 VanDerWaalsContact C-N 3.31Å; S764-M890 WeakPolarHBondContact CB-SD 3.21Å
765	Y	77.6	Confident	82.2	Confident	108 Å²	108	50.2 Å²	50.2	42%	0.424	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-8.2	177.2	-65.6	-72.2	0	0	0	114.1	Y498 A761 L763 E767 W891	Y498-Y765 PolarHBondContact OH-OH 2.83Å; A761-Y765 VanDerWaalsContact O-CD2 3.27Å; A761-Y765 WeakPolarHBondContact O-CD2 3.38Å; A761-Y765 VanDerWaalsContact O-CE2 3.23Å; A761-Y765 WeakPolarHBondContact O-CE2 3.42Å; L763-Y765 PolarHBondContact O-N 2.8Å; Y765-E767 PolarHBondContact O-N 3.2Å; Y765-W891 HydrophobicContact CE2-CZ2 4.41Å; Y765-W891 AromaticContact CE2-NE1 3.79Å; Y765-W891 AromaticContact CZ-NE1 3.77Å; Y765-W891 PolarHBondContact OH-NE1 3.38Å
766	L	78.8	Confident	82.2	Confident	75 Å²	75	48.8 Å²	48.8	39%	0.393	26%	0.256	S	S	.	.			trans	-76.8	116.9	173.9	-71.1	167	0	0	0	109.6	L763 S764 N768 S772 L775	L763-L766 HydrophobicContact CB-CD1 4.42Å; L763-L766 HydrophobicContact CD2-CD1 3.55Å; L763-L766 PolarHBondContact O-N 2.66Å; S764-L766 VanDerWaalsContact C-N 3.31Å; L766-N768 PolarHBondContact O-N 2.87Å; L766-N768 VanDerWaalsContact O-N 3.15Å; L766-S772 WeakPolarHBondContact CB-OG 3.43Å; L766-S772 PolarHBondContact O-OG 3.19Å; L766-S772 VanDerWaalsContact O-OG 3.14Å; L766-L775 HydrophobicContact CD1-CD1 4.05Å
767	E	63.4	Low	82.2	Confident	189 Å²	189	48.7 Å²	48.7	88%	0.883	26%	0.255	S	S	*	.	S	Bend	trans	-53.4	-35.3	179.6	-61.4	179.5	154.4	0	0	112.4	Y765 G769	Y765-E767 PolarHBondContact O-N 3.2Å; E767-G769 PolarHBondContact O-N 3.11Å
768	N	73.1	Confident	82.3	Confident	105 Å²	105	50 Å²	50	56%	0.561	27%	0.266	S	S	*	.			trans	-80.4	81.9	178.9	-74.7	-33.4	0	0	0	112.2	L766 N770 I771 S772	L766-N768 PolarHBondContact O-N 2.87Å; L766-N768 VanDerWaalsContact O-N 3.15Å; N768-N770 PolarHBondContact O-N 3.36Å; N768-I771 HydrophobicContact CB-CB 4.21Å; N768-I771 HydrophobicContact CB-CD1 3.85Å; N768-I771 HydrophobicContact CB-CG1 4.06Å; N768-I771 WeakPolarHBondContact O-CA 3.04Å; N768-I771 WeakPolarHBondContact O-CB 3.39Å; N768-I771 PolarHBondContact O-N 2.66Å; N768-S772 PolarHBondContact O-N 3.33Å; N768-S772 VanDerWaalsContact O-N 3.13Å; N768-S772 PolarHBondContact O-OG 3.25Å; N768-S772 VanDerWaalsContact O-OG 3.04Å
769	G	67.9	Low	82.3	Confident	25 Å²	25	50.6 Å²	50.6	26%	0.258	27%	0.269	S	S	.	.	H	α-helix	trans	-48.7	-35.1	178.7	0	0	0	0	0	114.8	E767 I771 S772 W773	E767-G769 PolarHBondContact O-N 3.11Å; G769-I771 VanDerWaalsContact C-N 3.26Å; G769-I771 PolarHBondContact O-N 3.35Å; G769-S772 PolarHBondContact O-N 3.04Å; G769-W773 PolarHBondContact O-N 3.35Å
770	N	76.3	Confident	82.1	Confident	101 Å²	101	50.1 Å²	50.1	54%	0.54	27%	0.266	S	S	.	.	H	α-helix	trans	-60.9	-27.2	174.6	-80.3	-12.6	0	0	0	114.8	Q645 N768 R774	Q645-N770 VanDerWaalsContact CD-OD1 3.29Å; Q645-N770 PolarHBondContact NE2-OD1 3.37Å; Q645-N770 PolarHBondContact OE1-OD1 3.31Å; N768-N770 PolarHBondContact O-N 3.36Å; N770-R774 WeakPolarHBondContact O-CD 3.49Å; N770-R774 VanDerWaalsContact O-CG 3.26Å; N770-R774 WeakPolarHBondContact O-CG 3.45Å; N770-R774 PolarHBondContact O-NE 3.08Å
771	I	83.2	Confident	82.1	Confident	85 Å²	85	51.3 Å²	51.3	44%	0.436	27%	0.273	S	S	.	.	H	α-helix	trans	-89.9	-41.6	176.6	-61.8	176.7	0	0	0	109.2	N768 G769 W773 R774 L775	N768-I771 HydrophobicContact CB-CB 4.21Å; N768-I771 HydrophobicContact CB-CD1 3.85Å; N768-I771 HydrophobicContact CB-CG1 4.06Å; N768-I771 WeakPolarHBondContact O-CA 3.04Å; N768-I771 WeakPolarHBondContact O-CB 3.39Å; N768-I771 PolarHBondContact O-N 2.66Å; G769-I771 VanDerWaalsContact C-N 3.26Å; G769-I771 PolarHBondContact O-N 3.35Å; I771-W773 PolarHBondContact O-N 3.05Å; I771-R774 PolarHBondContact O-N 2.98Å; I771-L775 HydrophobicContact CG2-CD1 3.65Å; I771-L775 HydrophobicContact CG2-CG 3.98Å; I771-L775 WeakPolarHBondContact O-CG 3.12Å; I771-L775 PolarHBondContact O-N 2.66Å
772	S	83.5	Confident	82.2	Confident	2 Å²	2	56.6 Å²	56.6	1%	0.014	30%	0.3	C	S	.	.	H	α-helix	trans	-52.7	-56	-175.8	-45	0	0	0	0	112.8	L763 L766 N768 G769 R774 L775 M776	L763-S772 WeakPolarHBondContact O-CB 3.07Å; L763-S772 PolarHBondContact O-OG 3.1Å; L766-S772 WeakPolarHBondContact CB-OG 3.43Å; L766-S772 PolarHBondContact O-OG 3.19Å; L766-S772 VanDerWaalsContact O-OG 3.14Å; N768-S772 PolarHBondContact O-N 3.33Å; N768-S772 VanDerWaalsContact O-N 3.13Å; N768-S772 PolarHBondContact O-OG 3.25Å; N768-S772 VanDerWaalsContact O-OG 3.04Å; G769-S772 PolarHBondContact O-N 3.04Å; S772-R774 PolarHBondContact O-N 3.01Å; S772-L775 PolarHBondContact O-N 2.95Å; S772-M776 WeakPolarHBondContact O-CG 3.5Å; S772-M776 PolarHBondContact O-N 3.02Å
773	W	86	Confident	82.2	Confident	2 Å²	2	55.5 Å²	55.5	1%	0.008	29%	0.292	C	S	.	.	H	α-helix	trans	-72	-27.7	-177.9	72.7	-102.9	0	0	0	113.1	I641 L642 F646 T698 S701 G769 I771 M776 F777	I641-W773 HydrophobicContact CG2-CB 4.4Å; L642-W773 HydrophobicContact CD2-CD2 4Å; L642-W773 HydrophobicContact CD2-CE3 4.07Å; L642-W773 HydrophobicContact CD2-CG 4.36Å; L642-W773 HydrophobicContact CD2-CZ3 4.48Å; F646-W773 HydrophobicContact CE2-CZ2 4.46Å; T698-W773 VanDerWaalsContact O-CZ3 3.31Å; T698-W773 WeakPolarHBondContact O-CZ3 3.5Å; S701-W773 WeakPolarHBondContact O-CH2 3.28Å; G769-W773 PolarHBondContact O-N 3.35Å; I771-W773 PolarHBondContact O-N 3.05Å; W773-M776 WeakPolarHBondContact O-CB 3.47Å; W773-M776 PolarHBondContact O-N 3.47Å; W773-F777 AromaticContact CE3-CD2 3.81Å; W773-F777 HydrophobicContact CE3-CD2 3.81Å; W773-F777 AromaticContact CE3-CE2 3.91Å; W773-F777 HydrophobicContact CE3-CE2 3.91Å; W773-F777 HydrophobicContact CZ3-CD2 4.15Å; W773-F777 HydrophobicContact CZ3-CE2 4.33Å; W773-F777 VanDerWaalsContact O-CD2 3.23Å; W773-F777 WeakPolarHBondContact O-CD2 3.45Å; W773-F777 PolarHBondContact O-N 3.3Å
774	R	90	Very high	82.3	Confident	70 Å²	70	54.6 Å²	54.6	26%	0.264	29%	0.287	S	S	.	.	H	α-helix	trans	-68.3	-43	174.8	-66.7	-178.1	-173.8	-104	9.1	111	S699 I700 N702 N770 I771 S772 M776 F777 A778	S699-R774 WeakPolarHBondContact O-CD 3.49Å; S699-R774 WeakPolarHBondContact O-CG 3.14Å; S699-R774 PolarHBondContact O-NH1 2.76Å; I700-R774 PolarHBondContact O-NH1 3.07Å; N702-R774 PolarHBondContact OD1-NH2 2.67Å; N770-R774 WeakPolarHBondContact O-CD 3.49Å; N770-R774 VanDerWaalsContact O-CG 3.26Å; N770-R774 WeakPolarHBondContact O-CG 3.45Å; N770-R774 PolarHBondContact O-NE 3.08Å; I771-R774 PolarHBondContact O-N 2.98Å; S772-R774 PolarHBondContact O-N 3.01Å; R774-M776 VanDerWaalsContact C-N 3.32Å; R774-M776 PolarHBondContact O-N 3.37Å; R774-F777 PolarHBondContact O-N 3.16Å; R774-A778 PolarHBondContact O-N 3.33Å
775	L	88	Confident	82.7	Confident	69 Å²	69	55.7 Å²	55.7	36%	0.361	29%	0.292	S	S	.	.	H	α-helix	trans	-64.5	-35.2	173.6	-69.9	179.7	0	0	0	112.2	L763 L766 I771 S772 F777 A778 L779	L763-L775 HydrophobicContact CD1-CB 3.64Å; L763-L775 HydrophobicContact CD2-CB 4.03Å; L763-L775 HydrophobicContact CD2-CD1 3.99Å; L763-L775 HydrophobicContact CG-CB 4.49Å; L766-L775 HydrophobicContact CD1-CD1 4.05Å; I771-L775 HydrophobicContact CG2-CD1 3.65Å; I771-L775 HydrophobicContact CG2-CG 3.98Å; I771-L775 WeakPolarHBondContact O-CG 3.12Å; I771-L775 PolarHBondContact O-N 2.66Å; S772-L775 PolarHBondContact O-N 2.95Å; L775-F777 VanDerWaalsContact C-N 3.25Å; L775-F777 PolarHBondContact O-N 3.35Å; L775-A778 PolarHBondContact O-N 2.9Å; L775-L779 WeakPolarHBondContact O-CG 3.28Å; L775-L779 PolarHBondContact O-N 3.39Å
776	M	89.4	Confident	83	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-56	-40.7	173.6	-73.9	174.5	-162.2	0	0	111.5	Y630 I634 A638 I641 A760 L763 S772 W773 R774	Y630-M776 VanDerWaalsContact CE1-O 3.27Å; Y630-M776 WeakPolarHBondContact CE1-O 3.22Å; Y630-M776 PolarHBondContact OH-O 3.21Å; I634-M776 HydrophobicContact CD1-CB 3.88Å; I634-M776 HydrophobicContact CD1-CG 4.25Å; I634-M776 HydrophobicContact CG1-CB 3.93Å; A638-M776 HydrophobicContact CB-SD 4.31Å; I641-M776 HydrophobicContact CD1-CE 3.73Å; A760-M776 HydrophobicContact CB-SD 4.38Å; A760-M776 WeakPolarHBondContact O-CE 2.97Å; L763-M776 HydrophobicContact CB-CE 3.94Å; L763-M776 HydrophobicContact CB-CG 4.18Å; L763-M776 HydrophobicContact CD1-CB 4.24Å; L763-M776 HydrophobicContact CD1-CG 3.62Å; L763-M776 VanDerWaalsContact CD1-N 3.34Å; S772-M776 WeakPolarHBondContact O-CG 3.5Å; S772-M776 PolarHBondContact O-N 3.02Å; W773-M776 WeakPolarHBondContact O-CB 3.47Å; W773-M776 PolarHBondContact O-N 3.47Å; R774-M776 VanDerWaalsContact C-N 3.32Å; R774-M776 PolarHBondContact O-N 3.37Å
777	F	89.5	Confident	83.3	Confident	1 Å²	1	49.3 Å²	49.3	0%	0.004	27%	0.272	C	S	.	.	H	α-helix	trans	-73.7	-45.1	173.2	-74.5	-67.5	0	0	0	113.3	I634 A638 L642 T698 S699 L707 R711 W773 R774 L775 L779 G780	I634-F777 HydrophobicContact CG2-CD1 4.37Å; I634-F777 HydrophobicContact CG2-CE1 4Å; A638-F777 HydrophobicContact CB-CE2 4.38Å; A638-F777 HydrophobicContact CB-CZ 4.43Å; L642-F777 HydrophobicContact CD1-CE2 4.49Å; T698-F777 HydrophobicContact CG2-CD1 4.35Å; T698-F777 HydrophobicContact CG2-CE1 4.35Å; T698-F777 WeakPolarHBondContact OG1-CD1 3.46Å; S699-F777 WeakPolarHBondContact OG-CB 3.42Å; L707-F777 HydrophobicContact CD1-CE2 4.11Å; L707-F777 HydrophobicContact CD1-CZ 4.21Å; R711-F777 VanDerWaalsContact CZ-CE1 3.46Å; W773-F777 AromaticContact CE3-CD2 3.81Å; W773-F777 HydrophobicContact CE3-CD2 3.81Å; W773-F777 AromaticContact CE3-CE2 3.91Å; W773-F777 HydrophobicContact CE3-CE2 3.91Å; W773-F777 HydrophobicContact CZ3-CD2 4.15Å; W773-F777 HydrophobicContact CZ3-CE2 4.33Å; W773-F777 VanDerWaalsContact O-CD2 3.23Å; W773-F777 WeakPolarHBondContact O-CD2 3.45Å; W773-F777 PolarHBondContact O-N 3.3Å; R774-F777 PolarHBondContact O-N 3.16Å; L775-F777 VanDerWaalsContact C-N 3.25Å; L775-F777 PolarHBondContact O-N 3.35Å; F777-L779 PolarHBondContact O-N 3.04Å; F777-G780 PolarHBondContact O-N 2.9Å
778	A	89	Confident	84.3	Confident	33 Å²	33	43.2 Å²	43.2	27%	0.273	25%	0.246	S	C	.	.	H	α-helix	trans	-61.2	-40.5	-175.6	0	0	0	0	0	113.1	S699 R774 L775 G780 T781	S699-A778 PolarHBondContact OG-N 2.91Å; R774-A778 PolarHBondContact O-N 3.33Å; L775-A778 PolarHBondContact O-N 2.9Å; A778-G780 PolarHBondContact O-N 2.87Å; A778-G780 VanDerWaalsContact O-N 3.15Å; A778-T781 WeakPolarHBondContact O-CB 3.35Å; A778-T781 PolarHBondContact O-N 2.68Å; A778-T781 PolarHBondContact O-OG1 3.02Å
779	L	89.6	Confident	84.9	Confident	68 Å²	68	45.9 Å²	45.9	36%	0.356	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-58.8	-28.1	179.4	-74.3	175.6	0	0	0	113.4	L763 L775 F777 T781 L782	L763-L779 HydrophobicContact CD1-CD1 3.76Å; L763-L779 HydrophobicContact CG-CD1 4.49Å; L775-L779 WeakPolarHBondContact O-CG 3.28Å; L775-L779 PolarHBondContact O-N 3.39Å; F777-L779 PolarHBondContact O-N 3.04Å; L779-T781 PolarHBondContact O-N 2.69Å; L779-L782 HydrophobicContact CD2-CD1 3.92Å; L779-L782 PolarHBondContact O-N 3.04Å
780	G	82.6	Confident	85.5	Confident	1 Å²	1	47 Å²	47	1%	0.01	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-65	-17	175.4	0	0	0	0	0	114.3	Y630 F777 A778	Y630-G780 VanDerWaalsContact CE1-CA 3.44Å; F777-G780 PolarHBondContact O-N 2.9Å; A778-G780 PolarHBondContact O-N 2.87Å; A778-G780 VanDerWaalsContact O-N 3.15Å
781	T	84.7	Confident	85.6	Confident	27 Å²	27	42.6 Å²	42.6	17%	0.166	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-78.9	-28	178.8	64.1	0	0	0	0	113.8	A695 A778 L779 V784 V785	A695-T781 HydrophobicContact CB-CG2 3.34Å; A778-T781 WeakPolarHBondContact O-CB 3.35Å; A778-T781 PolarHBondContact O-N 2.68Å; A778-T781 PolarHBondContact O-OG1 3.02Å; L779-T781 PolarHBondContact O-N 2.69Å; T781-V784 WeakPolarHBondContact O-CA 3.35Å; T781-V784 WeakPolarHBondContact O-CB 3.12Å; T781-V784 PolarHBondContact O-N 2.67Å; T781-V785 PolarHBondContact O-N 3.11Å
782	L	86.1	Confident	85.3	Confident	111 Å²	111	43.1 Å²	43.1	58%	0.581	24%	0.238	S	C	*	.	H	α-helix	trans	-57	-44.8	-169.5	-62.7	171.9	0	0	0	112.5	L779 V784 V785 A786	L779-L782 HydrophobicContact CD2-CD1 3.92Å; L779-L782 PolarHBondContact O-N 3.04Å; L782-V784 PolarHBondContact O-N 3.16Å; L782-V785 PolarHBondContact O-N 3.34Å; L782-A786 PolarHBondContact O-N 2.84Å
783	P	83.6	Confident	84.8	Confident	39 Å²	39	48.1 Å²	48.1	25%	0.253	26%	0.264	S	S	.	.	H	α-helix	trans	-74	-24.1	177.7	-23	40.6	0	0	0	113.6	F626 Q787	F626-P783 HydrophobicContact CD1-CB 3.85Å; F626-P783 HydrophobicContact CD1-CG 3.73Å; F626-P783 HydrophobicContact CE1-CB 4.17Å; F626-P783 HydrophobicContact CE1-CG 3.51Å; F626-P783 HydrophobicContact CE2-CG 4.43Å; F626-P783 HydrophobicContact CG-CB 4.27Å; F626-P783 HydrophobicContact CG-CG 4.35Å; F626-P783 HydrophobicContact CZ-CG 3.88Å; P783-Q787 VanDerWaalsContact O-CB 3.27Å; P783-Q787 WeakPolarHBondContact O-CB 3.09Å; P783-Q787 PolarHBondContact O-N 3.2Å
784	V	87.2	Confident	84.3	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.012	27%	0.265	C	S	.	.	H	α-helix	trans	-71.1	-40.8	175.2	-171	0	0	0	0	110.7	P627 C688 F691 I692 T781 L782 Q787 L788	P627-V784 HydrophobicContact CB-CG2 3.6Å; P627-V784 HydrophobicContact CG-CG2 3.96Å; C688-V784 HydrophobicContact CB-CG1 4.04Å; C688-V784 WeakPolarHBondContact O-CG1 3.18Å; F691-V784 HydrophobicContact CB-CG1 4.07Å; F691-V784 HydrophobicContact CB-CG2 4.33Å; I692-V784 HydrophobicContact CD1-CG1 4.16Å; I692-V784 HydrophobicContact CG1-CB 4.35Å; I692-V784 HydrophobicContact CG1-CG1 3.86Å; T781-V784 WeakPolarHBondContact O-CA 3.35Å; T781-V784 WeakPolarHBondContact O-CB 3.12Å; T781-V784 PolarHBondContact O-N 2.67Å; L782-V784 PolarHBondContact O-N 3.16Å; V784-Q787 PolarHBondContact O-N 3.49Å; V784-L788 WeakPolarHBondContact O-CB 3.36Å; V784-L788 PolarHBondContact O-N 2.79Å
785	V	87.4	Confident	83.6	Confident	56 Å²	56	48 Å²	48	34%	0.339	27%	0.272	S	S	.	.	H	α-helix	trans	-63.1	-48.2	172.7	174.5	0	0	0	0	110.2	I692 T781 L782 Q787 L788 F789	I692-V785 HydrophobicContact CD1-CG2 4.27Å; T781-V785 PolarHBondContact O-N 3.11Å; L782-V785 PolarHBondContact O-N 3.34Å; V785-Q787 VanDerWaalsContact C-N 3.28Å; V785-Q787 PolarHBondContact O-N 3.12Å; V785-L788 WeakPolarHBondContact O-CB 3.23Å; V785-L788 PolarHBondContact O-N 3.14Å; V785-L788 VanDerWaalsContact O-N 3.16Å; V785-F789 HydrophobicContact CG1-CD2 4.08Å; V785-F789 HydrophobicContact CG1-CE2 3.71Å; V785-F789 WeakPolarHBondContact O-CD2 3.34Å; V785-F789 PolarHBondContact O-N 2.96Å
786	A	84.4	Confident	83.2	Confident	48 Å²	48	46.1 Å²	46.1	40%	0.397	26%	0.261	S	S	.	.	H	α-helix	trans	-58.6	-39.3	175	0	0	0	0	0	112.4	L782 F789 L790	L782-A786 PolarHBondContact O-N 2.84Å; A786-F789 PolarHBondContact O-N 2.64Å; A786-L790 WeakPolarHBondContact O-CG 3.39Å; A786-L790 PolarHBondContact O-N 3.35Å
787	Q	83.8	Confident	82.3	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-66.1	-41.5	175.7	-171.2	169.8	23.3	0	0	112.4	A620 T621 M623 M624 P783 V784 V785 F789 L790 L791	A620-Q787 PolarHBondContact O-NE2 3.18Å; T621-Q787 PolarHBondContact O-NE2 2.91Å; M623-Q787 HydrophobicContact CE-CB 3.97Å; M623-Q787 HydrophobicContact CE-CG 4.21Å; M624-Q787 VanDerWaalsContact N-NE2 3.19Å; P783-Q787 VanDerWaalsContact O-CB 3.27Å; P783-Q787 WeakPolarHBondContact O-CB 3.09Å; P783-Q787 PolarHBondContact O-N 3.2Å; V784-Q787 PolarHBondContact O-N 3.49Å; V785-Q787 VanDerWaalsContact C-N 3.28Å; V785-Q787 PolarHBondContact O-N 3.12Å; Q787-F789 VanDerWaalsContact C-N 3.26Å; Q787-F789 PolarHBondContact O-N 2.96Å; Q787-L790 WeakPolarHBondContact O-CA 2.89Å; Q787-L790 WeakPolarHBondContact O-CB 3.38Å; Q787-L790 PolarHBondContact O-N 3.4Å; Q787-L791 HydrophobicContact CG-CD2 4.36Å; Q787-L791 WeakPolarHBondContact O-CG 3.23Å; Q787-L791 PolarHBondContact O-N 2.95Å
788	L	86	Confident	81.3	Confident	61 Å²	61	54.2 Å²	54.2	32%	0.319	30%	0.297	S	S	.	.	H	α-helix	trans	-57.7	-38.7	177.4	-173.1	63.4	0	0	0	111.8	C688 I692 V784 V785 L790 L791 P792	C688-L788 HydrophobicContact CB-CD1 4.17Å; I692-L788 HydrophobicContact CD1-CD2 4.12Å; V784-L788 WeakPolarHBondContact O-CB 3.36Å; V784-L788 PolarHBondContact O-N 2.79Å; V785-L788 WeakPolarHBondContact O-CB 3.23Å; V785-L788 PolarHBondContact O-N 3.14Å; V785-L788 VanDerWaalsContact O-N 3.16Å; L788-L790 VanDerWaalsContact C-N 3.32Å; L788-L790 PolarHBondContact O-N 2.98Å; L788-L791 HydrophobicContact CD1-CD1 4.26Å; L788-P792 WeakPolarHBondContact O-CD 3.5Å
789	F	84.7	Confident	80.2	Confident	161 Å²	161	56.1 Å²	56.1	71%	0.706	30%	0.3	S	S	*	.	H	α-helix	trans	-70.4	-20.8	172.8	-74.2	-68.2	0	0	0	114.6	V785 A786 Q787 P792	V785-F789 HydrophobicContact CG1-CD2 4.08Å; V785-F789 HydrophobicContact CG1-CE2 3.71Å; V785-F789 WeakPolarHBondContact O-CD2 3.34Å; V785-F789 PolarHBondContact O-N 2.96Å; A786-F789 PolarHBondContact O-N 2.64Å; Q787-F789 VanDerWaalsContact C-N 3.26Å; Q787-F789 PolarHBondContact O-N 2.96Å; F789-P792 WeakPolarHBondContact O-CD 3.42Å
790	L	80.1	Confident	79.3	Confident	48 Å²	48	54.5 Å²	54.5	25%	0.251	29%	0.289	S	S	.	.	H	α-helix	trans	-89.3	-23.8	176.9	-69.2	165.2	0	0	0	113.2	F616 A620 M623 A786 Q787 L788 P792 L793	F616-L790 HydrophobicContact CZ-CD2 4.09Å; A620-L790 HydrophobicContact CB-CB 4.46Å; M623-L790 HydrophobicContact CE-CD1 3.47Å; M623-L790 VanDerWaalsContact CE-CD1 3.47Å; A786-L790 WeakPolarHBondContact O-CG 3.39Å; A786-L790 PolarHBondContact O-N 3.35Å; Q787-L790 WeakPolarHBondContact O-CA 2.89Å; Q787-L790 WeakPolarHBondContact O-CB 3.38Å; Q787-L790 PolarHBondContact O-N 3.4Å; L788-L790 VanDerWaalsContact C-N 3.32Å; L788-L790 PolarHBondContact O-N 2.98Å; L790-P792 VanDerWaalsContact C-N 3.34Å; L790-L793 HydrophobicContact CD2-CD1 4.01Å; L790-L793 WeakPolarHBondContact O-CB 3.13Å; L790-L793 PolarHBondContact O-N 3.4Å
791	L	79	Confident	78.5	Confident	9 Å²	9	57.7 Å²	57.7	5%	0.047	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-55.4	-32.7	178.3	-64.6	-171.5	0	0	0	115.3	K681 I684 Q787 L788 L793 I794	K681-L791 WeakPolarHBondContact CE-O 3.45Å; K681-L791 PolarHBondContact NZ-O 3.42Å; I684-L791 HydrophobicContact CG2-CD1 4.39Å; I684-L791 HydrophobicContact CG2-CD2 3.91Å; Q787-L791 HydrophobicContact CG-CD2 4.36Å; Q787-L791 WeakPolarHBondContact O-CG 3.23Å; Q787-L791 PolarHBondContact O-N 2.95Å; L788-L791 HydrophobicContact CD1-CD1 4.26Å; L791-L793 PolarHBondContact O-N 3.48Å; L791-I794 HydrophobicContact CD2-CD1 3.87Å; L791-I794 PolarHBondContact O-N 3.13Å
792	P	77.5	Confident	77.4	Confident	96 Å²	96	58.4 Å²	58.4	62%	0.623	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-56.8	-34.9	173.1	-28.6	37.1	0	0	0	113.6	L788 F789 L790 I794	L788-P792 WeakPolarHBondContact O-CD 3.5Å; F789-P792 WeakPolarHBondContact O-CD 3.42Å; L790-P792 VanDerWaalsContact C-N 3.34Å; P792-I794 PolarHBondContact O-N 3.11Å
793	L	71.9	Confident	76.3	Confident	107 Å²	107	57.3 Å²	57.3	56%	0.56	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-74.4	-10.6	-179.2	-57.3	171.7	0	0	0	113.5	F616 L790 L791	F616-L793 HydrophobicContact CE1-CB 4.37Å; F616-L793 HydrophobicContact CE1-CD1 3.97Å; F616-L793 HydrophobicContact CZ-CD1 4.11Å; L790-L793 HydrophobicContact CD2-CD1 4.01Å; L790-L793 WeakPolarHBondContact O-CB 3.13Å; L790-L793 PolarHBondContact O-N 3.4Å; L791-L793 PolarHBondContact O-N 3.48Å
794	I	77	Confident	75.4	Confident	8 Å²	8	60.5 Å²	60.5	4%	0.041	33%	0.325	C	S	.	.	S	Bend	trans	-93.2	129	-175.3	-64.5	178.4	0	0	0	110.7	I617 A620 K681 Y728 L791 P792	I617-I794 HydrophobicContact CG2-CG2 4.08Å; A620-I794 HydrophobicContact CB-CD1 3.79Å; A620-I794 HydrophobicContact CB-CG1 4.31Å; K681-I794 WeakPolarHBondContact CD-O 3.01Å; K681-I794 WeakPolarHBondContact CE-O 3.23Å; K681-I794 PolarHBondContact NZ-O 3.46Å; Y728-I794 HydrophobicContact CE1-CG2 4.42Å; Y728-I794 WeakPolarHBondContact OH-CG2 3.27Å; L791-I794 HydrophobicContact CD2-CD1 3.87Å; L791-I794 PolarHBondContact O-N 3.13Å; P792-I794 PolarHBondContact O-N 3.11Å
795	P	74.7	Confident	73.7	Confident	61 Å²	61	62.5 Å²	62.5	40%	0.396	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-75.9	155.2	173	32.2	-35.1	0	0	0	112.2	I617 Y728	I617-P795 VanDerWaalsContact CD1-CD 3.47Å; I617-P795 HydrophobicContact CD1-CG 3.79Å; Y728-P795 PolarHBondContact OH-O 2.68Å
796	E	78.3	Confident	71.9	Confident	30 Å²	30	65.4 Å²	65.4	14%	0.14	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-70.5	156.8	169.4	-175.4	58.7	-84.6	0	0	111	R680 K681 K798 W800 L801	R680-E796 PolarHBondContact N-OE1 3.46Å; K681-E796 VanDerWaalsContact CB-OE2 3.26Å; K681-E796 WeakPolarHBondContact CB-OE2 3.3Å; K681-E796 PolarHBondContact N-OE1 3.03Å; K681-E796 PolarHBondContact N-OE2 2.98Å; K681-E796 VanDerWaalsContact N-OE2 3.15Å; E796-K798 PolarHBondContact O-N 3.37Å; E796-W800 HydrophobicContact CG-CE3 3.64Å; E796-W800 HydrophobicContact CG-CZ3 3.96Å; E796-L801 HydrophobicContact CB-CD1 4.08Å; E796-L801 HydrophobicContact CB-CD2 4.37Å; E796-L801 HydrophobicContact CB-CG 4.14Å; E796-L801 HydrophobicContact CG-CD2 4.28Å; E796-L801 HydrophobicContact CG-CG 4.1Å
797	S	72.1	Confident	70.2	Confident	1 Å²	1	66.7 Å²	66.7	1%	0.007	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-55.9	133.6	-178.8	171	0	0	0	0	112.3	E731 E799 W800 L801	E731-S797 WeakPolarHBondContact OE2-CB 3.5Å; E731-S797 PolarHBondContact OE2-OG 3.08Å; S797-E799 VanDerWaalsContact C-N 3.31Å; S797-E799 PolarHBondContact O-N 3.14Å; S797-E799 PolarHBondContact OG-N 3.25Å; S797-W800 PolarHBondContact O-N 2.97Å; S797-L801 VanDerWaalsContact O-CB 3.31Å; S797-L801 WeakPolarHBondContact O-CB 3.43Å; S797-L801 VanDerWaalsContact O-CG 3.27Å; S797-L801 WeakPolarHBondContact O-CG 3.25Å; S797-L801 PolarHBondContact O-N 3.42Å
798	K	67.5	Low	68.3	Low	171 Å²	171	74.8 Å²	74.8	74%	0.743	39%	0.393	S	S	*	.	H	α-helix	trans	-64.5	-34.8	175.7	-64.7	-179.2	-177.4	177.1	0	112.3	E796 A802	E796-K798 PolarHBondContact O-N 3.37Å; K798-A802 VanDerWaalsContact O-CB 3.26Å; K798-A802 WeakPolarHBondContact O-CB 3.49Å; K798-A802 PolarHBondContact O-N 3.14Å
799	E	67.2	Low	66.3	Low	72 Å²	72	81 Å²	81	34%	0.336	41%	0.413	S	S	.	.	H	α-helix	trans	-68.4	-43.7	179.2	-64.3	-172.6	-178.4	0	0	110.5	E731 S797 A802 S803 R1098	E731-E799 HydrophobicContact CG-CG 4.5Å; S797-E799 VanDerWaalsContact C-N 3.31Å; S797-E799 PolarHBondContact O-N 3.14Å; S797-E799 PolarHBondContact OG-N 3.25Å; E799-A802 PolarHBondContact O-N 3.32Å; E799-S803 PolarHBondContact O-N 3.4Å; E799-R1098 IonicContact OE2-NH1 3.37Å; E799-R1098 PolarHBondContact OE2-NH1 3.13Å
800	W	69.5	Low	64.3	Low	34 Å²	34	77 Å²	77	13%	0.129	40%	0.401	C	S	.	.	H	α-helix	trans	-71.8	-36.3	175.8	-172.1	90.7	0	0	0	113	E676 G679 E796 S797 S803 K804	E676-W800 PolarHBondContact O-NE1 3.15Å; G679-W800 VanDerWaalsContact CA-CE2 3.41Å; E796-W800 HydrophobicContact CG-CE3 3.64Å; E796-W800 HydrophobicContact CG-CZ3 3.96Å; S797-W800 PolarHBondContact O-N 2.97Å; W800-S803 PolarHBondContact O-N 2.64Å; W800-S803 PolarHBondContact O-OG 3.41Å; W800-K804 HydrophobicContact CD2-CG 4.19Å; W800-K804 HydrophobicContact CE3-CG 4.31Å; W800-K804 HydrophobicContact CH2-CG 4.18Å; W800-K804 HydrophobicContact CZ2-CD 4.27Å; W800-K804 HydrophobicContact CZ2-CG 4.04Å; W800-K804 HydrophobicContact CZ3-CG 4.3Å; W800-K804 WeakPolarHBondContact O-CG 3.31Å; W800-K804 PolarHBondContact O-N 3.48Å
801	L	65.6	Low	62.6	Low	69 Å²	69	79.1 Å²	79.1	36%	0.361	43%	0.426	S	S	.	.	H	α-helix	trans	-67.2	-35.3	173	-75.5	174.6	0	0	0	112.2	E796 S797 K804 T805	E796-L801 HydrophobicContact CB-CD1 4.08Å; E796-L801 HydrophobicContact CB-CD2 4.37Å; E796-L801 HydrophobicContact CB-CG 4.14Å; E796-L801 HydrophobicContact CG-CD2 4.28Å; E796-L801 HydrophobicContact CG-CG 4.1Å; S797-L801 VanDerWaalsContact O-CB 3.31Å; S797-L801 WeakPolarHBondContact O-CB 3.43Å; S797-L801 VanDerWaalsContact O-CG 3.27Å; S797-L801 WeakPolarHBondContact O-CG 3.25Å; S797-L801 PolarHBondContact O-N 3.42Å; L801-K804 PolarHBondContact O-N 3.06Å; L801-T805 WeakPolarHBondContact O-CA 3.26Å; L801-T805 WeakPolarHBondContact O-CB 3.24Å; L801-T805 PolarHBondContact O-N 3.13Å; L801-T805 PolarHBondContact O-OG1 3.48Å
802	A	62	Low	61	Low	42 Å²	42	82.9 Å²	82.9	35%	0.347	46%	0.458	S	S	.	.	H	α-helix	trans	-63.2	-45.8	175.1	0	0	0	0	0	111.1	K798 E799 K804	K798-A802 VanDerWaalsContact O-CB 3.26Å; K798-A802 WeakPolarHBondContact O-CB 3.49Å; K798-A802 PolarHBondContact O-N 3.14Å; E799-A802 PolarHBondContact O-N 3.32Å; A802-K804 VanDerWaalsContact C-N 3.29Å; A802-K804 PolarHBondContact O-N 2.79Å
803	S	62.2	Low	59.4	Low	87 Å²	87	85.5 Å²	85.5	61%	0.608	46%	0.461	S	S	*	.	H	α-helix	trans	-68.1	-22.9	179.1	68.8	0	0	0	0	114.4	E799 W800	E799-S803 PolarHBondContact O-N 3.4Å; W800-S803 PolarHBondContact O-N 2.64Å; W800-S803 PolarHBondContact O-OG 3.41Å
804	K	64.7	Low	58	Low	107 Å²	107	88.2 Å²	88.2	47%	0.465	47%	0.465	S	S	.	.	H	α-helix	trans	-99.1	-37.4	178.8	-68	-82.9	-175.3	173.3	0	115	W800 L801 A802	W800-K804 HydrophobicContact CD2-CG 4.19Å; W800-K804 HydrophobicContact CE3-CG 4.31Å; W800-K804 HydrophobicContact CH2-CG 4.18Å; W800-K804 HydrophobicContact CZ2-CD 4.27Å; W800-K804 HydrophobicContact CZ2-CG 4.04Å; W800-K804 HydrophobicContact CZ3-CG 4.3Å; W800-K804 WeakPolarHBondContact O-CG 3.31Å; W800-K804 PolarHBondContact O-N 3.48Å; L801-K804 PolarHBondContact O-N 3.06Å; A802-K804 VanDerWaalsContact C-N 3.29Å; A802-K804 PolarHBondContact O-N 2.79Å
805	T	52.8	Low	56.1	Low	44 Å²	44	91.1 Å²	91.1	27%	0.27	50%	0.498	S	S	.	.	H	α-helix	trans	-101.8	-35	-160	-36.4	0	0	0	0	113.3	L801 A807 K808 R809	L801-T805 WeakPolarHBondContact O-CA 3.26Å; L801-T805 WeakPolarHBondContact O-CB 3.24Å; L801-T805 PolarHBondContact O-N 3.13Å; L801-T805 PolarHBondContact O-OG1 3.48Å; T805-A807 PolarHBondContact O-N 2.91Å; T805-K808 PolarHBondContact O-N 2.92Å; T805-K808 VanDerWaalsContact O-N 3.14Å; T805-R809 HydrophobicContact CG2-CG 4.44Å; T805-R809 PolarHBondContact O-N 3.42Å; T805-R809 VanDerWaalsContact O-N 3.15Å
806	Q	49	Very low	54.5	Low	117 Å²	117	98.5 Å²	98.5	55%	0.547	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-9.1	174.7	-72.4	-178.1	-46.2	0	0	112.9	T810	Q806-T810 PolarHBondContact O-OG1 2.91Å
807	A	48.1	Very low	52.8	Low	74 Å²	74	101 Å²	101	61%	0.612	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-23	168.2	0	0	0	0	0	113.6	T805	T805-A807 PolarHBondContact O-N 2.91Å
808	K	44.7	Very low	51.3	Low	171 Å²	171	106.4 Å²	106.4	74%	0.743	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.1	-39.8	-172.1	-69.9	-166.6	174.4	-167.8	0	115.3	T805	T805-K808 PolarHBondContact O-N 2.92Å; T805-K808 VanDerWaalsContact O-N 3.14Å
809	R	44.6	Very low	50	Low	193 Å²	193	104.8 Å²	104.8	73%	0.728	59%	0.586	S	S	*	*	S	Bend	trans	-79.1	-31.3	-177.4	-74.8	-175.4	172.9	168.8	-3.2	113.5	T805 A811 A812	T805-R809 HydrophobicContact CG2-CG 4.44Å; T805-R809 PolarHBondContact O-N 3.42Å; T805-R809 VanDerWaalsContact O-N 3.15Å; R809-A811 PolarHBondContact O-N 3.42Å; R809-A812 PolarHBondContact O-N 3.49Å
810	T	42.3	Very low	48.6	Very low	77 Å²	77	103.2 Å²	103.2	47%	0.472	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.2	-18	-178.5	-20.7	0	0	0	0	112.8	Q806	Q806-T810 PolarHBondContact O-OG1 2.91Å
811	A	43.5	Very low	47.1	Very low	92 Å²	92	103.6 Å²	103.6	76%	0.76	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-17.4	175.9	0	0	0	0	0	114.2	R809	R809-A811 PolarHBondContact O-N 3.42Å
812	A	45.3	Very low	45.7	Very low	88 Å²	88	108.3 Å²	108.3	73%	0.727	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.9	-11.6	-166.6	0	0	0	0	0	115.4	R809	R809-A812 PolarHBondContact O-N 3.49Å
813	H	45.1	Very low	44.6	Very low	150 Å²	150	110.2 Å²	110.2	69%	0.694	64%	0.636	S	S	*	*	S	Bend	trans	-130.9	-6	-164.5	-154.1	67.3	0	0	0	116.2
814	Y	40.9	Very low	43.4	Very low	164 Å²	164	109.9 Å²	109.9	64%	0.643	63%	0.627	S	S	*	*			trans	-128.3	43	-174.5	-86.3	-84.1	0	0	0	113.8
815	G	38.6	Very low	42.1	Very low	70 Å²	70	106.5 Å²	106.5	72%	0.722	62%	0.623	S	S	*	*	S	Bend	trans	-68.2	129.6	151.4	0	0	0	0	0	109.6
816	K	41.3	Very low	41.5	Very low	215 Å²	215	112 Å²	112	94%	0.935	65%	0.645	S	S	*	*	S	Bend	trans	71.4	68.1	168.2	-49	178.8	-178.7	-178.6	0	118.1
817	S	40.8	Very low	41.1	Very low	84 Å²	84	108.2 Å²	108.2	59%	0.587	63%	0.634	S	S	*	*			trans	-162.3	136.2	142.1	-172.1	0	0	0	0	112.9
818	S	42.1	Very low	40.5	Very low	114 Å²	114	111.5 Å²	111.5	80%	0.797	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-74.1	-31.3	-170.1	-178.5	0	0	0	0	114.5	A820 G821	S818-A820 PolarHBondContact O-N 2.99Å; S818-A820 VanDerWaalsContact O-N 3.09Å; S818-G821 PolarHBondContact O-N 3.47Å
819	V	40.2	Very low	40.6	Very low	136 Å²	136	109.4 Å²	109.4	82%	0.824	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-70.7	-9.3	-173.5	-172.1	0	0	0	0	113	G821	V819-G821 VanDerWaalsContact C-N 3.28Å; V819-G821 PolarHBondContact O-N 2.89Å
820	A	37.9	Very low	40.5	Very low	39 Å²	39	108.7 Å²	108.7	32%	0.322	63%	0.632	S	S	.	*	G	3₁₀ helix	trans	-76.5	-8.8	175.5	0	0	0	0	0	114.4	S818 L824	S818-A820 PolarHBondContact O-N 2.99Å; S818-A820 VanDerWaalsContact O-N 3.09Å; A820-L824 PolarHBondContact O-N 3.14Å
821	G	36.3	Very low	40.6	Very low	42 Å²	42	110 Å²	110	43%	0.433	64%	0.639	S	S	.	*	H	α-helix	trans	-65.7	-42.1	-170	0	0	0	0	0	116	S818 V819 L824 G825	S818-G821 PolarHBondContact O-N 3.47Å; V819-G821 VanDerWaalsContact C-N 3.28Å; V819-G821 PolarHBondContact O-N 2.89Å; G821-L824 WeakPolarHBondContact O-CA 3.35Å; G821-L824 WeakPolarHBondContact O-CB 3.36Å; G821-L824 PolarHBondContact O-N 2.92Å; G821-L824 VanDerWaalsContact O-N 3.13Å; G821-G825 PolarHBondContact O-N 3.21Å
822	E	37.8	Very low	40.5	Very low	169 Å²	169	111.6 Å²	111.6	79%	0.79	64%	0.64	S	S	*	*	H	α-helix	trans	-74.4	-35.5	-175.2	-64.7	-177.3	154.3	0	0	112.6	L824 G825	E822-L824 PolarHBondContact O-N 3.37Å; E822-G825 PolarHBondContact O-N 3.48Å
823	A	37.9	Very low	40.5	Very low	81 Å²	81	115.3 Å²	115.3	67%	0.669	64%	0.643	S	S	*	*	H	α-helix	trans	-64.2	-24.2	169.9	0	0	0	0	0	112.2
824	L	38.1	Very low	40.4	Very low	81 Å²	81	111.8 Å²	111.8	42%	0.424	64%	0.639	S	S	.	*	H	α-helix	trans	-73.3	-32	176.5	-139.9	82.5	0	0	0	112.8	A820 G821 E822 A827 K828	A820-L824 PolarHBondContact O-N 3.14Å; G821-L824 WeakPolarHBondContact O-CA 3.35Å; G821-L824 WeakPolarHBondContact O-CB 3.36Å; G821-L824 PolarHBondContact O-N 2.92Å; G821-L824 VanDerWaalsContact O-N 3.13Å; E822-L824 PolarHBondContact O-N 3.37Å; L824-A827 PolarHBondContact O-N 3.05Å; L824-K828 PolarHBondContact O-N 2.91Å
825	G	36	Very low	40.3	Very low	36 Å²	36	108 Å²	108	37%	0.371	64%	0.637	S	S	.	*	H	α-helix	trans	-65.2	-52.8	-174.1	0	0	0	0	0	113.2	G821 E822 A827 K828	G821-G825 PolarHBondContact O-N 3.21Å; E822-G825 PolarHBondContact O-N 3.48Å; G825-A827 PolarHBondContact O-N 3.46Å; G825-K828 PolarHBondContact O-N 3.15Å
826	H	40.2	Very low	40.9	Very low	159 Å²	159	113.5 Å²	113.5	74%	0.736	64%	0.641	S	S	*	*	H	α-helix	trans	-64.8	-22.4	177.3	-73.3	102	0	0	0	113.6
827	A	41.6	Very low	41.2	Very low	38 Å²	38	105.7 Å²	105.7	31%	0.314	61%	0.606	S	S	.	*	H	α-helix	trans	-79.5	-38.1	175	0	0	0	0	0	112.5	L824 G825 I829 T831	L824-A827 PolarHBondContact O-N 3.05Å; G825-A827 PolarHBondContact O-N 3.46Å; A827-I829 PolarHBondContact O-N 3.04Å; A827-T831 PolarHBondContact O-OG1 3.32Å
828	K	35.9	Very low	41.7	Very low	143 Å²	143	107.3 Å²	107.3	62%	0.622	60%	0.604	S	S	*	*	H	α-helix	trans	-64.2	-37.2	-178.1	-89.2	-176.2	172.4	-178.7	0	114.1	L824 G825 K830 T831 T832	L824-K828 PolarHBondContact O-N 2.91Å; G825-K828 PolarHBondContact O-N 3.15Å; K828-K830 VanDerWaalsContact C-N 3.32Å; K828-K830 PolarHBondContact O-N 3.3Å; K828-T831 PolarHBondContact O-N 3.13Å; K828-T832 PolarHBondContact O-OG1 3.3Å
829	I	46	Very low	42.3	Very low	126 Å²	126	107.1 Å²	107.1	65%	0.646	59%	0.593	S	S	*	*	H	α-helix	trans	-66.2	-32.9	-172.8	-62.8	171.2	0	0	0	112.2	A827	A827-I829 PolarHBondContact O-N 3.04Å
830	K	41.9	Very low	43	Very low	179 Å²	179	105.5 Å²	105.5	78%	0.778	59%	0.586	S	S	*	*	H	α-helix	trans	-80.6	-18.9	-177.1	-68.7	-170.4	174.9	-171.7	0	114.5	K828	K828-K830 VanDerWaalsContact C-N 3.32Å; K828-K830 PolarHBondContact O-N 3.3Å
831	T	44.9	Very low	43.8	Very low	103 Å²	103	107.3 Å²	107.3	63%	0.632	59%	0.593	S	S	*	*	H	α-helix	trans	-86.9	-24.3	-171.4	-41.6	0	0	0	0	113	A827 K828	A827-T831 PolarHBondContact O-OG1 3.32Å; K828-T831 PolarHBondContact O-N 3.13Å
832	T	42.3	Very low	44.8	Very low	126 Å²	126	105.8 Å²	105.8	77%	0.773	58%	0.575	S	S	*	*	S	Bend	trans	-88.5	-14.6	-170.7	-37.1	0	0	0	0	114.3	K828	K828-T832 PolarHBondContact O-OG1 3.3Å
833	Q	44.3	Very low	46	Very low	167 Å²	167	99.9 Å²	99.9	78%	0.78	55%	0.551	S	S	*	*	S	Bend	trans	-98.3	-1.4	-177.8	-86.3	-176.5	-18.5	0	0	115.2	S835	Q833-S835 PolarHBondContact O-N 3.2Å
834	A	42.4	Very low	47.1	Very low	76 Å²	76	100.1 Å²	100.1	63%	0.628	55%	0.548	S	S	*	.			trans	-78.4	63.1	-179.9	0	0	0	0	0	112.5
835	S	40.5	Very low	48.6	Very low	84 Å²	84	102 Å²	102	59%	0.587	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-65.4	136.9	174.6	61.7	0	0	0	0	111.6	Q833	Q833-S835 PolarHBondContact O-N 3.2Å
836	K	51.1	Low	50.4	Low	185 Å²	185	104.3 Å²	104.3	80%	0.804	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-49.4	137.5	-179.6	-67.3	176.8	177.3	176.1	0	112.8	Q838	K836-Q838 PolarHBondContact O-N 3.43Å
837	W	46.4	Very low	51.8	Low	52 Å²	52	99.4 Å²	99.4	20%	0.197	53%	0.533	C	S	.	.	P	Polyproline II helix	trans	-61.4	124.3	166.2	-111.1	92.5	0	0	0	110.4	L839 V843 T848 W1096 A1097 M1100	W837-L839 HydrophobicContact CE3-CD1 3.89Å; W837-L839 HydrophobicContact CZ3-CD1 3.87Å; W837-V843 HydrophobicContact CH2-CG2 4.41Å; W837-V843 HydrophobicContact CZ3-CG2 4.13Å; W837-T848 HydrophobicContact CH2-CG2 3.84Å; W837-T848 HydrophobicContact CZ2-CG2 4.04Å; W837-W1096 AromaticContact CD1-CE3 3.35Å; W837-W1096 AromaticContact CD1-CZ3 3.48Å; W837-W1096 VanDerWaalsContact CD1-CZ3 3.48Å; W837-W1096 HydrophobicContact CD2-CZ3 4.11Å; W837-W1096 AromaticContact CE2-CZ3 3.5Å; W837-W1096 HydrophobicContact CG-CE3 4.28Å; W837-W1096 HydrophobicContact CG-CZ3 4.06Å; W837-W1096 HydrophobicContact CZ2-CH2 4.29Å; W837-W1096 HydrophobicContact CZ2-CZ3 4.07Å; W837-W1096 AromaticContact NE1-CE3 3.13Å; W837-W1096 AromaticContact NE1-CH2 3.99Å; W837-W1096 AromaticContact NE1-CZ3 3.04Å; W837-W1096 PolarHBondContact NE1-O 2.98Å; W837-A1097 HydrophobicContact CZ2-CB 3.63Å; W837-M1100 HydrophobicContact CB-CE 4.43Å; W837-M1100 HydrophobicContact CB-SD 3.63Å; W837-M1100 HydrophobicContact CD2-CE 4.31Å; W837-M1100 HydrophobicContact CD2-SD 3.78Å; W837-M1100 HydrophobicContact CE3-CE 4.11Å; W837-M1100 HydrophobicContact CE3-SD 4.2Å; W837-M1100 HydrophobicContact CG-CE 4.44Å; W837-M1100 HydrophobicContact CG-SD 3.49Å
838	Q	52.9	Low	53.4	Low	118 Å²	118	98.1 Å²	98.1	55%	0.551	52%	0.522	S	S	*	.			trans	-125.7	115.5	169	-74.8	179	-26.9	0	0	107.4	K836 T841 S842	K836-Q838 PolarHBondContact O-N 3.43Å; Q838-T841 WeakPolarHBondContact CB-OG1 3.44Å; Q838-T841 PolarHBondContact O-N 2.94Å; Q838-T841 PolarHBondContact O-OG1 3.48Å; Q838-S842 PolarHBondContact N-OG 3.21Å; Q838-S842 WeakPolarHBondContact O-CB 3.34Å; Q838-S842 PolarHBondContact O-N 3.05Å; Q838-S842 PolarHBondContact O-OG 3.31Å
839	L	53.9	Low	55.6	Low	109 Å²	109	97.1 Å²	97.1	57%	0.571	51%	0.514	S	S	*	.	H	α-helix	trans	-60.5	-35.3	-163.9	-144.9	75.2	0	0	0	115.5	W837 V843 M1100	W837-L839 HydrophobicContact CE3-CD1 3.89Å; W837-L839 HydrophobicContact CZ3-CD1 3.87Å; L839-V843 WeakPolarHBondContact O-CB 3.46Å; L839-V843 WeakPolarHBondContact O-CG2 3.27Å; L839-M1100 HydrophobicContact CD1-CE 3.53Å
840	P	53.9	Low	57.3	Low	103 Å²	103	93.5 Å²	93.5	67%	0.669	49%	0.492	S	S	*	.	H	α-helix	trans	-75.7	-47.2	176.1	27.4	-31.5	0	0	0	112.4	S842 S844	P840-S842 PolarHBondContact O-N 3.39Å; P840-S844 WeakPolarHBondContact O-CB 3.19Å; P840-S844 PolarHBondContact O-N 3.41Å
841	T	55.8	Low	59.2	Low	77 Å²	77	85.1 Å²	85.1	47%	0.472	46%	0.456	S	S	.	.	H	α-helix	trans	-70.1	-33.9	-175.1	56.1	0	0	0	0	112.6	Q838	Q838-T841 WeakPolarHBondContact CB-OG1 3.44Å; Q838-T841 PolarHBondContact O-N 2.94Å; Q838-T841 PolarHBondContact O-OG1 3.48Å
842	S	57.6	Low	61.2	Low	9 Å²	9	82.4 Å²	82.4	6%	0.063	44%	0.438	C	S	.	.	H	α-helix	trans	-78.3	-30.5	-177.8	-56	0	0	0	0	112.7	Q838 P840 T848	Q838-S842 PolarHBondContact N-OG 3.21Å; Q838-S842 WeakPolarHBondContact O-CB 3.34Å; Q838-S842 PolarHBondContact O-N 3.05Å; Q838-S842 PolarHBondContact O-OG 3.31Å; P840-S842 PolarHBondContact O-N 3.39Å; S842-T848 WeakPolarHBondContact O-CB 3.35Å; S842-T848 WeakPolarHBondContact O-CG2 3.39Å; S842-T848 PolarHBondContact O-OG1 3.43Å
843	V	63.5	Low	63.3	Low	46 Å²	46	80.5 Å²	80.5	28%	0.279	42%	0.422	S	S	.	.	H	α-helix	trans	-80.4	-27.1	173.5	176.7	0	0	0	0	112	W837 L839 K845 R849	W837-V843 HydrophobicContact CH2-CG2 4.41Å; W837-V843 HydrophobicContact CZ3-CG2 4.13Å; L839-V843 WeakPolarHBondContact O-CB 3.46Å; L839-V843 WeakPolarHBondContact O-CG2 3.27Å; V843-K845 PolarHBondContact O-N 2.97Å; V843-R849 WeakPolarHBondContact O-CB 3.35Å
844	S	60.2	Low	65.3	Low	86 Å²	86	73.2 Å²	73.2	60%	0.601	39%	0.388	S	S	*	.	H	α-helix	trans	-62.4	-29.8	174.7	-172.3	0	0	0	0	113.1	P840 N846	P840-S844 WeakPolarHBondContact O-CB 3.19Å; P840-S844 PolarHBondContact O-N 3.41Å; S844-N846 PolarHBondContact O-N 3.24Å
845	K	68.9	Low	67.3	Low	119 Å²	119	69.6 Å²	69.6	52%	0.517	36%	0.359	S	S	.	.	S	Bend	trans	-60.2	121.1	175.3	-68.7	-177.1	179.2	-179.7	0	110.9	V843 E847 T848 R849	V843-K845 PolarHBondContact O-N 2.97Å; K845-E847 PolarHBondContact O-N 3.45Å; K845-E847 VanDerWaalsContact O-N 3.1Å; K845-T848 PolarHBondContact O-N 3.35Å; K845-T848 VanDerWaalsContact O-N 3.12Å; K845-R849 PolarHBondContact O-N 3.31Å
846	N	73.4	Confident	69.6	Low	86 Å²	86	66.7 Å²	66.7	46%	0.46	34%	0.338	S	S	.	.	H	α-helix	trans	-52	-36.7	-178.1	-81.5	-31.9	0	0	0	113.7	S844 R849 R850	S844-N846 PolarHBondContact O-N 3.24Å; N846-R849 PolarHBondContact OD1-NH2 3.34Å; N846-R850 WeakPolarHBondContact O-CB 3.34Å; N846-R850 WeakPolarHBondContact O-CD 3.4Å; N846-R850 WeakPolarHBondContact O-CG 3.34Å; N846-R850 PolarHBondContact O-N 3.48Å
847	E	71.2	Confident	71.3	Confident	55 Å²	55	59.3 Å²	59.3	26%	0.257	31%	0.31	S	S	.	.	H	α-helix	trans	-61.9	-57.1	176.3	-67.5	158	-134.9	0	0	111.8	K845 R849 R850 S851 K1167	K845-E847 PolarHBondContact O-N 3.45Å; K845-E847 VanDerWaalsContact O-N 3.1Å; E847-R849 VanDerWaalsContact C-N 3.3Å; E847-R849 PolarHBondContact O-N 2.97Å; E847-R850 PolarHBondContact O-N 3.13Å; E847-S851 PolarHBondContact O-N 2.67Å; E847-S851 PolarHBondContact O-OG 2.91Å; E847-K1167 HydrophobicContact CG-CG 3.75Å; E847-K1167 IonicContact OE1-NZ 3.72Å; E847-K1167 PolarHBondContact OE1-NZ 2.83Å; E847-K1167 IonicContact OE2-NZ 2.74Å; E847-K1167 PolarHBondContact OE2-NZ 3.36Å
848	T	74.4	Confident	73.2	Confident	11 Å²	11	57.1 Å²	57.1	7%	0.067	30%	0.302	C	S	.	.	H	α-helix	trans	-61.4	-38.7	178.9	-36.7	0	0	0	0	111.9	W837 S842 K845 S851 L852	W837-T848 HydrophobicContact CH2-CG2 3.84Å; W837-T848 HydrophobicContact CZ2-CG2 4.04Å; S842-T848 WeakPolarHBondContact O-CB 3.35Å; S842-T848 WeakPolarHBondContact O-CG2 3.39Å; S842-T848 PolarHBondContact O-OG1 3.43Å; K845-T848 PolarHBondContact O-N 3.35Å; K845-T848 VanDerWaalsContact O-N 3.12Å; T848-S851 WeakPolarHBondContact O-CB 3.27Å; T848-S851 PolarHBondContact O-N 3.18Å; T848-L852 WeakPolarHBondContact O-CB 3.34Å; T848-L852 PolarHBondContact O-N 2.93Å
849	R	81.2	Confident	74.8	Confident	123 Å²	123	51.5 Å²	51.5	46%	0.464	28%	0.276	S	S	.	.	H	α-helix	trans	-63.9	-45.6	178.3	-169.9	164	59.5	157.5	-3.8	111.9	V843 K845 N846 E847 L852 L853	V843-R849 WeakPolarHBondContact O-CB 3.35Å; K845-R849 PolarHBondContact O-N 3.31Å; N846-R849 PolarHBondContact OD1-NH2 3.34Å; E847-R849 VanDerWaalsContact C-N 3.3Å; E847-R849 PolarHBondContact O-N 2.97Å; R849-L852 PolarHBondContact O-N 3.44Å; R849-L853 HydrophobicContact CG-CD1 4.09Å; R849-L853 WeakPolarHBondContact O-CB 3.24Å; R849-L853 WeakPolarHBondContact O-CG 3.47Å; R849-L853 PolarHBondContact O-N 3.28Å
850	R	82.5	Confident	76.4	Confident	50 Å²	50	48.5 Å²	48.5	19%	0.189	26%	0.259	C	S	.	.	H	α-helix	trans	-61.6	-47.3	175.2	-73.2	168.8	-175.9	-176.8	-2.3	110.6	N846 E847 L852 L853 I854 L1166 K1167	N846-R850 WeakPolarHBondContact O-CB 3.34Å; N846-R850 WeakPolarHBondContact O-CD 3.4Å; N846-R850 WeakPolarHBondContact O-CG 3.34Å; N846-R850 PolarHBondContact O-N 3.48Å; E847-R850 PolarHBondContact O-N 3.13Å; R850-L852 PolarHBondContact O-N 3.49Å; R850-L853 PolarHBondContact O-N 3.07Å; R850-I854 WeakPolarHBondContact O-CB 3.49Å; R850-I854 WeakPolarHBondContact O-CD1 3.25Å; R850-I854 VanDerWaalsContact O-CG1 3.28Å; R850-I854 WeakPolarHBondContact O-CG1 3.41Å; R850-I854 PolarHBondContact O-N 2.9Å; R850-I854 VanDerWaalsContact O-N 3.07Å; R850-L1166 HydrophobicContact CB-CD2 4.42Å; R850-L1166 WeakPolarHBondContact CD-O 3.06Å; R850-L1166 PolarHBondContact NH1-O 2.03Å; R850-K1167 PolarHBondContact NH1-O 2.91Å
851	S	82.8	Confident	77.9	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-54	-49.9	173.5	-68.2	0	0	0	0	112.6	E847 T848 G855 L1092 L1166	E847-S851 PolarHBondContact O-N 2.67Å; E847-S851 PolarHBondContact O-OG 2.91Å; T848-S851 WeakPolarHBondContact O-CB 3.27Å; T848-S851 PolarHBondContact O-N 3.18Å; S851-G855 PolarHBondContact O-N 2.86Å; S851-L1092 WeakPolarHBondContact O-CD2 3.44Å; S851-L1092 PolarHBondContact OG-O 3.48Å; S851-L1166 VanDerWaalsContact OG-CD1 3.22Å; S851-L1166 WeakPolarHBondContact OG-CD1 3.47Å
852	L	86	Confident	79.2	Confident	45 Å²	45	43.1 Å²	43.1	24%	0.236	22%	0.219	C	C	.	.	H	α-helix	trans	-66.2	-45.5	-177.1	-175.4	61.8	0	0	0	112.3	T848 R849 R850 I854 G855 C856 Y1093 A1104	T848-L852 WeakPolarHBondContact O-CB 3.34Å; T848-L852 PolarHBondContact O-N 2.93Å; R849-L852 PolarHBondContact O-N 3.44Å; R850-L852 PolarHBondContact O-N 3.49Å; L852-I854 PolarHBondContact O-N 2.98Å; L852-G855 PolarHBondContact O-N 3.43Å; L852-C856 WeakPolarHBondContact O-CB 3.35Å; L852-C856 PolarHBondContact O-N 3.41Å; L852-C856 PolarHBondContact O-SG 2.87Å; L852-C856 VanDerWaalsContact O-SG 3.34Å; L852-Y1093 HydrophobicContact CD1-CE1 4.34Å; L852-A1104 HydrophobicContact CD1-CB 3.95Å
853	L	86.2	Confident	80.6	Confident	87 Å²	87	43.1 Å²	43.1	46%	0.455	22%	0.219	S	C	.	.	H	α-helix	trans	-60.5	-46.1	178.6	-72.6	171.5	0	0	0	111.6	R849 R850 C856 S857	R849-L853 HydrophobicContact CG-CD1 4.09Å; R849-L853 WeakPolarHBondContact O-CB 3.24Å; R849-L853 WeakPolarHBondContact O-CG 3.47Å; R849-L853 PolarHBondContact O-N 3.28Å; R850-L853 PolarHBondContact O-N 3.07Å; L853-C856 PolarHBondContact O-N 3.18Å; L853-S857 WeakPolarHBondContact O-CB 3.37Å; L853-S857 PolarHBondContact O-N 3.29Å; L853-S857 PolarHBondContact O-OG 3.47Å
854	I	86.2	Confident	81.7	Confident	13 Å²	13	42.5 Å²	42.5	7%	0.067	21%	0.214	C	C	.	.	H	α-helix	trans	-59.9	-49.9	176.2	-68.6	163.6	0	0	0	110.5	R850 L852 C856 S857 V858 L1092 I1150 L1151 P1152 L1166	R850-I854 WeakPolarHBondContact O-CB 3.49Å; R850-I854 WeakPolarHBondContact O-CD1 3.25Å; R850-I854 VanDerWaalsContact O-CG1 3.28Å; R850-I854 WeakPolarHBondContact O-CG1 3.41Å; R850-I854 PolarHBondContact O-N 2.9Å; R850-I854 VanDerWaalsContact O-N 3.07Å; L852-I854 PolarHBondContact O-N 2.98Å; I854-C856 PolarHBondContact O-N 2.73Å; I854-S857 PolarHBondContact O-N 3.45Å; I854-V858 HydrophobicContact CG2-CG2 4.48Å; I854-V858 WeakPolarHBondContact O-CG2 3.35Å; I854-V858 PolarHBondContact O-N 2.68Å; I854-V858 VanDerWaalsContact O-N 3.09Å; I854-L1092 HydrophobicContact CB-CD2 3.99Å; I854-L1092 HydrophobicContact CG2-CD2 3.82Å; I854-I1150 HydrophobicContact CD1-CG2 4.23Å; I854-I1150 HydrophobicContact CG1-CG2 3.76Å; I854-L1151 HydrophobicContact CG2-CD1 3.73Å; I854-P1152 HydrophobicContact CD1-CG 4.41Å; I854-L1166 HydrophobicContact CD1-CD2 4.02Å
855	G	84.7	Confident	82.8	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.6	-41.5	-179.6	0	0	0	0	0	113.7	S851 L852 N1089	S851-G855 PolarHBondContact O-N 2.86Å; L852-G855 PolarHBondContact O-N 3.43Å; G855-N1089 PolarHBondContact O-ND2 3.23Å
856	C	89.4	Confident	83.5	Confident	23 Å²	23	33 Å²	33	16%	0.155	16%	0.162	C	C	.	.	H	α-helix	trans	-72.6	-43.3	177.9	-69.1	0	0	0	0	112.6	L852 L853 I854 V858 L859 M860 V1108	L852-C856 WeakPolarHBondContact O-CB 3.35Å; L852-C856 PolarHBondContact O-N 3.41Å; L852-C856 PolarHBondContact O-SG 2.87Å; L852-C856 VanDerWaalsContact O-SG 3.34Å; L853-C856 PolarHBondContact O-N 3.18Å; I854-C856 PolarHBondContact O-N 2.73Å; C856-V858 VanDerWaalsContact C-N 3.34Å; C856-V858 PolarHBondContact O-N 3.2Å; C856-L859 PolarHBondContact O-N 3.24Å; C856-M860 WeakPolarHBondContact O-CB 3.34Å; C856-M860 PolarHBondContact O-N 2.79Å; C856-V1108 HydrophobicContact CB-CB 4.46Å; C856-V1108 HydrophobicContact CB-CG1 4.34Å; C856-V1108 HydrophobicContact CB-CG2 4.18Å
857	S	87	Confident	84	Confident	30 Å²	30	29.4 Å²	29.4	21%	0.21	14%	0.143	C	C	.	.	H	α-helix	trans	-62.1	-40.9	179.2	-63.9	0	0	0	0	112.1	L853 I854 L859 M860 F861 M1147	L853-S857 WeakPolarHBondContact O-CB 3.37Å; L853-S857 PolarHBondContact O-N 3.29Å; L853-S857 PolarHBondContact O-OG 3.47Å; I854-S857 PolarHBondContact O-N 3.45Å; S857-L859 VanDerWaalsContact C-N 3.32Å; S857-L859 PolarHBondContact O-N 3.07Å; S857-M860 PolarHBondContact O-N 3.02Å; S857-F861 WeakPolarHBondContact O-CD2 3.36Å; S857-F861 PolarHBondContact O-N 3.4Å; S857-F861 VanDerWaalsContact O-N 3.09Å; S857-M1147 VanDerWaalsContact C-CE 3.48Å
858	V	85.7	Confident	84.4	Confident	6 Å²	6	27.4 Å²	27.4	4%	0.036	13%	0.134	C	C	.	.	H	α-helix	trans	-58.5	-43.1	178	172	0	0	0	0	111.3	I854 C856 Q862 I920 P1085 M1147 L1151	I854-V858 HydrophobicContact CG2-CG2 4.48Å; I854-V858 WeakPolarHBondContact O-CG2 3.35Å; I854-V858 PolarHBondContact O-N 2.68Å; I854-V858 VanDerWaalsContact O-N 3.09Å; C856-V858 VanDerWaalsContact C-N 3.34Å; C856-V858 PolarHBondContact O-N 3.2Å; V858-Q862 PolarHBondContact O-N 3.49Å; V858-I920 HydrophobicContact CG1-CD1 4.02Å; V858-P1085 HydrophobicContact CG1-CB 3.79Å; V858-P1085 HydrophobicContact CG1-CG 4.06Å; V858-M1147 HydrophobicContact CB-SD 4.33Å; V858-M1147 HydrophobicContact CG2-CE 4.1Å; V858-M1147 HydrophobicContact CG2-SD 3.53Å; V858-M1147 VanDerWaalsContact CG2-SD 3.53Å; V858-L1151 HydrophobicContact CG2-CD1 4Å
859	L	85.9	Confident	84.8	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-78.4	-31.4	179.6	-69.7	172.5	0	0	0	113.6	C856 S857 Q862 Q863 P1085 A1105 N1109	C856-L859 PolarHBondContact O-N 3.24Å; S857-L859 VanDerWaalsContact C-N 3.32Å; S857-L859 PolarHBondContact O-N 3.07Å; L859-Q862 WeakPolarHBondContact O-CB 3.33Å; L859-Q862 PolarHBondContact O-N 3.41Å; L859-Q863 PolarHBondContact O-N 3.47Å; L859-P1085 HydrophobicContact CD2-CB 3.58Å; L859-P1085 HydrophobicContact CG-CB 4.49Å; L859-A1105 HydrophobicContact CD1-CB 3.74Å; L859-A1105 VanDerWaalsContact CD1-O 3.32Å; L859-A1105 WeakPolarHBondContact CD1-O 3.5Å; L859-N1109 HydrophobicContact CB-CB 3.98Å; L859-N1109 HydrophobicContact CD1-CB 4.16Å; L859-N1109 HydrophobicContact CD2-CB 4.43Å; L859-N1109 HydrophobicContact CG-CB 4.42Å
860	M	88.5	Confident	84.8	Confident	46 Å²	46	21 Å²	21	23%	0.227	11%	0.109	C	C	.	.	H	α-helix	trans	-61.7	-53.6	173.9	176.9	179.8	82.1	0	0	111.4	C856 S857 Q862 Q863 L864 V1108 F1112	C856-M860 WeakPolarHBondContact O-CB 3.34Å; C856-M860 PolarHBondContact O-N 2.79Å; S857-M860 PolarHBondContact O-N 3.02Å; M860-Q862 VanDerWaalsContact C-N 3.25Å; M860-Q862 PolarHBondContact O-N 2.84Å; M860-Q863 PolarHBondContact O-N 3.27Å; M860-Q863 VanDerWaalsContact O-N 3.12Å; M860-L864 HydrophobicContact CG-CD1 4.04Å; M860-L864 PolarHBondContact O-N 3.26Å; M860-V1108 HydrophobicContact CB-CG1 4.16Å; M860-F1112 HydrophobicContact CB-CD2 4.18Å; M860-F1112 HydrophobicContact CB-CE2 4.23Å; M860-F1112 HydrophobicContact CG-CD1 4.1Å; M860-F1112 HydrophobicContact CG-CD2 3.71Å; M860-F1112 HydrophobicContact CG-CE1 3.91Å; M860-F1112 HydrophobicContact CG-CE2 3.52Å; M860-F1112 HydrophobicContact CG-CG 4Å; M860-F1112 HydrophobicContact CG-CZ 3.63Å; M860-F1112 HydrophobicContact SD-CE1 4.17Å; M860-F1112 HydrophobicContact SD-CE2 3.72Å; M860-F1112 HydrophobicContact SD-CZ 3.51Å; M860-F1112 VanDerWaalsContact SD-CZ 3.51Å
861	F	85.3	Confident	84.7	Confident	37 Å²	37	19.4 Å²	19.4	16%	0.162	10%	0.104	C	C	.	.	H	α-helix	trans	-67.9	-25.8	-179.1	-77.2	-71.5	0	0	0	112.9	S857 Q863 L864 L1146 M1147	S857-F861 WeakPolarHBondContact O-CD2 3.36Å; S857-F861 PolarHBondContact O-N 3.4Å; S857-F861 VanDerWaalsContact O-N 3.09Å; F861-Q863 VanDerWaalsContact C-N 3.33Å; F861-Q863 PolarHBondContact O-N 2.89Å; F861-L864 HydrophobicContact CD1-CD1 4.11Å; F861-L864 HydrophobicContact CE1-CD1 4.24Å; F861-L1146 HydrophobicContact CD2-CD2 4.27Å; F861-L1146 HydrophobicContact CE2-CD2 3.4Å; F861-L1146 HydrophobicContact CZ-CD2 3.99Å; F861-M1147 HydrophobicContact CD2-CE 3.88Å
862	Q	83.6	Confident	84.7	Confident	30 Å²	30	20.2 Å²	20.2	14%	0.14	11%	0.107	C	C	.	.	H	α-helix	trans	-56.5	-46	169.3	-177.5	-174.3	-27.1	0	0	111.5	V858 L859 M860 T865 F1068 P1085	V858-Q862 PolarHBondContact O-N 3.49Å; L859-Q862 WeakPolarHBondContact O-CB 3.33Å; L859-Q862 PolarHBondContact O-N 3.41Å; M860-Q862 VanDerWaalsContact C-N 3.25Å; M860-Q862 PolarHBondContact O-N 2.84Å; Q862-T865 PolarHBondContact O-OG1 2.69Å; Q862-F1068 HydrophobicContact CG-CE2 3.71Å; Q862-F1068 HydrophobicContact CG-CZ 3.57Å; Q862-F1068 WeakPolarHBondContact O-CE2 3.43Å; Q862-P1085 VanDerWaalsContact OE1-CG 3.24Å
863	Q	87	Confident	84.4	Confident	10 Å²	10	19.1 Å²	19.1	5%	0.047	10%	0.1	C	C	.	.	H	α-helix	trans	-77.5	-35.5	-176.3	-63.5	-62.7	-27.1	0	0	113.1	L859 M860 F861 T865 G866 T868 N1109 F1112 C1113	L859-Q863 PolarHBondContact O-N 3.47Å; M860-Q863 PolarHBondContact O-N 3.27Å; M860-Q863 VanDerWaalsContact O-N 3.12Å; F861-Q863 VanDerWaalsContact C-N 3.33Å; F861-Q863 PolarHBondContact O-N 2.89Å; Q863-T865 PolarHBondContact O-N 2.81Å; Q863-G866 PolarHBondContact O-N 3.45Å; Q863-T868 PolarHBondContact OE1-OG1 2.95Å; Q863-N1109 PolarHBondContact NE2-OD1 3.07Å; Q863-F1112 HydrophobicContact CB-CB 3.67Å; Q863-F1112 HydrophobicContact CG-CB 4.24Å; Q863-C1113 HydrophobicContact CG-CB 4.12Å
864	L	85.2	Confident	84.3	Confident	33 Å²	33	15 Å²	15	17%	0.173	8%	0.079	C	C	.	.	H	α-helix	trans	-62.6	-13.4	178.6	-71.3	174.2	0	0	0	114.5	M860 F861 G866 F1112	M860-L864 HydrophobicContact CG-CD1 4.04Å; M860-L864 PolarHBondContact O-N 3.26Å; F861-L864 HydrophobicContact CD1-CD1 4.11Å; F861-L864 HydrophobicContact CE1-CD1 4.24Å; L864-G866 PolarHBondContact O-N 3.3Å; L864-F1112 HydrophobicContact CD1-CE1 4.49Å; L864-F1112 HydrophobicContact CD2-CD1 3.8Å; L864-F1112 HydrophobicContact CD2-CE1 4.18Å; L864-F1112 HydrophobicContact CG-CD1 4.08Å; L864-F1112 HydrophobicContact CG-CE1 4.49Å
865	T	84.4	Confident	83.8	Confident	6 Å²	6	14.4 Å²	14.4	4%	0.037	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-13	169	63.7	0	0	0	0	114.1	Q862 Q863 F1064 F1068	Q862-T865 PolarHBondContact O-OG1 2.69Å; Q863-T865 PolarHBondContact O-N 2.81Å; T865-F1064 WeakPolarHBondContact O-CE2 2.89Å; T865-F1064 WeakPolarHBondContact O-CZ 3.09Å; T865-F1068 HydrophobicContact CG2-CD2 4.35Å; T865-F1068 WeakPolarHBondContact OG1-CD2 3.42Å
866	G	83.2	Confident	83.5	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.09	C	C	.	.			trans	82.6	10.8	-177.2	0	0	0	0	0	114.6	Q863 L864 T868 C869 V870	Q863-G866 PolarHBondContact O-N 3.45Å; L864-G866 PolarHBondContact O-N 3.3Å; G866-T868 VanDerWaalsContact C-N 3.32Å; G866-T868 PolarHBondContact O-N 3.45Å; G866-C869 VanDerWaalsContact O-CB 3.28Å; G866-C869 WeakPolarHBondContact O-CB 3.32Å; G866-C869 PolarHBondContact O-N 3.23Å; G866-V870 PolarHBondContact O-N 3.04Å
867	V	82.9	Confident	83.2	Confident	9 Å²	9	15.5 Å²	15.5	6%	0.055	8%	0.083	C	C	.	.	H	α-helix	trans	-52.1	-46.4	-175.8	62.4	0	0	0	0	113.7	C869 V870 M871 F1064 F1068	V867-C869 VanDerWaalsContact C-N 3.27Å; V867-C869 PolarHBondContact O-N 3.43Å; V867-V870 PolarHBondContact O-N 3.11Å; V867-M871 HydrophobicContact CG2-CE 4.39Å; V867-M871 HydrophobicContact CG2-CG 4.14Å; V867-M871 WeakPolarHBondContact O-CB 3.38Å; V867-M871 VanDerWaalsContact O-CG 3.27Å; V867-M871 WeakPolarHBondContact O-CG 3.48Å; V867-M871 PolarHBondContact O-N 3.17Å; V867-F1064 HydrophobicContact CB-CE1 4.3Å; V867-F1064 HydrophobicContact CB-CZ 3.99Å; V867-F1064 HydrophobicContact CG2-CE1 4.45Å; V867-F1068 HydrophobicContact CB-CD1 4.13Å; V867-F1068 HydrophobicContact CB-CD2 3.81Å; V867-F1068 HydrophobicContact CB-CE1 4.11Å; V867-F1068 HydrophobicContact CB-CE2 3.74Å; V867-F1068 HydrophobicContact CB-CG 4.01Å; V867-F1068 HydrophobicContact CB-CZ 3.91Å; V867-F1068 HydrophobicContact CG1-CD2 4.26Å; V867-F1068 HydrophobicContact CG1-CE1 4.21Å; V867-F1068 HydrophobicContact CG1-CE2 3.66Å; V867-F1068 HydrophobicContact CG1-CZ 3.65Å; V867-F1068 HydrophobicContact CG2-CD1 3.49Å; V867-F1068 VanDerWaalsContact CG2-CD1 3.49Å; V867-F1068 HydrophobicContact CG2-CD2 4.11Å; V867-F1068 HydrophobicContact CG2-CE1 3.55Å; V867-F1068 HydrophobicContact CG2-CE2 4.13Å; V867-F1068 HydrophobicContact CG2-CG 3.81Å; V867-F1068 HydrophobicContact CG2-CZ 3.87Å
868	T	79.6	Confident	83	Confident	13 Å²	13	14.1 Å²	14.1	8%	0.08	7%	0.073	C	C	.	.	H	α-helix	trans	-64.8	-34.8	-177.5	-57.8	0	0	0	0	111.1	I661 Q863 G866 M871 F872 C1113 A1117	I661-T868 HydrophobicContact CD1-CG2 4.27Å; Q863-T868 PolarHBondContact OE1-OG1 2.95Å; G866-T868 VanDerWaalsContact C-N 3.32Å; G866-T868 PolarHBondContact O-N 3.45Å; T868-M871 PolarHBondContact O-N 2.84Å; T868-F872 HydrophobicContact CG2-CD1 4.23Å; T868-F872 HydrophobicContact CG2-CD2 3.71Å; T868-F872 HydrophobicContact CG2-CE1 4.05Å; T868-F872 HydrophobicContact CG2-CE2 3.57Å; T868-F872 HydrophobicContact CG2-CG 4.08Å; T868-F872 HydrophobicContact CG2-CZ 3.74Å; T868-F872 VanDerWaalsContact O-CB 3.31Å; T868-F872 WeakPolarHBondContact O-CB 3.44Å; T868-F872 WeakPolarHBondContact O-CG 3.44Å; T868-F872 PolarHBondContact O-N 3.3Å; T868-C1113 VanDerWaalsContact CG2-SG 3.56Å; T868-C1113 PolarHBondContact OG1-SG 3.24Å; T868-A1117 HydrophobicContact CG2-CB 3.95Å
869	C	82.7	Confident	82.6	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.4	-50.4	175.5	-50.9	0	0	0	0	111.4	G866 V867 M871 F872 Y873 T1116 F1120	G866-C869 VanDerWaalsContact O-CB 3.28Å; G866-C869 WeakPolarHBondContact O-CB 3.32Å; G866-C869 PolarHBondContact O-N 3.23Å; V867-C869 VanDerWaalsContact C-N 3.27Å; V867-C869 PolarHBondContact O-N 3.43Å; C869-M871 VanDerWaalsContact C-N 3.3Å; C869-M871 PolarHBondContact O-N 2.76Å; C869-F872 PolarHBondContact O-N 2.76Å; C869-Y873 WeakPolarHBondContact O-CB 3.47Å; C869-Y873 WeakPolarHBondContact O-CD2 3.32Å; C869-Y873 PolarHBondContact O-N 3.48Å; C869-T1116 PolarHBondContact SG-O 3.19Å; C869-F1120 HydrophobicContact CB-CB 4.06Å; C869-F1120 HydrophobicContact CB-CD2 3.5Å; C869-F1120 VanDerWaalsContact CB-CD2 3.5Å; C869-F1120 HydrophobicContact CB-CE2 4.1Å; C869-F1120 HydrophobicContact CB-CG 3.83Å
870	V	83.1	Confident	82.3	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64.3	-37.1	-179.9	-177.8	0	0	0	0	111	G866 V867 Y874 F1064 L1065	G866-V870 PolarHBondContact O-N 3.04Å; V867-V870 PolarHBondContact O-N 3.11Å; V870-Y874 HydrophobicContact CG1-CD2 4.41Å; V870-Y874 WeakPolarHBondContact O-CA 3.46Å; V870-Y874 VanDerWaalsContact O-CB 3.26Å; V870-Y874 WeakPolarHBondContact O-CB 3.37Å; V870-Y874 PolarHBondContact O-N 3.41Å; V870-F1064 HydrophobicContact CB-CD1 4.05Å; V870-F1064 HydrophobicContact CB-CE1 3.83Å; V870-F1064 HydrophobicContact CG1-CD1 3.99Å; V870-F1064 HydrophobicContact CG1-CE1 4.25Å; V870-F1064 HydrophobicContact CG2-CD1 3.84Å; V870-F1064 HydrophobicContact CG2-CE1 3.67Å; V870-F1064 HydrophobicContact CG2-CZ 4.49Å; V870-L1065 HydrophobicContact CB-CD2 4.48Å; V870-L1065 HydrophobicContact CG1-CD1 4.18Å; V870-L1065 HydrophobicContact CG1-CD2 3.96Å; V870-L1065 HydrophobicContact CG1-CG 4Å
871	M	80.1	Confident	81.9	Confident	16 Å²	16	16 Å²	16	8%	0.079	8%	0.081	C	C	.	.	H	α-helix	trans	-68.8	-49.1	177	-73.1	-69.5	-173.4	0	0	113.3	V867 T868 C869 P896 S900 L1065	V867-M871 HydrophobicContact CG2-CE 4.39Å; V867-M871 HydrophobicContact CG2-CG 4.14Å; V867-M871 WeakPolarHBondContact O-CB 3.38Å; V867-M871 VanDerWaalsContact O-CG 3.27Å; V867-M871 WeakPolarHBondContact O-CG 3.48Å; V867-M871 PolarHBondContact O-N 3.17Å; T868-M871 PolarHBondContact O-N 2.84Å; C869-M871 VanDerWaalsContact C-N 3.3Å; C869-M871 PolarHBondContact O-N 2.76Å; M871-P896 HydrophobicContact CE-CB 4.46Å; M871-P896 HydrophobicContact SD-CB 3.58Å; M871-P896 VanDerWaalsContact SD-CB 3.58Å; M871-S900 WeakPolarHBondContact CE-OG 3.5Å; M871-L1065 HydrophobicContact CE-CD2 3.49Å; M871-L1065 VanDerWaalsContact CE-CD2 3.49Å; M871-L1065 HydrophobicContact CG-CD2 4.28Å; M871-L1065 HydrophobicContact SD-CD2 3.86Å
872	F	81.6	Confident	81.3	Confident	20 Å²	20	14.7 Å²	14.7	9%	0.088	8%	0.078	C	C	.	.	H	α-helix	trans	-77.5	-43.3	-171.3	-72.7	4.6	0	0	0	111.9	S636 T657 I661 T868 C869 Y874 A1117	S636-F872 WeakPolarHBondContact CB-O 3.36Å; S636-F872 PolarHBondContact OG-O 2.85Å; T657-F872 HydrophobicContact CG2-CB 4.09Å; T657-F872 HydrophobicContact CG2-CD2 3.37Å; T657-F872 HydrophobicContact CG2-CE2 4.01Å; T657-F872 HydrophobicContact CG2-CG 4.08Å; I661-F872 HydrophobicContact CD1-CE2 3.6Å; I661-F872 HydrophobicContact CD1-CZ 4.21Å; I661-F872 HydrophobicContact CG1-CE2 4.29Å; T868-F872 HydrophobicContact CG2-CD1 4.23Å; T868-F872 HydrophobicContact CG2-CD2 3.71Å; T868-F872 HydrophobicContact CG2-CE1 4.05Å; T868-F872 HydrophobicContact CG2-CE2 3.57Å; T868-F872 HydrophobicContact CG2-CG 4.08Å; T868-F872 HydrophobicContact CG2-CZ 3.74Å; T868-F872 VanDerWaalsContact O-CB 3.31Å; T868-F872 WeakPolarHBondContact O-CB 3.44Å; T868-F872 WeakPolarHBondContact O-CG 3.44Å; T868-F872 PolarHBondContact O-N 3.3Å; C869-F872 PolarHBondContact O-N 2.76Å; F872-Y874 VanDerWaalsContact C-N 3.31Å; F872-Y874 PolarHBondContact O-N 2.67Å; F872-A1117 HydrophobicContact CD2-CB 4.36Å
873	Y	80	Confident	80.8	Confident	22 Å²	22	14.8 Å²	14.8	9%	0.086	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	16.1	-179.7	-57.5	-71	0	0	0	112.9	C869 G875 S876 I877 A1117 F1120	C869-Y873 WeakPolarHBondContact O-CB 3.47Å; C869-Y873 WeakPolarHBondContact O-CD2 3.32Å; C869-Y873 PolarHBondContact O-N 3.48Å; Y873-G875 PolarHBondContact O-N 3.08Å; Y873-S876 CarbonylContact O-C 3.57Å; Y873-S876 WeakPolarHBondContact O-CA 3.36Å; Y873-S876 WeakPolarHBondContact O-CB 3.14Å; Y873-S876 PolarHBondContact O-N 3.4Å; Y873-I877 WeakPolarHBondContact O-CG1 3.39Å; Y873-I877 PolarHBondContact O-N 3.3Å; Y873-A1117 VanDerWaalsContact CE2-O 3.23Å; Y873-A1117 WeakPolarHBondContact CE2-O 3.21Å; Y873-A1117 PolarHBondContact OH-O 3.3Å; Y873-F1120 HydrophobicContact CD2-CB 4.2Å; Y873-F1120 AromaticContact CD2-CD1 3.43Å; Y873-F1120 HydrophobicContact CD2-CD1 3.43Å; Y873-F1120 VanDerWaalsContact CD2-CD1 3.43Å; Y873-F1120 HydrophobicContact CD2-CE1 4.08Å; Y873-F1120 AromaticContact CD2-CG 4Å; Y873-F1120 HydrophobicContact CD2-CG 4Å; Y873-F1120 HydrophobicContact CE2-CB 4.05Å; Y873-F1120 HydrophobicContact CE2-CD1 4.01Å; Y873-F1120 HydrophobicContact CE2-CG 4.34Å; Y873-F1120 AromaticContact CG-CD1 3.85Å; Y873-F1120 HydrophobicContact CG-CD1 3.85Å; Y873-F1120 HydrophobicContact CG-CE1 4.14Å
874	Y	84.4	Confident	79.9	Confident	2 Å²	2	19.6 Å²	19.6	1%	0.008	10%	0.098	C	C	.	.	H	α-helix	trans	-53.3	-48.3	-176.5	-166.6	-91	0	0	0	113	V870 F872 S876 I877 V878 L892 A893 P896 S1061 L1065	V870-Y874 HydrophobicContact CG1-CD2 4.41Å; V870-Y874 WeakPolarHBondContact O-CA 3.46Å; V870-Y874 VanDerWaalsContact O-CB 3.26Å; V870-Y874 WeakPolarHBondContact O-CB 3.37Å; V870-Y874 PolarHBondContact O-N 3.41Å; F872-Y874 VanDerWaalsContact C-N 3.31Å; F872-Y874 PolarHBondContact O-N 2.67Å; Y874-S876 PolarHBondContact O-N 3.32Å; Y874-I877 PolarHBondContact O-N 3.39Å; Y874-I877 VanDerWaalsContact O-N 3.16Å; Y874-V878 HydrophobicContact CD1-CG2 3.82Å; Y874-V878 HydrophobicContact CE1-CG2 3.4Å; Y874-V878 VanDerWaalsContact CE1-CG2 3.4Å; Y874-V878 WeakPolarHBondContact O-CG2 3.32Å; Y874-V878 PolarHBondContact O-N 3.31Å; Y874-L892 HydrophobicContact CE1-CB 4.33Å; Y874-L892 WeakPolarHBondContact CE1-O 3.28Å; Y874-A893 HydrophobicContact CD1-CB 4.41Å; Y874-P896 HydrophobicContact CD1-CG 3.87Å; Y874-P896 HydrophobicContact CD2-CG 3.46Å; Y874-P896 VanDerWaalsContact CD2-CG 3.46Å; Y874-P896 HydrophobicContact CE1-CG 4.12Å; Y874-P896 HydrophobicContact CE2-CG 3.73Å; Y874-P896 HydrophobicContact CG-CG 3.51Å; Y874-S1061 WeakPolarHBondContact CE2-OG 3.44Å; Y874-L1065 HydrophobicContact CD2-CD1 4.12Å; Y874-L1065 HydrophobicContact CE2-CD1 3.84Å
875	G	76.2	Confident	79.2	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-59.4	-34.7	175.9	0	0	0	0	0	113.2	S636 Y873 K879 T889	S636-G875 PolarHBondContact OG-N 2.91Å; Y873-G875 PolarHBondContact O-N 3.08Å; G875-K879 PolarHBondContact O-N 3.39Å; G875-T889 VanDerWaalsContact O-CG2 3.27Å; G875-T889 WeakPolarHBondContact O-CG2 3.11Å
876	S	77.7	Confident	78.4	Confident	43 Å²	43	26.4 Å²	26.4	30%	0.301	13%	0.126	S	C	.	.	H	α-helix	trans	-72.1	-41.2	174.3	-54.9	0	0	0	0	112.4	Y873 Y874 V878 K879 M880	Y873-S876 CarbonylContact O-C 3.57Å; Y873-S876 WeakPolarHBondContact O-CA 3.36Å; Y873-S876 WeakPolarHBondContact O-CB 3.14Å; Y873-S876 PolarHBondContact O-N 3.4Å; Y874-S876 PolarHBondContact O-N 3.32Å; S876-V878 VanDerWaalsContact C-N 3.31Å; S876-V878 PolarHBondContact O-N 3.09Å; S876-K879 PolarHBondContact O-N 3.44Å; S876-M880 WeakPolarHBondContact O-CB 3.47Å; S876-M880 WeakPolarHBondContact O-CG 3.38Å; S876-M880 PolarHBondContact O-N 3.32Å
877	I	82.4	Confident	77.9	Confident	3 Å²	3	27.8 Å²	27.8	2%	0.015	14%	0.135	C	C	.	.	H	α-helix	trans	-62.1	-41.2	176.9	-66.8	165.7	0	0	0	110.2	Y873 Y874 S881 M934 F1120	Y873-I877 WeakPolarHBondContact O-CG1 3.39Å; Y873-I877 PolarHBondContact O-N 3.3Å; Y874-I877 PolarHBondContact O-N 3.39Å; Y874-I877 VanDerWaalsContact O-N 3.16Å; I877-S881 PolarHBondContact O-N 3.4Å; I877-M934 HydrophobicContact CG2-CE 4.03Å; I877-F1120 HydrophobicContact CD1-CE1 4.36Å; I877-F1120 HydrophobicContact CD1-CZ 3.79Å; I877-F1120 HydrophobicContact CG1-CE1 4.22Å; I877-F1120 HydrophobicContact CG1-CZ 3.85Å
878	V	83.5	Confident	77.7	Confident	1 Å²	1	30.2 Å²	30.2	1%	0.006	15%	0.15	C	C	.	.	H	α-helix	trans	-65	-44.7	173.6	167.9	0	0	0	0	111.9	Y874 S876 S881 V883 T889 L892	Y874-V878 HydrophobicContact CD1-CG2 3.82Å; Y874-V878 HydrophobicContact CE1-CG2 3.4Å; Y874-V878 VanDerWaalsContact CE1-CG2 3.4Å; Y874-V878 WeakPolarHBondContact O-CG2 3.32Å; Y874-V878 PolarHBondContact O-N 3.31Å; S876-V878 VanDerWaalsContact C-N 3.31Å; S876-V878 PolarHBondContact O-N 3.09Å; V878-S881 PolarHBondContact O-N 3.44Å; V878-S881 PolarHBondContact O-OG 3.32Å; V878-S881 VanDerWaalsContact O-OG 3.07Å; V878-V883 HydrophobicContact CG1-CB 3.93Å; V878-V883 HydrophobicContact CG1-CG1 4.3Å; V878-V883 HydrophobicContact CG1-CG2 3.8Å; V878-T889 HydrophobicContact CB-CG2 4.41Å; V878-T889 HydrophobicContact CG1-CG2 4.07Å; V878-L892 HydrophobicContact CG1-CB 4.09Å; V878-L892 HydrophobicContact CG1-CD1 3.44Å; V878-L892 VanDerWaalsContact CG1-CD1 3.44Å; V878-L892 HydrophobicContact CG1-CG 4.4Å; V878-L892 HydrophobicContact CG2-CB 4.18Å; V878-L892 HydrophobicContact CG2-CD1 4.49Å
879	K	77.8	Confident	77.6	Confident	56 Å²	56	29.8 Å²	29.8	24%	0.243	15%	0.148	C	C	.	.	H	α-helix	trans	-62.1	-49.1	175.8	-171.1	168.6	-178.4	173.2	0	110.8	G875 S876 S881 G882 F1048	G875-K879 PolarHBondContact O-N 3.39Å; S876-K879 PolarHBondContact O-N 3.44Å; K879-S881 PolarHBondContact O-N 2.94Å; K879-S881 VanDerWaalsContact O-N 3.17Å; K879-G882 PolarHBondContact O-N 3.01Å; K879-F1048 HydrophobicContact CG-CD1 4.27Å; K879-F1048 WeakPolarHBondContact O-CB 3.27Å
880	M	79.2	Confident	77.3	Confident	35 Å²	35	29.8 Å²	29.8	17%	0.172	15%	0.148	C	C	.	.	H	α-helix	trans	-55.6	-30.8	176.3	-73.4	169.2	-175.7	0	0	113.4	S876 G882 L1121	S876-M880 WeakPolarHBondContact O-CB 3.47Å; S876-M880 WeakPolarHBondContact O-CG 3.38Å; S876-M880 PolarHBondContact O-N 3.32Å; M880-G882 PolarHBondContact O-N 3.49Å; M880-L1121 HydrophobicContact CE-CD1 3.7Å
881	S	80.1	Confident	77.3	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.007	16%	0.157	C	C	.	.	H	α-helix	trans	-70.8	-19.1	179.6	91.9	0	0	0	0	112.8	I877 V878 K879 S1054 V1058	I877-S881 PolarHBondContact O-N 3.4Å; V878-S881 PolarHBondContact O-N 3.44Å; V878-S881 PolarHBondContact O-OG 3.32Å; V878-S881 VanDerWaalsContact O-OG 3.07Å; K879-S881 PolarHBondContact O-N 2.94Å; K879-S881 VanDerWaalsContact O-N 3.17Å; S881-S1054 VanDerWaalsContact CB-O 3.23Å; S881-S1054 WeakPolarHBondContact CB-O 3.3Å; S881-S1054 WeakPolarHBondContact O-CA 3.44Å; S881-S1054 WeakPolarHBondContact O-CB 3.44Å; S881-S1054 PolarHBondContact O-OG 3.04Å; S881-S1054 PolarHBondContact OG-O 3.49Å; S881-V1058 WeakPolarHBondContact OG-CG2 3.31Å
882	G	72	Confident	77.5	Confident	9 Å²	9	33.6 Å²	33.6	9%	0.093	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	125.9	7.8	177.6	0	0	0	0	0	115.4	K879 M880 R884	K879-G882 PolarHBondContact O-N 3.01Å; M880-G882 PolarHBondContact O-N 3.49Å; G882-R884 PolarHBondContact O-N 3.07Å
883	V	73.8	Confident	77.2	Confident	32 Å²	32	33.5 Å²	33.5	19%	0.194	17%	0.167	C	C	.	.			trans	-78.4	107.1	-179.8	-178.8	0	0	0	0	110.3	V878 T888 L892	V878-V883 HydrophobicContact CG1-CB 3.93Å; V878-V883 HydrophobicContact CG1-CG1 4.3Å; V878-V883 HydrophobicContact CG1-CG2 3.8Å; V883-T888 HydrophobicContact CG1-CG2 3.79Å; V883-L892 HydrophobicContact CG1-CD1 4.4Å; V883-L892 HydrophobicContact CG2-CD1 4.18Å
884	R	67.7	Low	77.4	Confident	111 Å²	111	33 Å²	33	42%	0.419	17%	0.166	S	C	.	.			trans	-67.3	-44.4	-179	-67.9	-171.7	168.2	141.8	4.2	113.9	G882 D1045 F1048	G882-R884 PolarHBondContact O-N 3.07Å; R884-D1045 IonicContact CZ-OD1 3.16Å; R884-D1045 IonicContact CZ-OD2 3.47Å; R884-D1045 IonicContact NE-OD1 3.62Å; R884-D1045 PolarHBondContact NE-OD1 3.34Å; R884-D1045 IonicContact NE-OD2 3.07Å; R884-D1045 IonicContact NH2-OD1 3.66Å; R884-D1045 PolarHBondContact NH2-OD1 3.43Å; R884-D1045 IonicContact NH2-OD2 2.72Å; R884-D1045 PolarHBondContact NH2-OD2 3.38Å; R884-F1048 HydrophobicContact CB-CZ 4.47Å; R884-F1048 HydrophobicContact CG-CE2 3.67Å; R884-F1048 HydrophobicContact CG-CZ 3.68Å
885	D	70.8	Confident	77.3	Confident	70 Å²	70	35.1 Å²	35.1	37%	0.374	18%	0.178	S	C	.	.			trans	-78.3	130.6	-169.5	172.9	40.3	0	0	0	112.6	S887 T888 T889	D885-S887 PolarHBondContact OD1-N 3.31Å; D885-S887 VanDerWaalsContact OD1-N 3.08Å; D885-S887 PolarHBondContact OD2-N 3.01Å; D885-S887 PolarHBondContact OD2-OG 3.37Å; D885-T888 VanDerWaalsContact OD2-CB 3.31Å; D885-T888 WeakPolarHBondContact OD2-CB 3.37Å; D885-T888 PolarHBondContact OD2-N 2.97Å; D885-T888 PolarHBondContact OD2-OG1 2.97Å; D885-T889 WeakPolarHBondContact O-CB 3.2Å; D885-T889 PolarHBondContact O-N 3.07Å; D885-T889 PolarHBondContact O-OG1 2.89Å
886	R	68.4	Low	77.6	Confident	112 Å²	112	35.4 Å²	35.4	42%	0.423	18%	0.18	S	C	.	.	H	α-helix	trans	-64.1	-41.3	177.1	-171.1	-174.6	-60.2	-169.3	0.7	111.5	E644 T889 M890	E644-R886 IonicContact OE1-CZ 2.65Å; E644-R886 IonicContact OE1-NE 2.76Å; E644-R886 IonicContact OE1-NH1 3.8Å; E644-R886 IonicContact OE1-NH2 3.03Å; E644-R886 PolarHBondContact OE1-NH2 3.43Å; E644-R886 IonicContact OE2-CZ 2.67Å; E644-R886 IonicContact OE2-NH1 3.64Å; E644-R886 PolarHBondContact OE2-NH1 3Å; E644-R886 IonicContact OE2-NH2 3.43Å; E644-R886 PolarHBondContact OE2-NH2 3.47Å; R886-T889 PolarHBondContact O-N 3.49Å; R886-M890 HydrophobicContact CG-CE 3.94Å; R886-M890 WeakPolarHBondContact O-CG 3.33Å; R886-M890 PolarHBondContact O-N 2.66Å
887	S	72.3	Confident	77.8	Confident	29 Å²	29	33.6 Å²	33.6	20%	0.203	17%	0.167	C	C	.	.	H	α-helix	trans	-69.4	-41.9	-177.7	86.6	0	0	0	0	111.3	D885 T889 M890 W891	D885-S887 PolarHBondContact OD1-N 3.31Å; D885-S887 VanDerWaalsContact OD1-N 3.08Å; D885-S887 PolarHBondContact OD2-N 3.01Å; D885-S887 PolarHBondContact OD2-OG 3.37Å; S887-T889 PolarHBondContact O-N 2.75Å; S887-M890 PolarHBondContact O-N 3.37Å; S887-M890 VanDerWaalsContact O-N 3.16Å; S887-W891 PolarHBondContact O-N 3.08Å
888	T	78.3	Confident	77.9	Confident	60 Å²	60	36.7 Å²	36.7	37%	0.368	18%	0.183	S	C	.	.	H	α-helix	trans	-60.8	-42.9	172.9	-59.1	0	0	0	0	111	V883 D885 M890 W891 L892	V883-T888 HydrophobicContact CG1-CG2 3.79Å; D885-T888 VanDerWaalsContact OD2-CB 3.31Å; D885-T888 WeakPolarHBondContact OD2-CB 3.37Å; D885-T888 PolarHBondContact OD2-N 2.97Å; D885-T888 PolarHBondContact OD2-OG1 2.97Å; T888-M890 VanDerWaalsContact C-N 3.31Å; T888-M890 PolarHBondContact O-N 3.12Å; T888-W891 PolarHBondContact O-N 3.1Å; T888-L892 HydrophobicContact CG2-CD1 4.04Å; T888-L892 HydrophobicContact CG2-CG 4.45Å; T888-L892 WeakPolarHBondContact O-CB 3.42Å; T888-L892 VanDerWaalsContact O-CG 3.27Å; T888-L892 WeakPolarHBondContact O-CG 3.48Å; T888-L892 PolarHBondContact O-N 3.2Å
889	T	76.6	Confident	78	Confident	3 Å²	3	37.4 Å²	37.4	2%	0.018	19%	0.187	C	C	.	.	H	α-helix	trans	-59.6	-40.5	174.7	-57.6	0	0	0	0	111.8	L640 G875 V878 D885 R886 S887 A893	L640-T889 HydrophobicContact CD1-CG2 3.99Å; G875-T889 VanDerWaalsContact O-CG2 3.27Å; G875-T889 WeakPolarHBondContact O-CG2 3.11Å; V878-T889 HydrophobicContact CB-CG2 4.41Å; V878-T889 HydrophobicContact CG1-CG2 4.07Å; D885-T889 WeakPolarHBondContact O-CB 3.2Å; D885-T889 PolarHBondContact O-N 3.07Å; D885-T889 PolarHBondContact O-OG1 2.89Å; R886-T889 PolarHBondContact O-N 3.49Å; S887-T889 PolarHBondContact O-N 2.75Å; T889-A893 PolarHBondContact O-N 3.47Å; T889-A893 VanDerWaalsContact O-N 3.11Å
890	M	78.3	Confident	78.2	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-72.1	-37.4	177.5	-69.6	177.2	178.6	0	0	113	L640 I641 A761 S764 R886 S887 T888 A893	L640-M890 HydrophobicContact CB-CE 3.71Å; L640-M890 HydrophobicContact CD1-CE 3.74Å; L640-M890 HydrophobicContact CD1-CG 3.81Å; L640-M890 HydrophobicContact CG-CE 4.35Å; I641-M890 HydrophobicContact CD1-CE 4.19Å; I641-M890 HydrophobicContact CG1-CE 3.94Å; A761-M890 HydrophobicContact CB-CB 4.47Å; S764-M890 WeakPolarHBondContact CB-SD 3.21Å; R886-M890 HydrophobicContact CG-CE 3.94Å; R886-M890 WeakPolarHBondContact O-CG 3.33Å; R886-M890 PolarHBondContact O-N 2.66Å; S887-M890 PolarHBondContact O-N 3.37Å; S887-M890 VanDerWaalsContact O-N 3.16Å; T888-M890 VanDerWaalsContact C-N 3.31Å; T888-M890 PolarHBondContact O-N 3.12Å; M890-A893 WeakPolarHBondContact O-CB 3.19Å; M890-A893 PolarHBondContact O-N 3.35Å
891	W	83	Confident	78.3	Confident	54 Å²	54	35.6 Å²	35.6	21%	0.205	18%	0.181	C	C	.	.	H	α-helix	trans	-64.1	-42.6	171.6	-84.3	110.6	0	0	0	112.3	L386 A761 Y765 S887 T888 A893 S894	L386-W891 HydrophobicContact CD1-CH2 4.16Å; L386-W891 HydrophobicContact CD1-CZ2 4.42Å; A761-W891 HydrophobicContact CB-CD2 3.72Å; A761-W891 HydrophobicContact CB-CE3 3.96Å; A761-W891 HydrophobicContact CB-CG 4.08Å; A761-W891 HydrophobicContact CB-CZ2 4.3Å; A761-W891 HydrophobicContact CB-CZ3 4.35Å; Y765-W891 HydrophobicContact CE2-CZ2 4.41Å; Y765-W891 AromaticContact CE2-NE1 3.79Å; Y765-W891 AromaticContact CZ-NE1 3.77Å; Y765-W891 PolarHBondContact OH-NE1 3.38Å; S887-W891 PolarHBondContact O-N 3.08Å; T888-W891 PolarHBondContact O-N 3.1Å; W891-A893 PolarHBondContact O-N 2.9Å; W891-S894 WeakPolarHBondContact O-CB 3.4Å; W891-S894 PolarHBondContact O-N 3.16Å; W891-S894 PolarHBondContact O-OG 2.97Å
892	L	82.5	Confident	78.5	Confident	42 Å²	42	41.1 Å²	41.1	22%	0.22	21%	0.21	C	C	.	.	H	α-helix	trans	-61.5	-33.2	175	-69.8	171.3	0	0	0	111.3	Y874 V878 V883 T888 S894 L895	Y874-L892 HydrophobicContact CE1-CB 4.33Å; Y874-L892 WeakPolarHBondContact CE1-O 3.28Å; V878-L892 HydrophobicContact CG1-CB 4.09Å; V878-L892 HydrophobicContact CG1-CD1 3.44Å; V878-L892 VanDerWaalsContact CG1-CD1 3.44Å; V878-L892 HydrophobicContact CG1-CG 4.4Å; V878-L892 HydrophobicContact CG2-CB 4.18Å; V878-L892 HydrophobicContact CG2-CD1 4.49Å; V883-L892 HydrophobicContact CG1-CD1 4.4Å; V883-L892 HydrophobicContact CG2-CD1 4.18Å; T888-L892 HydrophobicContact CG2-CD1 4.04Å; T888-L892 HydrophobicContact CG2-CG 4.45Å; T888-L892 WeakPolarHBondContact O-CB 3.42Å; T888-L892 VanDerWaalsContact O-CG 3.27Å; T888-L892 WeakPolarHBondContact O-CG 3.48Å; T888-L892 PolarHBondContact O-N 3.2Å; L892-S894 PolarHBondContact O-N 3.05Å; L892-S894 VanDerWaalsContact O-N 3.08Å; L892-L895 HydrophobicContact CB-CD1 4.42Å; L892-L895 HydrophobicContact CD2-CD1 3.56Å; L892-L895 VanDerWaalsContact O-CB 3.28Å; L892-L895 WeakPolarHBondContact O-CB 3.39Å; L892-L895 WeakPolarHBondContact O-CG 3.32Å; L892-L895 PolarHBondContact O-N 3.25Å
893	A	77.1	Confident	78.5	Confident	18 Å²	18	40.7 Å²	40.7	15%	0.149	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-6.9	173.8	0	0	0	0	0	115.2	Y874 T889 M890 W891 P896	Y874-A893 HydrophobicContact CD1-CB 4.41Å; T889-A893 PolarHBondContact O-N 3.47Å; T889-A893 VanDerWaalsContact O-N 3.11Å; M890-A893 WeakPolarHBondContact O-CB 3.19Å; M890-A893 PolarHBondContact O-N 3.35Å; W891-A893 PolarHBondContact O-N 2.9Å; A893-P896 WeakPolarHBondContact O-CD 3.46Å
894	S	82.6	Confident	78.5	Confident	10 Å²	10	39.2 Å²	39.2	7%	0.07	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-23.8	167.7	73.4	0	0	0	0	113.8	W891 L892 G897 I898	W891-S894 WeakPolarHBondContact O-CB 3.4Å; W891-S894 PolarHBondContact O-N 3.16Å; W891-S894 PolarHBondContact O-OG 2.97Å; L892-S894 PolarHBondContact O-N 3.05Å; L892-S894 VanDerWaalsContact O-N 3.08Å; S894-G897 PolarHBondContact O-N 3.11Å; S894-I898 PolarHBondContact O-N 3.47Å; S894-I898 VanDerWaalsContact O-N 3.16Å
895	L	83.3	Confident	78.9	Confident	48 Å²	48	36.3 Å²	36.3	25%	0.251	20%	0.196	S	C	.	.	H	α-helix	trans	-57.5	-42	-175.5	-65.4	171.3	0	0	0	113.9	L892 G897 I898 I899 L1062	L892-L895 HydrophobicContact CB-CD1 4.42Å; L892-L895 HydrophobicContact CD2-CD1 3.56Å; L892-L895 VanDerWaalsContact O-CB 3.28Å; L892-L895 WeakPolarHBondContact O-CB 3.39Å; L892-L895 WeakPolarHBondContact O-CG 3.32Å; L892-L895 PolarHBondContact O-N 3.25Å; L895-G897 VanDerWaalsContact C-N 3.27Å; L895-G897 PolarHBondContact O-N 2.84Å; L895-I898 HydrophobicContact CD2-CD1 4.5Å; L895-I898 PolarHBondContact O-N 2.94Å; L895-I899 WeakPolarHBondContact O-CG1 3.31Å; L895-I899 PolarHBondContact O-N 3.46Å; L895-L1062 HydrophobicContact CB-CD2 3.96Å; L895-L1062 HydrophobicContact CD1-CD2 3.98Å; L895-L1062 HydrophobicContact CG-CD2 4.48Å
896	P	81.8	Confident	79	Confident	6 Å²	6	34.1 Å²	34.1	4%	0.039	19%	0.188	C	C	.	.	H	α-helix	trans	-61.9	-34	176.5	-22	33.8	0	0	0	113.2	M871 Y874 A893 S900 L1065	M871-P896 HydrophobicContact CE-CB 4.46Å; M871-P896 HydrophobicContact SD-CB 3.58Å; M871-P896 VanDerWaalsContact SD-CB 3.58Å; Y874-P896 HydrophobicContact CD1-CG 3.87Å; Y874-P896 HydrophobicContact CD2-CG 3.46Å; Y874-P896 VanDerWaalsContact CD2-CG 3.46Å; Y874-P896 HydrophobicContact CE1-CG 4.12Å; Y874-P896 HydrophobicContact CE2-CG 3.73Å; Y874-P896 HydrophobicContact CG-CG 3.51Å; A893-P896 WeakPolarHBondContact O-CD 3.46Å; P896-S900 WeakPolarHBondContact O-CB 3.45Å; P896-S900 PolarHBondContact O-N 3.33Å; P896-S900 PolarHBondContact O-OG 3.49Å; P896-L1065 HydrophobicContact CB-CD1 3.83Å; P896-L1065 HydrophobicContact CG-CD1 3.84Å
897	G	82.3	Confident	79.1	Confident	4 Å²	4	28.9 Å²	28.9	4%	0.041	17%	0.169	C	C	.	.	H	α-helix	trans	-69	-42.2	175.7	0	0	0	0	0	112.7	S894 L895 S900 L901	S894-G897 PolarHBondContact O-N 3.11Å; L895-G897 VanDerWaalsContact C-N 3.27Å; L895-G897 PolarHBondContact O-N 2.84Å; G897-S900 PolarHBondContact O-N 3.29Å; G897-L901 WeakPolarHBondContact O-CB 3.27Å; G897-L901 PolarHBondContact O-N 3.35Å
898	I	85.6	Confident	79.1	Confident	68 Å²	68	28.7 Å²	28.7	35%	0.349	17%	0.167	S	C	.	.	H	α-helix	trans	-60.5	-51.2	175.7	-61.9	174.3	0	0	0	110.1	L754 S894 L895 S900 L901 L902	L754-I898 HydrophobicContact CD1-CD1 4.46Å; L754-I898 HydrophobicContact CD1-CG1 3.47Å; L754-I898 VanDerWaalsContact CD1-CG1 3.47Å; S894-I898 PolarHBondContact O-N 3.47Å; S894-I898 VanDerWaalsContact O-N 3.16Å; L895-I898 HydrophobicContact CD2-CD1 4.5Å; L895-I898 PolarHBondContact O-N 2.94Å; I898-S900 VanDerWaalsContact C-N 3.34Å; I898-S900 PolarHBondContact O-N 3.11Å; I898-L901 PolarHBondContact O-N 3.31Å; I898-L902 HydrophobicContact CG2-CD1 4.05Å; I898-L902 WeakPolarHBondContact O-CG 3.47Å; I898-L902 PolarHBondContact O-N 3.01Å; I898-L902 VanDerWaalsContact O-N 3.08Å
899	I	84.4	Confident	79	Confident	17 Å²	17	30.3 Å²	30.3	9%	0.087	17%	0.166	C	C	.	.	H	α-helix	trans	-61.8	-43.6	-179.4	-69.3	170.8	0	0	0	110.8	L895 L901 G903 L1062 L1065 C1066 F1081	L895-I899 WeakPolarHBondContact O-CG1 3.31Å; L895-I899 PolarHBondContact O-N 3.46Å; I899-L901 VanDerWaalsContact C-N 3.28Å; I899-L901 PolarHBondContact O-N 2.98Å; I899-G903 VanDerWaalsContact O-CA 3.25Å; I899-G903 WeakPolarHBondContact O-CA 3.45Å; I899-G903 PolarHBondContact O-N 3.02Å; I899-G903 VanDerWaalsContact O-N 3.09Å; I899-L1062 HydrophobicContact CD1-CB 4.27Å; I899-L1062 HydrophobicContact CD1-CD2 3.5Å; I899-L1062 HydrophobicContact CD1-CG 4.48Å; I899-L1065 HydrophobicContact CD1-CB 4.25Å; I899-L1065 VanDerWaalsContact CG2-C 3.45Å; I899-L1065 HydrophobicContact CG2-CB 3.94Å; I899-L1065 WeakPolarHBondContact CG2-O 3.27Å; I899-C1066 HydrophobicContact CG2-CB 4.32Å; I899-F1081 HydrophobicContact CG2-CE1 3.8Å; I899-F1081 HydrophobicContact CG2-CZ 4.19Å; I899-F1081 WeakPolarHBondContact O-CE1 3.27Å
900	S	81.2	Confident	78.7	Confident	7 Å²	7	30.3 Å²	30.3	5%	0.049	17%	0.166	C	C	.	.	H	α-helix	trans	-70.2	-21.1	179.5	-57.9	0	0	0	0	113.8	S750 Q753 M871 P896 G897 I898 G903 G904	S750-S900 VanDerWaalsContact CB-C 3.48Å; S750-S900 WeakPolarHBondContact CB-O 3.11Å; S750-S900 PolarHBondContact OG-O 3.38Å; Q753-S900 VanDerWaalsContact OE1-CB 3.28Å; M871-S900 WeakPolarHBondContact CE-OG 3.5Å; P896-S900 WeakPolarHBondContact O-CB 3.45Å; P896-S900 PolarHBondContact O-N 3.33Å; P896-S900 PolarHBondContact O-OG 3.49Å; G897-S900 PolarHBondContact O-N 3.29Å; I898-S900 VanDerWaalsContact C-N 3.34Å; I898-S900 PolarHBondContact O-N 3.11Å; S900-G903 CarbonylContact O-C 3.58Å; S900-G903 WeakPolarHBondContact O-CA 3.42Å; S900-G904 PolarHBondContact O-N 3.35Å
901	L	82.9	Confident	78.5	Confident	45 Å²	45	30.2 Å²	30.2	24%	0.236	17%	0.166	C	C	.	.	H	α-helix	trans	-83.7	-45	175.5	178.1	60.4	0	0	0	113.3	L747 I751 L754 G897 I898 I899 G903 G904 A905	L747-L901 HydrophobicContact CD1-CD1 3.68Å; I751-L901 HydrophobicContact CD1-CD1 4.49Å; I751-L901 HydrophobicContact CG1-CD1 3.54Å; L754-L901 HydrophobicContact CD2-CD2 3.52Å; G897-L901 WeakPolarHBondContact O-CB 3.27Å; G897-L901 PolarHBondContact O-N 3.35Å; I898-L901 PolarHBondContact O-N 3.31Å; I899-L901 VanDerWaalsContact C-N 3.28Å; I899-L901 PolarHBondContact O-N 2.98Å; L901-G903 CarbonylContact O-C 3.6Å; L901-G903 VanDerWaalsContact O-CA 3.25Å; L901-G903 WeakPolarHBondContact O-CA 3.49Å; L901-G904 PolarHBondContact O-N 2.93Å; L901-A905 PolarHBondContact O-N 2.96Å
902	L	82.9	Confident	78.1	Confident	117 Å²	117	29.6 Å²	29.6	61%	0.613	17%	0.165	S	C	*	.	H	α-helix	trans	-61	-44.4	174.2	-66.8	175.4	0	0	0	112.2	I898 F1081	I898-L902 HydrophobicContact CG2-CD1 4.05Å; I898-L902 WeakPolarHBondContact O-CG 3.47Å; I898-L902 PolarHBondContact O-N 3.01Å; I898-L902 VanDerWaalsContact O-N 3.08Å; L902-F1081 HydrophobicContact CB-CE2 4.37Å
903	G	73.4	Confident	77.7	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.164	C	C	.	.	H	α-helix		46.2	-157	95.6	0	0	0	0	0	119.7	I899 S900 L901 A905 A906 F1081	I899-G903 VanDerWaalsContact O-CA 3.25Å; I899-G903 WeakPolarHBondContact O-CA 3.45Å; I899-G903 PolarHBondContact O-N 3.02Å; I899-G903 VanDerWaalsContact O-N 3.09Å; S900-G903 CarbonylContact O-C 3.58Å; S900-G903 WeakPolarHBondContact O-CA 3.42Å; L901-G903 CarbonylContact O-C 3.6Å; L901-G903 VanDerWaalsContact O-CA 3.25Å; L901-G903 WeakPolarHBondContact O-CA 3.49Å; G903-A905 CarbonylContact O-C 3.53Å; G903-A905 PolarHBondContact O-N 3.26Å; G903-A906 PolarHBondContact O-N 3.46Å; G903-F1081 CarbonylContact C-O 3.6Å; G903-F1081 VanDerWaalsContact N-CE2 3.32Å; G903-F1081 WeakPolarHBondContact O-CB 3.48Å
904	G	73.8	Confident	77.5	Confident	2 Å²	2	30 Å²	30	2%	0.021	16%	0.164	C	C	.	.	H	α-helix	trans	-45.8	-26.8	-170.9	0	0	0	0	0	115.5	S900 L901 A906 S907 T908 F1081	S900-G904 PolarHBondContact O-N 3.35Å; L901-G904 PolarHBondContact O-N 2.93Å; G904-A906 VanDerWaalsContact C-N 3.33Å; G904-A906 PolarHBondContact O-N 2.67Å; G904-S907 PolarHBondContact O-N 3.5Å; G904-T908 WeakPolarHBondContact O-CB 3.41Å; G904-T908 PolarHBondContact O-N 3.05Å; G904-T908 VanDerWaalsContact O-N 3.12Å; G904-T908 PolarHBondContact O-OG1 2.96Å; G904-F1081 WeakPolarHBondContact CA-O 3.38Å
905	A	76.6	Confident	76.9	Confident	49 Å²	49	29.6 Å²	29.6	41%	0.405	16%	0.163	S	C	.	.	H	α-helix	trans	-55.6	-43	173.2	0	0	0	0	0	112.6	L747 L901 G903 Y909	L747-A905 HydrophobicContact CD1-CB 4.2Å; L901-A905 PolarHBondContact O-N 2.96Å; G903-A905 CarbonylContact O-C 3.53Å; G903-A905 PolarHBondContact O-N 3.26Å; A905-Y909 PolarHBondContact O-N 2.94Å
906	A	72.2	Confident	76.7	Confident	25 Å²	25	27.4 Å²	27.4	21%	0.207	15%	0.151	C	C	.	.	H	α-helix	trans	-71.2	-47.9	177.9	0	0	0	0	0	112.4	G903 G904 T908 Y909 L910 F1081	G903-A906 PolarHBondContact O-N 3.46Å; G904-A906 VanDerWaalsContact C-N 3.33Å; G904-A906 PolarHBondContact O-N 2.67Å; A906-T908 VanDerWaalsContact C-N 3.26Å; A906-T908 PolarHBondContact O-N 2.89Å; A906-Y909 WeakPolarHBondContact O-CB 3.42Å; A906-Y909 PolarHBondContact O-N 3.46Å; A906-L910 HydrophobicContact CB-CD1 4.19Å; A906-L910 WeakPolarHBondContact O-CB 3.32Å; A906-L910 WeakPolarHBondContact O-CD1 3.46Å; A906-L910 WeakPolarHBondContact O-CG 3.4Å; A906-L910 PolarHBondContact O-N 3.22Å; A906-F1081 HydrophobicContact CB-CB 4.02Å; A906-F1081 HydrophobicContact CB-CD2 4.32Å
907	S	69.6	Low	76.8	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.007	15%	0.153	C	C	.	.	H	α-helix	trans	-58	-40.8	177.9	175.9	0	0	0	0	111.7	G904 Y909 L910 I911 F1081	G904-S907 PolarHBondContact O-N 3.5Å; S907-Y909 PolarHBondContact O-N 3.38Å; S907-L910 CarbonylContact O-C 3.58Å; S907-L910 PolarHBondContact O-N 2.8Å; S907-I911 PolarHBondContact O-N 2.91Å; S907-F1081 VanDerWaalsContact CA-O 3.26Å; S907-F1081 WeakPolarHBondContact CA-O 3.18Å; S907-F1081 WeakPolarHBondContact CB-O 3.14Å; S907-F1081 PolarHBondContact N-O 3.02Å
908	T	73.7	Confident	76.6	Confident	26 Å²	26	31.4 Å²	31.4	16%	0.16	17%	0.169	C	C	.	.	H	α-helix	trans	-55.8	-38.8	177.9	-59.5	0	0	0	0	111.9	T743 L744 G904 A906 L910	T743-T908 PolarHBondContact O-OG1 2.89Å; T743-T908 WeakPolarHBondContact OG1-CA 3.41Å; T743-T908 PolarHBondContact OG1-OG1 3.46Å; L744-T908 HydrophobicContact CD2-CG2 3.77Å; L744-T908 HydrophobicContact CG-CG2 4.45Å; G904-T908 WeakPolarHBondContact O-CB 3.41Å; G904-T908 PolarHBondContact O-N 3.05Å; G904-T908 VanDerWaalsContact O-N 3.12Å; G904-T908 PolarHBondContact O-OG1 2.96Å; A906-T908 VanDerWaalsContact C-N 3.26Å; A906-T908 PolarHBondContact O-N 2.89Å; T908-L910 VanDerWaalsContact C-N 3.28Å; T908-L910 PolarHBondContact O-N 3.03Å
909	Y	75.8	Confident	76.3	Confident	93 Å²	93	28.5 Å²	28.5	37%	0.365	15%	0.154	S	C	.	.	H	α-helix	trans	-73.1	-15.8	176.4	-179.7	-115.9	0	0	0	114.7	L356 A905 A906 S907 K913	L356-Y909 HydrophobicContact CD2-CE2 3.95Å; A905-Y909 PolarHBondContact O-N 2.94Å; A906-Y909 WeakPolarHBondContact O-CB 3.42Å; A906-Y909 PolarHBondContact O-N 3.46Å; S907-Y909 PolarHBondContact O-N 3.38Å; Y909-K913 VanDerWaalsContact CE1-NZ 3.29Å; Y909-K913 PolarHBondContact OH-NZ 3.34Å
910	L	69.8	Low	76.1	Confident	3 Å²	3	28.3 Å²	28.3	2%	0.016	15%	0.153	C	C	.	.	H	α-helix	trans	-121.4	-22.4	-162.3	-64	168.6	0	0	0	114.7	A906 S907 T908 E912 K913 C914 L919 K1078	A906-L910 HydrophobicContact CB-CD1 4.19Å; A906-L910 WeakPolarHBondContact O-CB 3.32Å; A906-L910 WeakPolarHBondContact O-CD1 3.46Å; A906-L910 WeakPolarHBondContact O-CG 3.4Å; A906-L910 PolarHBondContact O-N 3.22Å; S907-L910 CarbonylContact O-C 3.58Å; S907-L910 PolarHBondContact O-N 2.8Å; T908-L910 VanDerWaalsContact C-N 3.28Å; T908-L910 PolarHBondContact O-N 3.03Å; L910-E912 PolarHBondContact O-N 3.04Å; L910-K913 CarbonylContact O-C 3.55Å; L910-K913 WeakPolarHBondContact O-CA 3.28Å; L910-K913 PolarHBondContact O-N 2.92Å; L910-C914 WeakPolarHBondContact O-CB 3.05Å; L910-C914 PolarHBondContact O-N 3.38Å; L910-L919 HydrophobicContact CB-CD1 4.3Å; L910-K1078 HydrophobicContact CD2-CB 3.88Å; L910-K1078 VanDerWaalsContact CD2-O 3.26Å; L910-K1078 WeakPolarHBondContact CD2-O 3.35Å
911	I	74.6	Confident	76.1	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-56.6	-38.6	179.3	-168.5	166.7	0	0	0	111.7	T743 S907 K913 R916 L919 V1084 A1087	T743-I911 HydrophobicContact CG2-CD1 3.62Å; T743-I911 HydrophobicContact CG2-CG2 4.41Å; S907-I911 PolarHBondContact O-N 2.91Å; I911-K913 VanDerWaalsContact C-N 3.33Å; I911-K913 PolarHBondContact O-N 3.13Å; I911-R916 HydrophobicContact CD1-CG 4.18Å; I911-R916 HydrophobicContact CG1-CG 3.98Å; I911-R916 PolarHBondContact O-NH1 2.83Å; I911-L919 HydrophobicContact CB-CD2 4.32Å; I911-V1084 HydrophobicContact CD1-CG1 4.17Å; I911-V1084 HydrophobicContact CG1-CG1 4.46Å; I911-A1087 HydrophobicContact CD1-CB 3.47Å; I911-A1087 VanDerWaalsContact CD1-CB 3.47Å
912	E	75	Confident	76	Confident	40 Å²	40	32 Å²	32	19%	0.187	17%	0.165	C	C	.	.	H	α-helix	trans	-79.6	-10	174.7	-52.4	-55.1	163.8	0	0	114.1	G739 A740 L910 R916 K1155	G739-E912 WeakPolarHBondContact CA-OE1 3.14Å; G739-E912 PolarHBondContact N-OE1 3.26Å; A740-E912 HydrophobicContact CB-CG 4Å; A740-E912 PolarHBondContact N-OE1 3.36Å; L910-E912 PolarHBondContact O-N 3.04Å; E912-R916 IonicContact OE1-CZ 3.02Å; E912-R916 IonicContact OE1-NH1 3.23Å; E912-R916 IonicContact OE1-NH2 3.99Å; E912-R916 PolarHBondContact OE1-NH2 3.01Å; E912-R916 IonicContact OE2-CZ 2.8Å; E912-R916 IonicContact OE2-NH1 2.72Å; E912-R916 PolarHBondContact OE2-NH1 2.81Å; E912-R916 IonicContact OE2-NH2 3.97Å; E912-R916 PolarHBondContact OE2-NH2 3.31Å; E912-R916 VanDerWaalsContact OE2-NH2 3.16Å; E912-K1155 WeakPolarHBondContact O-CD 3.41Å; E912-K1155 WeakPolarHBondContact O-CE 3.01Å; E912-K1155 PolarHBondContact O-NZ 2.87Å
913	K	74.4	Confident	75.9	Confident	45 Å²	45	27.4 Å²	27.4	20%	0.196	14%	0.143	C	C	.	.	H	α-helix	trans	-101.2	-46.2	179.9	-65.1	-173.6	-176.2	176.5	0	113.2	Y909 L910 I911 K1078 I1189	Y909-K913 VanDerWaalsContact CE1-NZ 3.29Å; Y909-K913 PolarHBondContact OH-NZ 3.34Å; L910-K913 CarbonylContact O-C 3.55Å; L910-K913 WeakPolarHBondContact O-CA 3.28Å; L910-K913 PolarHBondContact O-N 2.92Å; I911-K913 VanDerWaalsContact C-N 3.33Å; I911-K913 PolarHBondContact O-N 3.13Å; K913-K1078 HydrophobicContact CD-CD 4.43Å; K913-I1189 HydrophobicContact CB-CD1 3.99Å; K913-I1189 HydrophobicContact CD-CD1 3.9Å; K913-I1189 HydrophobicContact CG-CD1 3.85Å
914	C	71.2	Confident	76.3	Confident	23 Å²	23	28.2 Å²	28.2	16%	0.155	15%	0.15	C	C	.	.	H	α-helix	trans	-85.1	-18.4	-171	-156.7	0	0	0	0	113.3	L910 N918 L919	L910-C914 WeakPolarHBondContact O-CB 3.05Å; L910-C914 PolarHBondContact O-N 3.38Å; C914-N918 PolarHBondContact O-ND2 3Å; C914-L919 HydrophobicContact CB-CD1 3.77Å
915	G	71	Confident	76.7	Confident	3 Å²	3	29.7 Å²	29.7	3%	0.031	17%	0.165	C	C	.	.			trans	76.8	159.3	-157	0	0	0	0	0	111.1	E1153	G915-E1153 VanDerWaalsContact C-OE2 3.3Å; G915-E1153 WeakPolarHBondContact CA-OE1 3.35Å; G915-E1153 WeakPolarHBondContact CA-OE2 3.47Å
916	R	79.3	Confident	77	Confident	2 Å²	2	27.5 Å²	27.5	1%	0.008	15%	0.147	C	C	.	.	H	α-helix	trans	-74.1	-43.8	-179.7	-73.8	69.2	168	142.9	-3.5	110.6	I911 E912 L919 V1084 V1088 E1091 E1153 T1154	I911-R916 HydrophobicContact CD1-CG 4.18Å; I911-R916 HydrophobicContact CG1-CG 3.98Å; I911-R916 PolarHBondContact O-NH1 2.83Å; E912-R916 IonicContact OE1-CZ 3.02Å; E912-R916 IonicContact OE1-NH1 3.23Å; E912-R916 IonicContact OE1-NH2 3.99Å; E912-R916 PolarHBondContact OE1-NH2 3.01Å; E912-R916 IonicContact OE2-CZ 2.8Å; E912-R916 IonicContact OE2-NH1 2.72Å; E912-R916 PolarHBondContact OE2-NH1 2.81Å; E912-R916 IonicContact OE2-NH2 3.97Å; E912-R916 PolarHBondContact OE2-NH2 3.31Å; E912-R916 VanDerWaalsContact OE2-NH2 3.16Å; R916-L919 PolarHBondContact O-N 3.17Å; R916-V1084 HydrophobicContact CB-CG1 3.91Å; R916-V1084 HydrophobicContact CG-CG1 4.05Å; R916-V1088 HydrophobicContact CB-CG2 3.59Å; R916-V1088 HydrophobicContact CG-CG2 3.8Å; R916-E1091 IonicContact CZ-OE1 2.84Å; R916-E1091 IonicContact CZ-OE2 3.32Å; R916-E1091 IonicContact NE-OE1 3.71Å; R916-E1091 PolarHBondContact NE-OE1 3.04Å; R916-E1091 IonicContact NE-OE2 2.73Å; R916-E1091 PolarHBondContact NE-OE2 2.82Å; R916-E1091 IonicContact NH2-OE1 3.38Å; R916-E1091 PolarHBondContact NH2-OE1 3.38Å; R916-E1091 IonicContact NH2-OE2 3.1Å; R916-E1153 WeakPolarHBondContact CD-OE1 3.39Å; R916-E1153 VanDerWaalsContact N-CD 3.3Å; R916-E1153 PolarHBondContact N-OE1 3.15Å; R916-E1153 PolarHBondContact N-OE2 3.1Å; R916-T1154 VanDerWaalsContact CD-OG1 3.25Å; R916-T1154 WeakPolarHBondContact CD-OG1 3.06Å; R916-T1154 WeakPolarHBondContact CG-OG1 3.45Å; R916-T1154 PolarHBondContact NE-OG1 2.69Å
917	R	82.7	Confident	77.7	Confident	24 Å²	24	26.4 Å²	26.4	9%	0.091	14%	0.138	C	C	.	.	H	α-helix	trans	-59	-54.7	-174.9	-179.8	-166.8	-176.9	-158.2	3.2	112.1	L919 I920 L921 Y1148 L1151 E1153	R917-L919 PolarHBondContact O-N 2.98Å; R917-I920 PolarHBondContact O-N 2.96Å; R917-L921 PolarHBondContact O-N 2.99Å; R917-Y1148 PolarHBondContact NH2-O 3.15Å; R917-L1151 HydrophobicContact CB-CD2 4.18Å; R917-L1151 HydrophobicContact CB-CG 4.14Å; R917-L1151 WeakPolarHBondContact CD-O 3.3Å; R917-L1151 HydrophobicContact CG-CB 4.12Å; R917-L1151 HydrophobicContact CG-CD2 4.06Å; R917-L1151 HydrophobicContact CG-CG 4Å; R917-L1151 WeakPolarHBondContact CG-O 3.5Å; R917-L1151 PolarHBondContact NE-O 3.3Å; R917-E1153 PolarHBondContact N-OE2 2.68Å
918	N	79.4	Confident	78.5	Confident	70 Å²	70	27.1 Å²	27.1	37%	0.374	14%	0.142	S	C	.	.	H	α-helix	trans	-56.7	-43.1	-178.9	-67.9	-37	0	0	0	110.6	C914 I920 L921	C914-N918 PolarHBondContact O-ND2 3Å; N918-I920 VanDerWaalsContact C-N 3.25Å; N918-I920 PolarHBondContact O-N 3.42Å; N918-L921 PolarHBondContact O-N 3.42Å
919	L	78.2	Confident	79.2	Confident	6 Å²	6	29.7 Å²	29.7	3%	0.031	16%	0.158	C	C	.	.	H	α-helix	trans	-60.4	-33.6	-173.1	-149.7	64.3	0	0	0	113	L910 I911 C914 R916 R917 R1080 V1084	L910-L919 HydrophobicContact CB-CD1 4.3Å; I911-L919 HydrophobicContact CB-CD2 4.32Å; C914-L919 HydrophobicContact CB-CD1 3.77Å; R916-L919 PolarHBondContact O-N 3.17Å; R917-L919 PolarHBondContact O-N 2.98Å; L919-R1080 HydrophobicContact CD1-CB 4.4Å; L919-R1080 HydrophobicContact CD1-CG 3.25Å; L919-R1080 HydrophobicContact CG-CG 4.09Å; L919-V1084 HydrophobicContact CB-CG1 4.39Å; L919-V1084 HydrophobicContact CB-CG2 4.09Å; L919-V1084 HydrophobicContact CD2-CG1 4.4Å; L919-V1084 HydrophobicContact CD2-CG2 3.48Å; L919-V1084 VanDerWaalsContact CD2-CG2 3.48Å; L919-V1084 HydrophobicContact CG-CG2 3.87Å
920	I	80.5	Confident	79.8	Confident	14 Å²	14	25.2 Å²	25.2	7%	0.072	14%	0.14	C	C	.	.	H	α-helix	trans	-75.9	-36.8	179	-71.6	162.4	0	0	0	112.9	V858 R917 N918 W922 S923 A924 V1084 V1088 M1147 L1151	V858-I920 HydrophobicContact CG1-CD1 4.02Å; R917-I920 PolarHBondContact O-N 2.96Å; N918-I920 VanDerWaalsContact C-N 3.25Å; N918-I920 PolarHBondContact O-N 3.42Å; I920-W922 PolarHBondContact O-N 3.01Å; I920-S923 PolarHBondContact O-N 3.45Å; I920-S923 PolarHBondContact O-OG 3.38Å; I920-A924 PolarHBondContact O-N 3.03Å; I920-V1084 HydrophobicContact CD1-CB 4.14Å; I920-V1084 HydrophobicContact CD1-CG1 3.94Å; I920-V1084 HydrophobicContact CG1-CB 3.93Å; I920-V1084 HydrophobicContact CG1-CG1 4.04Å; I920-V1088 HydrophobicContact CD1-CG2 4.29Å; I920-M1147 HydrophobicContact CG2-CG 4.29Å; I920-L1151 HydrophobicContact CB-CD2 4.38Å; I920-L1151 HydrophobicContact CD1-CD2 3.87Å; I920-L1151 HydrophobicContact CG2-CD2 4.46Å
921	L	81.9	Confident	80.8	Confident	34 Å²	34	25.1 Å²	25.1	18%	0.178	14%	0.14	C	C	.	.	H	α-helix	trans	-64.4	-41.3	-177	-66.6	173.3	0	0	0	112.4	R917 N918 S923 G925 M1147 Y1148	R917-L921 PolarHBondContact O-N 2.99Å; N918-L921 PolarHBondContact O-N 3.42Å; L921-S923 VanDerWaalsContact C-N 3.31Å; L921-S923 PolarHBondContact O-N 2.98Å; L921-G925 PolarHBondContact O-N 3.31Å; L921-M1147 HydrophobicContact CD2-CB 3.71Å; L921-Y1148 HydrophobicContact CD1-CD2 3.96Å
922	W	79.5	Confident	81.6	Confident	95 Å²	95	28.7 Å²	28.7	36%	0.36	16%	0.158	S	C	.	.	H	α-helix	trans	-71	-25.5	178.6	-64.5	95.2	0	0	0	112.8	I920 G926 G1071 M1072 I1073 R1080	I920-W922 PolarHBondContact O-N 3.01Å; W922-G926 PolarHBondContact O-N 2.94Å; W922-G1071 CarbonylContact O-C 3.51Å; W922-G1071 WeakPolarHBondContact O-CA 3.29Å; W922-M1072 PolarHBondContact O-N 3.27Å; W922-M1072 VanDerWaalsContact O-N 3.12Å; W922-I1073 VanDerWaalsContact CZ3-O 3.24Å; W922-I1073 WeakPolarHBondContact CZ3-O 3.38Å; W922-R1080 VanDerWaalsContact CE2-NH2 3.29Å
923	S	81.3	Confident	82.4	Confident	21 Å²	21	29.5 Å²	29.5	15%	0.147	16%	0.163	C	C	.	.	H	α-helix	trans	-74.6	-39.9	179.1	54.6	0	0	0	0	111.8	I920 L921 S927 V1070	I920-S923 PolarHBondContact O-N 3.45Å; I920-S923 PolarHBondContact O-OG 3.38Å; L921-S923 VanDerWaalsContact C-N 3.31Å; L921-S923 PolarHBondContact O-N 2.98Å; S923-S927 WeakPolarHBondContact O-CB 3.5Å; S923-S927 PolarHBondContact O-N 2.83Å; S923-S927 PolarHBondContact O-OG 3.44Å; S923-V1070 WeakPolarHBondContact CA-O 3.48Å; S923-V1070 WeakPolarHBondContact CB-O 3.34Å
924	A	81.5	Confident	83.2	Confident	17 Å²	17	27.3 Å²	27.3	14%	0.14	15%	0.154	C	C	.	.	H	α-helix	trans	-64.8	-46.2	174.2	0	0	0	0	0	111.4	I920 G926 S927 T928 S1140 S1144	I920-A924 PolarHBondContact O-N 3.03Å; A924-G926 PolarHBondContact O-N 3.41Å; A924-S927 PolarHBondContact O-N 3.32Å; A924-T928 PolarHBondContact O-N 2.8Å; A924-T928 PolarHBondContact O-OG1 3.07Å; A924-S1140 PolarHBondContact O-OG 3.21Å; A924-S1144 WeakPolarHBondContact CB-OG 3.37Å
925	G	82.5	Confident	84.1	Confident	33 Å²	33	26.2 Å²	26.2	34%	0.34	15%	0.146	S	C	.	.	H	α-helix	trans	-60.1	-43.4	178.5	0	0	0	0	0	114.3	L921	L921-G925 PolarHBondContact O-N 3.31Å
926	G	83.7	Confident	85	Confident	3 Å²	3	29.3 Å²	29.3	3%	0.031	16%	0.164	C	C	.	.	H	α-helix	trans	-70.2	-36.4	177	0	0	0	0	0	113.7	W922 A924 T928 V929 G930 A1067	W922-G926 PolarHBondContact O-N 2.94Å; A924-G926 PolarHBondContact O-N 3.41Å; G926-T928 VanDerWaalsContact C-N 3.29Å; G926-T928 PolarHBondContact O-N 2.94Å; G926-V929 PolarHBondContact O-N 3.09Å; G926-V929 VanDerWaalsContact O-N 3.14Å; G926-G930 PolarHBondContact O-N 3.34Å; G926-A1067 WeakPolarHBondContact O-CB 3.12Å
927	S	85.7	Confident	85.5	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.007	16%	0.164	C	C	.	.	H	α-helix	trans	-58	-42.5	178.4	-61.3	0	0	0	0	111.8	S923 A924 V929 G930 L931 A1067 F1068	S923-S927 WeakPolarHBondContact O-CB 3.5Å; S923-S927 PolarHBondContact O-N 2.83Å; S923-S927 PolarHBondContact O-OG 3.44Å; A924-S927 PolarHBondContact O-N 3.32Å; S927-V929 VanDerWaalsContact C-N 3.27Å; S927-V929 PolarHBondContact O-N 2.88Å; S927-G930 PolarHBondContact O-N 3.41Å; S927-L931 WeakPolarHBondContact O-CG 3.23Å; S927-L931 PolarHBondContact O-N 3.16Å; S927-A1067 PolarHBondContact OG-O 3.46Å; S927-F1068 WeakPolarHBondContact OG-CA 3.35Å; S927-F1068 PolarHBondContact OG-N 3.12Å
928	T	88	Confident	85.8	Confident	16 Å²	16	28.3 Å²	28.3	10%	0.098	16%	0.16	C	C	.	.	H	α-helix	trans	-53.1	-42.6	175.8	-61.6	0	0	0	0	112.3	A924 G926 L931 I932 A1137 S1140 T1141	A924-T928 PolarHBondContact O-N 2.8Å; A924-T928 PolarHBondContact O-OG1 3.07Å; G926-T928 VanDerWaalsContact C-N 3.29Å; G926-T928 PolarHBondContact O-N 2.94Å; T928-L931 PolarHBondContact O-N 3.47Å; T928-I932 HydrophobicContact CG2-CD1 4.15Å; T928-I932 WeakPolarHBondContact O-CG1 3.4Å; T928-I932 PolarHBondContact O-N 3.34Å; T928-A1137 HydrophobicContact CG2-CB 4.21Å; T928-S1140 VanDerWaalsContact OG1-CB 3.27Å; T928-S1140 WeakPolarHBondContact OG1-CB 3.45Å; T928-S1140 PolarHBondContact OG1-OG 3.29Å; T928-T1141 VanDerWaalsContact CG2-OG1 3.3Å; T928-T1141 WeakPolarHBondContact CG2-OG1 3.41Å; T928-T1141 PolarHBondContact OG1-OG1 3.24Å
929	V	87.9	Confident	86.2	Confident	80 Å²	80	27.9 Å²	27.9	49%	0.485	16%	0.163	S	C	.	.	H	α-helix	trans	-66.4	-42.5	-177.6	179.8	0	0	0	0	111.8	G926 S927 L931 I932 I933	G926-V929 PolarHBondContact O-N 3.09Å; G926-V929 VanDerWaalsContact O-N 3.14Å; S927-V929 VanDerWaalsContact C-N 3.27Å; S927-V929 PolarHBondContact O-N 2.88Å; V929-L931 VanDerWaalsContact C-N 3.31Å; V929-L931 PolarHBondContact O-N 3.24Å; V929-I932 PolarHBondContact O-N 3.12Å; V929-I933 HydrophobicContact CG1-CD1 4.37Å; V929-I933 WeakPolarHBondContact O-CG1 3.43Å; V929-I933 PolarHBondContact O-N 3.29Å
930	G	88.4	Confident	86.6	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.8	-37.8	178.5	0	0	0	0	0	113.2	G926 S927 I933 M934	G926-G930 PolarHBondContact O-N 3.34Å; S927-G930 PolarHBondContact O-N 3.41Å; G930-I933 PolarHBondContact O-N 3.29Å; G930-M934 PolarHBondContact O-N 3.14Å; G930-M934 VanDerWaalsContact O-N 3.17Å
931	L	90.9	Very high	86.8	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66.5	-40	178	-66.3	162.5	0	0	0	112	S927 T928 V929 I933 M934 G935 F1064 F1133 F1136 A1137	S927-L931 WeakPolarHBondContact O-CG 3.23Å; S927-L931 PolarHBondContact O-N 3.16Å; T928-L931 PolarHBondContact O-N 3.47Å; V929-L931 VanDerWaalsContact C-N 3.31Å; V929-L931 PolarHBondContact O-N 3.24Å; L931-I933 VanDerWaalsContact C-N 3.31Å; L931-I933 PolarHBondContact O-N 3.25Å; L931-M934 PolarHBondContact O-N 3.36Å; L931-G935 PolarHBondContact O-N 3.38Å; L931-G935 VanDerWaalsContact O-N 3.07Å; L931-F1064 HydrophobicContact CD1-CD2 3.97Å; L931-F1064 HydrophobicContact CD1-CE2 3.93Å; L931-F1064 HydrophobicContact CD2-CD2 3.74Å; L931-F1064 HydrophobicContact CD2-CE2 3.97Å; L931-F1064 HydrophobicContact CD2-CG 4.19Å; L931-F1064 HydrophobicContact CG-CD2 3.56Å; L931-F1064 HydrophobicContact CG-CE2 3.96Å; L931-F1064 HydrophobicContact CG-CG 4.33Å; L931-F1133 HydrophobicContact CD2-CD1 4.12Å; L931-F1133 WeakPolarHBondContact O-CB 3.22Å; L931-F1136 HydrophobicContact CD1-CB 3.69Å; L931-F1136 HydrophobicContact CD2-CB 3.87Å; L931-F1136 HydrophobicContact CD2-CD2 4.42Å; L931-F1136 HydrophobicContact CG-CB 4.29Å; L931-A1137 HydrophobicContact CB-CB 3.96Å
932	I	91.5	Very high	86.8	Confident	75 Å²	75	29.4 Å²	29.4	39%	0.385	18%	0.175	S	C	.	.	H	α-helix	trans	-59.4	-42.3	174.6	-67.8	167	0	0	0	111	T928 V929 M934 G935 V936 F1134 A1137	T928-I932 HydrophobicContact CG2-CD1 4.15Å; T928-I932 WeakPolarHBondContact O-CG1 3.4Å; T928-I932 PolarHBondContact O-N 3.34Å; V929-I932 PolarHBondContact O-N 3.12Å; I932-M934 PolarHBondContact O-N 2.96Å; I932-G935 PolarHBondContact O-N 3.39Å; I932-V936 WeakPolarHBondContact O-CG2 3.46Å; I932-V936 PolarHBondContact O-N 3.21Å; I932-F1134 HydrophobicContact CG2-CE1 4.37Å; I932-A1137 HydrophobicContact CG1-CB 3.88Å
933	I	91.1	Very high	87	Confident	57 Å²	57	29 Å²	29	29%	0.292	19%	0.187	S	C	.	.	H	α-helix	trans	-64.3	-39.9	178.4	-61.9	166.7	0	0	0	111.3	V929 G930 L931 G935 V936 G937 G1060 V1063	V929-I933 HydrophobicContact CG1-CD1 4.37Å; V929-I933 WeakPolarHBondContact O-CG1 3.43Å; V929-I933 PolarHBondContact O-N 3.29Å; G930-I933 PolarHBondContact O-N 3.29Å; L931-I933 VanDerWaalsContact C-N 3.31Å; L931-I933 PolarHBondContact O-N 3.25Å; I933-G935 VanDerWaalsContact C-N 3.34Å; I933-G935 PolarHBondContact O-N 3.42Å; I933-V936 PolarHBondContact O-N 3.05Å; I933-G937 PolarHBondContact O-N 3.44Å; I933-G1060 VanDerWaalsContact CG2-CA 3.48Å; I933-V1063 HydrophobicContact CD1-CB 4.22Å; I933-V1063 HydrophobicContact CD1-CG1 4.1Å; I933-V1063 HydrophobicContact CD1-CG2 4.02Å
934	M	90.6	Very high	86.8	Confident	0 Å²	0	31 Å²	31	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.2	-41.2	174.7	-66.2	-172	74.7	0	0	112.2	I877 G930 L931 I932 G937 F938 S1061 F1133	I877-M934 HydrophobicContact CG2-CE 4.03Å; G930-M934 PolarHBondContact O-N 3.14Å; G930-M934 VanDerWaalsContact O-N 3.17Å; L931-M934 PolarHBondContact O-N 3.36Å; I932-M934 PolarHBondContact O-N 2.96Å; M934-G937 PolarHBondContact O-N 3.17Å; M934-F938 WeakPolarHBondContact O-CD2 3.29Å; M934-F938 PolarHBondContact O-N 3.27Å; M934-S1061 VanDerWaalsContact SD-CA 3.57Å; M934-F1133 HydrophobicContact CB-CB 3.95Å; M934-F1133 HydrophobicContact CB-CD1 3.8Å; M934-F1133 HydrophobicContact CB-CD2 3.92Å; M934-F1133 HydrophobicContact CB-CE1 4.33Å; M934-F1133 HydrophobicContact CB-CE2 4.46Å; M934-F1133 HydrophobicContact CB-CG 3.59Å; M934-F1133 HydrophobicContact CE-CD1 4Å; M934-F1133 HydrophobicContact CE-CE1 3.36Å; M934-F1133 HydrophobicContact CE-CE2 4.12Å; M934-F1133 HydrophobicContact CE-CZ 3.45Å; M934-F1133 VanDerWaalsContact CE-CZ 3.45Å; M934-F1133 HydrophobicContact CG-CD1 4.41Å; M934-F1133 HydrophobicContact SD-CD1 3.8Å; M934-F1133 HydrophobicContact SD-CE1 3.68Å; M934-F1133 HydrophobicContact SD-CZ 4.35Å
935	G	90	Very high	86.8	Confident	0 Å²	0	31 Å²	31	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.5	-48.5	176.2	0	0	0	0	0	112.6	L931 I932 I933 G937 S939 Q1130	L931-G935 PolarHBondContact O-N 3.38Å; L931-G935 VanDerWaalsContact O-N 3.07Å; I932-G935 PolarHBondContact O-N 3.39Å; I933-G935 VanDerWaalsContact C-N 3.34Å; I933-G935 PolarHBondContact O-N 3.42Å; G935-G937 VanDerWaalsContact C-N 3.33Å; G935-G937 PolarHBondContact O-N 3.41Å; G935-S939 PolarHBondContact O-N 3.17Å; G935-Q1130 WeakPolarHBondContact O-CB 3.43Å
936	V	90.3	Very high	86.6	Confident	68 Å²	68	32.5 Å²	32.5	41%	0.412	20%	0.197	S	C	.	.	H	α-helix	trans	-61.5	-40.3	176.2	174.6	0	0	0	0	111.6	I932 I933 F938 S939 L940 F1134	I932-V936 WeakPolarHBondContact O-CG2 3.46Å; I932-V936 PolarHBondContact O-N 3.21Å; I933-V936 PolarHBondContact O-N 3.05Å; V936-F938 PolarHBondContact O-N 3.29Å; V936-S939 WeakPolarHBondContact O-CB 3.5Å; V936-S939 PolarHBondContact O-N 3.26Å; V936-L940 HydrophobicContact CG1-CD1 4.25Å; V936-L940 PolarHBondContact O-N 3.45Å; V936-F1134 HydrophobicContact CG2-CZ 4.21Å
937	G	89.2	Confident	86.4	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.3	-44.8	-178.4	0	0	0	0	0	114.4	I933 M934 G935 S939 L940 I941	I933-G937 PolarHBondContact O-N 3.44Å; M934-G937 PolarHBondContact O-N 3.17Å; G935-G937 VanDerWaalsContact C-N 3.33Å; G935-G937 PolarHBondContact O-N 3.41Å; G937-S939 VanDerWaalsContact C-N 3.33Å; G937-L940 PolarHBondContact O-N 3.38Å; G937-I941 PolarHBondContact O-N 3.45Å
938	F	89.2	Confident	85.9	Confident	4 Å²	4	36.8 Å²	36.8	2%	0.018	23%	0.225	C	C	.	.	H	α-helix	trans	-68.9	-31.9	176.3	-78.3	-67.1	0	0	0	112.6	M934 V936 L940 I941 A942 P1057 R1129 Q1130 F1133	M934-F938 WeakPolarHBondContact O-CD2 3.29Å; M934-F938 PolarHBondContact O-N 3.27Å; V936-F938 PolarHBondContact O-N 3.29Å; F938-L940 VanDerWaalsContact C-N 3.29Å; F938-L940 PolarHBondContact O-N 3.3Å; F938-I941 HydrophobicContact CD1-CD1 4.06Å; F938-I941 HydrophobicContact CE1-CD1 4.36Å; F938-I941 PolarHBondContact O-N 3.11Å; F938-A942 PolarHBondContact O-N 3.32Å; F938-A942 VanDerWaalsContact O-N 3.17Å; F938-P1057 HydrophobicContact CD1-CG 3.91Å; F938-P1057 HydrophobicContact CD2-CB 3.96Å; F938-P1057 HydrophobicContact CD2-CG 3.89Å; F938-P1057 HydrophobicContact CE1-CB 4.16Å; F938-P1057 HydrophobicContact CE1-CG 3.86Å; F938-P1057 HydrophobicContact CE2-CB 3.49Å; F938-P1057 VanDerWaalsContact CE2-CB 3.49Å; F938-P1057 HydrophobicContact CE2-CG 3.85Å; F938-P1057 HydrophobicContact CG-CB 4.48Å; F938-P1057 HydrophobicContact CG-CG 3.93Å; F938-P1057 HydrophobicContact CZ-CB 3.6Å; F938-P1057 HydrophobicContact CZ-CG 3.83Å; F938-R1129 HydrophobicContact CB-CB 3.95Å; F938-R1129 HydrophobicContact CD1-CB 3.84Å; F938-R1129 HydrophobicContact CD1-CG 4.35Å; F938-R1129 HydrophobicContact CD2-CB 3.99Å; F938-R1129 HydrophobicContact CE1-CB 4.34Å; F938-R1129 HydrophobicContact CE2-CB 4.46Å; F938-R1129 HydrophobicContact CG-CB 3.66Å; F938-Q1130 HydrophobicContact CB-CB 4.03Å; F938-F1133 AromaticContact CD2-CD2 3.93Å; F938-F1133 HydrophobicContact CD2-CD2 3.93Å; F938-F1133 AromaticContact CD2-CE2 3.69Å; F938-F1133 HydrophobicContact CD2-CE2 3.69Å; F938-F1133 HydrophobicContact CE2-CD2 4.13Å; F938-F1133 AromaticContact CE2-CE2 3.45Å; F938-F1133 HydrophobicContact CE2-CE2 3.45Å; F938-F1133 VanDerWaalsContact CE2-CE2 3.45Å; F938-F1133 HydrophobicContact CE2-CZ 4.23Å
939	S	89.2	Confident	85.3	Confident	61 Å²	61	41 Å²	41	43%	0.427	25%	0.247	S	C	.	.	H	α-helix	trans	-61.3	-37	173.8	-164.9	0	0	0	0	112.6	G935 V936 G937 S943	G935-S939 PolarHBondContact O-N 3.17Å; V936-S939 WeakPolarHBondContact O-CB 3.5Å; V936-S939 PolarHBondContact O-N 3.26Å; G937-S939 VanDerWaalsContact C-N 3.33Å; S939-S943 PolarHBondContact O-N 3.49Å
940	L	85.3	Confident	84.6	Confident	56 Å²	56	40.6 Å²	40.6	29%	0.293	24%	0.237	S	C	.	.	H	α-helix	trans	-72.5	-38.9	178.5	-68.3	169.8	0	0	0	112.3	V936 G937 F938 A942 S943 T944 Y1053 V1056	V936-L940 HydrophobicContact CG1-CD1 4.25Å; V936-L940 PolarHBondContact O-N 3.45Å; G937-L940 PolarHBondContact O-N 3.38Å; F938-L940 VanDerWaalsContact C-N 3.29Å; F938-L940 PolarHBondContact O-N 3.3Å; L940-A942 PolarHBondContact O-N 2.83Å; L940-S943 PolarHBondContact O-N 2.97Å; L940-S943 PolarHBondContact O-OG 3.34Å; L940-T944 PolarHBondContact O-N 3.04Å; L940-T944 PolarHBondContact O-OG1 3.19Å; L940-Y1053 HydrophobicContact CB-CD1 3.86Å; L940-Y1053 HydrophobicContact CB-CD2 3.99Å; L940-Y1053 HydrophobicContact CB-CE1 4.48Å; L940-Y1053 HydrophobicContact CB-CG 3.57Å; L940-Y1053 HydrophobicContact CD1-CD1 3.85Å; L940-Y1053 HydrophobicContact CD1-CE1 4.18Å; L940-Y1053 HydrophobicContact CD1-CG 4.44Å; L940-Y1053 HydrophobicContact CD2-CE1 4.48Å; L940-Y1053 HydrophobicContact CG-CD1 4.33Å; L940-V1056 HydrophobicContact CD1-CG2 4.48Å
941	I	85	Confident	83.8	Confident	1 Å²	1	49 Å²	49	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-57.6	-48.1	174.3	-66.2	170.8	0	0	0	110.5	G937 F938 S943 T944 S945 T1051 P1057	G937-I941 PolarHBondContact O-N 3.45Å; F938-I941 HydrophobicContact CD1-CD1 4.06Å; F938-I941 HydrophobicContact CE1-CD1 4.36Å; F938-I941 PolarHBondContact O-N 3.11Å; I941-S943 PolarHBondContact O-N 3.35Å; I941-T944 PolarHBondContact O-N 3.35Å; I941-S945 PolarHBondContact O-N 3.12Å; I941-T1051 HydrophobicContact CG2-CG2 4.06Å; I941-P1057 HydrophobicContact CD1-CG 3.68Å
942	A	82.4	Confident	82.8	Confident	29 Å²	29	49.5 Å²	49.5	24%	0.24	28%	0.276	C	S	.	.	H	α-helix	trans	-56	-49.6	177.1	0	0	0	0	0	111.7	F938 L940 T944 S945	F938-A942 PolarHBondContact O-N 3.32Å; F938-A942 VanDerWaalsContact O-N 3.17Å; L940-A942 PolarHBondContact O-N 2.83Å; A942-T944 VanDerWaalsContact C-N 3.26Å; A942-T944 PolarHBondContact O-N 3.42Å; A942-T944 VanDerWaalsContact O-N 3.17Å; A942-S945 PolarHBondContact O-N 3.42Å; A942-S945 PolarHBondContact O-OG 3.32Å
943	S	82.5	Confident	81.4	Confident	87 Å²	87	51.4 Å²	51.4	61%	0.608	29%	0.287	S	S	*	.	H	α-helix	trans	-64.4	-18.9	-175.4	72.8	0	0	0	0	116.4	S939 L940 I941	S939-S943 PolarHBondContact O-N 3.49Å; L940-S943 PolarHBondContact O-N 2.97Å; L940-S943 PolarHBondContact O-OG 3.34Å; I941-S943 PolarHBondContact O-N 3.35Å
944	T	78.4	Confident	79.7	Confident	62 Å²	62	51 Å²	51	38%	0.38	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	13.1	-171.7	-53.2	0	0	0	0	112.2	L940 I941 A942 Y1053	L940-T944 PolarHBondContact O-N 3.04Å; L940-T944 PolarHBondContact O-OG1 3.19Å; I941-T944 PolarHBondContact O-N 3.35Å; A942-T944 VanDerWaalsContact C-N 3.26Å; A942-T944 PolarHBondContact O-N 3.42Å; A942-T944 VanDerWaalsContact O-N 3.17Å; T944-Y1053 HydrophobicContact CG2-CD2 4.11Å; T944-Y1053 HydrophobicContact CG2-CE2 3.95Å; T944-Y1053 WeakPolarHBondContact OG1-CD2 3.44Å; T944-Y1053 WeakPolarHBondContact OG1-CE2 3.39Å
945	S	81	Confident	77.7	Confident	19 Å²	19	59 Å²	59	13%	0.133	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-72.9	145.5	179.7	58.2	0	0	0	0	111.8	I941 A942 S973	I941-S945 PolarHBondContact O-N 3.12Å; A942-S945 PolarHBondContact O-N 3.42Å; A942-S945 PolarHBondContact O-OG 3.32Å; S945-S973 VanDerWaalsContact OG-CB 3.27Å; S945-S973 WeakPolarHBondContact OG-CB 3.4Å; S945-S973 PolarHBondContact OG-OG 3.25Å
946	L	79.1	Confident	75.9	Confident	63 Å²	63	61.7 Å²	61.7	33%	0.33	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-63.5	138	179.8	-83.7	161.5	0	0	0	111.1	S973 C974 F985 F987	L946-S973 WeakPolarHBondContact O-CA 3.32Å; L946-C974 HydrophobicContact CB-CB 4.39Å; L946-C974 PolarHBondContact O-N 3.12Å; L946-F985 HydrophobicContact CB-CE1 3.65Å; L946-F985 HydrophobicContact CB-CZ 3.72Å; L946-F985 HydrophobicContact CD1-CE1 4.15Å; L946-F985 WeakPolarHBondContact O-CZ 3.48Å; L946-F987 HydrophobicContact CD1-CD2 3.58Å; L946-F987 HydrophobicContact CD1-CE2 3.73Å; L946-F987 HydrophobicContact CD1-CG 4.11Å; L946-F987 HydrophobicContact CD1-CZ 4.36Å
947	P	78.8	Confident	73.6	Confident	58 Å²	58	64.4 Å²	64.4	38%	0.377	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-75.7	147.6	174.7	33.4	-36.1	0	0	0	111.2	L949 F972	P947-L949 HydrophobicContact CB-CD1 4.21Å; P947-L949 HydrophobicContact CB-CG 3.99Å; P947-L949 HydrophobicContact CG-CD1 3.74Å; P947-L949 HydrophobicContact CG-CG 4.01Å; P947-L949 PolarHBondContact O-N 3.27Å; P947-F972 WeakPolarHBondContact CA-O 3.26Å
948	S	75.7	Confident	71.5	Confident	36 Å²	36	67.4 Å²	67.4	25%	0.252	38%	0.384	S	S	.	.			trans	-86.3	80.1	176.8	-171.7	0	0	0	0	110.7	A971 F972 G998 S999 C1000	S948-A971 WeakPolarHBondContact CB-O 3.25Å; S948-F972 PolarHBondContact N-O 3.18Å; S948-G998 CarbonylContact C-O 3.38Å; S948-G998 WeakPolarHBondContact CA-O 3.38Å; S948-S999 WeakPolarHBondContact OG-CA 3.39Å; S948-C1000 PolarHBondContact OG-N 2.65Å; S948-C1000 VanDerWaalsContact OG-N 3.13Å
949	L	74.7	Confident	69	Low	105 Å²	105	76.4 Å²	76.4	55%	0.55	42%	0.418	S	S	.	.			trans	-102.6	-16.5	-174.5	-64.1	173.9	0	0	0	114.4	P947 A994 S997 G998	P947-L949 HydrophobicContact CB-CD1 4.21Å; P947-L949 HydrophobicContact CB-CG 3.99Å; P947-L949 HydrophobicContact CG-CD1 3.74Å; P947-L949 HydrophobicContact CG-CG 4.01Å; P947-L949 PolarHBondContact O-N 3.27Å; L949-A994 VanDerWaalsContact CD1-O 3.3Å; L949-A994 WeakPolarHBondContact CD1-O 3.4Å; L949-S997 PolarHBondContact N-O 2.97Å; L949-G998 PolarHBondContact N-O 2.68Å
950	Y	72.4	Confident	66.8	Low	71 Å²	71	82.7 Å²	82.7	28%	0.278	44%	0.438	S	S	.	.			trans	-90.7	142.9	177.5	-171.8	-87.1	0	0	0	110.6	E952 S995 S997 G998 S999 R1019	Y950-E952 HydrophobicContact CD1-CG 4.24Å; Y950-E952 HydrophobicContact CE1-CG 4.34Å; Y950-S995 WeakPolarHBondContact CD2-O 3.26Å; Y950-S997 PolarHBondContact N-O 2.98Å; Y950-G998 WeakPolarHBondContact CB-O 3.31Å; Y950-G998 PolarHBondContact N-O 3.18Å; Y950-S999 VanDerWaalsContact C-OG 3.24Å; Y950-S999 WeakPolarHBondContact CB-OG 3.23Å; Y950-S999 WeakPolarHBondContact CD1-OG 3.44Å; Y950-S999 PolarHBondContact O-OG 3.21Å; Y950-R1019 VanDerWaalsContact CD1-CZ 3.45Å; Y950-R1019 VanDerWaalsContact CE1-CZ 3.45Å
951	K	71.9	Confident	65	Low	178 Å²	178	84.2 Å²	84.2	77%	0.774	45%	0.446	S	S	*	.			trans	-107.9	121.8	174.1	-166.9	179.6	-178.8	-173.3	0	108.8
952	E	69.5	Low	63.4	Low	9 Å²	9	88.5 Å²	88.5	4%	0.042	47%	0.469	C	S	.	.			trans	-81.2	128.3	-179.8	-68	-69	166.7	0	0	111.2	Y950 V1001 Y1017 G1018 R1019	Y950-E952 HydrophobicContact CD1-CG 4.24Å; Y950-E952 HydrophobicContact CE1-CG 4.34Å; E952-V1001 HydrophobicContact CB-CG1 4.17Å; E952-V1001 HydrophobicContact CG-CG1 3.79Å; E952-Y1017 HydrophobicContact CB-CD2 4.09Å; E952-Y1017 HydrophobicContact CB-CE2 3.69Å; E952-G1018 VanDerWaalsContact OE2-CA 3.27Å; E952-G1018 WeakPolarHBondContact OE2-CA 3.48Å; E952-R1019 IonicContact OE1-CZ 3.27Å; E952-R1019 IonicContact OE1-NE 3.06Å; E952-R1019 PolarHBondContact OE1-NE 3.28Å; E952-R1019 IonicContact OE1-NH2 3.01Å; E952-R1019 PolarHBondContact OE1-NH2 3.03Å; E952-R1019 WeakPolarHBondContact OE2-CG 3.37Å; E952-R1019 PolarHBondContact OE2-N 3.39Å; E952-R1019 IonicContact OE2-NE 3.79Å
953	D	63.1	Low	62.2	Low	115 Å²	115	91.8 Å²	91.8	62%	0.615	48%	0.478	S	S	*	.			trans	-82.5	149.9	178.2	-67.1	-44	0	0	0	112.5	F955	D953-F955 PolarHBondContact O-N 2.96Å
954	S	55.5	Low	60.8	Low	50 Å²	50	89.1 Å²	89.1	35%	0.35	46%	0.461	S	S	.	.			trans	-70.3	20.4	-172.3	-44.3	0	0	0	0	116.4	V956 A964	S954-V956 PolarHBondContact O-N 2.72Å; S954-A964 WeakPolarHBondContact OG-CB 3.47Å
955	F	48.8	Very low	59.7	Low	167 Å²	167	93.6 Å²	93.6	73%	0.732	48%	0.478	S	S	*	.			trans	-91.4	95.2	-161.7	-146.5	-87.8	0	0	0	114.4	D953	D953-F955 PolarHBondContact O-N 2.96Å
956	V	51.1	Low	58.7	Low	57 Å²	57	100.9 Å²	100.9	35%	0.345	51%	0.508	S	S	.	.	B	Isolated β-bridge	trans	-124.7	115.5	168.8	-176.8	0	0	0	0	110.5	S954 G958 R959	S954-V956 PolarHBondContact O-N 2.72Å; V956-G958 VanDerWaalsContact C-N 3.3Å; V956-G958 PolarHBondContact O-N 3.07Å; V956-R959 PolarHBondContact O-N 3.45Å
957	N	43.6	Very low	58.1	Low	125 Å²	125	98.8 Å²	98.8	67%	0.668	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.6	39.3	168.2	-64.1	-23.9	0	0	0	116.7	R959	N957-R959 PolarHBondContact O-N 3.25Å
958	G	43.4	Very low	57.9	Low	63 Å²	63	101.5 Å²	101.5	65%	0.649	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	15.4	173.5	0	0	0	0	0	115.3	V956	V956-G958 VanDerWaalsContact C-N 3.3Å; V956-G958 PolarHBondContact O-N 3.07Å
959	R	38.4	Very low	58	Low	193 Å²	193	100.1 Å²	100.1	73%	0.728	49%	0.493	S	S	*	.	B	Isolated β-bridge	trans	-104.3	126	168.1	-65.2	-173.2	-170.7	-176.2	2.7	109.7	V956 N957 D961	V956-R959 PolarHBondContact O-N 3.45Å; N957-R959 PolarHBondContact O-N 3.25Å; R959-D961 PolarHBondContact O-N 2.92Å; R959-D961 VanDerWaalsContact O-N 3.16Å
960	F	41.9	Very low	57.7	Low	192 Å²	192	103.8 Å²	103.8	84%	0.842	50%	0.504	S	S	*	.			trans	-77.4	90.1	167.5	-79	-93.9	0	0	0	109
961	D	48.5	Very low	57.7	Low	88 Å²	88	101 Å²	101	47%	0.471	50%	0.496	S	S	.	.			trans	-104.8	127.8	163.4	-73.1	-41.3	0	0	0	108.9	R959 F963	R959-D961 PolarHBondContact O-N 2.92Å; R959-D961 VanDerWaalsContact O-N 3.16Å; D961-F963 HydrophobicContact CB-CD2 3.45Å; D961-F963 VanDerWaalsContact CB-CD2 3.45Å; D961-F963 HydrophobicContact CB-CE2 3.55Å; D961-F963 PolarHBondContact O-N 3.47Å
962	N	51.7	Low	57.7	Low	92 Å²	92	101.3 Å²	101.3	49%	0.492	50%	0.498	S	S	.	.			trans	-73.3	41.2	-174.3	-65	17.7	0	0	0	113.9	E965 K966	N962-E965 HydrophobicContact CB-CB 4.27Å; N962-E965 PolarHBondContact ND2-OE2 2.93Å; N962-E965 VanDerWaalsContact ND2-OE2 3.12Å; N962-E965 PolarHBondContact O-N 3.47Å; N962-K966 PolarHBondContact O-N 3.32Å
963	F	56.1	Low	58.2	Low	97 Å²	97	101.7 Å²	101.7	43%	0.425	50%	0.501	S	S	.	.	G	3₁₀ helix	trans	-63	-44	-177.3	-83	-76.7	0	0	0	112.9	D961 E965 K966 D967 Y1017	D961-F963 HydrophobicContact CB-CD2 3.45Å; D961-F963 VanDerWaalsContact CB-CD2 3.45Å; D961-F963 HydrophobicContact CB-CE2 3.55Å; D961-F963 PolarHBondContact O-N 3.47Å; F963-E965 PolarHBondContact O-N 3.16Å; F963-E965 VanDerWaalsContact O-N 3.14Å; F963-K966 PolarHBondContact O-N 3.29Å; F963-K966 VanDerWaalsContact O-N 3.15Å; F963-D967 PolarHBondContact O-N 3.43Å; F963-Y1017 HydrophobicContact CB-CD1 3.75Å; F963-Y1017 HydrophobicContact CB-CE1 4.41Å; F963-Y1017 HydrophobicContact CB-CG 4.02Å
964	A	53.7	Low	59.2	Low	31 Å²	31	96.3 Å²	96.3	26%	0.256	47%	0.473	S	S	.	.	G	3₁₀ helix	trans	-65.1	-17	178.9	0	0	0	0	0	113.9	S954 Y1017	S954-A964 WeakPolarHBondContact OG-CB 3.47Å; A964-Y1017 HydrophobicContact CB-CD2 4.07Å; A964-Y1017 HydrophobicContact CB-CE2 3.6Å
965	E	56	Low	60.4	Low	157 Å²	157	94.2 Å²	94.2	73%	0.734	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-91.7	-21.4	179.5	-142.4	173.1	-149.1	0	0	112.5	N962 F963	N962-E965 HydrophobicContact CB-CB 4.27Å; N962-E965 PolarHBondContact ND2-OE2 2.93Å; N962-E965 VanDerWaalsContact ND2-OE2 3.12Å; N962-E965 PolarHBondContact O-N 3.47Å; F963-E965 PolarHBondContact O-N 3.16Å; F963-E965 VanDerWaalsContact O-N 3.14Å
966	K	59.7	Low	62	Low	172 Å²	172	90 Å²	90	75%	0.748	44%	0.443	S	S	*	.	S	Bend	trans	-102	6.6	178.7	-72.4	-176.9	176.7	176.1	0	113.7	N962 F963 F968	N962-K966 PolarHBondContact O-N 3.32Å; F963-K966 PolarHBondContact O-N 3.29Å; F963-K966 VanDerWaalsContact O-N 3.15Å; K966-F968 PolarHBondContact O-N 3.19Å
967	D	65.5	Low	63.6	Low	18 Å²	18	87.3 Å²	87.3	10%	0.096	43%	0.427	C	S	.	.			trans	-72.4	118.1	-176	-161.3	54.4	0	0	0	111.8	F963 C969 S1002 Y1017	F963-D967 PolarHBondContact O-N 3.43Å; D967-C969 VanDerWaalsContact C-N 3.27Å; D967-C969 VanDerWaalsContact OD2-CB 3.29Å; D967-C969 WeakPolarHBondContact OD2-CB 3.42Å; D967-S1002 WeakPolarHBondContact OD1-CB 3.46Å; D967-S1002 PolarHBondContact OD1-N 2.91Å; D967-S1002 PolarHBondContact OD1-OG 2.72Å; D967-Y1017 HydrophobicContact CB-CE1 4.14Å; D967-Y1017 WeakPolarHBondContact CB-OH 3.39Å; D967-Y1017 PolarHBondContact OD2-OH 3.27Å
968	F	74.7	Confident	65.3	Low	116 Å²	116	82 Å²	82	51%	0.509	40%	0.399	S	S	.	.			trans	-82.1	-7.1	180	41.9	-98.9	0	0	0	112.5	K966 K970 D982	K966-F968 PolarHBondContact O-N 3.19Å; F968-K970 VanDerWaalsContact C-N 3.33Å; F968-K970 PolarHBondContact O-N 3.04Å; F968-D982 HydrophobicContact CD2-CB 4.37Å; F968-D982 HydrophobicContact CE2-CB 3.39Å; F968-D982 HydrophobicContact CZ-CB 3.77Å
969	C	77.2	Confident	66.9	Low	6 Å²	6	81.6 Å²	81.6	4%	0.041	38%	0.378	C	S	.	.			trans	-83.1	69.6	-173.2	-57.2	0	0	0	0	112.6	D967 A971 C983 C1000 V1001 S1002	D967-C969 VanDerWaalsContact C-N 3.27Å; D967-C969 VanDerWaalsContact OD2-CB 3.29Å; D967-C969 WeakPolarHBondContact OD2-CB 3.42Å; C969-A971 PolarHBondContact O-N 3Å; C969-C983 WeakPolarHBondContact CA-SG 3.36Å; C969-C983 HydrophobicContact CB-CB 3.7Å; C969-C983 WeakPolarHBondContact CB-SG 3.4Å; C969-C983 WeakPolarHBondContact SG-CA 3.46Å; C969-C983 WeakPolarHBondContact SG-CB 3.17Å; C969-C983 CovalentContact SG-SG 2.03Å; C969-C983 PolarHBondContact SG-SG 3.23Å; C969-C1000 HydrophobicContact CB-CB 4.34Å; C969-V1001 VanDerWaalsContact SG-C 3.5Å; C969-S1002 VanDerWaalsContact SG-CA 3.55Å; C969-S1002 PolarHBondContact SG-N 3.36Å
970	K	68.7	Low	68.7	Low	182 Å²	182	75.6 Å²	75.6	79%	0.791	36%	0.358	S	S	*	.			trans	-99.4	80.4	179.6	-65.2	-179.4	-177	176.3	0	111.1	F968	F968-K970 VanDerWaalsContact C-N 3.33Å; F968-K970 PolarHBondContact O-N 3.04Å
971	A	72.4	Confident	69.9	Low	13 Å²	13	70.7 Å²	70.7	11%	0.107	35%	0.346	C	S	.	.			trans	-113.6	135.3	178	0	0	0	0	0	111	S948 C969 S973 D976 C977 C1000	S948-A971 WeakPolarHBondContact CB-O 3.25Å; C969-A971 PolarHBondContact O-N 3Å; A971-S973 VanDerWaalsContact C-N 3.32Å; A971-D976 HydrophobicContact CB-CB 3.88Å; A971-C977 HydrophobicContact CB-CB 3.75Å; A971-C1000 HydrophobicContact CB-CB 3.92Å
972	F	72.4	Confident	71.2	Confident	185 Å²	185	69.3 Å²	69.3	81%	0.811	34%	0.339	S	S	*	.	S	Bend	trans	-71.6	-31.3	175	-65.7	-77.9	0	0	0	112	P947 S948	P947-F972 WeakPolarHBondContact CA-O 3.26Å; S948-F972 PolarHBondContact N-O 3.18Å
973	S	80.9	Confident	72.6	Confident	17 Å²	17	65 Å²	65	12%	0.119	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-130.5	162.9	-176.1	80.3	0	0	0	0	113.1	S945 L946 A971 D975 D976 C977	S945-S973 VanDerWaalsContact OG-CB 3.27Å; S945-S973 WeakPolarHBondContact OG-CB 3.4Å; S945-S973 PolarHBondContact OG-OG 3.25Å; L946-S973 WeakPolarHBondContact O-CA 3.32Å; A971-S973 VanDerWaalsContact C-N 3.32Å; S973-D975 VanDerWaalsContact C-N 3.32Å; S973-D975 PolarHBondContact O-N 3.43Å; S973-D975 PolarHBondContact OG-N 3.34Å; S973-D976 WeakPolarHBondContact CB-OD2 3.47Å; S973-D976 PolarHBondContact N-OD2 2.99Å; S973-D976 PolarHBondContact O-N 3Å; S973-D976 PolarHBondContact OG-N 2.91Å; S973-D976 PolarHBondContact OG-OD2 2.78Å; S973-C977 WeakPolarHBondContact O-CB 3.45Å; S973-C977 PolarHBondContact O-N 2.78Å
974	C	82.8	Confident	73.8	Confident	2 Å²	2	60.4 Å²	60.4	1%	0.014	30%	0.296	C	S	.	.	H	α-helix	trans	-63.7	-30.2	172.9	163.5	0	0	0	0	113.6	L946 S978 F985 C1049	L946-C974 HydrophobicContact CB-CB 4.39Å; L946-C974 PolarHBondContact O-N 3.12Å; C974-S978 PolarHBondContact O-N 3.34Å; C974-S978 VanDerWaalsContact O-N 3.17Å; C974-F985 HydrophobicContact CB-CB 4.42Å; C974-F985 HydrophobicContact CB-CD1 3.65Å; C974-F985 HydrophobicContact CB-CD2 3.8Å; C974-F985 HydrophobicContact CB-CE1 3.7Å; C974-F985 HydrophobicContact CB-CE2 3.84Å; C974-F985 HydrophobicContact CB-CG 3.69Å; C974-F985 HydrophobicContact CB-CZ 3.78Å; C974-C1049 VanDerWaalsContact C-SG 3.6Å; C974-C1049 HydrophobicContact CB-CB 4.17Å; C974-C1049 WeakPolarHBondContact CB-SG 3.41Å; C974-C1049 WeakPolarHBondContact SG-CA 3.39Å; C974-C1049 WeakPolarHBondContact SG-CB 3.29Å; C974-C1049 CovalentContact SG-SG 2.04Å; C974-C1049 PolarHBondContact SG-SG 3.28Å
975	D	81.9	Confident	75.3	Confident	6 Å²	6	59 Å²	59	3%	0.032	28%	0.284	C	S	.	.	H	α-helix	trans	-72.6	-45	174.9	-167.5	52.5	0	0	0	111.3	S973 C977 S978 Y979 C1049 R1129	S973-D975 VanDerWaalsContact C-N 3.32Å; S973-D975 PolarHBondContact O-N 3.43Å; S973-D975 PolarHBondContact OG-N 3.34Å; D975-C977 VanDerWaalsContact C-N 3.29Å; D975-C977 PolarHBondContact O-N 3.5Å; D975-S978 WeakPolarHBondContact O-CA 3.44Å; D975-S978 WeakPolarHBondContact O-CB 3.06Å; D975-S978 PolarHBondContact O-N 3.48Å; D975-S978 PolarHBondContact O-OG 3.03Å; D975-S978 PolarHBondContact OD1-OG 3.35Å; D975-Y979 VanDerWaalsContact O-CD2 3.24Å; D975-Y979 WeakPolarHBondContact O-CD2 3.43Å; D975-Y979 PolarHBondContact O-N 3.09Å; D975-Y979 WeakPolarHBondContact OD2-CE2 3.45Å; D975-C1049 HydrophobicContact CB-CB 4.5Å; D975-R1129 IonicContact OD1-CZ 3.56Å; D975-R1129 IonicContact OD1-NH1 2.73Å; D975-R1129 PolarHBondContact OD1-NH1 2.93Å
976	D	82.1	Confident	76.6	Confident	78 Å²	78	51.6 Å²	51.6	42%	0.417	25%	0.249	S	C	.	.	H	α-helix	trans	-56.8	-44.2	174.3	-61.2	-49.1	0	0	0	111.3	A971 S973 S978 Y979	A971-D976 HydrophobicContact CB-CB 3.88Å; S973-D976 WeakPolarHBondContact CB-OD2 3.47Å; S973-D976 PolarHBondContact N-OD2 2.99Å; S973-D976 PolarHBondContact O-N 3Å; S973-D976 PolarHBondContact OG-N 2.91Å; S973-D976 PolarHBondContact OG-OD2 2.78Å; D976-S978 PolarHBondContact O-N 2.75Å; D976-Y979 PolarHBondContact O-N 3.5Å
977	C	84.2	Confident	77.7	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.007	22%	0.217	C	C	.	.	H	α-helix	trans	-57.6	-38.8	175.4	-166.8	0	0	0	0	111.6	A971 S973 D975 Y979 Q980 G984 F985 C1000	A971-C977 HydrophobicContact CB-CB 3.75Å; S973-C977 WeakPolarHBondContact O-CB 3.45Å; S973-C977 PolarHBondContact O-N 2.78Å; D975-C977 VanDerWaalsContact C-N 3.29Å; D975-C977 PolarHBondContact O-N 3.5Å; C977-Y979 VanDerWaalsContact C-N 3.27Å; C977-Y979 PolarHBondContact O-N 2.92Å; C977-Q980 PolarHBondContact O-N 2.92Å; C977-Q980 VanDerWaalsContact O-N 3.17Å; C977-G984 VanDerWaalsContact SG-C 3.56Å; C977-F985 HydrophobicContact CB-CB 4.48Å; C977-F985 HydrophobicContact CB-CD2 4.27Å; C977-C1000 VanDerWaalsContact CA-SG 3.57Å; C977-C1000 HydrophobicContact CB-CB 3.83Å; C977-C1000 WeakPolarHBondContact CB-SG 3.48Å; C977-C1000 VanDerWaalsContact SG-CA 3.53Å; C977-C1000 WeakPolarHBondContact SG-CB 3.46Å; C977-C1000 CovalentContact SG-SG 2.03Å; C977-C1000 PolarHBondContact SG-SG 3.29Å
978	S	80.2	Confident	78.3	Confident	12 Å²	12	45.3 Å²	45.3	8%	0.084	22%	0.222	C	C	.	.	H	α-helix	trans	-71.7	-12.9	-178	82.8	0	0	0	0	115.1	C974 D975 D976 R1129	C974-S978 PolarHBondContact O-N 3.34Å; C974-S978 VanDerWaalsContact O-N 3.17Å; D975-S978 WeakPolarHBondContact O-CA 3.44Å; D975-S978 WeakPolarHBondContact O-CB 3.06Å; D975-S978 PolarHBondContact O-N 3.48Å; D975-S978 PolarHBondContact O-OG 3.03Å; D975-S978 PolarHBondContact OD1-OG 3.35Å; D976-S978 PolarHBondContact O-N 2.75Å; S978-R1129 PolarHBondContact O-NH2 2.74Å; S978-R1129 PolarHBondContact OG-NH1 3.08Å; S978-R1129 PolarHBondContact OG-NH2 3.1Å
979	Y	76.1	Confident	78.1	Confident	55 Å²	55	43.4 Å²	43.4	22%	0.216	22%	0.221	C	C	.	.	H	α-helix	trans	-82	-21.5	171.5	-75.6	-84.5	0	0	0	112.7	D975 D976 C977 R1129	D975-Y979 VanDerWaalsContact O-CD2 3.24Å; D975-Y979 WeakPolarHBondContact O-CD2 3.43Å; D975-Y979 PolarHBondContact O-N 3.09Å; D975-Y979 WeakPolarHBondContact OD2-CE2 3.45Å; D976-Y979 PolarHBondContact O-N 3.5Å; C977-Y979 VanDerWaalsContact C-N 3.27Å; C977-Y979 PolarHBondContact O-N 2.92Å; Y979-R1129 HydrophobicContact CE1-CG 3.85Å; Y979-R1129 WeakPolarHBondContact OH-CD 3.31Å; Y979-R1129 WeakPolarHBondContact OH-CG 3.27Å; Y979-R1129 PolarHBondContact OH-N 3.21Å; Y979-R1129 VanDerWaalsContact OH-N 3.12Å
980	Q	75.4	Confident	77.7	Confident	67 Å²	67	47.5 Å²	47.5	31%	0.313	25%	0.246	S	C	.	.			trans	-84.3	118.5	-178.7	-67.3	-174.9	-28.7	0	0	110.4	C977 D982 C983	C977-Q980 PolarHBondContact O-N 2.92Å; C977-Q980 VanDerWaalsContact O-N 3.17Å; Q980-D982 PolarHBondContact O-N 3.44Å; Q980-D982 VanDerWaalsContact O-N 3.12Å; Q980-C983 HydrophobicContact CB-CB 3.81Å; Q980-C983 PolarHBondContact O-N 2.88Å; Q980-C983 PolarHBondContact OE1-SG 2.98Å
981	P	68.4	Low	77.4	Confident	90 Å²	90	40.4 Å²	40.4	58%	0.584	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-10.5	-170.3	30	-37.3	0	0	0	114.4	R1005 Y1046	P981-R1005 PolarHBondContact O-NH2 3.39Å; P981-R1005 VanDerWaalsContact O-NH2 3.1Å; P981-Y1046 PolarHBondContact O-OH 3.28Å; P981-Y1046 VanDerWaalsContact O-OH 3.06Å
982	D	75.6	Confident	76.6	Confident	59 Å²	59	51.4 Å²	51.4	32%	0.316	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	2.8	-175.8	-59	-31.6	0	0	0	112.3	F968 Q980 S1002 V1003 R1005	F968-D982 HydrophobicContact CD2-CB 4.37Å; F968-D982 HydrophobicContact CE2-CB 3.39Å; F968-D982 HydrophobicContact CZ-CB 3.77Å; Q980-D982 PolarHBondContact O-N 3.44Å; Q980-D982 VanDerWaalsContact O-N 3.12Å; D982-S1002 WeakPolarHBondContact O-CA 3.44Å; D982-V1003 PolarHBondContact O-N 3.17Å; D982-R1005 IonicContact OD1-CZ 3.27Å; D982-R1005 IonicContact OD1-NH1 2.68Å; D982-R1005 PolarHBondContact OD1-NH1 3.08Å; D982-R1005 IonicContact OD1-NH2 3.98Å; D982-R1005 PolarHBondContact OD1-NH2 3.39Å
983	C	81.3	Confident	75.9	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.007	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	149.1	-172.9	-58.3	0	0	0	0	112.1	C969 Q980 V1001 Y1046	C969-C983 WeakPolarHBondContact CA-SG 3.36Å; C969-C983 HydrophobicContact CB-CB 3.7Å; C969-C983 WeakPolarHBondContact CB-SG 3.4Å; C969-C983 WeakPolarHBondContact SG-CA 3.46Å; C969-C983 WeakPolarHBondContact SG-CB 3.17Å; C969-C983 CovalentContact SG-SG 2.03Å; C969-C983 PolarHBondContact SG-SG 3.23Å; Q980-C983 HydrophobicContact CB-CB 3.81Å; Q980-C983 PolarHBondContact O-N 2.88Å; Q980-C983 PolarHBondContact OE1-SG 2.98Å; C983-V1001 WeakPolarHBondContact CA-O 3.28Å; C983-Y1046 VanDerWaalsContact O-CD2 3.3Å; C983-Y1046 WeakPolarHBondContact O-CD2 3.35Å
984	G	80	Confident	74.5	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	157.2	169.6	0	0	0	0	0	111.1	C977 V1001 D1045	C977-G984 VanDerWaalsContact SG-C 3.56Å; G984-V1001 PolarHBondContact N-O 3.47Å; G984-V1001 PolarHBondContact O-N 3.43Å; G984-V1001 VanDerWaalsContact O-O 3.09Å; G984-D1045 CarbonylContact C-O 3.25Å; G984-D1045 VanDerWaalsContact CA-O 3.25Å; G984-D1045 WeakPolarHBondContact CA-O 3.1Å
985	F	86	Confident	73.1	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.009	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	105.8	-177.4	-165.9	-103.8	0	0	0	109.9	L946 C974 C977 F987 G998 S999 C1000 D1045	L946-F985 HydrophobicContact CB-CE1 3.65Å; L946-F985 HydrophobicContact CB-CZ 3.72Å; L946-F985 HydrophobicContact CD1-CE1 4.15Å; L946-F985 WeakPolarHBondContact O-CZ 3.48Å; C974-F985 HydrophobicContact CB-CB 4.42Å; C974-F985 HydrophobicContact CB-CD1 3.65Å; C974-F985 HydrophobicContact CB-CD2 3.8Å; C974-F985 HydrophobicContact CB-CE1 3.7Å; C974-F985 HydrophobicContact CB-CE2 3.84Å; C974-F985 HydrophobicContact CB-CG 3.69Å; C974-F985 HydrophobicContact CB-CZ 3.78Å; C977-F985 HydrophobicContact CB-CB 4.48Å; C977-F985 HydrophobicContact CB-CD2 4.27Å; F985-F987 HydrophobicContact CD1-CB 4.04Å; F985-F987 AromaticContact CD1-CD1 3.69Å; F985-F987 HydrophobicContact CD1-CD1 3.69Å; F985-F987 HydrophobicContact CD1-CE1 4.4Å; F985-F987 HydrophobicContact CD1-CG 4.14Å; F985-F987 HydrophobicContact CE1-CB 3.74Å; F985-F987 HydrophobicContact CE1-CD1 4.08Å; F985-F987 HydrophobicContact CE1-CG 4.06Å; F985-G998 VanDerWaalsContact CZ-CA 3.41Å; F985-S999 CarbonylContact C-O 3.48Å; F985-C1000 HydrophobicContact CD2-CB 4.43Å; F985-D1045 PolarHBondContact N-O 3.25Å; F985-D1045 PolarHBondContact O-N 3.4Å
986	C	83.8	Confident	71.9	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	122.7	172	-175.5	0	0	0	0	109.7	G998 S999 V1001 C1020 V1043 F1044	C986-G998 CarbonylContact O-C 3.58Å; C986-G998 WeakPolarHBondContact O-CA 3.49Å; C986-S999 PolarHBondContact N-O 3.19Å; C986-S999 PolarHBondContact O-N 3.35Å; C986-V1001 HydrophobicContact CB-CG2 4.04Å; C986-C1020 VanDerWaalsContact CA-SG 3.53Å; C986-C1020 HydrophobicContact CB-CB 3.82Å; C986-C1020 WeakPolarHBondContact CB-SG 3.47Å; C986-C1020 WeakPolarHBondContact SG-CB 3.31Å; C986-C1020 CovalentContact SG-SG 2.04Å; C986-C1020 PolarHBondContact SG-SG 3.41Å; C986-V1043 WeakPolarHBondContact CA-O 3.23Å; C986-F1044 HydrophobicContact CB-CD2 4.11Å
987	F	82.4	Confident	71.1	Confident	17 Å²	17	52.1 Å²	52.1	8%	0.075	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	161.2	176.2	73.9	-77.1	0	0	0	112.8	L946 F985 P989 V1042 V1043 D1045	L946-F987 HydrophobicContact CD1-CD2 3.58Å; L946-F987 HydrophobicContact CD1-CE2 3.73Å; L946-F987 HydrophobicContact CD1-CG 4.11Å; L946-F987 HydrophobicContact CD1-CZ 4.36Å; F985-F987 HydrophobicContact CD1-CB 4.04Å; F985-F987 AromaticContact CD1-CD1 3.69Å; F985-F987 HydrophobicContact CD1-CD1 3.69Å; F985-F987 HydrophobicContact CD1-CE1 4.4Å; F985-F987 HydrophobicContact CD1-CG 4.14Å; F985-F987 HydrophobicContact CE1-CB 3.74Å; F985-F987 HydrophobicContact CE1-CD1 4.08Å; F985-F987 HydrophobicContact CE1-CG 4.06Å; F987-P989 HydrophobicContact CD2-CG 4.38Å; F987-P989 HydrophobicContact CE2-CB 4.34Å; F987-P989 HydrophobicContact CE2-CG 4.07Å; F987-V1042 CarbonylContact O-C 3.47Å; F987-V1042 WeakPolarHBondContact O-CA 3.29Å; F987-V1043 HydrophobicContact CE1-CB 4.39Å; F987-V1043 PolarHBondContact N-O 3.09Å; F987-V1043 PolarHBondContact O-N 3.2Å; F987-D1045 WeakPolarHBondContact CE1-OD2 3.4Å
988	M	77.3	Confident	70.8	Confident	42 Å²	42	52 Å²	52	21%	0.207	29%	0.291	C	S	.	.			trans	-101.8	109.9	175.3	-171.7	178.5	-164.7	0	0	108.5	T990 A991 K1041 V1042	M988-T990 PolarHBondContact O-N 3.23Å; M988-T990 VanDerWaalsContact O-N 3.08Å; M988-A991 HydrophobicContact CB-CB 4.2Å; M988-A991 VanDerWaalsContact O-CB 3.27Å; M988-A991 WeakPolarHBondContact O-CB 3.34Å; M988-A991 PolarHBondContact O-N 3.39Å; M988-A991 VanDerWaalsContact O-N 3.13Å; M988-K1041 HydrophobicContact CE-CB 3.75Å; M988-K1041 HydrophobicContact CE-CD 3.78Å; M988-K1041 HydrophobicContact CE-CG 4.43Å; M988-K1041 WeakPolarHBondContact CG-O 3.43Å; M988-V1042 HydrophobicContact CB-CG1 4.3Å
989	P	71.7	Confident	71	Confident	75 Å²	75	51.6 Å²	51.6	49%	0.487	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.7	-178.2	-22	33.5	0	0	0	113.8	F987 K1041 V1043	F987-P989 HydrophobicContact CD2-CG 4.38Å; F987-P989 HydrophobicContact CE2-CB 4.34Å; F987-P989 HydrophobicContact CE2-CG 4.07Å; P989-K1041 VanDerWaalsContact CD-O 3.25Å; P989-K1041 WeakPolarHBondContact CD-O 3.16Å; P989-V1043 HydrophobicContact CG-CB 4.2Å; P989-V1043 HydrophobicContact CG-CG2 3.51Å
990	T	68.5	Low	71.5	Confident	92 Å²	92	49.3 Å²	49.3	56%	0.564	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	13.2	-178.9	54.9	0	0	0	0	113.3	M988 R992	M988-T990 PolarHBondContact O-N 3.23Å; M988-T990 VanDerWaalsContact O-N 3.08Å; T990-R992 PolarHBondContact O-N 3.47Å; T990-R992 VanDerWaalsContact O-N 3.1Å
991	A	61.3	Low	71.9	Confident	33 Å²	33	46.2 Å²	46.2	27%	0.273	27%	0.266	S	S	.	.			trans	-61.2	107.4	176	0	0	0	0	0	111.5	M988 S996	M988-A991 HydrophobicContact CB-CB 4.2Å; M988-A991 VanDerWaalsContact O-CB 3.27Å; M988-A991 WeakPolarHBondContact O-CB 3.34Å; M988-A991 PolarHBondContact O-N 3.39Å; M988-A991 VanDerWaalsContact O-N 3.13Å; A991-S996 VanDerWaalsContact CB-OG 3.24Å; A991-S996 WeakPolarHBondContact CB-OG 3.37Å
992	R	55.5	Low	72.5	Confident	244 Å²	244	42.4 Å²	42.4	92%	0.921	24%	0.241	S	C	*	.			trans	-77.5	-23	170.1	-64	-171.2	-170.1	-175.1	3.8	112.9	T990	T990-R992 PolarHBondContact O-N 3.47Å; T990-R992 VanDerWaalsContact O-N 3.1Å
993	N	57.7	Low	72.5	Confident	101 Å²	101	40.3 Å²	40.3	54%	0.54	23%	0.23	S	C	.	.	S	Bend	trans	-104.6	134.2	-177.8	-66	1.2	0	0	0	110.4	S995 S996	N993-S995 PolarHBondContact O-N 3.43Å; N993-S995 VanDerWaalsContact O-N 3.1Å; N993-S996 PolarHBondContact O-N 3.07Å; N993-S996 PolarHBondContact O-OG 3.29Å
994	A	52.6	Low	71.9	Confident	74 Å²	74	45.5 Å²	45.5	61%	0.612	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-6.4	171.2	0	0	0	0	0	113.9	L949 S997	L949-A994 VanDerWaalsContact CD1-O 3.3Å; L949-A994 WeakPolarHBondContact CD1-O 3.4Å; A994-S997 PolarHBondContact O-OG 2.81Å
995	S	52.8	Low	71	Confident	88 Å²	88	52.5 Å²	52.5	62%	0.615	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-4	167.9	52.8	0	0	0	0	113.7	Y950 N993	Y950-S995 WeakPolarHBondContact CD2-O 3.26Å; N993-S995 PolarHBondContact O-N 3.43Å; N993-S995 VanDerWaalsContact O-N 3.1Å
996	S	56.3	Low	69.4	Low	27 Å²	27	55 Å²	55	19%	0.189	29%	0.294	C	S	.	.	S	Bend	trans	-108.2	2.8	176.2	58.6	0	0	0	0	113.5	A991 N993 R1019	A991-S996 VanDerWaalsContact CB-OG 3.24Å; A991-S996 WeakPolarHBondContact CB-OG 3.37Å; N993-S996 PolarHBondContact O-N 3.07Å; N993-S996 PolarHBondContact O-OG 3.29Å; S996-R1019 PolarHBondContact O-NH1 2.75Å
997	S	65.7	Low	67.5	Low	13 Å²	13	59.1 Å²	59.1	9%	0.091	34%	0.337	C	S	.	.			trans	-95.7	120.6	-174.1	51.4	0	0	0	0	113.4	L949 Y950 A994	L949-S997 PolarHBondContact N-O 2.97Å; Y950-S997 PolarHBondContact N-O 2.98Å; A994-S997 PolarHBondContact O-OG 2.81Å
998	G	78.5	Confident	65.4	Low	0 Å²	0	60 Å²	60	0%	0	35%	0.352	C	S	.	.			trans	72.3	127.6	154.4	0	0	0	0	0	117.5	S948 L949 Y950 F985 C986	S948-G998 CarbonylContact C-O 3.38Å; S948-G998 WeakPolarHBondContact CA-O 3.38Å; L949-G998 PolarHBondContact N-O 2.68Å; Y950-G998 WeakPolarHBondContact CB-O 3.31Å; Y950-G998 PolarHBondContact N-O 3.18Å; F985-G998 VanDerWaalsContact CZ-CA 3.41Å; C986-G998 CarbonylContact O-C 3.58Å; C986-G998 WeakPolarHBondContact O-CA 3.49Å
999	S	84.9	Confident	63.2	Low	3 Å²	3	62.4 Å²	62.4	2%	0.021	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	121.1	169.1	-56.1	0	0	0	0	109.3	S948 Y950 F985 C986	S948-S999 WeakPolarHBondContact OG-CA 3.39Å; Y950-S999 VanDerWaalsContact C-OG 3.24Å; Y950-S999 WeakPolarHBondContact CB-OG 3.23Å; Y950-S999 WeakPolarHBondContact CD1-OG 3.44Å; Y950-S999 PolarHBondContact O-OG 3.21Å; F985-S999 CarbonylContact C-O 3.48Å; C986-S999 PolarHBondContact N-O 3.19Å; C986-S999 PolarHBondContact O-N 3.35Å
1000	C	85.8	Confident	61.5	Low	7 Å²	7	65 Å²	65	5%	0.047	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	127.8	161.3	-164.4	0	0	0	0	108.5	S948 C969 A971 C977 F985	S948-C1000 PolarHBondContact OG-N 2.65Å; S948-C1000 VanDerWaalsContact OG-N 3.13Å; C969-C1000 HydrophobicContact CB-CB 4.34Å; A971-C1000 HydrophobicContact CB-CB 3.92Å; C977-C1000 VanDerWaalsContact CA-SG 3.57Å; C977-C1000 HydrophobicContact CB-CB 3.83Å; C977-C1000 WeakPolarHBondContact CB-SG 3.48Å; C977-C1000 VanDerWaalsContact SG-CA 3.53Å; C977-C1000 WeakPolarHBondContact SG-CB 3.46Å; C977-C1000 CovalentContact SG-SG 2.03Å; C977-C1000 PolarHBondContact SG-SG 3.29Å; F985-C1000 HydrophobicContact CD2-CB 4.43Å
1001	V	83.2	Confident	60.4	Low	2 Å²	2	63.4 Å²	63.4	1%	0.012	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	152.9	-178.2	-67.5	0	0	0	0	111.7	E952 C969 C983 G984 C986 A1015 Y1017 F1044	E952-V1001 HydrophobicContact CB-CG1 4.17Å; E952-V1001 HydrophobicContact CG-CG1 3.79Å; C969-V1001 VanDerWaalsContact SG-C 3.5Å; C983-V1001 WeakPolarHBondContact CA-O 3.28Å; G984-V1001 PolarHBondContact N-O 3.47Å; G984-V1001 PolarHBondContact O-N 3.43Å; G984-V1001 VanDerWaalsContact O-O 3.09Å; C986-V1001 HydrophobicContact CB-CG2 4.04Å; V1001-A1015 HydrophobicContact CG2-CB 3.56Å; V1001-Y1017 HydrophobicContact CB-CE1 4.38Å; V1001-Y1017 HydrophobicContact CG1-CE1 4.5Å; V1001-Y1017 HydrophobicContact CG1-CE2 4.26Å; V1001-F1044 HydrophobicContact CG2-CE2 3.81Å
1002	S	80.8	Confident	59.9	Low	10 Å²	10	64.3 Å²	64.3	7%	0.07	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	147	176.7	44.2	0	0	0	0	113.8	D967 C969 D982 A1016	D967-S1002 WeakPolarHBondContact OD1-CB 3.46Å; D967-S1002 PolarHBondContact OD1-N 2.91Å; D967-S1002 PolarHBondContact OD1-OG 2.72Å; C969-S1002 VanDerWaalsContact SG-CA 3.55Å; C969-S1002 PolarHBondContact SG-N 3.36Å; D982-S1002 WeakPolarHBondContact O-CA 3.44Å; S1002-A1016 WeakPolarHBondContact O-CB 3.32Å; S1002-A1016 PolarHBondContact O-N 2.93Å
1003	V	75.8	Confident	60.1	Low	15 Å²	15	56 Å²	56	9%	0.091	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-83.7	134.7	176.1	-173	0	0	0	0	109.8	D982 F1044 Y1046	D982-V1003 PolarHBondContact O-N 3.17Å; V1003-F1044 HydrophobicContact CB-CZ 4.48Å; V1003-F1044 HydrophobicContact CG1-CE1 4.34Å; V1003-F1044 HydrophobicContact CG2-CE1 4.1Å; V1003-F1044 HydrophobicContact CG2-CZ 3.85Å; V1003-Y1046 HydrophobicContact CG2-CD2 3.65Å; V1003-Y1046 HydrophobicContact CG2-CE2 3.78Å; V1003-Y1046 HydrophobicContact CG2-CG 4.32Å
1004	Y	69.4	Low	60.5	Low	110 Å²	110	52.2 Å²	52.2	43%	0.431	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-64.1	146.5	173.4	-170.4	-125.5	0	0	0	111.2	I1012 Y1014	Y1004-I1012 HydrophobicContact CD1-CG2 3.59Å; Y1004-I1012 HydrophobicContact CG-CG2 4.08Å; Y1004-I1012 WeakPolarHBondContact O-CG2 3.46Å; Y1004-Y1014 PolarHBondContact N-O 2.84Å
1005	R	60.8	Low	61.5	Low	147 Å²	147	48.7 Å²	48.7	56%	0.555	29%	0.288	S	S	*	.			trans	-141.4	92.1	175.9	-70.1	-173.3	178.8	150.8	3.1	111.6	P981 D982	P981-R1005 PolarHBondContact O-NH2 3.39Å; P981-R1005 VanDerWaalsContact O-NH2 3.1Å; D982-R1005 IonicContact OD1-CZ 3.27Å; D982-R1005 IonicContact OD1-NH1 2.68Å; D982-R1005 PolarHBondContact OD1-NH1 3.08Å; D982-R1005 IonicContact OD1-NH2 3.98Å; D982-R1005 PolarHBondContact OD1-NH2 3.39Å
1006	S	53.1	Low	62.4	Low	54 Å²	54	45.1 Å²	45.1	38%	0.378	26%	0.264	S	S	.	.			trans	-88.2	139.2	169.4	-170.1	0	0	0	0	111.8	G1008 I1012	S1006-G1008 PolarHBondContact O-N 3.46Å; S1006-G1008 VanDerWaalsContact O-N 3.08Å; S1006-I1012 WeakPolarHBondContact O-CD1 3.45Å
1007	G	43.7	Very low	63.1	Low	88 Å²	88	44.4 Å²	44.4	91%	0.907	26%	0.257	S	S	*	.	S	Bend	trans	-79.7	26.6	-172.3	0	0	0	0	0	116.3
1008	G	38.1	Very low	63.5	Low	36 Å²	36	44.4 Å²	44.4	37%	0.371	26%	0.259	S	S	.	.	S	Bend	trans	-162.6	133	-176.5	0	0	0	0	0	113.8	S1006	S1006-G1008 PolarHBondContact O-N 3.46Å; S1006-G1008 VanDerWaalsContact O-N 3.08Å
1009	S	31.2	Very low	63.4	Low	92 Å²	92	45.8 Å²	45.8	64%	0.643	27%	0.265	S	S	*	.	S	Bend	trans	20.7	113.8	163.8	60.4	0	0	0	0	119.1
1010	E	36.9	Very low	63.1	Low	128 Å²	128	45.6 Å²	45.6	60%	0.598	26%	0.264	S	S	*	.	S	Bend	trans	73.1	149	164.2	-41.1	174.1	138.3	0	0	115.2	K1033	E1010-K1033 IonicContact OE2-NZ 2.71Å; E1010-K1033 PolarHBondContact OE2-NZ 3.39Å
1011	L	44.8	Very low	62.5	Low	60 Å²	60	45.9 Å²	45.9	31%	0.314	27%	0.265	S	S	.	.			trans	68.9	71.4	173.6	-59	78.1	0	0	0	119.1	Y1014 K1033 I1035	L1011-Y1014 HydrophobicContact CB-CE2 3.98Å; L1011-K1033 HydrophobicContact CD1-CD 4.37Å; L1011-I1035 HydrophobicContact CB-CD1 4.41Å; L1011-I1035 HydrophobicContact CD1-CD1 4.49Å; L1011-I1035 HydrophobicContact CD2-CB 4.41Å; L1011-I1035 HydrophobicContact CD2-CD1 3.71Å; L1011-I1035 HydrophobicContact CD2-CG1 3.65Å; L1011-I1035 HydrophobicContact CD2-CG2 3.93Å; L1011-I1035 HydrophobicContact CG-CD1 3.53Å; L1011-I1035 HydrophobicContact CG-CG1 4.03Å
1012	I	49.6	Very low	61.6	Low	52 Å²	52	47.1 Å²	47.1	27%	0.267	27%	0.274	S	S	.	.			trans	-151.3	73.4	162.8	9.2	171.1	0	0	0	117.1	Y1004 S1006 Y1014	Y1004-I1012 HydrophobicContact CD1-CG2 3.59Å; Y1004-I1012 HydrophobicContact CG-CG2 4.08Å; Y1004-I1012 WeakPolarHBondContact O-CG2 3.46Å; S1006-I1012 WeakPolarHBondContact O-CD1 3.45Å; I1012-Y1014 HydrophobicContact CG2-CD2 4.45Å
1013	D	61.2	Low	60.5	Low	68 Å²	68	52.3 Å²	52.3	36%	0.364	30%	0.295	S	S	.	.	S	Bend	trans	-122	62.1	150.3	-91.3	-21.6	0	0	0	107.1	F1044 Y1046	D1013-F1044 WeakPolarHBondContact O-CD1 3.42Å; D1013-Y1046 VanDerWaalsContact OD1-CD1 3.28Å; D1013-Y1046 WeakPolarHBondContact OD1-CD1 3.27Å
1014	Y	66	Low	59.3	Low	22 Å²	22	59.1 Å²	59.1	9%	0.086	33%	0.33	C	S	.	.	S	Bend	trans	-127.8	151.8	-179	-55.6	-73.6	0	0	0	110.8	Y1004 L1011 I1012 P1022 I1035 Y1037	Y1004-Y1014 PolarHBondContact N-O 2.84Å; L1011-Y1014 HydrophobicContact CB-CE2 3.98Å; I1012-Y1014 HydrophobicContact CG2-CD2 4.45Å; Y1014-P1022 HydrophobicContact CD1-CB 4.17Å; Y1014-P1022 HydrophobicContact CD1-CG 4.08Å; Y1014-P1022 HydrophobicContact CD2-CG 4.06Å; Y1014-P1022 HydrophobicContact CE1-CB 4.37Å; Y1014-P1022 HydrophobicContact CG-CB 4.45Å; Y1014-P1022 HydrophobicContact CG-CG 3.86Å; Y1014-I1035 HydrophobicContact CE1-CG2 4Å; Y1014-I1035 HydrophobicContact CE2-CG2 4.43Å; Y1014-I1035 WeakPolarHBondContact OH-CD1 3.35Å; Y1014-Y1037 HydrophobicContact CD1-CD1 4.15Å; Y1014-Y1037 AromaticContact CD1-CE1 3.45Å; Y1014-Y1037 HydrophobicContact CD1-CE1 3.45Å; Y1014-Y1037 VanDerWaalsContact CD1-CE1 3.45Å; Y1014-Y1037 AromaticContact CD1-CZ 3.81Å; Y1014-Y1037 HydrophobicContact CE1-CD1 4.41Å; Y1014-Y1037 AromaticContact CE1-CE1 3.66Å; Y1014-Y1037 HydrophobicContact CE1-CE1 3.66Å; Y1014-Y1037 HydrophobicContact CE1-CE2 4.17Å; Y1014-Y1037 AromaticContact CE1-CZ 3.5Å; Y1014-Y1037 WeakPolarHBondContact CE1-OH 3.48Å
1015	A	73.8	Confident	58.1	Low	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-65.2	140.4	166.3	0	0	0	0	0	110.3	V1001 Y1017 C1020 S1021 F1044	V1001-A1015 HydrophobicContact CG2-CB 3.56Å; A1015-Y1017 WeakPolarHBondContact CB-O 3.33Å; A1015-Y1017 PolarHBondContact O-N 3.34Å; A1015-C1020 HydrophobicContact CB-CB 3.62Å; A1015-C1020 PolarHBondContact N-O 2.94Å; A1015-S1021 PolarHBondContact O-OG 3.08Å; A1015-F1044 HydrophobicContact CB-CD2 4.12Å; A1015-F1044 HydrophobicContact CB-CE2 3.81Å; A1015-F1044 HydrophobicContact CB-CZ 4.3Å
1016	A	71.5	Confident	57.2	Low	14 Å²	14	64.3 Å²	64.3	12%	0.116	37%	0.366	C	S	.	.	S	Bend	trans	-57.7	-29.2	175.7	0	0	0	0	0	112.5	S1002	S1002-A1016 WeakPolarHBondContact O-CB 3.32Å; S1002-A1016 PolarHBondContact O-N 2.93Å
1017	Y	70.5	Confident	56.7	Low	11 Å²	11	67 Å²	67	4%	0.043	38%	0.381	C	S	.	.	S	Bend	trans	-153.5	-178.4	178.6	64.5	-81.9	0	0	0	110.2	E952 F963 A964 D967 V1001 A1015	E952-Y1017 HydrophobicContact CB-CD2 4.09Å; E952-Y1017 HydrophobicContact CB-CE2 3.69Å; F963-Y1017 HydrophobicContact CB-CD1 3.75Å; F963-Y1017 HydrophobicContact CB-CE1 4.41Å; F963-Y1017 HydrophobicContact CB-CG 4.02Å; A964-Y1017 HydrophobicContact CB-CD2 4.07Å; A964-Y1017 HydrophobicContact CB-CE2 3.6Å; D967-Y1017 HydrophobicContact CB-CE1 4.14Å; D967-Y1017 WeakPolarHBondContact CB-OH 3.39Å; D967-Y1017 PolarHBondContact OD2-OH 3.27Å; V1001-Y1017 HydrophobicContact CB-CE1 4.38Å; V1001-Y1017 HydrophobicContact CG1-CE1 4.5Å; V1001-Y1017 HydrophobicContact CG1-CE2 4.26Å; A1015-Y1017 WeakPolarHBondContact CB-O 3.33Å; A1015-Y1017 PolarHBondContact O-N 3.34Å
1018	G	74	Confident	56.7	Low	13 Å²	13	67.4 Å²	67.4	13%	0.134	37%	0.365	C	S	.	.	S	Bend	trans	74.6	-167.3	177.4	0	0	0	0	0	114.5	E952 C1020 S1021	E952-G1018 VanDerWaalsContact OE2-CA 3.27Å; E952-G1018 WeakPolarHBondContact OE2-CA 3.48Å; G1018-C1020 PolarHBondContact O-N 3.22Å; G1018-C1020 VanDerWaalsContact O-N 3.16Å; G1018-S1021 WeakPolarHBondContact O-CB 3.48Å; G1018-S1021 PolarHBondContact O-N 2.95Å
1019	R	76.8	Confident	56.9	Low	29 Å²	29	73.4 Å²	73.4	11%	0.109	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-32.9	-171.6	-65.7	173.4	-62.1	174.9	0.3	113.8	Y950 E952 S996 S1021 V1042	Y950-R1019 VanDerWaalsContact CD1-CZ 3.45Å; Y950-R1019 VanDerWaalsContact CE1-CZ 3.45Å; E952-R1019 IonicContact OE1-CZ 3.27Å; E952-R1019 IonicContact OE1-NE 3.06Å; E952-R1019 PolarHBondContact OE1-NE 3.28Å; E952-R1019 IonicContact OE1-NH2 3.01Å; E952-R1019 PolarHBondContact OE1-NH2 3.03Å; E952-R1019 WeakPolarHBondContact OE2-CG 3.37Å; E952-R1019 PolarHBondContact OE2-N 3.39Å; E952-R1019 IonicContact OE2-NE 3.79Å; S996-R1019 PolarHBondContact O-NH1 2.75Å; R1019-S1021 VanDerWaalsContact C-N 3.29Å; R1019-S1021 PolarHBondContact O-N 3.25Å; R1019-V1042 HydrophobicContact CB-CB 4.42Å; R1019-V1042 HydrophobicContact CB-CG1 3.84Å; R1019-V1042 HydrophobicContact CB-CG2 4.03Å; R1019-V1042 WeakPolarHBondContact O-CG2 3.38Å
1020	C	77.1	Confident	57.5	Low	0 Å²	0	73.1 Å²	73.1	0%	0	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	16.5	-176.8	-68.7	0	0	0	0	114.6	C986 A1015 G1018 V1042 F1044	C986-C1020 VanDerWaalsContact CA-SG 3.53Å; C986-C1020 HydrophobicContact CB-CB 3.82Å; C986-C1020 WeakPolarHBondContact CB-SG 3.47Å; C986-C1020 WeakPolarHBondContact SG-CB 3.31Å; C986-C1020 CovalentContact SG-SG 2.04Å; C986-C1020 PolarHBondContact SG-SG 3.41Å; A1015-C1020 HydrophobicContact CB-CB 3.62Å; A1015-C1020 PolarHBondContact N-O 2.94Å; G1018-C1020 PolarHBondContact O-N 3.22Å; G1018-C1020 VanDerWaalsContact O-N 3.16Å; C1020-V1042 HydrophobicContact CB-CG2 4.45Å; C1020-F1044 HydrophobicContact CB-CB 4.05Å; C1020-F1044 HydrophobicContact CB-CD2 3.98Å; C1020-F1044 HydrophobicContact CB-CG 4.28Å
1021	S	73.3	Confident	57.4	Low	12 Å²	12	70.2 Å²	70.2	8%	0.084	40%	0.403	C	S	.	.			trans	-95.7	149.9	177	-152.9	0	0	0	0	112.4	A1015 G1018 R1019 V1038	A1015-S1021 PolarHBondContact O-OG 3.08Å; G1018-S1021 WeakPolarHBondContact O-CB 3.48Å; G1018-S1021 PolarHBondContact O-N 2.95Å; R1019-S1021 VanDerWaalsContact C-N 3.29Å; R1019-S1021 PolarHBondContact O-N 3.25Å; S1021-V1038 WeakPolarHBondContact O-CG2 3.14Å; S1021-V1038 PolarHBondContact O-N 3.24Å; S1021-V1038 VanDerWaalsContact O-N 3.15Å
1022	P	65	Low	56.8	Low	29 Å²	29	74.6 Å²	74.6	19%	0.188	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	154.4	-175.4	35.8	-34.8	0	0	0	114.4	Y1014 I1035	Y1014-P1022 HydrophobicContact CD1-CB 4.17Å; Y1014-P1022 HydrophobicContact CD1-CG 4.08Å; Y1014-P1022 HydrophobicContact CD2-CG 4.06Å; Y1014-P1022 HydrophobicContact CE1-CB 4.37Å; Y1014-P1022 HydrophobicContact CG-CB 4.45Å; Y1014-P1022 HydrophobicContact CG-CG 3.86Å; P1022-I1035 HydrophobicContact CB-CG2 3.78Å
1023	K	58	Low	56.3	Low	118 Å²	118	77.5 Å²	77.5	51%	0.513	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	118.8	170.4	-79.3	176.7	170	172.1	0	111.3	H1036 V1038	K1023-H1036 PolarHBondContact N-O 2.8Å; K1023-V1038 HydrophobicContact CD-CG2 4.27Å; K1023-V1038 HydrophobicContact CG-CG2 3.96Å
1024	L	51.5	Low	55.3	Low	158 Å²	158	80.9 Å²	80.9	83%	0.827	44%	0.443	S	S	*	.			trans	-78.8	132.2	173.2	-73.5	115.4	0	0	0	112.3
1025	K	43.9	Very low	54.4	Low	205 Å²	205	82.6 Å²	82.6	89%	0.891	45%	0.454	S	S	*	.			trans	-135.3	158.7	165	-89.8	-170.5	173.1	-175	0	110.1
1026	N	41.5	Very low	53.1	Low	161 Å²	161	88.7 Å²	88.7	86%	0.861	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-61	149.5	-165.8	-72	-10.5	0	0	0	115.6
1027	V	41.9	Very low	52.3	Low	112 Å²	112	91.7 Å²	91.7	68%	0.679	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-67.4	128.4	179.8	179.5	0	0	0	0	111.6
1028	T	43.2	Very low	51.5	Low	95 Å²	95	94.6 Å²	94.6	58%	0.583	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-91.3	156.3	169.4	50.5	0	0	0	0	111.6	A1030 G1031	T1028-A1030 PolarHBondContact O-N 2.96Å; T1028-G1031 PolarHBondContact O-N 3.36Å
1029	T	42.2	Very low	50.7	Low	163 Å²	163	96.5 Å²	96.5	100%	1	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	13.2	-171.1	27.9	0	0	0	0	116.7
1030	A	43.8	Very low	49.9	Very low	86 Å²	86	100.7 Å²	100.7	71%	0.711	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117	10	-179.8	0	0	0	0	0	114.3	T1028 K1032	T1028-A1030 PolarHBondContact O-N 2.96Å; A1030-K1032 PolarHBondContact O-N 3.36Å
1031	G	36.8	Very low	49.6	Very low	67 Å²	67	106.8 Å²	106.8	69%	0.691	57%	0.574	S	S	*	*			trans	74.7	-12.7	167	0	0	0	0	0	117.4	T1028	T1028-G1031 PolarHBondContact O-N 3.36Å
1032	K	31.8	Very low	49.6	Very low	152 Å²	152	106.6 Å²	106.6	66%	0.661	57%	0.572	S	S	*	*			trans	-79.9	121	172.1	-78	-171.9	171.9	-172.8	0	111.7	A1030	A1030-K1032 PolarHBondContact O-N 3.36Å
1033	K	39.5	Very low	50.1	Low	113 Å²	113	107.1 Å²	107.1	49%	0.491	58%	0.575	S	S	.	*			trans	-93.3	105.9	163.4	-66.3	175.2	-174.7	167	0	109.1	E1010 L1011	E1010-K1033 IonicContact OE2-NZ 2.71Å; E1010-K1033 PolarHBondContact OE2-NZ 3.39Å; L1011-K1033 HydrophobicContact CD1-CD 4.37Å
1034	E	38.9	Very low	51.1	Low	138 Å²	138	102.4 Å²	102.4	65%	0.645	56%	0.555	S	S	*	*			trans	-88.8	147.8	164.9	-75.9	-176.8	175.6	0	0	110.6
1035	I	47.9	Very low	52.2	Low	58 Å²	58	95 Å²	95	30%	0.297	52%	0.516	S	S	.	.			trans	-122.2	99.4	-164.5	-45.4	163.7	0	0	0	108.3	L1011 Y1014 P1022 Y1037	L1011-I1035 HydrophobicContact CB-CD1 4.41Å; L1011-I1035 HydrophobicContact CD1-CD1 4.49Å; L1011-I1035 HydrophobicContact CD2-CB 4.41Å; L1011-I1035 HydrophobicContact CD2-CD1 3.71Å; L1011-I1035 HydrophobicContact CD2-CG1 3.65Å; L1011-I1035 HydrophobicContact CD2-CG2 3.93Å; L1011-I1035 HydrophobicContact CG-CD1 3.53Å; L1011-I1035 HydrophobicContact CG-CG1 4.03Å; Y1014-I1035 HydrophobicContact CE1-CG2 4Å; Y1014-I1035 HydrophobicContact CE2-CG2 4.43Å; Y1014-I1035 WeakPolarHBondContact OH-CD1 3.35Å; P1022-I1035 HydrophobicContact CB-CG2 3.78Å; I1035-Y1037 PolarHBondContact O-N 3.03Å
1036	H	45.8	Very low	53.8	Low	128 Å²	128	86.7 Å²	86.7	59%	0.593	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	114.8	179.9	-61.5	-73.4	0	0	0	110.6	K1023	K1023-H1036 PolarHBondContact N-O 2.8Å
1037	Y	54.7	Low	55.3	Low	77 Å²	77	80.3 Å²	80.3	30%	0.302	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	151.7	162.5	-67.1	-90.6	0	0	0	110.4	Y1014 I1035 N1039	Y1014-Y1037 HydrophobicContact CD1-CD1 4.15Å; Y1014-Y1037 AromaticContact CD1-CE1 3.45Å; Y1014-Y1037 HydrophobicContact CD1-CE1 3.45Å; Y1014-Y1037 VanDerWaalsContact CD1-CE1 3.45Å; Y1014-Y1037 AromaticContact CD1-CZ 3.81Å; Y1014-Y1037 HydrophobicContact CE1-CD1 4.41Å; Y1014-Y1037 AromaticContact CE1-CE1 3.66Å; Y1014-Y1037 HydrophobicContact CE1-CE1 3.66Å; Y1014-Y1037 HydrophobicContact CE1-CE2 4.17Å; Y1014-Y1037 AromaticContact CE1-CZ 3.5Å; Y1014-Y1037 WeakPolarHBondContact CE1-OH 3.48Å; I1035-Y1037 PolarHBondContact O-N 3.03Å; Y1037-N1039 PolarHBondContact O-N 2.84Å; Y1037-N1039 VanDerWaalsContact O-N 3.14Å
1038	V	53.6	Low	57.1	Low	73 Å²	73	75.5 Å²	75.5	44%	0.442	42%	0.421	S	S	.	.	S	Bend	trans	-55.8	-30.5	174.1	176.4	0	0	0	0	111.8	S1021 K1023	S1021-V1038 WeakPolarHBondContact O-CG2 3.14Å; S1021-V1038 PolarHBondContact O-N 3.24Å; S1021-V1038 VanDerWaalsContact O-N 3.15Å; K1023-V1038 HydrophobicContact CD-CG2 4.27Å; K1023-V1038 HydrophobicContact CG-CG2 3.96Å
1039	N	58.4	Low	58.7	Low	52 Å²	52	71 Å²	71	28%	0.278	39%	0.394	S	S	.	.	S	Bend	trans	-138.4	119.2	176	-174.9	-16.3	0	0	0	110.2	Y1037 K1041 V1042	Y1037-N1039 PolarHBondContact O-N 2.84Å; Y1037-N1039 VanDerWaalsContact O-N 3.14Å; N1039-K1041 PolarHBondContact O-N 3.48Å; N1039-K1041 WeakPolarHBondContact OD1-CB 3.41Å; N1039-K1041 PolarHBondContact OD1-N 3.32Å; N1039-K1041 VanDerWaalsContact OD1-N 3.08Å; N1039-V1042 WeakPolarHBondContact O-CG2 3.46Å; N1039-V1042 PolarHBondContact O-N 2.88Å
1040	P	60.2	Low	60.3	Low	117 Å²	117	65.5 Å²	65.5	76%	0.76	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-0.2	-178.5	29.4	-35.9	0	0	0	114.4
1041	K	69.5	Low	62.1	Low	128 Å²	128	62.4 Å²	62.4	56%	0.557	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	1.1	-179	-60.8	-177.3	179.6	177.8	0	114.8	M988 P989 N1039	M988-K1041 HydrophobicContact CE-CB 3.75Å; M988-K1041 HydrophobicContact CE-CD 3.78Å; M988-K1041 HydrophobicContact CE-CG 4.43Å; M988-K1041 WeakPolarHBondContact CG-O 3.43Å; P989-K1041 VanDerWaalsContact CD-O 3.25Å; P989-K1041 WeakPolarHBondContact CD-O 3.16Å; N1039-K1041 PolarHBondContact O-N 3.48Å; N1039-K1041 WeakPolarHBondContact OD1-CB 3.41Å; N1039-K1041 PolarHBondContact OD1-N 3.32Å; N1039-K1041 VanDerWaalsContact OD1-N 3.08Å
1042	V	73.1	Confident	64.2	Low	8 Å²	8	63.6 Å²	63.6	5%	0.048	33%	0.332	C	S	.	.			trans	-104.2	152.6	175.2	-62.9	0	0	0	0	111.8	F987 M988 R1019 C1020 N1039	F987-V1042 CarbonylContact O-C 3.47Å; F987-V1042 WeakPolarHBondContact O-CA 3.29Å; M988-V1042 HydrophobicContact CB-CG1 4.3Å; R1019-V1042 HydrophobicContact CB-CB 4.42Å; R1019-V1042 HydrophobicContact CB-CG1 3.84Å; R1019-V1042 HydrophobicContact CB-CG2 4.03Å; R1019-V1042 WeakPolarHBondContact O-CG2 3.38Å; C1020-V1042 HydrophobicContact CB-CG2 4.45Å; N1039-V1042 WeakPolarHBondContact O-CG2 3.46Å; N1039-V1042 PolarHBondContact O-N 2.88Å
1043	V	76	Confident	66.7	Low	40 Å²	40	60.5 Å²	60.5	24%	0.242	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	140.6	178.3	-177.4	0	0	0	0	108.9	C986 F987 P989	C986-V1043 WeakPolarHBondContact CA-O 3.23Å; F987-V1043 HydrophobicContact CE1-CB 4.39Å; F987-V1043 PolarHBondContact N-O 3.09Å; F987-V1043 PolarHBondContact O-N 3.2Å; P989-V1043 HydrophobicContact CG-CB 4.2Å; P989-V1043 HydrophobicContact CG-CG2 3.51Å
1044	F	79.3	Confident	68.7	Low	20 Å²	20	56.1 Å²	56.1	9%	0.088	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	112.1	178.7	-170.4	-117.4	0	0	0	109.5	C986 V1001 V1003 D1013 A1015 C1020	C986-F1044 HydrophobicContact CB-CD2 4.11Å; V1001-F1044 HydrophobicContact CG2-CE2 3.81Å; V1003-F1044 HydrophobicContact CB-CZ 4.48Å; V1003-F1044 HydrophobicContact CG1-CE1 4.34Å; V1003-F1044 HydrophobicContact CG2-CE1 4.1Å; V1003-F1044 HydrophobicContact CG2-CZ 3.85Å; D1013-F1044 WeakPolarHBondContact O-CD1 3.42Å; A1015-F1044 HydrophobicContact CB-CD2 4.12Å; A1015-F1044 HydrophobicContact CB-CE2 3.81Å; A1015-F1044 HydrophobicContact CB-CZ 4.3Å; C1020-F1044 HydrophobicContact CB-CB 4.05Å; C1020-F1044 HydrophobicContact CB-CD2 3.98Å; C1020-F1044 HydrophobicContact CB-CG 4.28Å
1045	D	75.3	Confident	70.9	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.011	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	121.2	175.6	-78.4	-6.1	0	0	0	109.9	R884 G984 F985 F987 F1048 S1050	R884-D1045 IonicContact CZ-OD1 3.16Å; R884-D1045 IonicContact CZ-OD2 3.47Å; R884-D1045 IonicContact NE-OD1 3.62Å; R884-D1045 PolarHBondContact NE-OD1 3.34Å; R884-D1045 IonicContact NE-OD2 3.07Å; R884-D1045 IonicContact NH2-OD1 3.66Å; R884-D1045 PolarHBondContact NH2-OD1 3.43Å; R884-D1045 IonicContact NH2-OD2 2.72Å; R884-D1045 PolarHBondContact NH2-OD2 3.38Å; G984-D1045 CarbonylContact C-O 3.25Å; G984-D1045 VanDerWaalsContact CA-O 3.25Å; G984-D1045 WeakPolarHBondContact CA-O 3.1Å; F985-D1045 PolarHBondContact N-O 3.25Å; F985-D1045 PolarHBondContact O-N 3.4Å; F987-D1045 WeakPolarHBondContact CE1-OD2 3.4Å; D1045-F1048 HydrophobicContact CB-CD2 4.17Å; D1045-F1048 HydrophobicContact CB-CE2 3.63Å; D1045-F1048 HydrophobicContact CB-CZ 3.82Å; D1045-F1048 WeakPolarHBondContact OD1-CE2 3.23Å; D1045-F1048 WeakPolarHBondContact OD1-CZ 3.4Å; D1045-S1050 VanDerWaalsContact OD2-CB 3.27Å; D1045-S1050 WeakPolarHBondContact OD2-CB 3.41Å; D1045-S1050 PolarHBondContact OD2-N 3.07Å
1046	Y	76.7	Confident	72.9	Confident	30 Å²	30	55.3 Å²	55.3	12%	0.118	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	117	-177.4	172	-124.5	0	0	0	112.3	R643 P981 C983 V1003 D1013 F1048	R643-Y1046 PolarHBondContact NH2-OH 3.05Å; P981-Y1046 PolarHBondContact O-OH 3.28Å; P981-Y1046 VanDerWaalsContact O-OH 3.06Å; C983-Y1046 VanDerWaalsContact O-CD2 3.3Å; C983-Y1046 WeakPolarHBondContact O-CD2 3.35Å; V1003-Y1046 HydrophobicContact CG2-CD2 3.65Å; V1003-Y1046 HydrophobicContact CG2-CE2 3.78Å; V1003-Y1046 HydrophobicContact CG2-CG 4.32Å; D1013-Y1046 VanDerWaalsContact OD1-CD1 3.28Å; D1013-Y1046 WeakPolarHBondContact OD1-CD1 3.27Å; Y1046-F1048 VanDerWaalsContact C-N 3.32Å; Y1046-F1048 WeakPolarHBondContact O-CD1 3.45Å; Y1046-F1048 WeakPolarHBondContact O-CE1 3.19Å; Y1046-F1048 PolarHBondContact O-N 2.91Å
1047	G	72.1	Confident	74.9	Confident	27 Å²	27	49.2 Å²	49.2	28%	0.278	26%	0.261	S	S	.	.	S	Bend	trans	75.3	14.2	178.6	0	0	0	0	0	115.3
1048	F	79.6	Confident	76.4	Confident	11 Å²	11	46.5 Å²	46.5	5%	0.048	25%	0.252	C	S	.	.	S	Bend	trans	-153.4	165.1	173.1	62.2	-89	0	0	0	109.4	K879 R884 D1045 Y1046	K879-F1048 HydrophobicContact CG-CD1 4.27Å; K879-F1048 WeakPolarHBondContact O-CB 3.27Å; R884-F1048 HydrophobicContact CB-CZ 4.47Å; R884-F1048 HydrophobicContact CG-CE2 3.67Å; R884-F1048 HydrophobicContact CG-CZ 3.68Å; D1045-F1048 HydrophobicContact CB-CD2 4.17Å; D1045-F1048 HydrophobicContact CB-CE2 3.63Å; D1045-F1048 HydrophobicContact CB-CZ 3.82Å; D1045-F1048 WeakPolarHBondContact OD1-CE2 3.23Å; D1045-F1048 WeakPolarHBondContact OD1-CZ 3.4Å; Y1046-F1048 VanDerWaalsContact C-N 3.32Å; Y1046-F1048 WeakPolarHBondContact O-CD1 3.45Å; Y1046-F1048 WeakPolarHBondContact O-CE1 3.19Å; Y1046-F1048 PolarHBondContact O-N 2.91Å
1049	C	78.5	Confident	77.9	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.007	24%	0.244	C	C	.	.			trans	-122.6	121.6	169.1	-174.2	0	0	0	0	110	C974 D975 T1051 S1054	C974-C1049 VanDerWaalsContact C-SG 3.6Å; C974-C1049 HydrophobicContact CB-CB 4.17Å; C974-C1049 WeakPolarHBondContact CB-SG 3.41Å; C974-C1049 WeakPolarHBondContact SG-CA 3.39Å; C974-C1049 WeakPolarHBondContact SG-CB 3.29Å; C974-C1049 CovalentContact SG-SG 2.04Å; C974-C1049 PolarHBondContact SG-SG 3.28Å; D975-C1049 HydrophobicContact CB-CB 4.5Å; C1049-T1051 HydrophobicContact CB-CG2 4.45Å; C1049-T1051 PolarHBondContact O-N 3.48Å; C1049-S1054 PolarHBondContact O-OG 3.35Å
1050	S	75.9	Confident	79.3	Confident	47 Å²	47	42.1 Å²	42.1	33%	0.329	23%	0.231	S	C	.	.			trans	-75.9	112.8	176.9	-164	0	0	0	0	110.2	D1045	D1045-S1050 VanDerWaalsContact OD2-CB 3.27Å; D1045-S1050 WeakPolarHBondContact OD2-CB 3.41Å; D1045-S1050 PolarHBondContact OD2-N 3.07Å
1051	T	80.5	Confident	80.7	Confident	22 Å²	22	36.6 Å²	36.6	14%	0.135	20%	0.195	C	C	.	.			trans	-137.3	165.5	-179.5	69.1	0	0	0	0	111.4	I941 C1049 Y1053 S1054	I941-T1051 HydrophobicContact CG2-CG2 4.06Å; C1049-T1051 HydrophobicContact CB-CG2 4.45Å; C1049-T1051 PolarHBondContact O-N 3.48Å; T1051-Y1053 PolarHBondContact O-N 2.81Å; T1051-Y1053 PolarHBondContact OG1-N 3.19Å; T1051-S1054 PolarHBondContact N-OG 3.34Å; T1051-S1054 VanDerWaalsContact N-OG 3.12Å; T1051-S1054 VanDerWaalsContact O-CB 3.31Å; T1051-S1054 WeakPolarHBondContact O-CB 3.4Å; T1051-S1054 PolarHBondContact O-N 3.48Å; T1051-S1054 PolarHBondContact O-OG 3.1Å; T1051-S1054 VanDerWaalsContact O-OG 3.1Å; T1051-S1054 PolarHBondContact OG1-N 2.93Å
1052	S	81	Confident	81.4	Confident	92 Å²	92	32.9 Å²	32.9	64%	0.643	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-17	173.9	-51	0	0	0	0	114.2	W1055	S1052-W1055 VanDerWaalsContact O-CD1 3.3Å; S1052-W1055 PolarHBondContact O-NE1 3.49Å
1053	Y	83.5	Confident	82	Confident	87 Å²	87	34.6 Å²	34.6	34%	0.341	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	4.4	-177.1	-62.6	-73.1	0	0	0	114.1	L940 T944 T1051 W1055 V1056	L940-Y1053 HydrophobicContact CB-CD1 3.86Å; L940-Y1053 HydrophobicContact CB-CD2 3.99Å; L940-Y1053 HydrophobicContact CB-CE1 4.48Å; L940-Y1053 HydrophobicContact CB-CG 3.57Å; L940-Y1053 HydrophobicContact CD1-CD1 3.85Å; L940-Y1053 HydrophobicContact CD1-CE1 4.18Å; L940-Y1053 HydrophobicContact CD1-CG 4.44Å; L940-Y1053 HydrophobicContact CD2-CE1 4.48Å; L940-Y1053 HydrophobicContact CG-CD1 4.33Å; T944-Y1053 HydrophobicContact CG2-CD2 4.11Å; T944-Y1053 HydrophobicContact CG2-CE2 3.95Å; T944-Y1053 WeakPolarHBondContact OG1-CD2 3.44Å; T944-Y1053 WeakPolarHBondContact OG1-CE2 3.39Å; T1051-Y1053 PolarHBondContact O-N 2.81Å; T1051-Y1053 PolarHBondContact OG1-N 3.19Å; Y1053-W1055 PolarHBondContact O-N 2.99Å; Y1053-V1056 HydrophobicContact CD1-CG2 4.42Å; Y1053-V1056 PolarHBondContact O-N 3.06Å
1054	S	83.3	Confident	82.5	Confident	20 Å²	20	32.7 Å²	32.7	14%	0.14	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-18.6	179.6	-77.1	0	0	0	0	115.9	S881 C1049 T1051	S881-S1054 VanDerWaalsContact CB-O 3.23Å; S881-S1054 WeakPolarHBondContact CB-O 3.3Å; S881-S1054 WeakPolarHBondContact O-CA 3.44Å; S881-S1054 WeakPolarHBondContact O-CB 3.44Å; S881-S1054 PolarHBondContact O-OG 3.04Å; S881-S1054 PolarHBondContact OG-O 3.49Å; C1049-S1054 PolarHBondContact O-OG 3.35Å; T1051-S1054 PolarHBondContact N-OG 3.34Å; T1051-S1054 VanDerWaalsContact N-OG 3.12Å; T1051-S1054 VanDerWaalsContact O-CB 3.31Å; T1051-S1054 WeakPolarHBondContact O-CB 3.4Å; T1051-S1054 PolarHBondContact O-N 3.48Å; T1051-S1054 PolarHBondContact O-OG 3.1Å; T1051-S1054 VanDerWaalsContact O-OG 3.1Å; T1051-S1054 PolarHBondContact OG1-N 2.93Å
1055	W	84.4	Confident	82.8	Confident	166 Å²	166	31.7 Å²	31.7	63%	0.629	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-21.3	179.7	63.5	-90.2	0	0	0	114.3	S1052 Y1053 V1058 A1059	S1052-W1055 VanDerWaalsContact O-CD1 3.3Å; S1052-W1055 PolarHBondContact O-NE1 3.49Å; Y1053-W1055 PolarHBondContact O-N 2.99Å; W1055-V1058 WeakPolarHBondContact O-CB 3.45Å; W1055-V1058 PolarHBondContact O-N 3.43Å; W1055-A1059 HydrophobicContact CE3-CB 4.24Å; W1055-A1059 HydrophobicContact CZ3-CB 4.34Å; W1055-A1059 PolarHBondContact O-N 3.28Å
1056	V	88.6	Confident	83.1	Confident	14 Å²	14	33.1 Å²	33.1	9%	0.085	19%	0.185	C	C	.	.	H	α-helix	trans	-67.6	-42.5	-170.7	-172.1	0	0	0	0	112.8	L940 Y1053 V1058 A1059 G1060	L940-V1056 HydrophobicContact CD1-CG2 4.48Å; Y1053-V1056 HydrophobicContact CD1-CG2 4.42Å; Y1053-V1056 PolarHBondContact O-N 3.06Å; V1056-V1058 VanDerWaalsContact C-N 3.29Å; V1056-V1058 PolarHBondContact O-N 3.24Å; V1056-A1059 PolarHBondContact O-N 3.47Å; V1056-G1060 PolarHBondContact O-N 3.07Å
1057	P	87.7	Confident	83.1	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.5	-35.5	174.2	-25.3	36	0	0	0	113.7	F938 I941 G1060 S1061	F938-P1057 HydrophobicContact CD1-CG 3.91Å; F938-P1057 HydrophobicContact CD2-CB 3.96Å; F938-P1057 HydrophobicContact CD2-CG 3.89Å; F938-P1057 HydrophobicContact CE1-CB 4.16Å; F938-P1057 HydrophobicContact CE1-CG 3.86Å; F938-P1057 HydrophobicContact CE2-CB 3.49Å; F938-P1057 VanDerWaalsContact CE2-CB 3.49Å; F938-P1057 HydrophobicContact CE2-CG 3.85Å; F938-P1057 HydrophobicContact CG-CB 4.48Å; F938-P1057 HydrophobicContact CG-CG 3.93Å; F938-P1057 HydrophobicContact CZ-CB 3.6Å; F938-P1057 HydrophobicContact CZ-CG 3.83Å; I941-P1057 HydrophobicContact CD1-CG 3.68Å; P1057-G1060 PolarHBondContact O-N 3.4Å; P1057-S1061 PolarHBondContact O-N 3.21Å
1058	V	86.7	Confident	83.3	Confident	20 Å²	20	31.6 Å²	31.6	12%	0.121	17%	0.171	C	C	.	.	H	α-helix	trans	-63.5	-49.6	175.6	-174.8	0	0	0	0	109.3	S881 W1055 V1056 G1060 S1061 L1062	S881-V1058 WeakPolarHBondContact OG-CG2 3.31Å; W1055-V1058 WeakPolarHBondContact O-CB 3.45Å; W1055-V1058 PolarHBondContact O-N 3.43Å; V1056-V1058 VanDerWaalsContact C-N 3.29Å; V1056-V1058 PolarHBondContact O-N 3.24Å; V1058-G1060 PolarHBondContact O-N 3.06Å; V1058-S1061 PolarHBondContact O-N 3.4Å; V1058-S1061 PolarHBondContact O-OG 3.38Å; V1058-L1062 WeakPolarHBondContact O-CG 3.42Å; V1058-L1062 PolarHBondContact O-N 3.42Å; V1058-L1062 VanDerWaalsContact O-N 3.11Å
1059	A	86.7	Confident	82.9	Confident	33 Å²	33	31.5 Å²	31.5	27%	0.273	17%	0.172	S	C	.	.	H	α-helix	trans	-57.1	-45	175.5	0	0	0	0	0	112.8	W1055 V1056 S1061 L1062 V1063	W1055-A1059 HydrophobicContact CE3-CB 4.24Å; W1055-A1059 HydrophobicContact CZ3-CB 4.34Å; W1055-A1059 PolarHBondContact O-N 3.28Å; V1056-A1059 PolarHBondContact O-N 3.47Å; A1059-S1061 VanDerWaalsContact C-N 3.35Å; A1059-S1061 PolarHBondContact O-N 3.23Å; A1059-L1062 PolarHBondContact O-N 3.44Å; A1059-V1063 PolarHBondContact O-N 3.2Å; A1059-V1063 VanDerWaalsContact O-N 3.07Å
1060	G	87.8	Confident	81.9	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60	-41.7	175.9	0	0	0	0	0	113.1	I933 V1056 P1057 V1058 L1062 V1063 F1064	I933-G1060 VanDerWaalsContact CG2-CA 3.48Å; V1056-G1060 PolarHBondContact O-N 3.07Å; P1057-G1060 PolarHBondContact O-N 3.4Å; V1058-G1060 PolarHBondContact O-N 3.06Å; G1060-L1062 VanDerWaalsContact C-N 3.29Å; G1060-L1062 PolarHBondContact O-N 3.24Å; G1060-V1063 PolarHBondContact O-N 3.21Å; G1060-F1064 PolarHBondContact O-N 3.45Å
1061	S	88	Confident	80.6	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.1	-37.6	175.5	79.7	0	0	0	0	112.2	Y874 M934 P1057 V1058 A1059 F1064 L1065	Y874-S1061 WeakPolarHBondContact CE2-OG 3.44Å; M934-S1061 VanDerWaalsContact SD-CA 3.57Å; P1057-S1061 PolarHBondContact O-N 3.21Å; V1058-S1061 PolarHBondContact O-N 3.4Å; V1058-S1061 PolarHBondContact O-OG 3.38Å; A1059-S1061 VanDerWaalsContact C-N 3.35Å; A1059-S1061 PolarHBondContact O-N 3.23Å; S1061-F1064 PolarHBondContact O-N 3.05Å; S1061-L1065 WeakPolarHBondContact O-CB 3.49Å; S1061-L1065 WeakPolarHBondContact O-CG 3.08Å; S1061-L1065 PolarHBondContact O-N 3.47Å
1062	L	84.2	Confident	78.4	Confident	50 Å²	50	32 Å²	32	26%	0.262	17%	0.17	S	C	.	.	H	α-helix	trans	-69.2	-40.9	178	-60.9	171.7	0	0	0	110.6	L895 I899 V1058 A1059 G1060 C1066	L895-L1062 HydrophobicContact CB-CD2 3.96Å; L895-L1062 HydrophobicContact CD1-CD2 3.98Å; L895-L1062 HydrophobicContact CG-CD2 4.48Å; I899-L1062 HydrophobicContact CD1-CB 4.27Å; I899-L1062 HydrophobicContact CD1-CD2 3.5Å; I899-L1062 HydrophobicContact CD1-CG 4.48Å; V1058-L1062 WeakPolarHBondContact O-CG 3.42Å; V1058-L1062 PolarHBondContact O-N 3.42Å; V1058-L1062 VanDerWaalsContact O-N 3.11Å; A1059-L1062 PolarHBondContact O-N 3.44Å; G1060-L1062 VanDerWaalsContact C-N 3.29Å; G1060-L1062 PolarHBondContact O-N 3.24Å; L1062-C1066 WeakPolarHBondContact O-CB 3.18Å; L1062-C1066 PolarHBondContact O-N 3.45Å; L1062-C1066 PolarHBondContact O-SG 3.14Å
1063	V	85.5	Confident	76	Confident	44 Å²	44	33.4 Å²	33.4	27%	0.267	17%	0.169	S	C	.	.	H	α-helix	trans	-62.3	-45.5	173.4	178.1	0	0	0	0	110.8	I933 A1059 G1060 C1066 A1067	I933-V1063 HydrophobicContact CD1-CB 4.22Å; I933-V1063 HydrophobicContact CD1-CG1 4.1Å; I933-V1063 HydrophobicContact CD1-CG2 4.02Å; A1059-V1063 PolarHBondContact O-N 3.2Å; A1059-V1063 VanDerWaalsContact O-N 3.07Å; G1060-V1063 PolarHBondContact O-N 3.21Å; V1063-C1066 PolarHBondContact O-N 3.44Å; V1063-A1067 WeakPolarHBondContact O-CB 3.42Å; V1063-A1067 PolarHBondContact O-N 3.4Å
1064	F	88.3	Confident	73.4	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.4	-50.5	177	168.4	-99.6	0	0	0	112.1	T865 V867 V870 L931 G1060 S1061 C1066 A1067 F1068	T865-F1064 WeakPolarHBondContact O-CE2 2.89Å; T865-F1064 WeakPolarHBondContact O-CZ 3.09Å; V867-F1064 HydrophobicContact CB-CE1 4.3Å; V867-F1064 HydrophobicContact CB-CZ 3.99Å; V867-F1064 HydrophobicContact CG2-CE1 4.45Å; V870-F1064 HydrophobicContact CB-CD1 4.05Å; V870-F1064 HydrophobicContact CB-CE1 3.83Å; V870-F1064 HydrophobicContact CG1-CD1 3.99Å; V870-F1064 HydrophobicContact CG1-CE1 4.25Å; V870-F1064 HydrophobicContact CG2-CD1 3.84Å; V870-F1064 HydrophobicContact CG2-CE1 3.67Å; V870-F1064 HydrophobicContact CG2-CZ 4.49Å; L931-F1064 HydrophobicContact CD1-CD2 3.97Å; L931-F1064 HydrophobicContact CD1-CE2 3.93Å; L931-F1064 HydrophobicContact CD2-CD2 3.74Å; L931-F1064 HydrophobicContact CD2-CE2 3.97Å; L931-F1064 HydrophobicContact CD2-CG 4.19Å; L931-F1064 HydrophobicContact CG-CD2 3.56Å; L931-F1064 HydrophobicContact CG-CE2 3.96Å; L931-F1064 HydrophobicContact CG-CG 4.33Å; G1060-F1064 PolarHBondContact O-N 3.45Å; S1061-F1064 PolarHBondContact O-N 3.05Å; F1064-C1066 VanDerWaalsContact C-N 3.3Å; F1064-C1066 PolarHBondContact O-N 3.15Å; F1064-A1067 CarbonylContact O-C 3.1Å; F1064-A1067 PolarHBondContact O-N 2.72Å; F1064-F1068 HydrophobicContact CE2-CB 4.29Å; F1064-F1068 HydrophobicContact CZ-CB 4.2Å; F1064-F1068 WeakPolarHBondContact O-CB 3.23Å; F1064-F1068 PolarHBondContact O-N 3.31Å
1065	L	84.2	Confident	70.8	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.6	-38.8	179.1	-70.2	172.8	0	0	0	111.4	V870 M871 Y874 P896 I899 S1061 A1067 S1069	V870-L1065 HydrophobicContact CB-CD2 4.48Å; V870-L1065 HydrophobicContact CG1-CD1 4.18Å; V870-L1065 HydrophobicContact CG1-CD2 3.96Å; V870-L1065 HydrophobicContact CG1-CG 4Å; M871-L1065 HydrophobicContact CE-CD2 3.49Å; M871-L1065 VanDerWaalsContact CE-CD2 3.49Å; M871-L1065 HydrophobicContact CG-CD2 4.28Å; M871-L1065 HydrophobicContact SD-CD2 3.86Å; Y874-L1065 HydrophobicContact CD2-CD1 4.12Å; Y874-L1065 HydrophobicContact CE2-CD1 3.84Å; P896-L1065 HydrophobicContact CB-CD1 3.83Å; P896-L1065 HydrophobicContact CG-CD1 3.84Å; I899-L1065 HydrophobicContact CD1-CB 4.25Å; I899-L1065 VanDerWaalsContact CG2-C 3.45Å; I899-L1065 HydrophobicContact CG2-CB 3.94Å; I899-L1065 WeakPolarHBondContact CG2-O 3.27Å; S1061-L1065 WeakPolarHBondContact O-CB 3.49Å; S1061-L1065 WeakPolarHBondContact O-CG 3.08Å; S1061-L1065 PolarHBondContact O-N 3.47Å; L1065-A1067 VanDerWaalsContact C-N 3.33Å; L1065-S1069 WeakPolarHBondContact O-CB 3.36Å; L1065-S1069 PolarHBondContact O-N 3.3Å; L1065-S1069 PolarHBondContact O-OG 2.97Å
1066	C	81	Confident	68.2	Low	32 Å²	32	39.1 Å²	39.1	22%	0.216	22%	0.216	C	C	.	.	H	α-helix	trans	-62	-43.2	171.2	-71.9	0	0	0	0	109.9	I899 L1062 V1063 F1064 V1070 M1072	I899-C1066 HydrophobicContact CG2-CB 4.32Å; L1062-C1066 WeakPolarHBondContact O-CB 3.18Å; L1062-C1066 PolarHBondContact O-N 3.45Å; L1062-C1066 PolarHBondContact O-SG 3.14Å; V1063-C1066 PolarHBondContact O-N 3.44Å; F1064-C1066 VanDerWaalsContact C-N 3.3Å; F1064-C1066 PolarHBondContact O-N 3.15Å; C1066-V1070 VanDerWaalsContact O-CA 3.32Å; C1066-V1070 WeakPolarHBondContact O-CA 3.33Å; C1066-V1070 WeakPolarHBondContact O-CB 3.13Å; C1066-V1070 WeakPolarHBondContact O-CG2 3.46Å; C1066-V1070 PolarHBondContact O-N 3.43Å; C1066-M1072 HydrophobicContact CB-CE 3.56Å
1067	A	77.4	Confident	65.3	Low	0 Å²	0	43 Å²	43	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-91.8	-18.5	-169.4	0	0	0	0	0	115.9	G926 S927 V1063 F1064 L1065 V1070 M1072	G926-A1067 WeakPolarHBondContact O-CB 3.12Å; S927-A1067 PolarHBondContact OG-O 3.46Å; V1063-A1067 WeakPolarHBondContact O-CB 3.42Å; V1063-A1067 PolarHBondContact O-N 3.4Å; F1064-A1067 CarbonylContact O-C 3.1Å; F1064-A1067 PolarHBondContact O-N 2.72Å; L1065-A1067 VanDerWaalsContact C-N 3.33Å; A1067-V1070 CarbonylContact C-O 3.59Å; A1067-V1070 CarbonylContact O-C 3.58Å; A1067-M1072 HydrophobicContact CB-CE 4.01Å; A1067-M1072 HydrophobicContact CB-CG 4.09Å; A1067-M1072 HydrophobicContact CB-SD 4Å
1068	F	77.4	Confident	62.6	Low	24 Å²	24	47.1 Å²	47.1	11%	0.105	26%	0.258	C	S	.	.	H	α-helix	trans	-73	-44.3	164.3	171.7	-86.4	0	0	0	110.4	Q862 T865 V867 S927 F1064 V1070	Q862-F1068 HydrophobicContact CG-CE2 3.71Å; Q862-F1068 HydrophobicContact CG-CZ 3.57Å; Q862-F1068 WeakPolarHBondContact O-CE2 3.43Å; T865-F1068 HydrophobicContact CG2-CD2 4.35Å; T865-F1068 WeakPolarHBondContact OG1-CD2 3.42Å; V867-F1068 HydrophobicContact CB-CD1 4.13Å; V867-F1068 HydrophobicContact CB-CD2 3.81Å; V867-F1068 HydrophobicContact CB-CE1 4.11Å; V867-F1068 HydrophobicContact CB-CE2 3.74Å; V867-F1068 HydrophobicContact CB-CG 4.01Å; V867-F1068 HydrophobicContact CB-CZ 3.91Å; V867-F1068 HydrophobicContact CG1-CD2 4.26Å; V867-F1068 HydrophobicContact CG1-CE1 4.21Å; V867-F1068 HydrophobicContact CG1-CE2 3.66Å; V867-F1068 HydrophobicContact CG1-CZ 3.65Å; V867-F1068 HydrophobicContact CG2-CD1 3.49Å; V867-F1068 VanDerWaalsContact CG2-CD1 3.49Å; V867-F1068 HydrophobicContact CG2-CD2 4.11Å; V867-F1068 HydrophobicContact CG2-CE1 3.55Å; V867-F1068 HydrophobicContact CG2-CE2 4.13Å; V867-F1068 HydrophobicContact CG2-CG 3.81Å; V867-F1068 HydrophobicContact CG2-CZ 3.87Å; S927-F1068 WeakPolarHBondContact OG-CA 3.35Å; S927-F1068 PolarHBondContact OG-N 3.12Å; F1064-F1068 HydrophobicContact CE2-CB 4.29Å; F1064-F1068 HydrophobicContact CZ-CB 4.2Å; F1064-F1068 WeakPolarHBondContact O-CB 3.23Å; F1064-F1068 PolarHBondContact O-N 3.31Å; F1068-V1070 CarbonylContact C-O 3.52Å
1069	S	69.5	Low	59.9	Low	10 Å²	10	50.8 Å²	50.8	7%	0.07	27%	0.272	C	S	.	.	H	α-helix	trans	-73.8	-56.1	-179.7	-48.8	0	0	0	0	106.8	L1065 F1081 S1082	L1065-S1069 WeakPolarHBondContact O-CB 3.36Å; L1065-S1069 PolarHBondContact O-N 3.3Å; L1065-S1069 PolarHBondContact O-OG 2.97Å; S1069-F1081 CarbonylContact O-C 3.49Å; S1069-F1081 VanDerWaalsContact O-C 3.25Å; S1069-F1081 WeakPolarHBondContact O-CA 3.48Å; S1069-S1082 WeakPolarHBondContact O-CA 3.23Å; S1069-S1082 VanDerWaalsContact O-CB 3.28Å; S1069-S1082 WeakPolarHBondContact O-CB 3.24Å; S1069-S1082 PolarHBondContact O-N 3.37Å
1070	V	58.6	Low	57.3	Low	21 Å²	21	49.9 Å²	49.9	13%	0.127	26%	0.262	C	S	.	.	S	Bend	trans	-62.1	-172.8	165	-169.1	0	0	0	0	110.1	S923 C1066 A1067 F1068 M1072 R1080 F1081	S923-V1070 WeakPolarHBondContact CA-O 3.48Å; S923-V1070 WeakPolarHBondContact CB-O 3.34Å; C1066-V1070 VanDerWaalsContact O-CA 3.32Å; C1066-V1070 WeakPolarHBondContact O-CA 3.33Å; C1066-V1070 WeakPolarHBondContact O-CB 3.13Å; C1066-V1070 WeakPolarHBondContact O-CG2 3.46Å; C1066-V1070 PolarHBondContact O-N 3.43Å; A1067-V1070 CarbonylContact C-O 3.59Å; A1067-V1070 CarbonylContact O-C 3.58Å; F1068-V1070 CarbonylContact C-O 3.52Å; V1070-M1072 HydrophobicContact CG1-CG 4.23Å; V1070-R1080 WeakPolarHBondContact CA-O 3.49Å; V1070-R1080 HydrophobicContact CB-CB 4.36Å; V1070-R1080 HydrophobicContact CG1-CB 3.69Å; V1070-R1080 WeakPolarHBondContact CG1-O 3.35Å; V1070-R1080 WeakPolarHBondContact CG2-O 3.2Å; V1070-F1081 HydrophobicContact CB-CD1 4.28Å; V1070-F1081 HydrophobicContact CB-CD2 4.3Å; V1070-F1081 HydrophobicContact CB-CG 4.12Å; V1070-F1081 HydrophobicContact CG2-CD1 3.56Å; V1070-F1081 HydrophobicContact CG2-CD2 3.23Å; V1070-F1081 HydrophobicContact CG2-CE1 3.49Å; V1070-F1081 VanDerWaalsContact CG2-CE1 3.49Å; V1070-F1081 HydrophobicContact CG2-CE2 3.14Å; V1070-F1081 HydrophobicContact CG2-CG 3.41Å; V1070-F1081 VanDerWaalsContact CG2-CG 3.41Å; V1070-F1081 HydrophobicContact CG2-CZ 3.27Å
1071	G	47.7	Very low	54.7	Low	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.268	C	S	.	.			trans	-136.2	126.5	137.3	0	0	0	0	0	114.4	W922 R1080	W922-G1071 CarbonylContact O-C 3.51Å; W922-G1071 WeakPolarHBondContact O-CA 3.29Å; G1071-R1080 VanDerWaalsContact N-CB 3.33Å; G1071-R1080 WeakPolarHBondContact O-CD 3.44Å; G1071-R1080 PolarHBondContact O-NH1 3.07Å
1072	M	34.4	Very low	52.2	Low	60 Å²	60	52.9 Å²	52.9	30%	0.296	28%	0.279	S	S	.	.			trans	-94.8	150.5	-170.1	-63	-174.1	-174.7	0	0	112.3	W922 C1066 A1067 V1070	W922-M1072 PolarHBondContact O-N 3.27Å; W922-M1072 VanDerWaalsContact O-N 3.12Å; C1066-M1072 HydrophobicContact CB-CE 3.56Å; A1067-M1072 HydrophobicContact CB-CE 4.01Å; A1067-M1072 HydrophobicContact CB-CG 4.09Å; A1067-M1072 HydrophobicContact CB-SD 4Å; V1070-M1072 HydrophobicContact CG1-CG 4.23Å
1073	I	31	Very low	50.8	Low	120 Å²	120	50.6 Å²	50.6	62%	0.615	27%	0.267	S	S	*	.			cis	-159	150.2	-11.6	-113.9	166.5	0	0	0	107.5	W922	W922-I1073 VanDerWaalsContact CZ3-O 3.24Å; W922-I1073 WeakPolarHBondContact CZ3-O 3.38Å
1074	Y	30.1	Very low	50	Low	192 Å²	192	48.7 Å²	48.7	75%	0.753	26%	0.256	S	S	*	.			trans	-162.4	149.3	149.8	-130.4	-112.6	0	0	0	110.3	S1076	Y1074-S1076 PolarHBondContact O-N 2.75Å
1075	P	28.5	Very low	49.4	Very low	115 Å²	115	49.2 Å²	49.2	75%	0.747	26%	0.259	S	S	*	.	S	Bend	trans	-90.7	63.4	-147.6	36.3	-35.4	0	0	0	114.2
1076	S	29.5	Very low	49.1	Very low	87 Å²	87	50.7 Å²	50.7	61%	0.608	27%	0.265	S	S	*	.	S	Bend	trans	-158.3	112.1	165	51.1	0	0	0	0	113.7	Y1074	Y1074-S1076 PolarHBondContact O-N 2.75Å
1077	T	27.9	Very low	48.9	Very low	95 Å²	95	49.1 Å²	49.1	58%	0.583	26%	0.255	S	S	*	.	S	Bend	trans	66.8	134.9	166.5	78.8	0	0	0	0	118.6	K1079	T1077-K1079 WeakPolarHBondContact O-CD 3.32Å; T1077-K1079 PolarHBondContact O-NZ 3.26Å
1078	K	30.7	Very low	49	Very low	86 Å²	86	49.2 Å²	49.2	37%	0.374	26%	0.255	S	S	.	.			trans	47.1	77.2	147.4	-53	156.3	-174.6	154.6	0	116.8	L910 K913	L910-K1078 HydrophobicContact CD2-CB 3.88Å; L910-K1078 VanDerWaalsContact CD2-O 3.26Å; L910-K1078 WeakPolarHBondContact CD2-O 3.35Å; K913-K1078 HydrophobicContact CD-CD 4.43Å
1079	K	29.7	Very low	49.3	Very low	98 Å²	98	48.3 Å²	48.3	43%	0.426	25%	0.251	S	S	.	.			trans	-153.8	158.1	165.4	-81.5	113.8	-157.9	172	0	110.5	T1077	T1077-K1079 WeakPolarHBondContact O-CD 3.32Å; T1077-K1079 PolarHBondContact O-NZ 3.26Å
1080	R	31.8	Very low	49.7	Very low	14 Å²	14	48.1 Å²	48.1	5%	0.053	25%	0.25	C	S	.	.			cis	-164.2	152.5	-6.2	-98.5	148.3	-158.2	133.3	9.9	106.3	L919 W922 V1070 G1071	L919-R1080 HydrophobicContact CD1-CB 4.4Å; L919-R1080 HydrophobicContact CD1-CG 3.25Å; L919-R1080 HydrophobicContact CG-CG 4.09Å; W922-R1080 VanDerWaalsContact CE2-NH2 3.29Å; V1070-R1080 WeakPolarHBondContact CA-O 3.49Å; V1070-R1080 HydrophobicContact CB-CB 4.36Å; V1070-R1080 HydrophobicContact CG1-CB 3.69Å; V1070-R1080 WeakPolarHBondContact CG1-O 3.35Å; V1070-R1080 WeakPolarHBondContact CG2-O 3.2Å; G1071-R1080 VanDerWaalsContact N-CB 3.33Å; G1071-R1080 WeakPolarHBondContact O-CD 3.44Å; G1071-R1080 PolarHBondContact O-NH1 3.07Å
1081	F	33	Very low	50.8	Low	30 Å²	30	47.4 Å²	47.4	13%	0.132	25%	0.246	C	C	.	.			trans	-176.8	128.5	153.4	-93.1	-88.7	0	0	0	115.5	I899 L902 G903 G904 A906 S907 S1069 V1070	I899-F1081 HydrophobicContact CG2-CE1 3.8Å; I899-F1081 HydrophobicContact CG2-CZ 4.19Å; I899-F1081 WeakPolarHBondContact O-CE1 3.27Å; L902-F1081 HydrophobicContact CB-CE2 4.37Å; G903-F1081 CarbonylContact C-O 3.6Å; G903-F1081 VanDerWaalsContact N-CE2 3.32Å; G903-F1081 WeakPolarHBondContact O-CB 3.48Å; G904-F1081 WeakPolarHBondContact CA-O 3.38Å; A906-F1081 HydrophobicContact CB-CB 4.02Å; A906-F1081 HydrophobicContact CB-CD2 4.32Å; S907-F1081 VanDerWaalsContact CA-O 3.26Å; S907-F1081 WeakPolarHBondContact CA-O 3.18Å; S907-F1081 WeakPolarHBondContact CB-O 3.14Å; S907-F1081 PolarHBondContact N-O 3.02Å; S1069-F1081 CarbonylContact O-C 3.49Å; S1069-F1081 VanDerWaalsContact O-C 3.25Å; S1069-F1081 WeakPolarHBondContact O-CA 3.48Å; V1070-F1081 HydrophobicContact CB-CD1 4.28Å; V1070-F1081 HydrophobicContact CB-CD2 4.3Å; V1070-F1081 HydrophobicContact CB-CG 4.12Å; V1070-F1081 HydrophobicContact CG2-CD1 3.56Å; V1070-F1081 HydrophobicContact CG2-CD2 3.23Å; V1070-F1081 HydrophobicContact CG2-CE1 3.49Å; V1070-F1081 VanDerWaalsContact CG2-CE1 3.49Å; V1070-F1081 HydrophobicContact CG2-CE2 3.14Å; V1070-F1081 HydrophobicContact CG2-CG 3.41Å; V1070-F1081 VanDerWaalsContact CG2-CG 3.41Å; V1070-F1081 HydrophobicContact CG2-CZ 3.27Å
1082	S	37	Very low	52.4	Low	32 Å²	32	47.6 Å²	47.6	22%	0.224	25%	0.246	C	C	.	.	S	Bend	trans	-71.5	135	-135.8	-170.5	0	0	0	0	122	S1069	S1069-S1082 WeakPolarHBondContact O-CA 3.23Å; S1069-S1082 VanDerWaalsContact O-CB 3.28Å; S1069-S1082 WeakPolarHBondContact O-CB 3.24Å; S1069-S1082 PolarHBondContact O-N 3.37Å
1083	G	53.1	Low	54.6	Low	2 Å²	2	45 Å²	45	2%	0.021	23%	0.233	C	C	.	.			trans	-150.7	12	155.1	0	0	0	0	0	113.4	A1087	G1083-A1087 PolarHBondContact O-N 3.04Å
1084	V	68.9	Low	56.6	Low	4 Å²	4	39.7 Å²	39.7	2%	0.024	21%	0.207	C	C	.	.	H	α-helix	trans	-71.6	-42.2	-164	-153.2	0	0	0	0	113.8	I911 R916 L919 I920 W1086 A1087 V1088	I911-V1084 HydrophobicContact CD1-CG1 4.17Å; I911-V1084 HydrophobicContact CG1-CG1 4.46Å; R916-V1084 HydrophobicContact CB-CG1 3.91Å; R916-V1084 HydrophobicContact CG-CG1 4.05Å; L919-V1084 HydrophobicContact CB-CG1 4.39Å; L919-V1084 HydrophobicContact CB-CG2 4.09Å; L919-V1084 HydrophobicContact CD2-CG1 4.4Å; L919-V1084 HydrophobicContact CD2-CG2 3.48Å; L919-V1084 VanDerWaalsContact CD2-CG2 3.48Å; L919-V1084 HydrophobicContact CG-CG2 3.87Å; I920-V1084 HydrophobicContact CD1-CB 4.14Å; I920-V1084 HydrophobicContact CD1-CG1 3.94Å; I920-V1084 HydrophobicContact CG1-CB 3.93Å; I920-V1084 HydrophobicContact CG1-CG1 4.04Å; V1084-W1086 VanDerWaalsContact C-N 3.32Å; V1084-W1086 PolarHBondContact O-N 3.28Å; V1084-A1087 PolarHBondContact O-N 2.83Å; V1084-A1087 VanDerWaalsContact O-N 3.11Å; V1084-V1088 HydrophobicContact CG1-CG2 4.3Å; V1084-V1088 WeakPolarHBondContact O-CG2 3.39Å; V1084-V1088 PolarHBondContact O-N 3.17Å
1085	P	77.1	Confident	58.4	Low	11 Å²	11	33.4 Å²	33.4	7%	0.071	19%	0.188	C	C	.	.	H	α-helix	trans	-53.5	-47.2	177.5	-33.2	42.1	0	0	0	112.9	V858 L859 Q862 A1087 N1089	V858-P1085 HydrophobicContact CG1-CB 3.79Å; V858-P1085 HydrophobicContact CG1-CG 4.06Å; L859-P1085 HydrophobicContact CD2-CB 3.58Å; L859-P1085 HydrophobicContact CG-CB 4.49Å; Q862-P1085 VanDerWaalsContact OE1-CG 3.24Å; P1085-A1087 PolarHBondContact O-N 3.26Å; P1085-N1089 WeakPolarHBondContact O-CB 3.01Å; P1085-N1089 PolarHBondContact O-N 3.17Å
1086	W	76.7	Confident	60.3	Low	31 Å²	31	31.7 Å²	31.7	12%	0.117	17%	0.167	C	C	.	.	H	α-helix	trans	-64	-37.7	176.7	-62	110.5	0	0	0	113.3	T722 V1084 N1089 A1090 T1106 N1109	T722-W1086 HydrophobicContact CG2-CE3 4.38Å; T722-W1086 HydrophobicContact CG2-CH2 3.42Å; T722-W1086 VanDerWaalsContact CG2-CH2 3.42Å; T722-W1086 HydrophobicContact CG2-CZ2 4.14Å; T722-W1086 HydrophobicContact CG2-CZ3 3.55Å; V1084-W1086 VanDerWaalsContact C-N 3.32Å; V1084-W1086 PolarHBondContact O-N 3.28Å; W1086-N1089 PolarHBondContact O-N 3.25Å; W1086-A1090 PolarHBondContact O-N 3.29Å; W1086-A1090 VanDerWaalsContact O-N 3.11Å; W1086-T1106 HydrophobicContact CH2-CG2 4.37Å; W1086-T1106 HydrophobicContact CZ3-CG2 4.35Å; W1086-N1109 HydrophobicContact CH2-CB 4.39Å
1087	A	77.1	Confident	62.4	Low	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-70.2	-44.9	178.2	0	0	0	0	0	112.5	I742 T743 I911 G1083 V1084 P1085 N1089 A1090 E1091	I742-A1087 HydrophobicContact CG2-CB 4.33Å; T743-A1087 HydrophobicContact CG2-CB 4.13Å; I911-A1087 HydrophobicContact CD1-CB 3.47Å; I911-A1087 VanDerWaalsContact CD1-CB 3.47Å; G1083-A1087 PolarHBondContact O-N 3.04Å; V1084-A1087 PolarHBondContact O-N 2.83Å; V1084-A1087 VanDerWaalsContact O-N 3.11Å; P1085-A1087 PolarHBondContact O-N 3.26Å; A1087-N1089 VanDerWaalsContact C-N 3.25Å; A1087-N1089 PolarHBondContact O-N 2.99Å; A1087-A1090 PolarHBondContact O-N 2.84Å; A1087-E1091 WeakPolarHBondContact O-CB 3.46Å; A1087-E1091 WeakPolarHBondContact O-CG 3.43Å; A1087-E1091 PolarHBondContact O-N 3.46Å
1088	V	79.7	Confident	64.8	Low	2 Å²	2	23.2 Å²	23.2	1%	0.012	11%	0.111	C	C	.	.	H	α-helix	trans	-56.7	-45	172.3	171.2	0	0	0	0	109.8	R916 I920 V1084 A1090 E1091 L1092 L1151	R916-V1088 HydrophobicContact CB-CG2 3.59Å; R916-V1088 HydrophobicContact CG-CG2 3.8Å; I920-V1088 HydrophobicContact CD1-CG2 4.29Å; V1084-V1088 HydrophobicContact CG1-CG2 4.3Å; V1084-V1088 WeakPolarHBondContact O-CG2 3.39Å; V1084-V1088 PolarHBondContact O-N 3.17Å; V1088-A1090 VanDerWaalsContact C-N 3.33Å; V1088-A1090 PolarHBondContact O-N 3.12Å; V1088-E1091 PolarHBondContact O-N 3.36Å; V1088-E1091 VanDerWaalsContact O-N 3.14Å; V1088-L1092 HydrophobicContact CG1-CD2 4.43Å; V1088-L1092 VanDerWaalsContact O-CB 3.23Å; V1088-L1092 WeakPolarHBondContact O-CB 3.4Å; V1088-L1092 PolarHBondContact O-N 3.1Å; V1088-L1151 HydrophobicContact CG1-CD1 4.33Å
1089	N	82.6	Confident	67.1	Low	5 Å²	5	19.3 Å²	19.3	3%	0.027	10%	0.095	C	C	.	.	H	α-helix	trans	-60.4	-40.8	-179.5	-146.9	-93.6	0	0	0	112.7	G855 P1085 W1086 A1087 Y1093 A1102 A1105	G855-N1089 PolarHBondContact O-ND2 3.23Å; P1085-N1089 WeakPolarHBondContact O-CB 3.01Å; P1085-N1089 PolarHBondContact O-N 3.17Å; W1086-N1089 PolarHBondContact O-N 3.25Å; A1087-N1089 VanDerWaalsContact C-N 3.25Å; A1087-N1089 PolarHBondContact O-N 2.99Å; N1089-Y1093 WeakPolarHBondContact O-CD2 3.13Å; N1089-Y1093 WeakPolarHBondContact O-CE2 3.32Å; N1089-Y1093 WeakPolarHBondContact OD1-CE2 3.25Å; N1089-A1102 WeakPolarHBondContact OD1-CA 3.49Å; N1089-A1105 WeakPolarHBondContact ND2-CB 3.45Å; N1089-A1105 WeakPolarHBondContact OD1-CB 3.46Å
1090	A	78.9	Confident	69.6	Low	5 Å²	5	17.1 Å²	17.1	4%	0.041	9%	0.087	C	C	.	.	H	α-helix	trans	-75.9	-19.8	176.7	0	0	0	0	0	114.7	A730 I742 W1086 A1087 V1088	A730-A1090 HydrophobicContact CB-CB 4.47Å; I742-A1090 HydrophobicContact CD1-CB 3.85Å; W1086-A1090 PolarHBondContact O-N 3.29Å; W1086-A1090 VanDerWaalsContact O-N 3.11Å; A1087-A1090 PolarHBondContact O-N 2.84Å; V1088-A1090 VanDerWaalsContact C-N 3.33Å; V1088-A1090 PolarHBondContact O-N 3.12Å
1091	E	80.8	Confident	72	Confident	7 Å²	7	16.7 Å²	16.7	3%	0.033	9%	0.087	C	C	.	.	H	α-helix	trans	-89.3	-28.8	179.4	-74.3	174.6	173.7	0	0	113.5	R738 G739 R916 A1087 V1088 Y1093 T1154	R738-E1091 HydrophobicContact CG-CG 4.45Å; G739-E1091 WeakPolarHBondContact CA-OE1 3.34Å; G739-E1091 PolarHBondContact N-OE1 3.17Å; R916-E1091 IonicContact CZ-OE1 2.84Å; R916-E1091 IonicContact CZ-OE2 3.32Å; R916-E1091 IonicContact NE-OE1 3.71Å; R916-E1091 PolarHBondContact NE-OE1 3.04Å; R916-E1091 IonicContact NE-OE2 2.73Å; R916-E1091 PolarHBondContact NE-OE2 2.82Å; R916-E1091 IonicContact NH2-OE1 3.38Å; R916-E1091 PolarHBondContact NH2-OE1 3.38Å; R916-E1091 IonicContact NH2-OE2 3.1Å; A1087-E1091 WeakPolarHBondContact O-CB 3.46Å; A1087-E1091 WeakPolarHBondContact O-CG 3.43Å; A1087-E1091 PolarHBondContact O-N 3.46Å; V1088-E1091 PolarHBondContact O-N 3.36Å; V1088-E1091 VanDerWaalsContact O-N 3.14Å; E1091-Y1093 PolarHBondContact O-N 3.29Å; E1091-T1154 WeakPolarHBondContact OE2-CB 3.18Å; E1091-T1154 PolarHBondContact OE2-OG1 3.1Å
1092	L	82.1	Confident	74.4	Confident	3 Å²	3	15.8 Å²	15.8	2%	0.016	9%	0.085	C	C	.	.	S	Bend	trans	-81.3	-13.7	-167	-168	60.2	0	0	0	115.2	S851 I854 V1088 I1162 L1166	S851-L1092 WeakPolarHBondContact O-CD2 3.44Å; S851-L1092 PolarHBondContact OG-O 3.48Å; I854-L1092 HydrophobicContact CB-CD2 3.99Å; I854-L1092 HydrophobicContact CG2-CD2 3.82Å; V1088-L1092 HydrophobicContact CG1-CD2 4.43Å; V1088-L1092 VanDerWaalsContact O-CB 3.23Å; V1088-L1092 WeakPolarHBondContact O-CB 3.4Å; V1088-L1092 PolarHBondContact O-N 3.1Å; L1092-I1162 HydrophobicContact CD1-CG2 4.06Å; L1092-L1166 HydrophobicContact CD1-CD1 3.95Å
1093	Y	81.1	Confident	76.8	Confident	5 Å²	5	14.6 Å²	14.6	2%	0.02	8%	0.077	C	C	.	.	S	Bend	trans	-108.2	140.7	-179.3	-53.2	-64.5	0	0	0	111.9	L852 N1089 E1091	L852-Y1093 HydrophobicContact CD1-CE1 4.34Å; N1089-Y1093 WeakPolarHBondContact O-CD2 3.13Å; N1089-Y1093 WeakPolarHBondContact O-CE2 3.32Å; N1089-Y1093 WeakPolarHBondContact OD1-CE2 3.25Å; E1091-Y1093 PolarHBondContact O-N 3.29Å
1094	P	72.3	Confident	78.5	Confident	9 Å²	9	15.9 Å²	15.9	6%	0.058	9%	0.087	C	C	.	.			trans	-66.9	161.3	176.4	30	-37	0	0	0	112.1	W1096 A1097 R1098	P1094-W1096 VanDerWaalsContact C-N 3.3Å; P1094-W1096 HydrophobicContact CG-CD2 4.35Å; P1094-W1096 HydrophobicContact CG-CZ2 3.86Å; P1094-W1096 PolarHBondContact O-N 3.5Å; P1094-A1097 HydrophobicContact CG-CB 3.72Å; P1094-A1097 CarbonylContact O-C 3.51Å; P1094-A1097 WeakPolarHBondContact O-CA 3.45Å; P1094-A1097 PolarHBondContact O-N 2.74Å; P1094-R1098 PolarHBondContact O-N 2.98Å
1095	T	67.8	Low	79.3	Confident	60 Å²	60	15.7 Å²	15.7	37%	0.368	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-46.4	-178.8	45.3	0	0	0	0	113.8	A1097 R1098	T1095-A1097 PolarHBondContact O-N 2.68Å; T1095-R1098 VanDerWaalsContact CG2-NH2 3.3Å
1096	W	68.8	Low	79.7	Confident	80 Å²	80	15.3 Å²	15.3	30%	0.303	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-9.4	179.5	62.9	-87.4	0	0	0	114.5	W837 P1094	W837-W1096 AromaticContact CD1-CE3 3.35Å; W837-W1096 AromaticContact CD1-CZ3 3.48Å; W837-W1096 VanDerWaalsContact CD1-CZ3 3.48Å; W837-W1096 HydrophobicContact CD2-CZ3 4.11Å; W837-W1096 AromaticContact CE2-CZ3 3.5Å; W837-W1096 HydrophobicContact CG-CE3 4.28Å; W837-W1096 HydrophobicContact CG-CZ3 4.06Å; W837-W1096 HydrophobicContact CZ2-CH2 4.29Å; W837-W1096 HydrophobicContact CZ2-CZ3 4.07Å; W837-W1096 AromaticContact NE1-CE3 3.13Å; W837-W1096 AromaticContact NE1-CH2 3.99Å; W837-W1096 AromaticContact NE1-CZ3 3.04Å; W837-W1096 PolarHBondContact NE1-O 2.98Å; P1094-W1096 VanDerWaalsContact C-N 3.3Å; P1094-W1096 HydrophobicContact CG-CD2 4.35Å; P1094-W1096 HydrophobicContact CG-CZ2 3.86Å; P1094-W1096 PolarHBondContact O-N 3.5Å
1097	A	72.8	Confident	80.4	Confident	1 Å²	1	17.7 Å²	17.7	1%	0.008	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-11	-177.3	0	0	0	0	0	115.2	W837 P1094 T1095 S1099 M1100 G1101	W837-A1097 HydrophobicContact CZ2-CB 3.63Å; P1094-A1097 HydrophobicContact CG-CB 3.72Å; P1094-A1097 CarbonylContact O-C 3.51Å; P1094-A1097 WeakPolarHBondContact O-CA 3.45Å; P1094-A1097 PolarHBondContact O-N 2.74Å; T1095-A1097 PolarHBondContact O-N 2.68Å; A1097-S1099 PolarHBondContact O-N 3.44Å; A1097-M1100 PolarHBondContact O-N 3.39Å; A1097-M1100 VanDerWaalsContact O-N 3.08Å; A1097-G1101 PolarHBondContact O-N 2.86Å
1098	R	78.7	Confident	81	Confident	3 Å²	3	19.2 Å²	19.2	1%	0.011	10%	0.104	C	C	.	.	H	α-helix	trans	-55.7	-46.4	-163.7	-165.8	-176.8	-60.6	126	1.6	113.2	E731 E799 P1094 T1095 M1100 A1102 M1159	E731-R1098 IonicContact OE1-NH1 2.78Å; E799-R1098 IonicContact OE2-NH1 3.37Å; E799-R1098 PolarHBondContact OE2-NH1 3.13Å; P1094-R1098 PolarHBondContact O-N 2.98Å; T1095-R1098 VanDerWaalsContact CG2-NH2 3.3Å; R1098-M1100 VanDerWaalsContact C-N 3.34Å; R1098-M1100 PolarHBondContact O-N 2.95Å; R1098-A1102 WeakPolarHBondContact O-CB 3.44Å; R1098-A1102 PolarHBondContact O-N 2.93Å; R1098-M1159 PolarHBondContact NH2-SD 3.07Å
1099	S	78.7	Confident	81.4	Confident	4 Å²	4	19.6 Å²	19.6	3%	0.028	11%	0.106	C	C	.	.	H	α-helix	trans	-60.5	-41.3	179.8	-49.6	0	0	0	0	112.7	A1097 S1103	A1097-S1099 PolarHBondContact O-N 3.44Å; S1099-S1103 WeakPolarHBondContact O-CB 3.44Å; S1099-S1103 PolarHBondContact O-N 3.31Å; S1099-S1103 PolarHBondContact O-OG 3.03Å; S1099-S1103 VanDerWaalsContact O-OG 3.14Å
1100	M	81.8	Confident	81.6	Confident	51 Å²	51	20 Å²	20	25%	0.251	11%	0.109	S	C	.	.	H	α-helix	trans	-77.7	-40.1	-176.9	-65.1	-173.8	71.1	0	0	112.6	W837 L839 A1097 R1098 S1103 A1104	W837-M1100 HydrophobicContact CB-CE 4.43Å; W837-M1100 HydrophobicContact CB-SD 3.63Å; W837-M1100 HydrophobicContact CD2-CE 4.31Å; W837-M1100 HydrophobicContact CD2-SD 3.78Å; W837-M1100 HydrophobicContact CE3-CE 4.11Å; W837-M1100 HydrophobicContact CE3-SD 4.2Å; W837-M1100 HydrophobicContact CG-CE 4.44Å; W837-M1100 HydrophobicContact CG-SD 3.49Å; L839-M1100 HydrophobicContact CD1-CE 3.53Å; A1097-M1100 PolarHBondContact O-N 3.39Å; A1097-M1100 VanDerWaalsContact O-N 3.08Å; R1098-M1100 VanDerWaalsContact C-N 3.34Å; R1098-M1100 PolarHBondContact O-N 2.95Å; M1100-S1103 WeakPolarHBondContact CA-OG 3.45Å; M1100-S1103 PolarHBondContact O-N 3.46Å; M1100-S1103 PolarHBondContact O-OG 3.35Å; M1100-A1104 WeakPolarHBondContact O-CB 3.05Å; M1100-A1104 PolarHBondContact O-N 3.23Å
1101	G	82.4	Confident	82.2	Confident	6 Å²	6	21.8 Å²	21.8	6%	0.062	12%	0.119	C	C	.	.	H	α-helix	trans	-62.4	-47.2	173.2	0	0	0	0	0	111.4	A1097 S1103 A1104 A1105	A1097-G1101 PolarHBondContact O-N 2.86Å; G1101-S1103 PolarHBondContact O-N 2.78Å; G1101-A1104 PolarHBondContact O-N 3.41Å; G1101-A1105 PolarHBondContact O-N 3.36Å; G1101-A1105 VanDerWaalsContact O-N 3.11Å
1102	A	83.9	Confident	82.6	Confident	10 Å²	10	24.2 Å²	24.2	8%	0.083	13%	0.13	C	C	.	.	H	α-helix	trans	-61.6	-41.4	176.5	0	0	0	0	0	112.6	T723 N1089 R1098 T1106	T723-A1102 HydrophobicContact CG2-CB 4.5Å; N1089-A1102 WeakPolarHBondContact OD1-CA 3.49Å; R1098-A1102 WeakPolarHBondContact O-CB 3.44Å; R1098-A1102 PolarHBondContact O-N 2.93Å; A1102-T1106 VanDerWaalsContact O-CB 3.23Å; A1102-T1106 WeakPolarHBondContact O-CB 3.43Å; A1102-T1106 PolarHBondContact O-N 3.45Å; A1102-T1106 PolarHBondContact O-OG1 3.48Å
1103	S	87.5	Confident	82.9	Confident	8 Å²	8	24.7 Å²	24.7	6%	0.056	13%	0.133	C	C	.	.	H	α-helix	trans	-66.2	-39	177.3	59.8	0	0	0	0	112.8	G668 S1099 M1100 G1101 T1106 F1107	G668-S1103 VanDerWaalsContact O-CB 3.25Å; G668-S1103 WeakPolarHBondContact O-CB 3.28Å; S1099-S1103 WeakPolarHBondContact O-CB 3.44Å; S1099-S1103 PolarHBondContact O-N 3.31Å; S1099-S1103 PolarHBondContact O-OG 3.03Å; S1099-S1103 VanDerWaalsContact O-OG 3.14Å; M1100-S1103 WeakPolarHBondContact CA-OG 3.45Å; M1100-S1103 PolarHBondContact O-N 3.46Å; M1100-S1103 PolarHBondContact O-OG 3.35Å; G1101-S1103 PolarHBondContact O-N 2.78Å; S1103-T1106 PolarHBondContact O-N 3.34Å; S1103-F1107 WeakPolarHBondContact O-CB 3.25Å; S1103-F1107 PolarHBondContact O-N 3.35Å
1104	A	88	Confident	83.2	Confident	29 Å²	29	30.2 Å²	30.2	24%	0.24	15%	0.154	C	C	.	.	H	α-helix	trans	-66.1	-41.2	178.5	0	0	0	0	0	112.3	L852 M1100 G1101 F1107 V1108	L852-A1104 HydrophobicContact CD1-CB 3.95Å; M1100-A1104 WeakPolarHBondContact O-CB 3.05Å; M1100-A1104 PolarHBondContact O-N 3.23Å; G1101-A1104 PolarHBondContact O-N 3.41Å; A1104-F1107 WeakPolarHBondContact O-CB 3.3Å; A1104-F1107 PolarHBondContact O-N 3.29Å; A1104-V1108 PolarHBondContact O-N 3.39Å
1105	A	86.6	Confident	83.8	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-76.7	-33.6	178.4	0	0	0	0	0	112.4	L859 N1089 G1101 F1107 V1108 N1109	L859-A1105 HydrophobicContact CD1-CB 3.74Å; L859-A1105 VanDerWaalsContact CD1-O 3.32Å; L859-A1105 WeakPolarHBondContact CD1-O 3.5Å; N1089-A1105 WeakPolarHBondContact ND2-CB 3.45Å; N1089-A1105 WeakPolarHBondContact OD1-CB 3.46Å; G1101-A1105 PolarHBondContact O-N 3.36Å; G1101-A1105 VanDerWaalsContact O-N 3.11Å; A1105-F1107 VanDerWaalsContact C-N 3.31Å; A1105-F1107 PolarHBondContact O-N 3.03Å; A1105-V1108 PolarHBondContact O-N 3.27Å; A1105-N1109 PolarHBondContact O-N 2.65Å
1106	T	85.9	Confident	84.6	Confident	3 Å²	3	30.7 Å²	30.7	2%	0.018	16%	0.157	C	C	.	.	H	α-helix	trans	-60.2	-40.8	169.6	-59.2	0	0	0	0	111.2	T722 W1086 A1102 S1103 N1109 C1110	T722-T1106 HydrophobicContact CG2-CG2 3.85Å; W1086-T1106 HydrophobicContact CH2-CG2 4.37Å; W1086-T1106 HydrophobicContact CZ3-CG2 4.35Å; A1102-T1106 VanDerWaalsContact O-CB 3.23Å; A1102-T1106 WeakPolarHBondContact O-CB 3.43Å; A1102-T1106 PolarHBondContact O-N 3.45Å; A1102-T1106 PolarHBondContact O-OG1 3.48Å; S1103-T1106 PolarHBondContact O-N 3.34Å; T1106-N1109 WeakPolarHBondContact O-CB 3.27Å; T1106-N1109 PolarHBondContact O-N 3.32Å; T1106-C1110 PolarHBondContact O-N 3.28Å; T1106-C1110 PolarHBondContact O-SG 3.35Å
1107	F	90.7	Very high	85.2	Confident	80 Å²	80	27 Å²	27	35%	0.351	14%	0.143	S	C	.	.	H	α-helix	trans	-58.8	-50	173.3	171.9	-92	0	0	0	111.8	T665 L669 S1103 A1104 A1105 N1109 C1110 V1111	T665-F1107 HydrophobicContact CG2-CD2 3.44Å; T665-F1107 VanDerWaalsContact CG2-CD2 3.44Å; T665-F1107 HydrophobicContact CG2-CE2 3.51Å; T665-F1107 HydrophobicContact CG2-CG 4.37Å; T665-F1107 HydrophobicContact CG2-CZ 4.47Å; L669-F1107 HydrophobicContact CB-CB 4.41Å; L669-F1107 HydrophobicContact CB-CD2 4.21Å; L669-F1107 HydrophobicContact CD1-CB 4.34Å; L669-F1107 HydrophobicContact CD2-CD2 4.06Å; L669-F1107 HydrophobicContact CD2-CE2 4.36Å; S1103-F1107 WeakPolarHBondContact O-CB 3.25Å; S1103-F1107 PolarHBondContact O-N 3.35Å; A1104-F1107 WeakPolarHBondContact O-CB 3.3Å; A1104-F1107 PolarHBondContact O-N 3.29Å; A1105-F1107 VanDerWaalsContact C-N 3.31Å; A1105-F1107 PolarHBondContact O-N 3.03Å; F1107-N1109 VanDerWaalsContact C-N 3.34Å; F1107-N1109 PolarHBondContact O-N 3.17Å; F1107-C1110 PolarHBondContact O-N 3.4Å; F1107-V1111 HydrophobicContact CD1-CG2 4.4Å; F1107-V1111 HydrophobicContact CE1-CG2 4.02Å; F1107-V1111 HydrophobicContact CE2-CG2 4.24Å; F1107-V1111 HydrophobicContact CZ-CG2 3.94Å; F1107-V1111 WeakPolarHBondContact O-CG2 3.38Å; F1107-V1111 PolarHBondContact O-N 3.29Å
1108	V	90.2	Very high	85.6	Confident	32 Å²	32	29 Å²	29	19%	0.194	16%	0.157	C	C	.	.	H	α-helix	trans	-58.5	-44.1	176.4	173.5	0	0	0	0	111.6	C856 M860 A1104 A1105 C1110 V1111 F1112	C856-V1108 HydrophobicContact CB-CB 4.46Å; C856-V1108 HydrophobicContact CB-CG1 4.34Å; C856-V1108 HydrophobicContact CB-CG2 4.18Å; M860-V1108 HydrophobicContact CB-CG1 4.16Å; A1104-V1108 PolarHBondContact O-N 3.39Å; A1105-V1108 PolarHBondContact O-N 3.27Å; V1108-C1110 PolarHBondContact O-N 3.34Å; V1108-V1111 PolarHBondContact O-N 3.17Å; V1108-F1112 HydrophobicContact CG1-CD2 4.07Å; V1108-F1112 HydrophobicContact CG1-CE2 4.18Å; V1108-F1112 WeakPolarHBondContact O-CD2 3.26Å; V1108-F1112 PolarHBondContact O-N 3.22Å
1109	N	87.4	Confident	85.8	Confident	11 Å²	11	31.6 Å²	31.6	6%	0.059	17%	0.173	C	C	.	.	H	α-helix	trans	-55.2	-51.7	174.2	179	76.4	0	0	0	111.8	L859 Q863 W1086 A1105 T1106 F1107 V1111 F1112 C1113	L859-N1109 HydrophobicContact CB-CB 3.98Å; L859-N1109 HydrophobicContact CD1-CB 4.16Å; L859-N1109 HydrophobicContact CD2-CB 4.43Å; L859-N1109 HydrophobicContact CG-CB 4.42Å; Q863-N1109 PolarHBondContact NE2-OD1 3.07Å; W1086-N1109 HydrophobicContact CH2-CB 4.39Å; A1105-N1109 PolarHBondContact O-N 2.65Å; T1106-N1109 WeakPolarHBondContact O-CB 3.27Å; T1106-N1109 PolarHBondContact O-N 3.32Å; F1107-N1109 VanDerWaalsContact C-N 3.34Å; F1107-N1109 PolarHBondContact O-N 3.17Å; N1109-V1111 VanDerWaalsContact C-N 3.34Å; N1109-V1111 PolarHBondContact O-N 3.48Å; N1109-F1112 PolarHBondContact O-N 3.44Å; N1109-C1113 WeakPolarHBondContact O-CB 3.44Å; N1109-C1113 PolarHBondContact O-N 2.94Å
1110	C	88	Confident	85.9	Confident	12 Å²	12	31.7 Å²	31.7	8%	0.081	17%	0.173	C	C	.	.	H	α-helix	trans	-68.3	-31.4	-176	-63.1	0	0	0	0	112.7	I661 T665 T1106 F1107 V1108 C1113 W1114	I661-C1110 HydrophobicContact CG2-CB 4.16Å; I661-C1110 VanDerWaalsContact CG2-O 3.23Å; I661-C1110 WeakPolarHBondContact CG2-O 2.98Å; T665-C1110 HydrophobicContact CG2-CB 4.39Å; T665-C1110 WeakPolarHBondContact OG1-CB 3.24Å; T1106-C1110 PolarHBondContact O-N 3.28Å; T1106-C1110 PolarHBondContact O-SG 3.35Å; F1107-C1110 PolarHBondContact O-N 3.4Å; V1108-C1110 PolarHBondContact O-N 3.34Å; C1110-C1113 WeakPolarHBondContact O-CB 3.27Å; C1110-W1114 WeakPolarHBondContact O-CB 3.49Å; C1110-W1114 PolarHBondContact O-N 3.28Å
1111	V	91.1	Very high	85.6	Confident	44 Å²	44	31.2 Å²	31.2	27%	0.267	17%	0.172	S	C	.	.	H	α-helix	trans	-62.4	-54.4	173.2	170.6	0	0	0	0	111.7	T665 F1107 V1108 N1109 C1113 W1114 V1115	T665-V1111 HydrophobicContact CG2-CG2 3.82Å; F1107-V1111 HydrophobicContact CD1-CG2 4.4Å; F1107-V1111 HydrophobicContact CE1-CG2 4.02Å; F1107-V1111 HydrophobicContact CE2-CG2 4.24Å; F1107-V1111 HydrophobicContact CZ-CG2 3.94Å; F1107-V1111 WeakPolarHBondContact O-CG2 3.38Å; F1107-V1111 PolarHBondContact O-N 3.29Å; V1108-V1111 PolarHBondContact O-N 3.17Å; N1109-V1111 VanDerWaalsContact C-N 3.34Å; N1109-V1111 PolarHBondContact O-N 3.48Å; V1111-C1113 VanDerWaalsContact C-N 3.29Å; V1111-C1113 PolarHBondContact O-N 3.37Å; V1111-W1114 PolarHBondContact O-N 3.08Å; V1111-W1114 VanDerWaalsContact O-N 3.13Å; V1111-V1115 WeakPolarHBondContact O-CG2 3.34Å; V1111-V1115 PolarHBondContact O-N 3.46Å
1112	F	89.8	Confident	85.6	Confident	58 Å²	58	34.1 Å²	34.1	25%	0.254	19%	0.191	S	C	.	.	H	α-helix	trans	-68.8	-29.3	-179.8	-77.1	-86.1	0	0	0	112.9	M860 Q863 L864 V1108 N1109 T1116	M860-F1112 HydrophobicContact CB-CD2 4.18Å; M860-F1112 HydrophobicContact CB-CE2 4.23Å; M860-F1112 HydrophobicContact CG-CD1 4.1Å; M860-F1112 HydrophobicContact CG-CD2 3.71Å; M860-F1112 HydrophobicContact CG-CE1 3.91Å; M860-F1112 HydrophobicContact CG-CE2 3.52Å; M860-F1112 HydrophobicContact CG-CG 4Å; M860-F1112 HydrophobicContact CG-CZ 3.63Å; M860-F1112 HydrophobicContact SD-CE1 4.17Å; M860-F1112 HydrophobicContact SD-CE2 3.72Å; M860-F1112 HydrophobicContact SD-CZ 3.51Å; M860-F1112 VanDerWaalsContact SD-CZ 3.51Å; Q863-F1112 HydrophobicContact CB-CB 3.67Å; Q863-F1112 HydrophobicContact CG-CB 4.24Å; L864-F1112 HydrophobicContact CD1-CE1 4.49Å; L864-F1112 HydrophobicContact CD2-CD1 3.8Å; L864-F1112 HydrophobicContact CD2-CE1 4.18Å; L864-F1112 HydrophobicContact CG-CD1 4.08Å; L864-F1112 HydrophobicContact CG-CE1 4.49Å; V1108-F1112 HydrophobicContact CG1-CD2 4.07Å; V1108-F1112 HydrophobicContact CG1-CE2 4.18Å; V1108-F1112 WeakPolarHBondContact O-CD2 3.26Å; V1108-F1112 PolarHBondContact O-N 3.22Å; N1109-F1112 PolarHBondContact O-N 3.44Å; F1112-T1116 WeakPolarHBondContact O-CG2 3.49Å; F1112-T1116 PolarHBondContact O-N 3.43Å; F1112-T1116 VanDerWaalsContact O-N 3.1Å; F1112-T1116 PolarHBondContact O-OG1 2.91Å
1113	C	87	Confident	85.5	Confident	12 Å²	12	35.9 Å²	35.9	8%	0.081	20%	0.199	C	C	.	.	H	α-helix	trans	-60.5	-42.7	169.4	-173.2	0	0	0	0	111.9	I661 Q863 T868 N1109 C1110 V1111 T1116 A1117	I661-C1113 VanDerWaalsContact CD1-SG 3.55Å; I661-C1113 HydrophobicContact CG2-CB 4.15Å; Q863-C1113 HydrophobicContact CG-CB 4.12Å; T868-C1113 VanDerWaalsContact CG2-SG 3.56Å; T868-C1113 PolarHBondContact OG1-SG 3.24Å; N1109-C1113 WeakPolarHBondContact O-CB 3.44Å; N1109-C1113 PolarHBondContact O-N 2.94Å; C1110-C1113 WeakPolarHBondContact O-CB 3.27Å; V1111-C1113 VanDerWaalsContact C-N 3.29Å; V1111-C1113 PolarHBondContact O-N 3.37Å; C1113-T1116 PolarHBondContact O-OG1 2.91Å; C1113-A1117 VanDerWaalsContact O-CB 3.24Å; C1113-A1117 WeakPolarHBondContact O-CB 3.47Å; C1113-A1117 PolarHBondContact O-N 2.79Å; C1113-A1117 VanDerWaalsContact O-N 3.12Å
1114	W	87	Confident	85.2	Confident	121 Å²	121	35.9 Å²	35.9	46%	0.458	20%	0.198	S	C	.	.	H	α-helix	trans	-71.2	-43.3	177.5	-178.1	29.6	0	0	0	112.6	I661 C1110 V1111 T1116 A1117 S1118	I661-W1114 HydrophobicContact CB-CB 4.47Å; I661-W1114 HydrophobicContact CG2-CB 3.89Å; C1110-W1114 WeakPolarHBondContact O-CB 3.49Å; C1110-W1114 PolarHBondContact O-N 3.28Å; V1111-W1114 PolarHBondContact O-N 3.08Å; V1111-W1114 VanDerWaalsContact O-N 3.13Å; W1114-T1116 PolarHBondContact O-N 3.23Å; W1114-A1117 PolarHBondContact O-N 3.5Å; W1114-S1118 WeakPolarHBondContact O-CB 3.3Å; W1114-S1118 PolarHBondContact O-N 3.2Å; W1114-S1118 PolarHBondContact O-OG 3.33Å
1115	V	86.8	Confident	84.7	Confident	73 Å²	73	38.7 Å²	38.7	44%	0.442	21%	0.213	S	C	.	.	H	α-helix	trans	-59	-48	177.7	171.2	0	0	0	0	111.3	V1111 S1118 T1119	V1111-V1115 WeakPolarHBondContact O-CG2 3.34Å; V1111-V1115 PolarHBondContact O-N 3.46Å; V1115-S1118 PolarHBondContact O-OG 3.36Å; V1115-T1119 WeakPolarHBondContact O-CB 3.5Å; V1115-T1119 WeakPolarHBondContact O-CG2 3.38Å; V1115-T1119 PolarHBondContact O-N 2.85Å; V1115-T1119 PolarHBondContact O-OG1 2.67Å
1116	T	84.5	Confident	84.5	Confident	7 Å²	7	42.4 Å²	42.4	4%	0.043	24%	0.244	C	C	.	.	H	α-helix	trans	-66.2	-48.7	178.9	51	0	0	0	0	111.7	C869 F1112 C1113 W1114 S1118 T1119 F1120	C869-T1116 PolarHBondContact SG-O 3.19Å; F1112-T1116 WeakPolarHBondContact O-CG2 3.49Å; F1112-T1116 PolarHBondContact O-N 3.43Å; F1112-T1116 VanDerWaalsContact O-N 3.1Å; F1112-T1116 PolarHBondContact O-OG1 2.91Å; C1113-T1116 PolarHBondContact O-OG1 2.91Å; W1114-T1116 PolarHBondContact O-N 3.23Å; T1116-S1118 VanDerWaalsContact C-N 3.31Å; T1116-S1118 PolarHBondContact O-N 3.33Å; T1116-T1119 PolarHBondContact O-N 3.32Å; T1116-T1119 PolarHBondContact O-OG1 2.83Å; T1116-F1120 PolarHBondContact O-N 3.5Å
1117	A	80.1	Confident	84.3	Confident	3 Å²	3	46 Å²	46	3%	0.025	26%	0.262	C	S	.	.	H	α-helix	trans	-66.2	-26.2	-178.1	0	0	0	0	0	114.6	I661 T868 F872 Y873 C1113 W1114	I661-A1117 HydrophobicContact CD1-CB 4.17Å; T868-A1117 HydrophobicContact CG2-CB 3.95Å; F872-A1117 HydrophobicContact CD2-CB 4.36Å; Y873-A1117 VanDerWaalsContact CE2-O 3.23Å; Y873-A1117 WeakPolarHBondContact CE2-O 3.21Å; Y873-A1117 PolarHBondContact OH-O 3.3Å; C1113-A1117 VanDerWaalsContact O-CB 3.24Å; C1113-A1117 WeakPolarHBondContact O-CB 3.47Å; C1113-A1117 PolarHBondContact O-N 2.79Å; C1113-A1117 VanDerWaalsContact O-N 3.12Å; W1114-A1117 PolarHBondContact O-N 3.5Å
1118	S	80.7	Confident	84	Confident	41 Å²	41	44.8 Å²	44.8	29%	0.287	26%	0.261	S	S	.	.	H	α-helix	trans	-84.9	-31.8	177.4	53.7	0	0	0	0	113.4	W1114 V1115 T1116	W1114-S1118 WeakPolarHBondContact O-CB 3.3Å; W1114-S1118 PolarHBondContact O-N 3.2Å; W1114-S1118 PolarHBondContact O-OG 3.33Å; V1115-S1118 PolarHBondContact O-OG 3.36Å; T1116-S1118 VanDerWaalsContact C-N 3.31Å; T1116-S1118 PolarHBondContact O-N 3.33Å
1119	T	83.7	Confident	83.8	Confident	59 Å²	59	43.9 Å²	43.9	36%	0.362	25%	0.254	S	S	.	.	H	α-helix	trans	-86	-22.5	-176.2	51.9	0	0	0	0	114.4	V1115 T1116 L1121 S1122 L1123	V1115-T1119 WeakPolarHBondContact O-CB 3.5Å; V1115-T1119 WeakPolarHBondContact O-CG2 3.38Å; V1115-T1119 PolarHBondContact O-N 2.85Å; V1115-T1119 PolarHBondContact O-OG1 2.67Å; T1116-T1119 PolarHBondContact O-N 3.32Å; T1116-T1119 PolarHBondContact O-OG1 2.83Å; T1119-L1121 PolarHBondContact O-N 3.06Å; T1119-S1122 PolarHBondContact O-N 3.24Å; T1119-L1123 WeakPolarHBondContact O-CB 3.49Å; T1119-L1123 PolarHBondContact O-N 2.99Å
1120	F	81.3	Confident	83.8	Confident	5 Å²	5	45.1 Å²	45.1	2%	0.022	26%	0.26	C	S	.	.	H	α-helix	trans	-44.7	-56.4	-172	178	-105.8	0	0	0	115.1	C869 Y873 I877 T1116 L1123 S1124 L1132 F1133 F1136	C869-F1120 HydrophobicContact CB-CB 4.06Å; C869-F1120 HydrophobicContact CB-CD2 3.5Å; C869-F1120 VanDerWaalsContact CB-CD2 3.5Å; C869-F1120 HydrophobicContact CB-CE2 4.1Å; C869-F1120 HydrophobicContact CB-CG 3.83Å; Y873-F1120 HydrophobicContact CD2-CB 4.2Å; Y873-F1120 AromaticContact CD2-CD1 3.43Å; Y873-F1120 HydrophobicContact CD2-CD1 3.43Å; Y873-F1120 VanDerWaalsContact CD2-CD1 3.43Å; Y873-F1120 HydrophobicContact CD2-CE1 4.08Å; Y873-F1120 AromaticContact CD2-CG 4Å; Y873-F1120 HydrophobicContact CD2-CG 4Å; Y873-F1120 HydrophobicContact CE2-CB 4.05Å; Y873-F1120 HydrophobicContact CE2-CD1 4.01Å; Y873-F1120 HydrophobicContact CE2-CG 4.34Å; Y873-F1120 AromaticContact CG-CD1 3.85Å; Y873-F1120 HydrophobicContact CG-CD1 3.85Å; Y873-F1120 HydrophobicContact CG-CE1 4.14Å; I877-F1120 HydrophobicContact CD1-CE1 4.36Å; I877-F1120 HydrophobicContact CD1-CZ 3.79Å; I877-F1120 HydrophobicContact CG1-CE1 4.22Å; I877-F1120 HydrophobicContact CG1-CZ 3.85Å; T1116-F1120 PolarHBondContact O-N 3.5Å; F1120-L1123 PolarHBondContact O-N 3.08Å; F1120-S1124 PolarHBondContact O-N 3.39Å; F1120-S1124 VanDerWaalsContact O-N 3.08Å; F1120-L1132 HydrophobicContact CD2-CD2 3.72Å; F1120-L1132 HydrophobicContact CE2-CD2 3.59Å; F1120-L1132 HydrophobicContact CZ-CD2 4.36Å; F1120-F1133 HydrophobicContact CE2-CE1 4.43Å; F1120-F1133 HydrophobicContact CE2-CZ 4.21Å; F1120-F1133 HydrophobicContact CZ-CZ 4.38Å; F1120-F1136 HydrophobicContact CD2-CE2 4.34Å
1121	L	75.5	Confident	83.8	Confident	42 Å²	42	45.3 Å²	45.3	22%	0.22	26%	0.264	C	S	.	.	H	α-helix	trans	-67.7	-43.2	-173.7	-170.5	63.5	0	0	0	111.6	M880 T1119 L1123 S1124 T1125	M880-L1121 HydrophobicContact CE-CD1 3.7Å; T1119-L1121 PolarHBondContact O-N 3.06Å; L1121-L1123 VanDerWaalsContact C-N 3.3Å; L1121-L1123 PolarHBondContact O-N 3.25Å; L1121-S1124 PolarHBondContact O-N 2.7Å; L1121-S1124 PolarHBondContact O-OG 2.99Å; L1121-T1125 PolarHBondContact O-N 3.22Å; L1121-T1125 PolarHBondContact O-OG1 3.06Å
1122	S	81.5	Confident	83.7	Confident	66 Å²	66	43.2 Å²	43.2	46%	0.462	25%	0.251	S	S	.	.	H	α-helix	trans	-64.5	-33.9	178.5	-47.1	0	0	0	0	112.6	T1119 T1125 A1126	T1119-S1122 PolarHBondContact O-N 3.24Å; S1122-T1125 PolarHBondContact O-OG1 3.32Å; S1122-A1126 PolarHBondContact O-N 2.92Å
1123	L	83.2	Confident	83.8	Confident	48 Å²	48	40.6 Å²	40.6	25%	0.251	24%	0.24	S	C	.	.	H	α-helix	trans	-76.5	-31.7	179	-158.3	57.8	0	0	0	111.7	T1119 F1120 L1121 T1125 A1126 I1127 L1132 L1135	T1119-L1123 WeakPolarHBondContact O-CB 3.49Å; T1119-L1123 PolarHBondContact O-N 2.99Å; F1120-L1123 PolarHBondContact O-N 3.08Å; L1121-L1123 VanDerWaalsContact C-N 3.3Å; L1121-L1123 PolarHBondContact O-N 3.25Å; L1123-T1125 VanDerWaalsContact C-N 3.31Å; L1123-T1125 PolarHBondContact O-N 3.17Å; L1123-A1126 PolarHBondContact O-N 2.89Å; L1123-I1127 HydrophobicContact CD1-CD1 3.63Å; L1123-I1127 HydrophobicContact CD1-CG1 4.01Å; L1123-I1127 HydrophobicContact CG-CD1 4.03Å; L1123-I1127 HydrophobicContact CG-CG1 4.44Å; L1123-I1127 PolarHBondContact O-N 3.23Å; L1123-I1127 VanDerWaalsContact O-N 3.14Å; L1123-L1132 HydrophobicContact CB-CD1 3.95Å; L1123-L1132 HydrophobicContact CD2-CD1 3.61Å; L1123-L1132 HydrophobicContact CG-CD1 3.78Å; L1123-L1135 HydrophobicContact CD2-CD2 3.78Å
1124	S	79.8	Confident	84	Confident	7 Å²	7	44.5 Å²	44.5	5%	0.049	26%	0.255	C	S	.	.	H	α-helix	trans	-65.2	-30.6	174.7	78.1	0	0	0	0	113.6	F1120 L1121 T1128 R1129	F1120-S1124 PolarHBondContact O-N 3.39Å; F1120-S1124 VanDerWaalsContact O-N 3.08Å; L1121-S1124 PolarHBondContact O-N 2.7Å; L1121-S1124 PolarHBondContact O-OG 2.99Å; S1124-T1128 CarbonylContact O-C 3.6Å; S1124-T1128 VanDerWaalsContact O-CA 3.3Å; S1124-T1128 WeakPolarHBondContact O-CA 3.24Å; S1124-R1129 PolarHBondContact O-N 3.41Å
1125	T	78.6	Confident	84.2	Confident	88 Å²	88	41.8 Å²	41.8	54%	0.54	25%	0.249	S	C	.	.	H	α-helix	trans	-81.5	-25.9	174	45.1	0	0	0	0	113.1	L1121 S1122 L1123	L1121-T1125 PolarHBondContact O-N 3.22Å; L1121-T1125 PolarHBondContact O-OG1 3.06Å; S1122-T1125 PolarHBondContact O-OG1 3.32Å; L1123-T1125 VanDerWaalsContact C-N 3.31Å; L1123-T1125 PolarHBondContact O-N 3.17Å
1126	A	81.8	Confident	84.4	Confident	79 Å²	79	38.7 Å²	38.7	65%	0.653	23%	0.23	S	C	*	.	H	α-helix	trans	-86.7	-40.1	-174	0	0	0	0	0	114.1	S1122 L1123	S1122-A1126 PolarHBondContact O-N 2.92Å; L1123-A1126 PolarHBondContact O-N 2.89Å
1127	I	81.6	Confident	84.6	Confident	78 Å²	78	38.6 Å²	38.6	40%	0.4	23%	0.23	S	C	.	.	S	Bend	trans	-105.9	4	-177.2	-38.7	-176.9	0	0	0	111.5	L1123 L1135	L1123-I1127 HydrophobicContact CD1-CD1 3.63Å; L1123-I1127 HydrophobicContact CD1-CG1 4.01Å; L1123-I1127 HydrophobicContact CG-CD1 4.03Å; L1123-I1127 HydrophobicContact CG-CG1 4.44Å; L1123-I1127 PolarHBondContact O-N 3.23Å; L1123-I1127 VanDerWaalsContact O-N 3.14Å; I1127-L1135 HydrophobicContact CD1-CD2 4.38Å
1128	T	84.9	Confident	85.1	Confident	55 Å²	55	41.4 Å²	41.4	34%	0.337	25%	0.249	S	C	.	.	H	α-helix	trans	67.9	160.5	-158.1	75.8	0	0	0	0	114	S1124 Q1130 G1131 L1132	S1124-T1128 CarbonylContact O-C 3.6Å; S1124-T1128 VanDerWaalsContact O-CA 3.3Å; S1124-T1128 WeakPolarHBondContact O-CA 3.24Å; T1128-Q1130 VanDerWaalsContact C-N 3.29Å; T1128-Q1130 PolarHBondContact O-N 3.46Å; T1128-Q1130 VanDerWaalsContact OG1-CG 3.26Å; T1128-Q1130 WeakPolarHBondContact OG1-CG 3.34Å; T1128-Q1130 PolarHBondContact OG1-NE2 3.38Å; T1128-Q1130 PolarHBondContact OG1-OE1 3.42Å; T1128-G1131 PolarHBondContact O-N 3.28Å; T1128-G1131 PolarHBondContact OG1-N 3.1Å; T1128-L1132 PolarHBondContact O-N 3.28Å
1129	R	85.5	Confident	85.5	Confident	13 Å²	13	42.3 Å²	42.3	5%	0.049	25%	0.251	C	S	.	.	H	α-helix	trans	-56.4	-43.4	178.2	-67.7	164.2	-170.5	153.6	1.5	111.3	F938 D975 S978 Y979 S1124 F1133	F938-R1129 HydrophobicContact CB-CB 3.95Å; F938-R1129 HydrophobicContact CD1-CB 3.84Å; F938-R1129 HydrophobicContact CD1-CG 4.35Å; F938-R1129 HydrophobicContact CD2-CB 3.99Å; F938-R1129 HydrophobicContact CE1-CB 4.34Å; F938-R1129 HydrophobicContact CE2-CB 4.46Å; F938-R1129 HydrophobicContact CG-CB 3.66Å; D975-R1129 IonicContact OD1-CZ 3.56Å; D975-R1129 IonicContact OD1-NH1 2.73Å; D975-R1129 PolarHBondContact OD1-NH1 2.93Å; S978-R1129 PolarHBondContact O-NH2 2.74Å; S978-R1129 PolarHBondContact OG-NH1 3.08Å; S978-R1129 PolarHBondContact OG-NH2 3.1Å; Y979-R1129 HydrophobicContact CE1-CG 3.85Å; Y979-R1129 WeakPolarHBondContact OH-CD 3.31Å; Y979-R1129 WeakPolarHBondContact OH-CG 3.27Å; Y979-R1129 PolarHBondContact OH-N 3.21Å; Y979-R1129 VanDerWaalsContact OH-N 3.12Å; S1124-R1129 PolarHBondContact O-N 3.41Å; R1129-F1133 WeakPolarHBondContact O-CD2 3.05Å; R1129-F1133 WeakPolarHBondContact O-CE2 3.05Å
1130	Q	87.1	Confident	85.7	Confident	36 Å²	36	39.7 Å²	39.7	17%	0.168	24%	0.235	C	C	.	.	H	α-helix	trans	-65.4	-44.6	178.8	55	-81.6	20.9	0	0	112.5	G935 F938 T1128 L1132 F1133 F1134	G935-Q1130 WeakPolarHBondContact O-CB 3.43Å; F938-Q1130 HydrophobicContact CB-CB 4.03Å; T1128-Q1130 VanDerWaalsContact C-N 3.29Å; T1128-Q1130 PolarHBondContact O-N 3.46Å; T1128-Q1130 VanDerWaalsContact OG1-CG 3.26Å; T1128-Q1130 WeakPolarHBondContact OG1-CG 3.34Å; T1128-Q1130 PolarHBondContact OG1-NE2 3.38Å; T1128-Q1130 PolarHBondContact OG1-OE1 3.42Å; Q1130-L1132 VanDerWaalsContact C-N 3.31Å; Q1130-L1132 PolarHBondContact O-N 3.36Å; Q1130-F1133 PolarHBondContact O-N 3.17Å; Q1130-F1134 HydrophobicContact CB-CE2 4.48Å; Q1130-F1134 WeakPolarHBondContact O-CD2 3.25Å; Q1130-F1134 PolarHBondContact O-N 3.41Å
1131	G	88.7	Confident	86	Confident	16 Å²	16	42.3 Å²	42.3	17%	0.165	25%	0.252	C	S	.	.	H	α-helix	trans	-61.3	-36.4	179.8	0	0	0	0	0	113.7	T1128 F1133 F1134 L1135	T1128-G1131 PolarHBondContact O-N 3.28Å; T1128-G1131 PolarHBondContact OG1-N 3.1Å; G1131-F1133 PolarHBondContact O-N 3.13Å; G1131-F1134 PolarHBondContact O-N 3.48Å; G1131-L1135 PolarHBondContact O-N 2.84Å
1132	L	89.5	Confident	86.6	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-58.6	-43.1	176.5	174.8	59	0	0	0	113.3	F1120 L1123 T1128 Q1130 L1135 F1136	F1120-L1132 HydrophobicContact CD2-CD2 3.72Å; F1120-L1132 HydrophobicContact CE2-CD2 3.59Å; F1120-L1132 HydrophobicContact CZ-CD2 4.36Å; L1123-L1132 HydrophobicContact CB-CD1 3.95Å; L1123-L1132 HydrophobicContact CD2-CD1 3.61Å; L1123-L1132 HydrophobicContact CG-CD1 3.78Å; T1128-L1132 PolarHBondContact O-N 3.28Å; Q1130-L1132 VanDerWaalsContact C-N 3.31Å; Q1130-L1132 PolarHBondContact O-N 3.36Å; L1132-L1135 WeakPolarHBondContact O-CB 3.3Å; L1132-L1135 PolarHBondContact O-N 2.73Å; L1132-F1136 HydrophobicContact CD1-CD2 4.25Å; L1132-F1136 HydrophobicContact CD1-CE2 3.59Å; L1132-F1136 HydrophobicContact CD1-CZ 3.88Å; L1132-F1136 HydrophobicContact CD2-CE2 4.5Å; L1132-F1136 HydrophobicContact CG-CD2 4.4Å; L1132-F1136 HydrophobicContact CG-CE2 3.89Å; L1132-F1136 PolarHBondContact O-N 3.47Å
1133	F	90.8	Very high	86.8	Confident	4 Å²	4	41.5 Å²	41.5	2%	0.018	25%	0.246	C	C	.	.	H	α-helix	trans	-75.2	-31.1	-177.5	-66.2	-70.8	0	0	0	112.7	L931 M934 F938 F1120 R1129 Q1130 G1131 L1135 F1136 A1137	L931-F1133 HydrophobicContact CD2-CD1 4.12Å; L931-F1133 WeakPolarHBondContact O-CB 3.22Å; M934-F1133 HydrophobicContact CB-CB 3.95Å; M934-F1133 HydrophobicContact CB-CD1 3.8Å; M934-F1133 HydrophobicContact CB-CD2 3.92Å; M934-F1133 HydrophobicContact CB-CE1 4.33Å; M934-F1133 HydrophobicContact CB-CE2 4.46Å; M934-F1133 HydrophobicContact CB-CG 3.59Å; M934-F1133 HydrophobicContact CE-CD1 4Å; M934-F1133 HydrophobicContact CE-CE1 3.36Å; M934-F1133 HydrophobicContact CE-CE2 4.12Å; M934-F1133 HydrophobicContact CE-CZ 3.45Å; M934-F1133 VanDerWaalsContact CE-CZ 3.45Å; M934-F1133 HydrophobicContact CG-CD1 4.41Å; M934-F1133 HydrophobicContact SD-CD1 3.8Å; M934-F1133 HydrophobicContact SD-CE1 3.68Å; M934-F1133 HydrophobicContact SD-CZ 4.35Å; F938-F1133 AromaticContact CD2-CD2 3.93Å; F938-F1133 HydrophobicContact CD2-CD2 3.93Å; F938-F1133 AromaticContact CD2-CE2 3.69Å; F938-F1133 HydrophobicContact CD2-CE2 3.69Å; F938-F1133 HydrophobicContact CE2-CD2 4.13Å; F938-F1133 AromaticContact CE2-CE2 3.45Å; F938-F1133 HydrophobicContact CE2-CE2 3.45Å; F938-F1133 VanDerWaalsContact CE2-CE2 3.45Å; F938-F1133 HydrophobicContact CE2-CZ 4.23Å; F1120-F1133 HydrophobicContact CE2-CE1 4.43Å; F1120-F1133 HydrophobicContact CE2-CZ 4.21Å; F1120-F1133 HydrophobicContact CZ-CZ 4.38Å; R1129-F1133 WeakPolarHBondContact O-CD2 3.05Å; R1129-F1133 WeakPolarHBondContact O-CE2 3.05Å; Q1130-F1133 PolarHBondContact O-N 3.17Å; G1131-F1133 PolarHBondContact O-N 3.13Å; F1133-L1135 VanDerWaalsContact C-N 3.3Å; F1133-L1135 PolarHBondContact O-N 2.04Å; F1133-F1136 HydrophobicContact CD1-CD2 4.46Å; F1133-F1136 PolarHBondContact O-N 2.95Å; F1133-A1137 PolarHBondContact O-N 3.35Å
1134	F	90.7	Very high	86.8	Confident	93 Å²	93	40.3 Å²	40.3	41%	0.408	24%	0.242	S	C	.	.	H	α-helix	trans	-64.4	-32.8	170.1	-68.5	-62.3	0	0	0	112.7	I932 V936 Q1130 G1131 A1137 S1138	I932-F1134 HydrophobicContact CG2-CE1 4.37Å; V936-F1134 HydrophobicContact CG2-CZ 4.21Å; Q1130-F1134 HydrophobicContact CB-CE2 4.48Å; Q1130-F1134 WeakPolarHBondContact O-CD2 3.25Å; Q1130-F1134 PolarHBondContact O-N 3.41Å; G1131-F1134 PolarHBondContact O-N 3.48Å; F1134-A1137 PolarHBondContact O-N 3.12Å; F1134-S1138 PolarHBondContact O-N 3.39Å
1135	L	91.2	Very high	87.1	Confident	64 Å²	64	45.1 Å²	45.1	34%	0.335	27%	0.266	S	S	.	.	H	α-helix	trans	-66.1	-44.4	174.8	-179.3	67	0	0	0	112.7	L1123 I1127 G1131 L1132 F1133 A1137 S1138 L1139	L1123-L1135 HydrophobicContact CD2-CD2 3.78Å; I1127-L1135 HydrophobicContact CD1-CD2 4.38Å; G1131-L1135 PolarHBondContact O-N 2.84Å; L1132-L1135 WeakPolarHBondContact O-CB 3.3Å; L1132-L1135 PolarHBondContact O-N 2.73Å; F1133-L1135 VanDerWaalsContact C-N 3.3Å; F1133-L1135 PolarHBondContact O-N 2.04Å; L1135-A1137 VanDerWaalsContact C-N 3.26Å; L1135-A1137 PolarHBondContact O-N 3.29Å; L1135-S1138 PolarHBondContact O-N 3.4Å; L1135-S1138 PolarHBondContact O-OG 2.94Å; L1135-L1139 PolarHBondContact O-N 2.64Å
1136	F	90.8	Very high	87.4	Confident	8 Å²	8	43.8 Å²	43.8	4%	0.035	26%	0.255	C	S	.	.	H	α-helix	trans	-64.7	-33	176.5	-68.5	-50.3	0	0	0	112.1	L931 F1120 L1132 F1133 L1139 S1140	L931-F1136 HydrophobicContact CD1-CB 3.69Å; L931-F1136 HydrophobicContact CD2-CB 3.87Å; L931-F1136 HydrophobicContact CD2-CD2 4.42Å; L931-F1136 HydrophobicContact CG-CB 4.29Å; F1120-F1136 HydrophobicContact CD2-CE2 4.34Å; L1132-F1136 HydrophobicContact CD1-CD2 4.25Å; L1132-F1136 HydrophobicContact CD1-CE2 3.59Å; L1132-F1136 HydrophobicContact CD1-CZ 3.88Å; L1132-F1136 HydrophobicContact CD2-CE2 4.5Å; L1132-F1136 HydrophobicContact CG-CD2 4.4Å; L1132-F1136 HydrophobicContact CG-CE2 3.89Å; L1132-F1136 PolarHBondContact O-N 3.47Å; F1133-F1136 HydrophobicContact CD1-CD2 4.46Å; F1133-F1136 PolarHBondContact O-N 2.95Å; F1136-L1139 PolarHBondContact O-N 2.99Å; F1136-S1140 WeakPolarHBondContact O-CB 3.4Å; F1136-S1140 PolarHBondContact O-N 3.17Å
1137	A	89.5	Confident	87.4	Confident	6 Å²	6	40.7 Å²	40.7	5%	0.05	23%	0.227	C	C	.	.	H	α-helix	trans	-64	-39.8	177.6	0	0	0	0	0	112.7	T928 L931 I932 F1133 F1134 L1135 T1141	T928-A1137 HydrophobicContact CG2-CB 4.21Å; L931-A1137 HydrophobicContact CB-CB 3.96Å; I932-A1137 HydrophobicContact CG1-CB 3.88Å; F1133-A1137 PolarHBondContact O-N 3.35Å; F1134-A1137 PolarHBondContact O-N 3.12Å; L1135-A1137 VanDerWaalsContact C-N 3.26Å; L1135-A1137 PolarHBondContact O-N 3.29Å; A1137-T1141 PolarHBondContact O-N 3.38Å; A1137-T1141 PolarHBondContact O-OG1 3.33Å
1138	S	90.8	Very high	87.5	Confident	61 Å²	61	43.7 Å²	43.7	43%	0.427	24%	0.235	S	C	.	.	H	α-helix	trans	-68.4	-43.2	177.1	68.9	0	0	0	0	112	F1134 L1135 S1140 T1141 T1142	F1134-S1138 PolarHBondContact O-N 3.39Å; L1135-S1138 PolarHBondContact O-N 3.4Å; L1135-S1138 PolarHBondContact O-OG 2.94Å; S1138-S1140 PolarHBondContact O-N 3.32Å; S1138-T1141 WeakPolarHBondContact O-CB 3.39Å; S1138-T1141 PolarHBondContact O-N 3.44Å; S1138-T1142 PolarHBondContact O-N 3.27Å; S1138-T1142 VanDerWaalsContact O-N 3.15Å; S1138-T1142 PolarHBondContact O-OG1 2.79Å
1139	L	89.2	Confident	87.5	Confident	60 Å²	60	45.2 Å²	45.2	31%	0.314	24%	0.24	S	C	.	.	H	α-helix	trans	-60.7	-43.2	176.7	-68	173.6	0	0	0	112.7	L1135 F1136 T1141 T1142 G1143	L1135-L1139 PolarHBondContact O-N 2.64Å; F1136-L1139 PolarHBondContact O-N 2.99Å; L1139-T1141 VanDerWaalsContact C-N 3.31Å; L1139-T1141 PolarHBondContact O-N 3.14Å; L1139-T1142 PolarHBondContact O-N 3.28Å; L1139-G1143 PolarHBondContact O-N 3.08Å; L1139-G1143 VanDerWaalsContact O-N 3.14Å
1140	S	86.9	Confident	87.4	Confident	4 Å²	4	46.1 Å²	46.1	3%	0.028	25%	0.246	C	C	.	.	H	α-helix	trans	-61.6	-38	176.2	-177.8	0	0	0	0	112.4	A924 T928 F1136 S1138 G1143 S1144	A924-S1140 PolarHBondContact O-OG 3.21Å; T928-S1140 VanDerWaalsContact OG1-CB 3.27Å; T928-S1140 WeakPolarHBondContact OG1-CB 3.45Å; T928-S1140 PolarHBondContact OG1-OG 3.29Å; F1136-S1140 WeakPolarHBondContact O-CB 3.4Å; F1136-S1140 PolarHBondContact O-N 3.17Å; S1138-S1140 PolarHBondContact O-N 3.32Å; S1140-G1143 PolarHBondContact O-N 3.37Å; S1140-S1144 PolarHBondContact O-N 3.44Å; S1140-S1144 VanDerWaalsContact O-N 3.11Å; S1140-S1144 PolarHBondContact O-OG 2.84Å
1141	T	87.5	Confident	87.1	Confident	61 Å²	61	44.5 Å²	44.5	37%	0.374	24%	0.238	S	C	.	.	H	α-helix	trans	-65.3	-46.3	178	-55.8	0	0	0	0	111.5	T928 A1137 S1138 L1139 G1143 S1144 I1145	T928-T1141 VanDerWaalsContact CG2-OG1 3.3Å; T928-T1141 WeakPolarHBondContact CG2-OG1 3.41Å; T928-T1141 PolarHBondContact OG1-OG1 3.24Å; A1137-T1141 PolarHBondContact O-N 3.38Å; A1137-T1141 PolarHBondContact O-OG1 3.33Å; S1138-T1141 WeakPolarHBondContact O-CB 3.39Å; S1138-T1141 PolarHBondContact O-N 3.44Å; L1139-T1141 VanDerWaalsContact C-N 3.31Å; L1139-T1141 PolarHBondContact O-N 3.14Å; T1141-G1143 PolarHBondContact O-N 3.14Å; T1141-S1144 VanDerWaalsContact O-CB 3.31Å; T1141-S1144 WeakPolarHBondContact O-CB 3.3Å; T1141-S1144 PolarHBondContact O-N 2.04Å; T1141-I1145 PolarHBondContact O-N 3.29Å
1142	T	88.9	Confident	86.8	Confident	87 Å²	87	44.6 Å²	44.6	53%	0.534	24%	0.236	S	C	.	.	H	α-helix	trans	-60.4	-42.5	176.4	-56.6	0	0	0	0	112.3	S1138 L1139 S1144 I1145 L1146	S1138-T1142 PolarHBondContact O-N 3.27Å; S1138-T1142 VanDerWaalsContact O-N 3.15Å; S1138-T1142 PolarHBondContact O-OG1 2.79Å; L1139-T1142 PolarHBondContact O-N 3.28Å; T1142-S1144 VanDerWaalsContact C-N 3.32Å; T1142-S1144 PolarHBondContact O-N 2.79Å; T1142-I1145 PolarHBondContact O-N 3.12Å; T1142-L1146 PolarHBondContact O-N 3.45Å
1143	G	85.6	Confident	86.4	Confident	3 Å²	3	46.5 Å²	46.5	3%	0.031	25%	0.245	C	C	.	.	H	α-helix	trans	-62.7	-36.1	176.1	0	0	0	0	0	113.8	L1139 S1140 T1141 I1145 L1146 M1147	L1139-G1143 PolarHBondContact O-N 3.08Å; L1139-G1143 VanDerWaalsContact O-N 3.14Å; S1140-G1143 PolarHBondContact O-N 3.37Å; T1141-G1143 PolarHBondContact O-N 3.14Å; G1143-I1145 PolarHBondContact O-N 3.17Å; G1143-L1146 PolarHBondContact O-N 3.16Å; G1143-M1147 WeakPolarHBondContact O-CG 3.2Å; G1143-M1147 PolarHBondContact O-N 3.4Å; G1143-M1147 VanDerWaalsContact O-N 3.12Å
1144	S	83.1	Confident	85.9	Confident	23 Å²	23	46.6 Å²	46.6	16%	0.161	25%	0.246	C	C	.	.	H	α-helix	trans	-60	-45.2	176.9	-55.5	0	0	0	0	111.9	A924 S1140 T1141 T1142 Y1148	A924-S1144 WeakPolarHBondContact CB-OG 3.37Å; S1140-S1144 PolarHBondContact O-N 3.44Å; S1140-S1144 VanDerWaalsContact O-N 3.11Å; S1140-S1144 PolarHBondContact O-OG 2.84Å; T1141-S1144 VanDerWaalsContact O-CB 3.31Å; T1141-S1144 WeakPolarHBondContact O-CB 3.3Å; T1141-S1144 PolarHBondContact O-N 2.04Å; T1142-S1144 VanDerWaalsContact C-N 3.32Å; T1142-S1144 PolarHBondContact O-N 2.79Å; S1144-Y1148 PolarHBondContact O-N 2.89Å
1145	I	85.8	Confident	85.3	Confident	109 Å²	109	44.7 Å²	44.7	56%	0.559	24%	0.237	S	C	*	.	H	α-helix	trans	-65.8	-43.2	-179.2	-63.1	167.2	0	0	0	110.6	T1141 T1142 G1143 Y1148	T1141-I1145 PolarHBondContact O-N 3.29Å; T1142-I1145 PolarHBondContact O-N 3.12Å; G1143-I1145 PolarHBondContact O-N 3.17Å; I1145-Y1148 WeakPolarHBondContact O-CB 3.38Å; I1145-Y1148 PolarHBondContact O-N 2.84Å
1146	L	85.4	Confident	84.2	Confident	60 Å²	60	44 Å²	44	31%	0.314	25%	0.245	S	C	.	.	H	α-helix	trans	-66.4	-43.4	-179	-167.2	75.1	0	0	0	112.4	F861 T1142 G1143 Y1148 L1149 I1150	F861-L1146 HydrophobicContact CD2-CD2 4.27Å; F861-L1146 HydrophobicContact CE2-CD2 3.4Å; F861-L1146 HydrophobicContact CZ-CD2 3.99Å; T1142-L1146 PolarHBondContact O-N 3.45Å; G1143-L1146 PolarHBondContact O-N 3.16Å; L1146-Y1148 PolarHBondContact O-N 3.4Å; L1146-L1149 PolarHBondContact O-N 3.19Å; L1146-L1149 VanDerWaalsContact O-N 3.16Å; L1146-I1150 HydrophobicContact CD1-CD1 3.75Å; L1146-I1150 HydrophobicContact CD2-CD1 4.39Å; L1146-I1150 HydrophobicContact CG-CD1 3.84Å; L1146-I1150 PolarHBondContact O-N 3.21Å
1147	M	82.7	Confident	83.3	Confident	14 Å²	14	45 Å²	45	7%	0.069	25%	0.25	C	S	.	.	H	α-helix	trans	-62.3	-28.4	178.8	-71.2	-62.4	132.1	0	0	112.7	S857 V858 F861 I920 L921 G1143 L1149 L1151	S857-M1147 VanDerWaalsContact C-CE 3.48Å; V858-M1147 HydrophobicContact CB-SD 4.33Å; V858-M1147 HydrophobicContact CG2-CE 4.1Å; V858-M1147 HydrophobicContact CG2-SD 3.53Å; V858-M1147 VanDerWaalsContact CG2-SD 3.53Å; F861-M1147 HydrophobicContact CD2-CE 3.88Å; I920-M1147 HydrophobicContact CG2-CG 4.29Å; L921-M1147 HydrophobicContact CD2-CB 3.71Å; G1143-M1147 WeakPolarHBondContact O-CG 3.2Å; G1143-M1147 PolarHBondContact O-N 3.4Å; G1143-M1147 VanDerWaalsContact O-N 3.12Å; M1147-L1149 VanDerWaalsContact C-N 3.32Å; M1147-L1149 PolarHBondContact O-N 3.17Å; M1147-L1151 WeakPolarHBondContact O-CB 3.39Å; M1147-L1151 HydrophobicContact SD-CD2 4.49Å
1148	Y	83.5	Confident	82.5	Confident	141 Å²	141	46 Å²	46	55%	0.553	26%	0.258	S	S	*	.	H	α-helix	trans	-65.7	-35.4	177.7	177.1	-107.1	0	0	0	112	R917 L921 S1144 I1145 L1146	R917-Y1148 PolarHBondContact NH2-O 3.15Å; L921-Y1148 HydrophobicContact CD1-CD2 3.96Å; S1144-Y1148 PolarHBondContact O-N 2.89Å; I1145-Y1148 WeakPolarHBondContact O-CB 3.38Å; I1145-Y1148 PolarHBondContact O-N 2.84Å; L1146-Y1148 PolarHBondContact O-N 3.4Å
1149	L	83.9	Confident	81.6	Confident	86 Å²	86	43.4 Å²	43.4	45%	0.45	24%	0.239	S	C	.	.	H	α-helix	trans	-84.8	-36.6	-172	-61.7	172.5	0	0	0	113.9	L1146 M1147 W1172	L1146-L1149 PolarHBondContact O-N 3.19Å; L1146-L1149 VanDerWaalsContact O-N 3.16Å; M1147-L1149 VanDerWaalsContact C-N 3.32Å; M1147-L1149 PolarHBondContact O-N 3.17Å; L1149-W1172 PolarHBondContact O-N 2.89Å
1150	I	83.3	Confident	80.7	Confident	33 Å²	33	46 Å²	46	17%	0.169	25%	0.249	C	C	.	.	H	α-helix	trans	-104.6	-32.2	-164.4	-46.2	-179.6	0	0	0	113.4	I854 L1146 P1152 W1170	I854-I1150 HydrophobicContact CD1-CG2 4.23Å; I854-I1150 HydrophobicContact CG1-CG2 3.76Å; L1146-I1150 HydrophobicContact CD1-CD1 3.75Å; L1146-I1150 HydrophobicContact CD2-CD1 4.39Å; L1146-I1150 HydrophobicContact CG-CD1 3.84Å; L1146-I1150 PolarHBondContact O-N 3.21Å; I1150-P1152 VanDerWaalsContact O-CD 3.27Å; I1150-P1152 WeakPolarHBondContact O-CD 3.46Å; I1150-W1170 HydrophobicContact CD1-CH2 4.16Å; I1150-W1170 HydrophobicContact CD1-CZ3 3.9Å; I1150-W1170 HydrophobicContact CG1-CZ3 4.32Å
1151	L	81.9	Confident	80.2	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.01	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-76.3	117.7	-165.3	-177.8	61.8	0	0	0	112.6	I854 V858 R917 I920 V1088 M1147	I854-L1151 HydrophobicContact CG2-CD1 3.73Å; V858-L1151 HydrophobicContact CG2-CD1 4Å; R917-L1151 HydrophobicContact CB-CD2 4.18Å; R917-L1151 HydrophobicContact CB-CG 4.14Å; R917-L1151 WeakPolarHBondContact CD-O 3.3Å; R917-L1151 HydrophobicContact CG-CB 4.12Å; R917-L1151 HydrophobicContact CG-CD2 4.06Å; R917-L1151 HydrophobicContact CG-CG 4Å; R917-L1151 WeakPolarHBondContact CG-O 3.5Å; R917-L1151 PolarHBondContact NE-O 3.3Å; I920-L1151 HydrophobicContact CB-CD2 4.38Å; I920-L1151 HydrophobicContact CD1-CD2 3.87Å; I920-L1151 HydrophobicContact CG2-CD2 4.46Å; V1088-L1151 HydrophobicContact CG1-CD1 4.33Å; M1147-L1151 WeakPolarHBondContact O-CB 3.39Å; M1147-L1151 HydrophobicContact SD-CD2 4.49Å
1152	P	81.5	Confident	79.7	Confident	18 Å²	18	46 Å²	46	12%	0.117	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-77.6	168.3	173.8	33.8	-38.2	0	0	0	112.5	I854 I1150 L1166	I854-P1152 HydrophobicContact CD1-CG 4.41Å; I1150-P1152 VanDerWaalsContact O-CD 3.27Å; I1150-P1152 WeakPolarHBondContact O-CD 3.46Å; P1152-L1166 HydrophobicContact CG-CD2 4.28Å
1153	E	81.1	Confident	79	Confident	40 Å²	40	43.9 Å²	43.9	19%	0.187	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-89.2	132.2	169.7	-172.6	50.9	-116.3	0	0	110.4	G915 R916 R917 K1155 I1157	G915-E1153 VanDerWaalsContact C-OE2 3.3Å; G915-E1153 WeakPolarHBondContact CA-OE1 3.35Å; G915-E1153 WeakPolarHBondContact CA-OE2 3.47Å; R916-E1153 WeakPolarHBondContact CD-OE1 3.39Å; R916-E1153 VanDerWaalsContact N-CD 3.3Å; R916-E1153 PolarHBondContact N-OE1 3.15Å; R916-E1153 PolarHBondContact N-OE2 3.1Å; R917-E1153 PolarHBondContact N-OE2 2.68Å; E1153-K1155 HydrophobicContact CG-CB 4.24Å; E1153-K1155 WeakPolarHBondContact OE1-CB 3.14Å; E1153-K1155 PolarHBondContact OE1-N 2.96Å; E1153-K1155 VanDerWaalsContact OE1-N 3.09Å; E1153-I1157 VanDerWaalsContact O-CD1 3.29Å; E1153-I1157 WeakPolarHBondContact O-CD1 3.38Å
1154	T	81.5	Confident	78.4	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.031	25%	0.247	C	C	.	.			trans	-110.1	-10.5	-177.8	59.6	0	0	0	0	113.3	R916 E1091 G1156 I1157 I1162	R916-T1154 VanDerWaalsContact CD-OG1 3.25Å; R916-T1154 WeakPolarHBondContact CD-OG1 3.06Å; R916-T1154 WeakPolarHBondContact CG-OG1 3.45Å; R916-T1154 PolarHBondContact NE-OG1 2.69Å; E1091-T1154 WeakPolarHBondContact OE2-CB 3.18Å; E1091-T1154 PolarHBondContact OE2-OG1 3.1Å; T1154-G1156 PolarHBondContact O-N 2.68Å; T1154-I1157 PolarHBondContact O-N 3.33Å; T1154-I1162 HydrophobicContact CG2-CD1 4.11Å
1155	K	76.7	Confident	78	Confident	54 Å²	54	47.7 Å²	47.7	24%	0.235	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	120.7	-174.4	171.7	-174.3	152.2	173.4	0	112.9	E912 E1153 I1157	E912-K1155 WeakPolarHBondContact O-CD 3.41Å; E912-K1155 WeakPolarHBondContact O-CE 3.01Å; E912-K1155 PolarHBondContact O-NZ 2.87Å; E1153-K1155 HydrophobicContact CG-CB 4.24Å; E1153-K1155 WeakPolarHBondContact OE1-CB 3.14Å; E1153-K1155 PolarHBondContact OE1-N 2.96Å; E1153-K1155 VanDerWaalsContact OE1-N 3.09Å; K1155-I1157 PolarHBondContact O-N 2.89Å
1156	G	68	Low	77.5	Confident	48 Å²	48	43 Å²	43	50%	0.495	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	-1.3	168.4	0	0	0	0	0	115.4	T1154	T1154-G1156 PolarHBondContact O-N 2.68Å
1157	I	73.2	Confident	77	Confident	29 Å²	29	45 Å²	45	15%	0.149	24%	0.237	C	C	.	.			trans	-85.5	142.7	179.7	-60.3	159.3	0	0	0	107.9	E1153 T1154 K1155 D1161 I1162 L1165	E1153-I1157 VanDerWaalsContact O-CD1 3.29Å; E1153-I1157 WeakPolarHBondContact O-CD1 3.38Å; T1154-I1157 PolarHBondContact O-N 3.33Å; K1155-I1157 PolarHBondContact O-N 2.89Å; I1157-D1161 HydrophobicContact CG2-CB 3.38Å; I1157-I1162 HydrophobicContact CB-CG1 4.01Å; I1157-I1162 HydrophobicContact CG2-CG1 3.64Å; I1157-L1165 HydrophobicContact CD1-CD1 3.9Å; I1157-L1165 HydrophobicContact CG2-CD1 4.25Å
1158	S	72.4	Confident	76.2	Confident	29 Å²	29	50.8 Å²	50.8	20%	0.203	26%	0.263	C	S	.	.			trans	-68.4	162.8	174.2	78.9	0	0	0	0	110.6	E1160 D1161 I1162	S1158-E1160 WeakPolarHBondContact CB-OE2 2.97Å; S1158-E1160 PolarHBondContact O-N 3.18Å; S1158-E1160 PolarHBondContact OG-OE2 2.9Å; S1158-D1161 VanDerWaalsContact CB-OD2 3.29Å; S1158-D1161 WeakPolarHBondContact CB-OD2 3.29Å; S1158-D1161 PolarHBondContact N-OD2 3.4Å; S1158-D1161 PolarHBondContact O-N 3.18Å; S1158-D1161 WeakPolarHBondContact OG-CB 3.47Å; S1158-D1161 PolarHBondContact OG-N 2.6Å; S1158-D1161 VanDerWaalsContact OG-N 3.08Å; S1158-D1161 PolarHBondContact OG-OD2 3.18Å; S1158-I1162 WeakPolarHBondContact O-CG1 3.27Å; S1158-I1162 PolarHBondContact O-N 3.23Å; S1158-I1162 VanDerWaalsContact O-N 3.07Å
1159	M	71.4	Confident	75.5	Confident	6 Å²	6	46.5 Å²	46.5	3%	0.03	25%	0.254	C	S	.	.	H	α-helix	trans	-67.4	-30.9	-179.6	-80.4	150.8	164.4	0	0	110.9	R738 R1098 Q1163	R738-M1159 VanDerWaalsContact CZ-CE 3.44Å; R738-M1159 VanDerWaalsContact CZ-SD 3.59Å; R738-M1159 PolarHBondContact NH1-SD 3.15Å; R1098-M1159 PolarHBondContact NH2-SD 3.07Å; M1159-Q1163 WeakPolarHBondContact O-CG 3.47Å; M1159-Q1163 PolarHBondContact O-N 2.74Å
1160	E	71	Confident	74.9	Confident	114 Å²	114	49.1 Å²	49.1	53%	0.533	26%	0.258	S	S	.	.	H	α-helix	trans	-67.3	-42.7	176.1	-59.9	72	-165	0	0	111	S1158 Q1163 A1164	S1158-E1160 WeakPolarHBondContact CB-OE2 2.97Å; S1158-E1160 PolarHBondContact O-N 3.18Å; S1158-E1160 PolarHBondContact OG-OE2 2.9Å; E1160-Q1163 WeakPolarHBondContact O-CB 2.99Å; E1160-Q1163 PolarHBondContact O-N 2.73Å; E1160-A1164 PolarHBondContact O-N 2.8Å
1161	D	76.2	Confident	74.4	Confident	60 Å²	60	53.1 Å²	53.1	32%	0.321	28%	0.278	S	S	.	.	H	α-helix	trans	-72.7	-32.8	178.2	-59.6	-40.7	0	0	0	112.7	I1157 S1158 Q1163 A1164 L1165 F1181	I1157-D1161 HydrophobicContact CG2-CB 3.38Å; S1158-D1161 VanDerWaalsContact CB-OD2 3.29Å; S1158-D1161 WeakPolarHBondContact CB-OD2 3.29Å; S1158-D1161 PolarHBondContact N-OD2 3.4Å; S1158-D1161 PolarHBondContact O-N 3.18Å; S1158-D1161 WeakPolarHBondContact OG-CB 3.47Å; S1158-D1161 PolarHBondContact OG-N 2.6Å; S1158-D1161 VanDerWaalsContact OG-N 3.08Å; S1158-D1161 PolarHBondContact OG-OD2 3.18Å; D1161-Q1163 PolarHBondContact O-N 2.65Å; D1161-A1164 WeakPolarHBondContact O-CB 3.44Å; D1161-A1164 PolarHBondContact O-N 3.13Å; D1161-A1164 VanDerWaalsContact O-N 3.14Å; D1161-L1165 PolarHBondContact O-N 2.03Å; D1161-F1181 HydrophobicContact CB-CZ 4.01Å
1162	I	75.9	Confident	73.6	Confident	6 Å²	6	57.6 Å²	57.6	3%	0.031	30%	0.295	C	S	.	.	H	α-helix	trans	-59.6	-38.8	171.9	-68.4	170.7	0	0	0	110.2	L1092 T1154 I1157 S1158 A1164 L1165 L1166	L1092-I1162 HydrophobicContact CD1-CG2 4.06Å; T1154-I1162 HydrophobicContact CG2-CD1 4.11Å; I1157-I1162 HydrophobicContact CB-CG1 4.01Å; I1157-I1162 HydrophobicContact CG2-CG1 3.64Å; S1158-I1162 WeakPolarHBondContact O-CG1 3.27Å; S1158-I1162 PolarHBondContact O-N 3.23Å; S1158-I1162 VanDerWaalsContact O-N 3.07Å; I1162-A1164 VanDerWaalsContact C-N 3.34Å; I1162-L1165 PolarHBondContact O-N 3.03Å; I1162-L1166 HydrophobicContact CG2-CD1 4.16Å; I1162-L1166 WeakPolarHBondContact O-CG 3.4Å; I1162-L1166 PolarHBondContact O-N 3.47Å
1163	Q	75	Confident	72.9	Confident	41 Å²	41	60.1 Å²	60.1	19%	0.192	31%	0.308	C	S	.	.	H	α-helix	trans	-66.9	-34.8	176.3	-64.4	-172.7	-69.7	0	0	112.2	M1159 E1160 D1161	M1159-Q1163 WeakPolarHBondContact O-CG 3.47Å; M1159-Q1163 PolarHBondContact O-N 2.74Å; E1160-Q1163 WeakPolarHBondContact O-CB 2.99Å; E1160-Q1163 PolarHBondContact O-N 2.73Å; D1161-Q1163 PolarHBondContact O-N 2.65Å
1164	A	73.4	Confident	71.9	Confident	45 Å²	45	61.5 Å²	61.5	37%	0.372	32%	0.32	S	S	.	.	H	α-helix	trans	-64.4	-45.3	174	0	0	0	0	0	112	E1160 D1161 I1162 L1166 K1167	E1160-A1164 PolarHBondContact O-N 2.8Å; D1161-A1164 WeakPolarHBondContact O-CB 3.44Å; D1161-A1164 PolarHBondContact O-N 3.13Å; D1161-A1164 VanDerWaalsContact O-N 3.14Å; I1162-A1164 VanDerWaalsContact C-N 3.34Å; A1164-L1166 VanDerWaalsContact C-N 3.33Å; A1164-L1166 PolarHBondContact O-N 3.33Å; A1164-K1167 WeakPolarHBondContact O-CB 3.41Å; A1164-K1167 PolarHBondContact O-N 3.21Å
1165	L	74.9	Confident	70.4	Confident	62 Å²	62	71.2 Å²	71.2	33%	0.325	36%	0.356	S	S	.	.	H	α-helix	trans	-59.9	-39.6	178.2	-70.5	169.1	0	0	0	112.8	I1157 D1161 I1162 K1167	I1157-L1165 HydrophobicContact CD1-CD1 3.9Å; I1157-L1165 HydrophobicContact CG2-CD1 4.25Å; D1161-L1165 PolarHBondContact O-N 2.03Å; I1162-L1165 PolarHBondContact O-N 3.03Å; L1165-K1167 PolarHBondContact O-N 2.8Å
1166	L	75.8	Confident	69.5	Low	11 Å²	11	74.9 Å²	74.9	6%	0.058	37%	0.369	C	S	.	.	H	α-helix	trans	-71.8	-7	-179.2	-73.2	172.2	0	0	0	114.6	R850 S851 I854 L1092 P1152 I1162 A1164	R850-L1166 HydrophobicContact CB-CD2 4.42Å; R850-L1166 WeakPolarHBondContact CD-O 3.06Å; R850-L1166 PolarHBondContact NH1-O 2.03Å; S851-L1166 VanDerWaalsContact OG-CD1 3.22Å; S851-L1166 WeakPolarHBondContact OG-CD1 3.47Å; I854-L1166 HydrophobicContact CD1-CD2 4.02Å; L1092-L1166 HydrophobicContact CD1-CD1 3.95Å; P1152-L1166 HydrophobicContact CG-CD2 4.28Å; I1162-L1166 HydrophobicContact CG2-CD1 4.16Å; I1162-L1166 WeakPolarHBondContact O-CG 3.4Å; I1162-L1166 PolarHBondContact O-N 3.47Å; A1164-L1166 VanDerWaalsContact C-N 3.33Å; A1164-L1166 PolarHBondContact O-N 3.33Å
1167	K	73.1	Confident	68.7	Low	102 Å²	102	75.5 Å²	75.5	44%	0.443	37%	0.366	S	S	.	.	H	α-helix	trans	-72.4	-43.4	175.4	-67.7	168.8	-163.4	-86.5	0	112.1	E847 R850 A1164 L1165	E847-K1167 HydrophobicContact CG-CG 3.75Å; E847-K1167 IonicContact OE1-NZ 3.72Å; E847-K1167 PolarHBondContact OE1-NZ 2.83Å; E847-K1167 IonicContact OE2-NZ 2.74Å; E847-K1167 PolarHBondContact OE2-NZ 3.36Å; R850-K1167 PolarHBondContact NH1-O 2.91Å; A1164-K1167 WeakPolarHBondContact O-CB 3.41Å; A1164-K1167 PolarHBondContact O-N 3.21Å; L1165-K1167 PolarHBondContact O-N 2.8Å
1168	H	66.3	Low	67.4	Low	134 Å²	134	76.9 Å²	76.9	62%	0.62	38%	0.379	S	S	*	.	H	α-helix	trans	-83.6	-27.6	-159.4	-71.3	-80.4	0	0	0	116.8
1169	S	68.4	Low	65.9	Low	52 Å²	52	84.7 Å²	84.7	36%	0.364	41%	0.409	S	S	.	.			trans	-153.7	159	-179.9	-175.8	0	0	0	0	113	I1171	S1169-I1171 WeakPolarHBondContact CB-O 3.15Å; S1169-I1171 PolarHBondContact OG-N 2.97Å; S1169-I1171 PolarHBondContact OG-O 2.59Å
1170	W	72	Confident	64.7	Low	141 Å²	141	92.6 Å²	92.6	53%	0.534	45%	0.446	S	S	.	.	S	Bend	trans	-91.4	-37.2	169.1	-138.4	75.3	0	0	0	111.9	I1150	I1150-W1170 HydrophobicContact CD1-CH2 4.16Å; I1150-W1170 HydrophobicContact CD1-CZ3 3.9Å; I1150-W1170 HydrophobicContact CG1-CZ3 4.32Å
1171	I	71.9	Confident	63.2	Low	116 Å²	116	90.2 Å²	90.2	60%	0.595	43%	0.434	S	S	*	.	S	Bend	trans	-86.7	125.8	172.7	-60.8	173.3	0	0	0	107.6	S1169 N1173	S1169-I1171 WeakPolarHBondContact CB-O 3.15Å; S1169-I1171 PolarHBondContact OG-N 2.97Å; S1169-I1171 PolarHBondContact OG-O 2.59Å; I1171-N1173 PolarHBondContact O-N 3.05Å
1172	W	67.1	Low	61	Low	96 Å²	96	91 Å²	91	36%	0.364	46%	0.457	S	S	.	.			trans	-66.4	122.5	-179.8	-177.1	86.1	0	0	0	111.2	L1149 P1174	L1149-W1172 PolarHBondContact O-N 2.89Å; W1172-P1174 HydrophobicContact CH2-CB 3.6Å; W1172-P1174 HydrophobicContact CH2-CG 4.29Å; W1172-P1174 HydrophobicContact CZ2-CB 4.29Å; W1172-P1174 HydrophobicContact CZ3-CB 3.71Å; W1172-P1174 HydrophobicContact CZ3-CG 3.89Å
1173	N	64.8	Low	59	Low	71 Å²	71	99.8 Å²	99.8	38%	0.38	50%	0.497	S	S	.	.			trans	-120.8	118.8	177.2	-178.8	-17.3	0	0	0	109.5	I1171 R1175 Y1176	I1171-N1173 PolarHBondContact O-N 3.05Å; N1173-R1175 PolarHBondContact O-N 3.28Å; N1173-R1175 PolarHBondContact OD1-N 3.24Å; N1173-Y1176 HydrophobicContact CB-CD2 3.99Å; N1173-Y1176 HydrophobicContact CB-CE2 4.14Å
1174	P	61.6	Low	56.9	Low	70 Å²	70	103.6 Å²	103.6	46%	0.455	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-62.8	-25.1	-172.6	20.9	-30.5	0	0	0	114.3	W1172 Y1176 S1177	W1172-P1174 HydrophobicContact CH2-CB 3.6Å; W1172-P1174 HydrophobicContact CH2-CG 4.29Å; W1172-P1174 HydrophobicContact CZ2-CB 4.29Å; W1172-P1174 HydrophobicContact CZ3-CB 3.71Å; W1172-P1174 HydrophobicContact CZ3-CG 3.89Å; P1174-Y1176 PolarHBondContact O-N 3.21Å; P1174-Y1176 VanDerWaalsContact O-N 3.1Å; P1174-S1177 PolarHBondContact O-N 2.88Å; P1174-S1177 PolarHBondContact O-OG 3.15Å; P1174-S1177 VanDerWaalsContact O-OG 3.05Å
1175	R	50.4	Low	54.9	Low	209 Å²	209	106 Å²	106	79%	0.789	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-63.6	-19.8	-173.6	-65.2	-174.1	-176.6	176.1	2	114.2	N1173	N1173-R1175 PolarHBondContact O-N 3.28Å; N1173-R1175 PolarHBondContact OD1-N 3.24Å
1176	Y	56.3	Low	53.4	Low	130 Å²	130	110 Å²	110	51%	0.51	55%	0.546	S	S	.	.	G	3₁₀ helix	trans	-79.1	-11.6	-177.2	-72.6	-84.2	0	0	0	114.5	N1173 P1174	N1173-Y1176 HydrophobicContact CB-CD2 3.99Å; N1173-Y1176 HydrophobicContact CB-CE2 4.14Å; P1174-Y1176 PolarHBondContact O-N 3.21Å; P1174-Y1176 VanDerWaalsContact O-N 3.1Å
1177	S	50.7	Low	51.3	Low	61 Å²	61	113.7 Å²	113.7	43%	0.427	57%	0.571	S	S	.	*	S	Bend	trans	-77.3	-34.2	-179.1	56.2	0	0	0	0	114.1	P1174 F1179	P1174-S1177 PolarHBondContact O-N 2.88Å; P1174-S1177 PolarHBondContact O-OG 3.15Å; P1174-S1177 VanDerWaalsContact O-OG 3.05Å; S1177-F1179 PolarHBondContact O-N 3.46Å
1178	S	45.8	Very low	49.8	Very low	59 Å²	59	112.9 Å²	112.9	41%	0.413	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.8	-21.8	-171.9	-61.3	0	0	0	0	114.3	H1180 D1185	S1178-H1180 PolarHBondContact O-N 2.98Å; S1178-D1185 VanDerWaalsContact CB-OD2 3.32Å; S1178-D1185 WeakPolarHBondContact CB-OD2 3.37Å; S1178-D1185 PolarHBondContact OG-OD2 3.15Å
1179	F	42.7	Very low	48.1	Very low	192 Å²	192	108.6 Å²	108.6	84%	0.842	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-12.1	-169	-119.9	-90.6	0	0	0	115.4	S1177	S1177-F1179 PolarHBondContact O-N 3.46Å
1180	H	45.2	Very low	46.5	Very low	172 Å²	172	114.1 Å²	114.1	80%	0.796	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.5	-12	179.6	-96.8	-71.6	0	0	0	114.6	S1178	S1178-H1180 PolarHBondContact O-N 2.98Å
1181	F	39.9	Very low	44.4	Very low	64 Å²	64	112.8 Å²	112.8	28%	0.281	58%	0.578	S	S	.	*			trans	-108.6	67	-175.2	-75.3	-79.6	0	0	0	112.6	D1161 H1183 I1184	D1161-F1181 HydrophobicContact CB-CZ 4.01Å; F1181-H1183 PolarHBondContact O-N 2.88Å; F1181-I1184 HydrophobicContact CD1-CD1 4.34Å; F1181-I1184 PolarHBondContact O-N 3.14Å; F1181-I1184 VanDerWaalsContact O-N 3.15Å
1182	G	30.7	Very low	42.7	Very low	78 Å²	78	113.9 Å²	113.9	80%	0.804	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	38.9	170.5	0	0	0	0	0	115.4
1183	H	32.8	Very low	41.1	Very low	189 Å²	189	116.2 Å²	116.2	88%	0.875	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-168.9	18	153.6	-110.9	-41	0	0	0	115.1	F1181	F1181-H1183 PolarHBondContact O-N 2.88Å
1184	I	31.2	Very low	39.8	Very low	122 Å²	122	117.9 Å²	117.9	63%	0.626	60%	0.597	S	S	*	*			trans	-135.1	32.5	176.6	-32.7	-179.7	0	0	0	113.8	F1181	F1181-I1184 HydrophobicContact CD1-CD1 4.34Å; F1181-I1184 PolarHBondContact O-N 3.14Å; F1181-I1184 VanDerWaalsContact O-N 3.15Å
1185	D	31.2	Very low	38.9	Very low	94 Å²	94	121.9 Å²	121.9	50%	0.503	61%	0.607	S	S	.	*			trans	-92.2	93.4	144.7	-90.8	-31.6	0	0	0	107.5	S1178	S1178-D1185 VanDerWaalsContact CB-OD2 3.32Å; S1178-D1185 WeakPolarHBondContact CB-OD2 3.37Å; S1178-D1185 PolarHBondContact OG-OD2 3.15Å
1186	D	43	Very low	38.4	Very low	147 Å²	147	115.4 Å²	115.4	79%	0.786	59%	0.591	S	S	*	*	S	Bend		174.3	76.3	118.1	-93.6	-28.5	0	0	0	110.9
1187	C	32.9	Very low	37.3	Very low	88 Å²	88	113.6 Å²	113.6	60%	0.595	59%	0.59	S	S	*	*				32.5	100.4	121.1	-73.5	0	0	0	0	117.1
1188	V	40	Very low	36.5	Very low	86 Å²	86	112.3 Å²	112.3	52%	0.521	58%	0.578	S	S	.	*	S	Bend		55	89.7	80.7	-179.3	0	0	0	0	109.5
1189	I	32.2	Very low	35.9	Very low	43 Å²	43	115.4 Å²	115.4	22%	0.221	60%	0.595	C	S	.	*			cis	-148	53.1	24.5	-42.6	179.6	0	0	0	112.1	Y355 K913	Y355-I1189 WeakPolarHBondContact OH-CG2 3.27Å; K913-I1189 HydrophobicContact CB-CD1 3.99Å; K913-I1189 HydrophobicContact CD-CD1 3.9Å; K913-I1189 HydrophobicContact CG-CD1 3.85Å
1190	H	33.5	Very low	35.3	Very low	169 Å²	169	111.5 Å²	111.5	78%	0.782	59%	0.59	S	S	*	*			trans	-88.3	126.2	167.4	-75.7	-110.8	0	0	0	109.1
1191	I	28.7	Very low	34.7	Very low	113 Å²	113	111 Å²	111	58%	0.579	59%	0.591	S	S	*	*				70.5	127.2	58.5	-52.5	168	0	0	0	110.8
1192	F	36.8	Very low	34.1	Very low	138 Å²	138	114.1 Å²	114.1	61%	0.605	62%	0.616	S	S	*	*			trans	71.8	83.4	-172.9	-59.8	-78.6	0	0	0	117	L155 Q1194	L155-F1192 HydrophobicContact CD1-CD1 4.41Å; L155-F1192 HydrophobicContact CD1-CE1 4.15Å; L155-F1192 HydrophobicContact CD2-CD1 4.4Å; L155-F1192 HydrophobicContact CD2-CE1 4.43Å; F1192-Q1194 PolarHBondContact O-N 3.3Å
1193	F	33.1	Very low	33.9	Very low	146 Å²	146	118.7 Å²	118.7	64%	0.64	62%	0.616	S	S	*	*			trans	-52.8	119	140	-111.4	-94.7	0	0	0	105.7	H154	H154-F1193 HydrophobicContact CB-CB 3.74Å; H154-F1193 HydrophobicContact CB-CG 4.44Å; H154-F1193 PolarHBondContact CD2-O 2.92Å; H154-F1193 PolarHBondContact NE2-O 3.27Å
1194	Q	38.1	Very low	33.7	Very low	105 Å²	105	120 Å²	120	49%	0.491	61%	0.614	S	S	.	*				50.8	115.5	78.5	-81.5	-154.1	2.9	0	0	114.7	H154 F1192	H154-Q1194 PolarHBondContact ND1-O 3.37Å; F1192-Q1194 PolarHBondContact O-N 3.3Å
1195	K	42	Very low	33.6	Very low	154 Å²	154	118.8 Å²	118.8	67%	0.67	62%	0.617	S	S	*	*				58.5	-164.5	120.2	-55.9	177.1	-175.3	162.8	0	113.2
1196	T	40.6	Very low	33.5	Very low	73 Å²	73	122.6 Å²	122.6	45%	0.448	63%	0.632	S	S	.	*			cis	-153.7	-167.3	11.9	-16.4	0	0	0	0	106.4
1197	D	32.1	Very low	32.7	Very low	92 Å²	92	126.8 Å²	126.8	49%	0.492	64%	0.637	S	S	.	*			cis	-176.4	-177.5	42.6	-132.8	-37.6	0	0	0	111.7	R265	R265-D1197 PolarHBondContact NE-O 3.28Å; R265-D1197 PolarHBondContact NH1-O 3.16Å; R265-D1197 PolarHBondContact NH2-O 2.78Å
1198	I	34.2	Very low	32.5	Very low	34 Å²	34	131.6 Å²	131.6	17%	0.174	65%	0.647	C	S	.	*			trans	112.5	128.9	152.5	-54	159.7	0	0	0	113.3	N262 R265 K266	N262-I1198 HydrophobicContact CB-CD1 4.35Å; N262-I1198 WeakPolarHBondContact O-CD1 3.37Å; R265-I1198 VanDerWaalsContact C-CG2 3.45Å; R265-I1198 HydrophobicContact CB-CB 3.52Å; R265-I1198 HydrophobicContact CB-CD1 3.7Å; R265-I1198 HydrophobicContact CB-CG1 4.19Å; R265-I1198 HydrophobicContact CB-CG2 3.32Å; R265-I1198 HydrophobicContact CG-CB 4.42Å; R265-I1198 PolarHBondContact NE-O 3.27Å; R265-I1198 PolarHBondContact NH2-O 3.37Å; R265-I1198 VanDerWaalsContact NH2-O 3.17Å; R265-I1198 WeakPolarHBondContact O-CG2 3.15Å; K266-I1198 HydrophobicContact CG-CD1 4.08Å
1199	V	34	Very low	32	Very low	125 Å²	125	133.3 Å²	133.3	76%	0.758	66%	0.658	S	S	*	*			cis	-167.5	158.7	-16.5	136	0	0	0	0	104.3
1200	C	29.7	Very low	31.9	Very low	109 Å²	109	139.4 Å²	139.4	74%	0.736	69%	0.686	S	S	*	*			trans	-75.8	151.6	176.1	-46.4	0	0	0	0	113.9
1201	I	32.2	Very low	31.9	Very low	161 Å²	161	138.4 Å²	138.4	83%	0.826	69%	0.686	S	S	*	*			trans	-126	123	140.6	-64.9	-177.8	0	0	0	107.7
1202	T	27.2	Very low	31.9	Very low	130 Å²	130	142.5 Å²	142.5	80%	0.798	72%	0.722	S	S	*	*			trans	-75.4	120.6	168.8	40.4	0	0	0	0	109.8
1203	H	27.6	Very low	31.7	Very low	174 Å²	174	142.7 Å²	142.7	81%	0.806	73%	0.728	S	S	*	*			trans	-124.5	102.3	156.3	-135.9	-81.8	0	0	0	107
1204	Y	28.1	Very low	31.6	Very low	216 Å²	216	142.5 Å²	142.5	85%	0.847	73%	0.732	S	S	*	*			trans	-97.4	91.3	173.7	-154.2	-81.3	0	0	0	106.7
1205	S	28.8	Very low	31.2	Very low	97 Å²	97	144.6 Å²	144.6	68%	0.678	75%	0.746	S	S	*	*			trans	-162.2	131.4	166.7	-176.2	0	0	0	0	107.5	R1207	S1205-R1207 PolarHBondContact O-N 3.12Å
1206	E	28.1	Very low	30.6	Very low	175 Å²	175	144.1 Å²	144.1	82%	0.818	75%	0.75	S	S	*	*			trans	-78.6	109.7	-165.1	-65.8	151.9	142.9	0	0	111.5
1207	R	26.6	Very low	30	Very low	234 Å²	234	148.5 Å²	148.5	88%	0.883	77%	0.769	S	S	*	*			trans	-155.4	78.9	150.2	-125.7	179.5	-92.4	-159.6	-4	110.6	S1205	S1205-R1207 PolarHBondContact O-N 3.12Å
1208	K	27.8	Very low	29.8	Very low	189 Å²	189	152.3 Å²	152.3	82%	0.822	79%	0.787	S	S	*	*			trans	-123.3	61.1	165.7	-124.3	-161.5	178.3	-125.4	0	110.6
1209	T	30.2	Very low	29.5	Very low	122 Å²	122	160.7 Å²	160.7	75%	0.748	83%	0.831	S	S	*	*			trans	-108.9	89.8	151.7	42.9	0	0	0	0	106.5
1210	E	31	Very low	29.2	Very low	171 Å²	171	163.5 Å²	163.5	80%	0.799	84%	0.837	S	S	*	*	S	Bend	trans	175.9	129.7	146.5	-100.1	163.7	-155.1	0	0	111.4
1211	L	33	Very low	29.1	Very low	149 Å²	149	168 Å²	168	78%	0.78	85%	0.845	S	S	*	*			trans	57.2	112.4	172.4	-68.5	94.1	0	0	0	120
1212	C	28.9	Very low	28.9	Very low	198 Å²	198	168.6 Å²	168.6	100%	1.338	85%	0.847	S	S	*	*			trans	65.9	0	163	-62.6	0	0	0	0	118.2

Retrieved 1,212 of 1,212 residues in 759.7 ms (Link to these results)

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