A0A3Q0KC53_SCHMA Loading...

Putative helicase

AlphaFold DB , UniProt , Accession A0A3Q0KC53, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,012 aa.

						>A0A3Q0KC53_SCHMA|A0A3Q0KC53
MDPAQESNSGTHANNVQGALQQLDLLVEKAEHYAQVKLIGSGTKDLSSPSRIKQEQPISSPTSHSFGDHRHRRTEKEEDEELLTETKHSSSGIQRFEASPWYVKGGEMRDYQIRGLNWMIQLHHNNINGILADEMGLGKTLQTISLLGYIKHCRHKHGPHMVIVPKSTLSNWMNEFARWVPSLRTVSLIGNQDERNQKIQEEILKKEWDVIVTSYEMCIKEKSVLKKFHYIYLIIDEAHRIKNEKSKLSEIVRDFRSQNRLLITGTPLQNNLHELWALLNFLMPDLFSSSEMFDDMFKTDNDHEESLVQRLHAVLKPFLLRRIKADVEKRLPPKKECKIYIGLSKMQRDLYTKILMKDIDVVNSVGNKVDRLRLLNILMQLRKCCNHPYLFDGLEPGPPFTTDHHLVDNCGKLMLLDKLLPKLKQQGSRVLLFCQMTRMMDILEDYCLWRGHEYFRLDGSTPHEERQISIDEYNRPGSTKFLFMLSTRAGGLGINLATADVVIIYDSDWNPQVDLQAMDRAHRIGQTKTVRVFRLITEHTVEERIIMRAEMKLKLDNLVIQQGRLVEQKSNQLQKGDVLDMIRHGANYIFRSKDSDFKDEDIDIILARGEQKTAEMNEKLAQLGESNLRSLKFDTADENGAPTSAYIFEGEDYREKQSRTSLLDGWIEPPKRERKANYAVDAYFREALRVSEPKAPKPPRPPKQPNVQDFQFFPPRLFELLDKEIYAFRKSINYKVPRNPDVGPDGERDRLEEQARIDEAEPLTEEELAEKEELLTQGFTNWSKRDFQQFIKANEKHGRDDLEAISVDVEGKTPDEVKRYARVFWTRCNELQDVDKHMAQRGEAKIQRRAAVKRALDLKMARYRAPFHQLRIQYGTNKGKNYVEEEDRFLICMLHKLGFDRDNVYDDLRLAVRLAPQFRFDWFLRSRTAMELQRRCSTLITLIEREICDLEDRTKQRSGAGANNLSLTPANSGPSNTSTVSNQKRKSTSAGGIGSDSTAEMSGNSKKKKVTA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	37.7	Very low	40.4	Very low	242 Å²	242	114.8 Å²	114.8	100%	1.192	66%	0.656	S	S	*	*				0	105.6	0	-72.5	-164.3	170.9	0	0	105.6	P3	M1-P3 WeakPolarHBondContact O-CD 3.43Å
2	D	34.8	Very low	40.7	Very low	142 Å²	142	113.8 Å²	113.8	76%	0.759	64%	0.641	S	S	*	*			trans	-76.8	121.1	-169.5	-114.6	-32.4	0	0	0	110.1	A4	D2-A4 PolarHBondContact O-N 3.09Å
3	P	43.5	Very low	41.3	Very low	104 Å²	104	109.5 Å²	109.5	68%	0.675	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	5.4	-179.2	27.3	-32.1	0	0	0	113.8	M1 Q5	M1-P3 WeakPolarHBondContact O-CD 3.43Å; P3-Q5 VanDerWaalsContact C-N 3.31Å; P3-Q5 PolarHBondContact O-N 3.25Å
4	A	40.9	Very low	42	Very low	64 Å²	64	109.6 Å²	109.6	53%	0.529	63%	0.626	S	S	.	*	H	α-helix	trans	-74.7	-15.1	178.3	0	0	0	0	0	114.1	D2 S7	D2-A4 PolarHBondContact O-N 3.09Å; A4-S7 PolarHBondContact O-OG 3.28Å
5	Q	37.9	Very low	42.8	Very low	173 Å²	173	108.5 Å²	108.5	81%	0.808	62%	0.617	S	S	*	*	H	α-helix	trans	-84.5	-23.2	177.8	-78.3	-169	-28.8	0	0	114	P3	P3-Q5 VanDerWaalsContact C-N 3.31Å; P3-Q5 PolarHBondContact O-N 3.25Å
6	E	39	Very low	43.4	Very low	161 Å²	161	103.5 Å²	103.5	75%	0.752	59%	0.589	S	S	*	*	H	α-helix	trans	-81.6	-23.8	177.9	-78.4	-177.8	162	0	0	113.4	S9	E6-S9 PolarHBondContact O-OG 3.28Å; E6-S9 VanDerWaalsContact O-OG 3.05Å
7	S	42.6	Very low	44	Very low	75 Å²	75	104.5 Å²	104.5	52%	0.524	59%	0.588	S	S	.	*	H	α-helix	trans	-75	-29.7	-179.7	60.8	0	0	0	0	113.6	A4 T11	A4-S7 PolarHBondContact O-OG 3.28Å; S7-T11 PolarHBondContact O-N 3.19Å; S7-T11 PolarHBondContact O-OG1 2.89Å
8	N	40.5	Very low	44.7	Very low	113 Å²	113	100.2 Å²	100.2	60%	0.604	57%	0.571	S	S	*	*	H	α-helix	trans	-76.9	-29	-179.9	-102.8	-6.6	0	0	0	113.4	H12	N8-H12 PolarHBondContact O-N 3.45Å
9	S	41.4	Very low	45.2	Very low	76 Å²	76	96.9 Å²	96.9	53%	0.531	56%	0.557	S	S	.	*	H	α-helix	trans	-71.1	-38.6	175.8	57.7	0	0	0	0	111.4	E6 H12 A13	E6-S9 PolarHBondContact O-OG 3.28Å; E6-S9 VanDerWaalsContact O-OG 3.05Å; S9-H12 PolarHBondContact O-N 3.03Å; S9-A13 PolarHBondContact O-N 3.41Å
10	G	37.2	Very low	45.7	Very low	35 Å²	35	94.8 Å²	94.8	36%	0.361	54%	0.543	S	S	.	.	H	α-helix	trans	-66.5	-36.3	178.6	0	0	0	0	0	114.2	N14	G10-N14 PolarHBondContact O-N 3.27Å
11	T	48.6	Very low	46.4	Very low	78 Å²	78	96.4 Å²	96.4	48%	0.479	55%	0.546	S	S	.	.	H	α-helix	trans	-70.8	-37.1	176.2	10.4	0	0	0	0	112.1	S7 N15	S7-T11 PolarHBondContact O-N 3.19Å; S7-T11 PolarHBondContact O-OG1 2.89Å; T11-N15 PolarHBondContact O-N 3.04Å; T11-N15 PolarHBondContact O-ND2 3.32Å
12	H	44.1	Very low	47.3	Very low	103 Å²	103	90 Å²	90	48%	0.477	51%	0.513	S	S	.	.	H	α-helix	trans	-66.5	-45.8	175.7	-101.8	-77.8	0	0	0	112.3	N8 S9 N14 N15 V16	N8-H12 PolarHBondContact O-N 3.45Å; S9-H12 PolarHBondContact O-N 3.03Å; H12-N14 PolarHBondContact O-N 3.02Å; H12-N15 PolarHBondContact O-N 3.11Å; H12-V16 WeakPolarHBondContact O-CG2 3.4Å; H12-V16 PolarHBondContact O-N 3.16Å; H12-V16 VanDerWaalsContact O-N 3.12Å
13	A	48.2	Very low	48.4	Very low	57 Å²	57	83.5 Å²	83.5	47%	0.471	48%	0.479	S	S	.	.	H	α-helix	trans	-61.3	-43.6	179.7	0	0	0	0	0	112.4	S9 N15 V16 Q17	S9-A13 PolarHBondContact O-N 3.41Å; A13-N15 VanDerWaalsContact C-N 3.31Å; A13-N15 PolarHBondContact O-N 3.23Å; A13-V16 PolarHBondContact O-N 2.89Å; A13-Q17 PolarHBondContact O-N 2.89Å
14	N	51.8	Low	49.1	Very low	112 Å²	112	82.5 Å²	82.5	60%	0.599	47%	0.468	S	S	*	.	H	α-helix	trans	-62.5	-36.7	177.4	-77.8	-14.8	0	0	0	112.7	G10 H12 G18	G10-N14 PolarHBondContact O-N 3.27Å; H12-N14 PolarHBondContact O-N 3.02Å; N14-G18 PolarHBondContact O-N 3.5Å
15	N	53.3	Low	50.1	Low	93 Å²	93	83.7 Å²	83.7	50%	0.497	47%	0.465	S	S	.	.	H	α-helix	trans	-69	-38	176.8	-78.8	-19.2	0	0	0	112.5	T11 H12 A13 G18 A19 M292	T11-N15 PolarHBondContact O-N 3.04Å; T11-N15 PolarHBondContact O-ND2 3.32Å; H12-N15 PolarHBondContact O-N 3.11Å; A13-N15 VanDerWaalsContact C-N 3.31Å; A13-N15 PolarHBondContact O-N 3.23Å; N15-G18 PolarHBondContact O-N 3.01Å; N15-A19 PolarHBondContact O-N 3.41Å; N15-M292 HydrophobicContact CB-CE 3.84Å
16	V	52.1	Low	51.1	Low	28 Å²	28	76.6 Å²	76.6	17%	0.17	43%	0.432	C	S	.	.	H	α-helix	trans	-65.8	-43.6	176.1	175.6	0	0	0	0	110.6	H12 A13 G18 A19 L20 M296	H12-V16 WeakPolarHBondContact O-CG2 3.4Å; H12-V16 PolarHBondContact O-N 3.16Å; H12-V16 VanDerWaalsContact O-N 3.12Å; A13-V16 PolarHBondContact O-N 2.89Å; V16-G18 VanDerWaalsContact C-N 3.34Å; V16-G18 PolarHBondContact O-N 3.41Å; V16-A19 WeakPolarHBondContact O-CB 3.42Å; V16-A19 PolarHBondContact O-N 2.94Å; V16-L20 HydrophobicContact CG1-CD1 4.44Å; V16-L20 PolarHBondContact O-N 3.01Å; V16-M296 HydrophobicContact CG1-CB 4.03Å; V16-M296 HydrophobicContact CG1-CG 3.89Å
17	Q	54.6	Low	52.1	Low	120 Å²	120	70.1 Å²	70.1	56%	0.561	40%	0.404	S	S	*	.	H	α-helix	trans	-65.5	-38.6	178.2	-144	174.5	12.8	0	0	111.8	A13 L20 Q21	A13-Q17 PolarHBondContact O-N 2.89Å; Q17-L20 PolarHBondContact O-N 3.49Å; Q17-Q21 WeakPolarHBondContact O-CG 3.47Å; Q17-Q21 PolarHBondContact O-N 2.99Å
18	G	55.4	Low	52.9	Low	28 Å²	28	72.8 Å²	72.8	29%	0.289	41%	0.408	S	S	.	.	H	α-helix	trans	-63.3	-38.1	172.3	0	0	0	0	0	113.2	N14 N15 V16 Q21 Q22	N14-G18 PolarHBondContact O-N 3.5Å; N15-G18 PolarHBondContact O-N 3.01Å; V16-G18 VanDerWaalsContact C-N 3.34Å; V16-G18 PolarHBondContact O-N 3.41Å; G18-Q21 PolarHBondContact O-N 3.18Å; G18-Q22 WeakPolarHBondContact O-CB 3.47Å; G18-Q22 WeakPolarHBondContact O-CG 3.25Å; G18-Q22 PolarHBondContact O-N 3.27Å
19	A	54.3	Low	53.7	Low	37 Å²	37	72.7 Å²	72.7	31%	0.306	40%	0.402	S	S	.	.	H	α-helix	trans	-67.2	-39.7	175	0	0	0	0	0	112.3	N15 V16 Q22 L23	N15-A19 PolarHBondContact O-N 3.41Å; V16-A19 WeakPolarHBondContact O-CB 3.42Å; V16-A19 PolarHBondContact O-N 2.94Å; A19-Q22 PolarHBondContact O-N 3.45Å; A19-L23 PolarHBondContact O-N 2.86Å
20	L	55.2	Low	54.5	Low	54 Å²	54	69.1 Å²	69.1	28%	0.283	38%	0.377	S	S	.	.	H	α-helix	trans	-64.4	-44.1	174.2	-78.1	167.7	0	0	0	112	V16 Q17 Q22 L23 D24 M296	V16-L20 HydrophobicContact CG1-CD1 4.44Å; V16-L20 PolarHBondContact O-N 3.01Å; Q17-L20 PolarHBondContact O-N 3.49Å; L20-Q22 VanDerWaalsContact C-N 3.3Å; L20-Q22 PolarHBondContact O-N 3.39Å; L20-L23 CarbonylContact O-C 3.56Å; L20-L23 WeakPolarHBondContact O-CA 3.27Å; L20-L23 VanDerWaalsContact O-CB 3.28Å; L20-L23 WeakPolarHBondContact O-CB 3.47Å; L20-L23 PolarHBondContact O-N 3.18Å; L20-L23 VanDerWaalsContact O-N 3.09Å; L20-D24 PolarHBondContact O-N 3.26Å; L20-M296 HydrophobicContact CD2-CG 4.27Å; L20-M296 HydrophobicContact CD2-SD 3.64Å; L20-M296 HydrophobicContact CG-CG 4.3Å; L20-M296 HydrophobicContact CG-SD 3.87Å
21	Q	60.3	Low	55.4	Low	130 Å²	130	72.7 Å²	72.7	61%	0.607	39%	0.385	S	S	*	.	H	α-helix	trans	-62.6	-38.4	174.1	-74.4	178.7	-2	0	0	112	Q17 G18 L23 D24 L25	Q17-Q21 WeakPolarHBondContact O-CG 3.47Å; Q17-Q21 PolarHBondContact O-N 2.99Å; G18-Q21 PolarHBondContact O-N 3.18Å; Q21-L23 VanDerWaalsContact C-N 3.34Å; Q21-D24 PolarHBondContact O-N 2.7Å; Q21-L25 WeakPolarHBondContact O-CB 3.29Å; Q21-L25 PolarHBondContact O-N 2.85Å
22	Q	57.6	Low	55.7	Low	107 Å²	107	75 Å²	75	50%	0.5	39%	0.39	S	S	.	.	H	α-helix	trans	-64.3	-39.5	171.7	-79.8	-175.9	-7.5	0	0	111.7	G18 A19 L20 L25 L26	G18-Q22 WeakPolarHBondContact O-CB 3.47Å; G18-Q22 WeakPolarHBondContact O-CG 3.25Å; G18-Q22 PolarHBondContact O-N 3.27Å; A19-Q22 PolarHBondContact O-N 3.45Å; L20-Q22 VanDerWaalsContact C-N 3.3Å; L20-Q22 PolarHBondContact O-N 3.39Å; Q22-L25 PolarHBondContact O-N 3.08Å; Q22-L26 WeakPolarHBondContact O-CB 3.49Å; Q22-L26 WeakPolarHBondContact O-CD1 3.37Å; Q22-L26 WeakPolarHBondContact O-CG 3.5Å; Q22-L26 PolarHBondContact O-N 3.36Å
23	L	57	Low	56.1	Low	6 Å²	6	74.4 Å²	74.4	3%	0.031	38%	0.384	C	S	.	.	H	α-helix	trans	-59.3	-47.1	174	-160.9	88.3	0	0	0	111	A19 L20 Q21 L26 V27 F287 L307 L311	A19-L23 PolarHBondContact O-N 2.86Å; L20-L23 CarbonylContact O-C 3.56Å; L20-L23 WeakPolarHBondContact O-CA 3.27Å; L20-L23 VanDerWaalsContact O-CB 3.28Å; L20-L23 WeakPolarHBondContact O-CB 3.47Å; L20-L23 PolarHBondContact O-N 3.18Å; L20-L23 VanDerWaalsContact O-N 3.09Å; Q21-L23 VanDerWaalsContact C-N 3.34Å; L23-L26 CarbonylContact O-C 3.44Å; L23-L26 WeakPolarHBondContact O-CB 3.37Å; L23-L26 PolarHBondContact O-N 3.05Å; L23-L26 VanDerWaalsContact O-N 3.13Å; L23-V27 WeakPolarHBondContact O-CG2 3.38Å; L23-V27 PolarHBondContact O-N 3.26Å; L23-F287 HydrophobicContact CD1-CE1 4Å; L23-F287 HydrophobicContact CD1-CZ 3.92Å; L23-L307 HydrophobicContact CD2-CD1 4.07Å; L23-L311 HydrophobicContact CD1-CD2 4.34Å
24	D	59.5	Low	56.2	Low	82 Å²	82	73.3 Å²	73.3	44%	0.439	37%	0.374	S	S	.	.	H	α-helix	trans	-64.7	-42.5	178.4	-70.3	-24.4	0	0	0	111.2	L20 Q21 L26 V27 E28	L20-D24 PolarHBondContact O-N 3.26Å; Q21-D24 PolarHBondContact O-N 2.7Å; D24-L26 PolarHBondContact O-N 2.91Å; D24-V27 PolarHBondContact O-N 3.38Å; D24-V27 VanDerWaalsContact O-N 3.16Å; D24-E28 WeakPolarHBondContact O-CB 3.35Å; D24-E28 PolarHBondContact O-N 2.8Å
25	L	61.2	Low	55.8	Low	89 Å²	89	73.4 Å²	73.4	47%	0.466	37%	0.371	S	S	.	.	H	α-helix	trans	-61.4	-31.6	174.2	-157.8	101	0	0	0	112	Q21 Q22 K29	Q21-L25 WeakPolarHBondContact O-CB 3.29Å; Q21-L25 PolarHBondContact O-N 2.85Å; Q22-L25 PolarHBondContact O-N 3.08Å; L25-K29 WeakPolarHBondContact O-CB 3.45Å; L25-K29 VanDerWaalsContact O-CG 3.27Å; L25-K29 WeakPolarHBondContact O-CG 3.31Å; L25-K29 PolarHBondContact O-N 2.84Å
26	L	59	Low	55.5	Low	25 Å²	25	72.5 Å²	72.5	13%	0.131	37%	0.369	C	S	.	.	H	α-helix	trans	-76.9	-39.5	174.9	-70.1	156.1	0	0	0	112.4	Q22 L23 D24 E28 K29 A30 M283 L286 F287	Q22-L26 WeakPolarHBondContact O-CB 3.49Å; Q22-L26 WeakPolarHBondContact O-CD1 3.37Å; Q22-L26 WeakPolarHBondContact O-CG 3.5Å; Q22-L26 PolarHBondContact O-N 3.36Å; L23-L26 CarbonylContact O-C 3.44Å; L23-L26 WeakPolarHBondContact O-CB 3.37Å; L23-L26 PolarHBondContact O-N 3.05Å; L23-L26 VanDerWaalsContact O-N 3.13Å; D24-L26 PolarHBondContact O-N 2.91Å; L26-E28 VanDerWaalsContact C-N 3.25Å; L26-E28 PolarHBondContact O-N 3.36Å; L26-K29 PolarHBondContact O-N 2.62Å; L26-A30 WeakPolarHBondContact O-CA 3.28Å; L26-A30 WeakPolarHBondContact O-CB 3.07Å; L26-A30 PolarHBondContact O-N 3.04Å; L26-M283 HydrophobicContact CD2-SD 4.42Å; L26-L286 HydrophobicContact CD1-CD1 3.98Å; L26-L286 HydrophobicContact CD1-CD2 3.04Å; L26-L286 HydrophobicContact CD1-CG 3.68Å; L26-L286 HydrophobicContact CD2-CD2 3.45Å; L26-L286 VanDerWaalsContact CD2-CD2 3.45Å; L26-L286 HydrophobicContact CG-CD2 3.76Å; L26-F287 HydrophobicContact CD1-CZ 4.49Å
27	V	60	Low	54.9	Low	25 Å²	25	75.3 Å²	75.3	15%	0.152	38%	0.379	C	S	.	.	H	α-helix	trans	-57.3	-46.9	171.3	173.7	0	0	0	0	108.5	L23 D24 A30 E31 V314	L23-V27 WeakPolarHBondContact O-CG2 3.38Å; L23-V27 PolarHBondContact O-N 3.26Å; D24-V27 PolarHBondContact O-N 3.38Å; D24-V27 VanDerWaalsContact O-N 3.16Å; V27-A30 CarbonylContact O-C 3.54Å; V27-A30 WeakPolarHBondContact O-CA 3.08Å; V27-A30 WeakPolarHBondContact O-CB 3.49Å; V27-A30 PolarHBondContact O-N 3.44Å; V27-A30 VanDerWaalsContact O-N 3.15Å; V27-E31 HydrophobicContact CG1-CG 4.38Å; V27-E31 WeakPolarHBondContact O-CB 3.37Å; V27-E31 WeakPolarHBondContact O-CG 3.48Å; V27-E31 PolarHBondContact O-N 2.88Å; V27-V314 HydrophobicContact CB-CG2 4.43Å; V27-V314 HydrophobicContact CG2-CG2 3.32Å
28	E	58.9	Low	53.9	Low	131 Å²	131	75.4 Å²	75.4	61%	0.612	38%	0.383	S	S	*	.	H	α-helix	trans	-65	-43.8	-179.6	-155.9	178.8	-155.7	0	0	111.8	D24 L26 A30 E31 H32	D24-E28 WeakPolarHBondContact O-CB 3.35Å; D24-E28 PolarHBondContact O-N 2.8Å; L26-E28 VanDerWaalsContact C-N 3.25Å; L26-E28 PolarHBondContact O-N 3.36Å; E28-A30 PolarHBondContact O-N 3.35Å; E28-E31 PolarHBondContact O-N 3.23Å; E28-H32 PolarHBondContact O-N 3.49Å
29	K	58.3	Low	52.8	Low	110 Å²	110	81 Å²	81	48%	0.478	40%	0.404	S	S	.	.	H	α-helix	trans	-60.9	-43.9	170.6	-78.5	176.9	-178.7	179.1	0	111.7	L25 L26 E31 H32 Y33	L25-K29 WeakPolarHBondContact O-CB 3.45Å; L25-K29 VanDerWaalsContact O-CG 3.27Å; L25-K29 WeakPolarHBondContact O-CG 3.31Å; L25-K29 PolarHBondContact O-N 2.84Å; L26-K29 PolarHBondContact O-N 2.62Å; K29-E31 VanDerWaalsContact C-N 3.33Å; K29-E31 PolarHBondContact O-N 2.82Å; K29-H32 WeakPolarHBondContact O-CB 3.32Å; K29-H32 PolarHBondContact O-N 3.13Å; K29-Y33 HydrophobicContact CB-CE2 4.13Å; K29-Y33 WeakPolarHBondContact O-CD2 3.38Å; K29-Y33 WeakPolarHBondContact O-CE2 3.31Å; K29-Y33 PolarHBondContact O-N 2.72Å
30	A	58.4	Low	51.9	Low	2 Å²	2	81 Å²	81	2%	0.017	41%	0.408	C	S	.	.	H	α-helix	trans	-62.6	-40	179	0	0	0	0	0	110.9	L26 V27 E28 Y33 A34 P317 F318	L26-A30 WeakPolarHBondContact O-CA 3.28Å; L26-A30 WeakPolarHBondContact O-CB 3.07Å; L26-A30 PolarHBondContact O-N 3.04Å; V27-A30 CarbonylContact O-C 3.54Å; V27-A30 WeakPolarHBondContact O-CA 3.08Å; V27-A30 WeakPolarHBondContact O-CB 3.49Å; V27-A30 PolarHBondContact O-N 3.44Å; V27-A30 VanDerWaalsContact O-N 3.15Å; E28-A30 PolarHBondContact O-N 3.35Å; A30-Y33 CarbonylContact O-C 3.51Å; A30-Y33 WeakPolarHBondContact O-CB 3.36Å; A30-Y33 PolarHBondContact O-N 3.21Å; A30-A34 PolarHBondContact O-N 2.76Å; A30-P317 HydrophobicContact CB-CB 4.48Å; A30-P317 HydrophobicContact CB-CG 3.84Å; A30-P317 WeakPolarHBondContact O-CG 3.14Å; A30-F318 HydrophobicContact CB-CZ 4.45Å
31	E	55.2	Low	50.7	Low	110 Å²	110	82 Å²	82	51%	0.514	42%	0.42	S	S	.	.	H	α-helix	trans	-65	-42.6	172.2	-75.8	-176.3	173.5	0	0	111.8	V27 E28 K29 Y33 A34 Q35	V27-E31 HydrophobicContact CG1-CG 4.38Å; V27-E31 WeakPolarHBondContact O-CB 3.37Å; V27-E31 WeakPolarHBondContact O-CG 3.48Å; V27-E31 PolarHBondContact O-N 2.88Å; E28-E31 PolarHBondContact O-N 3.23Å; K29-E31 VanDerWaalsContact C-N 3.33Å; K29-E31 PolarHBondContact O-N 2.82Å; E31-Y33 PolarHBondContact O-N 2.99Å; E31-A34 CarbonylContact O-C 3.55Å; E31-A34 WeakPolarHBondContact O-CA 3.48Å; E31-A34 WeakPolarHBondContact O-CB 3.38Å; E31-A34 PolarHBondContact O-N 2.72Å; E31-Q35 WeakPolarHBondContact O-CG 3.32Å; E31-Q35 PolarHBondContact O-N 2.8Å
32	H	54.9	Low	49.1	Very low	127 Å²	127	79.1 Å²	79.1	59%	0.588	43%	0.425	S	S	*	.	H	α-helix	trans	-58.5	-39.2	173.5	-142.8	-66.9	0	0	0	111.1	E28 K29 Q35 V36	E28-H32 PolarHBondContact O-N 3.49Å; K29-H32 WeakPolarHBondContact O-CB 3.32Å; K29-H32 PolarHBondContact O-N 3.13Å; H32-Q35 PolarHBondContact O-N 3.37Å; H32-V36 WeakPolarHBondContact O-CG2 3.22Å; H32-V36 PolarHBondContact O-N 3.36Å
33	Y	53.5	Low	47.6	Very low	90 Å²	90	80.6 Å²	80.6	35%	0.353	44%	0.442	S	S	.	.	H	α-helix	trans	-69.2	-35.3	172.5	-64.7	-58.2	0	0	0	112.9	K29 A30 E31 Q35 V36 K37 I127	K29-Y33 HydrophobicContact CB-CE2 4.13Å; K29-Y33 WeakPolarHBondContact O-CD2 3.38Å; K29-Y33 WeakPolarHBondContact O-CE2 3.31Å; K29-Y33 PolarHBondContact O-N 2.72Å; A30-Y33 CarbonylContact O-C 3.51Å; A30-Y33 WeakPolarHBondContact O-CB 3.36Å; A30-Y33 PolarHBondContact O-N 3.21Å; E31-Y33 PolarHBondContact O-N 2.99Å; Y33-Q35 VanDerWaalsContact C-N 3.33Å; Y33-V36 PolarHBondContact O-N 2.62Å; Y33-K37 PolarHBondContact O-N 3.25Å; Y33-K37 VanDerWaalsContact O-N 3.1Å; Y33-I127 HydrophobicContact CD1-CD1 3.99Å; Y33-I127 HydrophobicContact CD2-CD1 4.12Å; Y33-I127 HydrophobicContact CE1-CD1 3.6Å; Y33-I127 HydrophobicContact CE2-CD1 3.77Å; Y33-I127 HydrophobicContact CG-CD1 4.26Å; Y33-I127 VanDerWaalsContact CZ-CD1 3.5Å
34	A	50.6	Low	46.1	Very low	33 Å²	33	89.2 Å²	89.2	27%	0.273	48%	0.479	S	S	.	.	H	α-helix	trans	-66.4	-34.6	174.3	0	0	0	0	0	112.1	A30 E31 K37 L38 P317	A30-A34 PolarHBondContact O-N 2.76Å; E31-A34 CarbonylContact O-C 3.55Å; E31-A34 WeakPolarHBondContact O-CA 3.48Å; E31-A34 WeakPolarHBondContact O-CB 3.38Å; E31-A34 PolarHBondContact O-N 2.72Å; A34-K37 WeakPolarHBondContact O-CA 3.36Å; A34-K37 WeakPolarHBondContact O-CB 3.23Å; A34-K37 PolarHBondContact O-N 3.22Å; A34-K37 VanDerWaalsContact O-N 3.15Å; A34-L38 PolarHBondContact O-N 3.13Å; A34-L38 VanDerWaalsContact O-N 3.15Å; A34-P317 HydrophobicContact CB-CG 4.27Å
35	Q	43	Very low	44.5	Very low	114 Å²	114	93.4 Å²	93.4	53%	0.533	50%	0.501	S	S	.	.	H	α-helix	trans	-67.5	-39.1	173.9	-71	-178	7.6	0	0	111.7	E31 H32 Y33 K37 L38 I39	E31-Q35 WeakPolarHBondContact O-CG 3.32Å; E31-Q35 PolarHBondContact O-N 2.8Å; H32-Q35 PolarHBondContact O-N 3.37Å; Y33-Q35 VanDerWaalsContact C-N 3.33Å; Q35-K37 PolarHBondContact O-N 3.06Å; Q35-L38 PolarHBondContact O-N 3.31Å; Q35-L38 VanDerWaalsContact O-N 3.08Å; Q35-I39 WeakPolarHBondContact O-CG1 3.25Å; Q35-I39 PolarHBondContact O-N 2.67Å
36	V	46.2	Very low	42.8	Very low	74 Å²	74	97.2 Å²	97.2	45%	0.448	52%	0.521	S	S	.	.	H	α-helix	trans	-59.7	-34.2	170.3	176	0	0	0	0	111.2	H32 Y33	H32-V36 WeakPolarHBondContact O-CG2 3.22Å; H32-V36 PolarHBondContact O-N 3.36Å; Y33-V36 PolarHBondContact O-N 2.62Å
37	K	38.9	Very low	41.1	Very low	87 Å²	87	101.4 Å²	101.4	38%	0.378	55%	0.552	S	S	.	*	H	α-helix	trans	-63.6	-38.2	174.2	-152.3	178.2	-177	173.6	0	112.5	Y33 A34 Q35	Y33-K37 PolarHBondContact O-N 3.25Å; Y33-K37 VanDerWaalsContact O-N 3.1Å; A34-K37 WeakPolarHBondContact O-CA 3.36Å; A34-K37 WeakPolarHBondContact O-CB 3.23Å; A34-K37 PolarHBondContact O-N 3.22Å; A34-K37 VanDerWaalsContact O-N 3.15Å; Q35-K37 PolarHBondContact O-N 3.06Å
38	L	33.9	Very low	39.3	Very low	123 Å²	123	105.4 Å²	105.4	64%	0.644	58%	0.582	S	S	*	*	H	α-helix	trans	-77.7	-36.8	-178.4	-91.8	151.4	0	0	0	113.4	A34 Q35 G40 S41	A34-L38 PolarHBondContact O-N 3.13Å; A34-L38 VanDerWaalsContact O-N 3.15Å; Q35-L38 PolarHBondContact O-N 3.31Å; Q35-L38 VanDerWaalsContact O-N 3.08Å; L38-G40 PolarHBondContact O-N 3.46Å; L38-G40 VanDerWaalsContact O-N 3.17Å; L38-S41 PolarHBondContact O-N 3.01Å; L38-S41 VanDerWaalsContact O-N 3.13Å; L38-S41 PolarHBondContact O-OG 3.11Å; L38-S41 VanDerWaalsContact O-OG 3.11Å
39	I	33.7	Very low	37.7	Very low	144 Å²	144	105.1 Å²	105.1	74%	0.738	59%	0.591	S	S	*	*	H	α-helix	trans	-61.3	-27.1	176.3	-63.6	166	0	0	0	110.5	Q35	Q35-I39 WeakPolarHBondContact O-CG1 3.25Å; Q35-I39 PolarHBondContact O-N 2.67Å
40	G	34.6	Very low	36.1	Very low	38 Å²	38	105.3 Å²	105.3	39%	0.392	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.3	-7.8	177.8	0	0	0	0	0	116.9	L38	L38-G40 PolarHBondContact O-N 3.46Å; L38-G40 VanDerWaalsContact O-N 3.17Å
41	S	30.4	Very low	34.5	Very low	76 Å²	76	116.8 Å²	116.8	53%	0.531	65%	0.649	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107.3	5	-179.2	62	0	0	0	0	114.6	L38 T43	L38-S41 PolarHBondContact O-N 3.01Å; L38-S41 VanDerWaalsContact O-N 3.13Å; L38-S41 PolarHBondContact O-OG 3.11Å; L38-S41 VanDerWaalsContact O-OG 3.11Å; S41-T43 VanDerWaalsContact C-N 3.31Å; S41-T43 PolarHBondContact O-N 3.02Å
42	G	26.9	Very low	33.1	Very low	68 Å²	68	119.5 Å²	119.5	70%	0.701	67%	0.666	S	S	*	*			trans	-69.2	84.4	173.2	0	0	0	0	0	111.7	K44	G42-K44 PolarHBondContact O-N 3.23Å; G42-K44 VanDerWaalsContact O-N 3.07Å
43	T	25.7	Very low	31.7	Very low	139 Å²	139	122.8 Å²	122.8	85%	0.853	68%	0.678	S	S	*	*			trans	-67.4	95.9	163.7	47.8	0	0	0	0	108.5	S41	S41-T43 VanDerWaalsContact C-N 3.31Å; S41-T43 PolarHBondContact O-N 3.02Å
44	K	25.9	Very low	30.3	Very low	186 Å²	186	127.6 Å²	127.6	81%	0.809	70%	0.704	S	S	*	*			trans	-118.8	112.5	156.1	-84.4	-169.6	174.7	-177.1	0	107.8	G42 L46	G42-K44 PolarHBondContact O-N 3.23Å; G42-K44 VanDerWaalsContact O-N 3.07Å; K44-L46 PolarHBondContact O-N 2.92Å; K44-L46 VanDerWaalsContact O-N 3.11Å
45	D	25.2	Very low	29	Very low	170 Å²	170	135.2 Å²	135.2	91%	0.909	73%	0.734	S	S	*	*			trans	1.5	89.7	162.8	-58.1	-41.5	0	0	0	115.3
46	L	26.3	Very low	28.1	Very low	169 Å²	169	138.2 Å²	138.2	89%	0.885	75%	0.748	S	S	*	*			trans	-110.5	98.8	163.9	-76.5	164.6	0	0	0	107	K44	K44-L46 PolarHBondContact O-N 2.92Å; K44-L46 VanDerWaalsContact O-N 3.11Å
47	S	23.1	Very low	27.1	Very low	113 Å²	113	140.8 Å²	140.8	79%	0.79	77%	0.766	S	S	*	*			trans	-60.9	143.7	171.7	59.4	0	0	0	0	110.4	P49	S47-P49 WeakPolarHBondContact O-CD 3Å
48	S	20.7	Very low	26.5	Very low	110 Å²	110	144.8 Å²	144.8	77%	0.769	79%	0.79	S	S	*	*			trans	-44.6	117.9	-171.3	-46.2	0	0	0	0	114.9	S50	S48-S50 PolarHBondContact O-N 3.13Å
49	P	25.6	Very low	26.1	Very low	125 Å²	125	143.9 Å²	143.9	81%	0.812	79%	0.794	S	S	*	*			trans	-81.8	112.7	160	6.8	10.2	0	0	0	108.9	S47 R51	S47-P49 WeakPolarHBondContact O-CD 3Å; P49-R51 PolarHBondContact O-N 2.93Å
50	S	25.8	Very low	25.7	Very low	114 Å²	114	142.1 Å²	142.1	80%	0.797	79%	0.794	S	S	*	*			trans	-46	126.3	177.9	-54.7	0	0	0	0	114.8	S48	S48-S50 PolarHBondContact O-N 3.13Å
51	R	24.3	Very low	25.3	Very low	242 Å²	242	146.4 Å²	146.4	91%	0.913	82%	0.815	S	S	*	*			trans	51	84.2	140.7	-136.8	174.1	-171.1	176.2	1.6	116.3	P49 K53	P49-R51 PolarHBondContact O-N 2.93Å; R51-K53 PolarHBondContact O-N 3.43Å
52	I	26.9	Very low	25.2	Very low	168 Å²	168	148.4 Å²	148.4	86%	0.862	82%	0.824	S	S	*	*			trans	-61.1	123.1	164.5	-64.6	168.2	0	0	0	109	Q54	I52-Q54 PolarHBondContact O-N 3Å
53	K	24.9	Very low	25.1	Very low	195 Å²	195	151 Å²	151	85%	0.848	83%	0.832	S	S	*	*			trans	-61.8	129.3	176.5	-82.1	176.8	173.5	176.4	0	110.1	R51 E55	R51-K53 PolarHBondContact O-N 3.43Å; K53-E55 PolarHBondContact O-N 3.45Å
54	Q	23.4	Very low	25.2	Very low	191 Å²	191	152.5 Å²	152.5	89%	0.893	83%	0.829	S	S	*	*			trans	-62.9	112.4	170.7	-73.2	169.9	-23.2	0	0	109.6	I52	I52-Q54 PolarHBondContact O-N 3Å
55	E	23.8	Very low	25.4	Very low	194 Å²	194	148.9 Å²	148.9	91%	0.907	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-73	127.5	167.4	-73.7	-179.9	161.9	0	0	109.6	K53	K53-E55 PolarHBondContact O-N 3.45Å
56	Q	23.1	Very low	25.5	Very low	177 Å²	177	151.2 Å²	151.2	83%	0.827	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-71	150.2	179.3	-73.7	-179.1	-11	0	0	111.3
57	P	25.8	Very low	25.7	Very low	127 Å²	127	145.9 Å²	145.9	83%	0.825	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-75.7	128.3	-166.3	29.7	-33.2	0	0	0	112.2	S59	P57-S59 PolarHBondContact O-N 2.9Å
58	I	26.7	Very low	26.1	Very low	171 Å²	171	147.4 Å²	147.4	88%	0.877	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-67.8	118.1	177	-61.4	166.7	0	0	0	109.2
59	S	25.6	Very low	26.8	Very low	105 Å²	105	151 Å²	151	73%	0.734	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-68.1	142.7	175.6	51.4	0	0	0	0	112.1	P57	P57-S59 PolarHBondContact O-N 2.9Å
60	S	24	Very low	27.1	Very low	106 Å²	106	155.3 Å²	155.3	74%	0.741	82%	0.819	S	S	*	*			trans	-45.4	136.1	-178.2	45.8	0	0	0	0	116.1
61	P	27.9	Very low	27.6	Very low	129 Å²	129	158.5 Å²	158.5	84%	0.838	82%	0.821	S	S	*	*			trans	-81.3	127	-177.4	32.1	-31.7	0	0	0	111.8
62	T	26.6	Very low	28.4	Very low	118 Å²	118	158.7 Å²	158.7	72%	0.724	82%	0.821	S	S	*	*			trans	-69.5	138.8	169.7	36.5	0	0	0	0	111.5	H64	T62-H64 PolarHBondContact O-N 3.29Å
63	S	25.7	Very low	29.4	Very low	122 Å²	122	158.2 Å²	158.2	85%	0.853	81%	0.809	S	S	*	*			trans	-48.1	113.1	178.2	52.5	0	0	0	0	113.7
64	H	28.8	Very low	30.7	Very low	170 Å²	170	152.9 Å²	152.9	79%	0.787	79%	0.792	S	S	*	*			trans	-100	122	162.8	-83.7	-71.1	0	0	0	110.3	T62	T62-H64 PolarHBondContact O-N 3.29Å
65	S	28.4	Very low	32.4	Very low	110 Å²	110	151.2 Å²	151.2	77%	0.769	78%	0.784	S	S	*	*			trans	-57.1	135.5	177.6	47	0	0	0	0	113	G67	S65-G67 PolarHBondContact O-N 2.92Å; S65-G67 VanDerWaalsContact O-N 3.09Å
66	F	27.4	Very low	34.2	Very low	220 Å²	220	149.9 Å²	149.9	97%	0.965	78%	0.776	S	S	*	*			trans	-60.2	102.2	173.5	-74.7	-94.5	0	0	0	111.4
67	G	31.1	Very low	36.1	Very low	57 Å²	57	146.2 Å²	146.2	59%	0.588	76%	0.759	S	S	*	*			trans	-108.4	131.6	170.8	0	0	0	0	0	111	S65	S65-G67 PolarHBondContact O-N 2.92Å; S65-G67 VanDerWaalsContact O-N 3.09Å
68	D	30.6	Very low	37.6	Very low	144 Å²	144	145.3 Å²	145.3	77%	0.77	74%	0.743	S	S	*	*			trans	-50.6	127.6	-172.7	-167.9	8.8	0	0	0	115.4	R70	D68-R70 PolarHBondContact O-N 3.16Å
69	H	35.7	Very low	39.2	Very low	185 Å²	185	141.5 Å²	141.5	86%	0.856	73%	0.725	S	S	*	*			trans	-90.8	73.9	-174.3	-77.2	-66.4	0	0	0	112.7
70	R	31.8	Very low	41.3	Very low	217 Å²	217	142.8 Å²	142.8	82%	0.819	72%	0.719	S	S	*	*			trans	-132.9	68.3	166.9	-74.1	-175.2	176.5	177.6	0.5	112	D68	D68-R70 PolarHBondContact O-N 3.16Å
71	H	37.5	Very low	43.3	Very low	181 Å²	181	141.9 Å²	141.9	84%	0.838	70%	0.703	S	S	*	*			trans	-120.7	132	161.4	-79.9	-72.3	0	0	0	110.6	R73	H71-R73 PolarHBondContact O-N 3.07Å
72	R	41.2	Very low	44.8	Very low	246 Å²	246	140.3 Å²	140.3	93%	0.928	69%	0.687	S	S	*	*			trans	-67.5	110	175.3	-173.2	176.4	-177.7	172.8	-0.3	107.6
73	R	48.4	Very low	46.2	Very low	158 Å²	158	139.8 Å²	139.8	60%	0.596	68%	0.68	S	S	*	*			trans	-57.4	148	-178.3	-71.6	-180	177.5	-167.1	-5	111.5	H71 E81	H71-R73 PolarHBondContact O-N 3.07Å; R73-E81 IonicContact NH1-OE2 3.02Å; R73-E81 PolarHBondContact NH1-OE2 3.47Å
74	T	50.9	Low	47.7	Very low	82 Å²	82	137.4 Å²	137.4	50%	0.503	66%	0.66	S	S	.	*			trans	-97.3	148.6	178.7	60.5	0	0	0	0	110.7	K76 E77 E78	T74-K76 PolarHBondContact O-N 3.45Å; T74-E77 PolarHBondContact N-OE2 3.1Å; T74-E77 WeakPolarHBondContact O-CB 3.39Å; T74-E77 PolarHBondContact O-N 3.33Å; T74-E78 PolarHBondContact O-N 3.33Å
75	E	60.3	Low	48.6	Very low	156 Å²	156	135 Å²	135	73%	0.729	65%	0.649	S	S	*	*	H	α-helix	trans	-50.4	-32.9	-177.7	-165	179.6	-158.7	0	0	112.9	E77 E78 D79	E75-E77 PolarHBondContact O-N 3.2Å; E75-E78 PolarHBondContact O-N 3.46Å; E75-D79 PolarHBondContact O-N 3.06Å
76	K	61.5	Low	49.3	Very low	166 Å²	166	133.9 Å²	133.9	72%	0.722	64%	0.638	S	S	*	*	H	α-helix	trans	-68.1	-31.4	178.3	-152	179.3	-175.4	-175.4	0	113.8	T74 E80	T74-K76 PolarHBondContact O-N 3.45Å; K76-E80 PolarHBondContact O-N 3.32Å; K76-E80 VanDerWaalsContact O-N 3.16Å
77	E	62.9	Low	50	Low	101 Å²	101	130.8 Å²	130.8	47%	0.472	62%	0.624	S	S	.	*	H	α-helix	trans	-74.8	-33.9	174.9	-67.1	173.2	146.2	0	0	111.1	T74 E75 E81	T74-E77 PolarHBondContact N-OE2 3.1Å; T74-E77 WeakPolarHBondContact O-CB 3.39Å; T74-E77 PolarHBondContact O-N 3.33Å; E75-E77 PolarHBondContact O-N 3.2Å; E77-E81 WeakPolarHBondContact O-CB 3.34Å; E77-E81 PolarHBondContact O-N 2.85Å
78	E	56.9	Low	50.6	Low	107 Å²	107	134.3 Å²	134.3	50%	0.5	63%	0.625	S	S	.	*	H	α-helix	trans	-67.4	-41.4	174	-70.8	-175.4	160.4	0	0	111.5	T74 E75 E81 L82	T74-E78 PolarHBondContact O-N 3.33Å; E75-E78 PolarHBondContact O-N 3.46Å; E78-E81 PolarHBondContact O-N 3.33Å; E78-L82 WeakPolarHBondContact O-CB 3.24Å; E78-L82 WeakPolarHBondContact O-CG 3.08Å; E78-L82 PolarHBondContact O-N 2.97Å
79	D	60.1	Low	51	Low	91 Å²	91	131.9 Å²	131.9	49%	0.487	62%	0.619	S	S	.	*	H	α-helix	trans	-65.4	-40	175.6	-83.4	-12.8	0	0	0	112.6	E75 L82 L83	E75-D79 PolarHBondContact O-N 3.06Å; D79-L82 PolarHBondContact O-N 2.93Å; D79-L83 VanDerWaalsContact O-CB 3.31Å; D79-L83 WeakPolarHBondContact O-CB 3.49Å; D79-L83 WeakPolarHBondContact O-CD1 3.36Å; D79-L83 VanDerWaalsContact O-CG 3.32Å; D79-L83 WeakPolarHBondContact O-CG 3.48Å; D79-L83 PolarHBondContact O-N 3.38Å
80	E	68.9	Low	51	Low	132 Å²	132	127.5 Å²	127.5	62%	0.617	61%	0.61	S	S	*	*	H	α-helix	trans	-64.8	-40.4	173.7	-98.6	-176.2	162.5	0	0	111.7	K76 L83 T84	K76-E80 PolarHBondContact O-N 3.32Å; K76-E80 VanDerWaalsContact O-N 3.16Å; E80-L83 PolarHBondContact O-N 3.24Å; E80-T84 WeakPolarHBondContact O-CG2 3.46Å; E80-T84 PolarHBondContact O-N 3.49Å; E80-T84 PolarHBondContact O-OG1 3.41Å
81	E	66.7	Low	51.8	Low	88 Å²	88	119.7 Å²	119.7	41%	0.411	59%	0.588	S	S	.	*	H	α-helix	trans	-63.2	-48.3	175.6	-168.1	165.4	-161.7	0	0	110.5	R73 E77 E78 L83 T84 E85	R73-E81 IonicContact NH1-OE2 3.02Å; R73-E81 PolarHBondContact NH1-OE2 3.47Å; E77-E81 WeakPolarHBondContact O-CB 3.34Å; E77-E81 PolarHBondContact O-N 2.85Å; E78-E81 PolarHBondContact O-N 3.33Å; E81-L83 VanDerWaalsContact C-N 3.33Å; E81-L83 PolarHBondContact O-N 3.47Å; E81-T84 WeakPolarHBondContact CA-OG1 3.3Å; E81-T84 CarbonylContact O-C 3.57Å; E81-T84 PolarHBondContact O-N 2.91Å; E81-T84 VanDerWaalsContact O-N 3.08Å; E81-T84 PolarHBondContact O-OG1 3.03Å; E81-E85 WeakPolarHBondContact O-CG 3.47Å; E81-E85 PolarHBondContact O-N 3.46Å
82	L	59.4	Low	52.6	Low	96 Å²	96	114.2 Å²	114.2	50%	0.503	58%	0.58	S	S	.	*	H	α-helix	trans	-59.5	-40.4	175	-79.7	163.9	0	0	0	112.4	E78 D79 E85 T86	E78-L82 WeakPolarHBondContact O-CB 3.24Å; E78-L82 WeakPolarHBondContact O-CG 3.08Å; E78-L82 PolarHBondContact O-N 2.97Å; D79-L82 PolarHBondContact O-N 2.93Å; L82-E85 PolarHBondContact O-N 3.24Å; L82-T86 WeakPolarHBondContact O-CB 3.27Å; L82-T86 PolarHBondContact O-N 2.88Å; L82-T86 PolarHBondContact O-OG1 3.47Å
83	L	56.7	Low	53.7	Low	107 Å²	107	106.2 Å²	106.2	56%	0.56	56%	0.555	S	S	*	*	H	α-helix	trans	-67.9	-35.7	175.4	-80.3	162.4	0	0	0	112.1	D79 E80 E81 K87	D79-L83 VanDerWaalsContact O-CB 3.31Å; D79-L83 WeakPolarHBondContact O-CB 3.49Å; D79-L83 WeakPolarHBondContact O-CD1 3.36Å; D79-L83 VanDerWaalsContact O-CG 3.32Å; D79-L83 WeakPolarHBondContact O-CG 3.48Å; D79-L83 PolarHBondContact O-N 3.38Å; E80-L83 PolarHBondContact O-N 3.24Å; E81-L83 VanDerWaalsContact C-N 3.33Å; E81-L83 PolarHBondContact O-N 3.47Å; L83-K87 WeakPolarHBondContact O-CB 3.45Å; L83-K87 VanDerWaalsContact O-CG 3.32Å; L83-K87 WeakPolarHBondContact O-CG 3.32Å; L83-K87 PolarHBondContact O-N 2.84Å
84	T	56.9	Low	54.8	Low	72 Å²	72	102.8 Å²	102.8	44%	0.442	55%	0.546	S	S	.	.	H	α-helix	trans	-68.8	-41.2	172	57.4	0	0	0	0	111.7	E80 E81 T86 K87 H88	E80-T84 WeakPolarHBondContact O-CG2 3.46Å; E80-T84 PolarHBondContact O-N 3.49Å; E80-T84 PolarHBondContact O-OG1 3.41Å; E81-T84 WeakPolarHBondContact CA-OG1 3.3Å; E81-T84 CarbonylContact O-C 3.57Å; E81-T84 PolarHBondContact O-N 2.91Å; E81-T84 VanDerWaalsContact O-N 3.08Å; E81-T84 PolarHBondContact O-OG1 3.03Å; T84-T86 PolarHBondContact O-N 2.85Å; T84-K87 PolarHBondContact O-N 2.98Å; T84-H88 WeakPolarHBondContact O-CB 3.38Å; T84-H88 PolarHBondContact O-CD2 3.45Å; T84-H88 VanDerWaalsContact O-CG 3.29Å; T84-H88 PolarHBondContact O-N 3.18Å
85	E	47.4	Very low	56.4	Low	118 Å²	118	105.7 Å²	105.7	55%	0.551	55%	0.548	S	S	*	.	H	α-helix	trans	-63.2	-40.4	174.7	-73.7	-166.6	156	0	0	111.8	E81 L82 H88 S89	E81-E85 WeakPolarHBondContact O-CG 3.47Å; E81-E85 PolarHBondContact O-N 3.46Å; L82-E85 PolarHBondContact O-N 3.24Å; E85-H88 CarbonylContact O-C 3.51Å; E85-H88 PolarHBondContact O-N 2.97Å; E85-S89 PolarHBondContact O-N 3.38Å
86	T	42.7	Very low	57.7	Low	87 Å²	87	99.4 Å²	99.4	53%	0.534	52%	0.518	S	S	.	.	H	α-helix	trans	-72.4	-33.4	177.8	-43.6	0	0	0	0	112	L82 T84 H88 S89	L82-T86 WeakPolarHBondContact O-CB 3.27Å; L82-T86 PolarHBondContact O-N 2.88Å; L82-T86 PolarHBondContact O-OG1 3.47Å; T84-T86 PolarHBondContact O-N 2.85Å; T86-H88 VanDerWaalsContact C-N 3.35Å; T86-S89 PolarHBondContact O-N 3.01Å; T86-S89 PolarHBondContact O-OG 3.38Å
87	K	42.1	Very low	59	Low	155 Å²	155	100.2 Å²	100.2	67%	0.674	52%	0.524	S	S	*	.	H	α-helix	trans	-68.5	-36.5	169.6	-77.5	177.8	-179.2	175.8	0	111.1	L83 T84 S90	L83-K87 WeakPolarHBondContact O-CB 3.45Å; L83-K87 VanDerWaalsContact O-CG 3.32Å; L83-K87 WeakPolarHBondContact O-CG 3.32Å; L83-K87 PolarHBondContact O-N 2.84Å; T84-K87 PolarHBondContact O-N 2.98Å; K87-S90 PolarHBondContact O-N 2.87Å; K87-S90 PolarHBondContact O-OG 3.28Å
88	H	45.2	Very low	60.3	Low	131 Å²	131	98.4 Å²	98.4	61%	0.606	53%	0.527	S	S	*	.	H	α-helix	trans	-72.5	-25	175.1	-72.9	-51.5	0	0	0	113.7	T84 E85 T86 S90 S91	T84-H88 WeakPolarHBondContact O-CB 3.38Å; T84-H88 PolarHBondContact O-CD2 3.45Å; T84-H88 VanDerWaalsContact O-CG 3.29Å; T84-H88 PolarHBondContact O-N 3.18Å; E85-H88 CarbonylContact O-C 3.51Å; E85-H88 PolarHBondContact O-N 2.97Å; T86-H88 VanDerWaalsContact C-N 3.35Å; H88-S90 PolarHBondContact O-N 3.32Å; H88-S91 WeakPolarHBondContact O-CB 3.44Å; H88-S91 PolarHBondContact O-N 3.5Å; H88-S91 VanDerWaalsContact O-N 3.17Å; H88-S91 PolarHBondContact O-OG 3.11Å
89	S	37.6	Very low	61.9	Low	94 Å²	94	94.9 Å²	94.9	66%	0.657	51%	0.514	S	S	*	.	H	α-helix	trans	-70.3	-22.3	174.9	70.3	0	0	0	0	112.9	E85 T86 S91	E85-S89 PolarHBondContact O-N 3.38Å; T86-S89 PolarHBondContact O-N 3.01Å; T86-S89 PolarHBondContact O-OG 3.38Å; S89-S91 PolarHBondContact O-N 3.14Å
90	S	35.6	Very low	63.4	Low	93 Å²	93	90.7 Å²	90.7	65%	0.65	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	27.7	169	66.2	0	0	0	0	113.6	K87 H88 G92	K87-S90 PolarHBondContact O-N 2.87Å; K87-S90 PolarHBondContact O-OG 3.28Å; H88-S90 PolarHBondContact O-N 3.32Å; S90-G92 VanDerWaalsContact C-N 3.35Å; S90-G92 PolarHBondContact O-N 3.34Å
91	S	48.8	Very low	64.5	Low	52 Å²	52	91.9 Å²	91.9	36%	0.364	49%	0.491	S	S	.	.			trans	-57.9	90.5	175.6	-76.1	0	0	0	0	111.1	H88 S89 I93	H88-S91 WeakPolarHBondContact O-CB 3.44Å; H88-S91 PolarHBondContact O-N 3.5Å; H88-S91 VanDerWaalsContact O-N 3.17Å; H88-S91 PolarHBondContact O-OG 3.11Å; S89-S91 PolarHBondContact O-N 3.14Å; S91-I93 PolarHBondContact O-N 3.37Å
92	G	54.9	Low	65.8	Low	66 Å²	66	87.8 Å²	87.8	68%	0.68	47%	0.472	S	S	*	.			trans	-48.1	129.8	168.2	0	0	0	0	0	109.6	S90 Q94	S90-G92 VanDerWaalsContact C-N 3.35Å; S90-G92 PolarHBondContact O-N 3.34Å; G92-Q94 PolarHBondContact O-N 3.13Å
93	I	63.5	Low	67.4	Low	78 Å²	78	83.9 Å²	83.9	40%	0.4	45%	0.451	S	S	.	.			trans	-57.2	110.1	179.4	-64.8	170.1	0	0	0	107.7	S91 R95 I120 Q121	S91-I93 PolarHBondContact O-N 3.37Å; I93-R95 PolarHBondContact O-N 3.35Å; I93-I120 HydrophobicContact CG2-CG2 4.46Å; I93-Q121 HydrophobicContact CG2-CG 4.38Å
94	Q	72.1	Confident	69	Low	86 Å²	86	85.4 Å²	85.4	40%	0.402	45%	0.453	S	S	.	.			trans	-64.4	111.5	179.8	-170	168.4	19.6	0	0	109	G92 Y149	G92-Q94 PolarHBondContact O-N 3.13Å; Q94-Y149 HydrophobicContact CB-CE2 4.31Å
95	R	83.5	Confident	70.1	Confident	144 Å²	144	83.1 Å²	83.1	54%	0.543	44%	0.444	S	S	.	.			trans	-109.7	131.2	-179.3	-175.1	176.8	176.5	158.1	-3.6	108.5	I93	I93-R95 PolarHBondContact O-N 3.35Å
96	F	89.2	Confident	72	Confident	23 Å²	23	79.3 Å²	79.3	10%	0.101	44%	0.437	C	S	.	.			trans	-90.5	129.8	174.1	-65.9	-77.6	0	0	0	109.8	P100 Y102 I113 L116 N117 I120 Y149	F96-P100 HydrophobicContact CD1-CB 3.96Å; F96-P100 HydrophobicContact CD1-CG 3.88Å; F96-P100 HydrophobicContact CD2-CG 4.11Å; F96-P100 HydrophobicContact CE1-CB 3.74Å; F96-P100 HydrophobicContact CE1-CG 4.05Å; F96-P100 HydrophobicContact CE2-CG 4.27Å; F96-P100 HydrophobicContact CG-CB 4.48Å; F96-P100 HydrophobicContact CG-CG 3.92Å; F96-P100 HydrophobicContact CZ-CB 4.07Å; F96-P100 HydrophobicContact CZ-CG 4.25Å; F96-Y102 HydrophobicContact CZ-CE1 4.16Å; F96-I113 HydrophobicContact CB-CG2 4.15Å; F96-I113 WeakPolarHBondContact O-CG2 3.39Å; F96-L116 HydrophobicContact CD2-CD2 3.98Å; F96-L116 HydrophobicContact CE2-CD2 4.47Å; F96-N117 PolarHBondContact N-OD1 3.28Å; F96-N117 PolarHBondContact O-ND2 3.44Å; F96-I120 HydrophobicContact CD2-CD1 3.7Å; F96-I120 HydrophobicContact CE2-CD1 3.64Å; F96-Y149 AromaticContact CE2-CD2 3.74Å; F96-Y149 HydrophobicContact CE2-CD2 3.74Å; F96-Y149 HydrophobicContact CE2-CE2 4.36Å; F96-Y149 HydrophobicContact CZ-CD2 4.12Å
97	E	88	Confident	74.1	Confident	183 Å²	183	82.6 Å²	82.6	86%	0.855	45%	0.446	S	S	*	.	S	Bend	trans	-95.1	-24.1	169.6	-63.3	-172.4	164.3	0	0	111.8
98	A	89	Confident	76.4	Confident	64 Å²	64	75.6 Å²	75.6	53%	0.529	42%	0.416	S	S	.	.	S	Bend	trans	-126.7	178.6	177.8	0	0	0	0	0	110.6
99	S	90.6	Very high	78.5	Confident	32 Å²	32	73.5 Å²	73.5	22%	0.224	40%	0.402	C	S	.	.			trans	-56.7	129.5	174.4	-59.7	0	0	0	0	110.5	E107 M108	S99-E107 WeakPolarHBondContact OG-CA 3.37Å; S99-M108 PolarHBondContact OG-N 3.27Å
100	P	92.6	Very high	80.9	Confident	3 Å²	3	74.6 Å²	74.6	2%	0.019	40%	0.401	C	S	.	.			trans	-60	143.6	177.2	-20.6	29.9	0	0	0	111.8	F96 Y102 V103 L116	F96-P100 HydrophobicContact CD1-CB 3.96Å; F96-P100 HydrophobicContact CD1-CG 3.88Å; F96-P100 HydrophobicContact CD2-CG 4.11Å; F96-P100 HydrophobicContact CE1-CB 3.74Å; F96-P100 HydrophobicContact CE1-CG 4.05Å; F96-P100 HydrophobicContact CE2-CG 4.27Å; F96-P100 HydrophobicContact CG-CB 4.48Å; F96-P100 HydrophobicContact CG-CG 3.92Å; F96-P100 HydrophobicContact CZ-CB 4.07Å; F96-P100 HydrophobicContact CZ-CG 4.25Å; P100-Y102 HydrophobicContact CB-CD1 3.96Å; P100-Y102 HydrophobicContact CB-CD2 4.23Å; P100-Y102 HydrophobicContact CB-CE1 3.39Å; P100-Y102 HydrophobicContact CB-CE2 3.68Å; P100-Y102 HydrophobicContact CB-CG 4.34Å; P100-Y102 WeakPolarHBondContact CB-OH 3.28Å; P100-Y102 HydrophobicContact CG-CE1 4.35Å; P100-Y102 HydrophobicContact CG-CE2 4.17Å; P100-Y102 WeakPolarHBondContact CG-OH 3.38Å; P100-Y102 PolarHBondContact O-N 2.98Å; P100-Y102 VanDerWaalsContact O-N 3.07Å; P100-V103 HydrophobicContact CB-CG2 4.22Å; P100-V103 HydrophobicContact CG-CG2 4.25Å; P100-V103 WeakPolarHBondContact O-CB 3.37Å; P100-V103 PolarHBondContact O-N 3.1Å; P100-L116 HydrophobicContact CG-CD2 3.52Å
101	W	92.7	Very high	83.5	Confident	157 Å²	157	70.4 Å²	70.4	60%	0.595	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.2	-173.9	63.4	-97.6	0	0	0	114.8	V103 K104 H152	W101-V103 VanDerWaalsContact C-N 3.33Å; W101-K104 WeakPolarHBondContact O-CE 3.13Å; W101-K104 PolarHBondContact O-NZ 3.03Å; W101-H152 HydrophobicContact CH2-CB 4.16Å; W101-H152 AromaticContact CH2-CG 3.91Å; W101-H152 AromaticContact CH2-ND1 3.55Å; W101-H152 HydrophobicContact CZ2-CB 3.83Å
102	Y	92.9	Very high	85.6	Confident	3 Å²	3	68.2 Å²	68.2	1%	0.012	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-10.9	176.3	54.2	-102.7	0	0	0	113.2	F96 P100 K104 S145 Y149 H152 V180	F96-Y102 HydrophobicContact CZ-CE1 4.16Å; P100-Y102 HydrophobicContact CB-CD1 3.96Å; P100-Y102 HydrophobicContact CB-CD2 4.23Å; P100-Y102 HydrophobicContact CB-CE1 3.39Å; P100-Y102 HydrophobicContact CB-CE2 3.68Å; P100-Y102 HydrophobicContact CB-CG 4.34Å; P100-Y102 WeakPolarHBondContact CB-OH 3.28Å; P100-Y102 HydrophobicContact CG-CE1 4.35Å; P100-Y102 HydrophobicContact CG-CE2 4.17Å; P100-Y102 WeakPolarHBondContact CG-OH 3.38Å; P100-Y102 PolarHBondContact O-N 2.98Å; P100-Y102 VanDerWaalsContact O-N 3.07Å; Y102-K104 PolarHBondContact O-N 2.98Å; Y102-S145 PolarHBondContact OH-O 3.21Å; Y102-Y149 WeakPolarHBondContact OH-CA 3.26Å; Y102-Y149 WeakPolarHBondContact OH-CB 3.46Å; Y102-Y149 PolarHBondContact OH-N 2.91Å; Y102-H152 VanDerWaalsContact CB-CD2 3.41Å; Y102-H152 WeakPolarHBondContact CB-CD2 3.45Å; Y102-H152 HydrophobicContact CD1-CB 3.85Å; Y102-H152 AromaticContact CD1-CD2 3.9Å; Y102-H152 HydrophobicContact CE1-CB 4.41Å; Y102-H152 HydrophobicContact CG-CB 4.44Å; Y102-H152 AromaticContact CG-CD2 3.58Å; Y102-V180 HydrophobicContact CD2-CG1 4.31Å; Y102-V180 HydrophobicContact CD2-CG2 4.19Å
103	V	93.1	Very high	87.4	Confident	13 Å²	13	65.6 Å²	65.6	8%	0.079	33%	0.325	C	S	.	.			trans	-82.8	110.7	172.1	-178.4	0	0	0	0	108.3	P100 W101 M108 L141 W179 V180	P100-V103 HydrophobicContact CB-CG2 4.22Å; P100-V103 HydrophobicContact CG-CG2 4.25Å; P100-V103 WeakPolarHBondContact O-CB 3.37Å; P100-V103 PolarHBondContact O-N 3.1Å; W101-V103 VanDerWaalsContact C-N 3.33Å; V103-M108 HydrophobicContact CG1-CG 4.34Å; V103-M108 HydrophobicContact CG2-SD 4.2Å; V103-L141 HydrophobicContact CG1-CD1 4.37Å; V103-W179 CarbonylContact C-O 3.6Å; V103-W179 VanDerWaalsContact CA-O 3.27Å; V103-W179 WeakPolarHBondContact CA-O 3.26Å; V103-W179 HydrophobicContact CG1-CE3 3.72Å; V103-W179 HydrophobicContact CG1-CZ3 4.37Å; V103-V180 HydrophobicContact CG2-CG2 4.27Å
104	K	89.7	Confident	88.7	Confident	139 Å²	139	69 Å²	69	60%	0.604	33%	0.333	S	S	*	.			trans	-102.8	-25.1	-172.2	-60.6	-54.3	-170.9	-170.3	0	114.4	W101 Y102 G106 W179 P181	W101-K104 WeakPolarHBondContact O-CE 3.13Å; W101-K104 PolarHBondContact O-NZ 3.03Å; Y102-K104 PolarHBondContact O-N 2.98Å; K104-G106 PolarHBondContact O-N 3.35Å; K104-G106 VanDerWaalsContact O-N 3.08Å; K104-W179 PolarHBondContact N-O 3.25Å; K104-P181 HydrophobicContact CG-CG 4.39Å
105	G	81.3	Confident	89.6	Confident	24 Å²	24	64.9 Å²	64.9	25%	0.247	31%	0.314	C	S	.	.	S	Bend	trans	-72.8	4.2	-172.6	0	0	0	0	0	116.7	R178 W179	G105-R178 VanDerWaalsContact CA-O 3.25Å; G105-R178 WeakPolarHBondContact CA-O 3.42Å; G105-R178 PolarHBondContact N-O 3.34Å; G105-W179 WeakPolarHBondContact O-CH2 3.3Å; G105-W179 VanDerWaalsContact O-CZ3 3.3Å; G105-W179 WeakPolarHBondContact O-CZ3 3.39Å
106	G	86.3	Confident	90.2	Very high	38 Å²	38	58 Å²	58	39%	0.392	29%	0.288	S	S	.	.	S	Bend	trans	134.6	-174.3	-176.2	0	0	0	0	0	113	K104 W179	K104-G106 PolarHBondContact O-N 3.35Å; K104-G106 VanDerWaalsContact O-N 3.08Å; G106-W179 VanDerWaalsContact N-CZ3 3.35Å
107	E	87.4	Confident	90.4	Very high	157 Å²	157	57.7 Å²	57.7	73%	0.734	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-89.5	130.1	178.4	-65.7	-175.6	163.3	0	0	112.8	S99 R109	S99-E107 WeakPolarHBondContact OG-CA 3.37Å; E107-R109 PolarHBondContact O-NH1 2.77Å
108	M	91.1	Very high	90.6	Very high	8 Å²	8	49.9 Å²	49.9	4%	0.039	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-65.7	141.7	166.5	-62.5	-174.4	69.6	0	0	110.5	S99 V103 Q112 I113 L116 L141 Q142 S145	S99-M108 PolarHBondContact OG-N 3.27Å; V103-M108 HydrophobicContact CG1-CG 4.34Å; V103-M108 HydrophobicContact CG2-SD 4.2Å; M108-Q112 HydrophobicContact CB-CB 4.24Å; M108-Q112 HydrophobicContact CE-CB 3.74Å; M108-I113 HydrophobicContact CB-CD1 4.41Å; M108-I113 HydrophobicContact CB-CG1 3.86Å; M108-L116 HydrophobicContact CE-CB 4.39Å; M108-L116 HydrophobicContact CE-CD2 4.47Å; M108-L116 HydrophobicContact SD-CD2 4.4Å; M108-L141 HydrophobicContact CE-CG 4.35Å; M108-L141 HydrophobicContact CG-CD2 4.16Å; M108-L141 HydrophobicContact CG-CG 4.4Å; M108-Q142 HydrophobicContact CE-CG 4.46Å; M108-S145 PolarHBondContact SD-OG 2.85Å
109	R	88.3	Confident	90.8	Very high	86 Å²	86	47 Å²	47	33%	0.325	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-72.6	156.3	173	-58	-66.7	-175.3	-99.4	2.9	111.1	E107 Y111 Q112 I113	E107-R109 PolarHBondContact O-NH1 2.77Å; R109-Y111 VanDerWaalsContact C-N 3.26Å; R109-Y111 HydrophobicContact CB-CD1 3.81Å; R109-Y111 HydrophobicContact CB-CE1 3.44Å; R109-Y111 VanDerWaalsContact CB-CE1 3.44Å; R109-Y111 HydrophobicContact CG-CE1 3.89Å; R109-Y111 PolarHBondContact O-N 2.69Å; R109-Y111 VanDerWaalsContact O-N 3.15Å; R109-Q112 HydrophobicContact CB-CG 4.08Å; R109-Q112 WeakPolarHBondContact O-CA 3.44Å; R109-Q112 VanDerWaalsContact O-CB 3.29Å; R109-Q112 WeakPolarHBondContact O-CB 3.43Å; R109-Q112 PolarHBondContact O-N 3.13Å; R109-I113 PolarHBondContact O-N 2.98Å
110	D	88.9	Confident	90.8	Very high	118 Å²	118	45.4 Å²	45.4	63%	0.631	22%	0.215	S	C	*	.	H	α-helix	trans	-55.3	-38.6	-178.3	-51.9	-12.7	0	0	0	113.4	I113 R114	D110-I113 PolarHBondContact O-N 3.15Å; D110-R114 WeakPolarHBondContact O-CG 3.36Å; D110-R114 PolarHBondContact O-N 3.3Å; D110-R114 PolarHBondContact O-NE 2.99Å
111	Y	89.5	Confident	90.6	Very high	5 Å²	5	48 Å²	48	2%	0.02	23%	0.226	C	C	.	.	H	α-helix	trans	-70.8	-34.6	174.9	67	-92.9	0	0	0	111.4	R109 I113 R114 G115 L137 R322 V327 E328 I524	R109-Y111 VanDerWaalsContact C-N 3.26Å; R109-Y111 HydrophobicContact CB-CD1 3.81Å; R109-Y111 HydrophobicContact CB-CE1 3.44Å; R109-Y111 VanDerWaalsContact CB-CE1 3.44Å; R109-Y111 HydrophobicContact CG-CE1 3.89Å; R109-Y111 PolarHBondContact O-N 2.69Å; R109-Y111 VanDerWaalsContact O-N 3.15Å; Y111-I113 VanDerWaalsContact C-N 3.31Å; Y111-I113 PolarHBondContact O-N 2.73Å; Y111-R114 PolarHBondContact O-N 2.91Å; Y111-G115 PolarHBondContact O-N 3.2Å; Y111-L137 HydrophobicContact CE2-CB 4Å; Y111-L137 HydrophobicContact CE2-CD2 3.86Å; Y111-L137 HydrophobicContact CE2-CG 4.47Å; Y111-L137 WeakPolarHBondContact CE2-O 3.45Å; Y111-R322 PolarHBondContact O-NH1 3.4Å; Y111-V327 HydrophobicContact CD1-CB 3.85Å; Y111-V327 HydrophobicContact CD1-CG2 3.99Å; Y111-V327 HydrophobicContact CD2-CB 4.46Å; Y111-V327 HydrophobicContact CD2-CG2 4.08Å; Y111-V327 HydrophobicContact CE1-CB 4.47Å; Y111-V327 HydrophobicContact CE1-CG2 4.2Å; Y111-V327 HydrophobicContact CE2-CG2 4.29Å; Y111-V327 HydrophobicContact CG-CB 3.85Å; Y111-V327 HydrophobicContact CG-CG2 3.93Å; Y111-E328 HydrophobicContact CE1-CB 4.31Å; Y111-E328 WeakPolarHBondContact CE1-OE2 3.38Å; Y111-E328 PolarHBondContact OH-OE2 3.4Å; Y111-I524 WeakPolarHBondContact OH-CD1 3.47Å
112	Q	92.5	Very high	90.4	Very high	6 Å²	6	41.2 Å²	41.2	3%	0.028	20%	0.202	C	C	.	.	H	α-helix	trans	-65.4	-38.9	175.6	-61.7	173.9	-28.6	0	0	110.8	M108 R109 G115 L116 L137 Q142	M108-Q112 HydrophobicContact CB-CB 4.24Å; M108-Q112 HydrophobicContact CE-CB 3.74Å; R109-Q112 HydrophobicContact CB-CG 4.08Å; R109-Q112 WeakPolarHBondContact O-CA 3.44Å; R109-Q112 VanDerWaalsContact O-CB 3.29Å; R109-Q112 WeakPolarHBondContact O-CB 3.43Å; R109-Q112 PolarHBondContact O-N 3.13Å; Q112-G115 PolarHBondContact O-N 3Å; Q112-L116 WeakPolarHBondContact O-CB 3.29Å; Q112-L116 PolarHBondContact O-N 3.08Å; Q112-L137 PolarHBondContact NE2-O 3.12Å; Q112-Q142 HydrophobicContact CB-CG 3.82Å; Q112-Q142 HydrophobicContact CG-CG 4.08Å
113	I	92.9	Very high	90.1	Very high	10 Å²	10	41.6 Å²	41.6	5%	0.051	20%	0.203	C	C	.	.	H	α-helix	trans	-63.9	-45	173.3	-63	165	0	0	0	110.5	F96 M108 R109 D110 Y111 G115 L116 N117	F96-I113 HydrophobicContact CB-CG2 4.15Å; F96-I113 WeakPolarHBondContact O-CG2 3.39Å; M108-I113 HydrophobicContact CB-CD1 4.41Å; M108-I113 HydrophobicContact CB-CG1 3.86Å; R109-I113 PolarHBondContact O-N 2.98Å; D110-I113 PolarHBondContact O-N 3.15Å; Y111-I113 VanDerWaalsContact C-N 3.31Å; Y111-I113 PolarHBondContact O-N 2.73Å; I113-G115 VanDerWaalsContact C-N 3.29Å; I113-G115 PolarHBondContact O-N 3.13Å; I113-L116 WeakPolarHBondContact O-CB 3.48Å; I113-L116 PolarHBondContact O-N 3.11Å; I113-N117 PolarHBondContact O-N 3.27Å; I113-N117 PolarHBondContact O-ND2 2.97Å
114	R	90.6	Very high	89.7	Confident	150 Å²	150	44.5 Å²	44.5	57%	0.566	22%	0.216	S	C	*	.	H	α-helix	trans	-59.2	-38.9	173.2	-76.4	-177.4	-84.3	172	-8.3	112.6	D110 Y111 W118	D110-R114 WeakPolarHBondContact O-CG 3.36Å; D110-R114 PolarHBondContact O-N 3.3Å; D110-R114 PolarHBondContact O-NE 2.99Å; Y111-R114 PolarHBondContact O-N 2.91Å; R114-W118 WeakPolarHBondContact O-CB 3.35Å; R114-W118 PolarHBondContact O-N 3.42Å
115	G	92.6	Very high	89.3	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-71.2	-37.1	177	0	0	0	0	0	113	Y111 Q112 I113 W118 M119	Y111-G115 PolarHBondContact O-N 3.2Å; Q112-G115 PolarHBondContact O-N 3Å; I113-G115 VanDerWaalsContact C-N 3.29Å; I113-G115 PolarHBondContact O-N 3.13Å; G115-W118 PolarHBondContact O-N 3.09Å; G115-M119 WeakPolarHBondContact O-CG 3.05Å; G115-M119 PolarHBondContact O-N 3.41Å
116	L	94.4	Very high	89.4	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.2	-50.3	169.9	174.4	61.5	0	0	0	111.1	F96 P100 M108 Q112 I113 W118 M119 I120 L146	F96-L116 HydrophobicContact CD2-CD2 3.98Å; F96-L116 HydrophobicContact CE2-CD2 4.47Å; P100-L116 HydrophobicContact CG-CD2 3.52Å; M108-L116 HydrophobicContact CE-CB 4.39Å; M108-L116 HydrophobicContact CE-CD2 4.47Å; M108-L116 HydrophobicContact SD-CD2 4.4Å; Q112-L116 WeakPolarHBondContact O-CB 3.29Å; Q112-L116 PolarHBondContact O-N 3.08Å; I113-L116 WeakPolarHBondContact O-CB 3.48Å; I113-L116 PolarHBondContact O-N 3.11Å; L116-W118 VanDerWaalsContact C-N 3.28Å; L116-W118 PolarHBondContact O-N 3.46Å; L116-M119 CarbonylContact O-C 3.49Å; L116-M119 PolarHBondContact O-N 3.15Å; L116-M119 VanDerWaalsContact O-N 3.08Å; L116-I120 HydrophobicContact CD1-CD1 4.06Å; L116-I120 HydrophobicContact CD1-CG1 4.21Å; L116-I120 HydrophobicContact CG-CD1 3.86Å; L116-I120 HydrophobicContact CG-CG1 4.43Å; L116-I120 WeakPolarHBondContact O-CG1 3.48Å; L116-I120 PolarHBondContact O-N 3.26Å; L116-L146 HydrophobicContact CD1-CB 4.11Å
117	N	93.5	Very high	89.2	Confident	15 Å²	15	45 Å²	45	8%	0.08	21%	0.21	C	C	.	.	H	α-helix	trans	-59.4	-39.5	177.9	-71.8	-32	0	0	0	112	F96 I113 I120 Q121	F96-N117 PolarHBondContact N-OD1 3.28Å; F96-N117 PolarHBondContact O-ND2 3.44Å; I113-N117 PolarHBondContact O-N 3.27Å; I113-N117 PolarHBondContact O-ND2 2.97Å; N117-I120 PolarHBondContact O-N 2.89Å; N117-Q121 WeakPolarHBondContact O-CG 3.18Å; N117-Q121 PolarHBondContact O-N 3.26Å
118	W	92.3	Very high	89.3	Confident	20 Å²	20	38.6 Å²	38.6	8%	0.076	18%	0.181	C	C	.	.	H	α-helix	trans	-60.6	-45.5	173.3	173.4	75.7	0	0	0	111.7	R114 G115 L116 I120 Q121 L122 I130 F318 L320	R114-W118 WeakPolarHBondContact O-CB 3.35Å; R114-W118 PolarHBondContact O-N 3.42Å; G115-W118 PolarHBondContact O-N 3.09Å; L116-W118 VanDerWaalsContact C-N 3.28Å; L116-W118 PolarHBondContact O-N 3.46Å; W118-I120 VanDerWaalsContact C-N 3.34Å; W118-I120 PolarHBondContact O-N 3Å; W118-Q121 WeakPolarHBondContact O-CB 3.34Å; W118-Q121 PolarHBondContact O-N 3.06Å; W118-L122 HydrophobicContact CD2-CD1 4.1Å; W118-L122 HydrophobicContact CD2-CG 4.48Å; W118-L122 HydrophobicContact CE3-CD1 4.1Å; W118-L122 HydrophobicContact CH2-CD1 3.45Å; W118-L122 VanDerWaalsContact CH2-CD1 3.45Å; W118-L122 HydrophobicContact CZ2-CD1 3.44Å; W118-L122 VanDerWaalsContact CZ2-CD1 3.44Å; W118-L122 HydrophobicContact CZ2-CG 4.26Å; W118-L122 HydrophobicContact CZ3-CD1 3.78Å; W118-L122 WeakPolarHBondContact O-CG 3.42Å; W118-L122 PolarHBondContact O-N 3.47Å; W118-I130 WeakPolarHBondContact CH2-O 3.22Å; W118-F318 WeakPolarHBondContact CH2-O 3.4Å; W118-F318 WeakPolarHBondContact CZ2-O 3.48Å; W118-L320 HydrophobicContact CB-CD2 4.23Å; W118-L320 HydrophobicContact CD2-CB 3.79Å; W118-L320 HydrophobicContact CD2-CD2 3.8Å; W118-L320 HydrophobicContact CD2-CG 4.33Å; W118-L320 HydrophobicContact CE3-CB 3.71Å; W118-L320 HydrophobicContact CE3-CD2 3.6Å; W118-L320 HydrophobicContact CE3-CG 4.3Å; W118-L320 HydrophobicContact CG-CD2 4.08Å; W118-L320 HydrophobicContact CH2-CB 3.64Å; W118-L320 HydrophobicContact CZ2-CB 3.7Å; W118-L320 HydrophobicContact CZ3-CB 3.66Å; W118-L320 HydrophobicContact CZ3-CD2 4.26Å
119	M	93.5	Very high	89.2	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-66.7	-33.3	175.8	-69.2	-174.8	-71.2	0	0	113.2	G115 L116 Q121 L122 H123 L131 Q142 L146 L261	G115-M119 WeakPolarHBondContact O-CG 3.05Å; G115-M119 PolarHBondContact O-N 3.41Å; L116-M119 CarbonylContact O-C 3.49Å; L116-M119 PolarHBondContact O-N 3.15Å; L116-M119 VanDerWaalsContact O-N 3.08Å; M119-Q121 VanDerWaalsContact C-N 3.34Å; M119-L122 PolarHBondContact O-N 3.15Å; M119-H123 PolarHBondContact O-N 3.24Å; M119-L131 HydrophobicContact SD-CD2 4.43Å; M119-Q142 VanDerWaalsContact CE-C 3.48Å; M119-Q142 HydrophobicContact CE-CB 3.69Å; M119-Q142 WeakPolarHBondContact CE-O 3.36Å; M119-L146 HydrophobicContact CB-CD1 3.89Å; M119-L146 HydrophobicContact CB-CD2 3.94Å; M119-L146 HydrophobicContact CB-CG 4.36Å; M119-L146 HydrophobicContact CE-CB 4.29Å; M119-L146 HydrophobicContact CG-CD2 4.46Å; M119-L146 HydrophobicContact SD-CD2 4.01Å; M119-L261 HydrophobicContact SD-CD1 4.19Å; M119-L261 HydrophobicContact SD-CD2 3.72Å
120	I	91.8	Very high	89.3	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.8	-41.7	174	-71.2	169.7	0	0	0	110.6	I93 F96 L116 N117 W118 H123 H124 L146 Y149	I93-I120 HydrophobicContact CG2-CG2 4.46Å; F96-I120 HydrophobicContact CD2-CD1 3.7Å; F96-I120 HydrophobicContact CE2-CD1 3.64Å; L116-I120 HydrophobicContact CD1-CD1 4.06Å; L116-I120 HydrophobicContact CD1-CG1 4.21Å; L116-I120 HydrophobicContact CG-CD1 3.86Å; L116-I120 HydrophobicContact CG-CG1 4.43Å; L116-I120 WeakPolarHBondContact O-CG1 3.48Å; L116-I120 PolarHBondContact O-N 3.26Å; N117-I120 PolarHBondContact O-N 2.89Å; W118-I120 VanDerWaalsContact C-N 3.34Å; W118-I120 PolarHBondContact O-N 3Å; I120-H123 WeakPolarHBondContact O-CB 3.47Å; I120-H123 PolarHBondContact O-N 3Å; I120-H124 WeakPolarHBondContact O-CB 3.48Å; I120-H124 PolarHBondContact O-N 2.94Å; I120-L146 HydrophobicContact CG1-CD1 4.3Å; I120-Y149 HydrophobicContact CB-CE1 4.3Å; I120-Y149 HydrophobicContact CD1-CD1 4.23Å; I120-Y149 HydrophobicContact CD1-CD2 3.84Å; I120-Y149 HydrophobicContact CD1-CE1 4.4Å; I120-Y149 HydrophobicContact CD1-CE2 4.05Å; I120-Y149 HydrophobicContact CD1-CG 3.92Å; I120-Y149 HydrophobicContact CG1-CD1 3.75Å; I120-Y149 HydrophobicContact CG1-CD2 4.26Å; I120-Y149 HydrophobicContact CG1-CE1 3.81Å; I120-Y149 HydrophobicContact CG1-CE2 4.34Å; I120-Y149 HydrophobicContact CG1-CG 3.96Å; I120-Y149 HydrophobicContact CG2-CE1 3.84Å; I120-Y149 HydrophobicContact CG2-CE2 4.21Å; I120-Y149 WeakPolarHBondContact CG2-OH 3.31Å
121	Q	87.6	Confident	89.4	Confident	56 Å²	56	28.7 Å²	28.7	26%	0.262	14%	0.135	S	C	.	.	H	α-helix	trans	-63.1	-43.8	175	-73.3	175.5	-12.6	0	0	111.5	I93 N117 W118 M119 H123 H124 N125	I93-Q121 HydrophobicContact CG2-CG 4.38Å; N117-Q121 WeakPolarHBondContact O-CG 3.18Å; N117-Q121 PolarHBondContact O-N 3.26Å; W118-Q121 WeakPolarHBondContact O-CB 3.34Å; W118-Q121 PolarHBondContact O-N 3.06Å; M119-Q121 VanDerWaalsContact C-N 3.34Å; Q121-H123 VanDerWaalsContact C-N 3.33Å; Q121-H123 PolarHBondContact O-N 3.23Å; Q121-H124 PolarHBondContact O-N 3.41Å; Q121-N125 PolarHBondContact O-N 3.35Å; Q121-N125 VanDerWaalsContact O-N 3.16Å; Q121-N125 PolarHBondContact O-ND2 3.03Å
122	L	87.5	Confident	89.3	Confident	15 Å²	15	28.5 Å²	28.5	8%	0.079	14%	0.135	C	C	.	.	H	α-helix	trans	-58.7	-45.7	173.5	-68.1	-178.4	0	0	0	111.5	W118 M119 H124 N125 N126 I127	W118-L122 HydrophobicContact CD2-CD1 4.1Å; W118-L122 HydrophobicContact CD2-CG 4.48Å; W118-L122 HydrophobicContact CE3-CD1 4.1Å; W118-L122 HydrophobicContact CH2-CD1 3.45Å; W118-L122 VanDerWaalsContact CH2-CD1 3.45Å; W118-L122 HydrophobicContact CZ2-CD1 3.44Å; W118-L122 VanDerWaalsContact CZ2-CD1 3.44Å; W118-L122 HydrophobicContact CZ2-CG 4.26Å; W118-L122 HydrophobicContact CZ3-CD1 3.78Å; W118-L122 WeakPolarHBondContact O-CG 3.42Å; W118-L122 PolarHBondContact O-N 3.47Å; M119-L122 PolarHBondContact O-N 3.15Å; L122-H124 PolarHBondContact O-N 3.18Å; L122-N125 PolarHBondContact O-N 2.99Å; L122-N126 PolarHBondContact O-N 2.93Å; L122-I127 HydrophobicContact CD2-CB 4.05Å; L122-I127 HydrophobicContact CD2-CG2 3.76Å; L122-I127 PolarHBondContact O-N 2.9Å
123	H	87.8	Confident	89	Confident	11 Å²	11	28.2 Å²	28.2	5%	0.051	13%	0.134	C	C	.	.	H	α-helix	trans	-59.1	-48.8	177.6	-174.2	58.4	0	0	0	112	M119 I120 Q121 N125 N126 I150 Y232 N259	M119-H123 PolarHBondContact O-N 3.24Å; I120-H123 WeakPolarHBondContact O-CB 3.47Å; I120-H123 PolarHBondContact O-N 3Å; Q121-H123 VanDerWaalsContact C-N 3.33Å; Q121-H123 PolarHBondContact O-N 3.23Å; H123-N125 PolarHBondContact O-N 2.96Å; H123-N126 PolarHBondContact O-N 2.97Å; H123-I150 WeakPolarHBondContact CD2-CD1 3.3Å; H123-I150 VanDerWaalsContact NE2-CD1 3.26Å; H123-I150 WeakPolarHBondContact NE2-CD1 3.5Å; H123-Y232 WeakPolarHBondContact CB-OH 3.49Å; H123-Y232 AromaticContact CE1-CE2 3.92Å; H123-Y232 AromaticContact ND1-CE2 3.3Å; H123-Y232 VanDerWaalsContact ND1-CE2 3.3Å; H123-Y232 WeakPolarHBondContact ND1-CE2 3.48Å; H123-Y232 AromaticContact ND1-CZ 3.62Å; H123-Y232 PolarHBondContact ND1-OH 2.9Å; H123-N259 PolarHBondContact ND1-OD1 3.35Å
124	H	84.2	Confident	88.3	Confident	75 Å²	75	30.1 Å²	30.1	35%	0.347	14%	0.142	S	C	.	.	H	α-helix	trans	-59.3	-35.8	-177.6	-173.2	60.7	0	0	0	112.1	I120 Q121 L122 N126	I120-H124 WeakPolarHBondContact O-CB 3.48Å; I120-H124 PolarHBondContact O-N 2.94Å; Q121-H124 PolarHBondContact O-N 3.41Å; L122-H124 PolarHBondContact O-N 3.18Å; H124-N126 VanDerWaalsContact C-N 3.31Å
125	N	81.7	Confident	87.8	Confident	72 Å²	72	23.6 Å²	23.6	39%	0.385	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	4.4	178.7	-62.5	-21.8	0	0	0	113.4	Q121 L122 H123 I127	Q121-N125 PolarHBondContact O-N 3.35Å; Q121-N125 VanDerWaalsContact O-N 3.16Å; Q121-N125 PolarHBondContact O-ND2 3.03Å; L122-N125 PolarHBondContact O-N 2.99Å; H123-N125 PolarHBondContact O-N 2.96Å; N125-I127 HydrophobicContact CB-CD1 3.59Å; N125-I127 HydrophobicContact CB-CG1 3.74Å; N125-I127 WeakPolarHBondContact O-CG1 3.36Å; N125-I127 PolarHBondContact O-N 3.46Å
126	N	83	Confident	87	Confident	116 Å²	116	23.8 Å²	23.8	62%	0.62	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	36.3	-172.5	-66.2	-39.6	0	0	0	113.8	L122 H123 H124	L122-N126 PolarHBondContact O-N 2.93Å; H123-N126 PolarHBondContact O-N 2.97Å; H124-N126 VanDerWaalsContact C-N 3.31Å
127	I	83.1	Confident	86.5	Confident	22 Å²	22	23.9 Å²	23.9	11%	0.113	12%	0.121	C	C	.	.			trans	-102.6	146.2	-179.1	-59.6	175.9	0	0	0	109.8	Y33 L122 N125 N259 F318	Y33-I127 HydrophobicContact CD1-CD1 3.99Å; Y33-I127 HydrophobicContact CD2-CD1 4.12Å; Y33-I127 HydrophobicContact CE1-CD1 3.6Å; Y33-I127 HydrophobicContact CE2-CD1 3.77Å; Y33-I127 HydrophobicContact CG-CD1 4.26Å; Y33-I127 VanDerWaalsContact CZ-CD1 3.5Å; L122-I127 HydrophobicContact CD2-CB 4.05Å; L122-I127 HydrophobicContact CD2-CG2 3.76Å; L122-I127 PolarHBondContact O-N 2.9Å; N125-I127 HydrophobicContact CB-CD1 3.59Å; N125-I127 HydrophobicContact CB-CG1 3.74Å; N125-I127 WeakPolarHBondContact O-CG1 3.36Å; N125-I127 PolarHBondContact O-N 3.46Å; I127-N259 PolarHBondContact O-ND2 3.28Å; I127-F318 HydrophobicContact CD1-CE1 4.48Å; I127-F318 HydrophobicContact CG2-CD1 3.32Å; I127-F318 HydrophobicContact CG2-CE1 3.33Å
128	N	88.6	Confident	86.2	Confident	24 Å²	24	23.6 Å²	23.6	13%	0.128	12%	0.122	C	C	.	.			trans	-91.7	152.5	176.6	-63.7	-26.9	0	0	0	111	N259 R260 L282	N128-N259 VanDerWaalsContact OD1-CA 3.25Å; N128-N259 WeakPolarHBondContact OD1-CA 3.5Å; N128-R260 WeakPolarHBondContact CA-O 3.31Å; N128-R260 HydrophobicContact CB-CB 4.23Å; N128-R260 WeakPolarHBondContact CB-O 3.47Å; N128-R260 PolarHBondContact OD1-N 3.14Å; N128-L282 HydrophobicContact CB-CB 4.18Å; N128-L282 HydrophobicContact CB-CD2 3.66Å; N128-L282 PolarHBondContact ND2-O 3.36Å
129	G	88.9	Confident	86.1	Confident	2 Å²	2	23.3 Å²	23.3	2%	0.021	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	159.5	-172.2	0	0	0	0	0	114.5	R260 L261 L262 F318	G129-R260 PolarHBondContact N-O 3.31Å; G129-R260 VanDerWaalsContact N-O 3.14Å; G129-L261 WeakPolarHBondContact O-CA 3.4Å; G129-L262 PolarHBondContact O-N 3.35Å; G129-F318 CarbonylContact C-O 3.51Å; G129-F318 WeakPolarHBondContact CA-O 3.19Å
130	I	90	Very high	86	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	113.6	167.8	-50.4	-177.5	0	0	0	108.9	W118 A132 L262 T264 L282 L315 F318 L319 L320	W118-I130 WeakPolarHBondContact CH2-O 3.22Å; I130-A132 HydrophobicContact CG2-CB 4.25Å; I130-L262 CarbonylContact C-O 3.6Å; I130-L262 WeakPolarHBondContact CA-O 3.35Å; I130-L262 HydrophobicContact CB-CB 4.46Å; I130-L262 HydrophobicContact CD1-CD1 4.4Å; I130-L262 HydrophobicContact CG1-CB 4.19Å; I130-L262 HydrophobicContact CG1-CD1 4.32Å; I130-L262 HydrophobicContact CG2-CB 4.19Å; I130-T264 HydrophobicContact CG2-CG2 4.03Å; I130-L282 HydrophobicContact CD1-CD1 3.82Å; I130-L282 HydrophobicContact CG1-CD1 3.81Å; I130-L282 HydrophobicContact CG1-CD2 4.11Å; I130-L282 HydrophobicContact CG1-CG 4.4Å; I130-L315 HydrophobicContact CD1-CD2 4.29Å; I130-F318 PolarHBondContact N-O 3.31Å; I130-L319 HydrophobicContact CB-CD1 3.6Å; I130-L319 HydrophobicContact CD1-CD1 4.44Å; I130-L319 HydrophobicContact CG2-CD1 3.49Å; I130-L319 VanDerWaalsContact CG2-CD1 3.49Å; I130-L320 PolarHBondContact O-N 2.81Å
131	L	91.2	Very high	86.1	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	98	170.3	-174.6	63	0	0	0	109.4	M119 K139 Q142 L261 L262 I263 T264 L320	M119-L131 HydrophobicContact SD-CD2 4.43Å; L131-K139 HydrophobicContact CD2-CB 3.86Å; L131-K139 HydrophobicContact CD2-CD 4.46Å; L131-K139 HydrophobicContact CD2-CG 3.97Å; L131-K139 HydrophobicContact CG-CB 4.45Å; L131-K139 HydrophobicContact CG-CD 4.14Å; L131-K139 HydrophobicContact CG-CG 4.07Å; L131-Q142 HydrophobicContact CD2-CB 4.27Å; L131-L261 HydrophobicContact CB-CD1 4.39Å; L131-L262 PolarHBondContact N-O 3.48Å; L131-I263 WeakPolarHBondContact O-CA 3.45Å; L131-T264 PolarHBondContact O-N 3.49Å; L131-T264 VanDerWaalsContact O-N 3.08Å; L131-L320 HydrophobicContact CD1-CB 4.36Å; L131-L320 HydrophobicContact CD1-CD2 4.03Å; L131-L320 HydrophobicContact CD1-CG 4.39Å
132	A	87.4	Confident	86.4	Confident	2 Å²	2	21.3 Å²	21.3	2%	0.017	11%	0.112	C	C	.	.			trans	-109.2	23.3	-175.4	0	0	0	0	0	113.5	I130 T264 L319 L320 R321	I130-A132 HydrophobicContact CG2-CB 4.25Å; A132-T264 CarbonylContact C-O 3.56Å; A132-T264 VanDerWaalsContact CA-O 3.31Å; A132-T264 WeakPolarHBondContact CA-O 3.32Å; A132-T264 HydrophobicContact CB-CG2 3.77Å; A132-L319 HydrophobicContact CB-CD1 3.53Å; A132-L320 WeakPolarHBondContact CA-O 3.46Å; A132-L320 PolarHBondContact N-O 3.06Å; A132-R321 HydrophobicContact CB-CB 4.14Å; A132-R321 HydrophobicContact CB-CG 4.42Å; A132-R321 VanDerWaalsContact O-CG 3.32Å; A132-R321 WeakPolarHBondContact O-CG 3.11Å
133	D	86.4	Confident	86.8	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.108	C	C	.	.	P	Polyproline II helix	trans	-51.4	146.5	172	-75.9	-17.9	0	0	0	111.6	L137 K139 Q142 R322	D133-L137 HydrophobicContact CB-CB 4.05Å; D133-L137 HydrophobicContact CB-CD1 3.97Å; D133-K139 HydrophobicContact CB-CD 3.99Å; D133-K139 HydrophobicContact CB-CG 3.84Å; D133-K139 WeakPolarHBondContact O-CD 3.31Å; D133-K139 PolarHBondContact O-NZ 3.43Å; D133-Q142 PolarHBondContact OD2-NE2 3.04Å; D133-R322 WeakPolarHBondContact OD1-CB 3.35Å; D133-R322 IonicContact OD1-CZ 2.87Å; D133-R322 PolarHBondContact OD1-N 3.45Å; D133-R322 VanDerWaalsContact OD1-N 3.07Å; D133-R322 IonicContact OD1-NE 3.71Å; D133-R322 PolarHBondContact OD1-NE 2.92Å; D133-R322 IonicContact OD1-NH2 3.29Å; D133-R322 IonicContact OD2-CZ 3.33Å; D133-R322 IonicContact OD2-NE 3.36Å; D133-R322 PolarHBondContact OD2-NE 2.69Å; D133-R322 IonicContact OD2-NH2 3.83Å; D133-R322 PolarHBondContact OD2-NH2 3.39Å
134	E	79.2	Confident	87.2	Confident	49 Å²	49	20 Å²	20	23%	0.229	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-52.9	148.5	175.3	-165.6	-177	158.5	0	0	112.1	G136 L137 K139 R322 I323 K324	E134-G136 PolarHBondContact O-N 3.31Å; E134-G136 VanDerWaalsContact O-N 3.15Å; E134-L137 HydrophobicContact CB-CD1 4Å; E134-L137 HydrophobicContact CB-CG 4.49Å; E134-L137 PolarHBondContact O-N 3.31Å; E134-K139 PolarHBondContact O-NZ 2.92Å; E134-R322 PolarHBondContact N-O 2.65Å; E134-I323 WeakPolarHBondContact OE2-CA 3.35Å; E134-I323 WeakPolarHBondContact OE2-CG2 3.29Å; E134-K324 HydrophobicContact CB-CG 4.39Å; E134-K324 HydrophobicContact CG-CG 4.33Å; E134-K324 PolarHBondContact OE2-N 2.89Å
135	M	79.1	Confident	87.8	Confident	14 Å²	14	16.5 Å²	16.5	7%	0.069	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	119.8	-178.8	-70.7	-178.7	57.3	0	0	110.6	G265 K324 Q516 D519	M135-G265 VanDerWaalsContact CG-CA 3.48Å; M135-K324 WeakPolarHBondContact O-CE 3.07Å; M135-K324 PolarHBondContact O-NZ 3.03Å; M135-Q516 HydrophobicContact CE-CB 4.04Å; M135-Q516 HydrophobicContact CE-CG 3.61Å; M135-Q516 HydrophobicContact SD-CB 4.49Å; M135-Q516 HydrophobicContact SD-CG 3.48Å; M135-Q516 WeakPolarHBondContact SD-CG 3.48Å; M135-D519 HydrophobicContact CB-CB 4.45Å; M135-D519 WeakPolarHBondContact CB-OD2 3.4Å
136	G	76.9	Confident	88.4	Confident	3 Å²	3	13.1 Å²	13.1	3%	0.031	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	117.7	-16.9	-178	0	0	0	0	0	114.9	E134 G138 I524	E134-G136 PolarHBondContact O-N 3.31Å; E134-G136 VanDerWaalsContact O-N 3.15Å; G136-G138 PolarHBondContact O-N 3.39Å; G136-I524 WeakPolarHBondContact O-CD1 3.44Å; G136-I524 WeakPolarHBondContact O-CG1 3.45Å
137	L	83	Confident	89	Confident	2 Å²	2	7.6 Å²	7.6	1%	0.01	4%	0.042	C	C	.	.	S	Bend	trans	-77.1	18.9	-179.2	-68.2	178.6	0	0	0	115.3	Y111 Q112 D133 E134 Q142 R322 K324 V327 E328	Y111-L137 HydrophobicContact CE2-CB 4Å; Y111-L137 HydrophobicContact CE2-CD2 3.86Å; Y111-L137 HydrophobicContact CE2-CG 4.47Å; Y111-L137 WeakPolarHBondContact CE2-O 3.45Å; Q112-L137 PolarHBondContact NE2-O 3.12Å; D133-L137 HydrophobicContact CB-CB 4.05Å; D133-L137 HydrophobicContact CB-CD1 3.97Å; E134-L137 HydrophobicContact CB-CD1 4Å; E134-L137 HydrophobicContact CB-CG 4.49Å; E134-L137 PolarHBondContact O-N 3.31Å; L137-Q142 PolarHBondContact O-NE2 3.23Å; L137-R322 HydrophobicContact CD1-CB 4.32Å; L137-R322 VanDerWaalsContact CD1-O 3.28Å; L137-R322 WeakPolarHBondContact CD1-O 3.42Å; L137-K324 HydrophobicContact CD2-CG 3.93Å; L137-K324 HydrophobicContact CG-CG 4.09Å; L137-V327 HydrophobicContact CD1-CG2 3.91Å; L137-V327 HydrophobicContact CD2-CG2 3.55Å; L137-V327 HydrophobicContact CG-CG2 4.39Å; L137-E328 HydrophobicContact CD2-CB 4.17Å
138	G	87.1	Confident	89.6	Confident	10 Å²	10	6.5 Å²	6.5	10%	0.103	4%	0.037	C	C	.	.			trans	67.3	37	176	0	0	0	0	0	114.8	G136 T140 L141 Q142	G136-G138 PolarHBondContact O-N 3.39Å; G138-T140 VanDerWaalsContact C-N 3.26Å; G138-T140 PolarHBondContact O-N 3.07Å; G138-L141 PolarHBondContact O-N 2.83Å; G138-L141 VanDerWaalsContact O-N 3.15Å; G138-Q142 WeakPolarHBondContact O-CG 3.26Å; G138-Q142 PolarHBondContact O-N 3.46Å
139	K	90.6	Very high	89.9	Confident	13 Å²	13	5.4 Å²	5.4	6%	0.057	3%	0.03	C	C	.	.	H	α-helix	trans	-51.8	-45.3	175	-66	-168.8	-68.1	-84.6	0	112.5	L131 D133 E134 L141 Q142 T143 I263 T264	L131-K139 HydrophobicContact CD2-CB 3.86Å; L131-K139 HydrophobicContact CD2-CD 4.46Å; L131-K139 HydrophobicContact CD2-CG 3.97Å; L131-K139 HydrophobicContact CG-CB 4.45Å; L131-K139 HydrophobicContact CG-CD 4.14Å; L131-K139 HydrophobicContact CG-CG 4.07Å; D133-K139 HydrophobicContact CB-CD 3.99Å; D133-K139 HydrophobicContact CB-CG 3.84Å; D133-K139 WeakPolarHBondContact O-CD 3.31Å; D133-K139 PolarHBondContact O-NZ 3.43Å; E134-K139 PolarHBondContact O-NZ 2.92Å; K139-L141 PolarHBondContact O-N 3.38Å; K139-Q142 PolarHBondContact O-N 3.08Å; K139-T143 PolarHBondContact O-N 2.57Å; K139-T143 PolarHBondContact O-OG1 2.82Å; K139-T143 VanDerWaalsContact O-OG1 3.07Å; K139-I263 HydrophobicContact CB-CG2 3.78Å; K139-I263 HydrophobicContact CD-CG2 3.65Å; K139-I263 HydrophobicContact CG-CG2 4.33Å; K139-T264 WeakPolarHBondContact CE-O 3.28Å
140	T	91.9	Very high	90.1	Very high	9 Å²	9	5.3 Å²	5.3	6%	0.055	3%	0.029	C	C	.	.	H	α-helix	trans	-54.9	-51.1	175.7	-50.3	0	0	0	0	111.8	G138 Q142 T143 I144 W172 E175	G138-T140 VanDerWaalsContact C-N 3.26Å; G138-T140 PolarHBondContact O-N 3.07Å; T140-Q142 PolarHBondContact O-N 3.07Å; T140-T143 PolarHBondContact O-N 3.17Å; T140-I144 HydrophobicContact CG2-CD1 3.78Å; T140-I144 HydrophobicContact CG2-CG1 4.47Å; T140-I144 VanDerWaalsContact O-CG1 3.25Å; T140-I144 WeakPolarHBondContact O-CG1 3.31Å; T140-I144 PolarHBondContact O-N 3.03Å; T140-W172 HydrophobicContact CG2-CD2 3.74Å; T140-W172 HydrophobicContact CG2-CE3 3.8Å; T140-W172 HydrophobicContact CG2-CG 4.34Å; T140-W172 HydrophobicContact CG2-CH2 4.12Å; T140-W172 HydrophobicContact CG2-CZ2 4.05Å; T140-W172 HydrophobicContact CG2-CZ3 3.99Å; T140-E175 HydrophobicContact CG2-CB 4.01Å; T140-E175 HydrophobicContact CG2-CG 4.13Å
141	L	93.1	Very high	90.3	Very high	7 Å²	7	6.3 Å²	6.3	4%	0.037	3%	0.034	C	C	.	.	H	α-helix	trans	-58.9	-48.8	176.3	171.7	55.6	0	0	0	111.7	V103 M108 G138 K139 T143 I144 S145 W179	V103-L141 HydrophobicContact CG1-CD1 4.37Å; M108-L141 HydrophobicContact CE-CG 4.35Å; M108-L141 HydrophobicContact CG-CD2 4.16Å; M108-L141 HydrophobicContact CG-CG 4.4Å; G138-L141 PolarHBondContact O-N 2.83Å; G138-L141 VanDerWaalsContact O-N 3.15Å; K139-L141 PolarHBondContact O-N 3.38Å; L141-T143 VanDerWaalsContact C-N 3.26Å; L141-T143 PolarHBondContact O-N 3.38Å; L141-I144 PolarHBondContact O-N 2.87Å; L141-S145 WeakPolarHBondContact O-CB 3.21Å; L141-S145 PolarHBondContact O-N 2.89Å; L141-S145 PolarHBondContact O-OG 3.13Å; L141-W179 HydrophobicContact CD1-CB 3.83Å; L141-W179 HydrophobicContact CD1-CD2 3.5Å; L141-W179 VanDerWaalsContact CD1-CD2 3.5Å; L141-W179 HydrophobicContact CD1-CE3 3.76Å; L141-W179 HydrophobicContact CD1-CG 3.51Å; L141-W179 HydrophobicContact CD1-CZ3 4.45Å; L141-W179 HydrophobicContact CD2-CD2 4.24Å; L141-W179 HydrophobicContact CD2-CE3 4.27Å; L141-W179 HydrophobicContact CD2-CH2 4.07Å; L141-W179 HydrophobicContact CD2-CZ2 4.04Å; L141-W179 HydrophobicContact CD2-CZ3 4.15Å; L141-W179 HydrophobicContact CG-CD2 4.42Å
142	Q	94.6	Very high	90.4	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-56.1	-43.6	178.5	-66.7	178.9	71.2	0	0	111.3	M108 Q112 M119 L131 D133 L137 G138 K139 T140 S145 L146	M108-Q142 HydrophobicContact CE-CG 4.46Å; Q112-Q142 HydrophobicContact CB-CG 3.82Å; Q112-Q142 HydrophobicContact CG-CG 4.08Å; M119-Q142 VanDerWaalsContact CE-C 3.48Å; M119-Q142 HydrophobicContact CE-CB 3.69Å; M119-Q142 WeakPolarHBondContact CE-O 3.36Å; L131-Q142 HydrophobicContact CD2-CB 4.27Å; D133-Q142 PolarHBondContact OD2-NE2 3.04Å; L137-Q142 PolarHBondContact O-NE2 3.23Å; G138-Q142 WeakPolarHBondContact O-CG 3.26Å; G138-Q142 PolarHBondContact O-N 3.46Å; K139-Q142 PolarHBondContact O-N 3.08Å; T140-Q142 PolarHBondContact O-N 3.07Å; Q142-S145 PolarHBondContact O-N 3.47Å; Q142-L146 PolarHBondContact O-N 3.44Å
143	T	95.8	Very high	90.5	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-67.6	-42.6	177.5	-59	0	0	0	0	112.9	K139 T140 L141 S145 L146 L147 W172 I234 L261 I263	K139-T143 PolarHBondContact O-N 2.57Å; K139-T143 PolarHBondContact O-OG1 2.82Å; K139-T143 VanDerWaalsContact O-OG1 3.07Å; T140-T143 PolarHBondContact O-N 3.17Å; L141-T143 VanDerWaalsContact C-N 3.26Å; L141-T143 PolarHBondContact O-N 3.38Å; T143-S145 VanDerWaalsContact C-N 3.3Å; T143-S145 PolarHBondContact O-N 2.91Å; T143-L146 WeakPolarHBondContact O-CB 3.39Å; T143-L146 PolarHBondContact O-N 3.19Å; T143-L147 PolarHBondContact O-N 2.93Å; T143-L147 VanDerWaalsContact O-N 3.14Å; T143-W172 HydrophobicContact CG2-CH2 3.94Å; T143-W172 HydrophobicContact CG2-CZ3 4.18Å; T143-I234 HydrophobicContact CG2-CD1 3.51Å; T143-I234 HydrophobicContact CG2-CG1 4.08Å; T143-I234 HydrophobicContact CG2-CG2 3.91Å; T143-L261 HydrophobicContact CG2-CD2 3.89Å; T143-I263 HydrophobicContact CG2-CD1 4.02Å; T143-I263 WeakPolarHBondContact OG1-CD1 3.38Å
144	I	96.1	Very high	90.6	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-62.9	-40.9	176.2	-67.9	170	0	0	0	110.1	T140 L141 L146 L147 G148 W172 E175 F176 W179 V180	T140-I144 HydrophobicContact CG2-CD1 3.78Å; T140-I144 HydrophobicContact CG2-CG1 4.47Å; T140-I144 VanDerWaalsContact O-CG1 3.25Å; T140-I144 WeakPolarHBondContact O-CG1 3.31Å; T140-I144 PolarHBondContact O-N 3.03Å; L141-I144 PolarHBondContact O-N 2.87Å; I144-L146 VanDerWaalsContact C-N 3.3Å; I144-L146 PolarHBondContact O-N 2.99Å; I144-L147 PolarHBondContact O-N 3.49Å; I144-L147 VanDerWaalsContact O-N 3.17Å; I144-G148 PolarHBondContact O-N 3.08Å; I144-W172 HydrophobicContact CD1-CE3 4.44Å; I144-W172 HydrophobicContact CG1-CE3 4.36Å; I144-W172 HydrophobicContact CG1-CZ3 4.13Å; I144-E175 HydrophobicContact CD1-CB 3.57Å; I144-F176 HydrophobicContact CB-CD1 4.42Å; I144-F176 HydrophobicContact CB-CE1 4.27Å; I144-F176 HydrophobicContact CD1-CD1 4.2Å; I144-F176 HydrophobicContact CD1-CD2 4.4Å; I144-F176 HydrophobicContact CD1-CE1 4.42Å; I144-F176 HydrophobicContact CD1-CG 4.17Å; I144-F176 HydrophobicContact CG1-CD1 3.9Å; I144-F176 HydrophobicContact CG1-CE1 3.69Å; I144-F176 HydrophobicContact CG1-CE2 4.37Å; I144-F176 HydrophobicContact CG1-CG 4.31Å; I144-F176 HydrophobicContact CG1-CZ 3.92Å; I144-F176 HydrophobicContact CG2-CD1 3.78Å; I144-F176 HydrophobicContact CG2-CE1 4Å; I144-W179 HydrophobicContact CG2-CB 4.47Å; I144-V180 HydrophobicContact CG2-CB 3.87Å; I144-V180 HydrophobicContact CG2-CG2 3.64Å
145	S	95.5	Very high	91	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.4	-36	175.1	-61	0	0	0	0	112.3	Y102 M108 L141 Q142 T143 G148 Y149	Y102-S145 PolarHBondContact OH-O 3.21Å; M108-S145 PolarHBondContact SD-OG 2.85Å; L141-S145 WeakPolarHBondContact O-CB 3.21Å; L141-S145 PolarHBondContact O-N 2.89Å; L141-S145 PolarHBondContact O-OG 3.13Å; Q142-S145 PolarHBondContact O-N 3.47Å; T143-S145 VanDerWaalsContact C-N 3.3Å; T143-S145 PolarHBondContact O-N 2.91Å; S145-G148 PolarHBondContact O-N 2.86Å; S145-Y149 PolarHBondContact O-N 2.9Å
146	L	95.5	Very high	91.5	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-60.6	-47.6	172.3	175.4	68.1	0	0	0	110.9	L116 M119 I120 Q142 T143 I144 G148 Y149 I150 Y232 L261	L116-L146 HydrophobicContact CD1-CB 4.11Å; M119-L146 HydrophobicContact CB-CD1 3.89Å; M119-L146 HydrophobicContact CB-CD2 3.94Å; M119-L146 HydrophobicContact CB-CG 4.36Å; M119-L146 HydrophobicContact CE-CB 4.29Å; M119-L146 HydrophobicContact CG-CD2 4.46Å; M119-L146 HydrophobicContact SD-CD2 4.01Å; I120-L146 HydrophobicContact CG1-CD1 4.3Å; Q142-L146 PolarHBondContact O-N 3.44Å; T143-L146 WeakPolarHBondContact O-CB 3.39Å; T143-L146 PolarHBondContact O-N 3.19Å; I144-L146 VanDerWaalsContact C-N 3.3Å; I144-L146 PolarHBondContact O-N 2.99Å; L146-G148 VanDerWaalsContact C-N 3.28Å; L146-G148 PolarHBondContact O-N 2.78Å; L146-Y149 HydrophobicContact CD1-CD1 4.47Å; L146-Y149 WeakPolarHBondContact O-CB 3.44Å; L146-Y149 PolarHBondContact O-N 2.97Å; L146-Y149 VanDerWaalsContact O-N 3.15Å; L146-I150 WeakPolarHBondContact O-CG1 3.23Å; L146-I150 PolarHBondContact O-N 3.39Å; L146-Y232 HydrophobicContact CD2-CE1 3.91Å; L146-Y232 HydrophobicContact CD2-CE2 4.18Å; L146-Y232 HydrophobicContact CG-CE2 4.46Å; L146-L261 HydrophobicContact CD2-CD2 4.4Å
147	L	96.1	Very high	91.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.1	-36.9	177.3	-62	-177.8	0	0	0	111.9	T143 I144 I150 K151 H160 V162 F176 L183 V210 Y232 I234	T143-L147 PolarHBondContact O-N 2.93Å; T143-L147 VanDerWaalsContact O-N 3.14Å; I144-L147 PolarHBondContact O-N 3.49Å; I144-L147 VanDerWaalsContact O-N 3.17Å; L147-I150 PolarHBondContact O-N 3.16Å; L147-K151 PolarHBondContact O-N 3.34Å; L147-K151 VanDerWaalsContact O-N 3.08Å; L147-H160 HydrophobicContact CD1-CB 4.46Å; L147-H160 HydrophobicContact CD2-CB 4.1Å; L147-V162 HydrophobicContact CD1-CG2 4.43Å; L147-F176 HydrophobicContact CD1-CE1 3.88Å; L147-F176 HydrophobicContact CD1-CZ 3.84Å; L147-L183 HydrophobicContact CB-CD1 3.87Å; L147-V210 HydrophobicContact CD1-CG1 4.24Å; L147-V210 HydrophobicContact CD1-CG2 4.01Å; L147-Y232 HydrophobicContact CD2-CD2 4.35Å; L147-Y232 HydrophobicContact CD2-CG 4.35Å; L147-I234 HydrophobicContact CD1-CD1 3.82Å; L147-I234 HydrophobicContact CD2-CD1 3.85Å; L147-I234 HydrophobicContact CG-CD1 4.04Å
148	G	94.6	Very high	91.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60.2	-43.4	171.9	0	0	0	0	0	112.6	I144 S145 L146 I150 K151 H152	I144-G148 PolarHBondContact O-N 3.08Å; S145-G148 PolarHBondContact O-N 2.86Å; L146-G148 VanDerWaalsContact C-N 3.28Å; L146-G148 PolarHBondContact O-N 2.78Å; G148-I150 PolarHBondContact O-N 3.12Å; G148-K151 PolarHBondContact O-N 2.8Å; G148-H152 WeakPolarHBondContact O-CB 3.35Å; G148-H152 PolarHBondContact O-CD2 2.71Å; G148-H152 VanDerWaalsContact O-CD2 3.25Å; G148-H152 PolarHBondContact O-N 3.18Å
149	Y	94.5	Very high	92.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59.6	-44	173.5	165.6	-100.3	0	0	0	112	Q94 F96 Y102 I120 S145 L146 K151 C153 R154	Q94-Y149 HydrophobicContact CB-CE2 4.31Å; F96-Y149 AromaticContact CE2-CD2 3.74Å; F96-Y149 HydrophobicContact CE2-CD2 3.74Å; F96-Y149 HydrophobicContact CE2-CE2 4.36Å; F96-Y149 HydrophobicContact CZ-CD2 4.12Å; Y102-Y149 WeakPolarHBondContact OH-CA 3.26Å; Y102-Y149 WeakPolarHBondContact OH-CB 3.46Å; Y102-Y149 PolarHBondContact OH-N 2.91Å; I120-Y149 HydrophobicContact CB-CE1 4.3Å; I120-Y149 HydrophobicContact CD1-CD1 4.23Å; I120-Y149 HydrophobicContact CD1-CD2 3.84Å; I120-Y149 HydrophobicContact CD1-CE1 4.4Å; I120-Y149 HydrophobicContact CD1-CE2 4.05Å; I120-Y149 HydrophobicContact CD1-CG 3.92Å; I120-Y149 HydrophobicContact CG1-CD1 3.75Å; I120-Y149 HydrophobicContact CG1-CD2 4.26Å; I120-Y149 HydrophobicContact CG1-CE1 3.81Å; I120-Y149 HydrophobicContact CG1-CE2 4.34Å; I120-Y149 HydrophobicContact CG1-CG 3.96Å; I120-Y149 HydrophobicContact CG2-CE1 3.84Å; I120-Y149 HydrophobicContact CG2-CE2 4.21Å; I120-Y149 WeakPolarHBondContact CG2-OH 3.31Å; S145-Y149 PolarHBondContact O-N 2.9Å; L146-Y149 HydrophobicContact CD1-CD1 4.47Å; L146-Y149 WeakPolarHBondContact O-CB 3.44Å; L146-Y149 PolarHBondContact O-N 2.97Å; L146-Y149 VanDerWaalsContact O-N 3.15Å; Y149-K151 VanDerWaalsContact C-N 3.31Å; Y149-K151 PolarHBondContact O-N 2.83Å; Y149-C153 HydrophobicContact CD2-CB 3.4Å; Y149-C153 HydrophobicContact CE2-CB 3.53Å; Y149-C153 HydrophobicContact CG-CB 4.25Å; Y149-C153 WeakPolarHBondContact O-CA 3.48Å; Y149-C153 VanDerWaalsContact O-CB 3.25Å; Y149-C153 WeakPolarHBondContact O-CB 3.33Å; Y149-C153 PolarHBondContact O-N 2.86Å; Y149-R154 HydrophobicContact CE1-CG 3.91Å; Y149-R154 PolarHBondContact O-N 3Å; Y149-R154 PolarHBondContact OH-NE 3.39Å; Y149-R154 PolarHBondContact OH-NH2 3.1Å
150	I	93.4	Very high	92.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.9	-42.5	178.4	-58.6	-57.2	0	0	0	111.3	H123 L146 L147 G148 R154 H155 K156 I231 Y232	H123-I150 WeakPolarHBondContact CD2-CD1 3.3Å; H123-I150 VanDerWaalsContact NE2-CD1 3.26Å; H123-I150 WeakPolarHBondContact NE2-CD1 3.5Å; L146-I150 WeakPolarHBondContact O-CG1 3.23Å; L146-I150 PolarHBondContact O-N 3.39Å; L147-I150 PolarHBondContact O-N 3.16Å; G148-I150 PolarHBondContact O-N 3.12Å; I150-R154 CarbonylContact O-C 3.49Å; I150-R154 WeakPolarHBondContact O-CA 3.19Å; I150-R154 WeakPolarHBondContact O-CB 3.26Å; I150-R154 PolarHBondContact O-N 3.08Å; I150-H155 PolarHBondContact O-N 3.02Å; I150-K156 CarbonylContact C-O 3.58Å; I150-K156 HydrophobicContact CG2-CB 3.67Å; I150-K156 PolarHBondContact O-N 3.28Å; I150-I231 HydrophobicContact CG2-CG2 4.3Å; I150-Y232 HydrophobicContact CD1-CE2 4.12Å; I150-Y232 HydrophobicContact CG1-CD2 4.3Å; I150-Y232 HydrophobicContact CG1-CE2 4.1Å
151	K	93.8	Very high	92.7	Very high	22 Å²	22	27 Å²	27	10%	0.096	13%	0.133	C	C	.	.	H	α-helix	trans	-67.2	-53.3	177.6	178	167.8	179	160.7	0	112.9	L147 G148 Y149 H155 K156 H157 S182 L183 D209	L147-K151 PolarHBondContact O-N 3.34Å; L147-K151 VanDerWaalsContact O-N 3.08Å; G148-K151 PolarHBondContact O-N 2.8Å; Y149-K151 VanDerWaalsContact C-N 3.31Å; Y149-K151 PolarHBondContact O-N 2.83Å; K151-H155 VanDerWaalsContact O-CA 3.26Å; K151-H155 WeakPolarHBondContact O-CA 3.29Å; K151-H155 PolarHBondContact O-N 3.3Å; K151-K156 VanDerWaalsContact CA-O 3.31Å; K151-K156 WeakPolarHBondContact CA-O 3.13Å; K151-K156 PolarHBondContact N-O 3.22Å; K151-H157 WeakPolarHBondContact CE-ND1 3.5Å; K151-S182 PolarHBondContact NZ-O 3Å; K151-L183 HydrophobicContact CB-CD2 4.08Å; K151-L183 HydrophobicContact CD-CD2 3.66Å; K151-L183 HydrophobicContact CD-CG 4.41Å; K151-D209 IonicContact NZ-OD2 3.09Å; K151-D209 PolarHBondContact NZ-OD2 2.88Å
152	H	92.8	Very high	92.8	Very high	43 Å²	43	26.7 Å²	26.7	20%	0.199	13%	0.131	C	C	.	.	H	α-helix	trans	-88.7	-34.4	-167.5	-69.5	-68	0	0	0	114	W101 Y102 G148 S182	W101-H152 HydrophobicContact CH2-CB 4.16Å; W101-H152 AromaticContact CH2-CG 3.91Å; W101-H152 AromaticContact CH2-ND1 3.55Å; W101-H152 HydrophobicContact CZ2-CB 3.83Å; Y102-H152 VanDerWaalsContact CB-CD2 3.41Å; Y102-H152 WeakPolarHBondContact CB-CD2 3.45Å; Y102-H152 HydrophobicContact CD1-CB 3.85Å; Y102-H152 AromaticContact CD1-CD2 3.9Å; Y102-H152 HydrophobicContact CE1-CB 4.41Å; Y102-H152 HydrophobicContact CG-CB 4.44Å; Y102-H152 AromaticContact CG-CD2 3.58Å; G148-H152 WeakPolarHBondContact O-CB 3.35Å; G148-H152 PolarHBondContact O-CD2 2.71Å; G148-H152 VanDerWaalsContact O-CD2 3.25Å; G148-H152 PolarHBondContact O-N 3.18Å; H152-S182 PolarHBondContact NE2-OG 3.43Å
153	C	90.6	Very high	92.8	Very high	24 Å²	24	26.7 Å²	26.7	16%	0.162	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-25.4	-175.8	-58.5	0	0	0	0	112.8	Y149	Y149-C153 HydrophobicContact CD2-CB 3.4Å; Y149-C153 HydrophobicContact CE2-CB 3.53Å; Y149-C153 HydrophobicContact CG-CB 4.25Å; Y149-C153 WeakPolarHBondContact O-CA 3.48Å; Y149-C153 VanDerWaalsContact O-CB 3.25Å; Y149-C153 WeakPolarHBondContact O-CB 3.33Å; Y149-C153 PolarHBondContact O-N 2.86Å
154	R	89.1	Confident	92.6	Very high	68 Å²	68	26.7 Å²	26.7	26%	0.257	13%	0.131	S	C	.	.	S	Bend	trans	-107.1	1.8	175.4	-60.5	-63.3	-177.2	166.4	-1.9	113.4	Y149 I150 K156	Y149-R154 HydrophobicContact CE1-CG 3.91Å; Y149-R154 PolarHBondContact O-N 3Å; Y149-R154 PolarHBondContact OH-NE 3.39Å; Y149-R154 PolarHBondContact OH-NH2 3.1Å; I150-R154 CarbonylContact O-C 3.49Å; I150-R154 WeakPolarHBondContact O-CA 3.19Å; I150-R154 WeakPolarHBondContact O-CB 3.26Å; I150-R154 PolarHBondContact O-N 3.08Å; R154-K156 PolarHBondContact O-N 3.16Å; R154-K156 VanDerWaalsContact O-N 3.07Å
155	H	88	Confident	92.1	Very high	150 Å²	150	27.6 Å²	27.6	69%	0.694	14%	0.138	S	C	*	.			trans	52.1	29.3	179.6	-56.9	-67.3	0	0	0	113.9	I150 K151	I150-H155 PolarHBondContact O-N 3.02Å; K151-H155 VanDerWaalsContact O-CA 3.26Å; K151-H155 WeakPolarHBondContact O-CA 3.29Å; K151-H155 PolarHBondContact O-N 3.3Å
156	K	88.3	Confident	91.5	Very high	91 Å²	91	33.1 Å²	33.1	40%	0.396	16%	0.162	S	C	.	.			trans	-110	107.3	178.5	-74.4	-179	-175.9	-179.5	0	109.2	I150 K151 R154 G158 I231	I150-K156 CarbonylContact C-O 3.58Å; I150-K156 HydrophobicContact CG2-CB 3.67Å; I150-K156 PolarHBondContact O-N 3.28Å; K151-K156 VanDerWaalsContact CA-O 3.31Å; K151-K156 WeakPolarHBondContact CA-O 3.13Å; K151-K156 PolarHBondContact N-O 3.22Å; R154-K156 PolarHBondContact O-N 3.16Å; R154-K156 VanDerWaalsContact O-N 3.07Å; K156-G158 VanDerWaalsContact C-N 3.3Å; K156-G158 PolarHBondContact O-N 3.21Å; K156-I231 HydrophobicContact CB-CD1 3.79Å; K156-I231 HydrophobicContact CD-CD1 4.16Å; K156-I231 HydrophobicContact CG-CD1 4.39Å
157	H	84	Confident	90.5	Very high	101 Å²	101	33.7 Å²	33.7	47%	0.468	17%	0.165	S	C	.	.			trans	-77.9	-10.4	-173.4	-73.4	-105.9	0	0	0	114.7	K151 D209	K151-H157 WeakPolarHBondContact CE-ND1 3.5Å; H157-D209 VanDerWaalsContact O-CA 3.29Å; H157-D209 WeakPolarHBondContact O-CA 3.46Å; H157-D209 WeakPolarHBondContact O-CB 3.25Å
158	G	85.2	Confident	89.9	Confident	25 Å²	25	33.9 Å²	33.9	26%	0.258	17%	0.167	S	C	.	.			trans	134.1	-164.5	-175.7	0	0	0	0	0	111.9	K156 I231	K156-G158 VanDerWaalsContact C-N 3.3Å; K156-G158 PolarHBondContact O-N 3.21Å; G158-I231 WeakPolarHBondContact O-CD1 3.36Å
159	P	93.8	Very high	89.6	Confident	35 Å²	35	34 Å²	34	23%	0.227	17%	0.167	C	C	.	.			cis	-80.3	144.1	5.5	29.9	-32.4	0	0	0	112.9	W208 F228 H229 Y230 I231	P159-W208 HydrophobicContact CB-CH2 3.59Å; P159-W208 HydrophobicContact CB-CZ2 4.46Å; P159-W208 HydrophobicContact CB-CZ3 3.62Å; P159-F228 HydrophobicContact CG-CB 4.34Å; P159-H229 WeakPolarHBondContact CG-O 3.49Å; P159-Y230 HydrophobicContact CB-CD1 4.11Å; P159-Y230 HydrophobicContact CB-CE1 4.41Å; P159-Y230 HydrophobicContact CG-CD1 4.31Å; P159-Y230 CarbonylContact O-C 3.45Å; P159-Y230 VanDerWaalsContact O-CA 3.25Å; P159-Y230 WeakPolarHBondContact O-CA 3.3Å; P159-I231 PolarHBondContact O-N 3.03Å
160	H	96	Very high	89.1	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	146.6	171	-56	-74.3	0	0	0	110.6	L147 D209 V210 I211 Y232	L147-H160 HydrophobicContact CD1-CB 4.46Å; L147-H160 HydrophobicContact CD2-CB 4.1Å; H160-D209 PolarHBondContact CD2-O 2.73Å; H160-D209 PolarHBondContact N-O 2.82Å; H160-V210 HydrophobicContact CB-CB 4.49Å; H160-V210 HydrophobicContact CB-CG1 4.25Å; H160-V210 HydrophobicContact CB-CG2 4.19Å; H160-V210 CarbonylContact O-C 3.39Å; H160-V210 WeakPolarHBondContact O-CA 3.41Å; H160-I211 WeakPolarHBondContact O-CG2 3.35Å; H160-I211 PolarHBondContact O-N 3.21Å; H160-Y232 PolarHBondContact ND1-N 2.93Å
161	M	95.5	Very high	88.7	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	132.7	175.4	178.3	165.8	64.9	0	0	111.1	I163 I211 T213 Y230 Y232 L233 I234 F255	M161-I163 HydrophobicContact CE-CD1 4.16Å; M161-I163 HydrophobicContact CE-CG1 4.45Å; M161-I163 HydrophobicContact CG-CG1 4.11Å; M161-I163 HydrophobicContact SD-CG1 4.35Å; M161-I211 WeakPolarHBondContact CA-O 3.39Å; M161-I211 HydrophobicContact CB-CG2 3.83Å; M161-I211 HydrophobicContact CG-CG2 3.91Å; M161-T213 HydrophobicContact CG-CG2 4.46Å; M161-T213 HydrophobicContact SD-CG2 4.46Å; M161-Y230 HydrophobicContact CB-CD1 3.61Å; M161-Y230 HydrophobicContact CB-CD2 4.44Å; M161-Y230 HydrophobicContact CB-CE1 3.62Å; M161-Y230 HydrophobicContact CB-CE2 4.47Å; M161-Y230 HydrophobicContact CB-CG 4.04Å; M161-Y230 HydrophobicContact CE-CD2 4.06Å; M161-Y230 HydrophobicContact CE-CE2 3.78Å; M161-Y230 HydrophobicContact CG-CE1 4.49Å; M161-Y230 HydrophobicContact SD-CE1 4.37Å; M161-Y230 HydrophobicContact SD-CE2 4.11Å; M161-Y232 PolarHBondContact N-O 3.14Å; M161-L233 HydrophobicContact CE-CD1 3.38Å; M161-L233 HydrophobicContact CE-CG 3.7Å; M161-L233 WeakPolarHBondContact O-CA 3.22Å; M161-I234 PolarHBondContact O-N 3.29Å; M161-F255 HydrophobicContact CE-CB 4.14Å; M161-F255 HydrophobicContact CE-CD2 3.41Å; M161-F255 VanDerWaalsContact CE-CD2 3.41Å; M161-F255 HydrophobicContact CE-CE2 3.96Å; M161-F255 HydrophobicContact CE-CG 3.95Å; M161-F255 HydrophobicContact SD-CD2 4.48Å
162	V	96.1	Very high	88.7	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	114.7	174.5	-166.6	0	0	0	0	108.7	L147 V164 W172 F176 V210 I211 V212 T213 I234	L147-V162 HydrophobicContact CD1-CG2 4.43Å; V162-V164 HydrophobicContact CB-CG1 4.47Å; V162-V164 HydrophobicContact CG1-CG1 3.51Å; V162-W172 HydrophobicContact CG1-CD2 4.19Å; V162-W172 HydrophobicContact CG1-CE3 3.91Å; V162-W172 HydrophobicContact CG1-CH2 3.98Å; V162-W172 HydrophobicContact CG1-CZ2 4.26Å; V162-W172 HydrophobicContact CG1-CZ3 3.8Å; V162-F176 HydrophobicContact CG2-CE2 4.48Å; V162-F176 HydrophobicContact CG2-CZ 4.21Å; V162-V210 HydrophobicContact CG2-CG1 3.64Å; V162-I211 PolarHBondContact N-O 3.31Å; V162-V212 HydrophobicContact CB-CG1 4.49Å; V162-V212 HydrophobicContact CB-CG2 4.43Å; V162-V212 WeakPolarHBondContact O-CA 3.26Å; V162-T213 PolarHBondContact O-N 3.24Å; V162-I234 CarbonylContact C-O 3.51Å; V162-I234 WeakPolarHBondContact CA-O 3.47Å; V162-I234 HydrophobicContact CB-CB 4.5Å; V162-I234 HydrophobicContact CG1-CB 4.17Å; V162-I234 HydrophobicContact CG1-CG2 3.98Å; V162-I234 HydrophobicContact CG2-CB 4.29Å; V162-I234 HydrophobicContact CG2-CD1 4.02Å
163	I	94.1	Very high	88.6	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	120.9	176.3	-52.5	177.1	0	0	0	107.9	M161 T213 Y215 L233 I234 I235 D236 V252	M161-I163 HydrophobicContact CE-CD1 4.16Å; M161-I163 HydrophobicContact CE-CG1 4.45Å; M161-I163 HydrophobicContact CG-CG1 4.11Å; M161-I163 HydrophobicContact SD-CG1 4.35Å; I163-T213 WeakPolarHBondContact CA-O 3.39Å; I163-T213 HydrophobicContact CG1-CG2 4.26Å; I163-Y215 HydrophobicContact CG2-CD1 3.39Å; I163-Y215 HydrophobicContact CG2-CE1 3.62Å; I163-Y215 HydrophobicContact CG2-CG 3.94Å; I163-L233 HydrophobicContact CD1-CD2 4.39Å; I163-I234 PolarHBondContact N-O 2.98Å; I163-I235 HydrophobicContact CB-CG1 4.35Å; I163-I235 HydrophobicContact CD1-CD1 4.37Å; I163-I235 HydrophobicContact CD1-CG1 4.32Å; I163-I235 WeakPolarHBondContact O-CA 3.33Å; I163-D236 PolarHBondContact O-N 3.16Å; I163-V252 HydrophobicContact CD1-CG1 4.12Å; I163-V252 HydrophobicContact CD1-CG2 3.73Å
164	V	91.4	Very high	88.5	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	157.8	-173.5	-52.5	0	0	0	0	111	V162 K166 L169 W172 V212 T213 S214 D236	V162-V164 HydrophobicContact CB-CG1 4.47Å; V162-V164 HydrophobicContact CG1-CG1 3.51Å; V164-K166 PolarHBondContact O-N 3.38Å; V164-L169 HydrophobicContact CG2-CB 3.84Å; V164-L169 HydrophobicContact CG2-CG 4.29Å; V164-W172 HydrophobicContact CG1-CD2 4.08Å; V164-W172 HydrophobicContact CG1-CG 4Å; V164-W172 HydrophobicContact CG1-CZ2 4.46Å; V164-V212 HydrophobicContact CG1-CG1 4.32Å; V164-V212 HydrophobicContact CG2-CG1 3.9Å; V164-T213 PolarHBondContact N-O 3.25Å; V164-S214 VanDerWaalsContact O-CA 3.3Å; V164-S214 WeakPolarHBondContact O-CA 3.41Å; V164-D236 HydrophobicContact CB-CB 4.16Å; V164-D236 HydrophobicContact CG1-CB 3.78Å
165	P	85.3	Confident	88.6	Confident	20 Å²	20	36 Å²	36	13%	0.13	18%	0.184	C	C	.	.			trans	-54.5	140.6	167.1	-24.1	32.3	0	0	0	111.1	S167 T168 L169 Y215 E237	P165-S167 PolarHBondContact O-N 3.08Å; P165-T168 HydrophobicContact CB-CG2 4.31Å; P165-T168 WeakPolarHBondContact CD-OG1 3.25Å; P165-T168 HydrophobicContact CG-CG2 4.44Å; P165-T168 PolarHBondContact O-N 3.46Å; P165-T168 PolarHBondContact O-OG1 2.85Å; P165-L169 PolarHBondContact O-N 3.32Å; P165-Y215 HydrophobicContact CG-CE2 4.2Å; P165-E237 HydrophobicContact CG-CB 3.76Å; P165-E237 HydrophobicContact CG-CG 3.97Å
166	K	83	Confident	89	Confident	116 Å²	116	29 Å²	29	50%	0.504	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49	-32.4	-179.5	-174.1	179.8	178.6	-174.4	0	113.2	V164 I189	V164-K166 PolarHBondContact O-N 3.38Å; K166-I189 HydrophobicContact CD-CD1 4.33Å; K166-I189 HydrophobicContact CG-CD1 3.72Å
167	S	75.8	Confident	89.2	Confident	12 Å²	12	27.7 Å²	27.7	8%	0.084	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-23.3	-179.2	59.9	0	0	0	0	115.9	P165 L492	P165-S167 PolarHBondContact O-N 3.08Å; S167-L492 WeakPolarHBondContact OG-CB 3.44Å; S167-L492 WeakPolarHBondContact OG-CD2 3.39Å
168	T	82.6	Confident	89.6	Confident	4 Å²	4	29.3 Å²	29.3	3%	0.025	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-10.1	-176.7	65.6	0	0	0	0	112	P165 S170 N171 W172 G493	P165-T168 HydrophobicContact CB-CG2 4.31Å; P165-T168 WeakPolarHBondContact CD-OG1 3.25Å; P165-T168 HydrophobicContact CG-CG2 4.44Å; P165-T168 PolarHBondContact O-N 3.46Å; P165-T168 PolarHBondContact O-OG1 2.85Å; T168-S170 VanDerWaalsContact C-N 3.31Å; T168-S170 PolarHBondContact O-N 3.19Å; T168-N171 WeakPolarHBondContact O-CA 3.43Å; T168-N171 WeakPolarHBondContact O-CB 3.18Å; T168-N171 PolarHBondContact O-N 3.45Å; T168-N171 VanDerWaalsContact O-N 3.07Å; T168-W172 PolarHBondContact O-N 2.77Å; T168-G493 VanDerWaalsContact CG2-N 3.27Å
169	L	88.6	Confident	90	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.016	15%	0.152	C	C	.	.	H	α-helix	trans	-50.8	-48.9	-178.8	-171.2	150.9	0	0	0	112.4	V164 P165 N171 W172 M173 I189 V212	V164-L169 HydrophobicContact CG2-CB 3.84Å; V164-L169 HydrophobicContact CG2-CG 4.29Å; P165-L169 PolarHBondContact O-N 3.32Å; L169-N171 PolarHBondContact O-N 3.07Å; L169-W172 WeakPolarHBondContact O-CB 3.39Å; L169-W172 PolarHBondContact O-N 3.44Å; L169-W172 VanDerWaalsContact O-N 3.15Å; L169-M173 HydrophobicContact CD2-CG 4.07Å; L169-M173 WeakPolarHBondContact O-CG 3.35Å; L169-M173 PolarHBondContact O-N 2.79Å; L169-I189 HydrophobicContact CD1-CB 4.26Å; L169-I189 HydrophobicContact CD1-CD1 4.21Å; L169-I189 HydrophobicContact CD2-CG2 4.45Å; L169-V212 HydrophobicContact CD1-CG1 4.49Å; L169-V212 HydrophobicContact CG-CG1 3.97Å
170	S	84.3	Confident	90.1	Very high	22 Å²	22	27.7 Å²	27.7	15%	0.154	14%	0.142	C	C	.	.	H	α-helix	trans	-70.2	-34.4	-178.8	-60.4	0	0	0	0	112.9	T168 W172 M173 N174 H463	T168-S170 VanDerWaalsContact C-N 3.31Å; T168-S170 PolarHBondContact O-N 3.19Å; S170-W172 VanDerWaalsContact C-N 3.33Å; S170-W172 PolarHBondContact O-N 3.48Å; S170-M173 PolarHBondContact O-N 3.37Å; S170-N174 WeakPolarHBondContact O-CB 3.42Å; S170-N174 VanDerWaalsContact O-CG 3.24Å; S170-N174 PolarHBondContact O-N 3.15Å; S170-H463 PolarHBondContact OG-CE1 3.12Å; S170-H463 PolarHBondContact OG-NE2 3.42Å
171	N	85.1	Confident	89.9	Confident	31 Å²	31	31.3 Å²	31.3	17%	0.166	17%	0.165	C	C	.	.	H	α-helix	trans	-61.2	-43.2	169.9	-176.8	82.1	0	0	0	111	T168 L169 N174 E175	T168-N171 WeakPolarHBondContact O-CA 3.43Å; T168-N171 WeakPolarHBondContact O-CB 3.18Å; T168-N171 PolarHBondContact O-N 3.45Å; T168-N171 VanDerWaalsContact O-N 3.07Å; L169-N171 PolarHBondContact O-N 3.07Å; N171-N174 PolarHBondContact O-N 3.44Å; N171-E175 WeakPolarHBondContact O-CB 3.19Å; N171-E175 WeakPolarHBondContact O-CG 3.23Å; N171-E175 PolarHBondContact O-N 3.37Å
172	W	92.3	Very high	89.8	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.4	-45.6	174.4	-85.9	87.3	0	0	0	112.1	T140 T143 I144 V162 V164 T168 L169 S170 N174 E175 F176 V212 I234 D236 I263	T140-W172 HydrophobicContact CG2-CD2 3.74Å; T140-W172 HydrophobicContact CG2-CE3 3.8Å; T140-W172 HydrophobicContact CG2-CG 4.34Å; T140-W172 HydrophobicContact CG2-CH2 4.12Å; T140-W172 HydrophobicContact CG2-CZ2 4.05Å; T140-W172 HydrophobicContact CG2-CZ3 3.99Å; T143-W172 HydrophobicContact CG2-CH2 3.94Å; T143-W172 HydrophobicContact CG2-CZ3 4.18Å; I144-W172 HydrophobicContact CD1-CE3 4.44Å; I144-W172 HydrophobicContact CG1-CE3 4.36Å; I144-W172 HydrophobicContact CG1-CZ3 4.13Å; V162-W172 HydrophobicContact CG1-CD2 4.19Å; V162-W172 HydrophobicContact CG1-CE3 3.91Å; V162-W172 HydrophobicContact CG1-CH2 3.98Å; V162-W172 HydrophobicContact CG1-CZ2 4.26Å; V162-W172 HydrophobicContact CG1-CZ3 3.8Å; V164-W172 HydrophobicContact CG1-CD2 4.08Å; V164-W172 HydrophobicContact CG1-CG 4Å; V164-W172 HydrophobicContact CG1-CZ2 4.46Å; T168-W172 PolarHBondContact O-N 2.77Å; L169-W172 WeakPolarHBondContact O-CB 3.39Å; L169-W172 PolarHBondContact O-N 3.44Å; L169-W172 VanDerWaalsContact O-N 3.15Å; S170-W172 VanDerWaalsContact C-N 3.33Å; S170-W172 PolarHBondContact O-N 3.48Å; W172-N174 PolarHBondContact O-N 2.87Å; W172-E175 PolarHBondContact O-N 2.89Å; W172-F176 HydrophobicContact CE3-CD2 4.48Å; W172-F176 AromaticContact CE3-CE2 3.73Å; W172-F176 HydrophobicContact CE3-CE2 3.73Å; W172-F176 HydrophobicContact CE3-CZ 4.2Å; W172-F176 HydrophobicContact CZ3-CE2 4.36Å; W172-F176 HydrophobicContact CZ3-CZ 4.39Å; W172-F176 WeakPolarHBondContact O-CD2 3.29Å; W172-F176 PolarHBondContact O-N 2.82Å; W172-V212 HydrophobicContact CB-CG1 4.13Å; W172-I234 HydrophobicContact CH2-CG2 4.42Å; W172-D236 HydrophobicContact CZ2-CB 3.91Å; W172-D236 PolarHBondContact NE1-OD2 3.26Å; W172-I263 HydrophobicContact CH2-CD1 3.69Å; W172-I263 HydrophobicContact CZ2-CD1 3.87Å
173	M	91.5	Very high	89.7	Confident	36 Å²	36	33.7 Å²	33.7	18%	0.177	18%	0.181	C	C	.	.	H	α-helix	trans	-59.4	-45.4	176.7	-65.9	-60.4	-67.3	0	0	111.9	L169 S170 F176 A177 T185 V212	L169-M173 HydrophobicContact CD2-CG 4.07Å; L169-M173 WeakPolarHBondContact O-CG 3.35Å; L169-M173 PolarHBondContact O-N 2.79Å; S170-M173 PolarHBondContact O-N 3.37Å; M173-F176 PolarHBondContact O-N 3.23Å; M173-A177 PolarHBondContact O-N 2.83Å; M173-T185 WeakPolarHBondContact CE-OG1 3.31Å; M173-V212 HydrophobicContact SD-CB 3.99Å; M173-V212 HydrophobicContact SD-CG2 3.79Å
174	N	89.3	Confident	89.7	Confident	81 Å²	81	39.5 Å²	39.5	43%	0.433	20%	0.203	S	C	.	.	H	α-helix	trans	-64.3	-41.1	177.3	-69.8	-9.8	0	0	0	111.8	S170 N171 W172 A177 R178	S170-N174 WeakPolarHBondContact O-CB 3.42Å; S170-N174 VanDerWaalsContact O-CG 3.24Å; S170-N174 PolarHBondContact O-N 3.15Å; N171-N174 PolarHBondContact O-N 3.44Å; W172-N174 PolarHBondContact O-N 2.87Å; N174-A177 PolarHBondContact O-N 2.85Å; N174-R178 WeakPolarHBondContact O-CB 3.11Å; N174-R178 PolarHBondContact O-N 2.91Å
175	E	91.4	Very high	89.9	Confident	30 Å²	30	41.3 Å²	41.3	14%	0.14	21%	0.214	C	C	.	.	H	α-helix	trans	-67.2	-36.2	177.4	-68.7	-77.6	130.2	0	0	111.5	T140 I144 N171 W172 R178 W179	T140-E175 HydrophobicContact CG2-CB 4.01Å; T140-E175 HydrophobicContact CG2-CG 4.13Å; I144-E175 HydrophobicContact CD1-CB 3.57Å; N171-E175 WeakPolarHBondContact O-CB 3.19Å; N171-E175 WeakPolarHBondContact O-CG 3.23Å; N171-E175 PolarHBondContact O-N 3.37Å; W172-E175 PolarHBondContact O-N 2.89Å; E175-R178 PolarHBondContact O-N 3.4Å; E175-W179 WeakPolarHBondContact O-CB 3.48Å; E175-W179 PolarHBondContact O-N 3.04Å; E175-W179 PolarHBondContact OE2-NE1 3.48Å
176	F	95.2	Very high	90.3	Very high	1 Å²	1	40.5 Å²	40.5	0%	0.004	21%	0.209	C	C	.	.	H	α-helix	trans	-61.2	-51.7	171.1	-84.7	-68.9	0	0	0	111.3	I144 L147 V162 W172 M173 R178 V180 L183 T185 V210 V212	I144-F176 HydrophobicContact CB-CD1 4.42Å; I144-F176 HydrophobicContact CB-CE1 4.27Å; I144-F176 HydrophobicContact CD1-CD1 4.2Å; I144-F176 HydrophobicContact CD1-CD2 4.4Å; I144-F176 HydrophobicContact CD1-CE1 4.42Å; I144-F176 HydrophobicContact CD1-CG 4.17Å; I144-F176 HydrophobicContact CG1-CD1 3.9Å; I144-F176 HydrophobicContact CG1-CE1 3.69Å; I144-F176 HydrophobicContact CG1-CE2 4.37Å; I144-F176 HydrophobicContact CG1-CG 4.31Å; I144-F176 HydrophobicContact CG1-CZ 3.92Å; I144-F176 HydrophobicContact CG2-CD1 3.78Å; I144-F176 HydrophobicContact CG2-CE1 4Å; L147-F176 HydrophobicContact CD1-CE1 3.88Å; L147-F176 HydrophobicContact CD1-CZ 3.84Å; V162-F176 HydrophobicContact CG2-CE2 4.48Å; V162-F176 HydrophobicContact CG2-CZ 4.21Å; W172-F176 HydrophobicContact CE3-CD2 4.48Å; W172-F176 AromaticContact CE3-CE2 3.73Å; W172-F176 HydrophobicContact CE3-CE2 3.73Å; W172-F176 HydrophobicContact CE3-CZ 4.2Å; W172-F176 HydrophobicContact CZ3-CE2 4.36Å; W172-F176 HydrophobicContact CZ3-CZ 4.39Å; W172-F176 WeakPolarHBondContact O-CD2 3.29Å; W172-F176 PolarHBondContact O-N 2.82Å; M173-F176 PolarHBondContact O-N 3.23Å; F176-R178 VanDerWaalsContact C-N 3.27Å; F176-R178 PolarHBondContact O-N 3.01Å; F176-V180 CarbonylContact O-C 3.58Å; F176-V180 PolarHBondContact O-N 3.4Å; F176-L183 HydrophobicContact CD1-CB 4.45Å; F176-L183 HydrophobicContact CD1-CD1 4.07Å; F176-L183 HydrophobicContact CE1-CD1 4Å; F176-T185 HydrophobicContact CB-CG2 3.68Å; F176-T185 HydrophobicContact CD1-CG2 3.7Å; F176-T185 HydrophobicContact CD2-CG2 3.78Å; F176-T185 HydrophobicContact CE1-CG2 4.25Å; F176-T185 HydrophobicContact CE2-CG2 4.33Å; F176-T185 HydrophobicContact CG-CG2 3.46Å; F176-T185 VanDerWaalsContact CG-CG2 3.46Å; F176-V210 HydrophobicContact CE1-CG1 4.39Å; F176-V210 HydrophobicContact CE1-CG2 4.12Å; F176-V210 HydrophobicContact CE2-CG1 4.25Å; F176-V210 HydrophobicContact CZ-CB 4.4Å; F176-V210 HydrophobicContact CZ-CG1 3.79Å; F176-V210 HydrophobicContact CZ-CG2 4.35Å; F176-V212 HydrophobicContact CD2-CG2 4.16Å; F176-V212 HydrophobicContact CE2-CG2 3.73Å
177	A	93.6	Very high	90.7	Very high	64 Å²	64	36.2 Å²	36.2	53%	0.529	19%	0.193	S	C	.	.	H	α-helix	trans	-61	-36.9	179.4	0	0	0	0	0	112.3	M173 N174 P181	M173-A177 PolarHBondContact O-N 2.83Å; N174-A177 PolarHBondContact O-N 2.85Å; A177-P181 WeakPolarHBondContact O-CB 3.47Å
178	R	91.3	Very high	91.4	Very high	135 Å²	135	35.6 Å²	35.6	51%	0.509	19%	0.189	S	C	.	.	H	α-helix	trans	-73.7	-51.9	179.8	179.5	-179.4	179.3	171.8	5.6	112.8	G105 N174 E175 F176	G105-R178 VanDerWaalsContact CA-O 3.25Å; G105-R178 WeakPolarHBondContact CA-O 3.42Å; G105-R178 PolarHBondContact N-O 3.34Å; N174-R178 WeakPolarHBondContact O-CB 3.11Å; N174-R178 PolarHBondContact O-N 2.91Å; E175-R178 PolarHBondContact O-N 3.4Å; F176-R178 VanDerWaalsContact C-N 3.27Å; F176-R178 PolarHBondContact O-N 3.01Å
179	W	93.6	Very high	91.6	Very high	27 Å²	27	37.1 Å²	37.1	10%	0.102	20%	0.197	C	C	.	.	H	α-helix	trans	-90.3	-42.8	-167.2	-66.1	110.9	0	0	0	112.6	V103 K104 G105 G106 L141 I144 E175	V103-W179 CarbonylContact C-O 3.6Å; V103-W179 VanDerWaalsContact CA-O 3.27Å; V103-W179 WeakPolarHBondContact CA-O 3.26Å; V103-W179 HydrophobicContact CG1-CE3 3.72Å; V103-W179 HydrophobicContact CG1-CZ3 4.37Å; K104-W179 PolarHBondContact N-O 3.25Å; G105-W179 WeakPolarHBondContact O-CH2 3.3Å; G105-W179 VanDerWaalsContact O-CZ3 3.3Å; G105-W179 WeakPolarHBondContact O-CZ3 3.39Å; G106-W179 VanDerWaalsContact N-CZ3 3.35Å; L141-W179 HydrophobicContact CD1-CB 3.83Å; L141-W179 HydrophobicContact CD1-CD2 3.5Å; L141-W179 VanDerWaalsContact CD1-CD2 3.5Å; L141-W179 HydrophobicContact CD1-CE3 3.76Å; L141-W179 HydrophobicContact CD1-CG 3.51Å; L141-W179 HydrophobicContact CD1-CZ3 4.45Å; L141-W179 HydrophobicContact CD2-CD2 4.24Å; L141-W179 HydrophobicContact CD2-CE3 4.27Å; L141-W179 HydrophobicContact CD2-CH2 4.07Å; L141-W179 HydrophobicContact CD2-CZ2 4.04Å; L141-W179 HydrophobicContact CD2-CZ3 4.15Å; L141-W179 HydrophobicContact CG-CD2 4.42Å; I144-W179 HydrophobicContact CG2-CB 4.47Å; E175-W179 WeakPolarHBondContact O-CB 3.48Å; E175-W179 PolarHBondContact O-N 3.04Å; E175-W179 PolarHBondContact OE2-NE1 3.48Å
180	V	95.1	Very high	91.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.209	C	C	.	.			trans	-135.6	68.9	-178.1	-171.7	0	0	0	0	109	Y102 V103 I144 F176 S182 L183	Y102-V180 HydrophobicContact CD2-CG1 4.31Å; Y102-V180 HydrophobicContact CD2-CG2 4.19Å; V103-V180 HydrophobicContact CG2-CG2 4.27Å; I144-V180 HydrophobicContact CG2-CB 3.87Å; I144-V180 HydrophobicContact CG2-CG2 3.64Å; F176-V180 CarbonylContact O-C 3.58Å; F176-V180 PolarHBondContact O-N 3.4Å; V180-S182 WeakPolarHBondContact CG1-OG 3.49Å; V180-S182 PolarHBondContact O-N 3.28Å; V180-L183 HydrophobicContact CB-CD1 4.04Å; V180-L183 HydrophobicContact CB-CG 4.49Å; V180-L183 HydrophobicContact CG1-CB 4.47Å; V180-L183 HydrophobicContact CG1-CD1 3.7Å; V180-L183 HydrophobicContact CG1-CG 3.79Å; V180-L183 PolarHBondContact O-N 3.47Å
181	P	93.8	Very high	91.4	Very high	75 Å²	75	40.8 Å²	40.8	49%	0.487	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-19.8	-177.3	22.6	-33.7	0	0	0	113.4	K104 A177 L183	K104-P181 HydrophobicContact CG-CG 4.39Å; A177-P181 WeakPolarHBondContact O-CB 3.47Å; P181-L183 PolarHBondContact O-N 2.92Å
182	S	93	Very high	91.5	Very high	44 Å²	44	45.4 Å²	45.4	31%	0.308	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-24.5	173.7	63.4	0	0	0	0	113.4	K151 H152 V180	K151-S182 PolarHBondContact NZ-O 3Å; H152-S182 PolarHBondContact NE2-OG 3.43Å; V180-S182 WeakPolarHBondContact CG1-OG 3.49Å; V180-S182 PolarHBondContact O-N 3.28Å
183	L	93.7	Very high	91.3	Very high	6 Å²	6	51.1 Å²	51.1	3%	0.031	27%	0.272	C	S	.	.	S	Bend	trans	-79.6	117.4	176.6	-73.9	167.6	0	0	0	110	L147 K151 F176 V180 P181 T185 D209 V210	L147-L183 HydrophobicContact CB-CD1 3.87Å; K151-L183 HydrophobicContact CB-CD2 4.08Å; K151-L183 HydrophobicContact CD-CD2 3.66Å; K151-L183 HydrophobicContact CD-CG 4.41Å; F176-L183 HydrophobicContact CD1-CB 4.45Å; F176-L183 HydrophobicContact CD1-CD1 4.07Å; F176-L183 HydrophobicContact CE1-CD1 4Å; V180-L183 HydrophobicContact CB-CD1 4.04Å; V180-L183 HydrophobicContact CB-CG 4.49Å; V180-L183 HydrophobicContact CG1-CB 4.47Å; V180-L183 HydrophobicContact CG1-CD1 3.7Å; V180-L183 HydrophobicContact CG1-CG 3.79Å; V180-L183 PolarHBondContact O-N 3.47Å; P181-L183 PolarHBondContact O-N 2.92Å; L183-T185 PolarHBondContact O-N 3.46Å; L183-D209 HydrophobicContact CD2-CB 4.09Å; L183-V210 HydrophobicContact CD2-CG2 4.31Å
184	R	94.3	Very high	91.2	Very high	122 Å²	122	53.9 Å²	53.9	46%	0.46	28%	0.284	S	S	.	.			trans	-75.5	114.5	175.1	-66	178.4	-62.7	173.7	5	109.4	E207 D209 V210	R184-E207 PolarHBondContact NE-O 3.23Å; R184-E207 PolarHBondContact NH1-O 3.41Å; R184-E207 VanDerWaalsContact NH1-O 3.1Å; R184-D209 IonicContact CZ-OD1 3.63Å; R184-D209 PolarHBondContact N-OD2 2.88Å; R184-D209 IonicContact NE-OD1 3.31Å; R184-D209 PolarHBondContact NE-OD1 3.04Å; R184-D209 IonicContact NH2-OD1 2.62Å; R184-D209 PolarHBondContact NH2-OD1 2.85Å; R184-D209 WeakPolarHBondContact O-CB 3.25Å; R184-D209 PolarHBondContact O-N 2.95Å; R184-V210 PolarHBondContact O-N 3.38Å; R184-V210 VanDerWaalsContact O-N 3.07Å
185	T	94.8	Very high	91.2	Very high	39 Å²	39	50.9 Å²	50.9	24%	0.239	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	139.6	-176.9	60.1	0	0	0	0	111.6	M173 F176 L183 V210	M173-T185 WeakPolarHBondContact CE-OG1 3.31Å; F176-T185 HydrophobicContact CB-CG2 3.68Å; F176-T185 HydrophobicContact CD1-CG2 3.7Å; F176-T185 HydrophobicContact CD2-CG2 3.78Å; F176-T185 HydrophobicContact CE1-CG2 4.25Å; F176-T185 HydrophobicContact CE2-CG2 4.33Å; F176-T185 HydrophobicContact CG-CG2 3.46Å; F176-T185 VanDerWaalsContact CG-CG2 3.46Å; L183-T185 PolarHBondContact O-N 3.46Å; T185-V210 CarbonylContact C-O 3.56Å; T185-V210 VanDerWaalsContact CA-O 3.3Å; T185-V210 WeakPolarHBondContact CA-O 3.49Å; T185-V210 HydrophobicContact CG2-CB 3.97Å; T185-V210 HydrophobicContact CG2-CG2 4.35Å
186	V	93.5	Very high	91.1	Very high	3 Å²	3	52.9 Å²	52.9	2%	0.018	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	137.9	174.6	61.1	0	0	0	0	109.8	E202 I203 W208 V210 I211 V212	V186-E202 HydrophobicContact CG2-CB 4.21Å; V186-E202 VanDerWaalsContact CG2-OE2 3.23Å; V186-E202 WeakPolarHBondContact CG2-OE2 3.41Å; V186-I203 HydrophobicContact CG1-CG1 4.37Å; V186-I203 HydrophobicContact CG2-CG1 4.09Å; V186-W208 HydrophobicContact CB-CB 4.35Å; V186-W208 HydrophobicContact CG1-CB 3.94Å; V186-W208 HydrophobicContact CG1-CD2 3.84Å; V186-W208 HydrophobicContact CG1-CE3 4.19Å; V186-W208 HydrophobicContact CG1-CG 3.71Å; V186-V210 PolarHBondContact N-O 3.24Å; V186-I211 HydrophobicContact CG1-CB 3.88Å; V186-I211 HydrophobicContact CG1-CD1 4.31Å; V186-I211 HydrophobicContact CG1-CG1 3.94Å; V186-I211 WeakPolarHBondContact O-CA 3.21Å; V186-V212 PolarHBondContact O-N 3.33Å
187	S	91.9	Very high	90.8	Very high	25 Å²	25	58 Å²	58	18%	0.175	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	118.1	177.7	55	0	0	0	0	111.3	I189 K198 V212	S187-I189 PolarHBondContact O-N 3.4Å; S187-K198 VanDerWaalsContact O-CD 3.3Å; S187-K198 WeakPolarHBondContact O-CD 3.15Å; S187-K198 PolarHBondContact O-NZ 3.01Å; S187-K198 PolarHBondContact OG-NZ 2.83Å; S187-K198 VanDerWaalsContact OG-NZ 3.09Å; S187-V212 WeakPolarHBondContact CA-O 3.31Å
188	L	90.6	Very high	90.6	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	93.2	173.3	-177.7	61.4	0	0	0	110.3	R195 I199 I203 I211 V212 T213 M217 E221 L225	L188-R195 HydrophobicContact CD1-CB 4.37Å; L188-R195 HydrophobicContact CD1-CG 4.22Å; L188-I199 HydrophobicContact CD1-CD1 4.22Å; L188-I199 HydrophobicContact CD1-CG1 4Å; L188-I203 HydrophobicContact CB-CD1 4.21Å; L188-I203 HydrophobicContact CD1-CD1 3.85Å; L188-I203 HydrophobicContact CD2-CD1 4.27Å; L188-I203 HydrophobicContact CG-CD1 4.33Å; L188-I211 HydrophobicContact CB-CD1 4.07Å; L188-I211 HydrophobicContact CB-CG1 4.34Å; L188-I211 HydrophobicContact CD2-CD1 4.32Å; L188-V212 PolarHBondContact N-O 2.72Å; L188-T213 PolarHBondContact O-OG1 3.24Å; L188-M217 WeakPolarHBondContact O-CG 3.19Å; L188-E221 HydrophobicContact CD2-CB 4.13Å; L188-E221 HydrophobicContact CD2-CG 4.29Å; L188-L225 HydrophobicContact CD2-CD1 4.32Å; L188-L225 HydrophobicContact CD2-CD2 3.99Å; L188-L225 HydrophobicContact CD2-CG 4.34Å
189	I	86.6	Confident	90.6	Very high	35 Å²	35	51.2 Å²	51.2	18%	0.179	27%	0.265	C	S	.	.			trans	-154.6	156.1	177.5	-168.5	164.1	0	0	0	108.3	K166 L169 S187	K166-I189 HydrophobicContact CD-CD1 4.33Å; K166-I189 HydrophobicContact CG-CD1 3.72Å; L169-I189 HydrophobicContact CD1-CB 4.26Å; L169-I189 HydrophobicContact CD1-CD1 4.21Å; L169-I189 HydrophobicContact CD2-CG2 4.45Å; S187-I189 PolarHBondContact O-N 3.4Å
190	G	84.2	Confident	90.3	Very high	26 Å²	26	55.8 Å²	55.8	27%	0.268	29%	0.288	S	S	.	.	S	Bend	trans	135.3	-176.2	174.5	0	0	0	0	0	113.6	E194 R195	G190-E194 WeakPolarHBondContact CA-OE2 3.33Å; G190-R195 PolarHBondContact O-NH1 2.9Å
191	N	85.5	Confident	90	Very high	76 Å²	76	60.3 Å²	60.3	41%	0.406	31%	0.309	S	S	.	.	S	Bend	trans	-68.5	177	169.6	69.6	33.9	0	0	0	110.7	D193 E194 R195	N191-D193 VanDerWaalsContact C-N 3.32Å; N191-D193 PolarHBondContact O-N 2.8Å; N191-D193 PolarHBondContact OD1-N 3.31Å; N191-D193 VanDerWaalsContact OD1-N 3.13Å; N191-E194 VanDerWaalsContact CG-CD 3.41Å; N191-E194 PolarHBondContact N-OE2 2.97Å; N191-E194 PolarHBondContact ND2-OE1 3.31Å; N191-E194 WeakPolarHBondContact OD1-CB 3.48Å; N191-E194 VanDerWaalsContact OD1-CG 3.26Å; N191-E194 WeakPolarHBondContact OD1-CG 3.41Å; N191-E194 PolarHBondContact OD1-N 3.02Å; N191-R195 WeakPolarHBondContact O-CB 3.4Å; N191-R195 WeakPolarHBondContact O-CG 3.22Å; N191-R195 PolarHBondContact O-N 3.25Å; N191-R195 VanDerWaalsContact O-N 3.12Å; N191-R195 PolarHBondContact O-NH1 3.15Å; N191-R195 VanDerWaalsContact O-NH1 3.08Å
192	Q	86.7	Confident	89.7	Confident	128 Å²	128	60.9 Å²	60.9	60%	0.598	31%	0.305	S	S	*	.	H	α-helix	trans	-64.9	-37.5	-173.7	-175.4	165.3	3.2	0	0	113	R195 N196	Q192-R195 PolarHBondContact O-N 3.5Å; Q192-N196 WeakPolarHBondContact O-CB 3.44Å; Q192-N196 PolarHBondContact O-N 3.31Å; Q192-N196 PolarHBondContact O-ND2 3.4Å
193	D	88.6	Confident	89.6	Confident	121 Å²	121	58.8 Å²	58.8	65%	0.647	29%	0.29	S	S	*	.	H	α-helix	trans	-73.7	-46.5	-176	-58	-37.4	0	0	0	111.2	N191 R195 N196 Q197	N191-D193 VanDerWaalsContact C-N 3.32Å; N191-D193 PolarHBondContact O-N 2.8Å; N191-D193 PolarHBondContact OD1-N 3.31Å; N191-D193 VanDerWaalsContact OD1-N 3.13Å; D193-R195 VanDerWaalsContact C-N 3.27Å; D193-R195 PolarHBondContact O-N 2.8Å; D193-N196 PolarHBondContact O-N 2.87Å; D193-Q197 PolarHBondContact O-N 3.09Å
194	E	87.6	Confident	89.3	Confident	93 Å²	93	61.4 Å²	61.4	44%	0.435	30%	0.304	S	S	.	.	H	α-helix	trans	-56.6	-41.1	172.7	-71.2	162.6	-174.1	0	0	111.8	G190 N191 Q197 K198	G190-E194 WeakPolarHBondContact CA-OE2 3.33Å; N191-E194 VanDerWaalsContact CG-CD 3.41Å; N191-E194 PolarHBondContact N-OE2 2.97Å; N191-E194 PolarHBondContact ND2-OE1 3.31Å; N191-E194 WeakPolarHBondContact OD1-CB 3.48Å; N191-E194 VanDerWaalsContact OD1-CG 3.26Å; N191-E194 WeakPolarHBondContact OD1-CG 3.41Å; N191-E194 PolarHBondContact OD1-N 3.02Å; E194-Q197 PolarHBondContact O-N 3.26Å; E194-K198 WeakPolarHBondContact O-CB 3.35Å; E194-K198 PolarHBondContact O-N 3.4Å
195	R	89.8	Confident	88.9	Confident	19 Å²	19	61.5 Å²	61.5	7%	0.072	31%	0.308	C	S	.	.	H	α-helix	trans	-66.7	-46.1	177.3	-73.1	-171	-32.7	-88.3	-3.5	111.3	L188 G190 N191 Q192 D193 Q197 K198 I199 M217 E221	L188-R195 HydrophobicContact CD1-CB 4.37Å; L188-R195 HydrophobicContact CD1-CG 4.22Å; G190-R195 PolarHBondContact O-NH1 2.9Å; N191-R195 WeakPolarHBondContact O-CB 3.4Å; N191-R195 WeakPolarHBondContact O-CG 3.22Å; N191-R195 PolarHBondContact O-N 3.25Å; N191-R195 VanDerWaalsContact O-N 3.12Å; N191-R195 PolarHBondContact O-NH1 3.15Å; N191-R195 VanDerWaalsContact O-NH1 3.08Å; Q192-R195 PolarHBondContact O-N 3.5Å; D193-R195 VanDerWaalsContact C-N 3.27Å; D193-R195 PolarHBondContact O-N 2.8Å; R195-Q197 VanDerWaalsContact C-N 3.28Å; R195-Q197 PolarHBondContact O-N 3.04Å; R195-K198 PolarHBondContact O-N 3.3Å; R195-I199 VanDerWaalsContact O-CB 3.3Å; R195-I199 WeakPolarHBondContact O-CB 3.17Å; R195-I199 WeakPolarHBondContact O-CD1 3.49Å; R195-I199 WeakPolarHBondContact O-CG1 3.29Å; R195-I199 PolarHBondContact O-N 2.89Å; R195-M217 WeakPolarHBondContact CD-SD 3.45Å; R195-E221 IonicContact CZ-OE1 3.26Å; R195-E221 IonicContact NE-OE1 3.7Å; R195-E221 PolarHBondContact NE-OE1 3.39Å; R195-E221 IonicContact NH2-OE1 2.69Å; R195-E221 PolarHBondContact NH2-OE1 3.48Å
196	N	89.7	Confident	88.2	Confident	72 Å²	72	66.4 Å²	66.4	39%	0.385	33%	0.326	S	S	.	.	H	α-helix	trans	-59.2	-43.2	177.6	-74.9	-23.7	0	0	0	111	Q192 D193 I199 Q200	Q192-N196 WeakPolarHBondContact O-CB 3.44Å; Q192-N196 PolarHBondContact O-N 3.31Å; Q192-N196 PolarHBondContact O-ND2 3.4Å; D193-N196 PolarHBondContact O-N 2.87Å; N196-I199 PolarHBondContact O-N 2.91Å; N196-Q200 VanDerWaalsContact O-CG 3.31Å; N196-Q200 WeakPolarHBondContact O-CG 3.44Å; N196-Q200 PolarHBondContact O-N 2.98Å
197	Q	89.8	Confident	87.9	Confident	107 Å²	107	72.7 Å²	72.7	50%	0.5	36%	0.355	S	S	.	.	H	α-helix	trans	-60.4	-55.4	176.6	-170.9	178.5	18.1	0	0	111.3	D193 E194 R195 I199 Q200 E201	D193-Q197 PolarHBondContact O-N 3.09Å; E194-Q197 PolarHBondContact O-N 3.26Å; R195-Q197 VanDerWaalsContact C-N 3.28Å; R195-Q197 PolarHBondContact O-N 3.04Å; Q197-I199 VanDerWaalsContact C-N 3.25Å; Q197-I199 PolarHBondContact O-N 2.79Å; Q197-Q200 PolarHBondContact O-N 2.85Å; Q197-Q200 VanDerWaalsContact O-N 3.13Å; Q197-E201 HydrophobicContact CG-CG 4.16Å; Q197-E201 VanDerWaalsContact CG-OE1 3.28Å; Q197-E201 WeakPolarHBondContact CG-OE1 3.48Å; Q197-E201 PolarHBondContact NE2-OE1 2.9Å; Q197-E201 PolarHBondContact NE2-OE2 3.4Å; Q197-E201 WeakPolarHBondContact O-CB 3.32Å; Q197-E201 PolarHBondContact O-N 2.84Å
198	K	88.6	Confident	88	Confident	52 Å²	52	72.3 Å²	72.3	23%	0.226	35%	0.35	C	S	.	.	H	α-helix	trans	-57.5	-38	177.3	-79.4	-173.4	168.5	180	0	113.1	S187 E194 R195 E202 I203	S187-K198 VanDerWaalsContact O-CD 3.3Å; S187-K198 WeakPolarHBondContact O-CD 3.15Å; S187-K198 PolarHBondContact O-NZ 3.01Å; S187-K198 PolarHBondContact OG-NZ 2.83Å; S187-K198 VanDerWaalsContact OG-NZ 3.09Å; E194-K198 WeakPolarHBondContact O-CB 3.35Å; E194-K198 PolarHBondContact O-N 3.4Å; R195-K198 PolarHBondContact O-N 3.3Å; K198-E202 WeakPolarHBondContact O-CB 3.39Å; K198-E202 PolarHBondContact O-N 3.22Å; K198-I203 PolarHBondContact O-N 2.9Å
199	I	90.5	Very high	88.2	Confident	5 Å²	5	72.4 Å²	72.4	3%	0.026	35%	0.35	C	S	.	.	I	π-helix	trans	-62.2	-47.6	178.1	-74.5	163.8	0	0	0	110.7	L188 R195 N196 Q197 I203 L204 E221 V224	L188-I199 HydrophobicContact CD1-CD1 4.22Å; L188-I199 HydrophobicContact CD1-CG1 4Å; R195-I199 VanDerWaalsContact O-CB 3.3Å; R195-I199 WeakPolarHBondContact O-CB 3.17Å; R195-I199 WeakPolarHBondContact O-CD1 3.49Å; R195-I199 WeakPolarHBondContact O-CG1 3.29Å; R195-I199 PolarHBondContact O-N 2.89Å; N196-I199 PolarHBondContact O-N 2.91Å; Q197-I199 VanDerWaalsContact C-N 3.25Å; Q197-I199 PolarHBondContact O-N 2.79Å; I199-I203 HydrophobicContact CG1-CD1 3.97Å; I199-I203 PolarHBondContact O-N 3.25Å; I199-L204 HydrophobicContact CG2-CD1 3.96Å; I199-L204 HydrophobicContact CG2-CG 4.11Å; I199-L204 WeakPolarHBondContact O-CB 3.34Å; I199-L204 VanDerWaalsContact O-CG 3.28Å; I199-L204 WeakPolarHBondContact O-CG 3.31Å; I199-L204 PolarHBondContact O-N 3.35Å; I199-E221 HydrophobicContact CD1-CG 4.27Å; I199-V224 HydrophobicContact CD1-CG2 4.33Å; I199-V224 HydrophobicContact CG1-CG1 4.42Å; I199-V224 HydrophobicContact CG2-CG1 3.83Å; I199-V224 HydrophobicContact CG2-CG2 4.11Å
200	Q	88.9	Confident	88.7	Confident	124 Å²	124	70.7 Å²	70.7	58%	0.579	34%	0.341	S	S	*	.	I	π-helix	trans	-74.4	-44.9	-177.8	-64.9	-63.9	-19	0	0	112.4	N196 Q197	N196-Q200 VanDerWaalsContact O-CG 3.31Å; N196-Q200 WeakPolarHBondContact O-CG 3.44Å; N196-Q200 PolarHBondContact O-N 2.98Å; Q197-Q200 PolarHBondContact O-N 2.85Å; Q197-Q200 VanDerWaalsContact O-N 3.13Å
201	E	88.1	Confident	89.2	Confident	95 Å²	95	69.5 Å²	69.5	44%	0.444	33%	0.329	S	S	.	.	I	π-helix	trans	-83	-31.7	-170.2	-68.2	-179.2	-173.5	0	0	113.8	Q197 K205	Q197-E201 HydrophobicContact CG-CG 4.16Å; Q197-E201 VanDerWaalsContact CG-OE1 3.28Å; Q197-E201 WeakPolarHBondContact CG-OE1 3.48Å; Q197-E201 PolarHBondContact NE2-OE1 2.9Å; Q197-E201 PolarHBondContact NE2-OE2 3.4Å; Q197-E201 WeakPolarHBondContact O-CB 3.32Å; Q197-E201 PolarHBondContact O-N 2.84Å; E201-K205 WeakPolarHBondContact O-CD 3.35Å; E201-K205 WeakPolarHBondContact O-CE 3.41Å; E201-K205 WeakPolarHBondContact O-CG 3.45Å; E201-K205 PolarHBondContact O-NZ 3.25Å
202	E	88.4	Confident	89.7	Confident	86 Å²	86	65.9 Å²	65.9	40%	0.402	31%	0.309	S	S	.	.	I	π-helix	trans	-117.7	-52.6	-174.7	-61.7	178.9	-138.4	0	0	111.7	V186 K198	V186-E202 HydrophobicContact CG2-CB 4.21Å; V186-E202 VanDerWaalsContact CG2-OE2 3.23Å; V186-E202 WeakPolarHBondContact CG2-OE2 3.41Å; K198-E202 WeakPolarHBondContact O-CB 3.39Å; K198-E202 PolarHBondContact O-N 3.22Å
203	I	89	Confident	90	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	28%	0.281	C	S	.	.	I	π-helix	trans	-72.3	-47.6	-167.5	-60.9	172.3	0	0	0	111.8	V186 L188 K198 I199 K205 K206 W208 I211 V224 F228	V186-I203 HydrophobicContact CG1-CG1 4.37Å; V186-I203 HydrophobicContact CG2-CG1 4.09Å; L188-I203 HydrophobicContact CB-CD1 4.21Å; L188-I203 HydrophobicContact CD1-CD1 3.85Å; L188-I203 HydrophobicContact CD2-CD1 4.27Å; L188-I203 HydrophobicContact CG-CD1 4.33Å; K198-I203 PolarHBondContact O-N 2.9Å; I199-I203 HydrophobicContact CG1-CD1 3.97Å; I199-I203 PolarHBondContact O-N 3.25Å; I203-K205 VanDerWaalsContact C-N 3.3Å; I203-K205 PolarHBondContact O-N 3.49Å; I203-K206 PolarHBondContact O-N 3.39Å; I203-W208 HydrophobicContact CG2-CZ2 4.1Å; I203-W208 PolarHBondContact O-NE1 3.24Å; I203-I211 HydrophobicContact CD1-CD1 3.68Å; I203-I211 HydrophobicContact CG1-CD1 4.15Å; I203-I211 HydrophobicContact CG2-CD1 4.31Å; I203-V224 HydrophobicContact CG2-CG1 4.5Å; I203-F228 HydrophobicContact CG2-CE2 3.94Å; I203-F228 HydrophobicContact CG2-CZ 3.82Å
204	L	87.5	Confident	90.1	Very high	61 Å²	61	54 Å²	54	32%	0.319	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-23.3	-178.4	-72.4	174.7	0	0	0	113.1	I199 K206 F228	I199-L204 HydrophobicContact CG2-CD1 3.96Å; I199-L204 HydrophobicContact CG2-CG 4.11Å; I199-L204 WeakPolarHBondContact O-CB 3.34Å; I199-L204 VanDerWaalsContact O-CG 3.28Å; I199-L204 WeakPolarHBondContact O-CG 3.31Å; I199-L204 PolarHBondContact O-N 3.35Å; L204-K206 PolarHBondContact O-N 2.91Å; L204-F228 HydrophobicContact CD2-CZ 4.48Å
205	K	86.2	Confident	90.1	Very high	125 Å²	125	50.1 Å²	50.1	54%	0.543	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-16.1	172.9	-65.2	-166.6	-168.4	148.3	0	113.5	E201 I203 E207	E201-K205 WeakPolarHBondContact O-CD 3.35Å; E201-K205 WeakPolarHBondContact O-CE 3.41Å; E201-K205 WeakPolarHBondContact O-CG 3.45Å; E201-K205 PolarHBondContact O-NZ 3.25Å; I203-K205 VanDerWaalsContact C-N 3.3Å; I203-K205 PolarHBondContact O-N 3.49Å; K205-E207 HydrophobicContact CB-CG 4.33Å; K205-E207 PolarHBondContact O-N 2.97Å
206	K	81.3	Confident	90	Very high	142 Å²	142	53.2 Å²	53.2	62%	0.617	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	26.7	178.5	-63.9	179.4	-179.5	-179.4	0	114.4	I203 L204 W208 F228	I203-K206 PolarHBondContact O-N 3.39Å; L204-K206 PolarHBondContact O-N 2.91Å; K206-W208 PolarHBondContact O-N 2.96Å; K206-F228 HydrophobicContact CD-CE1 4.28Å; K206-F228 HydrophobicContact CG-CE1 3.84Å
207	E	87.5	Confident	90	Very high	134 Å²	134	50.6 Å²	50.6	63%	0.626	23%	0.232	S	C	*	.			trans	-91.2	31.4	177.2	-62.9	-173.6	160	0	0	113	R184 K205	R184-E207 PolarHBondContact NE-O 3.23Å; R184-E207 PolarHBondContact NH1-O 3.41Å; R184-E207 VanDerWaalsContact NH1-O 3.1Å; K205-E207 HydrophobicContact CB-CG 4.33Å; K205-E207 PolarHBondContact O-N 2.97Å
208	W	93.2	Very high	90	Very high	18 Å²	18	45.5 Å²	45.5	7%	0.068	21%	0.209	C	C	.	.			trans	-133.1	153.1	-178.4	54.4	-89.9	0	0	0	110.1	P159 V186 I203 K206 I211 F228 Y230	P159-W208 HydrophobicContact CB-CH2 3.59Å; P159-W208 HydrophobicContact CB-CZ2 4.46Å; P159-W208 HydrophobicContact CB-CZ3 3.62Å; V186-W208 HydrophobicContact CB-CB 4.35Å; V186-W208 HydrophobicContact CG1-CB 3.94Å; V186-W208 HydrophobicContact CG1-CD2 3.84Å; V186-W208 HydrophobicContact CG1-CE3 4.19Å; V186-W208 HydrophobicContact CG1-CG 3.71Å; I203-W208 HydrophobicContact CG2-CZ2 4.1Å; I203-W208 PolarHBondContact O-NE1 3.24Å; K206-W208 PolarHBondContact O-N 2.96Å; W208-I211 HydrophobicContact CE3-CB 4.1Å; W208-I211 HydrophobicContact CH2-CB 4.02Å; W208-I211 HydrophobicContact CH2-CG2 3.83Å; W208-I211 HydrophobicContact CZ3-CB 3.71Å; W208-I211 HydrophobicContact CZ3-CG2 3.72Å; W208-F228 HydrophobicContact CZ2-CD1 4.26Å; W208-F228 HydrophobicContact CZ2-CE1 4.06Å; W208-F228 HydrophobicContact CZ2-CE2 4.5Å; W208-F228 HydrophobicContact CZ2-CZ 4.19Å; W208-Y230 HydrophobicContact CH2-CE1 4.11Å
209	D	94.8	Very high	90	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	22%	0.216	C	C	.	.	S	Bend	trans	-99	-39.5	-178.7	-56.3	-21.4	0	0	0	110.3	K151 H157 H160 L183 R184	K151-D209 IonicContact NZ-OD2 3.09Å; K151-D209 PolarHBondContact NZ-OD2 2.88Å; H157-D209 VanDerWaalsContact O-CA 3.29Å; H157-D209 WeakPolarHBondContact O-CA 3.46Å; H157-D209 WeakPolarHBondContact O-CB 3.25Å; H160-D209 PolarHBondContact CD2-O 2.73Å; H160-D209 PolarHBondContact N-O 2.82Å; L183-D209 HydrophobicContact CD2-CB 4.09Å; R184-D209 IonicContact CZ-OD1 3.63Å; R184-D209 PolarHBondContact N-OD2 2.88Å; R184-D209 IonicContact NE-OD1 3.31Å; R184-D209 PolarHBondContact NE-OD1 3.04Å; R184-D209 IonicContact NH2-OD1 2.62Å; R184-D209 PolarHBondContact NH2-OD1 2.85Å; R184-D209 WeakPolarHBondContact O-CB 3.25Å; R184-D209 PolarHBondContact O-N 2.95Å
210	V	96.1	Very high	90	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	130.3	-177.4	-168.7	0	0	0	0	111.7	L147 H160 V162 F176 L183 R184 T185 V186 V212	L147-V210 HydrophobicContact CD1-CG1 4.24Å; L147-V210 HydrophobicContact CD1-CG2 4.01Å; H160-V210 HydrophobicContact CB-CB 4.49Å; H160-V210 HydrophobicContact CB-CG1 4.25Å; H160-V210 HydrophobicContact CB-CG2 4.19Å; H160-V210 CarbonylContact O-C 3.39Å; H160-V210 WeakPolarHBondContact O-CA 3.41Å; V162-V210 HydrophobicContact CG2-CG1 3.64Å; F176-V210 HydrophobicContact CE1-CG1 4.39Å; F176-V210 HydrophobicContact CE1-CG2 4.12Å; F176-V210 HydrophobicContact CE2-CG1 4.25Å; F176-V210 HydrophobicContact CZ-CB 4.4Å; F176-V210 HydrophobicContact CZ-CG1 3.79Å; F176-V210 HydrophobicContact CZ-CG2 4.35Å; L183-V210 HydrophobicContact CD2-CG2 4.31Å; R184-V210 PolarHBondContact O-N 3.38Å; R184-V210 VanDerWaalsContact O-N 3.07Å; T185-V210 CarbonylContact C-O 3.56Å; T185-V210 VanDerWaalsContact CA-O 3.3Å; T185-V210 WeakPolarHBondContact CA-O 3.49Å; T185-V210 HydrophobicContact CG2-CB 3.97Å; T185-V210 HydrophobicContact CG2-CG2 4.35Å; V186-V210 PolarHBondContact N-O 3.24Å; V210-V212 HydrophobicContact CG1-CG2 4.35Å
211	I	95.5	Very high	90.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	125.3	166.8	-173.7	160.9	0	0	0	110.2	H160 M161 V162 V186 L188 I203 W208 L225 Y230	H160-I211 WeakPolarHBondContact O-CG2 3.35Å; H160-I211 PolarHBondContact O-N 3.21Å; M161-I211 WeakPolarHBondContact CA-O 3.39Å; M161-I211 HydrophobicContact CB-CG2 3.83Å; M161-I211 HydrophobicContact CG-CG2 3.91Å; V162-I211 PolarHBondContact N-O 3.31Å; V186-I211 HydrophobicContact CG1-CB 3.88Å; V186-I211 HydrophobicContact CG1-CD1 4.31Å; V186-I211 HydrophobicContact CG1-CG1 3.94Å; V186-I211 WeakPolarHBondContact O-CA 3.21Å; L188-I211 HydrophobicContact CB-CD1 4.07Å; L188-I211 HydrophobicContact CB-CG1 4.34Å; L188-I211 HydrophobicContact CD2-CD1 4.32Å; I203-I211 HydrophobicContact CD1-CD1 3.68Å; I203-I211 HydrophobicContact CG1-CD1 4.15Å; I203-I211 HydrophobicContact CG2-CD1 4.31Å; W208-I211 HydrophobicContact CE3-CB 4.1Å; W208-I211 HydrophobicContact CH2-CB 4.02Å; W208-I211 HydrophobicContact CH2-CG2 3.83Å; W208-I211 HydrophobicContact CZ3-CB 3.71Å; W208-I211 HydrophobicContact CZ3-CG2 3.72Å; I211-L225 HydrophobicContact CD1-CD2 3.76Å; I211-Y230 HydrophobicContact CG2-CE1 4.05Å
212	V	95.5	Very high	90.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	123.5	173.9	-168.6	0	0	0	0	108.5	V162 V164 L169 W172 M173 F176 V186 S187 L188 V210	V162-V212 HydrophobicContact CB-CG1 4.49Å; V162-V212 HydrophobicContact CB-CG2 4.43Å; V162-V212 WeakPolarHBondContact O-CA 3.26Å; V164-V212 HydrophobicContact CG1-CG1 4.32Å; V164-V212 HydrophobicContact CG2-CG1 3.9Å; L169-V212 HydrophobicContact CD1-CG1 4.49Å; L169-V212 HydrophobicContact CG-CG1 3.97Å; W172-V212 HydrophobicContact CB-CG1 4.13Å; M173-V212 HydrophobicContact SD-CB 3.99Å; M173-V212 HydrophobicContact SD-CG2 3.79Å; F176-V212 HydrophobicContact CD2-CG2 4.16Å; F176-V212 HydrophobicContact CE2-CG2 3.73Å; V186-V212 PolarHBondContact O-N 3.33Å; S187-V212 WeakPolarHBondContact CA-O 3.31Å; L188-V212 PolarHBondContact N-O 2.72Å; V210-V212 HydrophobicContact CG1-CG2 4.35Å
213	T	93.9	Very high	90.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	164.9	-173	-170.7	0	0	0	0	111.4	M161 V162 I163 V164 L188 M217 C218	M161-T213 HydrophobicContact CG-CG2 4.46Å; M161-T213 HydrophobicContact SD-CG2 4.46Å; V162-T213 PolarHBondContact O-N 3.24Å; I163-T213 WeakPolarHBondContact CA-O 3.39Å; I163-T213 HydrophobicContact CG1-CG2 4.26Å; V164-T213 PolarHBondContact N-O 3.25Å; L188-T213 PolarHBondContact O-OG1 3.24Å; T213-M217 VanDerWaalsContact OG1-CB 3.31Å; T213-M217 WeakPolarHBondContact OG1-CB 3.3Å; T213-C218 VanDerWaalsContact CG2-SG 3.5Å
214	S	90.6	Very high	90.3	Very high	1 Å²	1	47 Å²	47	1%	0.007	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	158.4	175.6	93.9	0	0	0	0	112.8	V164 E216 M217 C218	V164-S214 VanDerWaalsContact O-CA 3.3Å; V164-S214 WeakPolarHBondContact O-CA 3.41Å; S214-E216 WeakPolarHBondContact CB-OE2 3.42Å; S214-E216 PolarHBondContact O-N 3.02Å; S214-E216 PolarHBondContact OG-N 3.12Å; S214-E216 PolarHBondContact OG-OE2 3.29Å; S214-M217 PolarHBondContact O-N 3.5Å; S214-M217 PolarHBondContact OG-N 3.44Å; S214-C218 PolarHBondContact O-N 3.43Å; S214-C218 PolarHBondContact O-SG 3.26Å
215	Y	87.9	Confident	90.5	Very high	10 Å²	10	44.1 Å²	44.1	4%	0.039	21%	0.21	C	C	.	.	H	α-helix	trans	-51.3	-41.7	174.1	-69.2	-68.9	0	0	0	113.4	I163 P165 C218 I219 I235 D236 E237 R240 L248	I163-Y215 HydrophobicContact CG2-CD1 3.39Å; I163-Y215 HydrophobicContact CG2-CE1 3.62Å; I163-Y215 HydrophobicContact CG2-CG 3.94Å; P165-Y215 HydrophobicContact CG-CE2 4.2Å; Y215-C218 PolarHBondContact O-N 2.91Å; Y215-I219 WeakPolarHBondContact O-CG1 3.48Å; Y215-I219 PolarHBondContact O-N 3.43Å; Y215-I235 HydrophobicContact CE1-CG2 3.71Å; Y215-I235 WeakPolarHBondContact OH-CG2 3.31Å; Y215-D236 PolarHBondContact OH-O 3.09Å; Y215-E237 PolarHBondContact OH-O 3.3Å; Y215-R240 HydrophobicContact CD2-CG 4.4Å; Y215-R240 HydrophobicContact CE1-CB 4.18Å; Y215-R240 HydrophobicContact CE2-CB 4.31Å; Y215-R240 HydrophobicContact CE2-CG 3.95Å; Y215-L248 HydrophobicContact CD1-CD1 3.59Å; Y215-L248 HydrophobicContact CD1-CD2 3.13Å; Y215-L248 HydrophobicContact CD1-CG 3.89Å; Y215-L248 HydrophobicContact CE1-CD2 3.52Å; Y215-L248 HydrophobicContact CE1-CG 4.47Å; Y215-L248 HydrophobicContact CG-CD1 4.31Å; Y215-L248 HydrophobicContact CG-CD2 3.93Å
216	E	87.2	Confident	90.8	Very high	85 Å²	85	42.6 Å²	42.6	40%	0.397	20%	0.204	S	C	.	.	H	α-helix	trans	-68.9	-35.7	178.7	-57.7	75	-163.4	0	0	111.8	S214 I219 K220	S214-E216 WeakPolarHBondContact CB-OE2 3.42Å; S214-E216 PolarHBondContact O-N 3.02Å; S214-E216 PolarHBondContact OG-N 3.12Å; S214-E216 PolarHBondContact OG-OE2 3.29Å; E216-I219 PolarHBondContact O-N 3.48Å; E216-K220 WeakPolarHBondContact O-CG 3.45Å; E216-K220 PolarHBondContact O-N 2.99Å; E216-K220 VanDerWaalsContact O-N 3.12Å
217	M	89.5	Confident	91.2	Very high	16 Å²	16	42.4 Å²	42.4	8%	0.079	20%	0.203	C	C	.	.	H	α-helix	trans	-73	-34.2	178.9	-66.4	-49.8	97.1	0	0	111.7	L188 R195 T213 S214 I219 K220 E221	L188-M217 WeakPolarHBondContact O-CG 3.19Å; R195-M217 WeakPolarHBondContact CD-SD 3.45Å; T213-M217 VanDerWaalsContact OG1-CB 3.31Å; T213-M217 WeakPolarHBondContact OG1-CB 3.3Å; S214-M217 PolarHBondContact O-N 3.5Å; S214-M217 PolarHBondContact OG-N 3.44Å; M217-I219 PolarHBondContact O-N 3.24Å; M217-K220 HydrophobicContact CE-CD 3.75Å; M217-K220 PolarHBondContact O-N 2.96Å; M217-K220 HydrophobicContact SD-CD 4.43Å; M217-E221 PolarHBondContact O-N 3.23Å
218	C	89.9	Confident	91.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-56	-36.2	169.8	-69.3	0	0	0	0	112.3	T213 S214 Y215 K222 F255	T213-C218 VanDerWaalsContact CG2-SG 3.5Å; S214-C218 PolarHBondContact O-N 3.43Å; S214-C218 PolarHBondContact O-SG 3.26Å; Y215-C218 PolarHBondContact O-N 2.91Å; C218-K222 WeakPolarHBondContact O-CA 3.47Å; C218-K222 PolarHBondContact O-N 3.39Å; C218-F255 HydrophobicContact CB-CE2 4.18Å; C218-F255 HydrophobicContact CB-CZ 4.4Å
219	I	89	Confident	91.3	Very high	76 Å²	76	41.1 Å²	41.1	39%	0.39	20%	0.197	S	C	.	.	H	α-helix	trans	-73.6	-45.5	178.6	-59.4	168	0	0	0	111.4	Y215 E216 M217 L248 I251	Y215-I219 WeakPolarHBondContact O-CG1 3.48Å; Y215-I219 PolarHBondContact O-N 3.43Å; E216-I219 PolarHBondContact O-N 3.48Å; M217-I219 PolarHBondContact O-N 3.24Å; I219-L248 HydrophobicContact CG1-CD1 4.42Å; I219-I251 HydrophobicContact CB-CD1 4.05Å; I219-I251 HydrophobicContact CG1-CD1 3.75Å; I219-I251 HydrophobicContact CG2-CD1 3.89Å
220	K	89.8	Confident	91.3	Very high	130 Å²	130	41.1 Å²	41.1	57%	0.565	20%	0.197	S	C	*	.	H	α-helix	trans	-70.8	-45.8	-177.6	-68.2	-175.3	-174.1	-175.7	0	112.6	E216 M217	E216-K220 WeakPolarHBondContact O-CG 3.45Å; E216-K220 PolarHBondContact O-N 2.99Å; E216-K220 VanDerWaalsContact O-N 3.12Å; M217-K220 HydrophobicContact CE-CD 3.75Å; M217-K220 PolarHBondContact O-N 2.96Å; M217-K220 HydrophobicContact SD-CD 4.43Å
221	E	91.2	Very high	91.2	Very high	22 Å²	22	41.5 Å²	41.5	10%	0.103	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	25.8	-171.4	-52.6	-56.9	159.6	0	0	112.8	L188 R195 I199 M217 S223 V224 L225	L188-E221 HydrophobicContact CD2-CB 4.13Å; L188-E221 HydrophobicContact CD2-CG 4.29Å; R195-E221 IonicContact CZ-OE1 3.26Å; R195-E221 IonicContact NE-OE1 3.7Å; R195-E221 PolarHBondContact NE-OE1 3.39Å; R195-E221 IonicContact NH2-OE1 2.69Å; R195-E221 PolarHBondContact NH2-OE1 3.48Å; I199-E221 HydrophobicContact CD1-CG 4.27Å; M217-E221 PolarHBondContact O-N 3.23Å; E221-S223 PolarHBondContact O-N 3Å; E221-S223 VanDerWaalsContact O-N 3.16Å; E221-V224 PolarHBondContact O-N 3.18Å; E221-V224 VanDerWaalsContact O-N 3.11Å; E221-L225 PolarHBondContact O-N 2.98Å; E221-L225 VanDerWaalsContact O-N 3.14Å
222	K	89.9	Confident	91.2	Very high	64 Å²	64	41.8 Å²	41.8	28%	0.278	20%	0.2	S	C	.	.	H	α-helix	trans	-49.6	-42.7	-178.7	-179.2	-176	-173	177.5	0	112.9	C218 V224 L225 K226 I251 D254 F255	C218-K222 WeakPolarHBondContact O-CA 3.47Å; C218-K222 PolarHBondContact O-N 3.39Å; K222-V224 VanDerWaalsContact C-N 3.28Å; K222-V224 PolarHBondContact O-N 3.49Å; K222-L225 PolarHBondContact O-N 3.44Å; K222-K226 VanDerWaalsContact O-CB 3.23Å; K222-K226 WeakPolarHBondContact O-CB 3.5Å; K222-K226 PolarHBondContact O-N 2.94Å; K222-I251 HydrophobicContact CB-CG2 4.4Å; K222-I251 HydrophobicContact CD-CG1 4.01Å; K222-I251 HydrophobicContact CD-CG2 4.07Å; K222-I251 HydrophobicContact CG-CG2 4Å; K222-D254 WeakPolarHBondContact CE-OD2 3.31Å; K222-D254 IonicContact NZ-OD2 2.87Å; K222-D254 PolarHBondContact NZ-OD2 2.96Å; K222-F255 HydrophobicContact CG-CE1 4.2Å
223	S	89.9	Confident	91.1	Very high	85 Å²	85	41.8 Å²	41.8	59%	0.594	20%	0.2	S	C	*	.	H	α-helix	trans	-64.3	-31.8	-175.4	56.1	0	0	0	0	113	E221 K227	E221-S223 PolarHBondContact O-N 3Å; E221-S223 VanDerWaalsContact O-N 3.16Å; S223-K227 WeakPolarHBondContact O-CG 3.49Å
224	V	90.3	Very high	91.2	Very high	17 Å²	17	41.8 Å²	41.8	10%	0.103	20%	0.2	C	C	.	.	H	α-helix	trans	-81.1	-50	177.1	178.2	0	0	0	0	109.7	I199 I203 E221 K222 K226 K227 F228	I199-V224 HydrophobicContact CD1-CG2 4.33Å; I199-V224 HydrophobicContact CG1-CG1 4.42Å; I199-V224 HydrophobicContact CG2-CG1 3.83Å; I199-V224 HydrophobicContact CG2-CG2 4.11Å; I203-V224 HydrophobicContact CG2-CG1 4.5Å; E221-V224 PolarHBondContact O-N 3.18Å; E221-V224 VanDerWaalsContact O-N 3.11Å; K222-V224 VanDerWaalsContact C-N 3.28Å; K222-V224 PolarHBondContact O-N 3.49Å; V224-K226 VanDerWaalsContact C-N 3.27Å; V224-K226 PolarHBondContact O-N 3.42Å; V224-K227 WeakPolarHBondContact O-CB 3.43Å; V224-K227 PolarHBondContact O-N 3.28Å; V224-K227 VanDerWaalsContact O-N 3.13Å; V224-F228 HydrophobicContact CG1-CE2 4.43Å; V224-F228 WeakPolarHBondContact O-CE2 3.38Å
225	L	91.9	Very high	91.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.2	-29.8	-176.1	-65.1	173.5	0	0	0	113.3	L188 I211 E221 K222 K227 Y230 F255	L188-L225 HydrophobicContact CD2-CD1 4.32Å; L188-L225 HydrophobicContact CD2-CD2 3.99Å; L188-L225 HydrophobicContact CD2-CG 4.34Å; I211-L225 HydrophobicContact CD1-CD2 3.76Å; E221-L225 PolarHBondContact O-N 2.98Å; E221-L225 VanDerWaalsContact O-N 3.14Å; K222-L225 PolarHBondContact O-N 3.44Å; L225-K227 PolarHBondContact O-N 3.34Å; L225-Y230 WeakPolarHBondContact O-CE2 3.49Å; L225-Y230 PolarHBondContact O-OH 3.34Å; L225-F255 HydrophobicContact CB-CE1 3.85Å; L225-F255 HydrophobicContact CB-CZ 3.93Å; L225-F255 HydrophobicContact CD1-CZ 4.24Å
226	K	91.3	Very high	91.4	Very high	94 Å²	94	41.8 Å²	41.8	41%	0.409	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-14.7	177.8	-169.7	171.3	-175.3	170.8	0	113.8	K222 V224 F228 D254 F255	K222-K226 VanDerWaalsContact O-CB 3.23Å; K222-K226 WeakPolarHBondContact O-CB 3.5Å; K222-K226 PolarHBondContact O-N 2.94Å; V224-K226 VanDerWaalsContact C-N 3.27Å; V224-K226 PolarHBondContact O-N 3.42Å; K226-F228 PolarHBondContact O-N 3.29Å; K226-D254 IonicContact NZ-OD2 2.67Å; K226-D254 PolarHBondContact NZ-OD2 3.28Å; K226-D254 VanDerWaalsContact NZ-OD2 3.1Å; K226-F255 HydrophobicContact CB-CD1 4.21Å; K226-F255 HydrophobicContact CB-CE1 4.26Å
227	K	90.1	Very high	91.2	Very high	137 Å²	137	39 Å²	39	60%	0.596	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-14.4	-179.7	-65.3	179.6	179.6	-177.6	0	113.4	S223 V224 L225	S223-K227 WeakPolarHBondContact O-CG 3.49Å; V224-K227 WeakPolarHBondContact O-CB 3.43Å; V224-K227 PolarHBondContact O-N 3.28Å; V224-K227 VanDerWaalsContact O-N 3.13Å; L225-K227 PolarHBondContact O-N 3.34Å
228	F	91.4	Very high	90.7	Very high	9 Å²	9	38.4 Å²	38.4	4%	0.039	19%	0.186	C	C	.	.	S	Bend	trans	-103.8	144.3	-175.9	-54	-84.1	0	0	0	111.1	P159 I203 L204 K206 W208 V224 K226 Y230	P159-F228 HydrophobicContact CG-CB 4.34Å; I203-F228 HydrophobicContact CG2-CE2 3.94Å; I203-F228 HydrophobicContact CG2-CZ 3.82Å; L204-F228 HydrophobicContact CD2-CZ 4.48Å; K206-F228 HydrophobicContact CD-CE1 4.28Å; K206-F228 HydrophobicContact CG-CE1 3.84Å; W208-F228 HydrophobicContact CZ2-CD1 4.26Å; W208-F228 HydrophobicContact CZ2-CE1 4.06Å; W208-F228 HydrophobicContact CZ2-CE2 4.5Å; W208-F228 HydrophobicContact CZ2-CZ 4.19Å; V224-F228 HydrophobicContact CG1-CE2 4.43Å; V224-F228 WeakPolarHBondContact O-CE2 3.38Å; K226-F228 PolarHBondContact O-N 3.29Å; F228-Y230 HydrophobicContact CB-CD1 4.48Å; F228-Y230 HydrophobicContact CB-CE1 3.93Å; F228-Y230 HydrophobicContact CB-CE2 4.06Å
229	H	92.2	Very high	89.9	Confident	116 Å²	116	41.7 Å²	41.7	54%	0.537	20%	0.201	S	C	.	.			trans	-99.7	102.9	169	-65.8	73.4	0	0	0	108	P159 R256	P159-H229 WeakPolarHBondContact CG-O 3.49Å; H229-R256 WeakPolarHBondContact NE2-CD 3.39Å; H229-R256 PolarHBondContact NE2-NH1 2.87Å
230	Y	94.4	Very high	89.1	Confident	1 Å²	1	45 Å²	45	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	144.7	-175.4	-58.7	-79.2	0	0	0	111.3	P159 M161 W208 I211 L225 F228 R256 S257 Q258	P159-Y230 HydrophobicContact CB-CD1 4.11Å; P159-Y230 HydrophobicContact CB-CE1 4.41Å; P159-Y230 HydrophobicContact CG-CD1 4.31Å; P159-Y230 CarbonylContact O-C 3.45Å; P159-Y230 VanDerWaalsContact O-CA 3.25Å; P159-Y230 WeakPolarHBondContact O-CA 3.3Å; M161-Y230 HydrophobicContact CB-CD1 3.61Å; M161-Y230 HydrophobicContact CB-CD2 4.44Å; M161-Y230 HydrophobicContact CB-CE1 3.62Å; M161-Y230 HydrophobicContact CB-CE2 4.47Å; M161-Y230 HydrophobicContact CB-CG 4.04Å; M161-Y230 HydrophobicContact CE-CD2 4.06Å; M161-Y230 HydrophobicContact CE-CE2 3.78Å; M161-Y230 HydrophobicContact CG-CE1 4.49Å; M161-Y230 HydrophobicContact SD-CE1 4.37Å; M161-Y230 HydrophobicContact SD-CE2 4.11Å; W208-Y230 HydrophobicContact CH2-CE1 4.11Å; I211-Y230 HydrophobicContact CG2-CE1 4.05Å; L225-Y230 WeakPolarHBondContact O-CE2 3.49Å; L225-Y230 PolarHBondContact O-OH 3.34Å; F228-Y230 HydrophobicContact CB-CD1 4.48Å; F228-Y230 HydrophobicContact CB-CE1 3.93Å; F228-Y230 HydrophobicContact CB-CE2 4.06Å; Y230-R256 WeakPolarHBondContact CD2-O 3.44Å; Y230-R256 PolarHBondContact N-O 3.05Å; Y230-S257 CarbonylContact O-C 3.4Å; Y230-S257 WeakPolarHBondContact O-CA 3.25Å; Y230-Q258 PolarHBondContact O-N 3.35Å
231	I	93.9	Very high	88.3	Confident	8 Å²	8	38.9 Å²	38.9	4%	0.041	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	-48.5	168.9	-59.4	175.4	0	0	0	109	I150 K156 G158 P159 Q258 N259	I150-I231 HydrophobicContact CG2-CG2 4.3Å; K156-I231 HydrophobicContact CB-CD1 3.79Å; K156-I231 HydrophobicContact CD-CD1 4.16Å; K156-I231 HydrophobicContact CG-CD1 4.39Å; G158-I231 WeakPolarHBondContact O-CD1 3.36Å; P159-I231 PolarHBondContact O-N 3.03Å; I231-Q258 WeakPolarHBondContact O-CB 3.41Å; I231-N259 PolarHBondContact O-N 3.43Å
232	Y	95.2	Very high	87.4	Confident	6 Å²	6	39.5 Å²	39.5	2%	0.024	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	134.8	173.5	-94.7	-83.1	0	0	0	111	H123 L146 L147 I150 H160 M161 I234 N259 L261	H123-Y232 WeakPolarHBondContact CB-OH 3.49Å; H123-Y232 AromaticContact CE1-CE2 3.92Å; H123-Y232 AromaticContact ND1-CE2 3.3Å; H123-Y232 VanDerWaalsContact ND1-CE2 3.3Å; H123-Y232 WeakPolarHBondContact ND1-CE2 3.48Å; H123-Y232 AromaticContact ND1-CZ 3.62Å; H123-Y232 PolarHBondContact ND1-OH 2.9Å; L146-Y232 HydrophobicContact CD2-CE1 3.91Å; L146-Y232 HydrophobicContact CD2-CE2 4.18Å; L146-Y232 HydrophobicContact CG-CE2 4.46Å; L147-Y232 HydrophobicContact CD2-CD2 4.35Å; L147-Y232 HydrophobicContact CD2-CG 4.35Å; I150-Y232 HydrophobicContact CD1-CE2 4.12Å; I150-Y232 HydrophobicContact CG1-CD2 4.3Å; I150-Y232 HydrophobicContact CG1-CE2 4.1Å; H160-Y232 PolarHBondContact ND1-N 2.93Å; M161-Y232 PolarHBondContact N-O 3.14Å; Y232-I234 HydrophobicContact CD1-CG1 4.45Å; Y232-N259 WeakPolarHBondContact CA-O 3.32Å; Y232-N259 HydrophobicContact CD1-CB 3.78Å; Y232-N259 HydrophobicContact CD2-CB 4.4Å; Y232-N259 HydrophobicContact CE1-CB 3.39Å; Y232-N259 HydrophobicContact CE2-CB 4.08Å; Y232-N259 HydrophobicContact CG-CB 4.25Å; Y232-L261 HydrophobicContact CD1-CB 4.49Å
233	L	94	Very high	86.3	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	109.4	164.4	-170.7	158.4	0	0	0	108.1	M161 I163 I235 V252 F255 N259 R260 L261 F281	M161-L233 HydrophobicContact CE-CD1 3.38Å; M161-L233 HydrophobicContact CE-CG 3.7Å; M161-L233 WeakPolarHBondContact O-CA 3.22Å; I163-L233 HydrophobicContact CD1-CD2 4.39Å; L233-I235 HydrophobicContact CD2-CD1 3.65Å; L233-I235 HydrophobicContact CD2-CG1 3.62Å; L233-V252 HydrophobicContact CD1-CG1 4.21Å; L233-V252 HydrophobicContact CD2-CG1 3.79Å; L233-F255 HydrophobicContact CD1-CB 3.72Å; L233-F255 HydrophobicContact CD1-CD2 4.23Å; L233-F255 HydrophobicContact CD1-CG 4.49Å; L233-N259 PolarHBondContact N-O 3.5Å; L233-R260 HydrophobicContact CB-CG 4.37Å; L233-R260 VanDerWaalsContact O-CA 3.28Å; L233-R260 WeakPolarHBondContact O-CA 3.21Å; L233-L261 PolarHBondContact O-N 3.45Å; L233-F281 HydrophobicContact CD2-CE2 4.27Å; L233-F281 HydrophobicContact CD2-CZ 3.83Å
234	I	94.9	Very high	85.1	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	138.4	-177	-63.7	152.3	0	0	0	108.7	T143 L147 M161 V162 I163 W172 Y232 L261 I263	T143-I234 HydrophobicContact CG2-CD1 3.51Å; T143-I234 HydrophobicContact CG2-CG1 4.08Å; T143-I234 HydrophobicContact CG2-CG2 3.91Å; L147-I234 HydrophobicContact CD1-CD1 3.82Å; L147-I234 HydrophobicContact CD2-CD1 3.85Å; L147-I234 HydrophobicContact CG-CD1 4.04Å; M161-I234 PolarHBondContact O-N 3.29Å; V162-I234 CarbonylContact C-O 3.51Å; V162-I234 WeakPolarHBondContact CA-O 3.47Å; V162-I234 HydrophobicContact CB-CB 4.5Å; V162-I234 HydrophobicContact CG1-CB 4.17Å; V162-I234 HydrophobicContact CG1-CG2 3.98Å; V162-I234 HydrophobicContact CG2-CB 4.29Å; V162-I234 HydrophobicContact CG2-CD1 4.02Å; I163-I234 PolarHBondContact N-O 2.98Å; W172-I234 HydrophobicContact CH2-CG2 4.42Å; Y232-I234 HydrophobicContact CD1-CG1 4.45Å; I234-L261 WeakPolarHBondContact CA-O 3.19Å; I234-L261 HydrophobicContact CG1-CB 4.09Å; I234-L261 HydrophobicContact CG1-CD2 4.37Å; I234-I263 HydrophobicContact CG2-CD1 3.59Å; I234-I263 HydrophobicContact CG2-CG1 4.22Å
235	I	92.2	Very high	84.1	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	117.2	177.6	-51.8	-175.2	0	0	0	109.4	I163 Y215 L233 I241 V252 L261 L262 I263 F281	I163-I235 HydrophobicContact CB-CG1 4.35Å; I163-I235 HydrophobicContact CD1-CD1 4.37Å; I163-I235 HydrophobicContact CD1-CG1 4.32Å; I163-I235 WeakPolarHBondContact O-CA 3.33Å; Y215-I235 HydrophobicContact CE1-CG2 3.71Å; Y215-I235 WeakPolarHBondContact OH-CG2 3.31Å; L233-I235 HydrophobicContact CD2-CD1 3.65Å; L233-I235 HydrophobicContact CD2-CG1 3.62Å; I235-I241 HydrophobicContact CB-CD1 4.32Å; I235-I241 HydrophobicContact CD1-CD1 3.21Å; I235-I241 HydrophobicContact CG1-CD1 4.32Å; I235-I241 HydrophobicContact CG2-CD1 3.74Å; I235-V252 HydrophobicContact CD1-CG1 3.56Å; I235-L261 PolarHBondContact N-O 3.24Å; I235-L262 HydrophobicContact CB-CD2 3.8Å; I235-L262 HydrophobicContact CD1-CD2 4.11Å; I235-L262 HydrophobicContact CG1-CD2 4.23Å; I235-L262 HydrophobicContact CG2-CD2 4.5Å; I235-I263 PolarHBondContact O-N 2.84Å; I235-F281 HydrophobicContact CD1-CD2 4.45Å; I235-F281 HydrophobicContact CD1-CE1 4.27Å; I235-F281 HydrophobicContact CD1-CE2 3.4Å; I235-F281 VanDerWaalsContact CD1-CE2 3.4Å; I235-F281 HydrophobicContact CD1-CZ 3.28Å; I235-F281 HydrophobicContact CG1-CZ 4.03Å
236	D	90.4	Very high	83.2	Confident	12 Å²	12	46.3 Å²	46.3	6%	0.064	21%	0.212	C	C	.	.	S	Bend	trans	-89.5	143.6	176.3	-165.8	25.5	0	0	0	112	I163 V164 W172 Y215 I263	I163-D236 PolarHBondContact O-N 3.16Å; V164-D236 HydrophobicContact CB-CB 4.16Å; V164-D236 HydrophobicContact CG1-CB 3.78Å; W172-D236 HydrophobicContact CZ2-CB 3.91Å; W172-D236 PolarHBondContact NE1-OD2 3.26Å; Y215-D236 PolarHBondContact OH-O 3.09Å; D236-I263 WeakPolarHBondContact OD1-CG2 3.27Å
237	E	83	Confident	82.5	Confident	26 Å²	26	49 Å²	49	12%	0.121	22%	0.223	C	C	.	.	S	Bend	trans	52.3	54.7	-172.8	-69.4	-59.2	152.8	0	0	112.8	P165 Y215 H239 R240 I263	P165-E237 HydrophobicContact CG-CB 3.76Å; P165-E237 HydrophobicContact CG-CG 3.97Å; Y215-E237 PolarHBondContact OH-O 3.3Å; E237-H239 PolarHBondContact O-N 3.45Å; E237-H239 PolarHBondContact O-ND1 2.79Å; E237-H239 IonicContact OE2-CE1 2.87Å; E237-H239 PolarHBondContact OE2-CE1 2.94Å; E237-H239 IonicContact OE2-ND1 2.94Å; E237-H239 PolarHBondContact OE2-ND1 3.45Å; E237-R240 PolarHBondContact O-N 3.19Å; E237-I263 WeakPolarHBondContact CA-O 3.25Å; E237-I263 PolarHBondContact N-O 3.01Å
238	A	79.1	Confident	81.8	Confident	4 Å²	4	43 Å²	43	3%	0.033	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-58.3	-3.4	-175	0	0	0	0	0	115.4	R240 I241 L262 I263	A238-R240 PolarHBondContact O-N 3.45Å; A238-I241 PolarHBondContact O-N 3.47Å; A238-L262 HydrophobicContact CB-CB 3.97Å; A238-L262 HydrophobicContact CB-CD1 4.35Å; A238-L262 HydrophobicContact CB-CD2 3.82Å; A238-L262 HydrophobicContact CB-CG 4.27Å; A238-I263 PolarHBondContact N-O 2.82Å
239	H	74	Confident	81.1	Confident	69 Å²	69	42.6 Å²	42.6	32%	0.319	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-55.2	-20.3	171.9	70	-102.4	0	0	0	113	E237 I241 K242	E237-H239 PolarHBondContact O-N 3.45Å; E237-H239 PolarHBondContact O-ND1 2.79Å; E237-H239 IonicContact OE2-CE1 2.87Å; E237-H239 PolarHBondContact OE2-CE1 2.94Å; E237-H239 IonicContact OE2-ND1 2.94Å; E237-H239 PolarHBondContact OE2-ND1 3.45Å; H239-I241 VanDerWaalsContact C-N 3.33Å; H239-K242 HydrophobicContact CB-CD 4.01Å; H239-K242 WeakPolarHBondContact O-CD 3.44Å; H239-K242 VanDerWaalsContact O-CG 3.31Å; H239-K242 WeakPolarHBondContact O-CG 3.17Å
240	R	71	Confident	80.5	Confident	146 Å²	146	42 Å²	42	55%	0.551	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-70.4	-21.1	174.3	-66.2	-68.6	-177.5	153.8	3.2	114.6	Y215 E237 A238 L248	Y215-R240 HydrophobicContact CD2-CG 4.4Å; Y215-R240 HydrophobicContact CE1-CB 4.18Å; Y215-R240 HydrophobicContact CE2-CB 4.31Å; Y215-R240 HydrophobicContact CE2-CG 3.95Å; E237-R240 PolarHBondContact O-N 3.19Å; A238-R240 PolarHBondContact O-N 3.45Å; R240-L248 HydrophobicContact CB-CD2 4.16Å
241	I	73.3	Confident	80	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-9	-177.4	-66.5	171.7	0	0	0	112.5	I235 A238 H239 N243 L248 L262 F281	I235-I241 HydrophobicContact CB-CD1 4.32Å; I235-I241 HydrophobicContact CD1-CD1 3.21Å; I235-I241 HydrophobicContact CG1-CD1 4.32Å; I235-I241 HydrophobicContact CG2-CD1 3.74Å; A238-I241 PolarHBondContact O-N 3.47Å; H239-I241 VanDerWaalsContact C-N 3.33Å; I241-N243 CarbonylContact O-C 3.34Å; I241-N243 PolarHBondContact O-N 2.86Å; I241-L248 HydrophobicContact CG1-CD2 4.32Å; I241-L262 HydrophobicContact CD1-CD2 4.41Å; I241-F281 HydrophobicContact CD1-CE2 4.4Å
242	K	72	Confident	79.5	Confident	36 Å²	36	42.4 Å²	42.4	16%	0.157	20%	0.195	C	C	.	.	S	Bend	trans	-53.5	-21.7	-179.7	-64.4	-179.6	167	-145.7	0	114.2	H239 P267 E274	H239-K242 HydrophobicContact CB-CD 4.01Å; H239-K242 WeakPolarHBondContact O-CD 3.44Å; H239-K242 VanDerWaalsContact O-CG 3.31Å; H239-K242 WeakPolarHBondContact O-CG 3.17Å; K242-P267 PolarHBondContact NZ-O 3.27Å; K242-E274 HydrophobicContact CB-CB 4.4Å; K242-E274 HydrophobicContact CB-CG 3.73Å; K242-E274 HydrophobicContact CD-CG 4.02Å; K242-E274 VanDerWaalsContact CD-OE1 3.26Å; K242-E274 WeakPolarHBondContact CD-OE1 3.44Å; K242-E274 WeakPolarHBondContact CD-OE2 3.1Å; K242-E274 WeakPolarHBondContact CE-OE1 3.35Å; K242-E274 HydrophobicContact CG-CG 3.63Å; K242-E274 IonicContact NZ-OE1 3.38Å; K242-E274 PolarHBondContact NZ-OE1 3.28Å; K242-E274 IonicContact NZ-OE2 3.35Å
243	N	67.6	Low	78.8	Confident	97 Å²	97	45 Å²	45	52%	0.519	21%	0.205	S	C	.	.			trans	-99.7	106.7	171.9	-172.8	-7.7	0	0	0	110.4	I241 K245 S246	I241-N243 CarbonylContact O-C 3.34Å; I241-N243 PolarHBondContact O-N 2.86Å; N243-K245 PolarHBondContact O-N 2.87Å; N243-K245 PolarHBondContact OD1-N 3.44Å; N243-S246 WeakPolarHBondContact O-CB 3.41Å; N243-S246 PolarHBondContact O-N 2.88Å
244	E	65.8	Low	78.3	Confident	14 Å²	14	48.1 Å²	48.1	7%	0.065	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-32.3	176.6	68.8	-154.3	-168.4	0	0	113.9	S246 H273 W276 A277	E244-S246 PolarHBondContact O-N 3.22Å; E244-H273 IonicContact OE1-ND1 2.72Å; E244-H273 PolarHBondContact OE1-ND1 3.32Å; E244-H273 IonicContact OE2-CG 3.24Å; E244-H273 IonicContact OE2-ND1 2.54Å; E244-H273 PolarHBondContact OE2-ND1 3.37Å; E244-W276 HydrophobicContact CB-CE3 4.14Å; E244-W276 HydrophobicContact CB-CZ3 3.79Å; E244-W276 HydrophobicContact CG-CZ3 4.41Å; E244-A277 HydrophobicContact CB-CB 4.12Å
245	K	68.2	Low	78	Confident	159 Å²	159	48.2 Å²	48.2	69%	0.691	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-0.2	-179.2	-58.6	-176.9	-178.5	173.9	0	112.5	N243 K247	N243-K245 PolarHBondContact O-N 2.87Å; N243-K245 PolarHBondContact OD1-N 3.44Å; K245-K247 PolarHBondContact O-N 3.01Å
246	S	73.2	Confident	77.9	Confident	39 Å²	39	55.3 Å²	55.3	27%	0.273	25%	0.249	S	C	.	.	S	Bend	trans	-69	128.3	173.6	-177.4	0	0	0	0	109.4	N243 E244 L248 S249 E250	N243-S246 WeakPolarHBondContact O-CB 3.41Å; N243-S246 PolarHBondContact O-N 2.88Å; E244-S246 PolarHBondContact O-N 3.22Å; S246-L248 PolarHBondContact O-N 3.42Å; S246-L248 PolarHBondContact OG-N 3.21Å; S246-S249 WeakPolarHBondContact O-CB 3.35Å; S246-S249 PolarHBondContact O-N 3.28Å; S246-E250 PolarHBondContact O-N 3.48Å
247	K	76	Confident	77.9	Confident	150 Å²	150	56.1 Å²	56.1	65%	0.652	26%	0.256	S	S	*	.	H	α-helix	trans	-48.1	-33.1	171.9	-71	-175.6	177.2	-178.5	0	112.4	K245 I251	K245-K247 PolarHBondContact O-N 3.01Å; K247-I251 WeakPolarHBondContact O-CB 3.47Å; K247-I251 VanDerWaalsContact O-CD1 3.31Å; K247-I251 WeakPolarHBondContact O-CD1 3.43Å; K247-I251 WeakPolarHBondContact O-CG1 3.38Å; K247-I251 PolarHBondContact O-N 2.85Å
248	L	76.1	Confident	78.2	Confident	10 Å²	10	60 Å²	60	5%	0.052	27%	0.274	C	S	.	.	H	α-helix	trans	-62.5	-46	176.6	178.9	72.3	0	0	0	111.9	Y215 I219 R240 I241 S246 E250 I251 V252	Y215-L248 HydrophobicContact CD1-CD1 3.59Å; Y215-L248 HydrophobicContact CD1-CD2 3.13Å; Y215-L248 HydrophobicContact CD1-CG 3.89Å; Y215-L248 HydrophobicContact CE1-CD2 3.52Å; Y215-L248 HydrophobicContact CE1-CG 4.47Å; Y215-L248 HydrophobicContact CG-CD1 4.31Å; Y215-L248 HydrophobicContact CG-CD2 3.93Å; I219-L248 HydrophobicContact CG1-CD1 4.42Å; R240-L248 HydrophobicContact CB-CD2 4.16Å; I241-L248 HydrophobicContact CG1-CD2 4.32Å; S246-L248 PolarHBondContact O-N 3.42Å; S246-L248 PolarHBondContact OG-N 3.21Å; L248-E250 VanDerWaalsContact C-N 3.32Å; L248-E250 PolarHBondContact O-N 3.04Å; L248-I251 PolarHBondContact O-N 2.86Å; L248-V252 HydrophobicContact CD1-CG2 3.96Å; L248-V252 HydrophobicContact CG-CG2 4.22Å; L248-V252 WeakPolarHBondContact O-CB 3.34Å; L248-V252 WeakPolarHBondContact O-CG2 3.3Å; L248-V252 PolarHBondContact O-N 2.87Å
249	S	76.2	Confident	78.7	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.007	27%	0.272	C	S	.	.	H	α-helix	trans	-59.6	-45.9	179.2	-167.1	0	0	0	0	110.3	S246 I251 V252 R253	S246-S249 WeakPolarHBondContact O-CB 3.35Å; S246-S249 PolarHBondContact O-N 3.28Å; S249-I251 PolarHBondContact O-N 3.41Å; S249-V252 PolarHBondContact O-N 3.31Å; S249-R253 WeakPolarHBondContact O-CB 3.43Å; S249-R253 WeakPolarHBondContact O-CD 3.39Å; S249-R253 WeakPolarHBondContact O-CG 3.46Å; S249-R253 PolarHBondContact O-N 3.46Å; S249-R253 PolarHBondContact OG-NE 3.01Å; S249-R253 PolarHBondContact OG-NH2 3.35Å
250	E	80.1	Confident	79.6	Confident	105 Å²	105	57.3 Å²	57.3	49%	0.491	26%	0.26	S	S	.	.	H	α-helix	trans	-58.8	-44.9	175.2	-62.9	174.6	178.9	0	0	112.9	S246 L248 R253 D254	S246-E250 PolarHBondContact O-N 3.48Å; L248-E250 VanDerWaalsContact C-N 3.32Å; L248-E250 PolarHBondContact O-N 3.04Å; E250-R253 PolarHBondContact O-N 3.18Å; E250-D254 PolarHBondContact O-N 2.94Å
251	I	84	Confident	80.6	Confident	16 Å²	16	50.5 Å²	50.5	8%	0.082	24%	0.235	C	C	.	.	H	α-helix	trans	-70.2	-39.8	-177.4	-70.9	164.3	0	0	0	111.8	I219 K222 K247 L248 S249 R253 D254 F255	I219-I251 HydrophobicContact CB-CD1 4.05Å; I219-I251 HydrophobicContact CG1-CD1 3.75Å; I219-I251 HydrophobicContact CG2-CD1 3.89Å; K222-I251 HydrophobicContact CB-CG2 4.4Å; K222-I251 HydrophobicContact CD-CG1 4.01Å; K222-I251 HydrophobicContact CD-CG2 4.07Å; K222-I251 HydrophobicContact CG-CG2 4Å; K247-I251 WeakPolarHBondContact O-CB 3.47Å; K247-I251 VanDerWaalsContact O-CD1 3.31Å; K247-I251 WeakPolarHBondContact O-CD1 3.43Å; K247-I251 WeakPolarHBondContact O-CG1 3.38Å; K247-I251 PolarHBondContact O-N 2.85Å; L248-I251 PolarHBondContact O-N 2.86Å; S249-I251 PolarHBondContact O-N 3.41Å; I251-R253 VanDerWaalsContact C-N 3.32Å; I251-D254 VanDerWaalsContact O-CB 3.29Å; I251-D254 WeakPolarHBondContact O-CB 3.41Å; I251-D254 PolarHBondContact O-N 3.23Å; I251-F255 HydrophobicContact CG2-CE1 4.28Å; I251-F255 HydrophobicContact CG2-CE2 3.98Å; I251-F255 HydrophobicContact CG2-CZ 3.64Å
252	V	83.3	Confident	81.5	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-70.6	-34.2	179.1	179.1	0	0	0	0	110.6	I163 L233 I235 L248 S249 D254 F255 F281	I163-V252 HydrophobicContact CD1-CG1 4.12Å; I163-V252 HydrophobicContact CD1-CG2 3.73Å; L233-V252 HydrophobicContact CD1-CG1 4.21Å; L233-V252 HydrophobicContact CD2-CG1 3.79Å; I235-V252 HydrophobicContact CD1-CG1 3.56Å; L248-V252 HydrophobicContact CD1-CG2 3.96Å; L248-V252 HydrophobicContact CG-CG2 4.22Å; L248-V252 WeakPolarHBondContact O-CB 3.34Å; L248-V252 WeakPolarHBondContact O-CG2 3.3Å; L248-V252 PolarHBondContact O-N 2.87Å; S249-V252 PolarHBondContact O-N 3.31Å; V252-D254 PolarHBondContact O-N 3.49Å; V252-F255 PolarHBondContact O-N 3.36Å; V252-F281 HydrophobicContact CG1-CE2 3.62Å; V252-F281 HydrophobicContact CG1-CZ 4.43Å
253	R	79.5	Confident	82.4	Confident	62 Å²	62	48.8 Å²	48.8	23%	0.234	23%	0.227	C	C	.	.	H	α-helix	trans	-60.2	-36	171.6	-72.7	164.8	-169.6	-162	-7.6	112.2	S249 E250 I251 F255 R260 N280	S249-R253 WeakPolarHBondContact O-CB 3.43Å; S249-R253 WeakPolarHBondContact O-CD 3.39Å; S249-R253 WeakPolarHBondContact O-CG 3.46Å; S249-R253 PolarHBondContact O-N 3.46Å; S249-R253 PolarHBondContact OG-NE 3.01Å; S249-R253 PolarHBondContact OG-NH2 3.35Å; E250-R253 PolarHBondContact O-N 3.18Å; I251-R253 VanDerWaalsContact C-N 3.32Å; R253-F255 PolarHBondContact O-N 3.44Å; R253-R260 PolarHBondContact O-NH2 3.45Å; R253-N280 PolarHBondContact NE-OD1 3.25Å; R253-N280 PolarHBondContact NH2-OD1 2.78Å
254	D	84.3	Confident	83.2	Confident	64 Å²	64	44.3 Å²	44.3	34%	0.342	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-16.4	177.4	-98.4	18.2	0	0	0	114.3	K222 K226 E250 I251 V252	K222-D254 WeakPolarHBondContact CE-OD2 3.31Å; K222-D254 IonicContact NZ-OD2 2.87Å; K222-D254 PolarHBondContact NZ-OD2 2.96Å; K226-D254 IonicContact NZ-OD2 2.67Å; K226-D254 PolarHBondContact NZ-OD2 3.28Å; K226-D254 VanDerWaalsContact NZ-OD2 3.1Å; E250-D254 PolarHBondContact O-N 2.94Å; I251-D254 VanDerWaalsContact O-CB 3.29Å; I251-D254 WeakPolarHBondContact O-CB 3.41Å; I251-D254 PolarHBondContact O-N 3.23Å; V252-D254 PolarHBondContact O-N 3.49Å
255	F	89.2	Confident	83.5	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.009	21%	0.206	C	C	.	.	S	Bend	trans	-82.4	129.6	179.1	-61.5	-36.5	0	0	0	111.3	M161 C218 K222 L225 K226 L233 I251 V252 R253 R260	M161-F255 HydrophobicContact CE-CB 4.14Å; M161-F255 HydrophobicContact CE-CD2 3.41Å; M161-F255 VanDerWaalsContact CE-CD2 3.41Å; M161-F255 HydrophobicContact CE-CE2 3.96Å; M161-F255 HydrophobicContact CE-CG 3.95Å; M161-F255 HydrophobicContact SD-CD2 4.48Å; C218-F255 HydrophobicContact CB-CE2 4.18Å; C218-F255 HydrophobicContact CB-CZ 4.4Å; K222-F255 HydrophobicContact CG-CE1 4.2Å; L225-F255 HydrophobicContact CB-CE1 3.85Å; L225-F255 HydrophobicContact CB-CZ 3.93Å; L225-F255 HydrophobicContact CD1-CZ 4.24Å; K226-F255 HydrophobicContact CB-CD1 4.21Å; K226-F255 HydrophobicContact CB-CE1 4.26Å; L233-F255 HydrophobicContact CD1-CB 3.72Å; L233-F255 HydrophobicContact CD1-CD2 4.23Å; L233-F255 HydrophobicContact CD1-CG 4.49Å; I251-F255 HydrophobicContact CG2-CE1 4.28Å; I251-F255 HydrophobicContact CG2-CE2 3.98Å; I251-F255 HydrophobicContact CG2-CZ 3.64Å; V252-F255 PolarHBondContact O-N 3.36Å; R253-F255 PolarHBondContact O-N 3.44Å; F255-R260 PolarHBondContact O-NH2 3.5Å
256	R	89	Confident	83.4	Confident	149 Å²	149	37.4 Å²	37.4	56%	0.562	18%	0.178	S	C	*	.			trans	-78.9	123.2	-179.8	-66.9	-178	176	172.8	-5.2	109.9	H229 Y230	H229-R256 WeakPolarHBondContact NE2-CD 3.39Å; H229-R256 PolarHBondContact NE2-NH1 2.87Å; Y230-R256 WeakPolarHBondContact CD2-O 3.44Å; Y230-R256 PolarHBondContact N-O 3.05Å
257	S	90.6	Very high	82.9	Confident	30 Å²	30	36.6 Å²	36.6	21%	0.21	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	142.3	-179.1	59.8	0	0	0	0	111.4	Y230 R260	Y230-S257 CarbonylContact O-C 3.4Å; Y230-S257 WeakPolarHBondContact O-CA 3.25Å; S257-R260 WeakPolarHBondContact OG-CG 3.42Å; S257-R260 PolarHBondContact OG-NE 3.37Å
258	Q	89.6	Confident	82.3	Confident	106 Å²	106	30.7 Å²	30.7	50%	0.495	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	-49.6	172	-62.4	175.7	10	0	0	111.3	Y230 I231	Y230-Q258 PolarHBondContact O-N 3.35Å; I231-Q258 WeakPolarHBondContact O-CB 3.41Å
259	N	90.4	Very high	81.5	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	154.4	176.6	-63.2	91.9	0	0	0	111.5	H123 I127 N128 I231 Y232 L233	H123-N259 PolarHBondContact ND1-OD1 3.35Å; I127-N259 PolarHBondContact O-ND2 3.28Å; N128-N259 VanDerWaalsContact OD1-CA 3.25Å; N128-N259 WeakPolarHBondContact OD1-CA 3.5Å; I231-N259 PolarHBondContact O-N 3.43Å; Y232-N259 WeakPolarHBondContact CA-O 3.32Å; Y232-N259 HydrophobicContact CD1-CB 3.78Å; Y232-N259 HydrophobicContact CD2-CB 4.4Å; Y232-N259 HydrophobicContact CE1-CB 3.39Å; Y232-N259 HydrophobicContact CE2-CB 4.08Å; Y232-N259 HydrophobicContact CG-CB 4.25Å; L233-N259 PolarHBondContact N-O 3.5Å
260	R	92	Very high	80.7	Confident	17 Å²	17	33.5 Å²	33.5	6%	0.064	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	138.7	179.3	-61.6	-179.8	173.5	176.4	-1.1	110.3	N128 G129 L233 R253 F255 S257 F281	N128-R260 WeakPolarHBondContact CA-O 3.31Å; N128-R260 HydrophobicContact CB-CB 4.23Å; N128-R260 WeakPolarHBondContact CB-O 3.47Å; N128-R260 PolarHBondContact OD1-N 3.14Å; G129-R260 PolarHBondContact N-O 3.31Å; G129-R260 VanDerWaalsContact N-O 3.14Å; L233-R260 HydrophobicContact CB-CG 4.37Å; L233-R260 VanDerWaalsContact O-CA 3.28Å; L233-R260 WeakPolarHBondContact O-CA 3.21Å; R253-R260 PolarHBondContact O-NH2 3.45Å; F255-R260 PolarHBondContact O-NH2 3.5Å; S257-R260 WeakPolarHBondContact OG-CG 3.42Å; S257-R260 PolarHBondContact OG-NE 3.37Å; R260-F281 HydrophobicContact CB-CE1 3.76Å; R260-F281 HydrophobicContact CB-CZ 4.1Å; R260-F281 WeakPolarHBondContact CD-O 3.22Å; R260-F281 HydrophobicContact CG-CE1 4.38Å; R260-F281 HydrophobicContact CG-CZ 4.3Å; R260-F281 PolarHBondContact NH1-O 2.89Å
261	L	92.7	Very high	80	Confident	4 Å²	4	30 Å²	30	2%	0.021	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	123.7	177	-179.4	69.4	0	0	0	109.7	M119 G129 L131 T143 L146 Y232 L233 I234 I235 I263	M119-L261 HydrophobicContact SD-CD1 4.19Å; M119-L261 HydrophobicContact SD-CD2 3.72Å; G129-L261 WeakPolarHBondContact O-CA 3.4Å; L131-L261 HydrophobicContact CB-CD1 4.39Å; T143-L261 HydrophobicContact CG2-CD2 3.89Å; L146-L261 HydrophobicContact CD2-CD2 4.4Å; Y232-L261 HydrophobicContact CD1-CB 4.49Å; L233-L261 PolarHBondContact O-N 3.45Å; I234-L261 WeakPolarHBondContact CA-O 3.19Å; I234-L261 HydrophobicContact CG1-CB 4.09Å; I234-L261 HydrophobicContact CG1-CD2 4.37Å; I235-L261 PolarHBondContact N-O 3.24Å; L261-I263 HydrophobicContact CD2-CG1 4.35Å; L261-I263 HydrophobicContact CG-CG1 4.34Å
262	L	91.6	Very high	79.2	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	134.6	170.4	-65.6	-177.6	0	0	0	109.9	G129 I130 L131 I235 A238 I241 L278 F281	G129-L262 PolarHBondContact O-N 3.35Å; I130-L262 CarbonylContact C-O 3.6Å; I130-L262 WeakPolarHBondContact CA-O 3.35Å; I130-L262 HydrophobicContact CB-CB 4.46Å; I130-L262 HydrophobicContact CD1-CD1 4.4Å; I130-L262 HydrophobicContact CG1-CB 4.19Å; I130-L262 HydrophobicContact CG1-CD1 4.32Å; I130-L262 HydrophobicContact CG2-CB 4.19Å; L131-L262 PolarHBondContact N-O 3.48Å; I235-L262 HydrophobicContact CB-CD2 3.8Å; I235-L262 HydrophobicContact CD1-CD2 4.11Å; I235-L262 HydrophobicContact CG1-CD2 4.23Å; I235-L262 HydrophobicContact CG2-CD2 4.5Å; A238-L262 HydrophobicContact CB-CB 3.97Å; A238-L262 HydrophobicContact CB-CD1 4.35Å; A238-L262 HydrophobicContact CB-CD2 3.82Å; A238-L262 HydrophobicContact CB-CG 4.27Å; I241-L262 HydrophobicContact CD1-CD2 4.41Å; L262-L278 HydrophobicContact CD1-CD2 3.41Å; L262-L278 VanDerWaalsContact CD1-CD2 3.41Å; L262-F281 HydrophobicContact CD1-CD1 3.63Å; L262-F281 HydrophobicContact CD1-CE1 4.12Å; L262-F281 HydrophobicContact CD1-CG 4.39Å; L262-F281 HydrophobicContact CD2-CD1 3.54Å; L262-F281 HydrophobicContact CD2-CE1 3.19Å; L262-F281 HydrophobicContact CD2-CG 4.34Å; L262-F281 HydrophobicContact CD2-CZ 3.76Å; L262-F281 HydrophobicContact CG-CD1 3.59Å; L262-F281 HydrophobicContact CG-CE1 3.52Å
263	I	91	Very high	78.7	Confident	0 Å²	0	33 Å²	33	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	127.4	175	-53.4	172.3	0	0	0	107.3	L131 K139 T143 W172 I234 I235 D236 E237 A238 L261	L131-I263 WeakPolarHBondContact O-CA 3.45Å; K139-I263 HydrophobicContact CB-CG2 3.78Å; K139-I263 HydrophobicContact CD-CG2 3.65Å; K139-I263 HydrophobicContact CG-CG2 4.33Å; T143-I263 HydrophobicContact CG2-CD1 4.02Å; T143-I263 WeakPolarHBondContact OG1-CD1 3.38Å; W172-I263 HydrophobicContact CH2-CD1 3.69Å; W172-I263 HydrophobicContact CZ2-CD1 3.87Å; I234-I263 HydrophobicContact CG2-CD1 3.59Å; I234-I263 HydrophobicContact CG2-CG1 4.22Å; I235-I263 PolarHBondContact O-N 2.84Å; D236-I263 WeakPolarHBondContact OD1-CG2 3.27Å; E237-I263 WeakPolarHBondContact CA-O 3.25Å; E237-I263 PolarHBondContact N-O 3.01Å; A238-I263 PolarHBondContact N-O 2.82Å; L261-I263 HydrophobicContact CD2-CG1 4.35Å; L261-I263 HydrophobicContact CG-CG1 4.34Å
264	T	85.1	Confident	78.5	Confident	3 Å²	3	30.3 Å²	30.3	2%	0.018	15%	0.149	C	C	.	.			trans	-143.9	141.6	178.2	174.4	0	0	0	0	110.4	I130 L131 A132 K139 T266	I130-T264 HydrophobicContact CG2-CG2 4.03Å; L131-T264 PolarHBondContact O-N 3.49Å; L131-T264 VanDerWaalsContact O-N 3.08Å; A132-T264 CarbonylContact C-O 3.56Å; A132-T264 VanDerWaalsContact CA-O 3.31Å; A132-T264 WeakPolarHBondContact CA-O 3.32Å; A132-T264 HydrophobicContact CB-CG2 3.77Å; K139-T264 WeakPolarHBondContact CE-O 3.28Å; T264-T266 PolarHBondContact OG1-N 2.88Å; T264-T266 VanDerWaalsContact OG1-N 3.13Å; T264-T266 PolarHBondContact OG1-O 2.92Å; T264-T266 VanDerWaalsContact OG1-O 3.1Å; T264-T266 PolarHBondContact OG1-OG1 3.07Å; T264-T266 VanDerWaalsContact OG1-OG1 3.1Å
265	G	71.4	Confident	77.9	Confident	12 Å²	12	27.3 Å²	27.3	12%	0.124	13%	0.133	C	C	.	.	S	Bend	trans	-91.4	-21.8	167.4	0	0	0	0	0	113.7	M135	M135-G265 VanDerWaalsContact CG-CA 3.48Å
266	T	67	Low	77.3	Confident	15 Å²	15	27.5 Å²	27.5	9%	0.092	13%	0.134	C	C	.	.	S	Bend	trans	-88.5	145.4	-174.1	57	0	0	0	0	111.4	T264	T264-T266 PolarHBondContact OG1-N 2.88Å; T264-T266 VanDerWaalsContact OG1-N 3.13Å; T264-T266 PolarHBondContact OG1-O 2.92Å; T264-T266 VanDerWaalsContact OG1-O 3.1Å; T264-T266 PolarHBondContact OG1-OG1 3.07Å; T264-T266 VanDerWaalsContact OG1-OG1 3.1Å
267	P	61.3	Low	76.7	Confident	22 Å²	22	20.4 Å²	20.4	14%	0.143	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-55.3	144	170.3	22.1	-30.3	0	0	0	111.3	K242 Q269 I560	K242-P267 PolarHBondContact NZ-O 3.27Å; P267-Q269 PolarHBondContact O-N 3.37Å; P267-I560 HydrophobicContact CB-CD1 3.9Å; P267-I560 HydrophobicContact CB-CG1 4.28Å; P267-I560 HydrophobicContact CG-CD1 4.4Å
268	L	63.1	Low	76.1	Confident	26 Å²	26	19.2 Å²	19.2	14%	0.136	10%	0.098	C	C	.	.	P	Polyproline II helix	trans	-65.5	127.8	167.6	-62.8	-177.6	0	0	0	107.6	L278 L319	L268-L278 HydrophobicContact CD1-CD1 4.48Å; L268-L278 HydrophobicContact CD2-CD1 3.5Å; L268-L319 HydrophobicContact CD1-CD1 4.01Å; L268-L319 HydrophobicContact CD1-CD2 3.94Å
269	Q	59.8	Low	75.5	Confident	49 Å²	49	14.1 Å²	14.1	23%	0.229	7%	0.074	C	C	.	.	P	Polyproline II helix	trans	-85.9	152.7	176.8	-61.3	-164.8	-12.2	0	0	109.6	P267 N271 E274 N571	P267-Q269 PolarHBondContact O-N 3.37Å; Q269-N271 PolarHBondContact O-N 3.37Å; Q269-E274 WeakPolarHBondContact CB-OE2 3.35Å; Q269-E274 PolarHBondContact N-OE1 3.29Å; Q269-N571 PolarHBondContact NE2-ND2 2.91Å; Q269-N571 VanDerWaalsContact NE2-ND2 3.19Å; Q269-N571 PolarHBondContact OE1-ND2 3.46Å; Q269-N571 VanDerWaalsContact OE1-ND2 3.1Å
270	N	60.2	Low	74.8	Confident	22 Å²	22	14.4 Å²	14.4	12%	0.118	8%	0.076	C	C	.	.			trans	-77.9	41.5	178.6	-68.7	-40.7	0	0	0	112.2	H312 R564 L565 V566	N270-H312 PolarHBondContact OD1-NE2 3.27Å; N270-R564 PolarHBondContact ND2-O 3.44Å; N270-L565 HydrophobicContact CB-CD2 4.03Å; N270-L565 VanDerWaalsContact ND2-C 3.34Å; N270-L565 VanDerWaalsContact ND2-CA 3.28Å; N270-L565 WeakPolarHBondContact ND2-CA 3.44Å; N270-V566 WeakPolarHBondContact CB-O 3.35Å; N270-V566 PolarHBondContact ND2-N 3.02Å
271	N	65.3	Low	74.1	Confident	31 Å²	31	13.7 Å²	13.7	17%	0.166	7%	0.073	C	C	.	.			trans	-92.1	120.5	169	178.5	-13.8	0	0	0	108.5	Q269 H273 E274 L275 Q568	Q269-N271 PolarHBondContact O-N 3.37Å; N271-H273 VanDerWaalsContact C-N 3.33Å; N271-H273 PolarHBondContact O-N 3.32Å; N271-H273 PolarHBondContact OD1-N 2.89Å; N271-E274 HydrophobicContact CB-CB 3.71Å; N271-E274 WeakPolarHBondContact O-CA 3.37Å; N271-E274 VanDerWaalsContact O-CB 3.29Å; N271-E274 WeakPolarHBondContact O-CB 3.45Å; N271-E274 PolarHBondContact O-N 3.03Å; N271-L275 WeakPolarHBondContact O-CG 3.4Å; N271-L275 PolarHBondContact O-N 2.94Å; N271-Q568 HydrophobicContact CB-CG 3.8Å; N271-Q568 PolarHBondContact ND2-NE2 2.88Å; N271-Q568 PolarHBondContact ND2-OE1 3.02Å
272	L	67	Low	73.4	Confident	15 Å²	15	13.6 Å²	13.6	8%	0.079	7%	0.073	C	C	.	.	H	α-helix	trans	-50.8	-48.5	176.9	-162.2	104.5	0	0	0	113.6	E274 L275 W276 F293 F297 V308 L311	L272-E274 VanDerWaalsContact C-N 3.29Å; L272-E274 PolarHBondContact O-N 3.44Å; L272-L275 PolarHBondContact O-N 3.48Å; L272-W276 WeakPolarHBondContact O-CB 3.39Å; L272-W276 PolarHBondContact O-N 3.15Å; L272-F293 HydrophobicContact CD2-CD1 4.02Å; L272-F293 HydrophobicContact CD2-CE1 3.46Å; L272-F293 VanDerWaalsContact CD2-CE1 3.46Å; L272-F293 HydrophobicContact CD2-CZ 4.38Å; L272-F293 HydrophobicContact CG-CE1 3.75Å; L272-F293 HydrophobicContact CG-CZ 4.33Å; L272-F297 HydrophobicContact CD1-CD1 3.93Å; L272-F297 HydrophobicContact CD1-CE1 3.09Å; L272-F297 HydrophobicContact CD1-CZ 3.56Å; L272-F297 HydrophobicContact CD2-CD1 3.82Å; L272-F297 HydrophobicContact CD2-CD2 3.91Å; L272-F297 HydrophobicContact CD2-CE1 3.42Å; L272-F297 VanDerWaalsContact CD2-CE1 3.42Å; L272-F297 HydrophobicContact CD2-CE2 3.61Å; L272-F297 HydrophobicContact CD2-CG 4.08Å; L272-F297 HydrophobicContact CD2-CZ 3.35Å; L272-F297 HydrophobicContact CG-CD1 4.46Å; L272-F297 HydrophobicContact CG-CE1 3.73Å; L272-F297 HydrophobicContact CG-CE2 4.48Å; L272-F297 HydrophobicContact CG-CZ 3.78Å; L272-V308 HydrophobicContact CD1-CG2 3.73Å; L272-L311 HydrophobicContact CD1-CD1 4.3Å
273	H	73.7	Confident	72.6	Confident	65 Å²	65	15.5 Å²	15.5	30%	0.301	8%	0.082	S	C	.	.	H	α-helix	trans	-67	-30.2	176.9	-69	-75.2	0	0	0	112.3	E244 N271 A277 D294	E244-H273 IonicContact OE1-ND1 2.72Å; E244-H273 PolarHBondContact OE1-ND1 3.32Å; E244-H273 IonicContact OE2-CG 3.24Å; E244-H273 IonicContact OE2-ND1 2.54Å; E244-H273 PolarHBondContact OE2-ND1 3.37Å; N271-H273 VanDerWaalsContact C-N 3.33Å; N271-H273 PolarHBondContact O-N 3.32Å; N271-H273 PolarHBondContact OD1-N 2.89Å; H273-A277 WeakPolarHBondContact O-CB 3.11Å; H273-A277 PolarHBondContact O-N 3.49Å; H273-D294 IonicContact CE1-OD1 3.42Å; H273-D294 PolarHBondContact CE1-OD1 3.23Å; H273-D294 IonicContact CE1-OD2 2.88Å; H273-D294 IonicContact NE2-OD1 3.55Å
274	E	73.7	Confident	71.5	Confident	5 Å²	5	17.3 Å²	17.3	2%	0.023	9%	0.094	C	C	.	.	H	α-helix	trans	-68.6	-47.9	173.3	176.3	177.6	153.2	0	0	111	K242 Q269 N271 L272 W276 A277 L278	K242-E274 HydrophobicContact CB-CB 4.4Å; K242-E274 HydrophobicContact CB-CG 3.73Å; K242-E274 HydrophobicContact CD-CG 4.02Å; K242-E274 VanDerWaalsContact CD-OE1 3.26Å; K242-E274 WeakPolarHBondContact CD-OE1 3.44Å; K242-E274 WeakPolarHBondContact CD-OE2 3.1Å; K242-E274 WeakPolarHBondContact CE-OE1 3.35Å; K242-E274 HydrophobicContact CG-CG 3.63Å; K242-E274 IonicContact NZ-OE1 3.38Å; K242-E274 PolarHBondContact NZ-OE1 3.28Å; K242-E274 IonicContact NZ-OE2 3.35Å; Q269-E274 WeakPolarHBondContact CB-OE2 3.35Å; Q269-E274 PolarHBondContact N-OE1 3.29Å; N271-E274 HydrophobicContact CB-CB 3.71Å; N271-E274 WeakPolarHBondContact O-CA 3.37Å; N271-E274 VanDerWaalsContact O-CB 3.29Å; N271-E274 WeakPolarHBondContact O-CB 3.45Å; N271-E274 PolarHBondContact O-N 3.03Å; L272-E274 VanDerWaalsContact C-N 3.29Å; L272-E274 PolarHBondContact O-N 3.44Å; E274-W276 VanDerWaalsContact C-N 3.31Å; E274-W276 PolarHBondContact O-N 2.75Å; E274-A277 PolarHBondContact O-N 2.85Å; E274-L278 HydrophobicContact CG-CD1 4.14Å; E274-L278 VanDerWaalsContact O-CG 3.23Å; E274-L278 WeakPolarHBondContact O-CG 3.25Å; E274-L278 PolarHBondContact O-N 3.47Å
275	L	72.7	Confident	70.7	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.7	-42.1	177.4	-66.4	173.4	0	0	0	110.7	N271 L272 L278 L279 V308 L315	N271-L275 WeakPolarHBondContact O-CG 3.4Å; N271-L275 PolarHBondContact O-N 2.94Å; L272-L275 PolarHBondContact O-N 3.48Å; L275-L278 PolarHBondContact O-N 2.84Å; L275-L279 WeakPolarHBondContact O-CB 3.36Å; L275-L279 WeakPolarHBondContact O-CG 3.41Å; L275-L279 PolarHBondContact O-N 3.17Å; L275-V308 HydrophobicContact CD1-CG1 3.78Å; L275-L315 HydrophobicContact CD2-CD1 3.65Å
276	W	76.6	Confident	70.4	Confident	7 Å²	7	26.7 Å²	26.7	3%	0.027	14%	0.141	C	C	.	.	H	α-helix	trans	-62.7	-47.1	173.4	-176.5	87	0	0	0	112	E244 L272 E274 L278 L279 N280 F287 S289 F293	E244-W276 HydrophobicContact CB-CE3 4.14Å; E244-W276 HydrophobicContact CB-CZ3 3.79Å; E244-W276 HydrophobicContact CG-CZ3 4.41Å; L272-W276 WeakPolarHBondContact O-CB 3.39Å; L272-W276 PolarHBondContact O-N 3.15Å; E274-W276 VanDerWaalsContact C-N 3.31Å; E274-W276 PolarHBondContact O-N 2.75Å; W276-L278 PolarHBondContact O-N 3.46Å; W276-L279 PolarHBondContact O-N 3.41Å; W276-L279 VanDerWaalsContact O-N 3.15Å; W276-N280 HydrophobicContact CD2-CB 4.33Å; W276-N280 HydrophobicContact CE3-CB 4.37Å; W276-N280 HydrophobicContact CH2-CB 4.15Å; W276-N280 HydrophobicContact CZ2-CB 4.11Å; W276-N280 HydrophobicContact CZ3-CB 4.29Å; W276-N280 VanDerWaalsContact O-CB 3.27Å; W276-N280 WeakPolarHBondContact O-CB 3.3Å; W276-N280 PolarHBondContact O-N 2.87Å; W276-F287 WeakPolarHBondContact CZ2-O 3.44Å; W276-S289 VanDerWaalsContact CZ2-C 3.45Å; W276-F293 HydrophobicContact CB-CD1 3.95Å; W276-F293 HydrophobicContact CB-CE1 3.61Å; W276-F293 HydrophobicContact CB-CZ 4.08Å; W276-F293 AromaticContact CD1-CD1 3.37Å; W276-F293 AromaticContact CD1-CD2 3.48Å; W276-F293 VanDerWaalsContact CD1-CD2 3.48Å; W276-F293 AromaticContact CD1-CE1 3.66Å; W276-F293 AromaticContact CD1-CE2 3.77Å; W276-F293 AromaticContact CD1-CG 3.25Å; W276-F293 AromaticContact CD1-CZ 3.84Å; W276-F293 AromaticContact CG-CD1 3.75Å; W276-F293 HydrophobicContact CG-CD1 3.75Å; W276-F293 AromaticContact CG-CE1 3.89Å; W276-F293 HydrophobicContact CG-CE1 3.89Å; W276-F293 HydrophobicContact CG-CG 4.08Å; W276-F293 HydrophobicContact CG-CZ 4.34Å; W276-F293 AromaticContact NE1-CD2 3.99Å; W276-F293 AromaticContact NE1-CG 3.68Å
277	A	76.7	Confident	70.5	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-58.3	-37.8	178.4	0	0	0	0	0	111.8	E244 H273 E274 F281	E244-A277 HydrophobicContact CB-CB 4.12Å; H273-A277 WeakPolarHBondContact O-CB 3.11Å; H273-A277 PolarHBondContact O-N 3.49Å; E274-A277 PolarHBondContact O-N 2.85Å; A277-F281 VanDerWaalsContact O-CB 3.23Å; A277-F281 WeakPolarHBondContact O-CB 3.41Å; A277-F281 PolarHBondContact O-N 3.19Å
278	L	77.6	Confident	70.8	Confident	4 Å²	4	29.9 Å²	29.9	2%	0.021	16%	0.162	C	C	.	.	H	α-helix	trans	-70.3	-46.5	174.7	-66.5	167.5	0	0	0	111.9	L262 L268 E274 L275 W276 F281 L282	L262-L278 HydrophobicContact CD1-CD2 3.41Å; L262-L278 VanDerWaalsContact CD1-CD2 3.41Å; L268-L278 HydrophobicContact CD1-CD1 4.48Å; L268-L278 HydrophobicContact CD2-CD1 3.5Å; E274-L278 HydrophobicContact CG-CD1 4.14Å; E274-L278 VanDerWaalsContact O-CG 3.23Å; E274-L278 WeakPolarHBondContact O-CG 3.25Å; E274-L278 PolarHBondContact O-N 3.47Å; L275-L278 PolarHBondContact O-N 2.84Å; W276-L278 PolarHBondContact O-N 3.46Å; L278-F281 WeakPolarHBondContact O-CB 3.34Å; L278-F281 PolarHBondContact O-N 3.05Å; L278-L282 VanDerWaalsContact O-CG 3.29Å; L278-L282 WeakPolarHBondContact O-CG 3.28Å; L278-L282 PolarHBondContact O-N 3.46Å
279	L	75.9	Confident	71.1	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.1	-45.5	177.8	-81.1	169.2	0	0	0	112.1	L275 W276 F281 L282 M283 F287 L311 V314 L315	L275-L279 WeakPolarHBondContact O-CB 3.36Å; L275-L279 WeakPolarHBondContact O-CG 3.41Å; L275-L279 PolarHBondContact O-N 3.17Å; W276-L279 PolarHBondContact O-N 3.41Å; W276-L279 VanDerWaalsContact O-N 3.15Å; L279-F281 VanDerWaalsContact C-N 3.3Å; L279-F281 PolarHBondContact O-N 2.89Å; L279-L282 CarbonylContact O-C 3.07Å; L279-L282 PolarHBondContact O-N 3.3Å; L279-M283 HydrophobicContact CD2-CE 3.99Å; L279-M283 WeakPolarHBondContact O-CA 3.33Å; L279-M283 PolarHBondContact O-N 3.19Å; L279-F287 HydrophobicContact CB-CD2 3.97Å; L279-F287 HydrophobicContact CB-CE2 4.06Å; L279-F287 HydrophobicContact CB-CG 4.23Å; L279-F287 HydrophobicContact CB-CZ 4.39Å; L279-F287 HydrophobicContact CD1-CE1 4.35Å; L279-F287 HydrophobicContact CD1-CZ 4.15Å; L279-F287 HydrophobicContact CD2-CE2 4.2Å; L279-F287 HydrophobicContact CD2-CZ 4.47Å; L279-L311 HydrophobicContact CD1-CB 4.45Å; L279-L311 HydrophobicContact CD1-CD2 3.62Å; L279-V314 HydrophobicContact CD2-CG1 4.13Å; L279-L315 HydrophobicContact CD1-CG 4.45Å; L279-L315 HydrophobicContact CD2-CD2 3.46Å; L279-L315 VanDerWaalsContact CD2-CD2 3.46Å; L279-L315 HydrophobicContact CD2-CG 3.78Å; L279-L315 HydrophobicContact CG-CD1 4.35Å; L279-L315 HydrophobicContact CG-CD2 3.83Å; L279-L315 HydrophobicContact CG-CG 4.02Å
280	N	76.4	Confident	71.5	Confident	6 Å²	6	29.6 Å²	29.6	3%	0.032	17%	0.168	C	C	.	.	H	α-helix	trans	-60	-39.9	171.4	169.4	-92.1	0	0	0	111.7	R253 W276 L282 M283 P284 F287	R253-N280 PolarHBondContact NE-OD1 3.25Å; R253-N280 PolarHBondContact NH2-OD1 2.78Å; W276-N280 HydrophobicContact CD2-CB 4.33Å; W276-N280 HydrophobicContact CE3-CB 4.37Å; W276-N280 HydrophobicContact CH2-CB 4.15Å; W276-N280 HydrophobicContact CZ2-CB 4.11Å; W276-N280 HydrophobicContact CZ3-CB 4.29Å; W276-N280 VanDerWaalsContact O-CB 3.27Å; W276-N280 WeakPolarHBondContact O-CB 3.3Å; W276-N280 PolarHBondContact O-N 2.87Å; N280-L282 VanDerWaalsContact C-N 3.34Å; N280-L282 PolarHBondContact O-N 3.45Å; N280-M283 CarbonylContact O-C 3.47Å; N280-M283 PolarHBondContact O-N 3.14Å; N280-P284 WeakPolarHBondContact O-CA 3.45Å; N280-P284 WeakPolarHBondContact O-CB 3.42Å; N280-P284 WeakPolarHBondContact O-CD 3.33Å; N280-F287 HydrophobicContact CB-CB 3.94Å; N280-F287 WeakPolarHBondContact CB-O 3.04Å; N280-F287 PolarHBondContact ND2-O 3.4Å
281	F	77.8	Confident	71.9	Confident	1 Å²	1	35.3 Å²	35.3	0%	0.004	19%	0.194	C	C	.	.	H	α-helix	trans	-63.4	-43	176.7	178	-90.6	0	0	0	111.9	L233 I235 I241 V252 R260 L262 A277 L278 L279	L233-F281 HydrophobicContact CD2-CE2 4.27Å; L233-F281 HydrophobicContact CD2-CZ 3.83Å; I235-F281 HydrophobicContact CD1-CD2 4.45Å; I235-F281 HydrophobicContact CD1-CE1 4.27Å; I235-F281 HydrophobicContact CD1-CE2 3.4Å; I235-F281 VanDerWaalsContact CD1-CE2 3.4Å; I235-F281 HydrophobicContact CD1-CZ 3.28Å; I235-F281 HydrophobicContact CG1-CZ 4.03Å; I241-F281 HydrophobicContact CD1-CE2 4.4Å; V252-F281 HydrophobicContact CG1-CE2 3.62Å; V252-F281 HydrophobicContact CG1-CZ 4.43Å; R260-F281 HydrophobicContact CB-CE1 3.76Å; R260-F281 HydrophobicContact CB-CZ 4.1Å; R260-F281 WeakPolarHBondContact CD-O 3.22Å; R260-F281 HydrophobicContact CG-CE1 4.38Å; R260-F281 HydrophobicContact CG-CZ 4.3Å; R260-F281 PolarHBondContact NH1-O 2.89Å; L262-F281 HydrophobicContact CD1-CD1 3.63Å; L262-F281 HydrophobicContact CD1-CE1 4.12Å; L262-F281 HydrophobicContact CD1-CG 4.39Å; L262-F281 HydrophobicContact CD2-CD1 3.54Å; L262-F281 HydrophobicContact CD2-CE1 3.19Å; L262-F281 HydrophobicContact CD2-CG 4.34Å; L262-F281 HydrophobicContact CD2-CZ 3.76Å; L262-F281 HydrophobicContact CG-CD1 3.59Å; L262-F281 HydrophobicContact CG-CE1 3.52Å; A277-F281 VanDerWaalsContact O-CB 3.23Å; A277-F281 WeakPolarHBondContact O-CB 3.41Å; A277-F281 PolarHBondContact O-N 3.19Å; L278-F281 WeakPolarHBondContact O-CB 3.34Å; L278-F281 PolarHBondContact O-N 3.05Å; L279-F281 VanDerWaalsContact C-N 3.3Å; L279-F281 PolarHBondContact O-N 2.89Å
282	L	77.2	Confident	71.9	Confident	3 Å²	3	37.7 Å²	37.7	2%	0.016	21%	0.205	C	C	.	.	H	α-helix	trans	-73.1	-32.7	177.5	-66.7	174.7	0	0	0	112.7	N128 I130 L278 L279 N280 L315	N128-L282 HydrophobicContact CB-CB 4.18Å; N128-L282 HydrophobicContact CB-CD2 3.66Å; N128-L282 PolarHBondContact ND2-O 3.36Å; I130-L282 HydrophobicContact CD1-CD1 3.82Å; I130-L282 HydrophobicContact CG1-CD1 3.81Å; I130-L282 HydrophobicContact CG1-CD2 4.11Å; I130-L282 HydrophobicContact CG1-CG 4.4Å; L278-L282 VanDerWaalsContact O-CG 3.29Å; L278-L282 WeakPolarHBondContact O-CG 3.28Å; L278-L282 PolarHBondContact O-N 3.46Å; L279-L282 CarbonylContact O-C 3.07Å; L279-L282 PolarHBondContact O-N 3.3Å; N280-L282 VanDerWaalsContact C-N 3.34Å; N280-L282 PolarHBondContact O-N 3.45Å; L282-L315 HydrophobicContact CD1-CD2 4Å
283	M	74.9	Confident	71.8	Confident	39 Å²	39	37.5 Å²	37.5	19%	0.192	20%	0.203	C	C	.	.			trans	-143.7	72.4	-174.3	-66.1	-174	-73.7	0	0	109.8	L26 L279 N280 D285 L286 F287 F318	L26-M283 HydrophobicContact CD2-SD 4.42Å; L279-M283 HydrophobicContact CD2-CE 3.99Å; L279-M283 WeakPolarHBondContact O-CA 3.33Å; L279-M283 PolarHBondContact O-N 3.19Å; N280-M283 CarbonylContact O-C 3.47Å; N280-M283 PolarHBondContact O-N 3.14Å; M283-D285 VanDerWaalsContact C-N 3.29Å; M283-D285 PolarHBondContact O-N 3.39Å; M283-L286 HydrophobicContact CB-CB 4.18Å; M283-L286 HydrophobicContact CB-CD2 4.24Å; M283-L286 HydrophobicContact CE-CD2 4.21Å; M283-L286 PolarHBondContact O-N 3.27Å; M283-L286 HydrophobicContact SD-CD2 3.81Å; M283-F287 HydrophobicContact CB-CD2 4.24Å; M283-F287 HydrophobicContact CE-CD2 4.48Å; M283-F287 HydrophobicContact CE-CE2 3.83Å; M283-F287 PolarHBondContact O-N 2.72Å; M283-F318 HydrophobicContact CE-CE2 4.12Å
284	P	68.3	Low	71.6	Confident	38 Å²	38	36.7 Å²	36.7	25%	0.247	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-33.5	-172.5	23.6	-33.2	0	0	0	113.1	N280 L286 S288	N280-P284 WeakPolarHBondContact O-CA 3.45Å; N280-P284 WeakPolarHBondContact O-CB 3.42Å; N280-P284 WeakPolarHBondContact O-CD 3.33Å; P284-L286 PolarHBondContact O-N 3.04Å; P284-S288 WeakPolarHBondContact O-CA 3.32Å; P284-S288 PolarHBondContact O-N 3.16Å
285	D	68.5	Low	71.2	Confident	159 Å²	159	38.7 Å²	38.7	85%	0.85	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-27.1	-177.8	-58.5	-30.5	0	0	0	112.5	M283	M283-D285 VanDerWaalsContact C-N 3.29Å; M283-D285 PolarHBondContact O-N 3.39Å
286	L	65.6	Low	70.7	Confident	54 Å²	54	40 Å²	40	28%	0.283	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-34.5	-171.7	-164.8	63	0	0	0	112.4	L26 M283 P284	L26-L286 HydrophobicContact CD1-CD1 3.98Å; L26-L286 HydrophobicContact CD1-CD2 3.04Å; L26-L286 HydrophobicContact CD1-CG 3.68Å; L26-L286 HydrophobicContact CD2-CD2 3.45Å; L26-L286 VanDerWaalsContact CD2-CD2 3.45Å; L26-L286 HydrophobicContact CG-CD2 3.76Å; M283-L286 HydrophobicContact CB-CB 4.18Å; M283-L286 HydrophobicContact CB-CD2 4.24Å; M283-L286 HydrophobicContact CE-CD2 4.21Å; M283-L286 PolarHBondContact O-N 3.27Å; M283-L286 HydrophobicContact SD-CD2 3.81Å; P284-L286 PolarHBondContact O-N 3.04Å
287	F	68.5	Low	69.9	Low	16 Å²	16	41.2 Å²	41.2	7%	0.07	22%	0.224	C	C	.	.	S	Bend	trans	-113.9	48.8	-178.6	-67.5	-81.8	0	0	0	110.9	L23 L26 W276 L279 N280 M283	L23-F287 HydrophobicContact CD1-CE1 4Å; L23-F287 HydrophobicContact CD1-CZ 3.92Å; L26-F287 HydrophobicContact CD1-CZ 4.49Å; W276-F287 WeakPolarHBondContact CZ2-O 3.44Å; L279-F287 HydrophobicContact CB-CD2 3.97Å; L279-F287 HydrophobicContact CB-CE2 4.06Å; L279-F287 HydrophobicContact CB-CG 4.23Å; L279-F287 HydrophobicContact CB-CZ 4.39Å; L279-F287 HydrophobicContact CD1-CE1 4.35Å; L279-F287 HydrophobicContact CD1-CZ 4.15Å; L279-F287 HydrophobicContact CD2-CE2 4.2Å; L279-F287 HydrophobicContact CD2-CZ 4.47Å; N280-F287 HydrophobicContact CB-CB 3.94Å; N280-F287 WeakPolarHBondContact CB-O 3.04Å; N280-F287 PolarHBondContact ND2-O 3.4Å; M283-F287 HydrophobicContact CB-CD2 4.24Å; M283-F287 HydrophobicContact CE-CD2 4.48Å; M283-F287 HydrophobicContact CE-CE2 3.83Å; M283-F287 PolarHBondContact O-N 2.72Å
288	S	67.3	Low	69.1	Low	88 Å²	88	48.4 Å²	48.4	62%	0.615	26%	0.255	S	S	*	.			trans	-73	-31.4	-167.9	59.7	0	0	0	0	115.3	P284	P284-S288 WeakPolarHBondContact O-CA 3.32Å; P284-S288 PolarHBondContact O-N 3.16Å
289	S	68.7	Low	68.1	Low	37 Å²	37	53.1 Å²	53.1	26%	0.259	28%	0.284	S	S	.	.			trans	-118.8	122.7	-176.5	178.6	0	0	0	0	112.1	W276 E291 M292 F293	W276-S289 VanDerWaalsContact CZ2-C 3.45Å; S289-E291 VanDerWaalsContact C-N 3.29Å; S289-E291 PolarHBondContact OG-N 3.46Å; S289-M292 PolarHBondContact OG-N 2.84Å; S289-F293 PolarHBondContact O-N 3.41Å
290	S	69	Low	66.8	Low	31 Å²	31	57.7 Å²	57.7	22%	0.217	31%	0.309	C	S	.	.	H	α-helix	trans	-71.4	-27.1	171.1	62.3	0	0	0	0	111.4	F293 D294	S290-F293 CarbonylContact O-C 3.58Å; S290-F293 WeakPolarHBondContact O-CB 3.34Å; S290-F293 PolarHBondContact O-N 2.91Å; S290-D294 WeakPolarHBondContact O-CB 3.43Å; S290-D294 PolarHBondContact O-N 3Å
291	E	69.1	Low	65.8	Low	143 Å²	143	64.2 Å²	64.2	67%	0.668	34%	0.344	S	S	*	.	H	α-helix	trans	-70.9	-41.1	178.3	-66.9	-178.9	171.5	0	0	111.3	S289 F293 D294 D295	S289-E291 VanDerWaalsContact C-N 3.29Å; S289-E291 PolarHBondContact OG-N 3.46Å; E291-F293 PolarHBondContact O-N 2.82Å; E291-D294 PolarHBondContact O-N 3.14Å; E291-D295 WeakPolarHBondContact O-CB 3.46Å; E291-D295 VanDerWaalsContact O-CG 3.32Å; E291-D295 PolarHBondContact O-N 3.3Å
292	M	64	Low	64.7	Low	80 Å²	80	71.9 Å²	71.9	39%	0.394	39%	0.385	S	S	.	.	H	α-helix	trans	-64.6	-34.7	172.4	-69.9	-172.7	73.6	0	0	111.6	N15 S289 M296	N15-M292 HydrophobicContact CB-CE 3.84Å; S289-M292 PolarHBondContact OG-N 2.84Å; M292-M296 PolarHBondContact O-N 2.84Å
293	F	66.7	Low	63.8	Low	12 Å²	12	76.8 Å²	76.8	5%	0.053	41%	0.407	C	S	.	.	H	α-helix	trans	-62	-60.2	171.4	-164.5	-113	0	0	0	108.6	L272 W276 S289 S290 E291 D295 M296 F297 L311	L272-F293 HydrophobicContact CD2-CD1 4.02Å; L272-F293 HydrophobicContact CD2-CE1 3.46Å; L272-F293 VanDerWaalsContact CD2-CE1 3.46Å; L272-F293 HydrophobicContact CD2-CZ 4.38Å; L272-F293 HydrophobicContact CG-CE1 3.75Å; L272-F293 HydrophobicContact CG-CZ 4.33Å; W276-F293 HydrophobicContact CB-CD1 3.95Å; W276-F293 HydrophobicContact CB-CE1 3.61Å; W276-F293 HydrophobicContact CB-CZ 4.08Å; W276-F293 AromaticContact CD1-CD1 3.37Å; W276-F293 AromaticContact CD1-CD2 3.48Å; W276-F293 VanDerWaalsContact CD1-CD2 3.48Å; W276-F293 AromaticContact CD1-CE1 3.66Å; W276-F293 AromaticContact CD1-CE2 3.77Å; W276-F293 AromaticContact CD1-CG 3.25Å; W276-F293 AromaticContact CD1-CZ 3.84Å; W276-F293 AromaticContact CG-CD1 3.75Å; W276-F293 HydrophobicContact CG-CD1 3.75Å; W276-F293 AromaticContact CG-CE1 3.89Å; W276-F293 HydrophobicContact CG-CE1 3.89Å; W276-F293 HydrophobicContact CG-CG 4.08Å; W276-F293 HydrophobicContact CG-CZ 4.34Å; W276-F293 AromaticContact NE1-CD2 3.99Å; W276-F293 AromaticContact NE1-CG 3.68Å; S289-F293 PolarHBondContact O-N 3.41Å; S290-F293 CarbonylContact O-C 3.58Å; S290-F293 WeakPolarHBondContact O-CB 3.34Å; S290-F293 PolarHBondContact O-N 2.91Å; E291-F293 PolarHBondContact O-N 2.82Å; F293-D295 VanDerWaalsContact C-N 3.26Å; F293-D295 PolarHBondContact O-N 3.46Å; F293-D295 VanDerWaalsContact O-N 3.16Å; F293-M296 HydrophobicContact CD2-CE 3.7Å; F293-M296 HydrophobicContact CE2-CE 3.76Å; F293-M296 WeakPolarHBondContact O-CA 3.12Å; F293-M296 WeakPolarHBondContact O-CB 3.27Å; F293-M296 PolarHBondContact O-N 3.45Å; F293-F297 VanDerWaalsContact C-CD2 3.41Å; F293-F297 HydrophobicContact CB-CE2 4.33Å; F293-F297 HydrophobicContact CD1-CD2 4.17Å; F293-F297 AromaticContact CD1-CE2 3.24Å; F293-F297 HydrophobicContact CD1-CE2 3.24Å; F293-F297 AromaticContact CD1-CZ 3.84Å; F293-F297 HydrophobicContact CD1-CZ 3.84Å; F293-F297 AromaticContact CD2-CE2 3.83Å; F293-F297 HydrophobicContact CD2-CE2 3.83Å; F293-F297 HydrophobicContact CD2-CZ 4.27Å; F293-F297 HydrophobicContact CE1-CD2 4.47Å; F293-F297 AromaticContact CE1-CE2 3.33Å; F293-F297 HydrophobicContact CE1-CE2 3.33Å; F293-F297 AromaticContact CE1-CZ 3.37Å; F293-F297 HydrophobicContact CE1-CZ 3.37Å; F293-F297 AromaticContact CE2-CE2 3.89Å; F293-F297 HydrophobicContact CE2-CE2 3.89Å; F293-F297 AromaticContact CE2-CZ 3.85Å; F293-F297 HydrophobicContact CE2-CZ 3.85Å; F293-F297 HydrophobicContact CG-CD2 4.48Å; F293-F297 AromaticContact CG-CE2 3.52Å; F293-F297 HydrophobicContact CG-CE2 3.52Å; F293-F297 HydrophobicContact CG-CZ 4.27Å; F293-F297 AromaticContact CZ-CE2 3.67Å; F293-F297 HydrophobicContact CZ-CE2 3.67Å; F293-F297 AromaticContact CZ-CZ 3.39Å; F293-F297 HydrophobicContact CZ-CZ 3.39Å; F293-F297 WeakPolarHBondContact O-CD2 3.23Å; F293-F297 WeakPolarHBondContact O-CE2 3.38Å; F293-F297 PolarHBondContact O-N 2.94Å; F293-L311 HydrophobicContact CE2-CD2 4.21Å; F293-L311 HydrophobicContact CZ-CD1 3.78Å; F293-L311 HydrophobicContact CZ-CD2 4.18Å
294	D	68.3	Low	63.1	Low	48 Å²	48	80.3 Å²	80.3	26%	0.257	42%	0.423	S	S	.	.	H	α-helix	trans	-50.1	-38.6	177.1	-71.4	-11.3	0	0	0	113.7	H273 S290 E291 F297 K298	H273-D294 IonicContact CE1-OD1 3.42Å; H273-D294 PolarHBondContact CE1-OD1 3.23Å; H273-D294 IonicContact CE1-OD2 2.88Å; H273-D294 IonicContact NE2-OD1 3.55Å; S290-D294 WeakPolarHBondContact O-CB 3.43Å; S290-D294 PolarHBondContact O-N 3Å; E291-D294 PolarHBondContact O-N 3.14Å; D294-F297 WeakPolarHBondContact O-CA 3.05Å; D294-F297 VanDerWaalsContact O-CB 3.3Å; D294-F297 WeakPolarHBondContact O-CB 3.48Å; D294-F297 PolarHBondContact O-N 2.84Å; D294-K298 PolarHBondContact O-N 2.69Å
295	D	66.4	Low	62.8	Low	47 Å²	47	83.6 Å²	83.6	25%	0.251	44%	0.435	S	S	.	.	H	α-helix	trans	-71.9	-29.5	178.5	-74.9	-17.3	0	0	0	112.7	E291 F293 F297 K298 T299	E291-D295 WeakPolarHBondContact O-CB 3.46Å; E291-D295 VanDerWaalsContact O-CG 3.32Å; E291-D295 PolarHBondContact O-N 3.3Å; F293-D295 VanDerWaalsContact C-N 3.26Å; F293-D295 PolarHBondContact O-N 3.46Å; F293-D295 VanDerWaalsContact O-N 3.16Å; D295-F297 PolarHBondContact O-N 3.48Å; D295-K298 IonicContact OD1-NZ 2.71Å; D295-K298 PolarHBondContact OD1-NZ 2.92Å; D295-T299 PolarHBondContact O-OG1 2.98Å
296	M	60.3	Low	62.6	Low	26 Å²	26	78 Å²	78	13%	0.128	41%	0.408	C	S	.	.	H	α-helix	trans	-64.9	-20	165.9	-168.6	-177.7	61.2	0	0	111.9	V16 L20 M292 F293 L307	V16-M296 HydrophobicContact CG1-CB 4.03Å; V16-M296 HydrophobicContact CG1-CG 3.89Å; L20-M296 HydrophobicContact CD2-CG 4.27Å; L20-M296 HydrophobicContact CD2-SD 3.64Å; L20-M296 HydrophobicContact CG-CG 4.3Å; L20-M296 HydrophobicContact CG-SD 3.87Å; M292-M296 PolarHBondContact O-N 2.84Å; F293-M296 HydrophobicContact CD2-CE 3.7Å; F293-M296 HydrophobicContact CE2-CE 3.76Å; F293-M296 WeakPolarHBondContact O-CA 3.12Å; F293-M296 WeakPolarHBondContact O-CB 3.27Å; F293-M296 PolarHBondContact O-N 3.45Å; M296-L307 HydrophobicContact CE-CD2 3.97Å
297	F	60.4	Low	62.5	Low	33 Å²	33	76.1 Å²	76.1	15%	0.145	40%	0.399	C	S	.	.	H	α-helix	trans	-90.1	-36.2	177.4	-65.6	-86.3	0	0	0	114.1	L272 F293 D294 D295 T299 D300 L307	L272-F297 HydrophobicContact CD1-CD1 3.93Å; L272-F297 HydrophobicContact CD1-CE1 3.09Å; L272-F297 HydrophobicContact CD1-CZ 3.56Å; L272-F297 HydrophobicContact CD2-CD1 3.82Å; L272-F297 HydrophobicContact CD2-CD2 3.91Å; L272-F297 HydrophobicContact CD2-CE1 3.42Å; L272-F297 VanDerWaalsContact CD2-CE1 3.42Å; L272-F297 HydrophobicContact CD2-CE2 3.61Å; L272-F297 HydrophobicContact CD2-CG 4.08Å; L272-F297 HydrophobicContact CD2-CZ 3.35Å; L272-F297 HydrophobicContact CG-CD1 4.46Å; L272-F297 HydrophobicContact CG-CE1 3.73Å; L272-F297 HydrophobicContact CG-CE2 4.48Å; L272-F297 HydrophobicContact CG-CZ 3.78Å; F293-F297 VanDerWaalsContact C-CD2 3.41Å; F293-F297 HydrophobicContact CB-CE2 4.33Å; F293-F297 HydrophobicContact CD1-CD2 4.17Å; F293-F297 AromaticContact CD1-CE2 3.24Å; F293-F297 HydrophobicContact CD1-CE2 3.24Å; F293-F297 AromaticContact CD1-CZ 3.84Å; F293-F297 HydrophobicContact CD1-CZ 3.84Å; F293-F297 AromaticContact CD2-CE2 3.83Å; F293-F297 HydrophobicContact CD2-CE2 3.83Å; F293-F297 HydrophobicContact CD2-CZ 4.27Å; F293-F297 HydrophobicContact CE1-CD2 4.47Å; F293-F297 AromaticContact CE1-CE2 3.33Å; F293-F297 HydrophobicContact CE1-CE2 3.33Å; F293-F297 AromaticContact CE1-CZ 3.37Å; F293-F297 HydrophobicContact CE1-CZ 3.37Å; F293-F297 AromaticContact CE2-CE2 3.89Å; F293-F297 HydrophobicContact CE2-CE2 3.89Å; F293-F297 AromaticContact CE2-CZ 3.85Å; F293-F297 HydrophobicContact CE2-CZ 3.85Å; F293-F297 HydrophobicContact CG-CD2 4.48Å; F293-F297 AromaticContact CG-CE2 3.52Å; F293-F297 HydrophobicContact CG-CE2 3.52Å; F293-F297 HydrophobicContact CG-CZ 4.27Å; F293-F297 AromaticContact CZ-CE2 3.67Å; F293-F297 HydrophobicContact CZ-CE2 3.67Å; F293-F297 AromaticContact CZ-CZ 3.39Å; F293-F297 HydrophobicContact CZ-CZ 3.39Å; F293-F297 WeakPolarHBondContact O-CD2 3.23Å; F293-F297 WeakPolarHBondContact O-CE2 3.38Å; F293-F297 PolarHBondContact O-N 2.94Å; D294-F297 WeakPolarHBondContact O-CA 3.05Å; D294-F297 VanDerWaalsContact O-CB 3.3Å; D294-F297 WeakPolarHBondContact O-CB 3.48Å; D294-F297 PolarHBondContact O-N 2.84Å; D295-F297 PolarHBondContact O-N 3.48Å; F297-T299 PolarHBondContact O-N 3.44Å; F297-T299 VanDerWaalsContact O-N 3.12Å; F297-D300 PolarHBondContact O-N 3.25Å; F297-L307 HydrophobicContact CD1-CD2 4.03Å; F297-L307 HydrophobicContact CE1-CD2 3.21Å; F297-L307 HydrophobicContact CE1-CG 4.16Å; F297-L307 HydrophobicContact CE2-CD2 4.43Å; F297-L307 HydrophobicContact CZ-CD2 3.43Å; F297-L307 VanDerWaalsContact CZ-CD2 3.43Å; F297-L307 HydrophobicContact CZ-CG 4.37Å
298	K	59.6	Low	62.4	Low	152 Å²	152	75.5 Å²	75.5	66%	0.661	40%	0.396	S	S	*	.	H	α-helix	trans	-63.1	-20.7	-175.7	-73.7	178.6	-166	143.2	0	113.4	D294 D295	D294-K298 PolarHBondContact O-N 2.69Å; D295-K298 IonicContact OD1-NZ 2.71Å; D295-K298 PolarHBondContact OD1-NZ 2.92Å
299	T	56.3	Low	62.4	Low	102 Å²	102	75.5 Å²	75.5	63%	0.626	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-30.2	-174	-18.6	0	0	0	0	112.8	D295 F297	D295-T299 PolarHBondContact O-OG1 2.98Å; F297-T299 PolarHBondContact O-N 3.44Å; F297-T299 VanDerWaalsContact O-N 3.12Å
300	D	50.4	Low	62.3	Low	97 Å²	97	79.1 Å²	79.1	52%	0.519	39%	0.394	S	S	.	.			trans	-143.4	91.2	-172.7	-73.5	-43.4	0	0	0	113.5	F297 D302 H303	F297-D300 PolarHBondContact O-N 3.25Å; D300-D302 VanDerWaalsContact C-N 3.27Å; D300-D302 PolarHBondContact O-N 3.19Å; D300-H303 HydrophobicContact CB-CB 4.28Å; D300-H303 PolarHBondContact O-N 3.01Å; D300-H303 IonicContact OD2-CD2 3.63Å
301	N	54.3	Low	62.3	Low	143 Å²	143	77.6 Å²	77.6	77%	0.765	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-63.1	-26.9	178.1	-74.8	-31.8	0	0	0	113.9	H303	N301-H303 VanDerWaalsContact C-N 3.29Å; N301-H303 PolarHBondContact O-N 3.43Å
302	D	55.3	Low	62.4	Low	161 Å²	161	72.8 Å²	72.8	86%	0.861	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-78.1	-10.4	-178	-84.1	-20.1	0	0	0	113.6	D300	D300-D302 VanDerWaalsContact C-N 3.27Å; D300-D302 PolarHBondContact O-N 3.19Å
303	H	58.9	Low	62.7	Low	106 Å²	106	71.1 Å²	71.1	49%	0.491	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-103.4	1.4	-174.6	-70.5	-44.1	0	0	0	115.3	D300 N301 E305 S306 L307	D300-H303 HydrophobicContact CB-CB 4.28Å; D300-H303 PolarHBondContact O-N 3.01Å; D300-H303 IonicContact OD2-CD2 3.63Å; N301-H303 VanDerWaalsContact C-N 3.29Å; N301-H303 PolarHBondContact O-N 3.43Å; H303-E305 VanDerWaalsContact C-N 3.27Å; H303-E305 PolarHBondContact O-N 2.72Å; H303-S306 PolarHBondContact O-N 3.1Å; H303-S306 VanDerWaalsContact O-N 3.07Å; H303-S306 PolarHBondContact O-OG 3.33Å; H303-L307 PolarHBondContact O-N 3.35Å
304	E	59.3	Low	62.9	Low	114 Å²	114	70.6 Å²	70.6	53%	0.533	36%	0.358	S	S	.	.	H	α-helix	trans	-55.6	-41.8	-177.4	-161.8	-179.8	-177	0	0	111.8	L307 V308	E304-L307 PolarHBondContact O-N 3.45Å; E304-V308 WeakPolarHBondContact O-CG2 3.36Å; E304-V308 PolarHBondContact O-N 3.05Å
305	E	61.9	Low	63.2	Low	106 Å²	106	68.3 Å²	68.3	50%	0.495	35%	0.346	S	S	.	.	H	α-helix	trans	-66.4	-42.3	178	165.7	145.6	-133.5	0	0	112.5	H303 L307 Q309 L565	H303-E305 VanDerWaalsContact C-N 3.27Å; H303-E305 PolarHBondContact O-N 2.72Å; E305-L307 VanDerWaalsContact C-N 3.29Å; E305-L307 PolarHBondContact O-N 3.02Å; E305-Q309 WeakPolarHBondContact O-CG 3.5Å; E305-Q309 PolarHBondContact O-N 2.97Å; E305-Q309 VanDerWaalsContact O-N 3.16Å; E305-L565 HydrophobicContact CB-CD1 3.54Å; E305-L565 HydrophobicContact CG-CD1 3.31Å; E305-L565 WeakPolarHBondContact O-CD1 3.41Å
306	S	64.9	Low	63.6	Low	41 Å²	41	73.4 Å²	73.4	29%	0.287	37%	0.366	S	S	.	.	H	α-helix	trans	-64.1	-36.9	177.6	83.1	0	0	0	0	111.9	H303 Q309 R310	H303-S306 PolarHBondContact O-N 3.1Å; H303-S306 VanDerWaalsContact O-N 3.07Å; H303-S306 PolarHBondContact O-OG 3.33Å; S306-Q309 WeakPolarHBondContact O-CB 3.45Å; S306-Q309 PolarHBondContact O-N 2.66Å; S306-R310 WeakPolarHBondContact O-CG 3.42Å; S306-R310 PolarHBondContact O-N 3.27Å
307	L	63.4	Low	64.3	Low	15 Å²	15	73 Å²	73	8%	0.079	37%	0.365	C	S	.	.	H	α-helix	trans	-76.1	-39	-176.4	-175.2	57.6	0	0	0	111.7	L23 M296 F297 H303 E304 E305 Q309 R310 L311	L23-L307 HydrophobicContact CD2-CD1 4.07Å; M296-L307 HydrophobicContact CE-CD2 3.97Å; F297-L307 HydrophobicContact CD1-CD2 4.03Å; F297-L307 HydrophobicContact CE1-CD2 3.21Å; F297-L307 HydrophobicContact CE1-CG 4.16Å; F297-L307 HydrophobicContact CE2-CD2 4.43Å; F297-L307 HydrophobicContact CZ-CD2 3.43Å; F297-L307 VanDerWaalsContact CZ-CD2 3.43Å; F297-L307 HydrophobicContact CZ-CG 4.37Å; H303-L307 PolarHBondContact O-N 3.35Å; E304-L307 PolarHBondContact O-N 3.45Å; E305-L307 VanDerWaalsContact C-N 3.29Å; E305-L307 PolarHBondContact O-N 3.02Å; L307-Q309 VanDerWaalsContact C-N 3.28Å; L307-Q309 PolarHBondContact O-N 3.23Å; L307-R310 HydrophobicContact CD1-CB 4.41Å; L307-R310 CarbonylContact O-C 3.48Å; L307-R310 WeakPolarHBondContact O-CA 3.02Å; L307-R310 WeakPolarHBondContact O-CB 3.27Å; L307-R310 PolarHBondContact O-N 3.37Å; L307-R310 VanDerWaalsContact O-N 3.08Å; L307-L311 WeakPolarHBondContact O-CG 3.48Å; L307-L311 PolarHBondContact O-N 3.2Å
308	V	65.9	Low	65.3	Low	3 Å²	3	72 Å²	72	2%	0.018	36%	0.361	C	S	.	.	H	α-helix	trans	-63.5	-37.8	172.9	175.6	0	0	0	0	111.2	L272 L275 E304 R310 L311 H312 L565	L272-V308 HydrophobicContact CD1-CG2 3.73Å; L275-V308 HydrophobicContact CD1-CG1 3.78Å; E304-V308 WeakPolarHBondContact O-CG2 3.36Å; E304-V308 PolarHBondContact O-N 3.05Å; V308-R310 VanDerWaalsContact C-N 3.3Å; V308-R310 PolarHBondContact O-N 3.18Å; V308-L311 PolarHBondContact O-N 2.99Å; V308-H312 PolarHBondContact O-CD2 3.21Å; V308-H312 PolarHBondContact O-N 3.43Å; V308-L565 HydrophobicContact CB-CD1 4.17Å; V308-L565 HydrophobicContact CB-CD2 3.44Å; V308-L565 VanDerWaalsContact CB-CD2 3.44Å; V308-L565 HydrophobicContact CB-CG 4.12Å; V308-L565 HydrophobicContact CG1-CD1 4.47Å; V308-L565 HydrophobicContact CG1-CD2 3.21Å; V308-L565 HydrophobicContact CG1-CG 3.92Å; V308-L565 HydrophobicContact CG2-CD2 3.74Å
309	Q	66.8	Low	66.5	Low	89 Å²	89	66.5 Å²	66.5	42%	0.416	34%	0.338	S	S	.	.	H	α-helix	trans	-60.3	-40.3	171.4	-70.5	177.4	16.5	0	0	111.8	E305 S306 L307 H312 A313	E305-Q309 WeakPolarHBondContact O-CG 3.5Å; E305-Q309 PolarHBondContact O-N 2.97Å; E305-Q309 VanDerWaalsContact O-N 3.16Å; S306-Q309 WeakPolarHBondContact O-CB 3.45Å; S306-Q309 PolarHBondContact O-N 2.66Å; L307-Q309 VanDerWaalsContact C-N 3.28Å; L307-Q309 PolarHBondContact O-N 3.23Å; Q309-H312 PolarHBondContact O-N 3.33Å; Q309-A313 PolarHBondContact O-N 3.25Å
310	R	67.2	Low	67.9	Low	112 Å²	112	62.7 Å²	62.7	42%	0.423	31%	0.314	S	S	.	.	H	α-helix	trans	-63.6	-45.3	172.9	-70.8	176.4	-172.3	-168.4	4.2	112.5	S306 L307 V308 H312 A313 V314	S306-R310 WeakPolarHBondContact O-CG 3.42Å; S306-R310 PolarHBondContact O-N 3.27Å; L307-R310 HydrophobicContact CD1-CB 4.41Å; L307-R310 CarbonylContact O-C 3.48Å; L307-R310 WeakPolarHBondContact O-CA 3.02Å; L307-R310 WeakPolarHBondContact O-CB 3.27Å; L307-R310 PolarHBondContact O-N 3.37Å; L307-R310 VanDerWaalsContact O-N 3.08Å; V308-R310 VanDerWaalsContact C-N 3.3Å; V308-R310 PolarHBondContact O-N 3.18Å; R310-H312 VanDerWaalsContact C-N 3.28Å; R310-H312 PolarHBondContact O-N 3.5Å; R310-A313 WeakPolarHBondContact O-CA 3.44Å; R310-A313 WeakPolarHBondContact O-CB 3.38Å; R310-A313 PolarHBondContact O-N 3.12Å; R310-V314 WeakPolarHBondContact O-CG2 3.35Å; R310-V314 PolarHBondContact O-N 3.47Å
311	L	69.4	Low	69.6	Low	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-61.2	-39.4	177.2	-66.6	169	0	0	0	111.3	L23 L272 L279 F293 L307 V308 V314 L315	L23-L311 HydrophobicContact CD1-CD2 4.34Å; L272-L311 HydrophobicContact CD1-CD1 4.3Å; L279-L311 HydrophobicContact CD1-CB 4.45Å; L279-L311 HydrophobicContact CD1-CD2 3.62Å; F293-L311 HydrophobicContact CE2-CD2 4.21Å; F293-L311 HydrophobicContact CZ-CD1 3.78Å; F293-L311 HydrophobicContact CZ-CD2 4.18Å; L307-L311 WeakPolarHBondContact O-CG 3.48Å; L307-L311 PolarHBondContact O-N 3.2Å; V308-L311 PolarHBondContact O-N 2.99Å; L311-V314 PolarHBondContact O-N 2.94Å; L311-L315 WeakPolarHBondContact O-CB 3.09Å; L311-L315 WeakPolarHBondContact O-CG 3.38Å; L311-L315 PolarHBondContact O-N 2.99Å
312	H	70	Confident	71.1	Confident	41 Å²	41	56.9 Å²	56.9	19%	0.19	27%	0.274	C	S	.	.	H	α-helix	trans	-63.9	-39.9	171.8	-82.8	-64.1	0	0	0	112.2	N270 V308 Q309 R310 L315 K316	N270-H312 PolarHBondContact OD1-NE2 3.27Å; V308-H312 PolarHBondContact O-CD2 3.21Å; V308-H312 PolarHBondContact O-N 3.43Å; Q309-H312 PolarHBondContact O-N 3.33Å; R310-H312 VanDerWaalsContact C-N 3.28Å; R310-H312 PolarHBondContact O-N 3.5Å; H312-L315 PolarHBondContact O-N 3.47Å; H312-K316 WeakPolarHBondContact O-CB 3.23Å; H312-K316 PolarHBondContact O-N 3.31Å
313	A	70.5	Confident	72.3	Confident	46 Å²	46	52.3 Å²	52.3	38%	0.38	25%	0.249	S	C	.	.	H	α-helix	trans	-61.8	-43	174.9	0	0	0	0	0	111.7	Q309 R310 L315 K316 P317	Q309-A313 PolarHBondContact O-N 3.25Å; R310-A313 WeakPolarHBondContact O-CA 3.44Å; R310-A313 WeakPolarHBondContact O-CB 3.38Å; R310-A313 PolarHBondContact O-N 3.12Å; A313-L315 PolarHBondContact O-N 3.13Å; A313-K316 PolarHBondContact O-N 3.39Å; A313-P317 VanDerWaalsContact O-CD 3.25Å; A313-P317 WeakPolarHBondContact O-CD 3.47Å
314	V	70.5	Confident	73.2	Confident	0 Å²	0	48 Å²	48	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.9	-42	173.3	177.3	0	0	0	0	111.2	V27 L279 R310 L311 P317 F318	V27-V314 HydrophobicContact CB-CG2 4.43Å; V27-V314 HydrophobicContact CG2-CG2 3.32Å; L279-V314 HydrophobicContact CD2-CG1 4.13Å; R310-V314 WeakPolarHBondContact O-CG2 3.35Å; R310-V314 PolarHBondContact O-N 3.47Å; L311-V314 PolarHBondContact O-N 2.94Å; V314-P317 WeakPolarHBondContact O-CD 3.18Å; V314-F318 HydrophobicContact CG1-CE2 4.24Å; V314-F318 WeakPolarHBondContact O-CD2 3.3Å; V314-F318 WeakPolarHBondContact O-CE2 3.47Å
315	L	74.7	Confident	73.9	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-72.6	-30.4	-178.6	-80.7	170.6	0	0	0	113.7	I130 L275 L279 L282 L311 H312 A313 P317 F318 L319	I130-L315 HydrophobicContact CD1-CD2 4.29Å; L275-L315 HydrophobicContact CD2-CD1 3.65Å; L279-L315 HydrophobicContact CD1-CG 4.45Å; L279-L315 HydrophobicContact CD2-CD2 3.46Å; L279-L315 VanDerWaalsContact CD2-CD2 3.46Å; L279-L315 HydrophobicContact CD2-CG 3.78Å; L279-L315 HydrophobicContact CG-CD1 4.35Å; L279-L315 HydrophobicContact CG-CD2 3.83Å; L279-L315 HydrophobicContact CG-CG 4.02Å; L282-L315 HydrophobicContact CD1-CD2 4Å; L311-L315 WeakPolarHBondContact O-CB 3.09Å; L311-L315 WeakPolarHBondContact O-CG 3.38Å; L311-L315 PolarHBondContact O-N 2.99Å; H312-L315 PolarHBondContact O-N 3.47Å; A313-L315 PolarHBondContact O-N 3.13Å; L315-P317 VanDerWaalsContact C-N 3.35Å; L315-F318 CarbonylContact O-C 3.57Å; L315-F318 WeakPolarHBondContact O-CA 3.17Å; L315-F318 PolarHBondContact O-N 3.24Å; L315-L319 WeakPolarHBondContact O-CB 3.35Å; L315-L319 PolarHBondContact O-N 3.27Å
316	K	75.3	Confident	74.6	Confident	154 Å²	154	46.6 Å²	46.6	67%	0.67	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-37.5	-169.9	-172.9	177.6	-175.3	178.9	0	114	H312 A313	H312-K316 WeakPolarHBondContact O-CB 3.23Å; H312-K316 PolarHBondContact O-N 3.31Å; A313-K316 PolarHBondContact O-N 3.39Å
317	P	75.4	Confident	75.3	Confident	16 Å²	16	46.1 Å²	46.1	10%	0.104	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-32.2	175.3	-28	42.9	0	0	0	113.4	A30 A34 A313 V314 L315	A30-P317 HydrophobicContact CB-CB 4.48Å; A30-P317 HydrophobicContact CB-CG 3.84Å; A30-P317 WeakPolarHBondContact O-CG 3.14Å; A34-P317 HydrophobicContact CB-CG 4.27Å; A313-P317 VanDerWaalsContact O-CD 3.25Å; A313-P317 WeakPolarHBondContact O-CD 3.47Å; V314-P317 WeakPolarHBondContact O-CD 3.18Å; L315-P317 VanDerWaalsContact C-N 3.35Å
318	F	81.1	Confident	75.6	Confident	14 Å²	14	46.3 Å²	46.3	6%	0.061	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-9.6	178.7	-47.1	-56.9	0	0	0	113.2	A30 W118 I127 G129 I130 M283 V314 L315	A30-F318 HydrophobicContact CB-CZ 4.45Å; W118-F318 WeakPolarHBondContact CH2-O 3.4Å; W118-F318 WeakPolarHBondContact CZ2-O 3.48Å; I127-F318 HydrophobicContact CD1-CE1 4.48Å; I127-F318 HydrophobicContact CG2-CD1 3.32Å; I127-F318 HydrophobicContact CG2-CE1 3.33Å; G129-F318 CarbonylContact C-O 3.51Å; G129-F318 WeakPolarHBondContact CA-O 3.19Å; I130-F318 PolarHBondContact N-O 3.31Å; M283-F318 HydrophobicContact CE-CE2 4.12Å; V314-F318 HydrophobicContact CG1-CE2 4.24Å; V314-F318 WeakPolarHBondContact O-CD2 3.3Å; V314-F318 WeakPolarHBondContact O-CE2 3.47Å; L315-F318 CarbonylContact O-C 3.57Å; L315-F318 WeakPolarHBondContact O-CA 3.17Å; L315-F318 PolarHBondContact O-N 3.24Å
319	L	84.3	Confident	76	Confident	35 Å²	35	55.3 Å²	55.3	18%	0.183	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	120.5	-179.8	-175.6	70.2	0	0	0	110.9	I130 A132 L268 L315	I130-L319 HydrophobicContact CB-CD1 3.6Å; I130-L319 HydrophobicContact CD1-CD1 4.44Å; I130-L319 HydrophobicContact CG2-CD1 3.49Å; I130-L319 VanDerWaalsContact CG2-CD1 3.49Å; A132-L319 HydrophobicContact CB-CD1 3.53Å; L268-L319 HydrophobicContact CD1-CD1 4.01Å; L268-L319 HydrophobicContact CD1-CD2 3.94Å; L315-L319 WeakPolarHBondContact O-CB 3.35Å; L315-L319 PolarHBondContact O-N 3.27Å
320	L	86.2	Confident	76.6	Confident	22 Å²	22	60.9 Å²	60.9	12%	0.115	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	120.2	165.6	-176.8	64.3	0	0	0	109.3	W118 I130 L131 A132	W118-L320 HydrophobicContact CB-CD2 4.23Å; W118-L320 HydrophobicContact CD2-CB 3.79Å; W118-L320 HydrophobicContact CD2-CD2 3.8Å; W118-L320 HydrophobicContact CD2-CG 4.33Å; W118-L320 HydrophobicContact CE3-CB 3.71Å; W118-L320 HydrophobicContact CE3-CD2 3.6Å; W118-L320 HydrophobicContact CE3-CG 4.3Å; W118-L320 HydrophobicContact CG-CD2 4.08Å; W118-L320 HydrophobicContact CH2-CB 3.64Å; W118-L320 HydrophobicContact CZ2-CB 3.7Å; W118-L320 HydrophobicContact CZ3-CB 3.66Å; W118-L320 HydrophobicContact CZ3-CD2 4.26Å; I130-L320 PolarHBondContact O-N 2.81Å; L131-L320 HydrophobicContact CD1-CB 4.36Å; L131-L320 HydrophobicContact CD1-CD2 4.03Å; L131-L320 HydrophobicContact CD1-CG 4.39Å; A132-L320 WeakPolarHBondContact CA-O 3.46Å; A132-L320 PolarHBondContact N-O 3.06Å
321	R	86	Confident	77.2	Confident	85 Å²	85	56.8 Å²	56.8	32%	0.321	28%	0.278	S	S	.	.			trans	-138	124	178.1	179.3	161.6	-169.1	-155.3	-1	110.7	A132 I560	A132-R321 HydrophobicContact CB-CB 4.14Å; A132-R321 HydrophobicContact CB-CG 4.42Å; A132-R321 VanDerWaalsContact O-CG 3.32Å; A132-R321 WeakPolarHBondContact O-CG 3.11Å; R321-I560 VanDerWaalsContact NH1-CG1 3.33Å; R321-I560 VanDerWaalsContact NH2-CD1 3.29Å
322	R	85.5	Confident	77.9	Confident	33 Å²	33	58.1 Å²	58.1	13%	0.125	29%	0.287	C	S	.	.			trans	-130	148	176	-62.9	166	-67	-170.1	4.9	110.5	Y111 D133 E134 L137 V327	Y111-R322 PolarHBondContact O-NH1 3.4Å; D133-R322 WeakPolarHBondContact OD1-CB 3.35Å; D133-R322 IonicContact OD1-CZ 2.87Å; D133-R322 PolarHBondContact OD1-N 3.45Å; D133-R322 VanDerWaalsContact OD1-N 3.07Å; D133-R322 IonicContact OD1-NE 3.71Å; D133-R322 PolarHBondContact OD1-NE 2.92Å; D133-R322 IonicContact OD1-NH2 3.29Å; D133-R322 IonicContact OD2-CZ 3.33Å; D133-R322 IonicContact OD2-NE 3.36Å; D133-R322 PolarHBondContact OD2-NE 2.69Å; D133-R322 IonicContact OD2-NH2 3.83Å; D133-R322 PolarHBondContact OD2-NH2 3.39Å; E134-R322 PolarHBondContact N-O 2.65Å; L137-R322 HydrophobicContact CD1-CB 4.32Å; L137-R322 VanDerWaalsContact CD1-O 3.28Å; L137-R322 WeakPolarHBondContact CD1-O 3.42Å; R322-V327 HydrophobicContact CB-CG1 3.89Å; R322-V327 HydrophobicContact CG-CG1 4.22Å
323	I	80.5	Confident	78.6	Confident	65 Å²	65	60 Å²	60	33%	0.333	30%	0.303	S	S	.	.			trans	-102.8	144.3	-179.7	-54.5	174.7	0	0	0	108.3	E134 A325 D326 V327	E134-I323 WeakPolarHBondContact OE2-CA 3.35Å; E134-I323 WeakPolarHBondContact OE2-CG2 3.29Å; I323-A325 HydrophobicContact CG2-CB 4.29Å; I323-A325 PolarHBondContact O-N 3.25Å; I323-D326 PolarHBondContact O-N 3.24Å; I323-V327 PolarHBondContact O-N 3.05Å
324	K	78.1	Confident	79.5	Confident	15 Å²	15	61.1 Å²	61.1	7%	0.065	30%	0.299	C	S	.	.	H	α-helix	trans	-52.5	-44.1	179.8	-73.7	177.1	-173.6	172.9	0	112.2	E134 M135 L137 D326 V327 E328 L331 D519 H522	E134-K324 HydrophobicContact CB-CG 4.39Å; E134-K324 HydrophobicContact CG-CG 4.33Å; E134-K324 PolarHBondContact OE2-N 2.89Å; M135-K324 WeakPolarHBondContact O-CE 3.07Å; M135-K324 PolarHBondContact O-NZ 3.03Å; L137-K324 HydrophobicContact CD2-CG 3.93Å; L137-K324 HydrophobicContact CG-CG 4.09Å; K324-D326 PolarHBondContact O-N 3.04Å; K324-V327 PolarHBondContact O-N 2.8Å; K324-E328 PolarHBondContact O-N 3.22Å; K324-L331 HydrophobicContact CD-CD2 4.34Å; K324-D519 VanDerWaalsContact NZ-CG 3.26Å; K324-D519 IonicContact NZ-OD1 3.46Å; K324-D519 PolarHBondContact NZ-OD1 3.49Å; K324-D519 IonicContact NZ-OD2 3.07Å; K324-H522 PolarHBondContact NZ-O 3.33Å
325	A	74.9	Confident	80.5	Confident	82 Å²	82	67.9 Å²	67.9	68%	0.678	33%	0.328	S	S	*	.	H	α-helix	trans	-56.5	-33	179.4	0	0	0	0	0	112.7	I323	I323-A325 HydrophobicContact CG2-CB 4.29Å; I323-A325 PolarHBondContact O-N 3.25Å
326	D	76.1	Confident	81.3	Confident	109 Å²	109	71 Å²	71	58%	0.583	34%	0.343	S	S	*	.	H	α-helix	trans	-82.9	-32.2	-175.9	-57.7	-24.1	0	0	0	112.5	I323 K324	I323-D326 PolarHBondContact O-N 3.24Å; K324-D326 PolarHBondContact O-N 3.04Å
327	V	78.6	Confident	82.2	Confident	32 Å²	32	63.9 Å²	63.9	19%	0.194	31%	0.313	C	S	.	.	H	α-helix	trans	-117.6	-28	-165.9	-57.4	0	0	0	0	115.3	Y111 L137 R322 I323 K324	Y111-V327 HydrophobicContact CD1-CB 3.85Å; Y111-V327 HydrophobicContact CD1-CG2 3.99Å; Y111-V327 HydrophobicContact CD2-CB 4.46Å; Y111-V327 HydrophobicContact CD2-CG2 4.08Å; Y111-V327 HydrophobicContact CE1-CB 4.47Å; Y111-V327 HydrophobicContact CE1-CG2 4.2Å; Y111-V327 HydrophobicContact CE2-CG2 4.29Å; Y111-V327 HydrophobicContact CG-CB 3.85Å; Y111-V327 HydrophobicContact CG-CG2 3.93Å; L137-V327 HydrophobicContact CD1-CG2 3.91Å; L137-V327 HydrophobicContact CD2-CG2 3.55Å; L137-V327 HydrophobicContact CG-CG2 4.39Å; R322-V327 HydrophobicContact CB-CG1 3.89Å; R322-V327 HydrophobicContact CG-CG1 4.22Å; I323-V327 PolarHBondContact O-N 3.05Å; K324-V327 PolarHBondContact O-N 2.8Å
328	E	71.4	Confident	83.1	Confident	19 Å²	19	63.2 Å²	63.2	9%	0.089	31%	0.308	C	S	.	.			trans	-115.4	77.5	-172.8	-172.3	62.4	-103.5	0	0	110.6	Y111 L137 K324 R330 L331	Y111-E328 HydrophobicContact CE1-CB 4.31Å; Y111-E328 WeakPolarHBondContact CE1-OE2 3.38Å; Y111-E328 PolarHBondContact OH-OE2 3.4Å; L137-E328 HydrophobicContact CD2-CB 4.17Å; K324-E328 PolarHBondContact O-N 3.22Å; E328-R330 VanDerWaalsContact C-N 3.25Å; E328-R330 PolarHBondContact O-N 2.84Å; E328-L331 HydrophobicContact CG-CB 3.61Å
329	K	74.5	Confident	83.7	Confident	191 Å²	191	62.5 Å²	62.5	83%	0.83	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-12.6	178.8	-59.9	-175.3	-179.5	-176.9	0	113.7
330	R	77.4	Confident	84	Confident	207 Å²	207	62.4 Å²	62.4	78%	0.781	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-16.8	-178.1	-61.4	-174.9	-178.7	-178.4	3.3	113.6	E328 P332	E328-R330 VanDerWaalsContact C-N 3.25Å; E328-R330 PolarHBondContact O-N 2.84Å; R330-P332 WeakPolarHBondContact O-CD 3.38Å
331	L	80.5	Confident	84.3	Confident	25 Å²	25	61.8 Å²	61.8	13%	0.131	30%	0.299	C	S	.	.	S	Bend	trans	-70.9	124.9	178.8	-175.6	68.5	0	0	0	108.8	K324 E328 H522 R523 Q526	K324-L331 HydrophobicContact CD-CD2 4.34Å; E328-L331 HydrophobicContact CG-CB 3.61Å; L331-H522 WeakPolarHBondContact CD2-CE1 3.44Å; L331-H522 WeakPolarHBondContact CD2-NE2 3.4Å; L331-R523 WeakPolarHBondContact CD1-O 3.13Å; L331-Q526 HydrophobicContact CD1-CB 4.11Å
332	P	84.4	Confident	84.5	Confident	29 Å²	29	57.9 Å²	57.9	19%	0.188	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-53.2	142.7	174.4	-26.8	35.5	0	0	0	110.9	R330 H522	R330-P332 WeakPolarHBondContact O-CD 3.38Å; P332-H522 PolarHBondContact O-NE2 3.45Å
333	P	85.2	Confident	84.8	Confident	81 Å²	81	56.3 Å²	56.3	53%	0.526	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-64.9	156.1	-177.5	27.3	-33.7	0	0	0	110.8	T529 V530	P333-T529 HydrophobicContact CG-CG2 4.45Å; P333-T529 VanDerWaalsContact O-CG2 3.29Å; P333-T529 WeakPolarHBondContact O-CG2 3.38Å; P333-V530 PolarHBondContact O-N 3.29Å
334	K	89.8	Confident	85.3	Confident	68 Å²	68	53.4 Å²	53.4	30%	0.296	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	137.8	164.2	65.1	-178.7	177.4	-171.5	0	109.2	D519 H522 V530	K334-D519 IonicContact NZ-OD1 3.84Å; K334-H522 HydrophobicContact CD-CB 4.39Å; K334-V530 CarbonylContact C-O 3.49Å; K334-V530 VanDerWaalsContact CA-O 3.26Å; K334-V530 WeakPolarHBondContact CA-O 3.38Å; K334-V530 HydrophobicContact CB-CB 4.28Å
335	K	90.3	Very high	85.9	Confident	142 Å²	142	59.8 Å²	59.8	62%	0.617	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.5	115.3	173.3	-68.9	-171.3	175.9	-171.6	0	108.7	V530 V532	K335-V530 PolarHBondContact N-O 3.02Å; K335-V532 PolarHBondContact O-N 3.41Å
336	E	92	Very high	86.6	Confident	66 Å²	66	58 Å²	58	31%	0.308	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	129	174	-175.2	171.5	-174.2	0	0	109.9	V532 R534	E336-V532 CarbonylContact C-O 3.59Å; E336-V532 WeakPolarHBondContact CA-O 3.29Å; E336-V532 HydrophobicContact CB-CB 4.22Å; E336-V532 HydrophobicContact CG-CB 4.26Å; E336-V532 HydrophobicContact CG-CG1 4.23Å; E336-R534 IonicContact OE1-CZ 3.89Å; E336-R534 IonicContact OE1-NE 3.94Å; E336-R534 PolarHBondContact OE1-NE 3.22Å; E336-R534 IonicContact OE1-NH2 2.79Å; E336-R534 PolarHBondContact OE1-NH2 3.19Å; E336-R534 VanDerWaalsContact OE1-NH2 3.15Å
337	C	93.5	Very high	87.5	Confident	6 Å²	6	52.8 Å²	52.8	4%	0.041	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123.6	176.4	176.3	0	0	0	0	108.9	V532 F533 R534 E610	C337-V532 PolarHBondContact N-O 3.33Å; C337-F533 HydrophobicContact CB-CD1 4.11Å; C337-F533 HydrophobicContact CB-CE1 4.41Å; C337-F533 WeakPolarHBondContact O-CA 3.45Å; C337-R534 PolarHBondContact O-N 2.69Å; C337-E610 HydrophobicContact CB-CG 4.27Å
338	K	94.3	Very high	88	Confident	1 Å²	1	51.6 Å²	51.6	0%	0.004	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	115.2	175.8	-64.5	168.6	-170.3	143.8	0	108.6	Y340 R534 I536 E550 G609 T613 M616	K338-Y340 HydrophobicContact CB-CD2 4.41Å; K338-Y340 HydrophobicContact CB-CE2 3.75Å; K338-Y340 WeakPolarHBondContact O-CD2 3.21Å; K338-R534 HydrophobicContact CG-CB 4.44Å; K338-I536 HydrophobicContact CB-CD1 3.72Å; K338-I536 HydrophobicContact CD-CD1 4.31Å; K338-I536 HydrophobicContact CG-CD1 4.07Å; K338-E550 WeakPolarHBondContact CE-OE1 3.17Å; K338-E550 IonicContact NZ-OE1 3.69Å; K338-E550 PolarHBondContact NZ-OE1 2.83Å; K338-E550 IonicContact NZ-OE2 3.9Å; K338-E550 PolarHBondContact NZ-OE2 3.13Å; K338-G609 CarbonylContact O-C 3.5Å; K338-G609 WeakPolarHBondContact O-CA 3.48Å; K338-T613 WeakPolarHBondContact CB-OG1 3.48Å; K338-T613 HydrophobicContact CD-CG2 4.2Å; K338-T613 HydrophobicContact CG-CG2 4.27Å; K338-T613 PolarHBondContact N-OG1 2.83Å; K338-M616 HydrophobicContact CD-CE 3.21Å; K338-M616 VanDerWaalsContact CE-CE 3.46Å
339	I	94.2	Very high	88.9	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	116.5	-179.4	-49.4	173.3	0	0	0	108.3	L415 L419 F533 R534 L535 I536 I605 L606	I339-L415 HydrophobicContact CB-CD2 3.95Å; I339-L415 HydrophobicContact CD1-CD2 4.24Å; I339-L415 HydrophobicContact CG2-CD1 4.11Å; I339-L415 HydrophobicContact CG2-CD2 3.46Å; I339-L415 VanDerWaalsContact CG2-CD2 3.46Å; I339-L415 HydrophobicContact CG2-CG 4.44Å; I339-L419 HydrophobicContact CD1-CD2 4.49Å; I339-F533 HydrophobicContact CD1-CB 3.93Å; I339-F533 HydrophobicContact CD1-CD1 3.67Å; I339-F533 HydrophobicContact CD1-CG 4.08Å; I339-F533 HydrophobicContact CG1-CD1 4.31Å; I339-R534 PolarHBondContact N-O 3.11Å; I339-L535 HydrophobicContact CB-CD2 4.25Å; I339-L535 HydrophobicContact CD1-CD2 4.04Å; I339-I536 PolarHBondContact O-N 3.16Å; I339-I605 HydrophobicContact CG2-CG2 3.44Å; I339-I605 VanDerWaalsContact CG2-CG2 3.44Å; I339-L606 HydrophobicContact CD1-CD2 3.47Å; I339-L606 VanDerWaalsContact CD1-CD2 3.47Å; I339-L606 HydrophobicContact CG1-CD2 4.09Å
340	Y	91.4	Very high	89.7	Confident	32 Å²	32	46.5 Å²	46.5	13%	0.125	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	126.2	-179.1	-71.1	-93.9	0	0	0	109.4	K338 I536 E538 E543 K612 M616	K338-Y340 HydrophobicContact CB-CD2 4.41Å; K338-Y340 HydrophobicContact CB-CE2 3.75Å; K338-Y340 WeakPolarHBondContact O-CD2 3.21Å; Y340-I536 CarbonylContact C-O 3.54Å; Y340-I536 WeakPolarHBondContact CA-O 3.26Å; Y340-I536 HydrophobicContact CD1-CB 4.14Å; Y340-I536 HydrophobicContact CD1-CD1 4.39Å; Y340-I536 HydrophobicContact CD1-CG2 4.15Å; Y340-I536 HydrophobicContact CE1-CB 4.35Å; Y340-I536 HydrophobicContact CE1-CD1 3.89Å; Y340-I536 HydrophobicContact CE1-CG2 4.12Å; Y340-I536 HydrophobicContact CE2-CD1 4.17Å; Y340-E538 WeakPolarHBondContact CB-OE1 3.24Å; Y340-E538 HydrophobicContact CD1-CG 4.14Å; Y340-E538 HydrophobicContact CG-CG 4.33Å; Y340-E543 HydrophobicContact CE1-CG 4.2Å; Y340-K612 HydrophobicContact CD2-CB 4.05Å; Y340-K612 HydrophobicContact CD2-CD 3.53Å; Y340-K612 HydrophobicContact CD2-CG 4.46Å; Y340-K612 HydrophobicContact CE2-CB 3.8Å; Y340-K612 HydrophobicContact CE2-CD 3.92Å; Y340-K612 HydrophobicContact CG-CD 3.91Å; Y340-M616 WeakPolarHBondContact OH-CE 3.33Å
341	I	91.3	Very high	90.4	Very high	10 Å²	10	36.6 Å²	36.6	5%	0.051	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	140.9	-177.4	-164.8	56.3	0	0	0	112.3	G411 K412 I536 T537 E538 F597	I341-G411 WeakPolarHBondContact CG1-O 3.38Å; I341-K412 HydrophobicContact CG2-CG 4.09Å; I341-I536 PolarHBondContact N-O 3.34Å; I341-T537 CarbonylContact O-C 3.52Å; I341-T537 WeakPolarHBondContact O-CA 3.33Å; I341-E538 PolarHBondContact O-N 3.39Å; I341-F597 HydrophobicContact CD1-CD2 3.55Å; I341-F597 HydrophobicContact CD1-CE2 3.55Å; I341-F597 HydrophobicContact CG1-CD2 3.89Å; I341-F597 HydrophobicContact CG1-CE2 4Å
342	G	90.6	Very high	90.9	Very high	2 Å²	2	36.6 Å²	36.6	2%	0.021	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-70.7	161.2	178.3	0	0	0	0	0	114
343	L	91.2	Very high	91.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-70.6	137.9	170.3	-70.6	162.4	0	0	0	110.5	Q347 R348 Y351 T537 T540 I589 D596	L343-Q347 HydrophobicContact CB-CB 4.15Å; L343-Q347 HydrophobicContact CD2-CB 3.64Å; L343-R348 HydrophobicContact CB-CB 4.34Å; L343-Y351 HydrophobicContact CD1-CD2 4.49Å; L343-Y351 HydrophobicContact CD1-CG 4.47Å; L343-T537 HydrophobicContact CD2-CG2 3.52Å; L343-T537 HydrophobicContact CG-CG2 3.62Å; L343-T540 HydrophobicContact CD1-CG2 3.92Å; L343-T540 HydrophobicContact CD2-CG2 4.19Å; L343-T540 HydrophobicContact CG-CG2 4.12Å; L343-I589 HydrophobicContact CD1-CD1 3.99Å; L343-I589 HydrophobicContact CD1-CG1 4.35Å; L343-D596 PolarHBondContact O-N 2.72Å
344	S	91.6	Very high	91.3	Very high	4 Å²	4	38.6 Å²	38.6	3%	0.028	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-62.6	164.6	164.7	82	0	0	0	0	110.5	M346 Q347 R348 N409	S344-M346 VanDerWaalsContact C-N 3.31Å; S344-M346 PolarHBondContact O-N 2.76Å; S344-M346 PolarHBondContact OG-N 2.83Å; S344-Q347 PolarHBondContact O-N 3.14Å; S344-Q347 WeakPolarHBondContact OG-CB 3.49Å; S344-Q347 VanDerWaalsContact OG-CG 3.31Å; S344-Q347 WeakPolarHBondContact OG-CG 3.47Å; S344-Q347 PolarHBondContact OG-N 3.46Å; S344-Q347 PolarHBondContact OG-OE1 3.18Å; S344-R348 WeakPolarHBondContact O-CB 3.39Å; S344-R348 PolarHBondContact O-N 3.37Å; S344-N409 WeakPolarHBondContact CB-O 3.49Å; S344-N409 VanDerWaalsContact OG-C 3.27Å; S344-N409 PolarHBondContact OG-O 3.46Å
345	K	90.3	Very high	91.1	Very high	149 Å²	149	35.5 Å²	35.5	65%	0.648	17%	0.165	S	C	*	.	H	α-helix	trans	-56.4	-45.3	176.2	-174.8	177.6	-179.4	176.5	0	112.1	R348 D349	K345-R348 PolarHBondContact O-N 3.42Å; K345-D349 PolarHBondContact O-N 3.08Å
346	M	90.4	Very high	90.8	Very high	45 Å²	45	32.4 Å²	32.4	22%	0.222	15%	0.154	C	C	.	.	H	α-helix	trans	-66.4	-42.1	178.9	-172.2	176.9	-171.1	0	0	112	S344 D349 L350 P388 Y389 L394 N409	S344-M346 VanDerWaalsContact C-N 3.31Å; S344-M346 PolarHBondContact O-N 2.76Å; S344-M346 PolarHBondContact OG-N 2.83Å; M346-D349 PolarHBondContact O-N 2.97Å; M346-L350 VanDerWaalsContact O-CB 3.3Å; M346-L350 WeakPolarHBondContact O-CB 3.39Å; M346-L350 PolarHBondContact O-N 3.46Å; M346-P388 HydrophobicContact CB-CG 4.39Å; M346-P388 HydrophobicContact CE-CB 4.03Å; M346-P388 HydrophobicContact CG-CB 4.05Å; M346-P388 HydrophobicContact CG-CG 4.08Å; M346-P388 HydrophobicContact SD-CB 3.83Å; M346-P388 HydrophobicContact SD-CG 4.14Å; M346-Y389 HydrophobicContact CE-CE1 4.25Å; M346-Y389 HydrophobicContact SD-CE1 4.25Å; M346-L394 HydrophobicContact CE-CB 3.6Å; M346-L394 HydrophobicContact CE-CD1 3.98Å; M346-L394 HydrophobicContact CE-CD2 3.97Å; M346-L394 HydrophobicContact CE-CG 4.05Å; M346-N409 HydrophobicContact CB-CB 4.48Å; M346-N409 HydrophobicContact SD-CB 3.9Å
347	Q	93.7	Very high	90.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62	-44.1	175.1	-71.7	177.6	-61.8	0	0	111	L343 S344 L350 Y351 C384 C385 P388 N409 C410	L343-Q347 HydrophobicContact CB-CB 4.15Å; L343-Q347 HydrophobicContact CD2-CB 3.64Å; S344-Q347 PolarHBondContact O-N 3.14Å; S344-Q347 WeakPolarHBondContact OG-CB 3.49Å; S344-Q347 VanDerWaalsContact OG-CG 3.31Å; S344-Q347 WeakPolarHBondContact OG-CG 3.47Å; S344-Q347 PolarHBondContact OG-N 3.46Å; S344-Q347 PolarHBondContact OG-OE1 3.18Å; Q347-L350 PolarHBondContact O-N 2.79Å; Q347-Y351 VanDerWaalsContact O-CB 3.27Å; Q347-Y351 WeakPolarHBondContact O-CB 3.45Å; Q347-Y351 PolarHBondContact O-N 2.78Å; Q347-C384 WeakPolarHBondContact CG-O 3.45Å; Q347-C384 PolarHBondContact NE2-O 2.93Å; Q347-C384 PolarHBondContact O-SG 3.07Å; Q347-C385 PolarHBondContact NE2-O 2.84Å; Q347-P388 HydrophobicContact CG-CG 3.52Å; Q347-N409 WeakPolarHBondContact CG-O 3.27Å; Q347-C410 PolarHBondContact NE2-SG 3.3Å
348	R	90.4	Very high	89.6	Confident	6 Å²	6	38.4 Å²	38.4	2%	0.023	18%	0.18	C	C	.	.	H	α-helix	trans	-59.8	-50.9	177	-179.6	-176.8	-57.6	-110.1	-9.2	111.9	L343 S344 K345 L350 Y351 T352 I589 S592 D594 D596	L343-R348 HydrophobicContact CB-CB 4.34Å; S344-R348 WeakPolarHBondContact O-CB 3.39Å; S344-R348 PolarHBondContact O-N 3.37Å; K345-R348 PolarHBondContact O-N 3.42Å; R348-L350 PolarHBondContact O-N 3.28Å; R348-Y351 PolarHBondContact O-N 3.46Å; R348-T352 WeakPolarHBondContact O-CB 3.43Å; R348-T352 PolarHBondContact O-N 2.88Å; R348-T352 PolarHBondContact O-OG1 3.29Å; R348-I589 HydrophobicContact CG-CG2 4.41Å; R348-S592 PolarHBondContact NH1-O 2.89Å; R348-S592 PolarHBondContact NH1-OG 2.71Å; R348-S592 VanDerWaalsContact NH1-OG 3.1Å; R348-D594 PolarHBondContact NE-O 3.16Å; R348-D594 PolarHBondContact NH1-O 3.28Å; R348-D594 PolarHBondContact NH2-O 3.49Å; R348-D596 IonicContact CZ-OD1 3.35Å; R348-D596 IonicContact CZ-OD2 2.9Å; R348-D596 IonicContact NH1-OD1 3.92Å; R348-D596 IonicContact NH1-OD2 3.66Å; R348-D596 VanDerWaalsContact NH2-N 3.13Å; R348-D596 IonicContact NH2-OD1 2.7Å; R348-D596 PolarHBondContact NH2-OD1 3.24Å; R348-D596 IonicContact NH2-OD2 3.62Å; R348-D596 PolarHBondContact NH2-OD2 3.04Å
349	D	90.5	Very high	88.7	Confident	81 Å²	81	40.3 Å²	40.3	43%	0.433	19%	0.19	S	C	.	.	H	α-helix	trans	-58	-40.3	179.9	-77.9	-15	0	0	0	111.2	K345 M346 K353	K345-D349 PolarHBondContact O-N 3.08Å; M346-D349 PolarHBondContact O-N 2.97Å; D349-K353 WeakPolarHBondContact O-CB 3.21Å; D349-K353 WeakPolarHBondContact O-CD 3.47Å; D349-K353 WeakPolarHBondContact O-CG 3.41Å; D349-K353 PolarHBondContact O-N 2.91Å
350	L	91	Very high	87.9	Confident	22 Å²	22	44.7 Å²	44.7	12%	0.115	21%	0.213	C	C	.	.	H	α-helix	trans	-69.3	-44.8	177.5	-175.5	59.5	0	0	0	112.2	M346 Q347 R348 T352 K353 I354 C384 P388 F391 L394	M346-L350 VanDerWaalsContact O-CB 3.3Å; M346-L350 WeakPolarHBondContact O-CB 3.39Å; M346-L350 PolarHBondContact O-N 3.46Å; Q347-L350 PolarHBondContact O-N 2.79Å; R348-L350 PolarHBondContact O-N 3.28Å; L350-T352 PolarHBondContact O-N 3.29Å; L350-K353 WeakPolarHBondContact O-CB 3.48Å; L350-K353 PolarHBondContact O-N 3.05Å; L350-I354 HydrophobicContact CD1-CD1 4.44Å; L350-I354 HydrophobicContact CG-CD1 4.08Å; L350-I354 WeakPolarHBondContact O-CD1 3.5Å; L350-I354 VanDerWaalsContact O-CG1 3.25Å; L350-I354 WeakPolarHBondContact O-CG1 3.13Å; L350-I354 PolarHBondContact O-N 3.47Å; L350-C384 HydrophobicContact CD2-CB 4.44Å; L350-P388 HydrophobicContact CD2-CB 4.25Å; L350-F391 HydrophobicContact CD2-CD2 3.48Å; L350-F391 VanDerWaalsContact CD2-CD2 3.48Å; L350-F391 HydrophobicContact CD2-CE2 3.5Å; L350-F391 HydrophobicContact CD2-CG 4.03Å; L350-F391 HydrophobicContact CD2-CZ 4.09Å; L350-F391 HydrophobicContact CG-CE2 4.32Å; L350-F391 HydrophobicContact CG-CZ 4.44Å; L350-L394 HydrophobicContact CD1-CD1 4Å; L350-L394 HydrophobicContact CD2-CD1 3.64Å; L350-L394 HydrophobicContact CG-CD1 4.4Å
351	Y	92.4	Very high	87.1	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.2	-47	177.6	-158.3	-76.7	0	0	0	110.9	L343 Q347 R348 K353 I354 L355 L381 C384 T540 V541 I589	L343-Y351 HydrophobicContact CD1-CD2 4.49Å; L343-Y351 HydrophobicContact CD1-CG 4.47Å; Q347-Y351 VanDerWaalsContact O-CB 3.27Å; Q347-Y351 WeakPolarHBondContact O-CB 3.45Å; Q347-Y351 PolarHBondContact O-N 2.78Å; R348-Y351 PolarHBondContact O-N 3.46Å; Y351-K353 PolarHBondContact O-N 3.09Å; Y351-I354 PolarHBondContact O-N 3.49Å; Y351-L355 HydrophobicContact CD1-CD1 3.76Å; Y351-L355 HydrophobicContact CD1-CG 4.07Å; Y351-L355 HydrophobicContact CE1-CD1 3.7Å; Y351-L355 HydrophobicContact CE1-CD2 4.49Å; Y351-L355 HydrophobicContact CE1-CG 4.09Å; Y351-L355 PolarHBondContact O-N 3.47Å; Y351-L381 HydrophobicContact CD1-CD2 3.84Å; Y351-L381 HydrophobicContact CD2-CD2 3.85Å; Y351-L381 HydrophobicContact CE1-CD1 4.47Å; Y351-L381 HydrophobicContact CE1-CD2 3.72Å; Y351-L381 HydrophobicContact CE2-CB 3.87Å; Y351-L381 HydrophobicContact CE2-CD2 3.71Å; Y351-L381 HydrophobicContact CE2-CG 4.25Å; Y351-L381 HydrophobicContact CG-CD2 3.93Å; Y351-C384 HydrophobicContact CD2-CB 4.23Å; Y351-T540 HydrophobicContact CE2-CG2 3.91Å; Y351-V541 WeakPolarHBondContact OH-CG1 3.45Å; Y351-V541 PolarHBondContact OH-N 3.33Å; Y351-V541 VanDerWaalsContact OH-N 3.14Å; Y351-I589 HydrophobicContact CD1-CD1 3.37Å; Y351-I589 HydrophobicContact CD1-CG2 4.29Å; Y351-I589 HydrophobicContact CE1-CD1 3.28Å; Y351-I589 HydrophobicContact CG-CD1 4.09Å
352	T	89.4	Confident	86.1	Confident	24 Å²	24	43 Å²	43	15%	0.147	21%	0.206	C	C	.	.	H	α-helix	trans	-58.9	-45.3	174.3	-60.1	0	0	0	0	111.3	R348 L350 I354 L355 M356 I589 F590	R348-T352 WeakPolarHBondContact O-CB 3.43Å; R348-T352 PolarHBondContact O-N 2.88Å; R348-T352 PolarHBondContact O-OG1 3.29Å; L350-T352 PolarHBondContact O-N 3.29Å; T352-I354 VanDerWaalsContact C-N 3.35Å; T352-I354 PolarHBondContact O-N 3.24Å; T352-L355 PolarHBondContact O-N 3.15Å; T352-M356 HydrophobicContact CG2-CE 3.7Å; T352-M356 HydrophobicContact CG2-CG 4.31Å; T352-M356 HydrophobicContact CG2-SD 4.05Å; T352-M356 WeakPolarHBondContact O-CB 3.36Å; T352-M356 VanDerWaalsContact O-CG 3.27Å; T352-M356 WeakPolarHBondContact O-CG 3.47Å; T352-M356 PolarHBondContact O-N 3.07Å; T352-I589 VanDerWaalsContact OG1-CG2 3.27Å; T352-I589 WeakPolarHBondContact OG1-CG2 3.35Å; T352-F590 HydrophobicContact CG2-CD1 4.06Å; T352-F590 HydrophobicContact CG2-CE1 3.8Å
353	K	88.5	Confident	85.3	Confident	136 Å²	136	43.7 Å²	43.7	59%	0.591	21%	0.21	S	C	*	.	H	α-helix	trans	-61.9	-40.1	177.1	-77	167.2	-172.2	170.1	0	112.5	D349 L350 Y351 M356 K357	D349-K353 WeakPolarHBondContact O-CB 3.21Å; D349-K353 WeakPolarHBondContact O-CD 3.47Å; D349-K353 WeakPolarHBondContact O-CG 3.41Å; D349-K353 PolarHBondContact O-N 2.91Å; L350-K353 WeakPolarHBondContact O-CB 3.48Å; L350-K353 PolarHBondContact O-N 3.05Å; Y351-K353 PolarHBondContact O-N 3.09Å; K353-M356 PolarHBondContact O-N 3.25Å; K353-K357 VanDerWaalsContact O-CB 3.31Å; K353-K357 WeakPolarHBondContact O-CB 3.43Å; K353-K357 PolarHBondContact O-N 2.95Å
354	I	89.4	Confident	84.1	Confident	16 Å²	16	45.7 Å²	45.7	8%	0.082	22%	0.224	C	C	.	.	H	α-helix	trans	-62.7	-48.3	177	-67.5	160.5	0	0	0	109.9	L350 Y351 T352 M356 K357 D358 I377 Q380 L381 C384 F391	L350-I354 HydrophobicContact CD1-CD1 4.44Å; L350-I354 HydrophobicContact CG-CD1 4.08Å; L350-I354 WeakPolarHBondContact O-CD1 3.5Å; L350-I354 VanDerWaalsContact O-CG1 3.25Å; L350-I354 WeakPolarHBondContact O-CG1 3.13Å; L350-I354 PolarHBondContact O-N 3.47Å; Y351-I354 PolarHBondContact O-N 3.49Å; T352-I354 VanDerWaalsContact C-N 3.35Å; T352-I354 PolarHBondContact O-N 3.24Å; I354-M356 PolarHBondContact O-N 2.99Å; I354-K357 PolarHBondContact O-N 3.32Å; I354-D358 PolarHBondContact O-N 3.07Å; I354-I377 HydrophobicContact CG2-CG2 4.43Å; I354-Q380 HydrophobicContact CD1-CB 4.09Å; I354-Q380 HydrophobicContact CG1-CB 4.46Å; I354-Q380 HydrophobicContact CG2-CB 4.06Å; I354-L381 HydrophobicContact CB-CD2 3.94Å; I354-L381 HydrophobicContact CD1-CD2 4.37Å; I354-L381 HydrophobicContact CG2-CD2 3.54Å; I354-L381 HydrophobicContact CG2-CG 4.09Å; I354-C384 HydrophobicContact CD1-CB 4.07Å; I354-F391 HydrophobicContact CD1-CE1 4.01Å; I354-F391 HydrophobicContact CD1-CZ 3.66Å
355	L	87.1	Confident	82.3	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.016	25%	0.254	C	S	.	.	H	α-helix	trans	-63.4	-41.7	177.8	-69.6	179.4	0	0	0	112.6	Y351 T352 D358 I359 L381 I582 A586 F590	Y351-L355 HydrophobicContact CD1-CD1 3.76Å; Y351-L355 HydrophobicContact CD1-CG 4.07Å; Y351-L355 HydrophobicContact CE1-CD1 3.7Å; Y351-L355 HydrophobicContact CE1-CD2 4.49Å; Y351-L355 HydrophobicContact CE1-CG 4.09Å; Y351-L355 PolarHBondContact O-N 3.47Å; T352-L355 PolarHBondContact O-N 3.15Å; L355-D358 CarbonylContact O-C 3.47Å; L355-I359 WeakPolarHBondContact O-CA 3.46Å; L355-I359 PolarHBondContact O-N 3.25Å; L355-L381 HydrophobicContact CD2-CD1 4.04Å; L355-L381 HydrophobicContact CD2-CD2 4.23Å; L355-L381 HydrophobicContact CG-CD2 4.31Å; L355-I582 HydrophobicContact CD2-CG2 3.88Å; L355-A586 HydrophobicContact CD1-CB 3.75Å; L355-F590 HydrophobicContact CB-CE2 4.22Å; L355-F590 HydrophobicContact CB-CZ 3.72Å; L355-F590 HydrophobicContact CD1-CE2 3.91Å; L355-F590 HydrophobicContact CD1-CZ 4.11Å
356	M	84	Confident	80.6	Confident	78 Å²	78	45.9 Å²	45.9	38%	0.384	25%	0.246	S	C	.	.	H	α-helix	trans	-66.2	-39.3	179	-75.7	-176.6	170.9	0	0	112.9	T352 K353 I354 D358 I359 F590 P670	T352-M356 HydrophobicContact CG2-CE 3.7Å; T352-M356 HydrophobicContact CG2-CG 4.31Å; T352-M356 HydrophobicContact CG2-SD 4.05Å; T352-M356 WeakPolarHBondContact O-CB 3.36Å; T352-M356 VanDerWaalsContact O-CG 3.27Å; T352-M356 WeakPolarHBondContact O-CG 3.47Å; T352-M356 PolarHBondContact O-N 3.07Å; K353-M356 PolarHBondContact O-N 3.25Å; I354-M356 PolarHBondContact O-N 2.99Å; M356-D358 PolarHBondContact O-N 3.35Å; M356-I359 WeakPolarHBondContact O-CB 3.47Å; M356-I359 WeakPolarHBondContact O-CG2 3.44Å; M356-I359 PolarHBondContact O-N 2.84Å; M356-F590 HydrophobicContact CE-CD1 4.16Å; M356-F590 HydrophobicContact CE-CE1 3.8Å; M356-F590 HydrophobicContact CG-CE1 3.77Å; M356-F590 HydrophobicContact CG-CZ 4.26Å; M356-P670 HydrophobicContact CE-CG 3.18Å
357	K	81.7	Confident	79	Confident	171 Å²	171	51.2 Å²	51.2	74%	0.743	28%	0.276	S	S	*	.	H	α-helix	trans	-61.8	-35.6	-178.4	-177.9	-178.5	175.1	-175	0	111.9	K353 I354	K353-K357 VanDerWaalsContact O-CB 3.31Å; K353-K357 WeakPolarHBondContact O-CB 3.43Å; K353-K357 PolarHBondContact O-N 2.95Å; I354-K357 PolarHBondContact O-N 3.32Å
358	D	77.6	Confident	77.3	Confident	27 Å²	27	61.1 Å²	61.1	14%	0.144	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	26.2	-178.8	-70.2	-71.9	0	0	0	112.1	I354 L355 M356 D360 V361 V362 R373 I377	I354-D358 PolarHBondContact O-N 3.07Å; L355-D358 CarbonylContact O-C 3.47Å; M356-D358 PolarHBondContact O-N 3.35Å; D358-D360 VanDerWaalsContact C-OD1 3.32Å; D358-D360 PolarHBondContact O-N 3.39Å; D358-V361 HydrophobicContact CB-CB 4.46Å; D358-V361 HydrophobicContact CB-CG2 4.26Å; D358-V361 WeakPolarHBondContact O-CA 3.29Å; D358-V361 VanDerWaalsContact O-CB 3.26Å; D358-V361 WeakPolarHBondContact O-CB 3.08Å; D358-V361 PolarHBondContact O-N 2.97Å; D358-V362 WeakPolarHBondContact O-CG2 3.41Å; D358-V362 PolarHBondContact O-N 2.88Å; D358-V362 VanDerWaalsContact O-N 3.08Å; D358-R373 IonicContact OD1-CZ 3.9Å; D358-R373 IonicContact OD1-NE 3.65Å; D358-R373 PolarHBondContact OD1-NE 3.08Å; D358-R373 VanDerWaalsContact OD1-NE 3.16Å; D358-R373 IonicContact OD1-NH2 3.96Å; D358-R373 PolarHBondContact OD1-NH2 2.84Å; D358-I377 HydrophobicContact CB-CD1 3.56Å; D358-I377 HydrophobicContact CB-CG1 4.04Å
359	I	76.9	Confident	76.1	Confident	41 Å²	41	62 Å²	62	21%	0.21	33%	0.325	C	S	.	.	H	α-helix	trans	-61.1	-30.3	-175.3	-162.8	159.7	0	0	0	112.9	L355 M356 V361 V362 N363 P669	L355-I359 WeakPolarHBondContact O-CA 3.46Å; L355-I359 PolarHBondContact O-N 3.25Å; M356-I359 WeakPolarHBondContact O-CB 3.47Å; M356-I359 WeakPolarHBondContact O-CG2 3.44Å; M356-I359 PolarHBondContact O-N 2.84Å; I359-V361 PolarHBondContact O-N 3.36Å; I359-V362 PolarHBondContact O-N 3.29Å; I359-N363 WeakPolarHBondContact O-CB 3Å; I359-N363 PolarHBondContact O-N 2.9Å; I359-P669 HydrophobicContact CD1-CB 4.05Å; I359-P669 HydrophobicContact CD1-CG 3.78Å
360	D	76.5	Confident	75.3	Confident	92 Å²	92	62.3 Å²	62.3	49%	0.492	33%	0.327	S	S	.	.	H	α-helix	trans	-59	-37.2	173.1	63.2	-46.9	0	0	0	111.7	D358 S364 R373	D358-D360 VanDerWaalsContact C-OD1 3.32Å; D358-D360 PolarHBondContact O-N 3.39Å; D360-S364 VanDerWaalsContact O-CB 3.32Å; D360-S364 WeakPolarHBondContact O-CB 3.08Å; D360-S364 PolarHBondContact O-N 3Å; D360-S364 VanDerWaalsContact O-N 3.17Å; D360-R373 IonicContact OD1-NH2 2.94Å; D360-R373 PolarHBondContact OD1-NH2 3.36Å; D360-R373 IonicContact OD2-CZ 2.65Å; D360-R373 IonicContact OD2-NH1 2.86Å; D360-R373 PolarHBondContact OD2-NH1 2.8Å; D360-R373 IonicContact OD2-NH2 3.9Å; D360-R373 PolarHBondContact OD2-NH2 3.2Å
361	V	75.1	Confident	74.8	Confident	4 Å²	4	64.9 Å²	64.9	2%	0.024	34%	0.335	C	S	.	.	H	α-helix	trans	-75.5	-46.7	177.3	-171.9	0	0	0	0	110.8	D358 I359 N363 S364 V369 R373 L374 I377	D358-V361 HydrophobicContact CB-CB 4.46Å; D358-V361 HydrophobicContact CB-CG2 4.26Å; D358-V361 WeakPolarHBondContact O-CA 3.29Å; D358-V361 VanDerWaalsContact O-CB 3.26Å; D358-V361 WeakPolarHBondContact O-CB 3.08Å; D358-V361 PolarHBondContact O-N 2.97Å; I359-V361 PolarHBondContact O-N 3.36Å; V361-N363 VanDerWaalsContact C-N 3.29Å; V361-N363 PolarHBondContact O-N 2.97Å; V361-S364 WeakPolarHBondContact O-CB 2.87Å; V361-S364 PolarHBondContact O-N 3.16Å; V361-S364 VanDerWaalsContact O-N 3.14Å; V361-V369 HydrophobicContact CG1-CG1 3.45Å; V361-V369 VanDerWaalsContact CG1-CG1 3.45Å; V361-V369 HydrophobicContact CG1-CG2 4.28Å; V361-R373 HydrophobicContact CG2-CG 4.49Å; V361-R373 VanDerWaalsContact CG2-NE 3.32Å; V361-R373 VanDerWaalsContact CG2-NH2 3.28Å; V361-L374 HydrophobicContact CG1-CD2 3.67Å; V361-L374 HydrophobicContact CG1-CG 4.39Å; V361-I377 HydrophobicContact CB-CD1 4.2Å; V361-I377 HydrophobicContact CG1-CD1 4.05Å
362	V	69.4	Low	74.2	Confident	2 Å²	2	70.8 Å²	70.8	1%	0.012	37%	0.366	C	S	.	.	H	α-helix	trans	-66.3	-36.5	-175.6	-170.4	0	0	0	0	110.7	D358 I359 I582 R583 I667	D358-V362 WeakPolarHBondContact O-CG2 3.41Å; D358-V362 PolarHBondContact O-N 2.88Å; D358-V362 VanDerWaalsContact O-N 3.08Å; I359-V362 PolarHBondContact O-N 3.29Å; V362-I582 HydrophobicContact CG1-CG2 3.99Å; V362-I582 HydrophobicContact CG2-CG2 3.81Å; V362-R583 HydrophobicContact CG1-CG 3.73Å; V362-R583 VanDerWaalsContact O-CZ 3.27Å; V362-R583 PolarHBondContact O-NE 2.77Å; V362-R583 PolarHBondContact O-NH2 3.42Å; V362-I667 HydrophobicContact CB-CD1 4.22Å; V362-I667 HydrophobicContact CG1-CD1 3.28Å; V362-I667 HydrophobicContact CG1-CG1 4.49Å
363	N	73.2	Confident	73.8	Confident	16 Å²	16	74.4 Å²	74.4	9%	0.086	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-3.9	175.6	-71.5	-13.3	0	0	0	113.8	I359 V361 V365 W666 I667	I359-N363 WeakPolarHBondContact O-CB 3Å; I359-N363 PolarHBondContact O-N 2.9Å; V361-N363 VanDerWaalsContact C-N 3.29Å; V361-N363 PolarHBondContact O-N 2.97Å; N363-V365 PolarHBondContact O-N 3.41Å; N363-W666 HydrophobicContact CB-CE3 4.28Å; N363-W666 HydrophobicContact CB-CZ3 4.42Å; N363-I667 PolarHBondContact ND2-O 3.46Å; N363-I667 VanDerWaalsContact OD1-CB 3.27Å; N363-I667 WeakPolarHBondContact OD1-CB 3.39Å; N363-I667 PolarHBondContact OD1-N 2.7Å
364	S	65.9	Low	73.6	Confident	42 Å²	42	68.1 Å²	68.1	29%	0.294	35%	0.349	S	S	.	.			trans	-65.8	119.8	-179.3	-154.7	0	0	0	0	111	D360 V361	D360-S364 VanDerWaalsContact O-CB 3.32Å; D360-S364 WeakPolarHBondContact O-CB 3.08Å; D360-S364 PolarHBondContact O-N 3Å; D360-S364 VanDerWaalsContact O-N 3.17Å; V361-S364 WeakPolarHBondContact O-CB 2.87Å; V361-S364 PolarHBondContact O-N 3.16Å; V361-S364 VanDerWaalsContact O-N 3.14Å
365	V	55.8	Low	73.3	Confident	109 Å²	109	70.1 Å²	70.1	66%	0.661	36%	0.36	S	S	*	.			trans	-94.4	91.6	172	-176.1	0	0	0	0	107.4	N363	N363-V365 PolarHBondContact O-N 3.41Å
366	G	52.7	Low	73.2	Confident	48 Å²	48	74.3 Å²	74.3	50%	0.495	38%	0.382	S	S	.	.	S	Bend	trans	150.9	164.4	169.7	0	0	0	0	0	117.6	K368	G366-K368 PolarHBondContact O-N 2.81Å
367	N	56.8	Low	73.3	Confident	158 Å²	158	70.8 Å²	70.8	85%	0.845	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-2.3	-173.3	-78.9	-21	0	0	0	116.4	V369	N367-V369 VanDerWaalsContact C-N 3.35Å
368	K	58	Low	73.7	Confident	208 Å²	208	63.2 Å²	63.2	90%	0.904	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-10.3	-175.3	-70	-174.7	179.1	178.1	0	114.2	G366	G366-K368 PolarHBondContact O-N 2.81Å
369	V	65.1	Low	74.3	Confident	24 Å²	24	65.8 Å²	65.8	15%	0.145	35%	0.345	C	S	.	.	S	Bend	trans	-75.4	131.6	178	179.3	0	0	0	0	110.9	V361 N367 L374 K575	V361-V369 HydrophobicContact CG1-CG1 3.45Å; V361-V369 VanDerWaalsContact CG1-CG1 3.45Å; V361-V369 HydrophobicContact CG1-CG2 4.28Å; N367-V369 VanDerWaalsContact C-N 3.35Å; V369-L374 HydrophobicContact CG1-CD1 3.88Å; V369-L374 HydrophobicContact CG1-CD2 4.07Å; V369-L374 HydrophobicContact CG1-CG 3.69Å; V369-K575 PolarHBondContact O-NZ 2.91Å
370	D	74.6	Confident	75	Confident	87 Å²	87	66.1 Å²	66.1	47%	0.465	35%	0.346	S	S	.	.			trans	-71.4	127.1	174.9	-170.1	-3.1	0	0	0	110.8	L372 R373 L374	D370-L372 PolarHBondContact O-N 2.59Å; D370-L372 VanDerWaalsContact OD1-CD1 3.28Å; D370-L372 WeakPolarHBondContact OD1-CD1 3.49Å; D370-L372 PolarHBondContact OD1-N 2.96Å; D370-R373 HydrophobicContact CB-CB 4.41Å; D370-R373 PolarHBondContact O-N 2.79Å; D370-R373 VanDerWaalsContact O-N 3.12Å; D370-L374 PolarHBondContact O-N 3.43Å
371	R	80	Confident	75.8	Confident	76 Å²	76	61.8 Å²	61.8	29%	0.287	32%	0.322	S	S	.	.	H	α-helix	trans	-56.9	-36.4	176.2	-173.3	-177.1	-178.4	-157.8	4.9	110.6	R373 L374 L375 L573 K575	R371-R373 VanDerWaalsContact C-N 3.33Å; R371-R373 PolarHBondContact O-N 2.92Å; R371-L374 PolarHBondContact O-N 3.01Å; R371-L375 HydrophobicContact CG-CD1 4.02Å; R371-L375 HydrophobicContact CG-CG 4.3Å; R371-L375 WeakPolarHBondContact O-CB 3.36Å; R371-L375 VanDerWaalsContact O-CG 3.3Å; R371-L375 WeakPolarHBondContact O-CG 3.39Å; R371-L375 PolarHBondContact O-N 3.37Å; R371-L573 PolarHBondContact NE-O 2.86Å; R371-L573 PolarHBondContact NH2-O 2.97Å; R371-K575 HydrophobicContact CB-CD 4.42Å; R371-K575 HydrophobicContact CB-CG 3.96Å; R371-K575 HydrophobicContact CG-CG 4.1Å
372	L	80	Confident	76.7	Confident	124 Å²	124	62.8 Å²	62.8	65%	0.649	33%	0.326	S	S	*	.	H	α-helix	trans	-63.9	-38.8	-179.7	-75.7	88.2	0	0	0	111.7	D370 L375 N376	D370-L372 PolarHBondContact O-N 2.59Å; D370-L372 VanDerWaalsContact OD1-CD1 3.28Å; D370-L372 WeakPolarHBondContact OD1-CD1 3.49Å; D370-L372 PolarHBondContact OD1-N 2.96Å; L372-L375 PolarHBondContact O-N 2.82Å; L372-N376 PolarHBondContact O-N 2.96Å
373	R	81.5	Confident	77.9	Confident	100 Å²	100	65.2 Å²	65.2	38%	0.377	34%	0.336	S	S	.	.	H	α-helix	trans	-65.9	-44.3	177.2	-167.6	174.1	178.6	-161	-8.4	110.8	D358 D360 V361 D370 R371 N376 I377	D358-R373 IonicContact OD1-CZ 3.9Å; D358-R373 IonicContact OD1-NE 3.65Å; D358-R373 PolarHBondContact OD1-NE 3.08Å; D358-R373 VanDerWaalsContact OD1-NE 3.16Å; D358-R373 IonicContact OD1-NH2 3.96Å; D358-R373 PolarHBondContact OD1-NH2 2.84Å; D360-R373 IonicContact OD1-NH2 2.94Å; D360-R373 PolarHBondContact OD1-NH2 3.36Å; D360-R373 IonicContact OD2-CZ 2.65Å; D360-R373 IonicContact OD2-NH1 2.86Å; D360-R373 PolarHBondContact OD2-NH1 2.8Å; D360-R373 IonicContact OD2-NH2 3.9Å; D360-R373 PolarHBondContact OD2-NH2 3.2Å; V361-R373 HydrophobicContact CG2-CG 4.49Å; V361-R373 VanDerWaalsContact CG2-NE 3.32Å; V361-R373 VanDerWaalsContact CG2-NH2 3.28Å; D370-R373 HydrophobicContact CB-CB 4.41Å; D370-R373 PolarHBondContact O-N 2.79Å; D370-R373 VanDerWaalsContact O-N 3.12Å; R371-R373 VanDerWaalsContact C-N 3.33Å; R371-R373 PolarHBondContact O-N 2.92Å; R373-N376 WeakPolarHBondContact O-CB 3.37Å; R373-N376 PolarHBondContact O-N 3.25Å; R373-I377 HydrophobicContact CG-CD1 4.46Å; R373-I377 WeakPolarHBondContact O-CG1 3.47Å; R373-I377 PolarHBondContact O-N 3.32Å
374	L	83.1	Confident	78.9	Confident	4 Å²	4	64.5 Å²	64.5	2%	0.021	33%	0.332	C	S	.	.	H	α-helix	trans	-61.3	-44.3	175.6	-70.4	173.8	0	0	0	112.5	V361 V369 D370 R371 N376 I377 L378 V578 L579 I582	V361-L374 HydrophobicContact CG1-CD2 3.67Å; V361-L374 HydrophobicContact CG1-CG 4.39Å; V369-L374 HydrophobicContact CG1-CD1 3.88Å; V369-L374 HydrophobicContact CG1-CD2 4.07Å; V369-L374 HydrophobicContact CG1-CG 3.69Å; D370-L374 PolarHBondContact O-N 3.43Å; R371-L374 PolarHBondContact O-N 3.01Å; L374-N376 VanDerWaalsContact C-N 3.28Å; L374-N376 PolarHBondContact O-N 3.37Å; L374-I377 PolarHBondContact O-N 3.27Å; L374-L378 WeakPolarHBondContact O-CB 3.38Å; L374-L378 PolarHBondContact O-N 3.15Å; L374-V578 HydrophobicContact CB-CB 4.4Å; L374-V578 HydrophobicContact CB-CG1 3.7Å; L374-L579 HydrophobicContact CD2-CD1 3.99Å; L374-I582 HydrophobicContact CB-CD1 4.42Å; L374-I582 HydrophobicContact CD2-CD1 3.94Å
375	L	83.3	Confident	80.3	Confident	58 Å²	58	62.5 Å²	62.5	30%	0.304	32%	0.318	S	S	.	.	H	α-helix	trans	-63.3	-35	176.5	-71.3	173.8	0	0	0	112.1	R371 L372 M379 V578	R371-L375 HydrophobicContact CG-CD1 4.02Å; R371-L375 HydrophobicContact CG-CG 4.3Å; R371-L375 WeakPolarHBondContact O-CB 3.36Å; R371-L375 VanDerWaalsContact O-CG 3.3Å; R371-L375 WeakPolarHBondContact O-CG 3.39Å; R371-L375 PolarHBondContact O-N 3.37Å; L372-L375 PolarHBondContact O-N 2.82Å; L375-M379 WeakPolarHBondContact O-CB 3.11Å; L375-M379 PolarHBondContact O-N 2.73Å; L375-V578 HydrophobicContact CD2-CG2 4.08Å
376	N	85.1	Confident	82.2	Confident	91 Å²	91	57.3 Å²	57.3	49%	0.487	29%	0.287	S	S	.	.	H	α-helix	trans	-67	-46.4	173.9	-171.8	14.7	0	0	0	111.4	L372 R373 L374 L378 M379 Q380	L372-N376 PolarHBondContact O-N 2.96Å; R373-N376 WeakPolarHBondContact O-CB 3.37Å; R373-N376 PolarHBondContact O-N 3.25Å; L374-N376 VanDerWaalsContact C-N 3.28Å; L374-N376 PolarHBondContact O-N 3.37Å; N376-L378 VanDerWaalsContact C-N 3.35Å; N376-L378 PolarHBondContact O-N 2.8Å; N376-M379 WeakPolarHBondContact O-CB 3.18Å; N376-M379 PolarHBondContact O-N 3.48Å; N376-M379 VanDerWaalsContact O-N 3.11Å; N376-Q380 WeakPolarHBondContact O-CG 3.37Å; N376-Q380 PolarHBondContact O-N 2.94Å; N376-Q380 PolarHBondContact OD1-NE2 3.25Å; N376-Q380 VanDerWaalsContact OD1-NE2 3.16Å
377	I	87.5	Confident	84.3	Confident	4 Å²	4	55 Å²	55	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-56.9	-50.4	175.9	-64.6	162.9	0	0	0	110	I354 D358 V361 R373 L374 M379 Q380 L381 I582	I354-I377 HydrophobicContact CG2-CG2 4.43Å; D358-I377 HydrophobicContact CB-CD1 3.56Å; D358-I377 HydrophobicContact CB-CG1 4.04Å; V361-I377 HydrophobicContact CB-CD1 4.2Å; V361-I377 HydrophobicContact CG1-CD1 4.05Å; R373-I377 HydrophobicContact CG-CD1 4.46Å; R373-I377 WeakPolarHBondContact O-CG1 3.47Å; R373-I377 PolarHBondContact O-N 3.32Å; L374-I377 PolarHBondContact O-N 3.27Å; I377-M379 PolarHBondContact O-N 3.49Å; I377-Q380 PolarHBondContact O-N 2.91Å; I377-L381 HydrophobicContact CG2-CD1 4.05Å; I377-L381 HydrophobicContact CG2-CG 4.32Å; I377-L381 WeakPolarHBondContact O-CG 3.47Å; I377-L381 PolarHBondContact O-N 3.37Å; I377-I582 HydrophobicContact CB-CD1 4.06Å; I377-I582 HydrophobicContact CG2-CD1 3.91Å; I377-I582 HydrophobicContact CG2-CG1 4.29Å; I377-I582 HydrophobicContact CG2-CG2 4.13Å
378	L	88.5	Confident	86.1	Confident	12 Å²	12	47.5 Å²	47.5	6%	0.063	22%	0.223	C	C	.	.	H	α-helix	trans	-55.7	-41.6	177	-178	63.6	0	0	0	111.7	L374 N376 L381 R382 V541 L573 V578 M581 I582	L374-L378 WeakPolarHBondContact O-CB 3.38Å; L374-L378 PolarHBondContact O-N 3.15Å; N376-L378 VanDerWaalsContact C-N 3.35Å; N376-L378 PolarHBondContact O-N 2.8Å; L378-L381 PolarHBondContact O-N 2.98Å; L378-R382 WeakPolarHBondContact O-CG 3.39Å; L378-R382 PolarHBondContact O-N 3.42Å; L378-V541 HydrophobicContact CD1-CB 3.77Å; L378-V541 HydrophobicContact CD1-CG1 3.66Å; L378-V541 HydrophobicContact CD1-CG2 4.19Å; L378-L573 HydrophobicContact CD2-CD1 4.49Å; L378-V578 HydrophobicContact CB-CG1 4.3Å; L378-V578 HydrophobicContact CD2-CG1 4.16Å; L378-M581 HydrophobicContact CD2-CE 3.91Å; L378-I582 HydrophobicContact CB-CD1 4.45Å; L378-I582 HydrophobicContact CB-CG1 4.45Å
379	M	90.6	Very high	87.8	Confident	82 Å²	82	38 Å²	38	40%	0.404	18%	0.181	S	C	.	.	H	α-helix	trans	-63.6	-41.6	176	-176	59.5	67.3	0	0	112.4	L375 N376 I377 R382 K383 M436	L375-M379 WeakPolarHBondContact O-CB 3.11Å; L375-M379 PolarHBondContact O-N 2.73Å; N376-M379 WeakPolarHBondContact O-CB 3.18Å; N376-M379 PolarHBondContact O-N 3.48Å; N376-M379 VanDerWaalsContact O-N 3.11Å; I377-M379 PolarHBondContact O-N 3.49Å; M379-R382 PolarHBondContact O-N 3.21Å; M379-K383 WeakPolarHBondContact O-CG 3.22Å; M379-K383 PolarHBondContact O-N 2.9Å; M379-M436 HydrophobicContact SD-CE 3.78Å
380	Q	92.1	Very high	89.2	Confident	48 Å²	48	37.1 Å²	37.1	22%	0.224	18%	0.176	C	C	.	.	H	α-helix	trans	-65.4	-42.1	175.9	-58.4	-56.3	-30.9	0	0	111.5	I354 N376 I377 R382 K383 C384 F391	I354-Q380 HydrophobicContact CD1-CB 4.09Å; I354-Q380 HydrophobicContact CG1-CB 4.46Å; I354-Q380 HydrophobicContact CG2-CB 4.06Å; N376-Q380 WeakPolarHBondContact O-CG 3.37Å; N376-Q380 PolarHBondContact O-N 2.94Å; N376-Q380 PolarHBondContact OD1-NE2 3.25Å; N376-Q380 VanDerWaalsContact OD1-NE2 3.16Å; I377-Q380 PolarHBondContact O-N 2.91Å; Q380-R382 VanDerWaalsContact C-N 3.32Å; Q380-R382 PolarHBondContact O-N 3.15Å; Q380-K383 WeakPolarHBondContact O-CB 3.37Å; Q380-K383 PolarHBondContact O-N 2.84Å; Q380-C384 PolarHBondContact O-N 3.16Å; Q380-F391 HydrophobicContact CB-CE1 4.28Å; Q380-F391 HydrophobicContact CB-CZ 4.27Å; Q380-F391 WeakPolarHBondContact O-CZ 3.39Å
381	L	92.9	Very high	90	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.2	-41.7	176.6	-63.7	176.6	0	0	0	111.3	Y351 I354 L355 I377 L378 C384 C385 V541 I582	Y351-L381 HydrophobicContact CD1-CD2 3.84Å; Y351-L381 HydrophobicContact CD2-CD2 3.85Å; Y351-L381 HydrophobicContact CE1-CD1 4.47Å; Y351-L381 HydrophobicContact CE1-CD2 3.72Å; Y351-L381 HydrophobicContact CE2-CB 3.87Å; Y351-L381 HydrophobicContact CE2-CD2 3.71Å; Y351-L381 HydrophobicContact CE2-CG 4.25Å; Y351-L381 HydrophobicContact CG-CD2 3.93Å; I354-L381 HydrophobicContact CB-CD2 3.94Å; I354-L381 HydrophobicContact CD1-CD2 4.37Å; I354-L381 HydrophobicContact CG2-CD2 3.54Å; I354-L381 HydrophobicContact CG2-CG 4.09Å; L355-L381 HydrophobicContact CD2-CD1 4.04Å; L355-L381 HydrophobicContact CD2-CD2 4.23Å; L355-L381 HydrophobicContact CG-CD2 4.31Å; I377-L381 HydrophobicContact CG2-CD1 4.05Å; I377-L381 HydrophobicContact CG2-CG 4.32Å; I377-L381 WeakPolarHBondContact O-CG 3.47Å; I377-L381 PolarHBondContact O-N 3.37Å; L378-L381 PolarHBondContact O-N 2.98Å; L381-C384 WeakPolarHBondContact O-CB 3.28Å; L381-C384 PolarHBondContact O-N 2.82Å; L381-C385 PolarHBondContact O-N 3.22Å; L381-C385 PolarHBondContact O-SG 3.26Å; L381-V541 HydrophobicContact CB-CG1 4.15Å; L381-V541 HydrophobicContact CB-CG2 3.87Å; L381-V541 HydrophobicContact CD1-CG1 3.63Å; L381-I582 HydrophobicContact CD1-CB 4.47Å; L381-I582 HydrophobicContact CD1-CG1 4.19Å; L381-I582 HydrophobicContact CD1-CG2 4.08Å
382	R	94.1	Very high	90.3	Very high	25 Å²	25	37.2 Å²	37.2	9%	0.094	18%	0.181	C	C	.	.	H	α-helix	trans	-61.2	-43.6	172.7	-73.3	-174.9	66.9	170.7	6.1	113.1	L378 M379 Q380 C384 C385 N386 M436 D506 S507 V541 I545	L378-R382 WeakPolarHBondContact O-CG 3.39Å; L378-R382 PolarHBondContact O-N 3.42Å; M379-R382 PolarHBondContact O-N 3.21Å; Q380-R382 VanDerWaalsContact C-N 3.32Å; Q380-R382 PolarHBondContact O-N 3.15Å; R382-C384 VanDerWaalsContact C-N 3.27Å; R382-C384 PolarHBondContact O-N 2.95Å; R382-C385 PolarHBondContact O-N 2.75Å; R382-N386 PolarHBondContact O-N 3.13Å; R382-M436 HydrophobicContact CB-CE 3.84Å; R382-D506 IonicContact NH2-OD2 3.68Å; R382-S507 PolarHBondContact NH2-O 2.95Å; R382-V541 HydrophobicContact CG-CG2 4.33Å; R382-I545 HydrophobicContact CG-CD1 4.18Å
383	K	94.9	Very high	90.5	Very high	54 Å²	54	35.2 Å²	35.2	24%	0.235	19%	0.19	C	C	.	.	H	α-helix	trans	-57.9	-43.6	174	-72.2	177.5	-179.1	-173	0	110.8	M379 Q380 C385 N386 H387 L390 F391 M436	M379-K383 WeakPolarHBondContact O-CG 3.22Å; M379-K383 PolarHBondContact O-N 2.9Å; Q380-K383 WeakPolarHBondContact O-CB 3.37Å; Q380-K383 PolarHBondContact O-N 2.84Å; K383-C385 PolarHBondContact O-N 3.49Å; K383-N386 PolarHBondContact O-N 2.85Å; K383-H387 CarbonylContact O-C 3.52Å; K383-H387 PolarHBondContact O-N 3.39Å; K383-L390 HydrophobicContact CB-CB 4.08Å; K383-L390 HydrophobicContact CB-CD1 4.07Å; K383-L390 HydrophobicContact CD-CB 4.48Å; K383-L390 HydrophobicContact CG-CB 4.33Å; K383-L390 HydrophobicContact CG-CD1 4.23Å; K383-F391 HydrophobicContact CB-CD2 4.5Å; K383-F391 HydrophobicContact CB-CE2 3.65Å; K383-F391 HydrophobicContact CB-CZ 3.87Å; K383-M436 HydrophobicContact CG-CE 4.02Å; K383-M436 HydrophobicContact CG-SD 3.85Å
384	C	94.7	Very high	90.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60.9	-43.7	178.5	-171.5	0	0	0	0	112.1	Q347 L350 Y351 I354 Q380 L381 R382 N386 F391	Q347-C384 WeakPolarHBondContact CG-O 3.45Å; Q347-C384 PolarHBondContact NE2-O 2.93Å; Q347-C384 PolarHBondContact O-SG 3.07Å; L350-C384 HydrophobicContact CD2-CB 4.44Å; Y351-C384 HydrophobicContact CD2-CB 4.23Å; I354-C384 HydrophobicContact CD1-CB 4.07Å; Q380-C384 PolarHBondContact O-N 3.16Å; L381-C384 WeakPolarHBondContact O-CB 3.28Å; L381-C384 PolarHBondContact O-N 2.82Å; R382-C384 VanDerWaalsContact C-N 3.27Å; R382-C384 PolarHBondContact O-N 2.95Å; C384-N386 VanDerWaalsContact C-N 3.32Å; C384-N386 PolarHBondContact O-N 2.91Å; C384-F391 HydrophobicContact CB-CE2 4.16Å; C384-F391 HydrophobicContact CB-CZ 4.33Å
385	C	95.4	Very high	90.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.7	-35.4	175	-60.4	0	0	0	0	112.5	Q347 L381 R382 K383 E542	Q347-C385 PolarHBondContact NE2-O 2.84Å; L381-C385 PolarHBondContact O-N 3.22Å; L381-C385 PolarHBondContact O-SG 3.26Å; R382-C385 PolarHBondContact O-N 2.75Å; K383-C385 PolarHBondContact O-N 3.49Å; C385-E542 HydrophobicContact CB-CG 4.09Å
386	N	95.5	Very high	90.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-72.3	-53.4	179.1	-81.4	-1.3	0	0	0	113.3	R382 K383 C384 L390 C410 K412 M439 Y505 D506	R382-N386 PolarHBondContact O-N 3.13Å; K383-N386 PolarHBondContact O-N 2.85Å; C384-N386 VanDerWaalsContact C-N 3.32Å; C384-N386 PolarHBondContact O-N 2.91Å; N386-L390 HydrophobicContact CB-CD1 3.76Å; N386-C410 PolarHBondContact O-SG 2.72Å; N386-K412 PolarHBondContact OD1-NZ 2.67Å; N386-K412 VanDerWaalsContact OD1-NZ 3.16Å; N386-M439 HydrophobicContact CB-CG 4.28Å; N386-M439 HydrophobicContact CB-SD 3.93Å; N386-Y505 HydrophobicContact CB-CE1 4.18Å; N386-Y505 PolarHBondContact O-OH 3.38Å; N386-D506 PolarHBondContact ND2-OD2 2.9Å; N386-D506 WeakPolarHBondContact OD1-CB 3.4Å
387	H	96.6	Very high	90.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.199	C	C	.	.			trans	-171.8	138.8	173.6	-159.3	-90.2	0	0	0	112.1	K383 Y389 L390 L406 C410 M439 I442	K383-H387 CarbonylContact O-C 3.52Å; K383-H387 PolarHBondContact O-N 3.39Å; H387-Y389 VanDerWaalsContact C-N 3.28Å; H387-Y389 AromaticContact CE1-CD1 3.84Å; H387-Y389 AromaticContact CE1-CD2 3.3Å; H387-Y389 WeakPolarHBondContact CE1-CD2 3.39Å; H387-Y389 AromaticContact CE1-CE2 3.69Å; H387-Y389 AromaticContact CE1-CG 3.35Å; H387-Y389 VanDerWaalsContact ND1-CB 3.35Å; H387-Y389 WeakPolarHBondContact ND1-CB 3.39Å; H387-Y389 AromaticContact ND1-CD2 3.76Å; H387-Y389 AromaticContact ND1-CG 3.43Å; H387-Y389 PolarHBondContact ND1-N 2.87Å; H387-Y389 PolarHBondContact O-N 3.09Å; H387-L390 HydrophobicContact CB-CG 4.35Å; H387-L390 WeakPolarHBondContact O-CB 3.14Å; H387-L390 PolarHBondContact O-N 3.44Å; H387-L406 PolarHBondContact NE2-O 2.76Å; H387-C410 WeakPolarHBondContact CD2-CB 3.37Å; H387-M439 HydrophobicContact CB-CE 3.99Å; H387-M439 HydrophobicContact CB-SD 3.51Å; H387-M439 VanDerWaalsContact CB-SD 3.51Å; H387-I442 HydrophobicContact CB-CD1 3.92Å
388	P	95	Very high	89.9	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-58.6	-32	174.5	-26.4	35.7	0	0	0	115	M346 Q347 L350 L390 F391 L394 N409	M346-P388 HydrophobicContact CB-CG 4.39Å; M346-P388 HydrophobicContact CE-CB 4.03Å; M346-P388 HydrophobicContact CG-CB 4.05Å; M346-P388 HydrophobicContact CG-CG 4.08Å; M346-P388 HydrophobicContact SD-CB 3.83Å; M346-P388 HydrophobicContact SD-CG 4.14Å; Q347-P388 HydrophobicContact CG-CG 3.52Å; L350-P388 HydrophobicContact CD2-CB 4.25Å; P388-L390 PolarHBondContact O-N 3.42Å; P388-L390 VanDerWaalsContact O-N 3.15Å; P388-F391 WeakPolarHBondContact O-CB 3.34Å; P388-F391 WeakPolarHBondContact O-CD2 3.46Å; P388-F391 PolarHBondContact O-N 3.33Å; P388-L394 HydrophobicContact CB-CD1 4.35Å; P388-N409 WeakPolarHBondContact CD-O 3.13Å; P388-N409 HydrophobicContact CG-CB 4.48Å; P388-N409 VanDerWaalsContact CG-O 3.24Å; P388-N409 WeakPolarHBondContact CG-O 3.4Å
389	Y	94	Very high	89.3	Confident	9 Å²	9	43 Å²	43	4%	0.035	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-73.5	-1.8	-178.5	-55.4	-11.9	0	0	0	114.2	M346 H387 F391 L394 E395 P396 H405 L406 N409	M346-Y389 HydrophobicContact CE-CE1 4.25Å; M346-Y389 HydrophobicContact SD-CE1 4.25Å; H387-Y389 VanDerWaalsContact C-N 3.28Å; H387-Y389 AromaticContact CE1-CD1 3.84Å; H387-Y389 AromaticContact CE1-CD2 3.3Å; H387-Y389 WeakPolarHBondContact CE1-CD2 3.39Å; H387-Y389 AromaticContact CE1-CE2 3.69Å; H387-Y389 AromaticContact CE1-CG 3.35Å; H387-Y389 VanDerWaalsContact ND1-CB 3.35Å; H387-Y389 WeakPolarHBondContact ND1-CB 3.39Å; H387-Y389 AromaticContact ND1-CD2 3.76Å; H387-Y389 AromaticContact ND1-CG 3.43Å; H387-Y389 PolarHBondContact ND1-N 2.87Å; H387-Y389 PolarHBondContact O-N 3.09Å; Y389-F391 PolarHBondContact O-N 2.98Å; Y389-L394 HydrophobicContact CD1-CB 4.42Å; Y389-E395 HydrophobicContact CD1-CB 3.94Å; Y389-E395 HydrophobicContact CD1-CG 4.45Å; Y389-E395 HydrophobicContact CD2-CB 3.92Å; Y389-E395 HydrophobicContact CD2-CG 3.59Å; Y389-E395 HydrophobicContact CE1-CB 4.36Å; Y389-E395 HydrophobicContact CE2-CB 4.34Å; Y389-E395 HydrophobicContact CE2-CG 3.82Å; Y389-E395 HydrophobicContact CG-CB 3.73Å; Y389-E395 HydrophobicContact CG-CG 3.96Å; Y389-P396 VanDerWaalsContact OH-CD 3.24Å; Y389-P396 WeakPolarHBondContact OH-CD 2.86Å; Y389-H405 AromaticContact CE2-CE1 3.9Å; Y389-H405 AromaticContact CE2-ND1 3.34Å; Y389-H405 VanDerWaalsContact CE2-ND1 3.34Å; Y389-H405 WeakPolarHBondContact CE2-ND1 3.21Å; Y389-H405 AromaticContact CZ-ND1 3.56Å; Y389-H405 PolarHBondContact OH-ND1 3.4Å; Y389-H405 PolarHBondContact OH-O 2.92Å; Y389-L406 HydrophobicContact CD2-CD2 4.01Å; Y389-L406 HydrophobicContact CE2-CD2 3.91Å; Y389-N409 PolarHBondContact OH-ND2 2.83Å
390	L	93.5	Very high	88.8	Confident	6 Å²	6	45.6 Å²	45.6	3%	0.031	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-68.2	-7.5	163.9	-66.9	176.3	0	0	0	112.9	K383 N386 H387 P388 M436 R438 M439 I442	K383-L390 HydrophobicContact CB-CB 4.08Å; K383-L390 HydrophobicContact CB-CD1 4.07Å; K383-L390 HydrophobicContact CD-CB 4.48Å; K383-L390 HydrophobicContact CG-CB 4.33Å; K383-L390 HydrophobicContact CG-CD1 4.23Å; N386-L390 HydrophobicContact CB-CD1 3.76Å; H387-L390 HydrophobicContact CB-CG 4.35Å; H387-L390 WeakPolarHBondContact O-CB 3.14Å; H387-L390 PolarHBondContact O-N 3.44Å; P388-L390 PolarHBondContact O-N 3.42Å; P388-L390 VanDerWaalsContact O-N 3.15Å; L390-M436 HydrophobicContact CD1-SD 3.99Å; L390-R438 HydrophobicContact CD2-CB 3.59Å; L390-M439 HydrophobicContact CD1-CB 4.36Å; L390-M439 HydrophobicContact CD1-SD 4.26Å; L390-M439 HydrophobicContact CD2-CB 4.35Å; L390-I442 HydrophobicContact CD2-CD1 3.89Å; L390-I442 HydrophobicContact CG-CD1 4.07Å
391	F	92.6	Very high	88.5	Confident	33 Å²	33	46.7 Å²	46.7	15%	0.145	28%	0.282	C	S	.	.	S	Bend	trans	-106.3	127.6	172.8	-61.3	-102.5	0	0	0	109.8	L350 I354 Q380 K383 C384 P388 Y389 L394	L350-F391 HydrophobicContact CD2-CD2 3.48Å; L350-F391 VanDerWaalsContact CD2-CD2 3.48Å; L350-F391 HydrophobicContact CD2-CE2 3.5Å; L350-F391 HydrophobicContact CD2-CG 4.03Å; L350-F391 HydrophobicContact CD2-CZ 4.09Å; L350-F391 HydrophobicContact CG-CE2 4.32Å; L350-F391 HydrophobicContact CG-CZ 4.44Å; I354-F391 HydrophobicContact CD1-CE1 4.01Å; I354-F391 HydrophobicContact CD1-CZ 3.66Å; Q380-F391 HydrophobicContact CB-CE1 4.28Å; Q380-F391 HydrophobicContact CB-CZ 4.27Å; Q380-F391 WeakPolarHBondContact O-CZ 3.39Å; K383-F391 HydrophobicContact CB-CD2 4.5Å; K383-F391 HydrophobicContact CB-CE2 3.65Å; K383-F391 HydrophobicContact CB-CZ 3.87Å; C384-F391 HydrophobicContact CB-CE2 4.16Å; C384-F391 HydrophobicContact CB-CZ 4.33Å; P388-F391 WeakPolarHBondContact O-CB 3.34Å; P388-F391 WeakPolarHBondContact O-CD2 3.46Å; P388-F391 PolarHBondContact O-N 3.33Å; Y389-F391 PolarHBondContact O-N 2.98Å; F391-L394 HydrophobicContact CB-CD1 3.82Å; F391-L394 HydrophobicContact CB-CG 4.21Å; F391-L394 HydrophobicContact CG-CD1 4.43Å; F391-L394 PolarHBondContact O-N 3.36Å
392	D	85.8	Confident	88.1	Confident	132 Å²	132	49.6 Å²	49.6	71%	0.706	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	137.3	-174.5	-48.2	-36.9	0	0	0	110.8	R438	D392-R438 IonicContact OD1-CZ 2.64Å; D392-R438 IonicContact OD1-NH1 3.89Å; D392-R438 PolarHBondContact OD1-NH1 3.15Å; D392-R438 IonicContact OD1-NH2 3.98Å; D392-R438 PolarHBondContact OD1-NH2 3.1Å
393	G	83.8	Confident	87.8	Confident	81 Å²	81	52 Å²	52	84%	0.835	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	2.1	179.1	0	0	0	0	0	116
394	L	87.2	Confident	87.6	Confident	61 Å²	61	53.9 Å²	53.9	32%	0.319	32%	0.324	S	S	.	.			trans	-90.8	-24.1	173.5	-72.8	-168.7	0	0	0	113.8	M346 L350 P388 Y389 F391	M346-L394 HydrophobicContact CE-CB 3.6Å; M346-L394 HydrophobicContact CE-CD1 3.98Å; M346-L394 HydrophobicContact CE-CD2 3.97Å; M346-L394 HydrophobicContact CE-CG 4.05Å; L350-L394 HydrophobicContact CD1-CD1 4Å; L350-L394 HydrophobicContact CD2-CD1 3.64Å; L350-L394 HydrophobicContact CG-CD1 4.4Å; P388-L394 HydrophobicContact CB-CD1 4.35Å; Y389-L394 HydrophobicContact CD1-CB 4.42Å; F391-L394 HydrophobicContact CB-CD1 3.82Å; F391-L394 HydrophobicContact CB-CG 4.21Å; F391-L394 HydrophobicContact CG-CD1 4.43Å; F391-L394 PolarHBondContact O-N 3.36Å
395	E	86.8	Confident	87.4	Confident	49 Å²	49	55.4 Å²	55.4	23%	0.229	33%	0.331	C	S	.	.	S	Bend	trans	-73.6	132.3	177.5	-173.3	169.9	-171.2	0	0	110.8	Y389 G397 F400	Y389-E395 HydrophobicContact CD1-CB 3.94Å; Y389-E395 HydrophobicContact CD1-CG 4.45Å; Y389-E395 HydrophobicContact CD2-CB 3.92Å; Y389-E395 HydrophobicContact CD2-CG 3.59Å; Y389-E395 HydrophobicContact CE1-CB 4.36Å; Y389-E395 HydrophobicContact CE2-CB 4.34Å; Y389-E395 HydrophobicContact CE2-CG 3.82Å; Y389-E395 HydrophobicContact CG-CB 3.73Å; Y389-E395 HydrophobicContact CG-CG 3.96Å; E395-G397 PolarHBondContact O-N 2.98Å; E395-F400 HydrophobicContact CB-CE1 4.45Å; E395-F400 HydrophobicContact CG-CD1 3.93Å; E395-F400 HydrophobicContact CG-CE1 4.33Å
396	P	82.8	Confident	87.3	Confident	61 Å²	61	55.4 Å²	55.4	40%	0.396	33%	0.331	S	S	.	.			trans	-64.1	122.4	175.2	25.7	-32.1	0	0	0	110.2	Y389 H405	Y389-P396 VanDerWaalsContact OH-CD 3.24Å; Y389-P396 WeakPolarHBondContact OH-CD 2.86Å; P396-H405 HydrophobicContact CG-CB 4.42Å
397	G	78.3	Confident	87.2	Confident	42 Å²	42	55.7 Å²	55.7	43%	0.433	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	147	-173.4	179.2	0	0	0	0	0	112	E395	E395-G397 PolarHBondContact O-N 2.98Å
398	P	72	Confident	86.9	Confident	113 Å²	113	59.8 Å²	59.8	73%	0.734	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	cis	-66.1	157.4	-9.3	25.2	-32.2	0	0	0	113.6
399	P	77.5	Confident	86.8	Confident	107 Å²	107	61.7 Å²	61.7	70%	0.695	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	cis	-71.3	140.5	-3	30.9	-34.1	0	0	0	111.4	T401	P399-T401 PolarHBondContact O-N 2.81Å
400	F	80	Confident	86.8	Confident	136 Å²	136	61.3 Å²	61.3	60%	0.596	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	125.7	172.8	-58.2	-66.7	0	0	0	108.4	E395	E395-F400 HydrophobicContact CB-CE1 4.45Å; E395-F400 HydrophobicContact CG-CD1 3.93Å; E395-F400 HydrophobicContact CG-CE1 4.33Å
401	T	84.4	Confident	86.8	Confident	71 Å²	71	61 Å²	61	44%	0.436	36%	0.362	S	S	.	.			trans	-115.4	149.5	-178.3	52.8	0	0	0	0	110.2	P399 H405	P399-T401 PolarHBondContact O-N 2.81Å; T401-H405 PolarHBondContact O-CE1 3.16Å; T401-H405 PolarHBondContact O-NE2 3.3Å; T401-H405 PolarHBondContact OG1-NE2 2.76Å
402	T	86.3	Confident	87	Confident	62 Å²	62	59.4 Å²	59.4	38%	0.38	36%	0.355	S	S	.	.			trans	-100.5	96.8	172.4	60.1	0	0	0	0	109	D445	T402-D445 HydrophobicContact CG2-CB 3.8Å
403	D	87.2	Confident	87.4	Confident	75 Å²	75	53.1 Å²	53.1	40%	0.401	32%	0.321	S	S	.	.	S	Bend	trans	-148.9	-173.4	-177.6	-160.3	6.4	0	0	0	112	H405 L406	D403-H405 PolarHBondContact O-N 3.43Å; D403-L406 WeakPolarHBondContact O-CB 3.41Å; D403-L406 PolarHBondContact O-N 3.33Å
404	H	90.1	Very high	87.9	Confident	94 Å²	94	51 Å²	51	44%	0.435	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.7	-31.3	-176.3	-79.1	-83.2	0	0	0	115.4	L406 V407 D408 W449	H404-L406 PolarHBondContact O-N 3.03Å; H404-L406 VanDerWaalsContact O-N 3.12Å; H404-V407 PolarHBondContact O-N 3.25Å; H404-D408 VanDerWaalsContact O-CG 3.26Å; H404-D408 PolarHBondContact O-N 3.15Å; H404-W449 VanDerWaalsContact CA-CH2 3.47Å; H404-W449 HydrophobicContact CB-CH2 4.24Å; H404-W449 HydrophobicContact CB-CZ2 4.38Å; H404-W449 AromaticContact CD2-CZ2 3.68Å; H404-W449 AromaticContact CG-CH2 3.79Å; H404-W449 AromaticContact CG-CZ2 3.79Å; H404-W449 VanDerWaalsContact N-CZ2 3.32Å; H404-W449 AromaticContact ND1-CH2 3.76Å; H404-W449 AromaticContact NE2-CZ2 3.88Å
405	H	91.6	Very high	88.2	Confident	31 Å²	31	48 Å²	48	14%	0.144	28%	0.275	C	S	.	.	H	α-helix	trans	-59.2	-24.5	178.3	68.7	85	0	0	0	114	Y389 P396 T401 D403 N409	Y389-H405 AromaticContact CE2-CE1 3.9Å; Y389-H405 AromaticContact CE2-ND1 3.34Å; Y389-H405 VanDerWaalsContact CE2-ND1 3.34Å; Y389-H405 WeakPolarHBondContact CE2-ND1 3.21Å; Y389-H405 AromaticContact CZ-ND1 3.56Å; Y389-H405 PolarHBondContact OH-ND1 3.4Å; Y389-H405 PolarHBondContact OH-O 2.92Å; P396-H405 HydrophobicContact CG-CB 4.42Å; T401-H405 PolarHBondContact O-CE1 3.16Å; T401-H405 PolarHBondContact O-NE2 3.3Å; T401-H405 PolarHBondContact OG1-NE2 2.76Å; D403-H405 PolarHBondContact O-N 3.43Å; H405-N409 WeakPolarHBondContact O-CB 3.43Å; H405-N409 PolarHBondContact O-ND2 3.23Å
406	L	92.2	Very high	88.6	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-61.1	-49.4	171.1	-67.3	170.3	0	0	0	109.8	H387 Y389 D403 H404 L413 I442 D445	H387-L406 PolarHBondContact NE2-O 2.76Å; Y389-L406 HydrophobicContact CD2-CD2 4.01Å; Y389-L406 HydrophobicContact CE2-CD2 3.91Å; D403-L406 WeakPolarHBondContact O-CB 3.41Å; D403-L406 PolarHBondContact O-N 3.33Å; H404-L406 PolarHBondContact O-N 3.03Å; H404-L406 VanDerWaalsContact O-N 3.12Å; L406-L413 HydrophobicContact CB-CD2 4.05Å; L406-L413 WeakPolarHBondContact O-CD2 3.41Å; L406-I442 HydrophobicContact CD2-CG2 4.17Å; L406-D445 HydrophobicContact CD1-CB 4.23Å
407	V	93	Very high	89.2	Confident	5 Å²	5	44.4 Å²	44.4	3%	0.03	25%	0.253	C	S	.	.	H	α-helix	trans	-75.1	-51.2	-175.9	176.7	0	0	0	0	110.8	H404 N409 C410 L413 M414 D417 Y446 W449	H404-V407 PolarHBondContact O-N 3.25Å; V407-N409 PolarHBondContact O-N 2.93Å; V407-C410 PolarHBondContact O-N 3.28Å; V407-L413 HydrophobicContact CG2-CD2 4.23Å; V407-L413 HydrophobicContact CG2-CG 4.14Å; V407-M414 HydrophobicContact CG1-CB 4.22Å; V407-M414 HydrophobicContact CG1-CG 3.81Å; V407-M414 WeakPolarHBondContact O-CG 3.38Å; V407-D417 HydrophobicContact CG1-CB 3.85Å; V407-D417 HydrophobicContact CG2-CB 4.19Å; V407-Y446 HydrophobicContact CG2-CD2 3.82Å; V407-Y446 HydrophobicContact CG2-CE2 3.82Å; V407-W449 HydrophobicContact CG2-CH2 4.37Å; V407-W449 HydrophobicContact CG2-CZ3 3.67Å
408	D	91.5	Very high	90	Very high	87 Å²	87	44.9 Å²	44.9	47%	0.465	24%	0.244	S	C	.	.	H	α-helix	trans	-61	-26.4	-171.3	-62.6	-19	0	0	0	113.5	H404	H404-D408 VanDerWaalsContact O-CG 3.26Å; H404-D408 PolarHBondContact O-N 3.15Å
409	N	92.1	Very high	91.1	Very high	40 Å²	40	39.6 Å²	39.6	21%	0.214	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-0.1	-178.4	-69	-55.2	0	0	0	113.6	S344 M346 Q347 P388 Y389 H405 V407	S344-N409 WeakPolarHBondContact CB-O 3.49Å; S344-N409 VanDerWaalsContact OG-C 3.27Å; S344-N409 PolarHBondContact OG-O 3.46Å; M346-N409 HydrophobicContact CB-CB 4.48Å; M346-N409 HydrophobicContact SD-CB 3.9Å; Q347-N409 WeakPolarHBondContact CG-O 3.27Å; P388-N409 WeakPolarHBondContact CD-O 3.13Å; P388-N409 HydrophobicContact CG-CB 4.48Å; P388-N409 VanDerWaalsContact CG-O 3.24Å; P388-N409 WeakPolarHBondContact CG-O 3.4Å; Y389-N409 PolarHBondContact OH-ND2 2.83Å; H405-N409 WeakPolarHBondContact O-CB 3.43Å; H405-N409 PolarHBondContact O-ND2 3.23Å; V407-N409 PolarHBondContact O-N 2.93Å
410	C	94.9	Very high	92	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.176	C	C	.	.			trans	-142.7	116.7	-178.2	-178.9	0	0	0	0	114.1	Q347 N386 H387 V407 K412 L413 M414	Q347-C410 PolarHBondContact NE2-SG 3.3Å; N386-C410 PolarHBondContact O-SG 2.72Å; H387-C410 WeakPolarHBondContact CD2-CB 3.37Å; V407-C410 PolarHBondContact O-N 3.28Å; C410-K412 VanDerWaalsContact C-N 3.3Å; C410-K412 PolarHBondContact O-N 3.01Å; C410-L413 HydrophobicContact CB-CB 4.02Å; C410-L413 PolarHBondContact O-N 3.47Å; C410-M414 WeakPolarHBondContact O-CG 3.29Å; C410-M414 PolarHBondContact O-N 3.5Å
411	G	93.2	Very high	92.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-57.6	-37.4	-178.6	0	0	0	0	0	114.2	I341 M414 L415	I341-G411 WeakPolarHBondContact CG1-O 3.38Å; G411-M414 PolarHBondContact O-N 2.71Å; G411-L415 PolarHBondContact O-N 3.28Å
412	K	95.7	Very high	93.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-67.6	-38	175.9	-69.7	-173.6	-177.3	-175	0	112.6	I341 N386 C410 L415 L416 Y505 L535 T537 E542	I341-K412 HydrophobicContact CG2-CG 4.09Å; N386-K412 PolarHBondContact OD1-NZ 2.67Å; N386-K412 VanDerWaalsContact OD1-NZ 3.16Å; C410-K412 VanDerWaalsContact C-N 3.3Å; C410-K412 PolarHBondContact O-N 3.01Å; K412-L415 WeakPolarHBondContact O-CB 3.36Å; K412-L415 PolarHBondContact O-N 3.5Å; K412-L416 PolarHBondContact O-N 3.37Å; K412-Y505 HydrophobicContact CB-CE1 4.47Å; K412-Y505 HydrophobicContact CB-CE2 3.77Å; K412-Y505 WeakPolarHBondContact CB-OH 3.46Å; K412-Y505 HydrophobicContact CD-CD1 4.38Å; K412-Y505 HydrophobicContact CD-CE1 3.97Å; K412-Y505 HydrophobicContact CD-CE2 4.39Å; K412-Y505 PolarHBondContact NZ-O 3.37Å; K412-L535 HydrophobicContact CB-CD1 4.39Å; K412-L535 HydrophobicContact CD-CB 4.36Å; K412-L535 HydrophobicContact CG-CB 4.44Å; K412-T537 WeakPolarHBondContact CE-OG1 3.19Å; K412-E542 WeakPolarHBondContact CE-OE2 3.32Å; K412-E542 IonicContact NZ-OE1 3.36Å; K412-E542 PolarHBondContact NZ-OE1 2.92Å; K412-E542 IonicContact NZ-OE2 3.62Å; K412-E542 PolarHBondContact NZ-OE2 3.07Å
413	L	95.4	Very high	93.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-74.5	-34	178.7	-159.6	61.7	0	0	0	111.3	L406 V407 C410 L415 L416 D417 L443 Y446	L406-L413 HydrophobicContact CB-CD2 4.05Å; L406-L413 WeakPolarHBondContact O-CD2 3.41Å; V407-L413 HydrophobicContact CG2-CD2 4.23Å; V407-L413 HydrophobicContact CG2-CG 4.14Å; C410-L413 HydrophobicContact CB-CB 4.02Å; C410-L413 PolarHBondContact O-N 3.47Å; L413-L415 VanDerWaalsContact C-N 3.3Å; L413-L415 PolarHBondContact O-N 2.92Å; L413-L416 HydrophobicContact CD1-CB 4.31Å; L413-L416 HydrophobicContact CD1-CD1 3.99Å; L413-L416 PolarHBondContact O-N 2.93Å; L413-D417 WeakPolarHBondContact O-CB 3.24Å; L413-D417 PolarHBondContact O-N 3.47Å; L413-L443 HydrophobicContact CD1-CD2 3.67Å; L413-Y446 HydrophobicContact CD1-CD1 4.16Å; L413-Y446 HydrophobicContact CD1-CD2 4.04Å; L413-Y446 HydrophobicContact CD1-CE2 4.46Å; L413-Y446 HydrophobicContact CD1-CG 3.89Å; L413-Y446 HydrophobicContact CD2-CD2 4.15Å; L413-Y446 HydrophobicContact CD2-CG 4.34Å; L413-Y446 HydrophobicContact CG-CD2 4.1Å; L413-Y446 HydrophobicContact CG-CG 4.39Å
414	M	94	Very high	93.9	Very high	35 Å²	35	27.3 Å²	27.3	17%	0.172	13%	0.134	C	C	.	.	H	α-helix	trans	-57.5	-42.3	167.7	-61.9	176.2	84.8	0	0	112.1	V407 C410 G411 D417 K418 F597	V407-M414 HydrophobicContact CG1-CB 4.22Å; V407-M414 HydrophobicContact CG1-CG 3.81Å; V407-M414 WeakPolarHBondContact O-CG 3.38Å; C410-M414 WeakPolarHBondContact O-CG 3.29Å; C410-M414 PolarHBondContact O-N 3.5Å; G411-M414 PolarHBondContact O-N 2.71Å; M414-D417 PolarHBondContact O-N 2.97Å; M414-K418 PolarHBondContact O-N 2.9Å; M414-F597 HydrophobicContact CB-CD2 4.4Å; M414-F597 HydrophobicContact CB-CE2 3.52Å; M414-F597 HydrophobicContact CB-CZ 3.63Å; M414-F597 HydrophobicContact CE-CD1 3.51Å; M414-F597 HydrophobicContact CE-CD2 4.36Å; M414-F597 HydrophobicContact CE-CE1 3.19Å; M414-F597 HydrophobicContact CE-CE2 4.09Å; M414-F597 HydrophobicContact CE-CG 4.1Å; M414-F597 HydrophobicContact CE-CZ 3.52Å; M414-F597 HydrophobicContact CG-CE2 4.24Å; M414-F597 HydrophobicContact CG-CZ 4.3Å; M414-F597 HydrophobicContact SD-CD1 3.94Å; M414-F597 HydrophobicContact SD-CD2 3.79Å; M414-F597 HydrophobicContact SD-CE1 3.93Å; M414-F597 HydrophobicContact SD-CE2 3.75Å; M414-F597 HydrophobicContact SD-CG 3.88Å; M414-F597 HydrophobicContact SD-CZ 3.83Å
415	L	94.1	Very high	94.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.5	-44.3	175.5	177.1	63.7	0	0	0	111.9	I339 G411 K412 L413 D417 K418 L419 L535 I602 I605	I339-L415 HydrophobicContact CB-CD2 3.95Å; I339-L415 HydrophobicContact CD1-CD2 4.24Å; I339-L415 HydrophobicContact CG2-CD1 4.11Å; I339-L415 HydrophobicContact CG2-CD2 3.46Å; I339-L415 VanDerWaalsContact CG2-CD2 3.46Å; I339-L415 HydrophobicContact CG2-CG 4.44Å; G411-L415 PolarHBondContact O-N 3.28Å; K412-L415 WeakPolarHBondContact O-CB 3.36Å; K412-L415 PolarHBondContact O-N 3.5Å; L413-L415 VanDerWaalsContact C-N 3.3Å; L413-L415 PolarHBondContact O-N 2.92Å; L415-D417 VanDerWaalsContact C-N 3.3Å; L415-D417 PolarHBondContact O-N 3.37Å; L415-K418 PolarHBondContact O-N 3.44Å; L415-L419 VanDerWaalsContact O-CB 3.27Å; L415-L419 WeakPolarHBondContact O-CB 3.38Å; L415-L419 PolarHBondContact O-N 3.48Å; L415-L535 HydrophobicContact CD2-CD1 4.32Å; L415-L535 HydrophobicContact CD2-CD2 3.52Å; L415-L535 HydrophobicContact CD2-CG 4.4Å; L415-L535 HydrophobicContact CG-CD2 4.48Å; L415-I602 HydrophobicContact CD1-CD1 3.49Å; L415-I602 VanDerWaalsContact CD1-CD1 3.49Å; L415-I605 HydrophobicContact CD1-CG2 3.9Å
416	L	95.3	Very high	94.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.7	-40	175.5	-80.5	-173.3	0	0	0	112.2	K412 L413 K418 L419 L420 L432 L443 I503 Y505 L535	K412-L416 PolarHBondContact O-N 3.37Å; L413-L416 HydrophobicContact CD1-CB 4.31Å; L413-L416 HydrophobicContact CD1-CD1 3.99Å; L413-L416 PolarHBondContact O-N 2.93Å; L416-K418 PolarHBondContact O-N 3.44Å; L416-L419 PolarHBondContact O-N 2.82Å; L416-L420 HydrophobicContact CB-CD1 4.27Å; L416-L420 HydrophobicContact CD2-CD1 4.44Å; L416-L420 HydrophobicContact CD2-CG 4.32Å; L416-L420 WeakPolarHBondContact O-CB 3.43Å; L416-L420 WeakPolarHBondContact O-CG 3.47Å; L416-L420 PolarHBondContact O-N 3.15Å; L416-L432 HydrophobicContact CD1-CD1 4.44Å; L416-L432 HydrophobicContact CD1-CD2 4.34Å; L416-L432 HydrophobicContact CD2-CD1 4.44Å; L416-L443 HydrophobicContact CD1-CD2 3.75Å; L416-I503 HydrophobicContact CD2-CD1 3.87Å; L416-I503 HydrophobicContact CD2-CG2 4.1Å; L416-Y505 HydrophobicContact CD1-CD2 3.63Å; L416-Y505 HydrophobicContact CD1-CE2 3.52Å; L416-Y505 HydrophobicContact CG-CD2 4.34Å; L416-Y505 HydrophobicContact CG-CE2 4.21Å; L416-L535 HydrophobicContact CD2-CD1 4.16Å; L416-L535 HydrophobicContact CG-CD1 4.13Å
417	D	95.2	Very high	94.1	Very high	33 Å²	33	36 Å²	36	18%	0.176	19%	0.189	C	C	.	.	H	α-helix	trans	-61.7	-32	179.3	-163	51	0	0	0	112.5	V407 L413 M414 L415 P421 Y446 R450	V407-D417 HydrophobicContact CG1-CB 3.85Å; V407-D417 HydrophobicContact CG2-CB 4.19Å; L413-D417 WeakPolarHBondContact O-CB 3.24Å; L413-D417 PolarHBondContact O-N 3.47Å; M414-D417 PolarHBondContact O-N 2.97Å; L415-D417 VanDerWaalsContact C-N 3.3Å; L415-D417 PolarHBondContact O-N 3.37Å; D417-P421 WeakPolarHBondContact O-CD 3.41Å; D417-P421 WeakPolarHBondContact O-CG 3.45Å; D417-Y446 WeakPolarHBondContact CA-OH 3.44Å; D417-Y446 HydrophobicContact CB-CE2 4.2Å; D417-Y446 WeakPolarHBondContact OD1-CE2 3.45Å; D417-Y446 PolarHBondContact OD1-OH 2.88Å; D417-R450 VanDerWaalsContact CG-NH2 3.3Å; D417-R450 IonicContact OD1-CZ 3.6Å; D417-R450 VanDerWaalsContact OD1-CZ 3.31Å; D417-R450 IonicContact OD1-NE 2.83Å; D417-R450 PolarHBondContact OD1-NE 3.24Å; D417-R450 IonicContact OD1-NH2 3.34Å; D417-R450 PolarHBondContact OD1-NH2 3.08Å; D417-R450 VanDerWaalsContact OD1-NH2 3.09Å; D417-R450 IonicContact OD2-CZ 2.77Å; D417-R450 IonicContact OD2-NE 3.84Å; D417-R450 IonicContact OD2-NH2 3.16Å; D417-R450 PolarHBondContact OD2-NH2 3.5Å
418	K	93.8	Very high	94.2	Very high	53 Å²	53	36.1 Å²	36.1	23%	0.23	19%	0.19	C	C	.	.	H	α-helix	trans	-82	-38.9	172.2	-65.3	179.7	175.6	-176.1	0	113	M414 L415 L416 D599 E600 I602	M414-K418 PolarHBondContact O-N 2.9Å; L415-K418 PolarHBondContact O-N 3.44Å; L416-K418 PolarHBondContact O-N 3.44Å; K418-D599 WeakPolarHBondContact CE-OD1 3.4Å; K418-D599 IonicContact NZ-OD1 2.73Å; K418-D599 PolarHBondContact NZ-OD1 3.09Å; K418-E600 PolarHBondContact NZ-O 2.91Å; K418-I602 HydrophobicContact CB-CB 4.14Å; K418-I602 HydrophobicContact CB-CD1 4.23Å; K418-I602 HydrophobicContact CB-CG1 4.37Å
419	L	95.2	Very high	94.4	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-75.3	-46	-173	-178.6	60	0	0	0	112.5	I339 L415 L416 K422 L423 I503 F533 I602 L606	I339-L419 HydrophobicContact CD1-CD2 4.49Å; L415-L419 VanDerWaalsContact O-CB 3.27Å; L415-L419 WeakPolarHBondContact O-CB 3.38Å; L415-L419 PolarHBondContact O-N 3.48Å; L416-L419 PolarHBondContact O-N 2.82Å; L419-K422 WeakPolarHBondContact O-CB 3.21Å; L419-K422 PolarHBondContact O-N 2.95Å; L419-L423 HydrophobicContact CD1-CD1 4.04Å; L419-L423 HydrophobicContact CD1-CD2 4.32Å; L419-L423 HydrophobicContact CD1-CG 4.02Å; L419-L423 HydrophobicContact CD2-CD1 4.34Å; L419-L423 HydrophobicContact CG-CD1 3.77Å; L419-L423 HydrophobicContact CG-CG 4.18Å; L419-L423 WeakPolarHBondContact O-CG 3.35Å; L419-L423 PolarHBondContact O-N 3.47Å; L419-I503 HydrophobicContact CD2-CD1 3.92Å; L419-F533 HydrophobicContact CD1-CE2 4.42Å; L419-F533 HydrophobicContact CD2-CB 4.48Å; L419-F533 HydrophobicContact CD2-CD2 4.11Å; L419-F533 HydrophobicContact CD2-CG 4.25Å; L419-I602 HydrophobicContact CB-CD1 4.22Å; L419-I602 HydrophobicContact CD1-CD1 4.47Å; L419-I602 HydrophobicContact CD1-CG1 4.45Å; L419-L606 HydrophobicContact CD1-CD1 4.48Å
420	L	96.6	Very high	94.6	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.1	-43.7	-172.8	-70.1	175.3	0	0	0	113.8	L416 K422 L423 K424 V430 Y446 F481 L482 I503	L416-L420 HydrophobicContact CB-CD1 4.27Å; L416-L420 HydrophobicContact CD2-CD1 4.44Å; L416-L420 HydrophobicContact CD2-CG 4.32Å; L416-L420 WeakPolarHBondContact O-CB 3.43Å; L416-L420 WeakPolarHBondContact O-CG 3.47Å; L416-L420 PolarHBondContact O-N 3.15Å; L420-K422 VanDerWaalsContact C-N 3.31Å; L420-K422 PolarHBondContact O-N 3.5Å; L420-L423 PolarHBondContact O-N 3.45Å; L420-K424 WeakPolarHBondContact O-CB 3.46Å; L420-K424 PolarHBondContact O-N 2.97Å; L420-V430 HydrophobicContact CD2-CG1 4.3Å; L420-Y446 HydrophobicContact CD1-CE1 3.66Å; L420-F481 HydrophobicContact CB-CE1 4.21Å; L420-F481 HydrophobicContact CD2-CE1 4.01Å; L420-F481 HydrophobicContact CD2-CZ 4.2Å; L420-F481 WeakPolarHBondContact O-CZ 3.19Å; L420-L482 HydrophobicContact CD1-CD1 4.23Å; L420-L482 HydrophobicContact CD2-CD1 4.49Å; L420-L482 HydrophobicContact CD2-CD2 3.89Å; L420-I503 HydrophobicContact CD2-CD1 3.98Å
421	P	94.6	Very high	94.7	Very high	49 Å²	49	32 Å²	32	32%	0.318	17%	0.165	S	C	.	.	H	α-helix	trans	-59.3	-41.6	175.4	-26.1	36.3	0	0	0	112.5	D417 K424 Q425	D417-P421 WeakPolarHBondContact O-CD 3.41Å; D417-P421 WeakPolarHBondContact O-CG 3.45Å; P421-K424 PolarHBondContact O-N 2.87Å; P421-Q425 WeakPolarHBondContact O-CG 3.4Å; P421-Q425 PolarHBondContact O-N 3.21Å
422	K	94.4	Very high	94.8	Very high	43 Å²	43	32.1 Å²	32.1	19%	0.187	17%	0.165	C	C	.	.	H	α-helix	trans	-63.1	-43.4	177.3	-177.5	171.1	-176.9	164.8	0	112	L419 L420 Q425 Q426 I602 D603	L419-K422 WeakPolarHBondContact O-CB 3.21Å; L419-K422 PolarHBondContact O-N 2.95Å; L420-K422 VanDerWaalsContact C-N 3.31Å; L420-K422 PolarHBondContact O-N 3.5Å; K422-Q425 PolarHBondContact O-N 2.66Å; K422-Q426 VanDerWaalsContact O-CG 3.31Å; K422-Q426 WeakPolarHBondContact O-CG 3.46Å; K422-Q426 PolarHBondContact O-N 3.04Å; K422-Q426 VanDerWaalsContact O-N 3.12Å; K422-I602 HydrophobicContact CD-CG2 3.88Å; K422-D603 IonicContact NZ-OD1 2.67Å; K422-D603 PolarHBondContact NZ-OD1 3.39Å; K422-D603 IonicContact NZ-OD2 3.63Å; K422-D603 PolarHBondContact NZ-OD2 3.4Å
423	L	95.3	Very high	94.8	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-66.6	-37.2	176.2	-64.7	177.1	0	0	0	112.1	L419 L420 Q426 G427 S428 V430 F481 V501 I503 F533	L419-L423 HydrophobicContact CD1-CD1 4.04Å; L419-L423 HydrophobicContact CD1-CD2 4.32Å; L419-L423 HydrophobicContact CD1-CG 4.02Å; L419-L423 HydrophobicContact CD2-CD1 4.34Å; L419-L423 HydrophobicContact CG-CD1 3.77Å; L419-L423 HydrophobicContact CG-CG 4.18Å; L419-L423 WeakPolarHBondContact O-CG 3.35Å; L419-L423 PolarHBondContact O-N 3.47Å; L420-L423 PolarHBondContact O-N 3.45Å; L423-Q426 WeakPolarHBondContact O-CB 3.41Å; L423-Q426 PolarHBondContact O-N 3.25Å; L423-G427 PolarHBondContact O-N 2.82Å; L423-S428 WeakPolarHBondContact O-CB 3.37Å; L423-S428 PolarHBondContact O-N 3.07Å; L423-S428 VanDerWaalsContact O-N 3.12Å; L423-V430 HydrophobicContact CB-CG2 4.2Å; L423-V430 HydrophobicContact CD1-CG2 3.91Å; L423-F481 HydrophobicContact CB-CE2 4.38Å; L423-F481 HydrophobicContact CB-CZ 4.11Å; L423-V501 HydrophobicContact CD1-CG1 3.78Å; L423-V501 HydrophobicContact CD2-CG1 4.49Å; L423-V501 HydrophobicContact CD2-CG2 4.06Å; L423-I503 HydrophobicContact CD1-CD1 4.18Å; L423-F533 HydrophobicContact CD1-CE2 4.46Å; L423-F533 HydrophobicContact CD2-CE2 4.25Å
424	K	93.9	Very high	94.8	Very high	100 Å²	100	32.1 Å²	32.1	44%	0.435	17%	0.166	S	C	.	.	H	α-helix	trans	-64.7	-41.7	175.5	-166.6	175.4	-178.5	-177.2	0	111.3	L420 P421 Q426 G427 F481	L420-K424 WeakPolarHBondContact O-CB 3.46Å; L420-K424 PolarHBondContact O-N 2.97Å; P421-K424 PolarHBondContact O-N 2.87Å; K424-Q426 VanDerWaalsContact C-N 3.27Å; K424-Q426 PolarHBondContact O-N 3.03Å; K424-G427 PolarHBondContact O-N 3.26Å; K424-F481 HydrophobicContact CB-CD2 4.17Å; K424-F481 HydrophobicContact CB-CE1 4.13Å; K424-F481 HydrophobicContact CB-CE2 3.74Å; K424-F481 HydrophobicContact CB-CZ 3.73Å; K424-F481 HydrophobicContact CD-CD1 4.36Å; K424-F481 HydrophobicContact CD-CG 4.45Å; K424-F481 HydrophobicContact CG-CD1 4.5Å; K424-F481 HydrophobicContact CG-CD2 4.12Å; K424-F481 HydrophobicContact CG-CE2 4.21Å; K424-F481 HydrophobicContact CG-CG 4.28Å; K424-F481 HydrophobicContact CG-CZ 4.45Å
425	Q	93.6	Very high	94.7	Very high	169 Å²	169	32.2 Å²	32.2	79%	0.79	17%	0.165	S	C	*	.	H	α-helix	trans	-62.9	-32.4	174	-72.4	172.2	12.2	0	0	112.7	P421 K422 G427	P421-Q425 WeakPolarHBondContact O-CG 3.4Å; P421-Q425 PolarHBondContact O-N 3.21Å; K422-Q425 PolarHBondContact O-N 2.66Å; Q425-G427 PolarHBondContact O-N 3.13Å
426	Q	93.1	Very high	94.5	Very high	90 Å²	90	33.6 Å²	33.6	42%	0.421	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-6.6	174.2	-69.8	171.1	5	0	0	113.3	K422 L423 K424 S428	K422-Q426 VanDerWaalsContact O-CG 3.31Å; K422-Q426 WeakPolarHBondContact O-CG 3.46Å; K422-Q426 PolarHBondContact O-N 3.04Å; K422-Q426 VanDerWaalsContact O-N 3.12Å; L423-Q426 WeakPolarHBondContact O-CB 3.41Å; L423-Q426 PolarHBondContact O-N 3.25Å; K424-Q426 VanDerWaalsContact C-N 3.27Å; K424-Q426 PolarHBondContact O-N 3.03Å; Q426-S428 PolarHBondContact O-N 2.63Å
427	G	91.8	Very high	94.2	Very high	50 Å²	50	36.8 Å²	36.8	52%	0.515	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	24.4	-173.8	0	0	0	0	0	112.9	L423 K424 Q425	L423-G427 PolarHBondContact O-N 2.82Å; K424-G427 PolarHBondContact O-N 3.26Å; Q425-G427 PolarHBondContact O-N 3.13Å
428	S	94.2	Very high	94	Very high	7 Å²	7	40.6 Å²	40.6	5%	0.049	20%	0.204	C	C	.	.			trans	-77.6	152.3	175.5	-70.3	0	0	0	0	111	L423 Q426 F481 D500	L423-S428 WeakPolarHBondContact O-CB 3.37Å; L423-S428 PolarHBondContact O-N 3.07Å; L423-S428 VanDerWaalsContact O-N 3.12Å; Q426-S428 PolarHBondContact O-N 2.63Å; S428-F481 VanDerWaalsContact O-CD2 3.28Å; S428-F481 WeakPolarHBondContact O-CD2 3.22Å; S428-F481 VanDerWaalsContact O-CE2 3.24Å; S428-F481 WeakPolarHBondContact O-CE2 3.48Å; S428-D500 VanDerWaalsContact CA-OD1 3.23Å; S428-D500 WeakPolarHBondContact CA-OD1 3.4Å; S428-D500 WeakPolarHBondContact CB-OD1 3.47Å; S428-D500 WeakPolarHBondContact CB-OD2 3.31Å; S428-D500 PolarHBondContact OG-OD2 3.16Å
429	R	95.3	Very high	94.1	Very high	40 Å²	40	38 Å²	38	15%	0.151	19%	0.193	C	C	.	.			trans	-109.1	132.1	170.5	-79.4	-175.3	-175.2	173	0.3	108.8	Y473 R475 S478 T498 A499 D500 V501	R429-Y473 WeakPolarHBondContact CB-OH 3.1Å; R429-Y473 PolarHBondContact NH1-O 2.85Å; R429-R475 PolarHBondContact NH1-O 3.01Å; R429-R475 PolarHBondContact NH2-O 3.06Å; R429-S478 VanDerWaalsContact NH2-N 3.12Å; R429-T498 PolarHBondContact NH1-OG1 2.9Å; R429-A499 HydrophobicContact CB-CB 4.4Å; R429-A499 WeakPolarHBondContact O-CA 3.32Å; R429-D500 PolarHBondContact N-OD1 3.44Å; R429-D500 PolarHBondContact O-N 3.05Å; R429-V501 PolarHBondContact O-N 3.43Å
430	V	97	Very high	94.1	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.1	-165	-178.6	0	0	0	0	111.1	L420 L423 Y473 F481 L482 F483 V501 I503	L420-V430 HydrophobicContact CD2-CG1 4.3Å; L423-V430 HydrophobicContact CB-CG2 4.2Å; L423-V430 HydrophobicContact CD1-CG2 3.91Å; V430-Y473 PolarHBondContact N-OH 3.33Å; V430-Y473 PolarHBondContact O-OH 2.75Å; V430-F481 HydrophobicContact CG2-CD2 4.47Å; V430-F481 HydrophobicContact CG2-CE2 3.64Å; V430-F481 HydrophobicContact CG2-CZ 3.65Å; V430-F481 PolarHBondContact N-O 2.65Å; V430-L482 HydrophobicContact CB-CD2 3.61Å; V430-L482 HydrophobicContact CG1-CD2 3.56Å; V430-L482 CarbonylContact O-C 3.57Å; V430-L482 WeakPolarHBondContact O-CA 3.11Å; V430-F483 PolarHBondContact O-N 2.72Å; V430-V501 WeakPolarHBondContact CA-O 3.44Å; V430-V501 HydrophobicContact CG1-CG1 4.36Å; V430-V501 HydrophobicContact CG2-CB 4.09Å; V430-V501 HydrophobicContact CG2-CG1 4.32Å; V430-I503 HydrophobicContact CG1-CD1 3.66Å; V430-I503 HydrophobicContact CG1-CG1 3.94Å
431	L	96.3	Very high	93.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	121.2	163.7	-53.4	-174.1	0	0	0	109.2	F433 Y473 F483 L485 L496 A499 V501 V502 I503 R520 A521	L431-F433 HydrophobicContact CB-CD2 4.35Å; L431-F433 HydrophobicContact CB-CE2 3.73Å; L431-F433 HydrophobicContact CB-CZ 4.24Å; L431-F433 HydrophobicContact CD1-CE2 4.12Å; L431-F433 HydrophobicContact CD1-CZ 4.12Å; L431-Y473 HydrophobicContact CD2-CE1 3.93Å; L431-F483 CarbonylContact C-O 3.59Å; L431-F483 WeakPolarHBondContact CA-O 3.26Å; L431-F483 HydrophobicContact CD2-CB 3.64Å; L431-F483 HydrophobicContact CD2-CG 4.42Å; L431-L485 HydrophobicContact CB-CD1 4.28Å; L431-L485 HydrophobicContact CD2-CD1 4.2Å; L431-L496 HydrophobicContact CD1-CB 3.95Å; L431-L496 HydrophobicContact CD1-CD1 4.09Å; L431-L496 HydrophobicContact CD2-CB 4.1Å; L431-L496 HydrophobicContact CD2-CD1 3.79Å; L431-L496 HydrophobicContact CD2-CG 4.47Å; L431-A499 HydrophobicContact CD1-CB 4.06Å; L431-A499 HydrophobicContact CD2-CB 3.74Å; L431-A499 HydrophobicContact CG-CB 3.52Å; L431-V501 PolarHBondContact N-O 3.05Å; L431-V502 HydrophobicContact CB-CG2 4.36Å; L431-V502 HydrophobicContact CD1-CG2 4.32Å; L431-V502 CarbonylContact O-C 3.59Å; L431-V502 WeakPolarHBondContact O-CA 3.49Å; L431-I503 PolarHBondContact O-N 3.39Å; L431-R520 HydrophobicContact CD1-CB 4.15Å; L431-A521 HydrophobicContact CD1-CB 3.9Å
432	L	96.6	Very high	93.9	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.016	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	107.4	176.6	-179.5	62.5	0	0	0	109.4	L416 L443 L482 F483 M484 L485 I503 Y505	L416-L432 HydrophobicContact CD1-CD1 4.44Å; L416-L432 HydrophobicContact CD1-CD2 4.34Å; L416-L432 HydrophobicContact CD2-CD1 4.44Å; L432-L443 HydrophobicContact CD2-CD1 3.89Å; L432-L443 HydrophobicContact CD2-CD2 4.23Å; L432-L482 HydrophobicContact CB-CD2 4.28Å; L432-F483 PolarHBondContact N-O 2.84Å; L432-M484 HydrophobicContact CB-CG 4.16Å; L432-M484 HydrophobicContact CD2-CG 4.05Å; L432-M484 HydrophobicContact CD2-SD 4.25Å; L432-M484 HydrophobicContact CG-CG 4.46Å; L432-M484 CarbonylContact O-C 3.56Å; L432-M484 WeakPolarHBondContact O-CA 3.46Å; L432-L485 PolarHBondContact O-N 3.35Å; L432-I503 HydrophobicContact CD1-CB 3.69Å; L432-I503 HydrophobicContact CD1-CG2 3.59Å; L432-Y505 HydrophobicContact CD1-CD2 4.47Å
433	F	95.5	Very high	93.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	131.4	178.2	-67	-79.8	0	0	0	111.2	L431 L485 V502 I503 I504 Y505 A517 R520	L431-F433 HydrophobicContact CB-CD2 4.35Å; L431-F433 HydrophobicContact CB-CE2 3.73Å; L431-F433 HydrophobicContact CB-CZ 4.24Å; L431-F433 HydrophobicContact CD1-CE2 4.12Å; L431-F433 HydrophobicContact CD1-CZ 4.12Å; F433-L485 VanDerWaalsContact CA-O 3.28Å; F433-L485 WeakPolarHBondContact CA-O 3.33Å; F433-L485 HydrophobicContact CD1-CB 3.62Å; F433-L485 HydrophobicContact CD1-CD1 4.37Å; F433-L485 HydrophobicContact CE1-CB 3.56Å; F433-L485 HydrophobicContact CE1-CD1 3.81Å; F433-L485 HydrophobicContact CE1-CD2 4.17Å; F433-L485 HydrophobicContact CE1-CG 4.06Å; F433-L485 HydrophobicContact CZ-CD1 4.02Å; F433-V502 HydrophobicContact CD2-CG1 3.65Å; F433-V502 HydrophobicContact CE2-CG1 3.65Å; F433-I503 PolarHBondContact N-O 3.47Å; F433-I504 HydrophobicContact CB-CD1 3.86Å; F433-I504 HydrophobicContact CD2-CD1 3.77Å; F433-I504 HydrophobicContact CG-CD1 4.13Å; F433-Y505 WeakPolarHBondContact O-CB 3.37Å; F433-Y505 PolarHBondContact O-N 3.02Å; F433-A517 HydrophobicContact CD1-CB 3.78Å; F433-A517 HydrophobicContact CD2-CB 4.04Å; F433-A517 HydrophobicContact CE1-CB 3.67Å; F433-A517 HydrophobicContact CE2-CB 3.9Å; F433-A517 WeakPolarHBondContact CE2-O 3.46Å; F433-A517 HydrophobicContact CG-CB 3.96Å; F433-A517 HydrophobicContact CZ-CB 3.72Å; F433-A517 VanDerWaalsContact CZ-O 3.3Å; F433-A517 WeakPolarHBondContact CZ-O 3.26Å; F433-R520 HydrophobicContact CZ-CG 4.22Å
434	C	94.8	Very high	93.9	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.007	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	144	172	-173.1	0	0	0	0	111.5	M440 L443 L485 S486 T487 D506	C434-M440 HydrophobicContact CB-CG 3.99Å; C434-L443 HydrophobicContact CB-CD1 4.47Å; C434-L485 PolarHBondContact N-O 2.71Å; C434-S486 CarbonylContact O-C 3.54Å; C434-S486 WeakPolarHBondContact O-CA 3.38Å; C434-T487 PolarHBondContact O-N 3.07Å; C434-T487 PolarHBondContact O-OG1 2.86Å; C434-D506 WeakPolarHBondContact CA-OD1 3.4Å; C434-D506 PolarHBondContact SG-OD1 2.7Å
435	Q	91.3	Very high	93.9	Very high	36 Å²	36	37.2 Å²	37.2	17%	0.168	19%	0.191	C	C	.	.	S	Bend	trans	-80.1	-35.1	178.5	-67.2	-75.2	-12.8	0	0	112.5	T487 D506 D508	Q435-T487 PolarHBondContact NE2-OG1 3.11Å; Q435-D506 WeakPolarHBondContact CB-OD2 3.4Å; Q435-D506 PolarHBondContact N-OD1 3.42Å; Q435-D508 PolarHBondContact NE2-OD2 2.87Å; Q435-D508 PolarHBondContact OE1-OD2 3.15Å
436	M	90.1	Very high	94	Very high	29 Å²	29	29.2 Å²	29.2	14%	0.143	15%	0.153	C	C	.	.			trans	-96.7	115.5	-173.9	-59.1	-169.9	-169.2	0	0	111.1	M379 R382 K383 L390 R438 M439 M440	M379-M436 HydrophobicContact SD-CE 3.78Å; R382-M436 HydrophobicContact CB-CE 3.84Å; K383-M436 HydrophobicContact CG-CE 4.02Å; K383-M436 HydrophobicContact CG-SD 3.85Å; L390-M436 HydrophobicContact CD1-SD 3.99Å; M436-R438 VanDerWaalsContact C-N 3.3Å; M436-R438 PolarHBondContact O-N 3.08Å; M436-M439 HydrophobicContact CB-CB 3.95Å; M436-M439 WeakPolarHBondContact O-CA 3.25Å; M436-M439 VanDerWaalsContact O-CB 3.29Å; M436-M439 WeakPolarHBondContact O-CB 3.22Å; M436-M439 PolarHBondContact O-N 3.3Å; M436-M440 PolarHBondContact O-N 3.06Å
437	T	90.5	Very high	94.1	Very high	67 Å²	67	25 Å²	25	41%	0.411	13%	0.134	S	C	.	.	H	α-helix	trans	-60.5	-37.4	177.7	53.7	0	0	0	0	112.8	M439 M440 D441 D458	T437-M439 PolarHBondContact O-N 3.17Å; T437-M440 WeakPolarHBondContact O-CA 3.45Å; T437-M440 VanDerWaalsContact O-CB 3.26Å; T437-M440 WeakPolarHBondContact O-CB 3.48Å; T437-M440 PolarHBondContact O-N 2.61Å; T437-D441 PolarHBondContact O-N 3.31Å; T437-D458 HydrophobicContact CG2-CB 4.21Å
438	R	91	Very high	94.1	Very high	113 Å²	113	27.9 Å²	27.9	43%	0.426	14%	0.137	S	C	.	.	H	α-helix	trans	-60.2	-27.6	172.8	-76.4	-171.9	68.1	177.5	-1.3	113.7	L390 D392 M436 D441	L390-R438 HydrophobicContact CD2-CB 3.59Å; D392-R438 IonicContact OD1-CZ 2.64Å; D392-R438 IonicContact OD1-NH1 3.89Å; D392-R438 PolarHBondContact OD1-NH1 3.15Å; D392-R438 IonicContact OD1-NH2 3.98Å; D392-R438 PolarHBondContact OD1-NH2 3.1Å; M436-R438 VanDerWaalsContact C-N 3.3Å; M436-R438 PolarHBondContact O-N 3.08Å; R438-D441 WeakPolarHBondContact CA-OD2 3.31Å
439	M	95.1	Very high	94.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-76.3	-33.8	173.4	-177.4	66.2	-136.5	0	0	110.5	N386 H387 L390 M436 T437 D441 I442 L443 Y505	N386-M439 HydrophobicContact CB-CG 4.28Å; N386-M439 HydrophobicContact CB-SD 3.93Å; H387-M439 HydrophobicContact CB-CE 3.99Å; H387-M439 HydrophobicContact CB-SD 3.51Å; H387-M439 VanDerWaalsContact CB-SD 3.51Å; L390-M439 HydrophobicContact CD1-CB 4.36Å; L390-M439 HydrophobicContact CD1-SD 4.26Å; L390-M439 HydrophobicContact CD2-CB 4.35Å; M436-M439 HydrophobicContact CB-CB 3.95Å; M436-M439 WeakPolarHBondContact O-CA 3.25Å; M436-M439 VanDerWaalsContact O-CB 3.29Å; M436-M439 WeakPolarHBondContact O-CB 3.22Å; M436-M439 PolarHBondContact O-N 3.3Å; T437-M439 PolarHBondContact O-N 3.17Å; M439-D441 VanDerWaalsContact C-N 3.28Å; M439-D441 PolarHBondContact O-N 3.07Å; M439-I442 HydrophobicContact CE-CB 4.12Å; M439-I442 HydrophobicContact CE-CG2 4.04Å; M439-I442 PolarHBondContact O-N 2.78Å; M439-I442 HydrophobicContact SD-CD1 4.29Å; M439-L443 HydrophobicContact CE-CD1 4.42Å; M439-L443 HydrophobicContact CE-CD2 4.01Å; M439-L443 HydrophobicContact CE-CG 3.82Å; M439-L443 HydrophobicContact CG-CD1 4.34Å; M439-L443 WeakPolarHBondContact O-CG 3.23Å; M439-L443 PolarHBondContact O-N 2.93Å; M439-Y505 HydrophobicContact CE-CE1 3.71Å; M439-Y505 HydrophobicContact CE-CE2 4.5Å; M439-Y505 VanDerWaalsContact CE-OH 3.26Å; M439-Y505 WeakPolarHBondContact CE-OH 3.39Å; M439-Y505 HydrophobicContact CG-CD1 4.04Å; M439-Y505 HydrophobicContact CG-CE1 3.68Å; M439-Y505 HydrophobicContact SD-CE1 3.82Å
440	M	94	Very high	94	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-62.6	-36.3	172.4	-59.6	177.7	71.4	0	0	111.6	C434 M436 T437 I442 L443 E444 R456 M484	C434-M440 HydrophobicContact CB-CG 3.99Å; M436-M440 PolarHBondContact O-N 3.06Å; T437-M440 WeakPolarHBondContact O-CA 3.45Å; T437-M440 VanDerWaalsContact O-CB 3.26Å; T437-M440 WeakPolarHBondContact O-CB 3.48Å; T437-M440 PolarHBondContact O-N 2.61Å; M440-I442 VanDerWaalsContact C-N 3.34Å; M440-I442 PolarHBondContact O-N 3.43Å; M440-L443 CarbonylContact O-C 3.5Å; M440-L443 WeakPolarHBondContact O-CB 3.43Å; M440-L443 PolarHBondContact O-N 2.82Å; M440-L443 VanDerWaalsContact O-N 3.13Å; M440-E444 WeakPolarHBondContact O-CG 2.91Å; M440-E444 PolarHBondContact O-N 2.95Å; M440-R456 HydrophobicContact CE-CG 3.85Å; M440-M484 HydrophobicContact CE-CB 3.79Å
441	D	92.9	Very high	93.8	Very high	64 Å²	64	34.4 Å²	34.4	34%	0.342	18%	0.176	S	C	.	.	H	α-helix	trans	-57.6	-47	173.9	-52.7	-22.5	0	0	0	110.7	T437 R438 M439 L443 E444 D445 R456	T437-D441 PolarHBondContact O-N 3.31Å; R438-D441 WeakPolarHBondContact CA-OD2 3.31Å; M439-D441 VanDerWaalsContact C-N 3.28Å; M439-D441 PolarHBondContact O-N 3.07Å; D441-L443 VanDerWaalsContact C-N 3.31Å; D441-L443 PolarHBondContact O-N 3.46Å; D441-E444 WeakPolarHBondContact O-CB 3.26Å; D441-E444 PolarHBondContact O-N 3.08Å; D441-D445 PolarHBondContact O-N 3.1Å; D441-D445 VanDerWaalsContact O-N 3.08Å; D441-R456 IonicContact OD1-CZ 3.55Å; D441-R456 IonicContact OD1-NH1 2.67Å; D441-R456 PolarHBondContact OD1-NH1 3.28Å; D441-R456 IonicContact OD1-NH2 3.55Å; D441-R456 PolarHBondContact OD1-NH2 3.2Å; D441-R456 VanDerWaalsContact OD1-NH2 3.16Å
442	I	94.2	Very high	93.8	Very high	12 Å²	12	35 Å²	35	6%	0.062	18%	0.178	C	C	.	.	H	α-helix	trans	-63.5	-37.4	175.8	-60	169	0	0	0	111.5	H387 L390 L406 M439 M440 E444 D445 Y446	H387-I442 HydrophobicContact CB-CD1 3.92Å; L390-I442 HydrophobicContact CD2-CD1 3.89Å; L390-I442 HydrophobicContact CG-CD1 4.07Å; L406-I442 HydrophobicContact CD2-CG2 4.17Å; M439-I442 HydrophobicContact CE-CB 4.12Å; M439-I442 HydrophobicContact CE-CG2 4.04Å; M439-I442 PolarHBondContact O-N 2.78Å; M439-I442 HydrophobicContact SD-CD1 4.29Å; M440-I442 VanDerWaalsContact C-N 3.34Å; M440-I442 PolarHBondContact O-N 3.43Å; I442-E444 VanDerWaalsContact C-N 3.35Å; I442-D445 PolarHBondContact O-N 3.1Å; I442-Y446 WeakPolarHBondContact O-CB 3.43Å; I442-Y446 PolarHBondContact O-N 2.96Å
443	L	95.9	Very high	93.7	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-69.3	-32.5	176.6	-69.6	167.1	0	0	0	112.1	L413 L416 L432 C434 M439 M440 D441 C447 M484 Y505	L413-L443 HydrophobicContact CD1-CD2 3.67Å; L416-L443 HydrophobicContact CD1-CD2 3.75Å; L432-L443 HydrophobicContact CD2-CD1 3.89Å; L432-L443 HydrophobicContact CD2-CD2 4.23Å; C434-L443 HydrophobicContact CB-CD1 4.47Å; M439-L443 HydrophobicContact CE-CD1 4.42Å; M439-L443 HydrophobicContact CE-CD2 4.01Å; M439-L443 HydrophobicContact CE-CG 3.82Å; M439-L443 HydrophobicContact CG-CD1 4.34Å; M439-L443 WeakPolarHBondContact O-CG 3.23Å; M439-L443 PolarHBondContact O-N 2.93Å; M440-L443 CarbonylContact O-C 3.5Å; M440-L443 WeakPolarHBondContact O-CB 3.43Å; M440-L443 PolarHBondContact O-N 2.82Å; M440-L443 VanDerWaalsContact O-N 3.13Å; D441-L443 VanDerWaalsContact C-N 3.31Å; D441-L443 PolarHBondContact O-N 3.46Å; L443-C447 WeakPolarHBondContact O-CB 3.34Å; L443-C447 PolarHBondContact O-N 3.45Å; L443-C447 PolarHBondContact O-SG 3.36Å; L443-M484 HydrophobicContact CB-SD 3.68Å; L443-Y505 HydrophobicContact CD2-CE2 4.17Å
444	E	94.9	Very high	93.7	Very high	41 Å²	41	40.9 Å²	40.9	19%	0.192	20%	0.204	C	C	.	.	H	α-helix	trans	-63.8	-48.8	171.5	-75.5	-167.2	106.2	0	0	110.9	M440 D441 I442 Y446 C447 L448 Y454 R456 M484	M440-E444 WeakPolarHBondContact O-CG 2.91Å; M440-E444 PolarHBondContact O-N 2.95Å; D441-E444 WeakPolarHBondContact O-CB 3.26Å; D441-E444 PolarHBondContact O-N 3.08Å; I442-E444 VanDerWaalsContact C-N 3.35Å; E444-Y446 VanDerWaalsContact C-N 3.28Å; E444-Y446 PolarHBondContact O-N 2.84Å; E444-C447 PolarHBondContact O-N 3Å; E444-L448 WeakPolarHBondContact O-CB 3.29Å; E444-L448 VanDerWaalsContact O-CG 3.29Å; E444-L448 WeakPolarHBondContact O-CG 3.43Å; E444-L448 PolarHBondContact O-N 2.85Å; E444-Y454 HydrophobicContact CB-CE2 4.49Å; E444-Y454 WeakPolarHBondContact CB-OH 3.02Å; E444-Y454 HydrophobicContact CG-CE2 3.65Å; E444-Y454 VanDerWaalsContact CG-OH 3.26Å; E444-Y454 WeakPolarHBondContact CG-OH 3.45Å; E444-Y454 WeakPolarHBondContact OE1-CE2 3.42Å; E444-Y454 PolarHBondContact OE1-OH 2.84Å; E444-R456 WeakPolarHBondContact OE2-CD 3.19Å; E444-R456 IonicContact OE2-CZ 2.76Å; E444-R456 IonicContact OE2-NE 2.92Å; E444-R456 IonicContact OE2-NH1 3.65Å; E444-R456 PolarHBondContact OE2-NH1 2.81Å; E444-M484 HydrophobicContact CB-CE 4.44Å; E444-M484 HydrophobicContact CG-CE 3.53Å
445	D	93	Very high	93.8	Very high	57 Å²	57	42.8 Å²	42.8	31%	0.305	21%	0.212	S	C	.	.	H	α-helix	trans	-56.3	-44.5	175.8	-70.1	-24.3	0	0	0	111.6	T402 L406 D441 I442 L448 W449	T402-D445 HydrophobicContact CG2-CB 3.8Å; L406-D445 HydrophobicContact CD1-CB 4.23Å; D441-D445 PolarHBondContact O-N 3.1Å; D441-D445 VanDerWaalsContact O-N 3.08Å; I442-D445 PolarHBondContact O-N 3.1Å; D445-L448 PolarHBondContact O-N 3.04Å; D445-W449 WeakPolarHBondContact O-CB 3.46Å; D445-W449 PolarHBondContact O-N 2.64Å
446	Y	95.6	Very high	93.8	Very high	1 Å²	1	43.7 Å²	43.7	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-60.9	-45.5	173.4	164.2	-93.1	0	0	0	112.4	V407 L413 D417 L420 I442 E444 W449 R450	V407-Y446 HydrophobicContact CG2-CD2 3.82Å; V407-Y446 HydrophobicContact CG2-CE2 3.82Å; L413-Y446 HydrophobicContact CD1-CD1 4.16Å; L413-Y446 HydrophobicContact CD1-CD2 4.04Å; L413-Y446 HydrophobicContact CD1-CE2 4.46Å; L413-Y446 HydrophobicContact CD1-CG 3.89Å; L413-Y446 HydrophobicContact CD2-CD2 4.15Å; L413-Y446 HydrophobicContact CD2-CG 4.34Å; L413-Y446 HydrophobicContact CG-CD2 4.1Å; L413-Y446 HydrophobicContact CG-CG 4.39Å; D417-Y446 WeakPolarHBondContact CA-OH 3.44Å; D417-Y446 HydrophobicContact CB-CE2 4.2Å; D417-Y446 WeakPolarHBondContact OD1-CE2 3.45Å; D417-Y446 PolarHBondContact OD1-OH 2.88Å; L420-Y446 HydrophobicContact CD1-CE1 3.66Å; I442-Y446 WeakPolarHBondContact O-CB 3.43Å; I442-Y446 PolarHBondContact O-N 2.96Å; E444-Y446 VanDerWaalsContact C-N 3.28Å; E444-Y446 PolarHBondContact O-N 2.84Å; Y446-W449 HydrophobicContact CD2-CE3 4.24Å; Y446-W449 HydrophobicContact CD2-CZ3 4.39Å; Y446-W449 PolarHBondContact O-N 3.47Å; Y446-R450 HydrophobicContact CD2-CG 4.12Å; Y446-R450 HydrophobicContact CE1-CG 4.46Å; Y446-R450 HydrophobicContact CE2-CG 3.56Å; Y446-R450 WeakPolarHBondContact O-CB 3.35Å; Y446-R450 PolarHBondContact O-N 3.25Å
447	C	95.1	Very high	93.8	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.007	21%	0.208	C	C	.	.	H	α-helix	trans	-66.9	-38.9	-179.9	-70.8	0	0	0	0	112.1	L443 E444 G451 H452 Y454	L443-C447 WeakPolarHBondContact O-CB 3.34Å; L443-C447 PolarHBondContact O-N 3.45Å; L443-C447 PolarHBondContact O-SG 3.36Å; E444-C447 PolarHBondContact O-N 3Å; C447-G451 PolarHBondContact O-N 3.38Å; C447-H452 HydrophobicContact CB-CB 4.16Å; C447-H452 PolarHBondContact O-N 2.74Å; C447-Y454 HydrophobicContact CB-CD1 3.42Å; C447-Y454 VanDerWaalsContact CB-CD1 3.42Å; C447-Y454 HydrophobicContact CB-CE1 3.59Å; C447-Y454 HydrophobicContact CB-CG 4.42Å
448	L	92.5	Very high	93.8	Very high	112 Å²	112	39.4 Å²	39.4	59%	0.586	19%	0.19	S	C	*	.	H	α-helix	trans	-61.8	-47.5	175	-71.7	170.8	0	0	0	110.5	E444 D445 G451 Y454	E444-L448 WeakPolarHBondContact O-CB 3.29Å; E444-L448 VanDerWaalsContact O-CG 3.29Å; E444-L448 WeakPolarHBondContact O-CG 3.43Å; E444-L448 PolarHBondContact O-N 2.85Å; D445-L448 PolarHBondContact O-N 3.04Å; L448-G451 PolarHBondContact O-N 2.89Å; L448-Y454 HydrophobicContact CD2-CE1 4.38Å; L448-Y454 HydrophobicContact CG-CE1 4.32Å
449	W	93.4	Very high	93.3	Very high	59 Å²	59	37.5 Å²	37.5	22%	0.223	21%	0.205	C	C	.	.	H	α-helix	trans	-63	-45	177.8	172.8	57.6	0	0	0	113.2	H404 V407 D445 Y446 G451	H404-W449 VanDerWaalsContact CA-CH2 3.47Å; H404-W449 HydrophobicContact CB-CH2 4.24Å; H404-W449 HydrophobicContact CB-CZ2 4.38Å; H404-W449 AromaticContact CD2-CZ2 3.68Å; H404-W449 AromaticContact CG-CH2 3.79Å; H404-W449 AromaticContact CG-CZ2 3.79Å; H404-W449 VanDerWaalsContact N-CZ2 3.32Å; H404-W449 AromaticContact ND1-CH2 3.76Å; H404-W449 AromaticContact NE2-CZ2 3.88Å; V407-W449 HydrophobicContact CG2-CH2 4.37Å; V407-W449 HydrophobicContact CG2-CZ3 3.67Å; D445-W449 WeakPolarHBondContact O-CB 3.46Å; D445-W449 PolarHBondContact O-N 2.64Å; Y446-W449 HydrophobicContact CD2-CE3 4.24Å; Y446-W449 HydrophobicContact CD2-CZ3 4.39Å; Y446-W449 PolarHBondContact O-N 3.47Å; W449-G451 VanDerWaalsContact C-N 3.26Å; W449-G451 PolarHBondContact O-N 3.21Å
450	R	94.2	Very high	92.6	Very high	77 Å²	77	42.2 Å²	42.2	29%	0.291	24%	0.238	S	C	.	.	H	α-helix	trans	-78.1	-4.8	177.3	-70.4	-56.9	-164.8	-142.4	1.9	114.2	D417 Y446 H452	D417-R450 VanDerWaalsContact CG-NH2 3.3Å; D417-R450 IonicContact OD1-CZ 3.6Å; D417-R450 VanDerWaalsContact OD1-CZ 3.31Å; D417-R450 IonicContact OD1-NE 2.83Å; D417-R450 PolarHBondContact OD1-NE 3.24Å; D417-R450 IonicContact OD1-NH2 3.34Å; D417-R450 PolarHBondContact OD1-NH2 3.08Å; D417-R450 VanDerWaalsContact OD1-NH2 3.09Å; D417-R450 IonicContact OD2-CZ 2.77Å; D417-R450 IonicContact OD2-NE 3.84Å; D417-R450 IonicContact OD2-NH2 3.16Å; D417-R450 PolarHBondContact OD2-NH2 3.5Å; Y446-R450 HydrophobicContact CD2-CG 4.12Å; Y446-R450 HydrophobicContact CE1-CG 4.46Å; Y446-R450 HydrophobicContact CE2-CG 3.56Å; Y446-R450 WeakPolarHBondContact O-CB 3.35Å; Y446-R450 PolarHBondContact O-N 3.25Å; R450-H452 VanDerWaalsContact C-N 3.33Å; R450-H452 VanDerWaalsContact CB-CD2 3.5Å; R450-H452 WeakPolarHBondContact CB-CD2 3.3Å; R450-H452 PolarHBondContact O-N 2.93Å
451	G	93.1	Very high	92.1	Very high	48 Å²	48	43.1 Å²	43.1	50%	0.495	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	32.8	-178.2	0	0	0	0	0	113.6	C447 L448 W449	C447-G451 PolarHBondContact O-N 3.38Å; L448-G451 PolarHBondContact O-N 2.89Å; W449-G451 VanDerWaalsContact C-N 3.26Å; W449-G451 PolarHBondContact O-N 3.21Å
452	H	95.3	Very high	91.5	Very high	13 Å²	13	43.1 Å²	43.1	6%	0.06	25%	0.247	C	C	.	.			trans	-84	118.6	170	-65.7	-60.3	0	0	0	109.4	C447 R450 Y454 F481 L482	C447-H452 HydrophobicContact CB-CB 4.16Å; C447-H452 PolarHBondContact O-N 2.74Å; R450-H452 VanDerWaalsContact C-N 3.33Å; R450-H452 VanDerWaalsContact CB-CD2 3.5Å; R450-H452 WeakPolarHBondContact CB-CD2 3.3Å; R450-H452 PolarHBondContact O-N 2.93Å; H452-Y454 WeakPolarHBondContact O-CD1 3.09Å; H452-F481 HydrophobicContact CB-CD1 4.39Å; H452-F481 AromaticContact ND1-CD1 3.69Å; H452-F481 AromaticContact ND1-CE1 3.83Å; H452-L482 HydrophobicContact CB-CD1 3.89Å
453	E	95.5	Very high	90.5	Very high	85 Å²	85	44.9 Å²	44.9	40%	0.397	26%	0.255	S	S	.	.			trans	-73.5	132.6	170.6	-71	-168.6	-120.3	0	0	111.1	T479 K480 F481 L482	E453-T479 WeakPolarHBondContact OE1-CB 3.06Å; E453-T479 PolarHBondContact OE1-OG1 2.75Å; E453-T479 PolarHBondContact OE2-OG1 3.42Å; E453-K480 HydrophobicContact CB-CD 3.94Å; E453-K480 IonicContact OE2-NZ 3.64Å; E453-K480 PolarHBondContact OE2-NZ 2.98Å; E453-F481 PolarHBondContact O-N 3.25Å; E453-L482 PolarHBondContact O-N 2.94Å; E453-L482 VanDerWaalsContact O-N 3.16Å
454	Y	96.3	Very high	89.7	Confident	40 Å²	40	52.2 Å²	52.2	16%	0.157	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	166.1	-176.1	67.2	-94.8	0	0	0	113.3	E444 C447 L448 H452 R456 L482 M484	E444-Y454 HydrophobicContact CB-CE2 4.49Å; E444-Y454 WeakPolarHBondContact CB-OH 3.02Å; E444-Y454 HydrophobicContact CG-CE2 3.65Å; E444-Y454 VanDerWaalsContact CG-OH 3.26Å; E444-Y454 WeakPolarHBondContact CG-OH 3.45Å; E444-Y454 WeakPolarHBondContact OE1-CE2 3.42Å; E444-Y454 PolarHBondContact OE1-OH 2.84Å; C447-Y454 HydrophobicContact CB-CD1 3.42Å; C447-Y454 VanDerWaalsContact CB-CD1 3.42Å; C447-Y454 HydrophobicContact CB-CE1 3.59Å; C447-Y454 HydrophobicContact CB-CG 4.42Å; L448-Y454 HydrophobicContact CD2-CE1 4.38Å; L448-Y454 HydrophobicContact CG-CE1 4.32Å; H452-Y454 WeakPolarHBondContact O-CD1 3.09Å; Y454-R456 HydrophobicContact CE2-CB 4.46Å; Y454-L482 CarbonylContact C-O 3.58Å; Y454-L482 WeakPolarHBondContact CA-O 3.33Å; Y454-M484 HydrophobicContact CD1-CE 3.99Å; Y454-M484 HydrophobicContact CD2-CE 3.17Å; Y454-M484 HydrophobicContact CE1-CE 4.21Å; Y454-M484 HydrophobicContact CE2-CE 3.44Å; Y454-M484 VanDerWaalsContact CE2-CE 3.44Å; Y454-M484 HydrophobicContact CG-CE 3.49Å; Y454-M484 VanDerWaalsContact CG-CE 3.49Å
455	F	95.2	Very high	89.2	Confident	41 Å²	41	55.5 Å²	55.5	18%	0.18	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	151.6	157	-78.3	-56.1	0	0	0	110.5	S469 E472 K480 L482 F483 M484	F455-S469 WeakPolarHBondContact CD2-O 3.37Å; F455-S469 WeakPolarHBondContact CE2-O 3.47Å; F455-E472 HydrophobicContact CE2-CB 3.8Å; F455-E472 HydrophobicContact CE2-CG 3.85Å; F455-E472 HydrophobicContact CZ-CB 3.89Å; F455-E472 HydrophobicContact CZ-CG 3.78Å; F455-K480 HydrophobicContact CD2-CB 4.24Å; F455-K480 HydrophobicContact CD2-CD 4.46Å; F455-K480 HydrophobicContact CD2-CG 3.84Å; F455-K480 HydrophobicContact CE2-CB 4.33Å; F455-K480 HydrophobicContact CE2-CD 4.26Å; F455-K480 HydrophobicContact CE2-CG 3.53Å; F455-K480 HydrophobicContact CZ-CD 4.45Å; F455-K480 HydrophobicContact CZ-CG 4.11Å; F455-L482 PolarHBondContact N-O 3.31Å; F455-F483 HydrophobicContact CB-CD1 4.08Å; F455-F483 HydrophobicContact CB-CD2 4.38Å; F455-F483 HydrophobicContact CB-CE1 3.94Å; F455-F483 HydrophobicContact CB-CE2 4.29Å; F455-F483 HydrophobicContact CB-CG 4.28Å; F455-F483 HydrophobicContact CB-CZ 4.07Å; F455-F483 CarbonylContact O-C 3.6Å; F455-M484 PolarHBondContact O-N 2.87Å
456	R	93	Very high	88.8	Confident	55 Å²	55	54 Å²	54	21%	0.208	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	133.1	174.7	171.2	176.4	171.8	168	3.9	109.8	M440 D441 E444 Y454 D458 M484	M440-R456 HydrophobicContact CE-CG 3.85Å; D441-R456 IonicContact OD1-CZ 3.55Å; D441-R456 IonicContact OD1-NH1 2.67Å; D441-R456 PolarHBondContact OD1-NH1 3.28Å; D441-R456 IonicContact OD1-NH2 3.55Å; D441-R456 PolarHBondContact OD1-NH2 3.2Å; D441-R456 VanDerWaalsContact OD1-NH2 3.16Å; E444-R456 WeakPolarHBondContact OE2-CD 3.19Å; E444-R456 IonicContact OE2-CZ 2.76Å; E444-R456 IonicContact OE2-NE 2.92Å; E444-R456 IonicContact OE2-NH1 3.65Å; E444-R456 PolarHBondContact OE2-NH1 2.81Å; Y454-R456 HydrophobicContact CE2-CB 4.46Å; R456-D458 IonicContact CZ-OD2 3.26Å; R456-D458 VanDerWaalsContact CZ-OD2 3.26Å; R456-D458 IonicContact NE-OD2 3.07Å; R456-D458 PolarHBondContact NE-OD2 3.35Å; R456-D458 IonicContact NH2-OD2 2.66Å; R456-D458 PolarHBondContact NH2-OD2 2.87Å; R456-M484 CarbonylContact C-O 3.53Å; R456-M484 WeakPolarHBondContact CA-O 3.31Å
457	L	90.1	Very high	88.2	Confident	1 Å²	1	56 Å²	56	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	115.5	173.2	-173.9	173.9	0	0	0	110.5	R466 F483 M484 L485 S486 A489 I494	L457-R466 HydrophobicContact CD1-CG 3.64Å; L457-R466 HydrophobicContact CG-CG 4.28Å; L457-F483 HydrophobicContact CB-CE1 3.52Å; L457-F483 HydrophobicContact CB-CZ 4.15Å; L457-F483 HydrophobicContact CD1-CE1 4.14Å; L457-F483 HydrophobicContact CD1-CZ 4.05Å; L457-M484 PolarHBondContact N-O 2.96Å; L457-L485 HydrophobicContact CB-CD2 4.38Å; L457-L485 HydrophobicContact CB-CG 4.48Å; L457-L485 HydrophobicContact CD1-CD2 4.21Å; L457-L485 WeakPolarHBondContact O-CA 3.28Å; L457-S486 PolarHBondContact O-N 2.95Å; L457-A489 HydrophobicContact CD2-CB 3.45Å; L457-A489 VanDerWaalsContact CD2-CB 3.45Å; L457-I494 HydrophobicContact CD1-CD1 4.05Å
458	D	88.8	Confident	87.9	Confident	6 Å²	6	61.3 Å²	61.3	3%	0.032	33%	0.331	C	S	.	.			trans	-131.4	-168.9	172.2	67.2	36.3	0	0	0	111.6	T437 R456 S460 T461	T437-D458 HydrophobicContact CG2-CB 4.21Å; R456-D458 IonicContact CZ-OD2 3.26Å; R456-D458 VanDerWaalsContact CZ-OD2 3.26Å; R456-D458 IonicContact NE-OD2 3.07Å; R456-D458 PolarHBondContact NE-OD2 3.35Å; R456-D458 IonicContact NH2-OD2 2.66Å; R456-D458 PolarHBondContact NH2-OD2 2.87Å; D458-S460 PolarHBondContact O-N 3.05Å; D458-S460 WeakPolarHBondContact OD1-CA 3.01Å; D458-S460 WeakPolarHBondContact OD1-CB 3.22Å; D458-S460 PolarHBondContact OD1-N 3.33Å; D458-S460 PolarHBondContact OD1-OG 3.05Å; D458-T461 PolarHBondContact N-OG1 3.35Å; D458-T461 PolarHBondContact O-N 2.98Å; D458-T461 PolarHBondContact O-OG1 3.28Å
459	G	80.8	Confident	87.8	Confident	73 Å²	73	56.7 Å²	56.7	75%	0.753	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-17.2	-178.3	0	0	0	0	0	114.4
460	S	80.8	Confident	87.6	Confident	98 Å²	98	54.4 Å²	54.4	69%	0.685	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-18.6	-179.9	72	0	0	0	0	113.3	D458 P462	D458-S460 PolarHBondContact O-N 3.05Å; D458-S460 WeakPolarHBondContact OD1-CA 3.01Å; D458-S460 WeakPolarHBondContact OD1-CB 3.22Å; D458-S460 PolarHBondContact OD1-N 3.33Å; D458-S460 PolarHBondContact OD1-OG 3.05Å; S460-P462 WeakPolarHBondContact O-CD 3.35Å
461	T	83.6	Confident	87.4	Confident	21 Å²	21	54.8 Å²	54.8	13%	0.129	31%	0.308	C	S	.	.	S	Bend	trans	-60.1	122	-179.6	-47.5	0	0	0	0	111.6	D458 E465 R466	D458-T461 PolarHBondContact N-OG1 3.35Å; D458-T461 PolarHBondContact O-N 2.98Å; D458-T461 PolarHBondContact O-OG1 3.28Å; T461-E465 HydrophobicContact CG2-CB 4.32Å; T461-R466 HydrophobicContact CG2-CB 4.39Å
462	P	79.8	Confident	87.4	Confident	64 Å²	64	55 Å²	55	42%	0.416	30%	0.296	S	S	.	.			trans	-53.6	151.2	173.5	-26.7	35.2	0	0	0	113	S460 E464 E465 R466	S460-P462 WeakPolarHBondContact O-CD 3.35Å; P462-E464 PolarHBondContact O-N 3.44Å; P462-E465 HydrophobicContact CB-CB 4.39Å; P462-E465 HydrophobicContact CB-CG 4.3Å; P462-E465 WeakPolarHBondContact CD-OE2 3.13Å; P462-E465 HydrophobicContact CG-CG 4.45Å; P462-R466 WeakPolarHBondContact O-CB 3.21Å; P462-R466 PolarHBondContact O-N 2.74Å
463	H	74.4	Confident	87.3	Confident	48 Å²	48	54.4 Å²	54.4	22%	0.222	29%	0.293	C	S	.	.	H	α-helix	trans	-64	-40.4	-176	176.1	-67.2	0	0	0	112.2	S170 R466 Q467	S170-H463 PolarHBondContact OG-CE1 3.12Å; S170-H463 PolarHBondContact OG-NE2 3.42Å; H463-R466 WeakPolarHBondContact O-CB 3.29Å; H463-R466 PolarHBondContact O-N 2.77Å; H463-Q467 PolarHBondContact O-N 2.7Å
464	E	78.6	Confident	87.1	Confident	156 Å²	156	52.3 Å²	52.3	73%	0.729	29%	0.285	S	S	*	.	H	α-helix	trans	-66.6	-49.5	-179.1	-66.6	172.8	-170.1	0	0	111.4	P462 R466 Q467 I468	P462-E464 PolarHBondContact O-N 3.44Å; E464-R466 VanDerWaalsContact C-N 3.26Å; E464-R466 PolarHBondContact O-N 2.98Å; E464-Q467 PolarHBondContact O-N 3.29Å; E464-Q467 VanDerWaalsContact O-N 3.09Å; E464-I468 WeakPolarHBondContact O-CG1 3.4Å; E464-I468 PolarHBondContact O-N 3.01Å; E464-I468 VanDerWaalsContact O-N 3.14Å
465	E	84.1	Confident	87	Confident	109 Å²	109	56.6 Å²	56.6	51%	0.509	30%	0.301	S	S	.	.	H	α-helix	trans	-59	-36.2	175.8	-68.9	178.1	-163.1	0	0	112.8	T461 P462 Q467 I468 S469	T461-E465 HydrophobicContact CG2-CB 4.32Å; P462-E465 HydrophobicContact CB-CB 4.39Å; P462-E465 HydrophobicContact CB-CG 4.3Å; P462-E465 WeakPolarHBondContact CD-OE2 3.13Å; P462-E465 HydrophobicContact CG-CG 4.45Å; E465-Q467 VanDerWaalsContact C-N 3.34Å; E465-Q467 PolarHBondContact O-N 3.37Å; E465-I468 PolarHBondContact O-N 3.17Å; E465-S469 WeakPolarHBondContact O-CB 3.47Å; E465-S469 PolarHBondContact O-N 3.27Å; E465-S469 PolarHBondContact O-OG 3.12Å
466	R	84.7	Confident	86.7	Confident	26 Å²	26	60.5 Å²	60.5	10%	0.098	33%	0.33	C	S	.	.	H	α-helix	trans	-57.7	-48	174.6	175.7	-179.4	-60.3	149.6	3.7	111.2	L457 T461 P462 H463 E464 S469 I470	L457-R466 HydrophobicContact CD1-CG 3.64Å; L457-R466 HydrophobicContact CG-CG 4.28Å; T461-R466 HydrophobicContact CG2-CB 4.39Å; P462-R466 WeakPolarHBondContact O-CB 3.21Å; P462-R466 PolarHBondContact O-N 2.74Å; H463-R466 WeakPolarHBondContact O-CB 3.29Å; H463-R466 PolarHBondContact O-N 2.77Å; E464-R466 VanDerWaalsContact C-N 3.26Å; E464-R466 PolarHBondContact O-N 2.98Å; R466-S469 PolarHBondContact O-N 3.16Å; R466-I470 HydrophobicContact CG-CD1 3.79Å; R466-I470 WeakPolarHBondContact O-CD1 3.47Å; R466-I470 VanDerWaalsContact O-CG1 3.24Å; R466-I470 WeakPolarHBondContact O-CG1 3.43Å; R466-I470 PolarHBondContact O-N 3.07Å; R466-I470 VanDerWaalsContact O-N 3.09Å
467	Q	82.9	Confident	86.5	Confident	43 Å²	43	61.3 Å²	61.3	20%	0.201	36%	0.355	C	S	.	.	H	α-helix	trans	-66.9	-44.7	-177.2	-172.1	58.1	46.4	0	0	110.9	H463 E464 E465 S469 I470 D471	H463-Q467 PolarHBondContact O-N 2.7Å; E464-Q467 PolarHBondContact O-N 3.29Å; E464-Q467 VanDerWaalsContact O-N 3.09Å; E465-Q467 VanDerWaalsContact C-N 3.34Å; E465-Q467 PolarHBondContact O-N 3.37Å; Q467-S469 VanDerWaalsContact C-N 3.31Å; Q467-S469 PolarHBondContact O-N 3.04Å; Q467-I470 PolarHBondContact O-N 3.49Å; Q467-D471 PolarHBondContact NE2-OD1 3.48Å; Q467-D471 PolarHBondContact NE2-OD2 2.83Å; Q467-D471 VanDerWaalsContact O-CG 3.3Å; Q467-D471 PolarHBondContact O-N 2.91Å
468	I	88.8	Confident	86.7	Confident	113 Å²	113	61.9 Å²	61.9	58%	0.579	36%	0.36	S	S	*	.	H	α-helix	trans	-56.9	-46	175.9	-63.7	167	0	0	0	110.8	E464 E465 I470 D471 E472	E464-I468 WeakPolarHBondContact O-CG1 3.4Å; E464-I468 PolarHBondContact O-N 3.01Å; E464-I468 VanDerWaalsContact O-N 3.14Å; E465-I468 PolarHBondContact O-N 3.17Å; I468-I470 VanDerWaalsContact C-N 3.35Å; I468-I470 PolarHBondContact O-N 3.4Å; I468-D471 PolarHBondContact O-N 3.05Å; I468-E472 VanDerWaalsContact O-CB 3.27Å; I468-E472 WeakPolarHBondContact O-CB 3.31Å; I468-E472 PolarHBondContact O-N 2.93Å
469	S	91.2	Very high	86.8	Confident	15 Å²	15	65.6 Å²	65.6	11%	0.105	38%	0.383	C	S	.	.	H	α-helix	trans	-63.7	-38.9	179.6	-56.2	0	0	0	0	112.4	F455 E465 R466 Q467 Y473	F455-S469 WeakPolarHBondContact CD2-O 3.37Å; F455-S469 WeakPolarHBondContact CE2-O 3.47Å; E465-S469 WeakPolarHBondContact O-CB 3.47Å; E465-S469 PolarHBondContact O-N 3.27Å; E465-S469 PolarHBondContact O-OG 3.12Å; R466-S469 PolarHBondContact O-N 3.16Å; Q467-S469 VanDerWaalsContact C-N 3.31Å; Q467-S469 PolarHBondContact O-N 3.04Å; S469-Y473 WeakPolarHBondContact O-CB 3.34Å; S469-Y473 PolarHBondContact O-N 3.42Å
470	I	89	Confident	87.4	Confident	10 Å²	10	64.2 Å²	64.2	5%	0.051	36%	0.356	C	S	.	.	H	α-helix	trans	-67.6	-45.1	177.5	-69.2	163.3	0	0	0	110.9	R466 Q467 I468 Y473 N474 F483 I494 L496	R466-I470 HydrophobicContact CG-CD1 3.79Å; R466-I470 WeakPolarHBondContact O-CD1 3.47Å; R466-I470 VanDerWaalsContact O-CG1 3.24Å; R466-I470 WeakPolarHBondContact O-CG1 3.43Å; R466-I470 PolarHBondContact O-N 3.07Å; R466-I470 VanDerWaalsContact O-N 3.09Å; Q467-I470 PolarHBondContact O-N 3.49Å; I468-I470 VanDerWaalsContact C-N 3.35Å; I468-I470 PolarHBondContact O-N 3.4Å; I470-Y473 PolarHBondContact O-N 2.97Å; I470-N474 WeakPolarHBondContact O-CB 3.22Å; I470-N474 PolarHBondContact O-N 3.49Å; I470-N474 PolarHBondContact O-ND2 3.34Å; I470-N474 VanDerWaalsContact O-ND2 3.08Å; I470-F483 HydrophobicContact CG1-CE2 4.22Å; I470-F483 HydrophobicContact CG1-CZ 4.33Å; I470-I494 HydrophobicContact CD1-CB 3.86Å; I470-I494 HydrophobicContact CD1-CD1 4.5Å; I470-I494 HydrophobicContact CD1-CG2 3.56Å; I470-L496 HydrophobicContact CG1-CD2 4.33Å; I470-L496 HydrophobicContact CG2-CD2 4.23Å
471	D	89.3	Confident	88.2	Confident	85 Å²	85	60.2 Å²	60.2	46%	0.455	33%	0.326	S	S	.	.	H	α-helix	trans	-67.4	-44	-178.5	-66.4	-25	0	0	0	110.7	Q467 I468 Y473 N474 R475	Q467-D471 PolarHBondContact NE2-OD1 3.48Å; Q467-D471 PolarHBondContact NE2-OD2 2.83Å; Q467-D471 VanDerWaalsContact O-CG 3.3Å; Q467-D471 PolarHBondContact O-N 2.91Å; I468-D471 PolarHBondContact O-N 3.05Å; D471-Y473 PolarHBondContact O-N 3.29Å; D471-N474 PolarHBondContact O-N 2.84Å; D471-R475 PolarHBondContact O-N 3.11Å
472	E	93.1	Very high	88.8	Confident	54 Å²	54	59.2 Å²	59.2	25%	0.252	32%	0.32	S	S	.	.	H	α-helix	trans	-67.1	-36.3	177.4	-176.4	54.9	-151	0	0	112.3	F455 I468 R475 S478	F455-E472 HydrophobicContact CE2-CB 3.8Å; F455-E472 HydrophobicContact CE2-CG 3.85Å; F455-E472 HydrophobicContact CZ-CB 3.89Å; F455-E472 HydrophobicContact CZ-CG 3.78Å; I468-E472 VanDerWaalsContact O-CB 3.27Å; I468-E472 WeakPolarHBondContact O-CB 3.31Å; I468-E472 PolarHBondContact O-N 2.93Å; E472-R475 WeakPolarHBondContact O-CB 3.39Å; E472-R475 PolarHBondContact O-N 2.97Å; E472-R475 IonicContact OE1-CZ 2.77Å; E472-R475 VanDerWaalsContact OE1-CZ 3.26Å; E472-R475 IonicContact OE1-NE 3.6Å; E472-R475 PolarHBondContact OE1-NE 3.18Å; E472-R475 VanDerWaalsContact OE1-NE 3.07Å; E472-R475 IonicContact OE1-NH2 2.72Å; E472-R475 PolarHBondContact OE1-NH2 3.26Å; E472-R475 IonicContact OE2-CZ 3.18Å; E472-R475 IonicContact OE2-NE 3.75Å; E472-R475 PolarHBondContact OE2-NE 3.47Å; E472-R475 IonicContact OE2-NH2 2.79Å; E472-S478 WeakPolarHBondContact O-CB 3.45Å; E472-S478 PolarHBondContact O-OG 3.37Å
473	Y	94.2	Very high	89.5	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-66.4	-40.8	173.1	-176.7	-101.8	0	0	0	112.2	R429 V430 L431 S469 I470 D471 R475 K480 F483 L496 A499	R429-Y473 WeakPolarHBondContact CB-OH 3.1Å; R429-Y473 PolarHBondContact NH1-O 2.85Å; V430-Y473 PolarHBondContact N-OH 3.33Å; V430-Y473 PolarHBondContact O-OH 2.75Å; L431-Y473 HydrophobicContact CD2-CE1 3.93Å; S469-Y473 WeakPolarHBondContact O-CB 3.34Å; S469-Y473 PolarHBondContact O-N 3.42Å; I470-Y473 PolarHBondContact O-N 2.97Å; D471-Y473 PolarHBondContact O-N 3.29Å; Y473-R475 VanDerWaalsContact C-N 3.31Å; Y473-R475 PolarHBondContact O-N 3Å; Y473-K480 HydrophobicContact CD2-CB 3.99Å; Y473-F483 AromaticContact CD1-CD2 3.83Å; Y473-F483 HydrophobicContact CD1-CD2 3.83Å; Y473-F483 HydrophobicContact CD2-CB 4.1Å; Y473-F483 AromaticContact CD2-CD2 3.85Å; Y473-F483 HydrophobicContact CD2-CD2 3.85Å; Y473-F483 HydrophobicContact CD2-CG 4.42Å; Y473-F483 HydrophobicContact CE1-CB 4.41Å; Y473-F483 HydrophobicContact CE1-CD2 4.29Å; Y473-F483 HydrophobicContact CE2-CB 3.79Å; Y473-F483 HydrophobicContact CE2-CD2 4.33Å; Y473-F483 AromaticContact CG-CD2 3.56Å; Y473-F483 HydrophobicContact CG-CD2 3.56Å; Y473-F483 HydrophobicContact CG-CE2 4.27Å; Y473-L496 HydrophobicContact CD1-CD2 3.74Å; Y473-L496 HydrophobicContact CE1-CD2 4.22Å; Y473-A499 HydrophobicContact CE1-CB 4.16Å; Y473-A499 WeakPolarHBondContact OH-CB 3.31Å
474	N	91.5	Very high	90.5	Very high	40 Å²	40	54 Å²	54	21%	0.214	29%	0.29	C	S	.	.	H	α-helix	trans	-78	-14.5	179.5	-74.9	-44.8	0	0	0	113.4	I470 D471 N495 T498	I470-N474 WeakPolarHBondContact O-CB 3.22Å; I470-N474 PolarHBondContact O-N 3.49Å; I470-N474 PolarHBondContact O-ND2 3.34Å; I470-N474 VanDerWaalsContact O-ND2 3.08Å; D471-N474 PolarHBondContact O-N 2.84Å; N474-N495 PolarHBondContact ND2-O 2.78Å; N474-T498 HydrophobicContact CB-CG2 4.08Å; N474-T498 VanDerWaalsContact OD1-CG2 3.31Å; N474-T498 WeakPolarHBondContact OD1-CG2 3.5Å; N474-T498 PolarHBondContact OD1-OG1 3.04Å
475	R	92.7	Very high	91.3	Very high	131 Å²	131	46.5 Å²	46.5	49%	0.494	26%	0.255	S	S	.	.	S	Bend	trans	-52.6	134.1	179	-169	165	66.6	119.1	0.4	111.3	R429 D471 E472 Y473 G477 S478	R429-R475 PolarHBondContact NH1-O 3.01Å; R429-R475 PolarHBondContact NH2-O 3.06Å; D471-R475 PolarHBondContact O-N 3.11Å; E472-R475 WeakPolarHBondContact O-CB 3.39Å; E472-R475 PolarHBondContact O-N 2.97Å; E472-R475 IonicContact OE1-CZ 2.77Å; E472-R475 VanDerWaalsContact OE1-CZ 3.26Å; E472-R475 IonicContact OE1-NE 3.6Å; E472-R475 PolarHBondContact OE1-NE 3.18Å; E472-R475 VanDerWaalsContact OE1-NE 3.07Å; E472-R475 IonicContact OE1-NH2 2.72Å; E472-R475 PolarHBondContact OE1-NH2 3.26Å; E472-R475 IonicContact OE2-CZ 3.18Å; E472-R475 IonicContact OE2-NE 3.75Å; E472-R475 PolarHBondContact OE2-NE 3.47Å; E472-R475 IonicContact OE2-NH2 2.79Å; Y473-R475 VanDerWaalsContact C-N 3.31Å; Y473-R475 PolarHBondContact O-N 3Å; R475-G477 PolarHBondContact O-N 3.02Å; R475-S478 WeakPolarHBondContact O-CB 3.19Å; R475-S478 PolarHBondContact O-N 3.07Å
476	P	89.9	Confident	91.6	Very high	122 Å²	122	41.8 Å²	41.8	79%	0.792	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	129.6	172.6	-25	34.5	0	0	0	110.3	S478	P476-S478 VanDerWaalsContact C-N 3.27Å; P476-S478 PolarHBondContact O-N 2.88Å
477	G	89	Confident	91.4	Very high	72 Å²	72	40.6 Å²	40.6	74%	0.742	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.6	12.2	-178.1	0	0	0	0	0	115.7	R475 T479	R475-G477 PolarHBondContact O-N 3.02Å; G477-T479 PolarHBondContact O-N 2.73Å
478	S	92.8	Very high	91	Very high	14 Å²	14	46.4 Å²	46.4	10%	0.098	25%	0.25	C	S	.	.			trans	-48.2	134.4	171.6	-173.5	0	0	0	0	111.8	R429 E472 R475 P476 K480	R429-S478 VanDerWaalsContact NH2-N 3.12Å; E472-S478 WeakPolarHBondContact O-CB 3.45Å; E472-S478 PolarHBondContact O-OG 3.37Å; R475-S478 WeakPolarHBondContact O-CB 3.19Å; R475-S478 PolarHBondContact O-N 3.07Å; P476-S478 VanDerWaalsContact C-N 3.27Å; P476-S478 PolarHBondContact O-N 2.88Å; S478-K480 VanDerWaalsContact C-N 3.25Å; S478-K480 PolarHBondContact OG-N 3.15Å
479	T	91.9	Very high	90.1	Very high	84 Å²	84	41.4 Å²	41.4	52%	0.515	23%	0.225	S	C	.	.			trans	-76.5	-14.6	177	60.8	0	0	0	0	112.5	E453 G477 F481	E453-T479 WeakPolarHBondContact OE1-CB 3.06Å; E453-T479 PolarHBondContact OE1-OG1 2.75Å; E453-T479 PolarHBondContact OE2-OG1 3.42Å; G477-T479 PolarHBondContact O-N 2.73Å; T479-F481 PolarHBondContact O-N 2.62Å; T479-F481 VanDerWaalsContact O-N 3.1Å
480	K	93.8	Very high	88.4	Confident	44 Å²	44	40.7 Å²	40.7	19%	0.191	22%	0.22	C	C	.	.			trans	-71.1	106.5	-178.8	-58.1	-54.4	-173.8	-163.4	0	110.2	E453 F455 Y473 S478	E453-K480 HydrophobicContact CB-CD 3.94Å; E453-K480 IonicContact OE2-NZ 3.64Å; E453-K480 PolarHBondContact OE2-NZ 2.98Å; F455-K480 HydrophobicContact CD2-CB 4.24Å; F455-K480 HydrophobicContact CD2-CD 4.46Å; F455-K480 HydrophobicContact CD2-CG 3.84Å; F455-K480 HydrophobicContact CE2-CB 4.33Å; F455-K480 HydrophobicContact CE2-CD 4.26Å; F455-K480 HydrophobicContact CE2-CG 3.53Å; F455-K480 HydrophobicContact CZ-CD 4.45Å; F455-K480 HydrophobicContact CZ-CG 4.11Å; Y473-K480 HydrophobicContact CD2-CB 3.99Å; S478-K480 VanDerWaalsContact C-N 3.25Å; S478-K480 PolarHBondContact OG-N 3.15Å
481	F	96.1	Very high	86.9	Confident	14 Å²	14	41.1 Å²	41.1	6%	0.061	23%	0.227	C	C	.	.			trans	-79.6	-41.5	-179.2	169.6	-121.5	0	0	0	111.6	L420 L423 K424 S428 V430 H452 E453 T479	L420-F481 HydrophobicContact CB-CE1 4.21Å; L420-F481 HydrophobicContact CD2-CE1 4.01Å; L420-F481 HydrophobicContact CD2-CZ 4.2Å; L420-F481 WeakPolarHBondContact O-CZ 3.19Å; L423-F481 HydrophobicContact CB-CE2 4.38Å; L423-F481 HydrophobicContact CB-CZ 4.11Å; K424-F481 HydrophobicContact CB-CD2 4.17Å; K424-F481 HydrophobicContact CB-CE1 4.13Å; K424-F481 HydrophobicContact CB-CE2 3.74Å; K424-F481 HydrophobicContact CB-CZ 3.73Å; K424-F481 HydrophobicContact CD-CD1 4.36Å; K424-F481 HydrophobicContact CD-CG 4.45Å; K424-F481 HydrophobicContact CG-CD1 4.5Å; K424-F481 HydrophobicContact CG-CD2 4.12Å; K424-F481 HydrophobicContact CG-CE2 4.21Å; K424-F481 HydrophobicContact CG-CG 4.28Å; K424-F481 HydrophobicContact CG-CZ 4.45Å; S428-F481 VanDerWaalsContact O-CD2 3.28Å; S428-F481 WeakPolarHBondContact O-CD2 3.22Å; S428-F481 VanDerWaalsContact O-CE2 3.24Å; S428-F481 WeakPolarHBondContact O-CE2 3.48Å; V430-F481 HydrophobicContact CG2-CD2 4.47Å; V430-F481 HydrophobicContact CG2-CE2 3.64Å; V430-F481 HydrophobicContact CG2-CZ 3.65Å; V430-F481 PolarHBondContact N-O 2.65Å; H452-F481 HydrophobicContact CB-CD1 4.39Å; H452-F481 AromaticContact ND1-CD1 3.69Å; H452-F481 AromaticContact ND1-CE1 3.83Å; E453-F481 PolarHBondContact O-N 3.25Å; T479-F481 PolarHBondContact O-N 2.62Å; T479-F481 VanDerWaalsContact O-N 3.1Å
482	L	96.7	Very high	85.6	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	142.5	-176.6	-78.3	161.2	0	0	0	112	L420 V430 L432 H452 E453 Y454 F455	L420-L482 HydrophobicContact CD1-CD1 4.23Å; L420-L482 HydrophobicContact CD2-CD1 4.49Å; L420-L482 HydrophobicContact CD2-CD2 3.89Å; V430-L482 HydrophobicContact CB-CD2 3.61Å; V430-L482 HydrophobicContact CG1-CD2 3.56Å; V430-L482 CarbonylContact O-C 3.57Å; V430-L482 WeakPolarHBondContact O-CA 3.11Å; L432-L482 HydrophobicContact CB-CD2 4.28Å; H452-L482 HydrophobicContact CB-CD1 3.89Å; E453-L482 PolarHBondContact O-N 2.94Å; E453-L482 VanDerWaalsContact O-N 3.16Å; Y454-L482 CarbonylContact C-O 3.58Å; Y454-L482 WeakPolarHBondContact CA-O 3.33Å; F455-L482 PolarHBondContact N-O 3.31Å
483	F	95.9	Very high	84.3	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	106.9	160.6	-153.5	-38.8	0	0	0	107.5	V430 L431 L432 F455 L457 I470 Y473 L485 L496	V430-F483 PolarHBondContact O-N 2.72Å; L431-F483 CarbonylContact C-O 3.59Å; L431-F483 WeakPolarHBondContact CA-O 3.26Å; L431-F483 HydrophobicContact CD2-CB 3.64Å; L431-F483 HydrophobicContact CD2-CG 4.42Å; L432-F483 PolarHBondContact N-O 2.84Å; F455-F483 HydrophobicContact CB-CD1 4.08Å; F455-F483 HydrophobicContact CB-CD2 4.38Å; F455-F483 HydrophobicContact CB-CE1 3.94Å; F455-F483 HydrophobicContact CB-CE2 4.29Å; F455-F483 HydrophobicContact CB-CG 4.28Å; F455-F483 HydrophobicContact CB-CZ 4.07Å; F455-F483 CarbonylContact O-C 3.6Å; L457-F483 HydrophobicContact CB-CE1 3.52Å; L457-F483 HydrophobicContact CB-CZ 4.15Å; L457-F483 HydrophobicContact CD1-CE1 4.14Å; L457-F483 HydrophobicContact CD1-CZ 4.05Å; I470-F483 HydrophobicContact CG1-CE2 4.22Å; I470-F483 HydrophobicContact CG1-CZ 4.33Å; Y473-F483 AromaticContact CD1-CD2 3.83Å; Y473-F483 HydrophobicContact CD1-CD2 3.83Å; Y473-F483 HydrophobicContact CD2-CB 4.1Å; Y473-F483 AromaticContact CD2-CD2 3.85Å; Y473-F483 HydrophobicContact CD2-CD2 3.85Å; Y473-F483 HydrophobicContact CD2-CG 4.42Å; Y473-F483 HydrophobicContact CE1-CB 4.41Å; Y473-F483 HydrophobicContact CE1-CD2 4.29Å; Y473-F483 HydrophobicContact CE2-CB 3.79Å; Y473-F483 HydrophobicContact CE2-CD2 4.33Å; Y473-F483 AromaticContact CG-CD2 3.56Å; Y473-F483 HydrophobicContact CG-CD2 3.56Å; Y473-F483 HydrophobicContact CG-CE2 4.27Å; F483-L485 HydrophobicContact CB-CD1 4.11Å; F483-L485 HydrophobicContact CD1-CD1 3.71Å; F483-L485 HydrophobicContact CD1-CD2 4.26Å; F483-L485 HydrophobicContact CD1-CG 3.72Å; F483-L485 HydrophobicContact CE1-CD1 4.49Å; F483-L485 HydrophobicContact CE1-CD2 4.26Å; F483-L485 HydrophobicContact CE1-CG 4.08Å; F483-L485 HydrophobicContact CG-CD1 4.05Å; F483-L485 VanDerWaalsContact O-CD1 3.24Å; F483-L485 WeakPolarHBondContact O-CD1 3.32Å; F483-L496 HydrophobicContact CD2-CD1 4.19Å; F483-L496 HydrophobicContact CD2-CD2 3.76Å; F483-L496 HydrophobicContact CE2-CD1 4.46Å; F483-L496 HydrophobicContact CE2-CD2 3.79Å; F483-L496 HydrophobicContact CG-CD1 4.48Å
484	M	95.2	Very high	83.5	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	123.7	173.9	-69.7	-170.5	-77.8	0	0	110.1	L432 M440 L443 E444 Y454 F455 R456 L457	L432-M484 HydrophobicContact CB-CG 4.16Å; L432-M484 HydrophobicContact CD2-CG 4.05Å; L432-M484 HydrophobicContact CD2-SD 4.25Å; L432-M484 HydrophobicContact CG-CG 4.46Å; L432-M484 CarbonylContact O-C 3.56Å; L432-M484 WeakPolarHBondContact O-CA 3.46Å; M440-M484 HydrophobicContact CE-CB 3.79Å; L443-M484 HydrophobicContact CB-SD 3.68Å; E444-M484 HydrophobicContact CB-CE 4.44Å; E444-M484 HydrophobicContact CG-CE 3.53Å; Y454-M484 HydrophobicContact CD1-CE 3.99Å; Y454-M484 HydrophobicContact CD2-CE 3.17Å; Y454-M484 HydrophobicContact CE1-CE 4.21Å; Y454-M484 HydrophobicContact CE2-CE 3.44Å; Y454-M484 VanDerWaalsContact CE2-CE 3.44Å; Y454-M484 HydrophobicContact CG-CE 3.49Å; Y454-M484 VanDerWaalsContact CG-CE 3.49Å; F455-M484 PolarHBondContact O-N 2.87Å; R456-M484 CarbonylContact C-O 3.53Å; R456-M484 WeakPolarHBondContact CA-O 3.31Å; L457-M484 PolarHBondContact N-O 2.96Å
485	L	93.8	Very high	83.1	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	136.3	179.4	-59.3	102.9	0	0	0	110.2	L431 L432 F433 C434 L457 F483 T487 I494 L496	L431-L485 HydrophobicContact CB-CD1 4.28Å; L431-L485 HydrophobicContact CD2-CD1 4.2Å; L432-L485 PolarHBondContact O-N 3.35Å; F433-L485 VanDerWaalsContact CA-O 3.28Å; F433-L485 WeakPolarHBondContact CA-O 3.33Å; F433-L485 HydrophobicContact CD1-CB 3.62Å; F433-L485 HydrophobicContact CD1-CD1 4.37Å; F433-L485 HydrophobicContact CE1-CB 3.56Å; F433-L485 HydrophobicContact CE1-CD1 3.81Å; F433-L485 HydrophobicContact CE1-CD2 4.17Å; F433-L485 HydrophobicContact CE1-CG 4.06Å; F433-L485 HydrophobicContact CZ-CD1 4.02Å; C434-L485 PolarHBondContact N-O 2.71Å; L457-L485 HydrophobicContact CB-CD2 4.38Å; L457-L485 HydrophobicContact CB-CG 4.48Å; L457-L485 HydrophobicContact CD1-CD2 4.21Å; L457-L485 WeakPolarHBondContact O-CA 3.28Å; F483-L485 HydrophobicContact CB-CD1 4.11Å; F483-L485 HydrophobicContact CD1-CD1 3.71Å; F483-L485 HydrophobicContact CD1-CD2 4.26Å; F483-L485 HydrophobicContact CD1-CG 3.72Å; F483-L485 HydrophobicContact CE1-CD1 4.49Å; F483-L485 HydrophobicContact CE1-CD2 4.26Å; F483-L485 HydrophobicContact CE1-CG 4.08Å; F483-L485 HydrophobicContact CG-CD1 4.05Å; F483-L485 VanDerWaalsContact O-CD1 3.24Å; F483-L485 WeakPolarHBondContact O-CD1 3.32Å; L485-T487 PolarHBondContact O-N 2.97Å; L485-I494 HydrophobicContact CD2-CD1 3.59Å; L485-L496 HydrophobicContact CD1-CD1 4.23Å; L485-L496 HydrophobicContact CD2-CD1 3.99Å
486	S	90.7	Very high	82.9	Confident	10 Å²	10	31.9 Å²	31.9	7%	0.07	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	134.4	163.2	70.1	0	0	0	0	108.5	C434 L457 R488 A489 G490	C434-S486 CarbonylContact O-C 3.54Å; C434-S486 WeakPolarHBondContact O-CA 3.38Å; L457-S486 PolarHBondContact O-N 2.95Å; S486-R488 PolarHBondContact O-N 3.16Å; S486-A489 CarbonylContact O-C 3.58Å; S486-A489 PolarHBondContact O-N 2.79Å; S486-A489 WeakPolarHBondContact OG-CB 3.22Å; S486-A489 PolarHBondContact OG-N 3.28Å; S486-G490 PolarHBondContact O-N 2.95Å
487	T	81.7	Confident	82.7	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-56.9	-34	-172.4	-40.9	0	0	0	0	112.6	C434 Q435 L485 G490 G491 V513 A517	C434-T487 PolarHBondContact O-N 3.07Å; C434-T487 PolarHBondContact O-OG1 2.86Å; Q435-T487 PolarHBondContact NE2-OG1 3.11Å; L485-T487 PolarHBondContact O-N 2.97Å; T487-G490 PolarHBondContact O-N 3.05Å; T487-G491 PolarHBondContact O-N 2.94Å; T487-V513 HydrophobicContact CG2-CG1 3.79Å; T487-A517 HydrophobicContact CG2-CB 4.08Å
488	R	74.5	Confident	82.8	Confident	166 Å²	166	25.4 Å²	25.4	63%	0.626	14%	0.137	S	C	*	.	H	α-helix	trans	-72.4	-36.2	175.7	-65.1	-172.5	-179.5	-168.1	0.4	114.1	S486 G490	S486-R488 PolarHBondContact O-N 3.16Å; R488-G490 VanDerWaalsContact C-N 3.31Å
489	A	69	Low	82.9	Confident	7 Å²	7	24.7 Å²	24.7	6%	0.058	13%	0.133	C	C	.	.	H	α-helix	trans	-77.9	-22.7	171.5	0	0	0	0	0	111.7	L457 S486 L492	L457-A489 HydrophobicContact CD2-CB 3.45Å; L457-A489 VanDerWaalsContact CD2-CB 3.45Å; S486-A489 CarbonylContact O-C 3.58Å; S486-A489 PolarHBondContact O-N 2.79Å; S486-A489 WeakPolarHBondContact OG-CB 3.22Å; S486-A489 PolarHBondContact OG-N 3.28Å; A489-L492 HydrophobicContact CB-CD1 4.12Å; A489-L492 WeakPolarHBondContact O-CB 3.36Å; A489-L492 WeakPolarHBondContact O-CD1 3.09Å; A489-L492 WeakPolarHBondContact O-CG 3.23Å; A489-L492 PolarHBondContact O-N 3.13Å
490	G	55.7	Low	83	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-70.2	-32	170.8	0	0	0	0	0	113.3	S486 T487 R488 L492 R520	S486-G490 PolarHBondContact O-N 2.95Å; T487-G490 PolarHBondContact O-N 3.05Å; R488-G490 VanDerWaalsContact C-N 3.31Å; G490-L492 PolarHBondContact O-N 3.44Å; G490-R520 VanDerWaalsContact O-CD 3.23Å; G490-R520 WeakPolarHBondContact O-CD 2.99Å; G490-R520 WeakPolarHBondContact O-CG 3.44Å
491	G	57.7	Low	83.2	Confident	19 Å²	19	19.2 Å²	19.2	20%	0.196	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-5.1	172.5	0	0	0	0	0	114.3	T487	T487-G491 PolarHBondContact O-N 2.94Å
492	L	62.5	Low	83.2	Confident	41 Å²	41	18.6 Å²	18.6	22%	0.215	10%	0.1	C	C	.	.	S	Bend	trans	-70.5	148.2	175.3	-55.7	172.4	0	0	0	110.1	S167 A489 G490 I494 R520	S167-L492 WeakPolarHBondContact OG-CB 3.44Å; S167-L492 WeakPolarHBondContact OG-CD2 3.39Å; A489-L492 HydrophobicContact CB-CD1 4.12Å; A489-L492 WeakPolarHBondContact O-CB 3.36Å; A489-L492 WeakPolarHBondContact O-CD1 3.09Å; A489-L492 WeakPolarHBondContact O-CG 3.23Å; A489-L492 PolarHBondContact O-N 3.13Å; G490-L492 PolarHBondContact O-N 3.44Å; L492-I494 PolarHBondContact O-N 3.44Å; L492-R520 WeakPolarHBondContact O-CD 3.05Å; L492-R520 PolarHBondContact O-NH1 3.1Å
493	G	64.9	Low	83.2	Confident	16 Å²	16	18.6 Å²	18.6	17%	0.165	10%	0.1	C	C	.	.	S	Bend	trans	-63.9	36.5	-176.4	0	0	0	0	0	117.5	T168	T168-G493 VanDerWaalsContact CG2-N 3.27Å
494	I	76.8	Confident	83.2	Confident	7 Å²	7	18.6 Å²	18.6	4%	0.036	10%	0.1	C	C	.	.			trans	-80.7	156.2	178.5	64.9	-179.6	0	0	0	112	L457 I470 L485 L492 L496 R520	L457-I494 HydrophobicContact CD1-CD1 4.05Å; I470-I494 HydrophobicContact CD1-CB 3.86Å; I470-I494 HydrophobicContact CD1-CD1 4.5Å; I470-I494 HydrophobicContact CD1-CG2 3.56Å; L485-I494 HydrophobicContact CD2-CD1 3.59Å; L492-I494 PolarHBondContact O-N 3.44Å; I494-L496 HydrophobicContact CD1-CD1 3.75Å; I494-L496 HydrophobicContact CD1-CG 4.34Å; I494-L496 HydrophobicContact CG1-CD1 4.29Å; I494-L496 HydrophobicContact CG1-CG 4.47Å; I494-R520 HydrophobicContact CG1-CG 4.32Å; I494-R520 VanDerWaalsContact N-NH1 3.19Å; I494-R520 WeakPolarHBondContact O-CD 3.1Å; I494-R520 PolarHBondContact O-NH1 2.89Å
495	N	83.1	Confident	83.3	Confident	52 Å²	52	18.5 Å²	18.5	28%	0.278	10%	0.099	S	C	.	.			trans	-112.3	115.3	178	-177.8	5.6	0	0	0	110.3	N474 A497	N474-N495 PolarHBondContact ND2-O 2.78Å; N495-A497 VanDerWaalsContact OD1-CB 3.31Å; N495-A497 WeakPolarHBondContact OD1-CB 3.48Å; N495-A497 PolarHBondContact OD1-N 3.38Å
496	L	89	Confident	83.3	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.099	C	C	.	.			trans	-128.2	35.7	179.4	-64.3	171.5	0	0	0	110.5	L431 I470 Y473 F483 L485 I494 T498 A499 R520	L431-L496 HydrophobicContact CD1-CB 3.95Å; L431-L496 HydrophobicContact CD1-CD1 4.09Å; L431-L496 HydrophobicContact CD2-CB 4.1Å; L431-L496 HydrophobicContact CD2-CD1 3.79Å; L431-L496 HydrophobicContact CD2-CG 4.47Å; I470-L496 HydrophobicContact CG1-CD2 4.33Å; I470-L496 HydrophobicContact CG2-CD2 4.23Å; Y473-L496 HydrophobicContact CD1-CD2 3.74Å; Y473-L496 HydrophobicContact CE1-CD2 4.22Å; F483-L496 HydrophobicContact CD2-CD1 4.19Å; F483-L496 HydrophobicContact CD2-CD2 3.76Å; F483-L496 HydrophobicContact CE2-CD1 4.46Å; F483-L496 HydrophobicContact CE2-CD2 3.79Å; F483-L496 HydrophobicContact CG-CD1 4.48Å; L485-L496 HydrophobicContact CD1-CD1 4.23Å; L485-L496 HydrophobicContact CD2-CD1 3.99Å; I494-L496 HydrophobicContact CD1-CD1 3.75Å; I494-L496 HydrophobicContact CD1-CG 4.34Å; I494-L496 HydrophobicContact CG1-CD1 4.29Å; I494-L496 HydrophobicContact CG1-CG 4.47Å; L496-T498 PolarHBondContact O-N 2.92Å; L496-A499 WeakPolarHBondContact O-CB 3.18Å; L496-A499 PolarHBondContact O-N 2.9Å; L496-R520 CarbonylContact C-O 3.53Å; L496-R520 HydrophobicContact CB-CB 4.46Å; L496-R520 PolarHBondContact N-O 3.2Å
497	A	86.3	Confident	83.3	Confident	8 Å²	8	18.4 Å²	18.4	7%	0.066	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-5.4	-176.5	0	0	0	0	0	114.6	N495 A499 R520 Q526	N495-A497 VanDerWaalsContact OD1-CB 3.31Å; N495-A497 WeakPolarHBondContact OD1-CB 3.48Å; N495-A497 PolarHBondContact OD1-N 3.38Å; A497-A499 VanDerWaalsContact C-N 3.28Å; A497-R520 PolarHBondContact N-O 3.41Å; A497-Q526 HydrophobicContact CB-CB 4.46Å; A497-Q526 PolarHBondContact O-NE2 3.38Å; A497-Q526 PolarHBondContact O-OE1 3.44Å
498	T	91.3	Very high	83.6	Confident	50 Å²	50	18.6 Å²	18.6	31%	0.307	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-15.9	170.4	60.9	0	0	0	0	113.3	R429 N474 L496	R429-T498 PolarHBondContact NH1-OG1 2.9Å; N474-T498 HydrophobicContact CB-CG2 4.08Å; N474-T498 VanDerWaalsContact OD1-CG2 3.31Å; N474-T498 WeakPolarHBondContact OD1-CG2 3.5Å; N474-T498 PolarHBondContact OD1-OG1 3.04Å; L496-T498 PolarHBondContact O-N 2.92Å
499	A	94.1	Very high	83.7	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.094	C	C	.	.			trans	-81.7	126.8	172.9	0	0	0	0	0	110.9	R429 L431 Y473 L496 A497 A521 Q526	R429-A499 HydrophobicContact CB-CB 4.4Å; R429-A499 WeakPolarHBondContact O-CA 3.32Å; L431-A499 HydrophobicContact CD1-CB 4.06Å; L431-A499 HydrophobicContact CD2-CB 3.74Å; L431-A499 HydrophobicContact CG-CB 3.52Å; Y473-A499 HydrophobicContact CE1-CB 4.16Å; Y473-A499 WeakPolarHBondContact OH-CB 3.31Å; L496-A499 WeakPolarHBondContact O-CB 3.18Å; L496-A499 PolarHBondContact O-N 2.9Å; A497-A499 VanDerWaalsContact C-N 3.28Å; A499-A521 HydrophobicContact CB-CB 4.36Å; A499-A521 WeakPolarHBondContact O-CB 3.33Å; A499-Q526 PolarHBondContact O-NE2 2.86Å
500	D	95	Very high	84	Confident	13 Å²	13	18.5 Å²	18.5	7%	0.07	10%	0.1	C	C	.	.			trans	-100.1	-8.3	174.7	58.8	-47.2	0	0	0	112.6	S428 R429 K528 V530 R531	S428-D500 VanDerWaalsContact CA-OD1 3.23Å; S428-D500 WeakPolarHBondContact CA-OD1 3.4Å; S428-D500 WeakPolarHBondContact CB-OD1 3.47Å; S428-D500 WeakPolarHBondContact CB-OD2 3.31Å; S428-D500 PolarHBondContact OG-OD2 3.16Å; R429-D500 PolarHBondContact N-OD1 3.44Å; R429-D500 PolarHBondContact O-N 3.05Å; D500-K528 HydrophobicContact CB-CB 3.85Å; D500-K528 HydrophobicContact CB-CD 3.8Å; D500-K528 HydrophobicContact CB-CG 4.49Å; D500-V530 CarbonylContact O-C 3.57Å; D500-V530 VanDerWaalsContact O-CA 3.31Å; D500-V530 WeakPolarHBondContact O-CA 3.47Å; D500-R531 PolarHBondContact O-N 3.42Å
501	V	97	Very high	85.2	Confident	0 Å²	0	19 Å²	19	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	134.1	178	-177.7	0	0	0	0	110.9	L423 R429 V430 L431 I503 R531 F533	L423-V501 HydrophobicContact CD1-CG1 3.78Å; L423-V501 HydrophobicContact CD2-CG1 4.49Å; L423-V501 HydrophobicContact CD2-CG2 4.06Å; R429-V501 PolarHBondContact O-N 3.43Å; V430-V501 WeakPolarHBondContact CA-O 3.44Å; V430-V501 HydrophobicContact CG1-CG1 4.36Å; V430-V501 HydrophobicContact CG2-CB 4.09Å; V430-V501 HydrophobicContact CG2-CG1 4.32Å; L431-V501 PolarHBondContact N-O 3.05Å; V501-I503 HydrophobicContact CG1-CG1 4.19Å; V501-R531 CarbonylContact C-O 3.46Å; V501-R531 WeakPolarHBondContact CA-O 3.34Å; V501-F533 HydrophobicContact CG1-CD2 3.73Å; V501-F533 HydrophobicContact CG1-CE2 3.7Å
502	V	96.3	Very high	86.2	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	127.5	172.8	177.4	0	0	0	0	108.2	L431 F433 I504 M518 A521 V530 R531 V532 F533	L431-V502 HydrophobicContact CB-CG2 4.36Å; L431-V502 HydrophobicContact CD1-CG2 4.32Å; L431-V502 CarbonylContact O-C 3.59Å; L431-V502 WeakPolarHBondContact O-CA 3.49Å; F433-V502 HydrophobicContact CD2-CG1 3.65Å; F433-V502 HydrophobicContact CE2-CG1 3.65Å; V502-I504 HydrophobicContact CG1-CD1 3.94Å; V502-M518 HydrophobicContact CG1-CG 4.39Å; V502-A521 HydrophobicContact CG2-CB 3.71Å; V502-V530 HydrophobicContact CG2-CG1 4.1Å; V502-R531 PolarHBondContact N-O 3.44Å; V502-V532 HydrophobicContact CB-CG1 4.37Å; V502-V532 HydrophobicContact CB-CG2 4.22Å; V502-V532 HydrophobicContact CG1-CG1 4.34Å; V502-V532 CarbonylContact O-C 3.58Å; V502-V532 VanDerWaalsContact O-CA 3.25Å; V502-V532 WeakPolarHBondContact O-CA 3.45Å; V502-F533 PolarHBondContact O-N 3.05Å
503	I	97.5	Very high	87	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	121.6	173.2	-56.5	176.3	0	0	0	108	L416 L419 L420 L423 V430 L431 L432 F433 V501 F533 L535	L416-I503 HydrophobicContact CD2-CD1 3.87Å; L416-I503 HydrophobicContact CD2-CG2 4.1Å; L419-I503 HydrophobicContact CD2-CD1 3.92Å; L420-I503 HydrophobicContact CD2-CD1 3.98Å; L423-I503 HydrophobicContact CD1-CD1 4.18Å; V430-I503 HydrophobicContact CG1-CD1 3.66Å; V430-I503 HydrophobicContact CG1-CG1 3.94Å; L431-I503 PolarHBondContact O-N 3.39Å; L432-I503 HydrophobicContact CD1-CB 3.69Å; L432-I503 HydrophobicContact CD1-CG2 3.59Å; F433-I503 PolarHBondContact N-O 3.47Å; V501-I503 HydrophobicContact CG1-CG1 4.19Å; I503-F533 CarbonylContact C-O 3.57Å; I503-F533 VanDerWaalsContact CA-O 3.31Å; I503-F533 WeakPolarHBondContact CA-O 3.41Å; I503-F533 HydrophobicContact CG1-CB 4.35Å; I503-F533 HydrophobicContact CG1-CD2 4.24Å; I503-L535 HydrophobicContact CG2-CD1 4.24Å; I503-L535 HydrophobicContact CG2-CD2 4.35Å; I503-L535 HydrophobicContact CG2-CG 4.1Å
504	I	96	Very high	88.1	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	101.2	169.7	-52.5	-58.2	0	0	0	107	F433 V502 D506 M518 V532 F533 R534 L535	F433-I504 HydrophobicContact CB-CD1 3.86Å; F433-I504 HydrophobicContact CD2-CD1 3.77Å; F433-I504 HydrophobicContact CG-CD1 4.13Å; V502-I504 HydrophobicContact CG1-CD1 3.94Å; I504-D506 WeakPolarHBondContact CG2-O 3.49Å; I504-M518 HydrophobicContact CG1-CE 4.17Å; I504-V532 HydrophobicContact CG1-CG1 4.37Å; I504-F533 PolarHBondContact N-O 3.08Å; I504-R534 HydrophobicContact CB-CG 4.39Å; I504-L535 PolarHBondContact O-N 3.04Å
505	Y	96.9	Very high	88.5	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	-67.3	-39.7	-178.6	-168.2	-95.6	0	0	0	111.7	N386 K412 L416 L432 F433 M439 L443 L535	N386-Y505 HydrophobicContact CB-CE1 4.18Å; N386-Y505 PolarHBondContact O-OH 3.38Å; K412-Y505 HydrophobicContact CB-CE1 4.47Å; K412-Y505 HydrophobicContact CB-CE2 3.77Å; K412-Y505 WeakPolarHBondContact CB-OH 3.46Å; K412-Y505 HydrophobicContact CD-CD1 4.38Å; K412-Y505 HydrophobicContact CD-CE1 3.97Å; K412-Y505 HydrophobicContact CD-CE2 4.39Å; K412-Y505 PolarHBondContact NZ-O 3.37Å; L416-Y505 HydrophobicContact CD1-CD2 3.63Å; L416-Y505 HydrophobicContact CD1-CE2 3.52Å; L416-Y505 HydrophobicContact CG-CD2 4.34Å; L416-Y505 HydrophobicContact CG-CE2 4.21Å; L432-Y505 HydrophobicContact CD1-CD2 4.47Å; F433-Y505 WeakPolarHBondContact O-CB 3.37Å; F433-Y505 PolarHBondContact O-N 3.02Å; M439-Y505 HydrophobicContact CE-CE1 3.71Å; M439-Y505 HydrophobicContact CE-CE2 4.5Å; M439-Y505 VanDerWaalsContact CE-OH 3.26Å; M439-Y505 WeakPolarHBondContact CE-OH 3.39Å; M439-Y505 HydrophobicContact CG-CD1 4.04Å; M439-Y505 HydrophobicContact CG-CE1 3.68Å; M439-Y505 HydrophobicContact SD-CE1 3.82Å; L443-Y505 HydrophobicContact CD2-CE2 4.17Å; Y505-L535 HydrophobicContact CD2-CD1 3.9Å; Y505-L535 HydrophobicContact CE2-CD1 4.28Å
506	D	94	Very high	88.5	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	-145.1	142.4	172.9	62.2	-18.6	0	0	0	111.4	R382 N386 C434 Q435 I504	R382-D506 IonicContact NH2-OD2 3.68Å; N386-D506 PolarHBondContact ND2-OD2 2.9Å; N386-D506 WeakPolarHBondContact OD1-CB 3.4Å; C434-D506 WeakPolarHBondContact CA-OD1 3.4Å; C434-D506 PolarHBondContact SG-OD1 2.7Å; Q435-D506 WeakPolarHBondContact CB-OD2 3.4Å; Q435-D506 PolarHBondContact N-OD1 3.42Å; I504-D506 WeakPolarHBondContact CG2-O 3.49Å
507	S	90.5	Very high	88.3	Confident	7 Å²	7	19.3 Å²	19.3	5%	0.049	10%	0.096	C	C	.	.			trans	-88.8	146	-170.6	-55.1	0	0	0	0	111.9	R382 R534	R382-S507 PolarHBondContact NH2-O 2.95Å; S507-R534 VanDerWaalsContact CB-NH1 3.33Å; S507-R534 PolarHBondContact OG-NH1 3.1Å
508	D	86.8	Confident	88.4	Confident	4 Å²	4	19 Å²	19	2%	0.021	9%	0.093	C	C	.	.			trans	-72.8	157.5	167.4	-155.3	-85.6	0	0	0	110.6	Q435 N510 V513 D514	Q435-D508 PolarHBondContact NE2-OD2 2.87Å; Q435-D508 PolarHBondContact OE1-OD2 3.15Å; D508-N510 PolarHBondContact O-N 3Å; D508-N510 WeakPolarHBondContact OD1-CB 3.46Å; D508-N510 PolarHBondContact OD1-N 3.4Å; D508-V513 HydrophobicContact CB-CB 3.93Å; D508-V513 HydrophobicContact CB-CG1 4.19Å; D508-D514 WeakPolarHBondContact CB-OD1 3.26Å; D508-D514 PolarHBondContact N-OD1 3.21Å; D508-D514 PolarHBondContact N-OD2 3.04Å
509	W	77.5	Confident	88.2	Confident	138 Å²	138	16.9 Å²	16.9	52%	0.523	8%	0.08	S	C	.	.	S	Bend	trans	-69	-16	169.3	54.1	31.7	0	0	0	112.5	L573	W509-L573 HydrophobicContact CD2-CD1 4.47Å; W509-L573 HydrophobicContact CE3-CD1 3.66Å; W509-L573 HydrophobicContact CZ3-CD1 4.27Å
510	N	75.3	Confident	87.7	Confident	34 Å²	34	17 Å²	17	18%	0.182	8%	0.08	C	C	.	.	S	Bend	trans	-114.4	106.1	-174.4	-178.7	18.6	0	0	0	106.8	D508 Q512 V513	D508-N510 PolarHBondContact O-N 3Å; D508-N510 WeakPolarHBondContact OD1-CB 3.46Å; D508-N510 PolarHBondContact OD1-N 3.4Å; N510-Q512 PolarHBondContact O-N 3.23Å; N510-V513 HydrophobicContact CB-CG2 4.05Å; N510-V513 WeakPolarHBondContact O-CB 3.07Å; N510-V513 PolarHBondContact O-N 3.34Å
511	P	81.8	Confident	87.4	Confident	9 Å²	9	16.3 Å²	16.3	6%	0.058	8%	0.077	C	C	.	.	H	α-helix	trans	-56.2	-28	-175.5	25.1	-37.3	0	0	0	112.6	V513 D514 L515 A549 K552 L553	P511-V513 VanDerWaalsContact C-N 3.28Å; P511-V513 PolarHBondContact O-N 3.07Å; P511-D514 PolarHBondContact O-N 2.97Å; P511-L515 WeakPolarHBondContact O-CG 3.42Å; P511-L515 PolarHBondContact O-N 2.74Å; P511-A549 HydrophobicContact CB-CB 4.03Å; P511-A549 HydrophobicContact CG-CB 4.36Å; P511-A549 VanDerWaalsContact CG-O 3.28Å; P511-A549 WeakPolarHBondContact CG-O 3.25Å; P511-K552 HydrophobicContact CG-CB 4.43Å; P511-K552 HydrophobicContact CG-CD 4.36Å; P511-K552 HydrophobicContact CG-CG 4.46Å; P511-L553 HydrophobicContact CB-CB 4.19Å; P511-L553 HydrophobicContact CB-CD1 3.99Å; P511-L553 HydrophobicContact CG-CB 4.17Å
512	Q	77.7	Confident	87	Confident	29 Å²	29	17 Å²	17	14%	0.136	8%	0.08	C	C	.	.	H	α-helix	trans	-61.1	-36.2	178.6	-62.2	171.3	-0.9	0	0	111.9	N510 L515 Q516 D556	N510-Q512 PolarHBondContact O-N 3.23Å; Q512-L515 PolarHBondContact O-N 2.79Å; Q512-Q516 WeakPolarHBondContact O-CG 3.26Å; Q512-Q516 PolarHBondContact O-N 3.47Å; Q512-D556 PolarHBondContact NE2-OD2 3.3Å
513	V	80.3	Confident	86.5	Confident	28 Å²	28	19 Å²	19	17%	0.17	9%	0.088	C	C	.	.	H	α-helix	trans	-65.2	-42.8	179.4	178.1	0	0	0	0	110.5	T487 D508 N510 P511 Q516 A517	T487-V513 HydrophobicContact CG2-CG1 3.79Å; D508-V513 HydrophobicContact CB-CB 3.93Å; D508-V513 HydrophobicContact CB-CG1 4.19Å; N510-V513 HydrophobicContact CB-CG2 4.05Å; N510-V513 WeakPolarHBondContact O-CB 3.07Å; N510-V513 PolarHBondContact O-N 3.34Å; P511-V513 VanDerWaalsContact C-N 3.28Å; P511-V513 PolarHBondContact O-N 3.07Å; V513-Q516 WeakPolarHBondContact O-CB 3.27Å; V513-Q516 PolarHBondContact O-N 2.98Å; V513-A517 PolarHBondContact O-N 3.21Å
514	D	87.4	Confident	85.5	Confident	1 Å²	1	21.3 Å²	21.3	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-70.7	-39.2	178.5	-64.4	-8.3	0	0	0	111.6	D508 P511 Q516 A517 M518 R534	D508-D514 WeakPolarHBondContact CB-OD1 3.26Å; D508-D514 PolarHBondContact N-OD1 3.21Å; D508-D514 PolarHBondContact N-OD2 3.04Å; P511-D514 PolarHBondContact O-N 2.97Å; D514-Q516 VanDerWaalsContact C-N 3.3Å; D514-Q516 PolarHBondContact O-N 3.23Å; D514-A517 WeakPolarHBondContact O-CB 3.36Å; D514-A517 PolarHBondContact O-N 3.36Å; D514-M518 HydrophobicContact CB-CE 4.36Å; D514-M518 WeakPolarHBondContact O-CG 3.47Å; D514-M518 PolarHBondContact O-N 3.49Å; D514-R534 IonicContact OD2-CZ 3.45Å; D514-R534 IonicContact OD2-NH1 3.29Å; D514-R534 PolarHBondContact OD2-NH1 3.19Å; D514-R534 IonicContact OD2-NH2 3.26Å
515	L	84.4	Confident	84.7	Confident	54 Å²	54	24 Å²	24	28%	0.283	13%	0.127	S	C	.	.	H	α-helix	trans	-58.3	-42.5	173	-76.3	178.3	0	0	0	111.9	P511 Q512 A517 M518 D519 L553	P511-L515 WeakPolarHBondContact O-CG 3.42Å; P511-L515 PolarHBondContact O-N 2.74Å; Q512-L515 PolarHBondContact O-N 2.79Å; L515-A517 VanDerWaalsContact C-N 3.29Å; L515-A517 PolarHBondContact O-N 2.94Å; L515-M518 HydrophobicContact CD2-SD 4.48Å; L515-M518 PolarHBondContact O-N 3.34Å; L515-D519 WeakPolarHBondContact O-CB 3.13Å; L515-D519 VanDerWaalsContact O-CG 3.27Å; L515-D519 PolarHBondContact O-N 2.83Å; L515-L553 HydrophobicContact CD1-CD1 3.5Å; L515-L553 VanDerWaalsContact CD1-CD1 3.5Å; L515-L553 HydrophobicContact CD2-CD1 4.3Å; L515-L553 HydrophobicContact CG-CD1 4.04Å
516	Q	83.4	Confident	84.2	Confident	31 Å²	31	24.5 Å²	24.5	15%	0.145	13%	0.13	C	C	.	.	H	α-helix	trans	-62.5	-37.7	177.4	-72.7	-174	-3.1	0	0	112.7	M135 Q512 V513 D514 R520	M135-Q516 HydrophobicContact CE-CB 4.04Å; M135-Q516 HydrophobicContact CE-CG 3.61Å; M135-Q516 HydrophobicContact SD-CB 4.49Å; M135-Q516 HydrophobicContact SD-CG 3.48Å; M135-Q516 WeakPolarHBondContact SD-CG 3.48Å; Q512-Q516 WeakPolarHBondContact O-CG 3.26Å; Q512-Q516 PolarHBondContact O-N 3.47Å; V513-Q516 WeakPolarHBondContact O-CB 3.27Å; V513-Q516 PolarHBondContact O-N 2.98Å; D514-Q516 VanDerWaalsContact C-N 3.3Å; D514-Q516 PolarHBondContact O-N 3.23Å; Q516-R520 PolarHBondContact O-NE 3.4Å
517	A	85.6	Confident	83.9	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-66	-45.3	175	0	0	0	0	0	111.3	F433 T487 V513 D514 L515 D519 R520	F433-A517 HydrophobicContact CD1-CB 3.78Å; F433-A517 HydrophobicContact CD2-CB 4.04Å; F433-A517 HydrophobicContact CE1-CB 3.67Å; F433-A517 HydrophobicContact CE2-CB 3.9Å; F433-A517 WeakPolarHBondContact CE2-O 3.46Å; F433-A517 HydrophobicContact CG-CB 3.96Å; F433-A517 HydrophobicContact CZ-CB 3.72Å; F433-A517 VanDerWaalsContact CZ-O 3.3Å; F433-A517 WeakPolarHBondContact CZ-O 3.26Å; T487-A517 HydrophobicContact CG2-CB 4.08Å; V513-A517 PolarHBondContact O-N 3.21Å; D514-A517 WeakPolarHBondContact O-CB 3.36Å; D514-A517 PolarHBondContact O-N 3.36Å; L515-A517 VanDerWaalsContact C-N 3.29Å; L515-A517 PolarHBondContact O-N 2.94Å; A517-D519 VanDerWaalsContact C-N 3.32Å; A517-D519 PolarHBondContact O-N 3.43Å; A517-R520 VanDerWaalsContact O-CB 3.26Å; A517-R520 WeakPolarHBondContact O-CB 3.47Å; A517-R520 WeakPolarHBondContact O-CG 3.34Å; A517-R520 PolarHBondContact O-N 3.49Å; A517-R520 VanDerWaalsContact O-N 3.14Å
518	M	88.9	Confident	83.9	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.6	-39.5	175	-63.9	173.2	-162.3	0	0	112.4	V502 I504 D514 L515 R520 A521 H522 V532	V502-M518 HydrophobicContact CG1-CG 4.39Å; I504-M518 HydrophobicContact CG1-CE 4.17Å; D514-M518 HydrophobicContact CB-CE 4.36Å; D514-M518 WeakPolarHBondContact O-CG 3.47Å; D514-M518 PolarHBondContact O-N 3.49Å; L515-M518 HydrophobicContact CD2-SD 4.48Å; L515-M518 PolarHBondContact O-N 3.34Å; M518-R520 PolarHBondContact O-N 3.27Å; M518-A521 PolarHBondContact O-N 2.88Å; M518-H522 PolarHBondContact O-N 3.08Å; M518-V532 HydrophobicContact CE-CG1 3.73Å; M518-V532 HydrophobicContact CG-CG1 4.02Å; M518-V532 HydrophobicContact CG-CG2 4.17Å; M518-V532 HydrophobicContact SD-CG1 3.9Å; M518-V532 HydrophobicContact SD-CG2 4.17Å
519	D	85.4	Confident	84.1	Confident	7 Å²	7	37.4 Å²	37.4	4%	0.037	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-3.2	178.4	-73.8	-17.6	0	0	0	113.6	M135 K324 K334 L515 A517 A521 R523	M135-D519 HydrophobicContact CB-CB 4.45Å; M135-D519 WeakPolarHBondContact CB-OD2 3.4Å; K324-D519 VanDerWaalsContact NZ-CG 3.26Å; K324-D519 IonicContact NZ-OD1 3.46Å; K324-D519 PolarHBondContact NZ-OD1 3.49Å; K324-D519 IonicContact NZ-OD2 3.07Å; K334-D519 IonicContact NZ-OD1 3.84Å; L515-D519 WeakPolarHBondContact O-CB 3.13Å; L515-D519 VanDerWaalsContact O-CG 3.27Å; L515-D519 PolarHBondContact O-N 2.83Å; A517-D519 VanDerWaalsContact C-N 3.32Å; A517-D519 PolarHBondContact O-N 3.43Å; D519-A521 VanDerWaalsContact C-N 3.35Å; D519-R523 WeakPolarHBondContact O-CB 3.42Å
520	R	85.3	Confident	84.9	Confident	1 Å²	1	30.9 Å²	30.9	0%	0.004	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-36.9	167.9	-60.4	-51	90.3	-172.3	5	111.8	L431 F433 G490 L492 I494 L496 A497 Q516 A517 M518	L431-R520 HydrophobicContact CD1-CB 4.15Å; F433-R520 HydrophobicContact CZ-CG 4.22Å; G490-R520 VanDerWaalsContact O-CD 3.23Å; G490-R520 WeakPolarHBondContact O-CD 2.99Å; G490-R520 WeakPolarHBondContact O-CG 3.44Å; L492-R520 WeakPolarHBondContact O-CD 3.05Å; L492-R520 PolarHBondContact O-NH1 3.1Å; I494-R520 HydrophobicContact CG1-CG 4.32Å; I494-R520 VanDerWaalsContact N-NH1 3.19Å; I494-R520 WeakPolarHBondContact O-CD 3.1Å; I494-R520 PolarHBondContact O-NH1 2.89Å; L496-R520 CarbonylContact C-O 3.53Å; L496-R520 HydrophobicContact CB-CB 4.46Å; L496-R520 PolarHBondContact N-O 3.2Å; A497-R520 PolarHBondContact N-O 3.41Å; Q516-R520 PolarHBondContact O-NE 3.4Å; A517-R520 VanDerWaalsContact O-CB 3.26Å; A517-R520 WeakPolarHBondContact O-CB 3.47Å; A517-R520 WeakPolarHBondContact O-CG 3.34Å; A517-R520 PolarHBondContact O-N 3.49Å; A517-R520 VanDerWaalsContact O-N 3.14Å; M518-R520 PolarHBondContact O-N 3.27Å
521	A	88.2	Confident	85.9	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-41.4	177.2	0	0	0	0	0	111.9	L431 A499 V502 M518 D519 R523 Q526 V530	L431-A521 HydrophobicContact CD1-CB 3.9Å; A499-A521 HydrophobicContact CB-CB 4.36Å; A499-A521 WeakPolarHBondContact O-CB 3.33Å; V502-A521 HydrophobicContact CG2-CB 3.71Å; M518-A521 PolarHBondContact O-N 2.88Å; D519-A521 VanDerWaalsContact C-N 3.35Å; A521-R523 VanDerWaalsContact C-N 3.34Å; A521-R523 PolarHBondContact O-N 2.76Å; A521-R523 VanDerWaalsContact O-N 3.08Å; A521-Q526 PolarHBondContact O-NE2 3.07Å; A521-V530 HydrophobicContact CB-CG1 4.24Å
522	H	87.9	Confident	86.6	Confident	14 Å²	14	32.3 Å²	32.3	7%	0.065	18%	0.177	C	C	.	.	S	Bend	trans	-85.9	72.1	178.8	-167.7	-111.5	0	0	0	111.9	K324 L331 P332 K334 M518 V530	K324-H522 PolarHBondContact NZ-O 3.33Å; L331-H522 WeakPolarHBondContact CD2-CE1 3.44Å; L331-H522 WeakPolarHBondContact CD2-NE2 3.4Å; P332-H522 PolarHBondContact O-NE2 3.45Å; K334-H522 HydrophobicContact CD-CB 4.39Å; M518-H522 PolarHBondContact O-N 3.08Å; H522-V530 HydrophobicContact CB-CB 4.43Å; H522-V530 HydrophobicContact CB-CG2 4.17Å
523	R	85.5	Confident	87.5	Confident	43 Å²	43	31 Å²	31	16%	0.162	17%	0.171	C	C	.	.	S	Bend	trans	-141.8	163.8	-177.9	-173	156.6	-173.4	178	3.8	111	L331 D519 A521 G525 Q526	L331-R523 WeakPolarHBondContact CD1-O 3.13Å; D519-R523 WeakPolarHBondContact O-CB 3.42Å; A521-R523 VanDerWaalsContact C-N 3.34Å; A521-R523 PolarHBondContact O-N 2.76Å; A521-R523 VanDerWaalsContact O-N 3.08Å; R523-G525 PolarHBondContact O-N 3.34Å; R523-Q526 VanDerWaalsContact O-CB 3.22Å; R523-Q526 WeakPolarHBondContact O-CB 3.4Å; R523-Q526 PolarHBondContact O-N 2.98Å
524	I	75.8	Confident	88.3	Confident	47 Å²	47	30.7 Å²	30.7	24%	0.241	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	128.2	173	-60.5	167.8	0	0	0	109.4	Y111 G136	Y111-I524 WeakPolarHBondContact OH-CD1 3.47Å; G136-I524 WeakPolarHBondContact O-CD1 3.44Å; G136-I524 WeakPolarHBondContact O-CG1 3.45Å
525	G	80.2	Confident	88.7	Confident	57 Å²	57	30.6 Å²	30.6	59%	0.588	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	110.2	-18	-172.2	0	0	0	0	0	113.2	R523 T527	R523-G525 PolarHBondContact O-N 3.34Å; G525-T527 PolarHBondContact O-N 2.8Å
526	Q	87.3	Confident	89.2	Confident	11 Å²	11	28 Å²	28	5%	0.051	15%	0.153	C	C	.	.			trans	-69.2	127.5	172.4	178.8	60.6	-97.9	0	0	111.3	L331 A497 A499 A521 R523 K528 V530	L331-Q526 HydrophobicContact CD1-CB 4.11Å; A497-Q526 HydrophobicContact CB-CB 4.46Å; A497-Q526 PolarHBondContact O-NE2 3.38Å; A497-Q526 PolarHBondContact O-OE1 3.44Å; A499-Q526 PolarHBondContact O-NE2 2.86Å; A521-Q526 PolarHBondContact O-NE2 3.07Å; R523-Q526 VanDerWaalsContact O-CB 3.22Å; R523-Q526 WeakPolarHBondContact O-CB 3.4Å; R523-Q526 PolarHBondContact O-N 2.98Å; Q526-K528 VanDerWaalsContact CD-O 3.32Å; Q526-K528 WeakPolarHBondContact CG-O 3.48Å; Q526-K528 PolarHBondContact OE1-O 3.35Å; Q526-V530 HydrophobicContact CG-CG2 3.76Å
527	T	87	Confident	89.7	Confident	122 Å²	122	26.6 Å²	26.6	75%	0.748	15%	0.147	S	C	*	.			trans	-105.4	-15.1	179.8	58.6	0	0	0	0	113	G525	G525-T527 PolarHBondContact O-N 2.8Å
528	K	89.9	Confident	89.9	Confident	96 Å²	96	27.3 Å²	27.3	42%	0.417	15%	0.15	S	C	.	.	S	Bend	trans	-111.8	155.7	-179.1	-64.1	179.9	177.1	-177.2	0	111.3	D500 Q526 V530	D500-K528 HydrophobicContact CB-CB 3.85Å; D500-K528 HydrophobicContact CB-CD 3.8Å; D500-K528 HydrophobicContact CB-CG 4.49Å; Q526-K528 VanDerWaalsContact CD-O 3.32Å; Q526-K528 WeakPolarHBondContact CG-O 3.48Å; Q526-K528 PolarHBondContact OE1-O 3.35Å; K528-V530 PolarHBondContact O-N 3.48Å
529	T	92.1	Very high	89.8	Confident	64 Å²	64	30.1 Å²	30.1	39%	0.393	16%	0.163	S	C	.	.	P	Polyproline II helix	trans	-63	126.2	169.6	-59.6	0	0	0	0	109.6	P333	P333-T529 HydrophobicContact CG-CG2 4.45Å; P333-T529 VanDerWaalsContact O-CG2 3.29Å; P333-T529 WeakPolarHBondContact O-CG2 3.38Å
530	V	94.4	Very high	90.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	121.7	179.9	-179.2	0	0	0	0	110	P333 K334 K335 D500 V502 A521 H522 Q526 K528 V532	P333-V530 PolarHBondContact O-N 3.29Å; K334-V530 CarbonylContact C-O 3.49Å; K334-V530 VanDerWaalsContact CA-O 3.26Å; K334-V530 WeakPolarHBondContact CA-O 3.38Å; K334-V530 HydrophobicContact CB-CB 4.28Å; K335-V530 PolarHBondContact N-O 3.02Å; D500-V530 CarbonylContact O-C 3.57Å; D500-V530 VanDerWaalsContact O-CA 3.31Å; D500-V530 WeakPolarHBondContact O-CA 3.47Å; V502-V530 HydrophobicContact CG2-CG1 4.1Å; A521-V530 HydrophobicContact CB-CG1 4.24Å; H522-V530 HydrophobicContact CB-CB 4.43Å; H522-V530 HydrophobicContact CB-CG2 4.17Å; Q526-V530 HydrophobicContact CG-CG2 3.76Å; K528-V530 PolarHBondContact O-N 3.48Å; V530-V532 HydrophobicContact CG1-CG2 4.22Å
531	R	95.8	Very high	90.2	Very high	72 Å²	72	29.7 Å²	29.7	27%	0.272	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	122.6	174.9	-63.7	168.9	69.2	-168.9	7	109.2	D500 V501 V502 F533	D500-R531 PolarHBondContact O-N 3.42Å; V501-R531 CarbonylContact C-O 3.46Å; V501-R531 WeakPolarHBondContact CA-O 3.34Å; V502-R531 PolarHBondContact N-O 3.44Å; R531-F533 HydrophobicContact CB-CE2 4.16Å; R531-F533 HydrophobicContact CB-CZ 4.26Å
532	V	96.3	Very high	90.4	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	119.4	178.4	-174.6	0	0	0	0	108.8	K335 E336 C337 V502 I504 M518 V530	K335-V532 PolarHBondContact O-N 3.41Å; E336-V532 CarbonylContact C-O 3.59Å; E336-V532 WeakPolarHBondContact CA-O 3.29Å; E336-V532 HydrophobicContact CB-CB 4.22Å; E336-V532 HydrophobicContact CG-CB 4.26Å; E336-V532 HydrophobicContact CG-CG1 4.23Å; C337-V532 PolarHBondContact N-O 3.33Å; V502-V532 HydrophobicContact CB-CG1 4.37Å; V502-V532 HydrophobicContact CB-CG2 4.22Å; V502-V532 HydrophobicContact CG1-CG1 4.34Å; V502-V532 CarbonylContact O-C 3.58Å; V502-V532 VanDerWaalsContact O-CA 3.25Å; V502-V532 WeakPolarHBondContact O-CA 3.45Å; I504-V532 HydrophobicContact CG1-CG1 4.37Å; M518-V532 HydrophobicContact CE-CG1 3.73Å; M518-V532 HydrophobicContact CG-CG1 4.02Å; M518-V532 HydrophobicContact CG-CG2 4.17Å; M518-V532 HydrophobicContact SD-CG1 3.9Å; M518-V532 HydrophobicContact SD-CG2 4.17Å; V530-V532 HydrophobicContact CG1-CG2 4.22Å
533	F	96.8	Very high	90.4	Very high	3 Å²	3	31.1 Å²	31.1	1%	0.013	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	116.2	174.2	-59.3	-68.9	0	0	0	109.7	C337 I339 L419 L423 V501 V502 I503 I504 R531 L606	C337-F533 HydrophobicContact CB-CD1 4.11Å; C337-F533 HydrophobicContact CB-CE1 4.41Å; C337-F533 WeakPolarHBondContact O-CA 3.45Å; I339-F533 HydrophobicContact CD1-CB 3.93Å; I339-F533 HydrophobicContact CD1-CD1 3.67Å; I339-F533 HydrophobicContact CD1-CG 4.08Å; I339-F533 HydrophobicContact CG1-CD1 4.31Å; L419-F533 HydrophobicContact CD1-CE2 4.42Å; L419-F533 HydrophobicContact CD2-CB 4.48Å; L419-F533 HydrophobicContact CD2-CD2 4.11Å; L419-F533 HydrophobicContact CD2-CG 4.25Å; L423-F533 HydrophobicContact CD1-CE2 4.46Å; L423-F533 HydrophobicContact CD2-CE2 4.25Å; V501-F533 HydrophobicContact CG1-CD2 3.73Å; V501-F533 HydrophobicContact CG1-CE2 3.7Å; V502-F533 PolarHBondContact O-N 3.05Å; I503-F533 CarbonylContact C-O 3.57Å; I503-F533 VanDerWaalsContact CA-O 3.31Å; I503-F533 WeakPolarHBondContact CA-O 3.41Å; I503-F533 HydrophobicContact CG1-CB 4.35Å; I503-F533 HydrophobicContact CG1-CD2 4.24Å; I504-F533 PolarHBondContact N-O 3.08Å; R531-F533 HydrophobicContact CB-CE2 4.16Å; R531-F533 HydrophobicContact CB-CZ 4.26Å; F533-L606 HydrophobicContact CD1-CD2 4Å; F533-L606 HydrophobicContact CE1-CD2 3.65Å; F533-L606 HydrophobicContact CZ-CD2 4.47Å
534	R	96.3	Very high	90.3	Very high	20 Å²	20	30.9 Å²	30.9	8%	0.075	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	117.4	175.8	-177.8	179.8	-63	-86.5	5.4	109.3	E336 C337 K338 I339 I504 S507 D514 I536 I546	E336-R534 IonicContact OE1-CZ 3.89Å; E336-R534 IonicContact OE1-NE 3.94Å; E336-R534 PolarHBondContact OE1-NE 3.22Å; E336-R534 IonicContact OE1-NH2 2.79Å; E336-R534 PolarHBondContact OE1-NH2 3.19Å; E336-R534 VanDerWaalsContact OE1-NH2 3.15Å; C337-R534 PolarHBondContact O-N 2.69Å; K338-R534 HydrophobicContact CG-CB 4.44Å; I339-R534 PolarHBondContact N-O 3.11Å; I504-R534 HydrophobicContact CB-CG 4.39Å; S507-R534 VanDerWaalsContact CB-NH1 3.33Å; S507-R534 PolarHBondContact OG-NH1 3.1Å; D514-R534 IonicContact OD2-CZ 3.45Å; D514-R534 IonicContact OD2-NH1 3.29Å; D514-R534 PolarHBondContact OD2-NH1 3.19Å; D514-R534 IonicContact OD2-NH2 3.26Å; R534-I536 HydrophobicContact CG-CG1 4.32Å; R534-I546 HydrophobicContact CG-CD1 4.19Å
535	L	96.4	Very high	90.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	130.7	-178.5	-49.5	-166	0	0	0	110.2	I339 K412 L415 L416 I503 I504 Y505	I339-L535 HydrophobicContact CB-CD2 4.25Å; I339-L535 HydrophobicContact CD1-CD2 4.04Å; K412-L535 HydrophobicContact CB-CD1 4.39Å; K412-L535 HydrophobicContact CD-CB 4.36Å; K412-L535 HydrophobicContact CG-CB 4.44Å; L415-L535 HydrophobicContact CD2-CD1 4.32Å; L415-L535 HydrophobicContact CD2-CD2 3.52Å; L415-L535 HydrophobicContact CD2-CG 4.4Å; L415-L535 HydrophobicContact CG-CD2 4.48Å; L416-L535 HydrophobicContact CD2-CD1 4.16Å; L416-L535 HydrophobicContact CG-CD1 4.13Å; I503-L535 HydrophobicContact CG2-CD1 4.24Å; I503-L535 HydrophobicContact CG2-CD2 4.35Å; I503-L535 HydrophobicContact CG2-CG 4.1Å; I504-L535 PolarHBondContact O-N 3.04Å; Y505-L535 HydrophobicContact CD2-CD1 3.9Å; Y505-L535 HydrophobicContact CE2-CD1 4.28Å
536	I	94.9	Very high	91.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	125.8	-175.6	-44.1	-178.3	0	0	0	108.9	K338 I339 Y340 I341 R534 E538 E542 E543 I546	K338-I536 HydrophobicContact CB-CD1 3.72Å; K338-I536 HydrophobicContact CD-CD1 4.31Å; K338-I536 HydrophobicContact CG-CD1 4.07Å; I339-I536 PolarHBondContact O-N 3.16Å; Y340-I536 CarbonylContact C-O 3.54Å; Y340-I536 WeakPolarHBondContact CA-O 3.26Å; Y340-I536 HydrophobicContact CD1-CB 4.14Å; Y340-I536 HydrophobicContact CD1-CD1 4.39Å; Y340-I536 HydrophobicContact CD1-CG2 4.15Å; Y340-I536 HydrophobicContact CE1-CB 4.35Å; Y340-I536 HydrophobicContact CE1-CD1 3.89Å; Y340-I536 HydrophobicContact CE1-CG2 4.12Å; Y340-I536 HydrophobicContact CE2-CD1 4.17Å; I341-I536 PolarHBondContact N-O 3.34Å; R534-I536 HydrophobicContact CG-CG1 4.32Å; I536-E538 PolarHBondContact O-N 3.37Å; I536-E542 HydrophobicContact CG2-CB 4.13Å; I536-E543 HydrophobicContact CG2-CG 3.82Å; I536-I546 HydrophobicContact CB-CD1 4.11Å; I536-I546 HydrophobicContact CD1-CD1 3.25Å; I536-I546 HydrophobicContact CD1-CG1 4.49Å; I536-I546 HydrophobicContact CD1-CG2 4.36Å; I536-I546 HydrophobicContact CG1-CD1 3.28Å; I536-I546 HydrophobicContact CG2-CD1 3.87Å
537	T	93.3	Very high	90.9	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	119.3	171.6	-53.1	0	0	0	0	111.3	I341 L343 K412 T540 E542	I341-T537 CarbonylContact O-C 3.52Å; I341-T537 WeakPolarHBondContact O-CA 3.33Å; L343-T537 HydrophobicContact CD2-CG2 3.52Å; L343-T537 HydrophobicContact CG-CG2 3.62Å; K412-T537 WeakPolarHBondContact CE-OG1 3.19Å; T537-T540 HydrophobicContact CG2-CG2 3.61Å; T537-T540 PolarHBondContact O-OG1 3Å; T537-E542 PolarHBondContact N-OE2 3.16Å; T537-E542 PolarHBondContact OG1-OE2 2.97Å
538	E	89.3	Confident	90.6	Very high	15 Å²	15	24.9 Å²	24.9	7%	0.07	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	143.1	-178	-73.2	-170.5	154.6	0	0	112.2	Y340 I341 I536 T540 E543 R608 K612	Y340-E538 WeakPolarHBondContact CB-OE1 3.24Å; Y340-E538 HydrophobicContact CD1-CG 4.14Å; Y340-E538 HydrophobicContact CG-CG 4.33Å; I341-E538 PolarHBondContact O-N 3.39Å; I536-E538 PolarHBondContact O-N 3.37Å; E538-T540 WeakPolarHBondContact O-CG2 3.41Å; E538-T540 PolarHBondContact O-N 2.81Å; E538-E543 WeakPolarHBondContact CA-OE1 3.33Å; E538-R608 IonicContact OE1-CZ 3.62Å; E538-R608 IonicContact OE1-NH2 2.71Å; E538-K612 IonicContact OE1-NZ 3.96Å; E538-K612 PolarHBondContact OE1-NZ 3.41Å
539	H	86.9	Confident	90.1	Very high	58 Å²	58	20.8 Å²	20.8	27%	0.269	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	32.5	177.1	-51.8	-58.5	0	0	0	114	E543 G585 Y588 I589	H539-E543 VanDerWaalsContact N-CD 3.28Å; H539-E543 PolarHBondContact N-OE1 3.32Å; H539-E543 PolarHBondContact N-OE2 2.85Å; H539-G585 WeakPolarHBondContact O-CA 3.48Å; H539-Y588 HydrophobicContact CB-CD1 3.64Å; H539-Y588 HydrophobicContact CB-CE1 4.14Å; H539-Y588 HydrophobicContact CB-CG 4.23Å; H539-Y588 AromaticContact CD2-CD1 3.55Å; H539-Y588 AromaticContact CD2-CE1 3.2Å; H539-Y588 WeakPolarHBondContact CD2-CE1 3.28Å; H539-Y588 AromaticContact CD2-CZ 3.5Å; H539-Y588 VanDerWaalsContact CD2-CZ 3.5Å; H539-Y588 AromaticContact CG-CD1 3.58Å; H539-Y588 AromaticContact CG-CE1 3.76Å; H539-Y588 AromaticContact CG-CG 3.98Å; H539-Y588 AromaticContact NE2-CE1 3.87Å; H539-Y588 AromaticContact NE2-CE2 3.93Å; H539-Y588 AromaticContact NE2-CZ 3.64Å; H539-I589 WeakPolarHBondContact O-CD1 3.28Å
540	T	91.8	Very high	89.7	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.086	C	C	.	.	S	Bend	trans	-124.2	179.1	177	73.1	0	0	0	0	112.9	L343 Y351 T537 E538 E542 E543 H584	L343-T540 HydrophobicContact CD1-CG2 3.92Å; L343-T540 HydrophobicContact CD2-CG2 4.19Å; L343-T540 HydrophobicContact CG-CG2 4.12Å; Y351-T540 HydrophobicContact CE2-CG2 3.91Å; T537-T540 HydrophobicContact CG2-CG2 3.61Å; T537-T540 PolarHBondContact O-OG1 3Å; E538-T540 WeakPolarHBondContact O-CG2 3.41Å; E538-T540 PolarHBondContact O-N 2.81Å; T540-E542 PolarHBondContact O-N 3.4Å; T540-E542 VanDerWaalsContact O-N 3.15Å; T540-E542 PolarHBondContact OG1-N 3.08Å; T540-E543 PolarHBondContact O-N 3.34Å; T540-H584 PolarHBondContact O-ND1 3.06Å
541	V	88.8	Confident	88.8	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-52.9	-27.8	170.5	-70.2	0	0	0	0	113.3	Y351 L378 L381 R382 E543 R544 I545 M581	Y351-V541 WeakPolarHBondContact OH-CG1 3.45Å; Y351-V541 PolarHBondContact OH-N 3.33Å; Y351-V541 VanDerWaalsContact OH-N 3.14Å; L378-V541 HydrophobicContact CD1-CB 3.77Å; L378-V541 HydrophobicContact CD1-CG1 3.66Å; L378-V541 HydrophobicContact CD1-CG2 4.19Å; L381-V541 HydrophobicContact CB-CG1 4.15Å; L381-V541 HydrophobicContact CB-CG2 3.87Å; L381-V541 HydrophobicContact CD1-CG1 3.63Å; R382-V541 HydrophobicContact CG-CG2 4.33Å; V541-E543 PolarHBondContact O-N 3.04Å; V541-R544 PolarHBondContact O-N 2.88Å; V541-I545 WeakPolarHBondContact O-CG1 3.49Å; V541-I545 PolarHBondContact O-N 2.95Å; V541-I545 VanDerWaalsContact O-N 3.11Å; V541-M581 VanDerWaalsContact CG1-O 3.31Å; V541-M581 WeakPolarHBondContact CG1-O 2.74Å
542	E	90.7	Very high	87.7	Confident	8 Å²	8	17.5 Å²	17.5	4%	0.037	8%	0.08	C	C	.	.	H	α-helix	trans	-65.8	-36.6	-175.7	-63.8	-159.9	129.3	0	0	113	C385 K412 I536 T537 T540 R544 I545 I546	C385-E542 HydrophobicContact CB-CG 4.09Å; K412-E542 WeakPolarHBondContact CE-OE2 3.32Å; K412-E542 IonicContact NZ-OE1 3.36Å; K412-E542 PolarHBondContact NZ-OE1 2.92Å; K412-E542 IonicContact NZ-OE2 3.62Å; K412-E542 PolarHBondContact NZ-OE2 3.07Å; I536-E542 HydrophobicContact CG2-CB 4.13Å; T537-E542 PolarHBondContact N-OE2 3.16Å; T537-E542 PolarHBondContact OG1-OE2 2.97Å; T540-E542 PolarHBondContact O-N 3.4Å; T540-E542 VanDerWaalsContact O-N 3.15Å; T540-E542 PolarHBondContact OG1-N 3.08Å; E542-R544 VanDerWaalsContact C-N 3.3Å; E542-R544 PolarHBondContact O-N 2.9Å; E542-I545 PolarHBondContact O-N 2.8Å; E542-I546 WeakPolarHBondContact O-CG1 3.26Å; E542-I546 PolarHBondContact O-N 3.07Å
543	E	89.6	Confident	86.8	Confident	35 Å²	35	20 Å²	20	16%	0.164	9%	0.093	C	C	.	.	H	α-helix	trans	-60.7	-40.9	177.2	-68.5	-175.2	156.4	0	0	111.4	Y340 I536 E538 H539 T540 V541 I546 M547 H584	Y340-E543 HydrophobicContact CE1-CG 4.2Å; I536-E543 HydrophobicContact CG2-CG 3.82Å; E538-E543 WeakPolarHBondContact CA-OE1 3.33Å; H539-E543 VanDerWaalsContact N-CD 3.28Å; H539-E543 PolarHBondContact N-OE1 3.32Å; H539-E543 PolarHBondContact N-OE2 2.85Å; T540-E543 PolarHBondContact O-N 3.34Å; V541-E543 PolarHBondContact O-N 3.04Å; E543-I546 PolarHBondContact O-N 3.06Å; E543-M547 WeakPolarHBondContact O-CB 3.4Å; E543-M547 PolarHBondContact O-N 2.79Å; E543-H584 IonicContact OE2-CE1 3.73Å; E543-H584 PolarHBondContact OE2-CE1 2.86Å; E543-H584 IonicContact OE2-ND1 2.89Å
544	R	83.7	Confident	85.6	Confident	39 Å²	39	22.1 Å²	22.1	15%	0.147	10%	0.103	C	C	.	.	H	α-helix	trans	-72.4	-36.2	177.8	-66.9	-73.5	171.4	139.2	-10.5	112.5	V541 E542 I546 R548 D580 M581 H584	V541-R544 PolarHBondContact O-N 2.88Å; E542-R544 VanDerWaalsContact C-N 3.3Å; E542-R544 PolarHBondContact O-N 2.9Å; R544-I546 VanDerWaalsContact C-N 3.28Å; R544-I546 PolarHBondContact O-N 3.14Å; R544-R548 VanDerWaalsContact O-CB 3.3Å; R544-R548 WeakPolarHBondContact O-CB 3.3Å; R544-R548 PolarHBondContact O-N 2.88Å; R544-D580 IonicContact CZ-OD2 3.98Å; R544-D580 IonicContact NH1-OD1 3.26Å; R544-D580 IonicContact NH1-OD2 2.65Å; R544-D580 PolarHBondContact NH1-OD2 3.44Å; R544-M581 HydrophobicContact CB-CB 4.29Å; R544-M581 HydrophobicContact CB-CG 3.68Å; R544-M581 HydrophobicContact CG-CG 4.5Å; R544-H584 HydrophobicContact CG-CB 3.56Å; R544-H584 VanDerWaalsContact CG-ND1 3.29Å; R544-H584 WeakPolarHBondContact CG-ND1 3.45Å; R544-H584 PolarHBondContact NE-CD2 3.46Å; R544-H584 VanDerWaalsContact NE-CG 3.29Å; R544-H584 PolarHBondContact NE-ND1 3.27Å; R544-H584 PolarHBondContact NH2-CD2 2.93Å
545	I	85.2	Confident	84.2	Confident	14 Å²	14	22.2 Å²	22.2	7%	0.072	11%	0.105	C	C	.	.	H	α-helix	trans	-58.4	-46.4	175	-69.6	167.9	0	0	0	109.4	R382 V541 E542 A549 M581	R382-I545 HydrophobicContact CG-CD1 4.18Å; V541-I545 WeakPolarHBondContact O-CG1 3.49Å; V541-I545 PolarHBondContact O-N 2.95Å; V541-I545 VanDerWaalsContact O-N 3.11Å; E542-I545 PolarHBondContact O-N 2.8Å; I545-A549 WeakPolarHBondContact O-CB 3.4Å; I545-A549 PolarHBondContact O-N 3.21Å; I545-M581 HydrophobicContact CG1-SD 3.95Å
546	I	87.6	Confident	82.7	Confident	6 Å²	6	23.6 Å²	23.6	3%	0.031	11%	0.112	C	C	.	.	H	α-helix	trans	-69	-51	-179.3	-69.4	168.6	0	0	0	110.7	R534 I536 E542 E543 R544 R548 A549 E550	R534-I546 HydrophobicContact CG-CD1 4.19Å; I536-I546 HydrophobicContact CB-CD1 4.11Å; I536-I546 HydrophobicContact CD1-CD1 3.25Å; I536-I546 HydrophobicContact CD1-CG1 4.49Å; I536-I546 HydrophobicContact CD1-CG2 4.36Å; I536-I546 HydrophobicContact CG1-CD1 3.28Å; I536-I546 HydrophobicContact CG2-CD1 3.87Å; E542-I546 WeakPolarHBondContact O-CG1 3.26Å; E542-I546 PolarHBondContact O-N 3.07Å; E543-I546 PolarHBondContact O-N 3.06Å; R544-I546 VanDerWaalsContact C-N 3.28Å; R544-I546 PolarHBondContact O-N 3.14Å; I546-R548 PolarHBondContact O-N 2.87Å; I546-R548 VanDerWaalsContact O-N 3.17Å; I546-A549 WeakPolarHBondContact O-CA 3.49Å; I546-A549 WeakPolarHBondContact O-CB 3.45Å; I546-A549 PolarHBondContact O-N 3.02Å; I546-E550 HydrophobicContact CG2-CG 4.27Å; I546-E550 VanDerWaalsContact O-CG 3.31Å; I546-E550 WeakPolarHBondContact O-CG 3.34Å; I546-E550 PolarHBondContact O-N 2.73Å
547	M	82.9	Confident	81.3	Confident	60 Å²	60	27.6 Å²	27.6	30%	0.296	13%	0.133	S	C	.	.	H	α-helix	trans	-53.8	-41.3	178.9	-171.4	176.1	173.4	0	0	111.9	E543 E550 M551 F633	E543-M547 WeakPolarHBondContact O-CB 3.4Å; E543-M547 PolarHBondContact O-N 2.79Å; M547-E550 PolarHBondContact O-N 3.08Å; M547-M551 HydrophobicContact CG-CE 4.24Å; M547-M551 WeakPolarHBondContact O-CG 3.28Å; M547-M551 PolarHBondContact O-N 3.46Å; M547-F633 HydrophobicContact CE-CD1 3.63Å; M547-F633 HydrophobicContact CE-CE1 3.87Å; M547-F633 HydrophobicContact CG-CE1 4.17Å; M547-F633 HydrophobicContact SD-CD1 3.77Å; M547-F633 HydrophobicContact SD-CE1 3.51Å; M547-F633 VanDerWaalsContact SD-CE1 3.51Å
548	R	79.6	Confident	79.9	Confident	31 Å²	31	29.3 Å²	29.3	12%	0.117	14%	0.142	C	C	.	.	H	α-helix	trans	-65.3	-44.6	174.1	-175.3	-178.1	-175.9	139.7	5.4	112.7	R544 I546 E550 M551 K552 D577	R544-R548 VanDerWaalsContact O-CB 3.3Å; R544-R548 WeakPolarHBondContact O-CB 3.3Å; R544-R548 PolarHBondContact O-N 2.88Å; I546-R548 PolarHBondContact O-N 2.87Å; I546-R548 VanDerWaalsContact O-N 3.17Å; R548-E550 PolarHBondContact O-N 3.45Å; R548-M551 PolarHBondContact O-N 3.41Å; R548-K552 WeakPolarHBondContact O-CB 3.4Å; R548-K552 PolarHBondContact O-N 3.03Å; R548-D577 IonicContact CZ-OD2 3.26Å; R548-D577 VanDerWaalsContact CZ-OD2 3.24Å; R548-D577 IonicContact NH1-OD2 2.62Å; R548-D577 PolarHBondContact NH1-OD2 3.28Å; R548-D577 IonicContact NH2-OD2 3.2Å; R548-D577 PolarHBondContact NH2-OD2 3.37Å
549	A	80.3	Confident	78.3	Confident	10 Å²	10	29.8 Å²	29.8	8%	0.083	15%	0.146	C	C	.	.	H	α-helix	trans	-59	-38.1	178.3	0	0	0	0	0	111	P511 I545 I546 K552 L553	P511-A549 HydrophobicContact CB-CB 4.03Å; P511-A549 HydrophobicContact CG-CB 4.36Å; P511-A549 VanDerWaalsContact CG-O 3.28Å; P511-A549 WeakPolarHBondContact CG-O 3.25Å; I545-A549 WeakPolarHBondContact O-CB 3.4Å; I545-A549 PolarHBondContact O-N 3.21Å; I546-A549 WeakPolarHBondContact O-CA 3.49Å; I546-A549 WeakPolarHBondContact O-CB 3.45Å; I546-A549 PolarHBondContact O-N 3.02Å; A549-K552 PolarHBondContact O-N 3.27Å; A549-L553 WeakPolarHBondContact O-CB 3.38Å; A549-L553 PolarHBondContact O-N 2.82Å
550	E	82.8	Confident	76.8	Confident	32 Å²	32	29.5 Å²	29.5	15%	0.15	15%	0.146	C	C	.	.	H	α-helix	trans	-72.8	-43.9	178.3	-57.3	-150.6	119.1	0	0	113.5	K338 I546 M547 R548 K552 L553 K554 M616 L620	K338-E550 WeakPolarHBondContact CE-OE1 3.17Å; K338-E550 IonicContact NZ-OE1 3.69Å; K338-E550 PolarHBondContact NZ-OE1 2.83Å; K338-E550 IonicContact NZ-OE2 3.9Å; K338-E550 PolarHBondContact NZ-OE2 3.13Å; I546-E550 HydrophobicContact CG2-CG 4.27Å; I546-E550 VanDerWaalsContact O-CG 3.31Å; I546-E550 WeakPolarHBondContact O-CG 3.34Å; I546-E550 PolarHBondContact O-N 2.73Å; M547-E550 PolarHBondContact O-N 3.08Å; R548-E550 PolarHBondContact O-N 3.45Å; E550-K552 PolarHBondContact O-N 3.39Å; E550-L553 PolarHBondContact O-N 3.4Å; E550-L553 VanDerWaalsContact O-N 3.14Å; E550-K554 PolarHBondContact O-N 3.17Å; E550-M616 WeakPolarHBondContact OE2-CE 3.34Å; E550-L620 HydrophobicContact CB-CD1 3.62Å; E550-L620 HydrophobicContact CB-CD2 4.49Å; E550-L620 HydrophobicContact CG-CD1 4.35Å; E550-L620 VanDerWaalsContact OE2-CD1 3.27Å; E550-L620 WeakPolarHBondContact OE2-CD1 3.45Å
551	M	75.6	Confident	75	Confident	6 Å²	6	36.9 Å²	36.9	3%	0.03	18%	0.181	C	C	.	.	H	α-helix	trans	-57.1	-41.7	173.2	-73.4	-171.7	-71.4	0	0	110.9	M547 R548 K554 L555 L620 L628 L631 F633	M547-M551 HydrophobicContact CG-CE 4.24Å; M547-M551 WeakPolarHBondContact O-CG 3.28Å; M547-M551 PolarHBondContact O-N 3.46Å; R548-M551 PolarHBondContact O-N 3.41Å; M551-K554 PolarHBondContact O-N 2.95Å; M551-L555 VanDerWaalsContact O-CB 3.32Å; M551-L555 WeakPolarHBondContact O-CB 3.48Å; M551-L555 PolarHBondContact O-N 2.96Å; M551-L620 HydrophobicContact CG-CD2 3.9Å; M551-L628 HydrophobicContact CB-CD2 4.19Å; M551-L628 HydrophobicContact CG-CD2 4.06Å; M551-L631 HydrophobicContact CB-CD2 3.92Å; M551-L631 HydrophobicContact CE-CD2 4.28Å; M551-L631 HydrophobicContact SD-CD2 4.4Å; M551-F633 HydrophobicContact CE-CE1 3.99Å; M551-F633 HydrophobicContact CE-CZ 4.14Å
552	K	73.5	Confident	73.2	Confident	29 Å²	29	41 Å²	41	13%	0.126	20%	0.199	C	C	.	.	H	α-helix	trans	-63.6	-43.5	176.2	-175.3	176.7	-178.8	-176.8	0	112.1	P511 R548 A549 E550 L555 D556 N571	P511-K552 HydrophobicContact CG-CB 4.43Å; P511-K552 HydrophobicContact CG-CD 4.36Å; P511-K552 HydrophobicContact CG-CG 4.46Å; R548-K552 WeakPolarHBondContact O-CB 3.4Å; R548-K552 PolarHBondContact O-N 3.03Å; A549-K552 PolarHBondContact O-N 3.27Å; E550-K552 PolarHBondContact O-N 3.39Å; K552-L555 PolarHBondContact O-N 2.87Å; K552-D556 WeakPolarHBondContact O-CB 3.46Å; K552-D556 PolarHBondContact O-N 3.42Å; K552-N571 WeakPolarHBondContact CE-OD1 3.25Å; K552-N571 PolarHBondContact NZ-OD1 2.99Å
553	L	76.3	Confident	70.9	Confident	53 Å²	53	42.5 Å²	42.5	28%	0.277	22%	0.218	S	C	.	.	H	α-helix	trans	-65.3	-39.3	177.3	-175	145.8	0	0	0	111.8	P511 L515 A549 E550 N557	P511-L553 HydrophobicContact CB-CB 4.19Å; P511-L553 HydrophobicContact CB-CD1 3.99Å; P511-L553 HydrophobicContact CG-CB 4.17Å; L515-L553 HydrophobicContact CD1-CD1 3.5Å; L515-L553 VanDerWaalsContact CD1-CD1 3.5Å; L515-L553 HydrophobicContact CD2-CD1 4.3Å; L515-L553 HydrophobicContact CG-CD1 4.04Å; A549-L553 WeakPolarHBondContact O-CB 3.38Å; A549-L553 PolarHBondContact O-N 2.82Å; E550-L553 PolarHBondContact O-N 3.4Å; E550-L553 VanDerWaalsContact O-N 3.14Å; L553-N557 WeakPolarHBondContact O-CB 3.39Å; L553-N557 PolarHBondContact O-N 3.19Å; L553-N557 PolarHBondContact O-ND2 3.26Å
554	K	72.9	Confident	68.5	Low	48 Å²	48	46.6 Å²	46.6	21%	0.209	23%	0.232	C	C	.	.	H	α-helix	trans	-65.2	-44.4	174.6	-168.4	177.8	178.8	-159.1	0	111.2	E550 M551 N557 L558 L620 A621 L623 L628	E550-K554 PolarHBondContact O-N 3.17Å; M551-K554 PolarHBondContact O-N 2.95Å; K554-N557 PolarHBondContact O-N 3.18Å; K554-L558 HydrophobicContact CG-CD1 4.25Å; K554-L558 WeakPolarHBondContact O-CG 3.29Å; K554-L558 PolarHBondContact O-N 3.05Å; K554-L620 WeakPolarHBondContact CD-O 3.44Å; K554-L620 WeakPolarHBondContact CE-O 3.44Å; K554-L620 PolarHBondContact NZ-O 3.31Å; K554-A621 PolarHBondContact NZ-O 3.28Å; K554-L623 PolarHBondContact NZ-O 3.45Å; K554-L628 HydrophobicContact CB-CD2 4.5Å; K554-L628 HydrophobicContact CD-CD1 3.66Å; K554-L628 HydrophobicContact CD-CD2 4.15Å; K554-L628 HydrophobicContact CG-CD1 3.99Å
555	L	66.1	Low	66.5	Low	22 Å²	22	46.7 Å²	46.7	12%	0.115	24%	0.235	C	C	.	.	H	α-helix	trans	-62.7	-46.4	176.5	-172.5	142.4	0	0	0	111.2	M551 K552 N557 L558 V559 V566 L628 R629	M551-L555 VanDerWaalsContact O-CB 3.32Å; M551-L555 WeakPolarHBondContact O-CB 3.48Å; M551-L555 PolarHBondContact O-N 2.96Å; K552-L555 PolarHBondContact O-N 2.87Å; L555-N557 VanDerWaalsContact C-N 3.31Å; L555-N557 PolarHBondContact O-N 3.4Å; L555-L558 PolarHBondContact O-N 3.46Å; L555-V559 HydrophobicContact CD2-CG2 3.97Å; L555-V559 HydrophobicContact CG-CG2 4.3Å; L555-V559 VanDerWaalsContact O-CB 3.27Å; L555-V559 WeakPolarHBondContact O-CB 3.06Å; L555-V559 WeakPolarHBondContact O-CG2 3.03Å; L555-V559 PolarHBondContact O-N 3.22Å; L555-V566 HydrophobicContact CD2-CB 4.45Å; L555-V566 HydrophobicContact CD2-CG1 3.78Å; L555-V566 HydrophobicContact CD2-CG2 3.73Å; L555-L628 HydrophobicContact CD1-CB 4.41Å; L555-L628 WeakPolarHBondContact CD1-O 3.2Å; L555-R629 HydrophobicContact CD1-CG 4.09Å
556	D	64.9	Low	64.6	Low	29 Å²	29	47.5 Å²	47.5	16%	0.155	24%	0.241	C	C	.	.	H	α-helix	trans	-54.6	-47.8	173.9	-79.4	-3.9	0	0	0	110.2	Q512 K552 V559 I560	Q512-D556 PolarHBondContact NE2-OD2 3.3Å; K552-D556 WeakPolarHBondContact O-CB 3.46Å; K552-D556 PolarHBondContact O-N 3.42Å; D556-V559 PolarHBondContact O-N 2.95Å; D556-I560 WeakPolarHBondContact O-CB 3.17Å; D556-I560 WeakPolarHBondContact O-CD1 3.28Å; D556-I560 WeakPolarHBondContact O-CG1 3.43Å; D556-I560 PolarHBondContact O-N 3.41Å
557	N	66	Low	62.5	Low	83 Å²	83	54.4 Å²	54.4	44%	0.444	27%	0.272	S	S	.	.	H	α-helix	trans	-63.1	-43.3	179.4	-72.9	-19.7	0	0	0	113.4	L553 K554 L555 I560 Q561	L553-N557 WeakPolarHBondContact O-CB 3.39Å; L553-N557 PolarHBondContact O-N 3.19Å; L553-N557 PolarHBondContact O-ND2 3.26Å; K554-N557 PolarHBondContact O-N 3.18Å; L555-N557 VanDerWaalsContact C-N 3.31Å; L555-N557 PolarHBondContact O-N 3.4Å; N557-I560 PolarHBondContact O-N 3.29Å; N557-Q561 WeakPolarHBondContact O-CG 3.47Å; N557-Q561 PolarHBondContact O-N 2.75Å; N557-Q561 VanDerWaalsContact O-N 3.08Å
558	L	63.3	Low	60.8	Low	38 Å²	38	55.8 Å²	55.8	20%	0.199	28%	0.278	C	S	.	.	H	α-helix	trans	-63.6	-44.1	177.7	-73.6	168.6	0	0	0	111.7	K554 L555 I560 Q561 Q562 E625 L628	K554-L558 HydrophobicContact CG-CD1 4.25Å; K554-L558 WeakPolarHBondContact O-CG 3.29Å; K554-L558 PolarHBondContact O-N 3.05Å; L555-L558 PolarHBondContact O-N 3.46Å; L558-I560 VanDerWaalsContact C-N 3.33Å; L558-I560 PolarHBondContact O-N 2.94Å; L558-Q561 PolarHBondContact O-N 2.93Å; L558-Q562 WeakPolarHBondContact O-CB 3.5Å; L558-Q562 WeakPolarHBondContact O-CG 3.15Å; L558-Q562 PolarHBondContact O-N 3.19Å; L558-E625 HydrophobicContact CD1-CG 3.91Å; L558-L628 HydrophobicContact CD1-CD1 3.62Å
559	V	55.9	Low	59.1	Low	24 Å²	24	61.8 Å²	61.8	15%	0.145	31%	0.305	C	S	.	.	H	α-helix	trans	-62.3	-42.1	178.7	166.1	0	0	0	0	110.9	L555 D556 Q562 G563 R564 V566	L555-V559 HydrophobicContact CD2-CG2 3.97Å; L555-V559 HydrophobicContact CG-CG2 4.3Å; L555-V559 VanDerWaalsContact O-CB 3.27Å; L555-V559 WeakPolarHBondContact O-CB 3.06Å; L555-V559 WeakPolarHBondContact O-CG2 3.03Å; L555-V559 PolarHBondContact O-N 3.22Å; D556-V559 PolarHBondContact O-N 2.95Å; V559-Q562 PolarHBondContact O-N 2.72Å; V559-G563 WeakPolarHBondContact O-CA 3.47Å; V559-G563 PolarHBondContact O-N 3.38Å; V559-R564 WeakPolarHBondContact CG1-O 3.42Å; V559-R564 PolarHBondContact O-N 3.32Å; V559-V566 HydrophobicContact CB-CG2 3.88Å; V559-V566 HydrophobicContact CG1-CG2 3.47Å; V559-V566 VanDerWaalsContact CG1-CG2 3.47Å; V559-V566 HydrophobicContact CG2-CG2 3.18Å
560	I	54.9	Low	57.8	Low	53 Å²	53	63.3 Å²	63.3	27%	0.272	32%	0.316	S	S	.	.	H	α-helix	trans	-63.9	-43.3	176.5	-67	158.8	0	0	0	111.2	P267 R321 D556 N557 L558	P267-I560 HydrophobicContact CB-CD1 3.9Å; P267-I560 HydrophobicContact CB-CG1 4.28Å; P267-I560 HydrophobicContact CG-CD1 4.4Å; R321-I560 VanDerWaalsContact NH1-CG1 3.33Å; R321-I560 VanDerWaalsContact NH2-CD1 3.29Å; D556-I560 WeakPolarHBondContact O-CB 3.17Å; D556-I560 WeakPolarHBondContact O-CD1 3.28Å; D556-I560 WeakPolarHBondContact O-CG1 3.43Å; D556-I560 PolarHBondContact O-N 3.41Å; N557-I560 PolarHBondContact O-N 3.29Å; L558-I560 VanDerWaalsContact C-N 3.33Å; L558-I560 PolarHBondContact O-N 2.94Å
561	Q	54.3	Low	56.3	Low	155 Å²	155	64.5 Å²	64.5	72%	0.724	32%	0.323	S	S	*	.	H	α-helix	trans	-68.1	-35.3	179.9	-75.3	-179.4	-9.2	0	0	112.5	N557 L558	N557-Q561 WeakPolarHBondContact O-CG 3.47Å; N557-Q561 PolarHBondContact O-N 2.75Å; N557-Q561 VanDerWaalsContact O-N 3.08Å; L558-Q561 PolarHBondContact O-N 2.93Å
562	Q	50.1	Low	55.5	Low	85 Å²	85	70 Å²	70	40%	0.397	35%	0.349	S	S	.	.	H	α-helix	trans	-90.9	-12.5	-178.9	-66.5	-178.1	3.2	0	0	114.2	L558 V559 R564 E625	L558-Q562 WeakPolarHBondContact O-CB 3.5Å; L558-Q562 WeakPolarHBondContact O-CG 3.15Å; L558-Q562 PolarHBondContact O-N 3.19Å; V559-Q562 PolarHBondContact O-N 2.72Å; Q562-R564 HydrophobicContact CB-CB 4.33Å; Q562-R564 HydrophobicContact CB-CG 4.05Å; Q562-R564 PolarHBondContact O-N 3.01Å; Q562-E625 PolarHBondContact NE2-OE1 3.43Å; Q562-E625 PolarHBondContact OE1-OE1 2.95Å
563	G	43.6	Very low	55.1	Low	41 Å²	41	69.6 Å²	69.6	42%	0.423	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	24.9	-174.3	0	0	0	0	0	113.9	V559	V559-G563 WeakPolarHBondContact O-CA 3.47Å; V559-G563 PolarHBondContact O-N 3.38Å
564	R	39.7	Very low	54.8	Low	121 Å²	121	72.1 Å²	72.1	46%	0.457	36%	0.358	S	S	.	.			trans	-97	173	-174.6	-73.8	-173.4	177.7	-174	-5.6	112.9	N270 V559 Q562	N270-R564 PolarHBondContact ND2-O 3.44Å; V559-R564 WeakPolarHBondContact CG1-O 3.42Å; V559-R564 PolarHBondContact O-N 3.32Å; Q562-R564 HydrophobicContact CB-CB 4.33Å; Q562-R564 HydrophobicContact CB-CG 4.05Å; Q562-R564 PolarHBondContact O-N 3.01Å
565	L	41.8	Very low	54.7	Low	40 Å²	40	74.2 Å²	74.2	21%	0.209	37%	0.367	C	S	.	.			trans	-85.4	147.5	-170.7	-81.9	145.3	0	0	0	114.6	N270 E305 V308	N270-L565 HydrophobicContact CB-CD2 4.03Å; N270-L565 VanDerWaalsContact ND2-C 3.34Å; N270-L565 VanDerWaalsContact ND2-CA 3.28Å; N270-L565 WeakPolarHBondContact ND2-CA 3.44Å; E305-L565 HydrophobicContact CB-CD1 3.54Å; E305-L565 HydrophobicContact CG-CD1 3.31Å; E305-L565 WeakPolarHBondContact O-CD1 3.41Å; V308-L565 HydrophobicContact CB-CD1 4.17Å; V308-L565 HydrophobicContact CB-CD2 3.44Å; V308-L565 VanDerWaalsContact CB-CD2 3.44Å; V308-L565 HydrophobicContact CB-CG 4.12Å; V308-L565 HydrophobicContact CG1-CD1 4.47Å; V308-L565 HydrophobicContact CG1-CD2 3.21Å; V308-L565 HydrophobicContact CG1-CG 3.92Å; V308-L565 HydrophobicContact CG2-CD2 3.74Å
566	V	43.6	Very low	54.9	Low	32 Å²	32	75.6 Å²	75.6	19%	0.194	39%	0.386	C	S	.	.			trans	-141.9	123.4	171.2	-173.5	0	0	0	0	108.8	N270 L555 V559	N270-V566 WeakPolarHBondContact CB-O 3.35Å; N270-V566 PolarHBondContact ND2-N 3.02Å; L555-V566 HydrophobicContact CD2-CB 4.45Å; L555-V566 HydrophobicContact CD2-CG1 3.78Å; L555-V566 HydrophobicContact CD2-CG2 3.73Å; V559-V566 HydrophobicContact CB-CG2 3.88Å; V559-V566 HydrophobicContact CG1-CG2 3.47Å; V559-V566 VanDerWaalsContact CG1-CG2 3.47Å; V559-V566 HydrophobicContact CG2-CG2 3.18Å
567	E	45	Very low	55.4	Low	150 Å²	150	76.4 Å²	76.4	70%	0.701	39%	0.391	S	S	*	.			trans	-63.9	136	175.8	-69.3	-173.5	160	0	0	112.3	K569 S570	E567-K569 PolarHBondContact O-N 2.97Å; E567-K569 VanDerWaalsContact O-N 3.12Å; E567-S570 PolarHBondContact O-N 3.28Å; E567-S570 PolarHBondContact O-OG 2.9Å
568	Q	45.8	Very low	56	Low	90 Å²	90	72.4 Å²	72.4	42%	0.421	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-57.5	-25.6	176.4	-79.7	-154.5	-40.5	0	0	114.4	N271 S570 N571	N271-Q568 HydrophobicContact CB-CG 3.8Å; N271-Q568 PolarHBondContact ND2-NE2 2.88Å; N271-Q568 PolarHBondContact ND2-OE1 3.02Å; Q568-S570 PolarHBondContact O-N 3.33Å; Q568-S570 VanDerWaalsContact O-N 3.11Å; Q568-N571 WeakPolarHBondContact O-CB 3.28Å; Q568-N571 PolarHBondContact O-N 2.88Å
569	K	45.6	Very low	56.7	Low	156 Å²	156	72.2 Å²	72.2	68%	0.678	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-62	-19.7	-177.6	-74.2	-179.2	-177.6	166.4	0	112.9	E567 N571	E567-K569 PolarHBondContact O-N 2.97Å; E567-K569 VanDerWaalsContact O-N 3.12Å; K569-N571 VanDerWaalsContact C-N 3.25Å; K569-N571 PolarHBondContact O-N 2.95Å
570	S	51.6	Low	57.8	Low	43 Å²	43	73.7 Å²	73.7	30%	0.301	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-64.6	-24.2	174.1	60.7	0	0	0	0	114	E567 Q568	E567-S570 PolarHBondContact O-N 3.28Å; E567-S570 PolarHBondContact O-OG 2.9Å; Q568-S570 PolarHBondContact O-N 3.33Å; Q568-S570 VanDerWaalsContact O-N 3.11Å
571	N	52.2	Low	59.1	Low	56 Å²	56	71.4 Å²	71.4	30%	0.299	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-76.4	-25	-175.1	-81.4	-30.3	0	0	0	114.3	Q269 K552 Q568 K569	Q269-N571 PolarHBondContact NE2-ND2 2.91Å; Q269-N571 VanDerWaalsContact NE2-ND2 3.19Å; Q269-N571 PolarHBondContact OE1-ND2 3.46Å; Q269-N571 VanDerWaalsContact OE1-ND2 3.1Å; K552-N571 WeakPolarHBondContact CE-OD1 3.25Å; K552-N571 PolarHBondContact NZ-OD1 2.99Å; Q568-N571 WeakPolarHBondContact O-CB 3.28Å; Q568-N571 PolarHBondContact O-N 2.88Å; K569-N571 VanDerWaalsContact C-N 3.25Å; K569-N571 PolarHBondContact O-N 2.95Å
572	Q	59.2	Low	60.4	Low	123 Å²	123	64 Å²	64	58%	0.575	33%	0.329	S	S	*	.	S	Bend	trans	-93.8	133	179.9	-70.7	-165.9	21	0	0	110.7	Q574	Q572-Q574 PolarHBondContact O-N 2.92Å
573	L	65.3	Low	61.8	Low	19 Å²	19	62.9 Å²	62.9	10%	0.099	32%	0.321	C	S	.	.			trans	-57.5	108.3	169.5	-71	170.1	0	0	0	109.1	R371 L378 W509 V578 M581	R371-L573 PolarHBondContact NE-O 2.86Å; R371-L573 PolarHBondContact NH2-O 2.97Å; L378-L573 HydrophobicContact CD2-CD1 4.49Å; W509-L573 HydrophobicContact CD2-CD1 4.47Å; W509-L573 HydrophobicContact CE3-CD1 3.66Å; W509-L573 HydrophobicContact CZ3-CD1 4.27Å; L573-V578 HydrophobicContact CB-CG2 3.8Å; L573-M581 HydrophobicContact CD1-CE 4.2Å; L573-M581 HydrophobicContact CD2-CE 3.44Å; L573-M581 VanDerWaalsContact CD2-CE 3.44Å; L573-M581 HydrophobicContact CD2-SD 4.27Å; L573-M581 HydrophobicContact CG-CE 4.34Å
574	Q	68.7	Low	63.5	Low	106 Å²	106	62.9 Å²	62.9	50%	0.495	31%	0.31	S	S	.	.			trans	-75.3	159.7	177	-57.2	-167.5	16.1	0	0	109.6	Q572 G576 D577 V578	Q572-Q574 PolarHBondContact O-N 2.92Å; Q574-G576 VanDerWaalsContact C-N 3.31Å; Q574-G576 PolarHBondContact O-N 2.86Å; Q574-D577 WeakPolarHBondContact CB-OD2 2.94Å; Q574-D577 PolarHBondContact N-OD2 3.35Å; Q574-D577 VanDerWaalsContact N-OD2 3.07Å; Q574-D577 PolarHBondContact O-N 2.69Å; Q574-V578 WeakPolarHBondContact O-CG2 3.43Å; Q574-V578 PolarHBondContact O-N 3.06Å
575	K	71.2	Confident	65.1	Low	92 Å²	92	57.7 Å²	57.7	40%	0.4	30%	0.295	S	S	.	.	H	α-helix	trans	-56.3	-45.3	-176.9	-68.2	-175.6	179.2	-169.7	0	112.2	V369 R371 D577 V578 L579	V369-K575 PolarHBondContact O-NZ 2.91Å; R371-K575 HydrophobicContact CB-CD 4.42Å; R371-K575 HydrophobicContact CB-CG 3.96Å; R371-K575 HydrophobicContact CG-CG 4.1Å; K575-D577 VanDerWaalsContact C-N 3.35Å; K575-D577 PolarHBondContact O-N 3.19Å; K575-V578 PolarHBondContact O-N 3.35Å; K575-L579 PolarHBondContact O-N 3.12Å; K575-L579 VanDerWaalsContact O-N 3.09Å
576	G	70.8	Confident	66.7	Low	51 Å²	51	55.8 Å²	55.8	53%	0.526	29%	0.285	S	S	.	.	H	α-helix	trans	-59.8	-45.1	179.1	0	0	0	0	0	111.8	Q574 V578 L579 D580	Q574-G576 VanDerWaalsContact C-N 3.31Å; Q574-G576 PolarHBondContact O-N 2.86Å; G576-V578 PolarHBondContact O-N 3.11Å; G576-L579 WeakPolarHBondContact O-CB 3.47Å; G576-L579 PolarHBondContact O-N 2.82Å; G576-D580 PolarHBondContact O-N 3.42Å
577	D	75	Confident	68.1	Low	46 Å²	46	58.2 Å²	58.2	25%	0.246	30%	0.296	C	S	.	.	H	α-helix	trans	-64.1	-39.6	178.6	-37.4	-24.6	0	0	0	112.6	R548 Q574 K575 L579 D580 M581	R548-D577 IonicContact CZ-OD2 3.26Å; R548-D577 VanDerWaalsContact CZ-OD2 3.24Å; R548-D577 IonicContact NH1-OD2 2.62Å; R548-D577 PolarHBondContact NH1-OD2 3.28Å; R548-D577 IonicContact NH2-OD2 3.2Å; R548-D577 PolarHBondContact NH2-OD2 3.37Å; Q574-D577 WeakPolarHBondContact CB-OD2 2.94Å; Q574-D577 PolarHBondContact N-OD2 3.35Å; Q574-D577 VanDerWaalsContact N-OD2 3.07Å; Q574-D577 PolarHBondContact O-N 2.69Å; K575-D577 VanDerWaalsContact C-N 3.35Å; K575-D577 PolarHBondContact O-N 3.19Å; D577-L579 VanDerWaalsContact C-N 3.28Å; D577-L579 PolarHBondContact O-N 3.3Å; D577-D580 PolarHBondContact O-N 2.96Å; D577-M581 WeakPolarHBondContact O-CB 3.38Å; D577-M581 VanDerWaalsContact O-CG 3.25Å; D577-M581 WeakPolarHBondContact O-CG 3.18Å; D577-M581 PolarHBondContact O-N 3.34Å
578	V	78.5	Confident	69.6	Low	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64	-39.5	177.2	-178.8	0	0	0	0	110.7	L374 L375 L378 L573 Q574 K575 G576 M581 I582	L374-V578 HydrophobicContact CB-CB 4.4Å; L374-V578 HydrophobicContact CB-CG1 3.7Å; L375-V578 HydrophobicContact CD2-CG2 4.08Å; L378-V578 HydrophobicContact CB-CG1 4.3Å; L378-V578 HydrophobicContact CD2-CG1 4.16Å; L573-V578 HydrophobicContact CB-CG2 3.8Å; Q574-V578 WeakPolarHBondContact O-CG2 3.43Å; Q574-V578 PolarHBondContact O-N 3.06Å; K575-V578 PolarHBondContact O-N 3.35Å; G576-V578 PolarHBondContact O-N 3.11Å; V578-M581 HydrophobicContact CB-CE 4.29Å; V578-M581 HydrophobicContact CG2-CE 4.01Å; V578-M581 PolarHBondContact O-N 2.77Å; V578-I582 HydrophobicContact CG1-CD1 3.91Å; V578-I582 WeakPolarHBondContact O-CD1 3.35Å; V578-I582 VanDerWaalsContact O-CG1 3.27Å; V578-I582 WeakPolarHBondContact O-CG1 3.45Å; V578-I582 PolarHBondContact O-N 3.27Å; V578-I582 VanDerWaalsContact O-N 3.08Å
579	L	78.6	Confident	71.1	Confident	34 Å²	34	51.2 Å²	51.2	18%	0.178	26%	0.261	C	S	.	.	H	α-helix	trans	-66	-44	176.8	-172.4	65	0	0	0	111.8	L374 K575 G576 D577 M581 I582 R583	L374-L579 HydrophobicContact CD2-CD1 3.99Å; K575-L579 PolarHBondContact O-N 3.12Å; K575-L579 VanDerWaalsContact O-N 3.09Å; G576-L579 WeakPolarHBondContact O-CB 3.47Å; G576-L579 PolarHBondContact O-N 2.82Å; D577-L579 VanDerWaalsContact C-N 3.28Å; D577-L579 PolarHBondContact O-N 3.3Å; L579-M581 VanDerWaalsContact C-N 3.34Å; L579-M581 PolarHBondContact O-N 3.14Å; L579-I582 PolarHBondContact O-N 3.07Å; L579-R583 WeakPolarHBondContact O-CG 3.44Å; L579-R583 PolarHBondContact O-N 3.42Å
580	D	79.2	Confident	72.5	Confident	55 Å²	55	45.1 Å²	45.1	29%	0.294	23%	0.234	S	C	.	.	H	α-helix	trans	-60	-44.2	175.6	-176.5	54.8	0	0	0	111.7	R544 G576 D577 I582 R583 H584 F633	R544-D580 IonicContact CZ-OD2 3.98Å; R544-D580 IonicContact NH1-OD1 3.26Å; R544-D580 IonicContact NH1-OD2 2.65Å; R544-D580 PolarHBondContact NH1-OD2 3.44Å; G576-D580 PolarHBondContact O-N 3.42Å; D577-D580 PolarHBondContact O-N 2.96Å; D580-I582 VanDerWaalsContact C-N 3.34Å; D580-I582 PolarHBondContact O-N 2.96Å; D580-R583 PolarHBondContact O-N 3.09Å; D580-H584 PolarHBondContact O-N 2.95Å; D580-F633 WeakPolarHBondContact OD2-CD2 3.46Å; D580-F633 WeakPolarHBondContact OD2-CE2 3.41Å
581	M	80.8	Confident	73.6	Confident	5 Å²	5	53.2 Å²	53.2	3%	0.025	26%	0.258	C	S	.	.	H	α-helix	trans	-57.7	-45.1	174.6	-72.2	-171.7	-67.8	0	0	112.2	L378 V541 R544 I545 L573 D577 V578 L579 H584	L378-M581 HydrophobicContact CD2-CE 3.91Å; V541-M581 VanDerWaalsContact CG1-O 3.31Å; V541-M581 WeakPolarHBondContact CG1-O 2.74Å; R544-M581 HydrophobicContact CB-CB 4.29Å; R544-M581 HydrophobicContact CB-CG 3.68Å; R544-M581 HydrophobicContact CG-CG 4.5Å; I545-M581 HydrophobicContact CG1-SD 3.95Å; L573-M581 HydrophobicContact CD1-CE 4.2Å; L573-M581 HydrophobicContact CD2-CE 3.44Å; L573-M581 VanDerWaalsContact CD2-CE 3.44Å; L573-M581 HydrophobicContact CD2-SD 4.27Å; L573-M581 HydrophobicContact CG-CE 4.34Å; D577-M581 WeakPolarHBondContact O-CB 3.38Å; D577-M581 VanDerWaalsContact O-CG 3.25Å; D577-M581 WeakPolarHBondContact O-CG 3.18Å; D577-M581 PolarHBondContact O-N 3.34Å; V578-M581 HydrophobicContact CB-CE 4.29Å; V578-M581 HydrophobicContact CG2-CE 4.01Å; V578-M581 PolarHBondContact O-N 2.77Å; L579-M581 VanDerWaalsContact C-N 3.34Å; L579-M581 PolarHBondContact O-N 3.14Å; M581-H584 WeakPolarHBondContact O-CB 3.43Å; M581-H584 PolarHBondContact O-N 3.09Å
582	I	81.4	Confident	74.4	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-68	-37.5	-179.3	-68.8	164.9	0	0	0	111.7	L355 V362 L374 I377 L378 L381 V578 L579 D580 H584	L355-I582 HydrophobicContact CD2-CG2 3.88Å; V362-I582 HydrophobicContact CG1-CG2 3.99Å; V362-I582 HydrophobicContact CG2-CG2 3.81Å; L374-I582 HydrophobicContact CB-CD1 4.42Å; L374-I582 HydrophobicContact CD2-CD1 3.94Å; I377-I582 HydrophobicContact CB-CD1 4.06Å; I377-I582 HydrophobicContact CG2-CD1 3.91Å; I377-I582 HydrophobicContact CG2-CG1 4.29Å; I377-I582 HydrophobicContact CG2-CG2 4.13Å; L378-I582 HydrophobicContact CB-CD1 4.45Å; L378-I582 HydrophobicContact CB-CG1 4.45Å; L381-I582 HydrophobicContact CD1-CB 4.47Å; L381-I582 HydrophobicContact CD1-CG1 4.19Å; L381-I582 HydrophobicContact CD1-CG2 4.08Å; V578-I582 HydrophobicContact CG1-CD1 3.91Å; V578-I582 WeakPolarHBondContact O-CD1 3.35Å; V578-I582 VanDerWaalsContact O-CG1 3.27Å; V578-I582 WeakPolarHBondContact O-CG1 3.45Å; V578-I582 PolarHBondContact O-N 3.27Å; V578-I582 VanDerWaalsContact O-N 3.08Å; L579-I582 PolarHBondContact O-N 3.07Å; D580-I582 VanDerWaalsContact C-N 3.34Å; D580-I582 PolarHBondContact O-N 2.96Å; I582-H584 VanDerWaalsContact C-N 3.28Å; I582-H584 PolarHBondContact O-N 3.07Å
583	R	80.3	Confident	74.6	Confident	60 Å²	60	53.9 Å²	53.9	23%	0.226	26%	0.261	C	S	.	.	H	α-helix	trans	-71	-24.4	178.3	-73.1	178.3	177.9	-179.3	-1	112.4	V362 L579 D580 G585 A586 I667	V362-R583 HydrophobicContact CG1-CG 3.73Å; V362-R583 VanDerWaalsContact O-CZ 3.27Å; V362-R583 PolarHBondContact O-NE 2.77Å; V362-R583 PolarHBondContact O-NH2 3.42Å; L579-R583 WeakPolarHBondContact O-CG 3.44Å; L579-R583 PolarHBondContact O-N 3.42Å; D580-R583 PolarHBondContact O-N 3.09Å; R583-G585 PolarHBondContact O-N 2.86Å; R583-A586 VanDerWaalsContact O-CB 3.29Å; R583-A586 WeakPolarHBondContact O-CB 3.22Å; R583-A586 PolarHBondContact O-N 2.85Å; R583-A586 VanDerWaalsContact O-N 3.15Å; R583-I667 HydrophobicContact CG-CD1 4.3Å
584	H	78.3	Confident	74.6	Confident	42 Å²	42	59 Å²	59	19%	0.194	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	127.6	179.4	-171.7	-139.8	0	0	0	112.2	T540 E543 R544 D580 M581 I582 A586	T540-H584 PolarHBondContact O-ND1 3.06Å; E543-H584 IonicContact OE2-CE1 3.73Å; E543-H584 PolarHBondContact OE2-CE1 2.86Å; E543-H584 IonicContact OE2-ND1 2.89Å; R544-H584 HydrophobicContact CG-CB 3.56Å; R544-H584 VanDerWaalsContact CG-ND1 3.29Å; R544-H584 WeakPolarHBondContact CG-ND1 3.45Å; R544-H584 PolarHBondContact NE-CD2 3.46Å; R544-H584 VanDerWaalsContact NE-CG 3.29Å; R544-H584 PolarHBondContact NE-ND1 3.27Å; R544-H584 PolarHBondContact NH2-CD2 2.93Å; D580-H584 PolarHBondContact O-N 2.95Å; M581-H584 WeakPolarHBondContact O-CB 3.43Å; M581-H584 PolarHBondContact O-N 3.09Å; I582-H584 VanDerWaalsContact C-N 3.28Å; I582-H584 PolarHBondContact O-N 3.07Å; H584-A586 PolarHBondContact O-N 3.39Å
585	G	73.9	Confident	74.3	Confident	12 Å²	12	56.9 Å²	56.9	12%	0.124	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	-8.4	-179.5	0	0	0	0	0	114.8	H539 R583 N587 Y588 I589	H539-G585 WeakPolarHBondContact O-CA 3.48Å; R583-G585 PolarHBondContact O-N 2.86Å; G585-N587 VanDerWaalsContact C-N 3.34Å; G585-N587 PolarHBondContact O-N 3.48Å; G585-Y588 WeakPolarHBondContact O-CA 3.44Å; G585-Y588 WeakPolarHBondContact O-CB 3.24Å; G585-Y588 PolarHBondContact O-N 3.27Å; G585-I589 WeakPolarHBondContact O-CG1 3.47Å; G585-I589 PolarHBondContact O-N 2.91Å
586	A	75.9	Confident	74	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-56	-49	179.1	0	0	0	0	0	111.3	L355 R583 H584 Y588 I589 F590 I667	L355-A586 HydrophobicContact CD1-CB 3.75Å; R583-A586 VanDerWaalsContact O-CB 3.29Å; R583-A586 WeakPolarHBondContact O-CB 3.22Å; R583-A586 PolarHBondContact O-N 2.85Å; R583-A586 VanDerWaalsContact O-N 3.15Å; H584-A586 PolarHBondContact O-N 3.39Å; A586-Y588 VanDerWaalsContact C-N 3.27Å; A586-Y588 PolarHBondContact O-N 2.76Å; A586-I589 PolarHBondContact O-N 3.31Å; A586-F590 HydrophobicContact CB-CD2 4.41Å; A586-F590 HydrophobicContact CB-CE2 4.17Å; A586-F590 WeakPolarHBondContact O-CD2 3.24Å; A586-F590 PolarHBondContact O-N 2.82Å; A586-I667 HydrophobicContact CB-CD1 3.64Å; A586-I667 HydrophobicContact CB-CG1 4.4Å
587	N	72.7	Confident	73.7	Confident	82 Å²	82	52.5 Å²	52.5	44%	0.439	25%	0.253	S	S	.	.	H	α-helix	trans	-59.2	-36.2	176.5	-73.3	-20.1	0	0	0	113.1	G585 R591	G585-N587 VanDerWaalsContact C-N 3.34Å; G585-N587 PolarHBondContact O-N 3.48Å; N587-R591 VanDerWaalsContact O-CG 3.28Å; N587-R591 WeakPolarHBondContact O-CG 3.44Å; N587-R591 PolarHBondContact O-N 3.47Å
588	Y	76.3	Confident	73.3	Confident	91 Å²	91	56.8 Å²	56.8	36%	0.357	27%	0.269	S	S	.	.	H	α-helix	trans	-69.1	-47.5	177	178.3	-90.7	0	0	0	111.1	H539 G585 A586 F590 R591 S592 D596	H539-Y588 HydrophobicContact CB-CD1 3.64Å; H539-Y588 HydrophobicContact CB-CE1 4.14Å; H539-Y588 HydrophobicContact CB-CG 4.23Å; H539-Y588 AromaticContact CD2-CD1 3.55Å; H539-Y588 AromaticContact CD2-CE1 3.2Å; H539-Y588 WeakPolarHBondContact CD2-CE1 3.28Å; H539-Y588 AromaticContact CD2-CZ 3.5Å; H539-Y588 VanDerWaalsContact CD2-CZ 3.5Å; H539-Y588 AromaticContact CG-CD1 3.58Å; H539-Y588 AromaticContact CG-CE1 3.76Å; H539-Y588 AromaticContact CG-CG 3.98Å; H539-Y588 AromaticContact NE2-CE1 3.87Å; H539-Y588 AromaticContact NE2-CE2 3.93Å; H539-Y588 AromaticContact NE2-CZ 3.64Å; G585-Y588 WeakPolarHBondContact O-CA 3.44Å; G585-Y588 WeakPolarHBondContact O-CB 3.24Å; G585-Y588 PolarHBondContact O-N 3.27Å; A586-Y588 VanDerWaalsContact C-N 3.27Å; A586-Y588 PolarHBondContact O-N 2.76Å; Y588-F590 VanDerWaalsContact C-N 3.28Å; Y588-F590 PolarHBondContact O-N 3.48Å; Y588-R591 PolarHBondContact O-N 3.14Å; Y588-R591 VanDerWaalsContact O-N 3.13Å; Y588-S592 PolarHBondContact O-N 3.32Å; Y588-D596 WeakPolarHBondContact CE1-OD2 3.49Å; Y588-D596 PolarHBondContact OH-OD1 2.92Å
589	I	77.2	Confident	72.9	Confident	3 Å²	3	63.2 Å²	63.2	2%	0.015	30%	0.304	C	S	.	.	H	α-helix	trans	-61	-36.2	178	-67.6	172.1	0	0	0	111.4	L343 R348 Y351 T352 H539 G585 A586	L343-I589 HydrophobicContact CD1-CD1 3.99Å; L343-I589 HydrophobicContact CD1-CG1 4.35Å; R348-I589 HydrophobicContact CG-CG2 4.41Å; Y351-I589 HydrophobicContact CD1-CD1 3.37Å; Y351-I589 HydrophobicContact CD1-CG2 4.29Å; Y351-I589 HydrophobicContact CE1-CD1 3.28Å; Y351-I589 HydrophobicContact CG-CD1 4.09Å; T352-I589 VanDerWaalsContact OG1-CG2 3.27Å; T352-I589 WeakPolarHBondContact OG1-CG2 3.35Å; H539-I589 WeakPolarHBondContact O-CD1 3.28Å; G585-I589 WeakPolarHBondContact O-CG1 3.47Å; G585-I589 PolarHBondContact O-N 2.91Å; A586-I589 PolarHBondContact O-N 3.31Å
590	F	74.7	Confident	72.9	Confident	27 Å²	27	64.1 Å²	64.1	12%	0.118	31%	0.307	C	S	.	.	H	α-helix	trans	-72.4	-29.3	176	-75.2	-61.6	0	0	0	114.1	T352 L355 M356 A586 Y588 I667 P670	T352-F590 HydrophobicContact CG2-CD1 4.06Å; T352-F590 HydrophobicContact CG2-CE1 3.8Å; L355-F590 HydrophobicContact CB-CE2 4.22Å; L355-F590 HydrophobicContact CB-CZ 3.72Å; L355-F590 HydrophobicContact CD1-CE2 3.91Å; L355-F590 HydrophobicContact CD1-CZ 4.11Å; M356-F590 HydrophobicContact CE-CD1 4.16Å; M356-F590 HydrophobicContact CE-CE1 3.8Å; M356-F590 HydrophobicContact CG-CE1 3.77Å; M356-F590 HydrophobicContact CG-CZ 4.26Å; A586-F590 HydrophobicContact CB-CD2 4.41Å; A586-F590 HydrophobicContact CB-CE2 4.17Å; A586-F590 WeakPolarHBondContact O-CD2 3.24Å; A586-F590 PolarHBondContact O-N 2.82Å; Y588-F590 VanDerWaalsContact C-N 3.28Å; Y588-F590 PolarHBondContact O-N 3.48Å; F590-I667 HydrophobicContact CD2-CG2 3.35Å; F590-I667 HydrophobicContact CE2-CG2 3.22Å; F590-I667 HydrophobicContact CG-CG2 4.44Å; F590-I667 HydrophobicContact CZ-CG2 4.17Å; F590-P670 HydrophobicContact CD1-CG 4.12Å
591	R	75.2	Confident	73.1	Confident	213 Å²	213	65.9 Å²	65.9	80%	0.804	32%	0.316	S	S	*	.	H	α-helix	trans	-85.4	-37.1	-177.5	-74.4	176.8	-178.4	-172.3	1.5	113.1	N587 Y588	N587-R591 VanDerWaalsContact O-CG 3.28Å; N587-R591 WeakPolarHBondContact O-CG 3.44Å; N587-R591 PolarHBondContact O-N 3.47Å; Y588-R591 PolarHBondContact O-N 3.14Å; Y588-R591 VanDerWaalsContact O-N 3.13Å
592	S	69	Low	73.4	Confident	35 Å²	35	66.3 Å²	66.3	25%	0.245	32%	0.319	C	S	.	.			trans	-90.8	122	-175.1	177.5	0	0	0	0	111.4	R348 Y588	R348-S592 PolarHBondContact NH1-O 2.89Å; R348-S592 PolarHBondContact NH1-OG 2.71Å; R348-S592 VanDerWaalsContact NH1-OG 3.1Å; Y588-S592 PolarHBondContact O-N 3.32Å
593	K	63.9	Low	73.8	Confident	158 Å²	158	70.5 Å²	70.5	69%	0.687	34%	0.341	S	S	*	.			trans	-89.7	-17.2	-178	-71.3	-172.5	180	-179.5	0	114.1	E673	K593-E673 IonicContact NZ-OE1 3.63Å; K593-E673 PolarHBondContact NZ-OE1 3.18Å; K593-E673 IonicContact NZ-OE2 2.81Å; K593-E673 PolarHBondContact NZ-OE2 3.38Å
594	D	64	Low	74.3	Confident	126 Å²	126	72.2 Å²	72.2	67%	0.674	35%	0.354	S	S	*	.	S	Bend	trans	-101.6	157.1	-173.4	-67.4	-39.7	0	0	0	113	R348 D596	R348-D594 PolarHBondContact NE-O 3.16Å; R348-D594 PolarHBondContact NH1-O 3.28Å; R348-D594 PolarHBondContact NH2-O 3.49Å; D594-D596 PolarHBondContact O-N 3.35Å
595	S	63.9	Low	74.7	Confident	62 Å²	62	70.7 Å²	70.7	43%	0.434	35%	0.347	S	S	.	.			trans	-59.7	130.8	174.2	51.7	0	0	0	0	111	F597	S595-F597 PolarHBondContact O-N 3.12Å
596	D	63.8	Low	75.5	Confident	26 Å²	26	70.7 Å²	70.7	14%	0.139	34%	0.344	C	S	.	.			trans	-75.8	-10.6	176.2	-65.3	-24.3	0	0	0	112	L343 R348 Y588 D594 K598	L343-D596 PolarHBondContact O-N 2.72Å; R348-D596 IonicContact CZ-OD1 3.35Å; R348-D596 IonicContact CZ-OD2 2.9Å; R348-D596 IonicContact NH1-OD1 3.92Å; R348-D596 IonicContact NH1-OD2 3.66Å; R348-D596 VanDerWaalsContact NH2-N 3.13Å; R348-D596 IonicContact NH2-OD1 2.7Å; R348-D596 PolarHBondContact NH2-OD1 3.24Å; R348-D596 IonicContact NH2-OD2 3.62Å; R348-D596 PolarHBondContact NH2-OD2 3.04Å; Y588-D596 WeakPolarHBondContact CE1-OD2 3.49Å; Y588-D596 PolarHBondContact OH-OD1 2.92Å; D594-D596 PolarHBondContact O-N 3.35Å; D596-K598 PolarHBondContact O-N 3.44Å
597	F	64.1	Low	76.1	Confident	25 Å²	25	73.3 Å²	73.3	11%	0.11	37%	0.366	C	S	.	.			trans	-70.1	113.4	177	-170.1	-86.1	0	0	0	110.3	I341 M414 S595 D599	I341-F597 HydrophobicContact CD1-CD2 3.55Å; I341-F597 HydrophobicContact CD1-CE2 3.55Å; I341-F597 HydrophobicContact CG1-CD2 3.89Å; I341-F597 HydrophobicContact CG1-CE2 4Å; M414-F597 HydrophobicContact CB-CD2 4.4Å; M414-F597 HydrophobicContact CB-CE2 3.52Å; M414-F597 HydrophobicContact CB-CZ 3.63Å; M414-F597 HydrophobicContact CE-CD1 3.51Å; M414-F597 HydrophobicContact CE-CD2 4.36Å; M414-F597 HydrophobicContact CE-CE1 3.19Å; M414-F597 HydrophobicContact CE-CE2 4.09Å; M414-F597 HydrophobicContact CE-CG 4.1Å; M414-F597 HydrophobicContact CE-CZ 3.52Å; M414-F597 HydrophobicContact CG-CE2 4.24Å; M414-F597 HydrophobicContact CG-CZ 4.3Å; M414-F597 HydrophobicContact SD-CD1 3.94Å; M414-F597 HydrophobicContact SD-CD2 3.79Å; M414-F597 HydrophobicContact SD-CE1 3.93Å; M414-F597 HydrophobicContact SD-CE2 3.75Å; M414-F597 HydrophobicContact SD-CG 3.88Å; M414-F597 HydrophobicContact SD-CZ 3.83Å; S595-F597 PolarHBondContact O-N 3.12Å; F597-D599 HydrophobicContact CE1-CB 4.28Å
598	K	67.1	Low	76.9	Confident	137 Å²	137	74.6 Å²	74.6	60%	0.596	36%	0.364	S	S	*	.			trans	-94.1	130	166.4	-61.9	179.3	178.4	-177.7	0	108	D596 E600	D596-K598 PolarHBondContact O-N 3.44Å; K598-E600 HydrophobicContact CB-CG 3.75Å; K598-E600 WeakPolarHBondContact CD-OE1 3.38Å; K598-E600 PolarHBondContact O-N 2.95Å
599	D	70.4	Confident	77.5	Confident	134 Å²	134	70.3 Å²	70.3	72%	0.717	35%	0.348	S	S	*	.			trans	-74.3	67.2	176.1	-165.4	22.1	0	0	0	110.6	K418 F597	K418-D599 WeakPolarHBondContact CE-OD1 3.4Å; K418-D599 IonicContact NZ-OD1 2.73Å; K418-D599 PolarHBondContact NZ-OD1 3.09Å; F597-D599 HydrophobicContact CE1-CB 4.28Å
600	E	78.1	Confident	78.1	Confident	53 Å²	53	75.5 Å²	75.5	25%	0.248	37%	0.372	C	S	.	.			trans	-90.4	158.1	-178.6	-69.3	174.8	-178.2	0	0	111.1	K418 K598 I605	K418-E600 PolarHBondContact NZ-O 2.91Å; K598-E600 HydrophobicContact CB-CG 3.75Å; K598-E600 WeakPolarHBondContact CD-OE1 3.38Å; K598-E600 PolarHBondContact O-N 2.95Å; E600-I605 HydrophobicContact CB-CD1 4.3Å; E600-I605 HydrophobicContact CB-CG1 4.09Å
601	D	84.4	Confident	78.9	Confident	92 Å²	92	80 Å²	80	49%	0.492	39%	0.394	S	S	.	.			trans	-61	141.1	171.6	-164.5	-31.2	0	0	0	110.3	D603 I604 I605	D601-D603 PolarHBondContact O-N 2.87Å; D601-D603 PolarHBondContact OD1-N 3.42Å; D601-D603 VanDerWaalsContact OD1-N 3.17Å; D601-I604 HydrophobicContact CB-CD1 4.05Å; D601-I604 HydrophobicContact CB-CG1 4.21Å; D601-I604 PolarHBondContact O-N 3.25Å; D601-I604 VanDerWaalsContact O-N 3.09Å; D601-I605 WeakPolarHBondContact O-CG1 3.5Å; D601-I605 PolarHBondContact O-N 3.47Å; D601-I605 VanDerWaalsContact O-N 3.14Å
602	I	87.9	Confident	79.5	Confident	14 Å²	14	72.3 Å²	72.3	7%	0.072	37%	0.366	C	S	.	.	H	α-helix	trans	-57.3	-33.2	177.3	-172.6	59.1	0	0	0	112	L415 K418 L419 K422 I604 I605 L606	L415-I602 HydrophobicContact CD1-CD1 3.49Å; L415-I602 VanDerWaalsContact CD1-CD1 3.49Å; K418-I602 HydrophobicContact CB-CB 4.14Å; K418-I602 HydrophobicContact CB-CD1 4.23Å; K418-I602 HydrophobicContact CB-CG1 4.37Å; L419-I602 HydrophobicContact CB-CD1 4.22Å; L419-I602 HydrophobicContact CD1-CD1 4.47Å; L419-I602 HydrophobicContact CD1-CG1 4.45Å; K422-I602 HydrophobicContact CD-CG2 3.88Å; I602-I604 VanDerWaalsContact C-N 3.35Å; I602-I604 PolarHBondContact O-N 2.95Å; I602-I605 PolarHBondContact O-N 2.94Å; I602-L606 HydrophobicContact CD1-CG 4.29Å; I602-L606 HydrophobicContact CG1-CD1 4.12Å; I602-L606 HydrophobicContact CG1-CG 4.26Å; I602-L606 WeakPolarHBondContact O-CB 3.37Å; I602-L606 WeakPolarHBondContact O-CG 3.43Å; I602-L606 PolarHBondContact O-N 3.46Å
603	D	89.1	Confident	80.4	Confident	88 Å²	88	71 Å²	71	47%	0.471	36%	0.356	S	S	.	.	H	α-helix	trans	-64.2	-39.1	176.8	-82.9	-51.7	0	0	0	112.9	K422 D601 L606 A607	K422-D603 IonicContact NZ-OD1 2.67Å; K422-D603 PolarHBondContact NZ-OD1 3.39Å; K422-D603 IonicContact NZ-OD2 3.63Å; K422-D603 PolarHBondContact NZ-OD2 3.4Å; D601-D603 PolarHBondContact O-N 2.87Å; D601-D603 PolarHBondContact OD1-N 3.42Å; D601-D603 VanDerWaalsContact OD1-N 3.17Å; D603-L606 PolarHBondContact O-N 3.12Å; D603-A607 WeakPolarHBondContact O-CB 3.23Å; D603-A607 PolarHBondContact O-N 2.71Å
604	I	89.7	Confident	81.5	Confident	96 Å²	96	66.1 Å²	66.1	49%	0.492	35%	0.346	S	S	.	.	H	α-helix	trans	-68.1	-43.8	177.4	-61.6	171.4	0	0	0	109.8	D601 I602 L606 A607 R608	D601-I604 HydrophobicContact CB-CD1 4.05Å; D601-I604 HydrophobicContact CB-CG1 4.21Å; D601-I604 PolarHBondContact O-N 3.25Å; D601-I604 VanDerWaalsContact O-N 3.09Å; I602-I604 VanDerWaalsContact C-N 3.35Å; I602-I604 PolarHBondContact O-N 2.95Å; I604-L606 VanDerWaalsContact C-N 3.33Å; I604-L606 PolarHBondContact O-N 3.21Å; I604-A607 PolarHBondContact O-N 2.85Å; I604-R608 WeakPolarHBondContact O-CB 3.06Å; I604-R608 PolarHBondContact O-N 3.47Å
605	I	87.7	Confident	82.7	Confident	11 Å²	11	64.1 Å²	64.1	6%	0.056	33%	0.333	C	S	.	.	H	α-helix	trans	-61	-43.3	177.9	-64.1	169.6	0	0	0	110.8	I339 L415 E600 D601 I602 G609	I339-I605 HydrophobicContact CG2-CG2 3.44Å; I339-I605 VanDerWaalsContact CG2-CG2 3.44Å; L415-I605 HydrophobicContact CD1-CG2 3.9Å; E600-I605 HydrophobicContact CB-CD1 4.3Å; E600-I605 HydrophobicContact CB-CG1 4.09Å; D601-I605 WeakPolarHBondContact O-CG1 3.5Å; D601-I605 PolarHBondContact O-N 3.47Å; D601-I605 VanDerWaalsContact O-N 3.14Å; I602-I605 PolarHBondContact O-N 2.94Å; I605-G609 PolarHBondContact O-N 2.85Å
606	L	89.8	Confident	83.5	Confident	11 Å²	11	62.7 Å²	62.7	6%	0.058	32%	0.319	C	S	.	.	H	α-helix	trans	-66	-46.2	177.6	-71.4	176.7	0	0	0	112	I339 L419 F533 I602 D603 I604 R608 G609 E610	I339-L606 HydrophobicContact CD1-CD2 3.47Å; I339-L606 VanDerWaalsContact CD1-CD2 3.47Å; I339-L606 HydrophobicContact CG1-CD2 4.09Å; L419-L606 HydrophobicContact CD1-CD1 4.48Å; F533-L606 HydrophobicContact CD1-CD2 4Å; F533-L606 HydrophobicContact CE1-CD2 3.65Å; F533-L606 HydrophobicContact CZ-CD2 4.47Å; I602-L606 HydrophobicContact CD1-CG 4.29Å; I602-L606 HydrophobicContact CG1-CD1 4.12Å; I602-L606 HydrophobicContact CG1-CG 4.26Å; I602-L606 WeakPolarHBondContact O-CB 3.37Å; I602-L606 WeakPolarHBondContact O-CG 3.43Å; I602-L606 PolarHBondContact O-N 3.46Å; D603-L606 PolarHBondContact O-N 3.12Å; I604-L606 VanDerWaalsContact C-N 3.33Å; I604-L606 PolarHBondContact O-N 3.21Å; L606-R608 VanDerWaalsContact C-N 3.34Å; L606-R608 PolarHBondContact O-N 2.86Å; L606-G609 WeakPolarHBondContact O-CA 3.37Å; L606-G609 PolarHBondContact O-N 3.31Å; L606-G609 VanDerWaalsContact O-N 3.13Å; L606-E610 PolarHBondContact O-N 3.33Å
607	A	90.2	Very high	84.4	Confident	56 Å²	56	65.3 Å²	65.3	46%	0.463	33%	0.333	S	S	.	.	H	α-helix	trans	-60.5	-43	178.1	0	0	0	0	0	112	D603 I604 G609 E610 Q611	D603-A607 WeakPolarHBondContact O-CB 3.23Å; D603-A607 PolarHBondContact O-N 2.71Å; I604-A607 PolarHBondContact O-N 2.85Å; A607-G609 VanDerWaalsContact C-N 3.32Å; A607-G609 PolarHBondContact O-N 3.4Å; A607-E610 PolarHBondContact O-N 3.1Å; A607-Q611 PolarHBondContact O-N 2.99Å
608	R	88.8	Confident	85.4	Confident	108 Å²	108	69.8 Å²	69.8	41%	0.408	36%	0.355	S	S	.	.	H	α-helix	trans	-63.9	-38.4	174.7	-172.2	177.6	-179	-150.2	-8	111.9	E538 I604 L606 K612	E538-R608 IonicContact OE1-CZ 3.62Å; E538-R608 IonicContact OE1-NH2 2.71Å; I604-R608 WeakPolarHBondContact O-CB 3.06Å; I604-R608 PolarHBondContact O-N 3.47Å; L606-R608 VanDerWaalsContact C-N 3.34Å; L606-R608 PolarHBondContact O-N 2.86Å; R608-K612 WeakPolarHBondContact O-CB 3.35Å; R608-K612 WeakPolarHBondContact O-CG 3.31Å; R608-K612 PolarHBondContact O-N 3.01Å
609	G	88.7	Confident	85.9	Confident	1 Å²	1	69.7 Å²	69.7	1%	0.01	35%	0.354	C	S	.	.	H	α-helix	trans	-62.9	-45.2	174.3	0	0	0	0	0	112.6	K338 I605 L606 A607 K612 T613	K338-G609 CarbonylContact O-C 3.5Å; K338-G609 WeakPolarHBondContact O-CA 3.48Å; I605-G609 PolarHBondContact O-N 2.85Å; L606-G609 WeakPolarHBondContact O-CA 3.37Å; L606-G609 PolarHBondContact O-N 3.31Å; L606-G609 VanDerWaalsContact O-N 3.13Å; A607-G609 VanDerWaalsContact C-N 3.32Å; A607-G609 PolarHBondContact O-N 3.4Å; G609-K612 PolarHBondContact O-N 2.85Å; G609-T613 WeakPolarHBondContact O-CB 3.48Å; G609-T613 PolarHBondContact O-N 2.88Å; G609-T613 PolarHBondContact O-OG1 3.29Å
610	E	90.1	Very high	86.2	Confident	112 Å²	112	64.1 Å²	64.1	52%	0.523	32%	0.324	S	S	.	.	H	α-helix	trans	-61.6	-45	176.3	-72.4	-173.8	177	0	0	111.4	C337 L606 A607 T613 A614	C337-E610 HydrophobicContact CB-CG 4.27Å; L606-E610 PolarHBondContact O-N 3.33Å; A607-E610 PolarHBondContact O-N 3.1Å; E610-T613 WeakPolarHBondContact O-CB 3.31Å; E610-T613 PolarHBondContact O-N 3.16Å; E610-A614 PolarHBondContact O-N 2.88Å
611	Q	90.5	Very high	86	Confident	122 Å²	122	64.9 Å²	64.9	57%	0.57	34%	0.34	S	S	*	.	H	α-helix	trans	-59.8	-53.7	176.3	-175.9	-175.6	-11.6	0	0	111.9	A607 T613 A614 E615	A607-Q611 PolarHBondContact O-N 2.99Å; Q611-T613 PolarHBondContact O-N 2.97Å; Q611-A614 WeakPolarHBondContact O-CB 3.29Å; Q611-A614 PolarHBondContact O-N 2.76Å; Q611-A614 VanDerWaalsContact O-N 3.09Å; Q611-E615 WeakPolarHBondContact CG-OE1 3.33Å; Q611-E615 PolarHBondContact NE2-OE1 3.43Å; Q611-E615 WeakPolarHBondContact O-CG 3.39Å; Q611-E615 PolarHBondContact O-N 2.79Å
612	K	87.3	Confident	85.5	Confident	51 Å²	51	67.2 Å²	67.2	22%	0.222	35%	0.348	C	S	.	.	H	α-helix	trans	-59.1	-35	177.7	-78.2	-172.9	172.3	-169.6	0	112.4	Y340 E538 R608 G609 M616	Y340-K612 HydrophobicContact CD2-CB 4.05Å; Y340-K612 HydrophobicContact CD2-CD 3.53Å; Y340-K612 HydrophobicContact CD2-CG 4.46Å; Y340-K612 HydrophobicContact CE2-CB 3.8Å; Y340-K612 HydrophobicContact CE2-CD 3.92Å; Y340-K612 HydrophobicContact CG-CD 3.91Å; E538-K612 IonicContact OE1-NZ 3.96Å; E538-K612 PolarHBondContact OE1-NZ 3.41Å; R608-K612 WeakPolarHBondContact O-CB 3.35Å; R608-K612 WeakPolarHBondContact O-CG 3.31Å; R608-K612 PolarHBondContact O-N 3.01Å; G609-K612 PolarHBondContact O-N 2.85Å; K612-M616 WeakPolarHBondContact O-CB 3.4Å; K612-M616 PolarHBondContact O-N 3.49Å
613	T	88.3	Confident	84.6	Confident	7 Å²	7	68.7 Å²	68.7	4%	0.043	36%	0.355	C	S	.	.	H	α-helix	trans	-65.8	-43.7	176.7	-55.9	0	0	0	0	111.1	K338 G609 E610 Q611 N617	K338-T613 WeakPolarHBondContact CB-OG1 3.48Å; K338-T613 HydrophobicContact CD-CG2 4.2Å; K338-T613 HydrophobicContact CG-CG2 4.27Å; K338-T613 PolarHBondContact N-OG1 2.83Å; G609-T613 WeakPolarHBondContact O-CB 3.48Å; G609-T613 PolarHBondContact O-N 2.88Å; G609-T613 PolarHBondContact O-OG1 3.29Å; E610-T613 WeakPolarHBondContact O-CB 3.31Å; E610-T613 PolarHBondContact O-N 3.16Å; Q611-T613 PolarHBondContact O-N 2.97Å; T613-N617 WeakPolarHBondContact O-CB 3.43Å; T613-N617 PolarHBondContact O-N 2.89Å; T613-N617 PolarHBondContact O-ND2 3.24Å
614	A	88.4	Confident	83.3	Confident	57 Å²	57	66.4 Å²	66.4	47%	0.471	35%	0.353	S	S	.	.	H	α-helix	trans	-63.6	-47.8	176.7	0	0	0	0	0	111.6	E610 Q611 M616 N617 E618	E610-A614 PolarHBondContact O-N 2.88Å; Q611-A614 WeakPolarHBondContact O-CB 3.29Å; Q611-A614 PolarHBondContact O-N 2.76Å; Q611-A614 VanDerWaalsContact O-N 3.09Å; A614-M616 VanDerWaalsContact C-N 3.33Å; A614-M616 PolarHBondContact O-N 2.7Å; A614-N617 PolarHBondContact O-N 3.2Å; A614-E618 PolarHBondContact O-N 3.22Å
615	E	87.4	Confident	81.7	Confident	84 Å²	84	64.9 Å²	64.9	39%	0.393	34%	0.344	S	S	.	.	H	α-helix	trans	-57.7	-44.1	177	-71	170.4	-171.5	0	0	111.9	Q611 E618 K619	Q611-E615 WeakPolarHBondContact CG-OE1 3.33Å; Q611-E615 PolarHBondContact NE2-OE1 3.43Å; Q611-E615 WeakPolarHBondContact O-CG 3.39Å; Q611-E615 PolarHBondContact O-N 2.79Å; E615-E618 PolarHBondContact O-N 3.36Å; E615-K619 WeakPolarHBondContact O-CG 3.25Å; E615-K619 PolarHBondContact O-N 3.35Å
616	M	82.3	Confident	79.9	Confident	32 Å²	32	68.8 Å²	68.8	16%	0.158	37%	0.372	C	S	.	.	H	α-helix	trans	-69.5	-37.9	178.4	-171.6	167.3	58.4	0	0	112.2	K338 Y340 E550 K612 A614 E618 K619 L620	K338-M616 HydrophobicContact CD-CE 3.21Å; K338-M616 VanDerWaalsContact CE-CE 3.46Å; Y340-M616 WeakPolarHBondContact OH-CE 3.33Å; E550-M616 WeakPolarHBondContact OE2-CE 3.34Å; K612-M616 WeakPolarHBondContact O-CB 3.4Å; K612-M616 PolarHBondContact O-N 3.49Å; A614-M616 VanDerWaalsContact C-N 3.33Å; A614-M616 PolarHBondContact O-N 2.7Å; M616-E618 VanDerWaalsContact C-N 3.3Å; M616-E618 PolarHBondContact O-N 3.22Å; M616-K619 PolarHBondContact O-N 3.05Å; M616-L620 HydrophobicContact CG-CD1 4.14Å; M616-L620 VanDerWaalsContact O-CB 3.29Å; M616-L620 WeakPolarHBondContact O-CB 3.32Å; M616-L620 WeakPolarHBondContact O-CG 3.26Å; M616-L620 PolarHBondContact O-N 3.15Å
617	N	82.5	Confident	78.3	Confident	80 Å²	80	71.5 Å²	71.5	43%	0.428	39%	0.387	S	S	.	.	H	α-helix	trans	-63.5	-37.6	174.5	-72.3	-16.4	0	0	0	111.5	T613 A614 A621	T613-N617 WeakPolarHBondContact O-CB 3.43Å; T613-N617 PolarHBondContact O-N 2.89Å; T613-N617 PolarHBondContact O-ND2 3.24Å; A614-N617 PolarHBondContact O-N 3.2Å; N617-A621 WeakPolarHBondContact O-CB 3.37Å; N617-A621 PolarHBondContact O-N 2.97Å
618	E	84.1	Confident	76.7	Confident	120 Å²	120	69 Å²	69	56%	0.561	37%	0.365	S	S	*	.	H	α-helix	trans	-68	-47.9	175.8	-172.5	174.6	-174	0	0	111.9	A614 E615 M616 L620 A621 Q622	A614-E618 PolarHBondContact O-N 3.22Å; E615-E618 PolarHBondContact O-N 3.36Å; M616-E618 VanDerWaalsContact C-N 3.3Å; M616-E618 PolarHBondContact O-N 3.22Å; E618-L620 VanDerWaalsContact C-N 3.29Å; E618-L620 PolarHBondContact O-N 2.79Å; E618-A621 WeakPolarHBondContact O-CA 3.28Å; E618-A621 WeakPolarHBondContact O-CB 3.45Å; E618-A621 PolarHBondContact O-N 2.98Å; E618-Q622 WeakPolarHBondContact O-CG 3.45Å; E618-Q622 PolarHBondContact O-N 2.89Å
619	K	78.9	Confident	74.9	Confident	134 Å²	134	70.8 Å²	70.8	58%	0.583	37%	0.372	S	S	*	.	H	α-helix	trans	-56.5	-44.8	172.7	-75	-178.2	-178.5	-175.8	0	111.4	E615 M616 A621 Q622 L623	E615-K619 WeakPolarHBondContact O-CG 3.25Å; E615-K619 PolarHBondContact O-N 3.35Å; M616-K619 PolarHBondContact O-N 3.05Å; K619-A621 VanDerWaalsContact C-N 3.32Å; K619-A621 PolarHBondContact O-N 3.28Å; K619-Q622 PolarHBondContact O-N 3.37Å; K619-L623 WeakPolarHBondContact O-CG 3.46Å; K619-L623 PolarHBondContact O-N 3.37Å
620	L	75.3	Confident	73.2	Confident	17 Å²	17	73.6 Å²	73.6	9%	0.089	39%	0.392	C	S	.	.	H	α-helix	trans	-62.2	-40	175.2	-80.7	166.5	0	0	0	111.4	E550 M551 K554 M616 E618 L623	E550-L620 HydrophobicContact CB-CD1 3.62Å; E550-L620 HydrophobicContact CB-CD2 4.49Å; E550-L620 HydrophobicContact CG-CD1 4.35Å; E550-L620 VanDerWaalsContact OE2-CD1 3.27Å; E550-L620 WeakPolarHBondContact OE2-CD1 3.45Å; M551-L620 HydrophobicContact CG-CD2 3.9Å; K554-L620 WeakPolarHBondContact CD-O 3.44Å; K554-L620 WeakPolarHBondContact CE-O 3.44Å; K554-L620 PolarHBondContact NZ-O 3.31Å; M616-L620 HydrophobicContact CG-CD1 4.14Å; M616-L620 VanDerWaalsContact O-CB 3.29Å; M616-L620 WeakPolarHBondContact O-CB 3.32Å; M616-L620 WeakPolarHBondContact O-CG 3.26Å; M616-L620 PolarHBondContact O-N 3.15Å; E618-L620 VanDerWaalsContact C-N 3.29Å; E618-L620 PolarHBondContact O-N 2.79Å; L620-L623 HydrophobicContact CD2-CD1 4.17Å; L620-L623 PolarHBondContact O-N 3.14Å
621	A	74.8	Confident	71.5	Confident	70 Å²	70	70.2 Å²	70.2	58%	0.579	38%	0.377	S	S	*	.	H	α-helix	trans	-62.7	-42.1	177.4	0	0	0	0	0	112	K554 N617 E618 K619	K554-A621 PolarHBondContact NZ-O 3.28Å; N617-A621 WeakPolarHBondContact O-CB 3.37Å; N617-A621 PolarHBondContact O-N 2.97Å; E618-A621 WeakPolarHBondContact O-CA 3.28Å; E618-A621 WeakPolarHBondContact O-CB 3.45Å; E618-A621 PolarHBondContact O-N 2.98Å; K619-A621 VanDerWaalsContact C-N 3.32Å; K619-A621 PolarHBondContact O-N 3.28Å
622	Q	74.4	Confident	69.4	Low	140 Å²	140	71.5 Å²	71.5	65%	0.654	38%	0.381	S	S	*	.	H	α-helix	trans	-70.4	-27.1	178.5	-66.9	175.3	6.4	0	0	113.6	E618 K619 G624	E618-Q622 WeakPolarHBondContact O-CG 3.45Å; E618-Q622 PolarHBondContact O-N 2.89Å; K619-Q622 PolarHBondContact O-N 3.37Å; Q622-G624 PolarHBondContact O-N 2.82Å; Q622-G624 VanDerWaalsContact O-N 3.1Å
623	L	68.4	Low	67.6	Low	45 Å²	45	72 Å²	72	24%	0.236	38%	0.383	C	S	.	.	S	Bend	trans	-61.2	115	176.3	-79.7	166.9	0	0	0	111.1	K554 K619 L620 N627 L628	K554-L623 PolarHBondContact NZ-O 3.45Å; K619-L623 WeakPolarHBondContact O-CG 3.46Å; K619-L623 PolarHBondContact O-N 3.37Å; L620-L623 HydrophobicContact CD2-CD1 4.17Å; L620-L623 PolarHBondContact O-N 3.14Å; L623-N627 HydrophobicContact CD2-CB 4.09Å; L623-L628 HydrophobicContact CB-CD2 4.39Å
624	G	60.8	Low	65.2	Low	41 Å²	41	77.1 Å²	77.1	42%	0.423	41%	0.41	S	S	.	.			trans	-67.1	158.6	176.5	0	0	0	0	0	113.4	Q622 S626 N627 L628	Q622-G624 PolarHBondContact O-N 2.82Å; Q622-G624 VanDerWaalsContact O-N 3.1Å; G624-S626 VanDerWaalsContact C-N 3.26Å; G624-S626 PolarHBondContact O-N 3.41Å; G624-N627 PolarHBondContact O-N 2.99Å; G624-N627 VanDerWaalsContact O-N 3.14Å; G624-L628 PolarHBondContact O-N 3.25Å
625	E	57.8	Low	62.7	Low	63 Å²	63	79.2 Å²	79.2	29%	0.294	42%	0.417	S	S	.	.	H	α-helix	trans	-52.6	-40.4	-176.6	-91.2	-173.3	172.2	0	0	114.1	L558 Q562 N627 L628 R629	L558-E625 HydrophobicContact CD1-CG 3.91Å; Q562-E625 PolarHBondContact NE2-OE1 3.43Å; Q562-E625 PolarHBondContact OE1-OE1 2.95Å; E625-N627 VanDerWaalsContact C-N 3.3Å; E625-N627 PolarHBondContact O-N 2.97Å; E625-L628 PolarHBondContact O-N 3.28Å; E625-R629 WeakPolarHBondContact O-CG 3.37Å; E625-R629 PolarHBondContact O-N 2.95Å
626	S	49.2	Very low	59.9	Low	94 Å²	94	78.1 Å²	78.1	66%	0.657	42%	0.422	S	S	*	.	H	α-helix	trans	-58.9	-41.8	-178.5	-44.5	0	0	0	0	112	G624 R629 S630	G624-S626 VanDerWaalsContact C-N 3.26Å; G624-S626 PolarHBondContact O-N 3.41Å; S626-R629 PolarHBondContact O-N 3.08Å; S626-S630 PolarHBondContact O-N 3.41Å
627	N	55.9	Low	57.5	Low	68 Å²	68	81.8 Å²	81.8	36%	0.364	44%	0.443	S	S	.	.	H	α-helix	trans	-73.6	-36.5	-179.8	-67.2	-1.9	0	0	0	111.2	L623 G624 E625 R629 S630 L631	L623-N627 HydrophobicContact CD2-CB 4.09Å; G624-N627 PolarHBondContact O-N 2.99Å; G624-N627 VanDerWaalsContact O-N 3.14Å; E625-N627 VanDerWaalsContact C-N 3.3Å; E625-N627 PolarHBondContact O-N 2.97Å; N627-R629 VanDerWaalsContact C-N 3.31Å; N627-R629 PolarHBondContact O-N 3.45Å; N627-S630 PolarHBondContact O-N 3.16Å; N627-S630 PolarHBondContact O-OG 3.11Å; N627-L631 PolarHBondContact O-N 2.99Å; N627-L631 VanDerWaalsContact O-N 3.15Å
628	L	56.1	Low	55.3	Low	2 Å²	2	87.3 Å²	87.3	1%	0.01	47%	0.466	C	S	.	.	H	α-helix	trans	-63.7	-37.2	175.2	-66.3	168.6	0	0	0	111.8	M551 K554 L555 L558 L623 G624 E625 L631	M551-L628 HydrophobicContact CB-CD2 4.19Å; M551-L628 HydrophobicContact CG-CD2 4.06Å; K554-L628 HydrophobicContact CB-CD2 4.5Å; K554-L628 HydrophobicContact CD-CD1 3.66Å; K554-L628 HydrophobicContact CD-CD2 4.15Å; K554-L628 HydrophobicContact CG-CD1 3.99Å; L555-L628 HydrophobicContact CD1-CB 4.41Å; L555-L628 WeakPolarHBondContact CD1-O 3.2Å; L558-L628 HydrophobicContact CD1-CD1 3.62Å; L623-L628 HydrophobicContact CB-CD2 4.39Å; G624-L628 PolarHBondContact O-N 3.25Å; E625-L628 PolarHBondContact O-N 3.28Å; L628-L631 WeakPolarHBondContact O-CD2 3.49Å
629	R	52.8	Low	52.9	Low	147 Å²	147	89.3 Å²	89.3	56%	0.555	48%	0.481	S	S	*	.	H	α-helix	trans	-70.4	-41.8	178	-74.3	-177.6	-177.7	-158.3	0.7	112.9	L555 E625 S626 N627 L631	L555-R629 HydrophobicContact CD1-CG 4.09Å; E625-R629 WeakPolarHBondContact O-CG 3.37Å; E625-R629 PolarHBondContact O-N 2.95Å; S626-R629 PolarHBondContact O-N 3.08Å; N627-R629 VanDerWaalsContact C-N 3.31Å; N627-R629 PolarHBondContact O-N 3.45Å; R629-L631 PolarHBondContact O-N 2.99Å
630	S	52.7	Low	50.7	Low	59 Å²	59	86.2 Å²	86.2	41%	0.413	49%	0.486	S	S	.	.	H	α-helix	trans	-73	-17.4	179.7	70	0	0	0	0	112.3	S626 N627 K632	S626-S630 PolarHBondContact O-N 3.41Å; N627-S630 PolarHBondContact O-N 3.16Å; N627-S630 PolarHBondContact O-OG 3.11Å; S630-K632 PolarHBondContact O-N 3.27Å; S630-K632 PolarHBondContact OG-N 2.94Å
631	L	53.9	Low	48.4	Very low	41 Å²	41	88.2 Å²	88.2	22%	0.215	51%	0.506	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	23.5	-171.4	-64.5	169.7	0	0	0	112	M551 N627 L628 R629	M551-L631 HydrophobicContact CB-CD2 3.92Å; M551-L631 HydrophobicContact CE-CD2 4.28Å; M551-L631 HydrophobicContact SD-CD2 4.4Å; N627-L631 PolarHBondContact O-N 2.99Å; N627-L631 VanDerWaalsContact O-N 3.15Å; L628-L631 WeakPolarHBondContact O-CD2 3.49Å; R629-L631 PolarHBondContact O-N 2.99Å
632	K	46.2	Very low	46.3	Very low	149 Å²	149	89.6 Å²	89.6	65%	0.648	51%	0.508	S	S	*	.			trans	-89.5	134.1	-179.1	-71.2	-171.4	179	-177.3	0	110.1	S630 D634	S630-K632 PolarHBondContact O-N 3.27Å; S630-K632 PolarHBondContact OG-N 2.94Å; K632-D634 PolarHBondContact O-N 2.98Å
633	F	49.7	Very low	44.4	Very low	62 Å²	62	85.9 Å²	85.9	27%	0.272	50%	0.496	S	S	.	.			trans	-85	77.8	-177.4	-60.9	-90.7	0	0	0	110.5	M547 M551 D580 T635	M547-F633 HydrophobicContact CE-CD1 3.63Å; M547-F633 HydrophobicContact CE-CE1 3.87Å; M547-F633 HydrophobicContact CG-CE1 4.17Å; M547-F633 HydrophobicContact SD-CD1 3.77Å; M547-F633 HydrophobicContact SD-CE1 3.51Å; M547-F633 VanDerWaalsContact SD-CE1 3.51Å; M551-F633 HydrophobicContact CE-CE1 3.99Å; M551-F633 HydrophobicContact CE-CZ 4.14Å; D580-F633 WeakPolarHBondContact OD2-CD2 3.46Å; D580-F633 WeakPolarHBondContact OD2-CE2 3.41Å; F633-T635 PolarHBondContact O-N 3.44Å
634	D	36.9	Very low	42.8	Very low	114 Å²	114	85.6 Å²	85.6	61%	0.61	50%	0.497	S	S	*	.			trans	-88.1	96.7	164.5	-70.7	-17.2	0	0	0	107.4	K632 A636	K632-D634 PolarHBondContact O-N 2.98Å; D634-A636 PolarHBondContact O-N 3.37Å
635	T	36.1	Very low	42	Very low	102 Å²	102	88.4 Å²	88.4	63%	0.626	52%	0.517	S	S	*	.			trans	-63.1	105.4	168.9	43.7	0	0	0	0	107.7	F633 T643	F633-T635 PolarHBondContact O-N 3.44Å; T635-T643 PolarHBondContact O-OG1 2.86Å
636	A	29.4	Very low	41	Very low	60 Å²	60	89.1 Å²	89.1	50%	0.496	52%	0.517	S	S	.	.	B	Isolated β-bridge	trans	-91.5	125.7	166	0	0	0	0	0	108.3	D634	D634-A636 PolarHBondContact O-N 3.37Å
637	D	32.3	Very low	40.1	Very low	110 Å²	110	89.9 Å²	89.9	59%	0.588	51%	0.513	S	S	*	.			trans	-78.7	171	168.3	-83.2	-20.8	0	0	0	111.7	N639 G640 T643	D637-N639 PolarHBondContact O-N 3.22Å; D637-G640 PolarHBondContact O-N 3Å; D637-T643 HydrophobicContact CB-CG2 3.78Å; D637-T643 PolarHBondContact N-OG1 3.4Å
638	E	35.6	Very low	38.9	Very low	196 Å²	196	93.5 Å²	93.5	92%	0.916	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-11.4	-161.5	-64.9	-174.8	159.3	0	0	116.9
639	N	33.9	Very low	38	Very low	162 Å²	162	101.9 Å²	101.9	87%	0.866	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	15.7	177.4	-67.7	-23.3	0	0	0	114.4	D637 A641	D637-N639 PolarHBondContact O-N 3.22Å; N639-A641 PolarHBondContact O-N 3.4Å
640	G	32.8	Very low	37.5	Very low	68 Å²	68	98.3 Å²	98.3	70%	0.701	57%	0.573	S	S	*	*	S	Bend	trans	67.5	4.5	169.1	0	0	0	0	0	115.5	D637	D637-G640 PolarHBondContact O-N 3Å
641	A	27.7	Very low	36.5	Very low	60 Å²	60	101.5 Å²	101.5	50%	0.496	58%	0.581	S	S	.	*	S	Bend	trans	-89.1	134.1	168.9	0	0	0	0	0	109.1	N639 T643	N639-A641 PolarHBondContact O-N 3.4Å; A641-T643 PolarHBondContact O-N 3.12Å
642	P	29.9	Very low	36	Very low	98 Å²	98	103.3 Å²	103.3	64%	0.636	59%	0.592	S	S	*	*	B	Isolated β-bridge	trans	-60.9	110.4	176.6	24.4	-31.3	0	0	0	108.5	S644	P642-S644 PolarHBondContact O-N 3.46Å
643	T	34.5	Very low	36	Very low	63 Å²	63	101 Å²	101	39%	0.387	58%	0.58	S	S	.	*			trans	-71.6	69.9	172.3	33.9	0	0	0	0	109.2	T635 D637 A641 A645	T635-T643 PolarHBondContact O-OG1 2.86Å; D637-T643 HydrophobicContact CB-CG2 3.78Å; D637-T643 PolarHBondContact N-OG1 3.4Å; A641-T643 PolarHBondContact O-N 3.12Å; T643-A645 PolarHBondContact O-N 3.46Å
644	S	34.1	Very low	35.6	Very low	38 Å²	38	105.1 Å²	105.1	27%	0.266	59%	0.593	S	S	.	*			trans	-69.6	116.9	144.3	78.4	0	0	0	0	104.8	P642 Y646	P642-S644 PolarHBondContact O-N 3.46Å; S644-Y646 PolarHBondContact O-N 2.94Å
645	A	44.3	Very low	35.8	Very low	101 Å²	101	108.3 Å²	108.3	84%	0.835	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	24.3	-178.7	0	0	0	0	0	114.4	T643	T643-A645 PolarHBondContact O-N 3.46Å
646	Y	36.3	Very low	35.9	Very low	77 Å²	77	112.1 Å²	112.1	30%	0.302	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111.5	-4.8	-169.4	-69.8	-73.6	0	0	0	114.2	S644 Y653 Q657	S644-Y646 PolarHBondContact O-N 2.94Å; Y646-Y653 PolarHBondContact O-N 3.36Å; Y646-Q657 VanDerWaalsContact CE1-OE1 3.26Å; Y646-Q657 PolarHBondContact OH-OE1 3.16Å; Y646-Q657 VanDerWaalsContact OH-OE1 3.08Å
647	I	31.2	Very low	36.1	Very low	110 Å²	110	113 Å²	113	56%	0.564	61%	0.606	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-103.9	98.2	173.4	-54.6	173.3	0	0	0	107.4
648	F	31.8	Very low	36.2	Very low	144 Å²	144	112.5 Å²	112.5	63%	0.632	61%	0.611	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-118.7	122.5	175.1	-171.6	-98.2	0	0	0	108.4	G650 E651 Y653	F648-G650 VanDerWaalsContact C-N 3.26Å; F648-G650 PolarHBondContact O-N 3.3Å; F648-E651 PolarHBondContact N-O 3.29Å; F648-E651 PolarHBondContact O-N 3.07Å; F648-Y653 HydrophobicContact CB-CE2 4.45Å
649	E	37	Very low	36.1	Very low	179 Å²	179	114.4 Å²	114.4	84%	0.836	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	47.7	41.2	-174	-64.6	-165.3	165	0	0	115.1	E651	E649-E651 VanDerWaalsContact C-N 3.33Å; E649-E651 PolarHBondContact O-N 3.02Å
650	G	41.7	Very low	36.1	Very low	71 Å²	71	109.3 Å²	109.3	73%	0.732	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	82.4	1.7	171.4	0	0	0	0	0	115.7	F648	F648-G650 VanDerWaalsContact C-N 3.26Å; F648-G650 PolarHBondContact O-N 3.3Å
651	E	32.5	Very low	36.3	Very low	126 Å²	126	110.3 Å²	110.3	59%	0.589	58%	0.581	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-108.1	133.4	171.6	-70.6	-168.6	158.3	0	0	112	F648 E649 Y653	F648-E651 PolarHBondContact N-O 3.29Å; F648-E651 PolarHBondContact O-N 3.07Å; E649-E651 VanDerWaalsContact C-N 3.33Å; E649-E651 PolarHBondContact O-N 3.02Å; E651-Y653 HydrophobicContact CB-CE2 3.97Å; E651-Y653 VanDerWaalsContact O-CD2 3.29Å; E651-Y653 WeakPolarHBondContact O-CD2 3.44Å
652	D	41.6	Very low	36.7	Very low	80 Å²	80	114 Å²	114	43%	0.428	59%	0.592	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.7	105.3	-179.8	-173.6	-6.3	0	0	0	110.1	R654	D652-R654 PolarHBondContact O-N 2.89Å; D652-R654 WeakPolarHBondContact OD1-CB 3.35Å; D652-R654 VanDerWaalsContact OD1-CD 3.31Å; D652-R654 WeakPolarHBondContact OD1-CD 3.27Å; D652-R654 WeakPolarHBondContact OD1-CG 3.03Å; D652-R654 PolarHBondContact OD1-N 3.07Å; D652-R654 IonicContact OD1-NE 2.68Å; D652-R654 IonicContact OD2-NH1 3.6Å
653	Y	46.6	Very low	37.3	Very low	101 Å²	101	114.2 Å²	114.2	40%	0.396	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.7	11.5	-173.4	-76.1	-91.2	0	0	0	114.9	Y646 F648 E651 E655 K656	Y646-Y653 PolarHBondContact O-N 3.36Å; F648-Y653 HydrophobicContact CB-CE2 4.45Å; E651-Y653 HydrophobicContact CB-CE2 3.97Å; E651-Y653 VanDerWaalsContact O-CD2 3.29Å; E651-Y653 WeakPolarHBondContact O-CD2 3.44Å; Y653-E655 VanDerWaalsContact C-N 3.28Å; Y653-E655 PolarHBondContact O-N 3.44Å; Y653-K656 PolarHBondContact O-N 3.43Å
654	R	41.8	Very low	37.7	Very low	147 Å²	147	117.8 Å²	117.8	56%	0.555	60%	0.604	S	S	*	*	H	α-helix	trans	-55.1	-37.3	178.1	-79.3	170.8	179.7	164	-0.9	114	D652 K656 Q657 S658	D652-R654 PolarHBondContact O-N 2.89Å; D652-R654 WeakPolarHBondContact OD1-CB 3.35Å; D652-R654 VanDerWaalsContact OD1-CD 3.31Å; D652-R654 WeakPolarHBondContact OD1-CD 3.27Å; D652-R654 WeakPolarHBondContact OD1-CG 3.03Å; D652-R654 PolarHBondContact OD1-N 3.07Å; D652-R654 IonicContact OD1-NE 2.68Å; D652-R654 IonicContact OD2-NH1 3.6Å; R654-K656 PolarHBondContact O-N 3.26Å; R654-Q657 PolarHBondContact O-N 3.26Å; R654-S658 PolarHBondContact O-N 3.44Å
655	E	39.9	Very low	38.4	Very low	181 Å²	181	117 Å²	117	85%	0.846	60%	0.602	S	S	*	*	H	α-helix	trans	-69.9	-36.4	-174	-71.6	-162.9	157.8	0	0	113.5	Y653 Q657	Y653-E655 VanDerWaalsContact C-N 3.28Å; Y653-E655 PolarHBondContact O-N 3.44Å; E655-Q657 VanDerWaalsContact C-N 3.28Å; E655-Q657 PolarHBondContact O-N 2.97Å
656	K	38.7	Very low	38.7	Very low	182 Å²	182	119.1 Å²	119.1	79%	0.791	59%	0.588	S	S	*	*	H	α-helix	trans	-74.8	-18.1	178.9	-79.5	-179.2	-179.9	168.9	0	113.1	Y653 R654	Y653-K656 PolarHBondContact O-N 3.43Å; R654-K656 PolarHBondContact O-N 3.26Å
657	Q	33.2	Very low	39.8	Very low	80 Å²	80	115.7 Å²	115.7	37%	0.374	58%	0.575	S	S	.	*	H	α-helix	trans	-109	6.1	-178.8	-141	-175.5	34.4	0	0	115.3	Y646 R654 E655 R659 T660 S661	Y646-Q657 VanDerWaalsContact CE1-OE1 3.26Å; Y646-Q657 PolarHBondContact OH-OE1 3.16Å; Y646-Q657 VanDerWaalsContact OH-OE1 3.08Å; R654-Q657 PolarHBondContact O-N 3.26Å; E655-Q657 VanDerWaalsContact C-N 3.28Å; E655-Q657 PolarHBondContact O-N 2.97Å; Q657-R659 PolarHBondContact O-N 3.33Å; Q657-T660 VanDerWaalsContact CG-OG1 3.27Å; Q657-T660 WeakPolarHBondContact CG-OG1 3.38Å; Q657-T660 PolarHBondContact O-N 3.15Å; Q657-S661 PolarHBondContact O-N 2.81Å
658	S	34.2	Very low	41.2	Very low	99 Å²	99	116.9 Å²	116.9	69%	0.692	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.4	-27.9	168.1	176	0	0	0	0	112.5	R654	R654-S658 PolarHBondContact O-N 3.44Å
659	R	35.2	Very low	42.5	Very low	235 Å²	235	113.1 Å²	113.1	89%	0.887	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	-11.9	173.7	-72.1	-176.1	61.7	131.8	-0.4	116.2	Q657	Q657-R659 PolarHBondContact O-N 3.33Å
660	T	34.1	Very low	43.4	Very low	55 Å²	55	107.5 Å²	107.5	34%	0.337	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	3.6	-175.9	-14.2	0	0	0	0	114	Q657 L662 L663	Q657-T660 VanDerWaalsContact CG-OG1 3.27Å; Q657-T660 WeakPolarHBondContact CG-OG1 3.38Å; Q657-T660 PolarHBondContact O-N 3.15Å; T660-L662 PolarHBondContact O-N 2.68Å; T660-L663 HydrophobicContact CG2-CD1 3.55Å; T660-L663 HydrophobicContact CG2-CG 4.11Å; T660-L663 PolarHBondContact O-N 3.08Å
661	S	35	Very low	43.8	Very low	89 Å²	89	113 Å²	113	62%	0.622	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-57.6	-13.1	174.1	-173	0	0	0	0	113.9	Q657 L663	Q657-S661 PolarHBondContact O-N 2.81Å; S661-L663 PolarHBondContact O-N 2.86Å
662	L	37.8	Very low	44.4	Very low	138 Å²	138	118.7 Å²	118.7	72%	0.723	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-65.6	-11.5	169.4	-79.6	164.1	0	0	0	114.6	T660	T660-L662 PolarHBondContact O-N 2.68Å
663	L	41	Very low	44.3	Very low	102 Å²	102	121.3 Å²	121.3	53%	0.534	58%	0.577	S	S	.	*	G	3₁₀ helix	trans	-99.5	-0.8	-175.3	-66.1	-178	0	0	0	115.6	T660 S661 G665 W666	T660-L663 HydrophobicContact CG2-CD1 3.55Å; T660-L663 HydrophobicContact CG2-CG 4.11Å; T660-L663 PolarHBondContact O-N 3.08Å; S661-L663 PolarHBondContact O-N 2.86Å; L663-G665 PolarHBondContact O-N 3.36Å; L663-W666 HydrophobicContact CD2-CB 4.12Å; L663-W666 HydrophobicContact CD2-CG 4.33Å; L663-W666 PolarHBondContact O-N 3.07Å; L663-W666 VanDerWaalsContact O-N 3.08Å
664	D	42.8	Very low	43.8	Very low	139 Å²	139	127.9 Å²	127.9	74%	0.743	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	24.1	-170.9	-147.5	17.7	0	0	0	115.4
665	G	50.5	Low	43.5	Very low	21 Å²	21	129.6 Å²	129.6	22%	0.216	61%	0.612	C	S	.	*	T	Hydrogen-bonded Turn	trans	-166.7	14.9	174.3	0	0	0	0	0	113.1	L663 I667	L663-G665 PolarHBondContact O-N 3.36Å; G665-I667 PolarHBondContact O-N 3.05Å
666	W	50	Low	43.1	Very low	145 Å²	145	125.8 Å²	125.8	55%	0.549	61%	0.612	S	S	.	*			trans	-78.7	107.5	178.8	-173.5	-86.9	0	0	0	109.5	N363 L663 E668	N363-W666 HydrophobicContact CB-CE3 4.28Å; N363-W666 HydrophobicContact CB-CZ3 4.42Å; L663-W666 HydrophobicContact CD2-CB 4.12Å; L663-W666 HydrophobicContact CD2-CG 4.33Å; L663-W666 PolarHBondContact O-N 3.07Å; L663-W666 VanDerWaalsContact O-N 3.08Å; W666-E668 PolarHBondContact O-N 3.07Å
667	I	58.4	Low	42.8	Very low	5 Å²	5	124.2 Å²	124.2	3%	0.026	61%	0.612	C	S	.	*			trans	-75.7	109.4	169.6	-59.7	174.6	0	0	0	107.3	V362 N363 R583 A586 F590 G665 P669	V362-I667 HydrophobicContact CB-CD1 4.22Å; V362-I667 HydrophobicContact CG1-CD1 3.28Å; V362-I667 HydrophobicContact CG1-CG1 4.49Å; N363-I667 PolarHBondContact ND2-O 3.46Å; N363-I667 VanDerWaalsContact OD1-CB 3.27Å; N363-I667 WeakPolarHBondContact OD1-CB 3.39Å; N363-I667 PolarHBondContact OD1-N 2.7Å; R583-I667 HydrophobicContact CG-CD1 4.3Å; A586-I667 HydrophobicContact CB-CD1 3.64Å; A586-I667 HydrophobicContact CB-CG1 4.4Å; F590-I667 HydrophobicContact CD2-CG2 3.35Å; F590-I667 HydrophobicContact CE2-CG2 3.22Å; F590-I667 HydrophobicContact CG-CG2 4.44Å; F590-I667 HydrophobicContact CZ-CG2 4.17Å; G665-I667 PolarHBondContact O-N 3.05Å; I667-P669 VanDerWaalsContact O-CD 3.3Å; I667-P669 WeakPolarHBondContact O-CD 3.4Å
668	E	61.7	Low	42.6	Very low	136 Å²	136	131.5 Å²	131.5	64%	0.636	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-68.7	116.8	175.6	-165.2	177.9	-176.7	0	0	109.6	W666	W666-E668 PolarHBondContact O-N 3.07Å
669	P	59	Low	42.6	Very low	65 Å²	65	130 Å²	130	42%	0.422	63%	0.632	S	S	.	*	P	Polyproline II helix	trans	-62.4	141.8	175.4	-12.5	24.9	0	0	0	109.6	I359 I667 K671	I359-P669 HydrophobicContact CD1-CB 4.05Å; I359-P669 HydrophobicContact CD1-CG 3.78Å; I667-P669 VanDerWaalsContact O-CD 3.3Å; I667-P669 WeakPolarHBondContact O-CD 3.4Å; P669-K671 PolarHBondContact O-N 3.27Å
670	P	56.7	Low	42.9	Very low	60 Å²	60	124.3 Å²	124.3	39%	0.39	62%	0.622	S	S	.	*	P	Polyproline II helix	trans	-58.1	142.7	178.9	21.6	-31.5	0	0	0	111.3	M356 F590 R672	M356-P670 HydrophobicContact CE-CG 3.18Å; F590-P670 HydrophobicContact CD1-CG 4.12Å; P670-R672 PolarHBondContact O-N 3.18Å
671	K	49.2	Very low	43.5	Very low	186 Å²	186	127.8 Å²	127.8	81%	0.809	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-51.8	125.2	178.1	-73.3	-178.3	178.9	176.5	0	109.6	P669 E673	P669-K671 PolarHBondContact O-N 3.27Å; K671-E673 PolarHBondContact O-N 3.21Å
672	R	44.2	Very low	43.9	Very low	246 Å²	246	127.1 Å²	127.1	93%	0.928	64%	0.639	S	S	*	*			trans	-68.6	90.4	-176.6	-163.3	178.3	-174.8	-179.3	2	110	P670 R674	P670-R672 PolarHBondContact O-N 3.18Å; R672-R674 PolarHBondContact O-N 2.97Å
673	E	41.2	Very low	44.2	Very low	136 Å²	136	129.2 Å²	129.2	64%	0.636	64%	0.639	S	S	*	*			trans	-73.4	114.5	172.7	-76.4	174.1	-168.6	0	0	109.6	K593 K671 K675	K593-E673 IonicContact NZ-OE1 3.63Å; K593-E673 PolarHBondContact NZ-OE1 3.18Å; K593-E673 IonicContact NZ-OE2 2.81Å; K593-E673 PolarHBondContact NZ-OE2 3.38Å; K671-E673 PolarHBondContact O-N 3.21Å; E673-K675 PolarHBondContact O-N 2.77Å; E673-K675 VanDerWaalsContact O-N 3.17Å
674	R	36.1	Very low	44.4	Very low	239 Å²	239	131.7 Å²	131.7	90%	0.902	65%	0.645	S	S	*	*			trans	-74	100.6	167	-68.5	-172.8	-173.6	-174.3	3.1	107.3	R672 A676	R672-R674 PolarHBondContact O-N 2.97Å; R674-A676 PolarHBondContact O-N 3.41Å
675	K	34	Very low	44.7	Very low	182 Å²	182	135.1 Å²	135.1	79%	0.791	65%	0.648	S	S	*	*			trans	-61.8	119.3	170.7	-72.9	-172.1	176.2	-175.8	0	108.8	E673 N677	E673-K675 PolarHBondContact O-N 2.77Å; E673-K675 VanDerWaalsContact O-N 3.17Å; K675-N677 PolarHBondContact O-N 3.42Å
676	A	33.1	Very low	44.5	Very low	101 Å²	101	139.4 Å²	139.4	84%	0.835	66%	0.662	S	S	*	*			trans	-71.8	114	173.4	0	0	0	0	0	108.4	R674 Y678	R674-A676 PolarHBondContact O-N 3.41Å; A676-Y678 PolarHBondContact O-N 2.87Å
677	N	31.8	Very low	44.3	Very low	150 Å²	150	136.4 Å²	136.4	80%	0.802	67%	0.668	S	S	*	*			trans	-70.2	121.5	176.9	-68	-26.4	0	0	0	109.4	K675	K675-N677 PolarHBondContact O-N 3.42Å
678	Y	28.6	Very low	43.5	Very low	233 Å²	233	143.5 Å²	143.5	91%	0.914	71%	0.705	S	S	*	*			trans	-144.2	139.4	160.6	-127.8	-92.8	0	0	0	112.8	A676	A676-Y678 PolarHBondContact O-N 2.87Å
679	A	33.9	Very low	42.5	Very low	68 Å²	68	145.9 Å²	145.9	56%	0.562	71%	0.708	S	S	*	*			trans	79.7	82.9	161.7	0	0	0	0	0	119.9	D681	A679-D681 VanDerWaalsContact C-N 3.26Å; A679-D681 PolarHBondContact O-N 3.1Å
680	V	42.6	Very low	41.7	Very low	114 Å²	114	150 Å²	150	69%	0.691	73%	0.732	S	S	*	*	S	Bend		48	-32.6	126.8	-172.9	0	0	0	0	121.2	A682 Y683	V680-A682 VanDerWaalsContact C-N 3.31Å; V680-A682 PolarHBondContact O-N 3.06Å; V680-Y683 WeakPolarHBondContact O-CB 3.48Å; V680-Y683 PolarHBondContact O-N 3.33Å; V680-Y683 VanDerWaalsContact O-N 3.15Å
681	D	45.4	Very low	40.8	Very low	128 Å²	128	151.3 Å²	151.3	68%	0.684	74%	0.743	S	S	*	*	H	α-helix	trans	-77.8	-15.8	-178.5	-74.4	-33.1	0	0	0	113.9	A679 Y683 F684	A679-D681 VanDerWaalsContact C-N 3.26Å; A679-D681 PolarHBondContact O-N 3.1Å; D681-Y683 PolarHBondContact O-N 3.17Å; D681-F684 PolarHBondContact O-N 2.81Å
682	A	44.5	Very low	40	Very low	76 Å²	76	149.8 Å²	149.8	63%	0.628	74%	0.739	S	S	*	*	H	α-helix	trans	-67.7	-26	169.5	0	0	0	0	0	112.1	V680 F684 R685 E686	V680-A682 VanDerWaalsContact C-N 3.31Å; V680-A682 PolarHBondContact O-N 3.06Å; A682-F684 VanDerWaalsContact C-N 3.3Å; A682-F684 PolarHBondContact O-N 3.31Å; A682-R685 PolarHBondContact O-N 3.39Å; A682-E686 PolarHBondContact O-N 3.39Å; A682-E686 VanDerWaalsContact O-N 3.13Å
683	Y	44	Very low	39.9	Very low	182 Å²	182	143.2 Å²	143.2	71%	0.714	73%	0.728	S	S	*	*	H	α-helix	trans	-63.5	-34.6	178.9	-177	-105.3	0	0	0	112.2	V680 D681	V680-Y683 WeakPolarHBondContact O-CB 3.48Å; V680-Y683 PolarHBondContact O-N 3.33Å; V680-Y683 VanDerWaalsContact O-N 3.15Å; D681-Y683 PolarHBondContact O-N 3.17Å
684	F	44.9	Very low	39.8	Very low	154 Å²	154	146.4 Å²	146.4	68%	0.675	74%	0.74	S	S	*	*	H	α-helix	trans	-81.2	-26.3	177.7	-86.9	-79.7	0	0	0	113.8	D681 A682 A687	D681-F684 PolarHBondContact O-N 2.81Å; A682-F684 VanDerWaalsContact C-N 3.3Å; A682-F684 PolarHBondContact O-N 3.31Å; F684-A687 VanDerWaalsContact O-CB 3.27Å; F684-A687 WeakPolarHBondContact O-CB 3.38Å
685	R	47.9	Very low	40.3	Very low	211 Å²	211	138.1 Å²	138.1	80%	0.796	72%	0.722	S	S	*	*	H	α-helix	trans	-82.2	-26.4	178.4	-91.2	-178	-175.9	142.2	2.1	113.9	A682 A687 L688	A682-R685 PolarHBondContact O-N 3.39Å; R685-A687 PolarHBondContact O-N 3.04Å; R685-L688 PolarHBondContact O-N 2.93Å
686	E	46.8	Very low	41	Very low	111 Å²	111	134 Å²	134	52%	0.519	71%	0.714	S	S	.	*	G	3₁₀ helix	trans	-65.8	-19.1	172.3	-158.9	63.3	-160.8	0	0	111.8	A682 L688 R689	A682-E686 PolarHBondContact O-N 3.39Å; A682-E686 VanDerWaalsContact O-N 3.13Å; E686-L688 PolarHBondContact O-N 3.4Å; E686-R689 PolarHBondContact O-N 3.28Å
687	A	45.9	Very low	42	Very low	81 Å²	81	138.2 Å²	138.2	67%	0.669	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-61.6	-8	175.8	0	0	0	0	0	114.7	F684 R685	F684-A687 VanDerWaalsContact O-CB 3.27Å; F684-A687 WeakPolarHBondContact O-CB 3.38Å; R685-A687 PolarHBondContact O-N 3.04Å
688	L	41.6	Very low	43.2	Very low	155 Å²	155	133.6 Å²	133.6	81%	0.812	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-116.9	7.9	-178.7	-79.7	160.6	0	0	0	114.5	R685 E686 V690	R685-L688 PolarHBondContact O-N 2.93Å; E686-L688 PolarHBondContact O-N 3.4Å; L688-V690 PolarHBondContact O-N 3.4Å
689	R	42	Very low	44.8	Very low	185 Å²	185	125.2 Å²	125.2	70%	0.698	67%	0.666	S	S	*	*			trans	-98.2	95	174.2	-83.9	-173	176.1	166.9	-0.2	112.3	E686 S691	E686-R689 PolarHBondContact O-N 3.28Å; R689-S691 VanDerWaalsContact C-N 3.26Å; R689-S691 PolarHBondContact O-N 2.9Å
690	V	40.7	Very low	46	Very low	151 Å²	151	132.4 Å²	132.4	92%	0.915	68%	0.678	S	S	*	*			trans	-71.4	81	163	-173	0	0	0	0	108.9	L688	L688-V690 PolarHBondContact O-N 3.4Å
691	S	38.2	Very low	46.9	Very low	89 Å²	89	128.3 Å²	128.3	62%	0.622	65%	0.654	S	S	*	*	S	Bend	trans	-161.8	95.8	157	57.7	0	0	0	0	107	R689 P693	R689-S691 VanDerWaalsContact C-N 3.26Å; R689-S691 PolarHBondContact O-N 2.9Å; S691-P693 VanDerWaalsContact O-CD 3.3Å; S691-P693 WeakPolarHBondContact O-CD 3.3Å; S691-P693 VanDerWaalsContact O-N 3.11Å
692	E	33.3	Very low	47.6	Very low	154 Å²	154	126.7 Å²	126.7	72%	0.72	65%	0.651	S	S	*	*			trans	-47.3	110.9	-169	-73.1	164.1	174.4	0	0	112.7	K694	E692-K694 PolarHBondContact O-N 3.24Å
693	P	40.5	Very low	48.7	Very low	107 Å²	107	133.3 Å²	133.3	70%	0.695	67%	0.665	S	S	*	*			trans	-75.9	125.5	176.1	28.3	-29	0	0	0	109.1	S691 A695	S691-P693 VanDerWaalsContact O-CD 3.3Å; S691-P693 WeakPolarHBondContact O-CD 3.3Å; S691-P693 VanDerWaalsContact O-N 3.11Å; P693-A695 PolarHBondContact O-N 3.12Å
694	K	39.2	Very low	50.2	Low	204 Å²	204	127.8 Å²	127.8	89%	0.887	65%	0.646	S	S	*	*			trans	-48.3	126.1	173.6	-73.1	-179.8	176.5	177.4	0	110.1	E692	E692-K694 PolarHBondContact O-N 3.24Å
695	A	47	Very low	51.7	Low	64 Å²	64	122.6 Å²	122.6	53%	0.529	63%	0.627	S	S	.	*			trans	-43.9	133.9	-174.9	0	0	0	0	0	112.9	P693 K697	P693-A695 PolarHBondContact O-N 3.12Å; A695-K697 PolarHBondContact O-N 3.27Å
696	P	49.2	Very low	53.3	Low	97 Å²	97	118.6 Å²	118.6	63%	0.63	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-60.9	130.2	179.4	23.4	-31.2	0	0	0	110.4	P737	P696-P737 HydrophobicContact CG-CG 4.27Å
697	K	53.7	Low	55	Low	189 Å²	189	115 Å²	115	82%	0.822	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-70.2	137.6	-178.2	-67.6	-177.3	178.6	-178.5	0	110.6	A695	A695-K697 PolarHBondContact O-N 3.27Å
698	P	58.2	Low	56.9	Low	52 Å²	52	114.2 Å²	114.2	34%	0.338	59%	0.59	S	S	.	*	P	Polyproline II helix	trans	-59.4	147.8	178.9	19.4	-29.6	0	0	0	112.2	Y734	P698-Y734 HydrophobicContact CB-CE1 4.17Å; P698-Y734 HydrophobicContact CB-CE2 4.34Å; P698-Y734 WeakPolarHBondContact CB-OH 3.42Å
699	P	61.7	Low	59	Low	57 Å²	57	109.2 Å²	109.2	37%	0.37	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-56.9	136.5	173.7	-20.1	30.6	0	0	0	111.2	I732 Y734	P699-I732 HydrophobicContact CB-CD1 3.73Å; P699-I732 HydrophobicContact CG-CD1 3.79Å; P699-Y734 VanDerWaalsContact CD-CD2 3.45Å; P699-Y734 HydrophobicContact CG-CD2 3.89Å; P699-Y734 HydrophobicContact CG-CE2 4.21Å
700	R	58	Low	61.2	Low	220 Å²	220	100.8 Å²	100.8	83%	0.83	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-84	134.5	-179.8	-67.8	-176.3	178.1	-168.8	-4.5	110.6
701	P	63.1	Low	63.6	Low	28 Å²	28	94.5 Å²	94.5	18%	0.182	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-63.4	170.1	171.9	0.5	6.2	0	0	0	112.7	I725 F728	P701-I725 HydrophobicContact CG-CB 4.26Å; P701-I725 HydrophobicContact CG-CG1 3.67Å; P701-I725 HydrophobicContact CG-CG2 4.31Å; P701-F728 HydrophobicContact CB-CB 4.2Å; P701-F728 HydrophobicContact CB-CD1 3.75Å; P701-F728 HydrophobicContact CB-CE1 4.29Å; P701-F728 HydrophobicContact CB-CG 3.91Å; P701-F728 HydrophobicContact CG-CD1 4.29Å
702	P	60.2	Low	66.1	Low	94 Å²	94	90.5 Å²	90.5	61%	0.61	46%	0.464	S	S	*	.	S	Bend	trans	-52.1	154	169.5	-21	31.9	0	0	0	111.7	Q704 F728	P702-Q704 PolarHBondContact O-N 3.03Å; P702-F728 HydrophobicContact CG-CD2 4.35Å; P702-F728 HydrophobicContact CG-CE2 4.2Å
703	K	67.2	Low	68.9	Low	215 Å²	215	83.6 Å²	83.6	94%	0.935	43%	0.432	S	S	*	.			trans	-42.6	93.3	-165.6	-167.2	-178	-178.7	-173.3	0	113.7
704	Q	74.6	Confident	71.2	Confident	66 Å²	66	79.6 Å²	79.6	31%	0.308	41%	0.406	S	S	.	.			trans	-69.1	153.1	175.4	-72.2	-162	-39.8	0	0	111.7	P702 N706 L721	P702-Q704 PolarHBondContact O-N 3.03Å; Q704-N706 PolarHBondContact O-N 2.7Å; Q704-L721 PolarHBondContact NE2-O 2.69Å
705	P	77.8	Confident	73.4	Confident	44 Å²	44	73.9 Å²	73.9	29%	0.286	39%	0.39	S	S	.	.			trans	-58.5	133.8	172.7	-16.2	28.6	0	0	0	110.1	V707 L721 L775	P705-V707 VanDerWaalsContact C-N 3.32Å; P705-V707 HydrophobicContact CB-CG1 4.4Å; P705-V707 PolarHBondContact O-N 2.86Å; P705-L721 HydrophobicContact CG-CD2 4.31Å; P705-L775 HydrophobicContact CB-CD1 4.44Å; P705-L775 HydrophobicContact CB-CD2 3.82Å; P705-L775 HydrophobicContact CG-CD1 3.96Å; P705-L775 HydrophobicContact CG-CD2 4.05Å
706	N	79.9	Confident	75.4	Confident	128 Å²	128	74.8 Å²	74.8	68%	0.684	38%	0.38	S	S	*	.			trans	-77.6	84.9	177.7	-179.2	25.8	0	0	0	110	Q704 Q708	Q704-N706 PolarHBondContact O-N 2.7Å; N706-Q708 PolarHBondContact OD1-NE2 3.25Å
707	V	82.8	Confident	77.4	Confident	36 Å²	36	70.2 Å²	70.2	22%	0.218	35%	0.35	C	S	.	.			trans	-87.3	126.8	175.4	-65.4	0	0	0	0	110.1	P705 F713 L717 F718 L721 L775	P705-V707 VanDerWaalsContact C-N 3.32Å; P705-V707 HydrophobicContact CB-CG1 4.4Å; P705-V707 PolarHBondContact O-N 2.86Å; V707-F713 HydrophobicContact CB-CD2 3.92Å; V707-F713 HydrophobicContact CB-CE2 3.94Å; V707-F713 HydrophobicContact CG1-CD2 3.87Å; V707-F713 HydrophobicContact CG1-CE2 3.75Å; V707-F713 HydrophobicContact CG1-CG 4.46Å; V707-F713 HydrophobicContact CG1-CZ 4.28Å; V707-L717 HydrophobicContact CG1-CD2 4.09Å; V707-F718 HydrophobicContact CG2-CE1 3.9Å; V707-L721 HydrophobicContact CG2-CD1 4.24Å; V707-L775 HydrophobicContact CG1-CD2 4.21Å
708	Q	86.1	Confident	79	Confident	64 Å²	64	65.1 Å²	65.1	30%	0.299	33%	0.328	S	S	.	.			trans	-107.6	146.1	173.7	-58.8	-76.4	-41	0	0	109.5	N706 F710 Q711	N706-Q708 PolarHBondContact OD1-NE2 3.25Å; Q708-F710 VanDerWaalsContact C-N 3.3Å; Q708-F710 HydrophobicContact CB-CD1 3.73Å; Q708-F710 HydrophobicContact CB-CE1 3.31Å; Q708-F710 HydrophobicContact CB-CE2 4.32Å; Q708-F710 HydrophobicContact CB-CG 4.39Å; Q708-F710 HydrophobicContact CB-CZ 3.64Å; Q708-F710 HydrophobicContact CG-CE1 3.71Å; Q708-F710 HydrophobicContact CG-CZ 3.85Å; Q708-F710 PolarHBondContact O-N 3.32Å; Q708-Q711 HydrophobicContact CB-CG 4.27Å; Q708-Q711 VanDerWaalsContact N-OE1 3.15Å; Q708-Q711 WeakPolarHBondContact O-CB 3.49Å; Q708-Q711 PolarHBondContact O-N 2.88Å
709	D	84.7	Confident	80.4	Confident	50 Å²	50	67.1 Å²	67.1	27%	0.267	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-57.2	-41	-178.7	58	-10.6	0	0	0	112.7	Q711 F712 L831 Q832	D709-Q711 PolarHBondContact O-N 3.09Å; D709-F712 PolarHBondContact O-N 2.93Å; D709-L831 HydrophobicContact CB-CD2 4.05Å; D709-Q832 PolarHBondContact OD2-N 2.92Å
710	F	88.4	Confident	81.7	Confident	8 Å²	8	64.4 Å²	64.4	4%	0.035	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-66.7	-5.5	178.1	67.5	-99.4	0	0	0	115	Q708 F712 W782 K784 F787 Y820 L831	Q708-F710 VanDerWaalsContact C-N 3.3Å; Q708-F710 HydrophobicContact CB-CD1 3.73Å; Q708-F710 HydrophobicContact CB-CE1 3.31Å; Q708-F710 HydrophobicContact CB-CE2 4.32Å; Q708-F710 HydrophobicContact CB-CG 4.39Å; Q708-F710 HydrophobicContact CB-CZ 3.64Å; Q708-F710 HydrophobicContact CG-CE1 3.71Å; Q708-F710 HydrophobicContact CG-CZ 3.85Å; Q708-F710 PolarHBondContact O-N 3.32Å; F710-F712 WeakPolarHBondContact O-CD2 3.33Å; F710-F712 WeakPolarHBondContact O-CE2 3.29Å; F710-W782 WeakPolarHBondContact CE2-O 3.5Å; F710-K784 HydrophobicContact CE1-CB 4.19Å; F710-K784 HydrophobicContact CE1-CG 4.37Å; F710-K784 HydrophobicContact CZ-CB 3.97Å; F710-F787 HydrophobicContact CB-CB 4.49Å; F710-F787 HydrophobicContact CB-CD1 4.18Å; F710-F787 HydrophobicContact CB-CD2 3.72Å; F710-F787 HydrophobicContact CB-CE1 4.33Å; F710-F787 HydrophobicContact CB-CE2 3.89Å; F710-F787 HydrophobicContact CB-CG 3.87Å; F710-F787 HydrophobicContact CB-CZ 4.19Å; F710-F787 HydrophobicContact CD1-CD1 4.25Å; F710-F787 HydrophobicContact CD1-CG 4.41Å; F710-F787 HydrophobicContact CD2-CB 3.92Å; F710-F787 HydrophobicContact CD2-CG 4.22Å; F710-F787 HydrophobicContact CE2-CB 4.33Å; F710-F787 HydrophobicContact CG-CB 4.1Å; F710-F787 HydrophobicContact CG-CD1 4.19Å; F710-F787 HydrophobicContact CG-CD2 4.24Å; F710-F787 AromaticContact CG-CG 3.92Å; F710-F787 HydrophobicContact CG-CG 3.92Å; F710-Y820 VanDerWaalsContact O-CE2 3.3Å; F710-Y820 WeakPolarHBondContact O-CE2 3.43Å; F710-Y820 PolarHBondContact O-OH 2.8Å; F710-L831 HydrophobicContact CB-CD2 3.96Å
711	Q	92.1	Very high	83.1	Confident	18 Å²	18	54.3 Å²	54.3	8%	0.084	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-90.4	-7.5	174.2	-61.8	179.3	-62.9	0	0	112.8	Q708 D709 F713 G778 F779 W782	Q708-Q711 HydrophobicContact CB-CG 4.27Å; Q708-Q711 VanDerWaalsContact N-OE1 3.15Å; Q708-Q711 WeakPolarHBondContact O-CB 3.49Å; Q708-Q711 PolarHBondContact O-N 2.88Å; D709-Q711 PolarHBondContact O-N 3.09Å; Q711-F713 HydrophobicContact CB-CD2 3.97Å; Q711-F713 HydrophobicContact CB-CE2 3.51Å; Q711-F713 HydrophobicContact CB-CZ 4.18Å; Q711-F713 HydrophobicContact CG-CE2 4.34Å; Q711-F713 PolarHBondContact O-N 2.95Å; Q711-G778 WeakPolarHBondContact O-CA 3.45Å; Q711-F779 PolarHBondContact NE2-O 3.26Å; Q711-F779 PolarHBondContact O-N 2.8Å; Q711-W782 PolarHBondContact NE2-O 2.94Å
712	F	91.5	Very high	84.1	Confident	5 Å²	5	56.7 Å²	56.7	2%	0.022	29%	0.289	C	S	.	.			trans	54.2	45.8	171.4	-59.6	-68.6	0	0	0	114.7	D709 F710 F779 Y820 V823 F824 R827 L831	D709-F712 PolarHBondContact O-N 2.93Å; F710-F712 WeakPolarHBondContact O-CD2 3.33Å; F710-F712 WeakPolarHBondContact O-CE2 3.29Å; F712-F779 HydrophobicContact CB-CD2 4.23Å; F712-F779 HydrophobicContact CB-CE2 4.42Å; F712-F779 HydrophobicContact CD2-CD2 4.05Å; F712-F779 HydrophobicContact CD2-CE2 4.19Å; F712-Y820 HydrophobicContact CD2-CE2 4.03Å; F712-Y820 AromaticContact CE2-CE2 3.95Å; F712-Y820 HydrophobicContact CE2-CE2 3.95Å; F712-Y820 AromaticContact CE2-CZ 3.82Å; F712-V823 HydrophobicContact CB-CG1 4.08Å; F712-V823 HydrophobicContact CD2-CG1 4.16Å; F712-V823 HydrophobicContact CG-CG1 4.04Å; F712-F824 HydrophobicContact CE2-CB 4.09Å; F712-F824 HydrophobicContact CE2-CD2 4.1Å; F712-F824 HydrophobicContact CZ-CB 4.24Å; F712-F824 AromaticContact CZ-CD2 3.82Å; F712-F824 HydrophobicContact CZ-CD2 3.82Å; F712-F824 HydrophobicContact CZ-CG 4.44Å; F712-R827 HydrophobicContact CD1-CB 3.75Å; F712-R827 HydrophobicContact CE1-CB 3.82Å; F712-R827 WeakPolarHBondContact CE1-O 3.44Å; F712-R827 PolarHBondContact O-NH1 3.34Å; F712-R827 PolarHBondContact O-NH2 3.15Å; F712-L831 HydrophobicContact CE1-CD2 4.33Å; F712-L831 HydrophobicContact CE1-CG 4.46Å; F712-L831 HydrophobicContact CZ-CD1 4.5Å; F712-L831 HydrophobicContact CZ-CD2 4.25Å; F712-L831 HydrophobicContact CZ-CG 4.47Å
713	F	90.9	Very high	85.3	Confident	9 Å²	9	56.2 Å²	56.2	4%	0.039	28%	0.277	C	S	.	.			trans	-62.2	153.4	171.6	-67.6	-78.9	0	0	0	111.7	V707 Q711 L717 F718 L775 T780 R827	V707-F713 HydrophobicContact CB-CD2 3.92Å; V707-F713 HydrophobicContact CB-CE2 3.94Å; V707-F713 HydrophobicContact CG1-CD2 3.87Å; V707-F713 HydrophobicContact CG1-CE2 3.75Å; V707-F713 HydrophobicContact CG1-CG 4.46Å; V707-F713 HydrophobicContact CG1-CZ 4.28Å; Q711-F713 HydrophobicContact CB-CD2 3.97Å; Q711-F713 HydrophobicContact CB-CE2 3.51Å; Q711-F713 HydrophobicContact CB-CZ 4.18Å; Q711-F713 HydrophobicContact CG-CE2 4.34Å; Q711-F713 PolarHBondContact O-N 2.95Å; F713-L717 HydrophobicContact CB-CD2 3.69Å; F713-L717 HydrophobicContact CD1-CD2 3.73Å; F713-L717 HydrophobicContact CD2-CD2 4.49Å; F713-L717 HydrophobicContact CG-CD2 3.71Å; F713-F718 HydrophobicContact CB-CE2 4.22Å; F713-F718 HydrophobicContact CB-CZ 4.38Å; F713-L775 WeakPolarHBondContact CE1-O 3.43Å; F713-T780 HydrophobicContact CE1-CG2 3.98Å; F713-T780 HydrophobicContact CZ-CG2 3.97Å; F713-R827 PolarHBondContact O-NH2 3.19Å
714	P	89	Confident	86.2	Confident	24 Å²	24	49 Å²	49	16%	0.156	25%	0.247	C	C	.	.			trans	-62	143.8	176.1	-23.2	34.6	0	0	0	112.3	R716 L717 L774 Q777	P714-R716 PolarHBondContact O-N 3.12Å; P714-R716 VanDerWaalsContact O-N 3.14Å; P714-L717 WeakPolarHBondContact O-CB 3.45Å; P714-L717 PolarHBondContact O-N 2.99Å; P714-L774 HydrophobicContact CB-CD2 4.02Å; P714-L774 HydrophobicContact CG-CD2 3.88Å; P714-Q777 HydrophobicContact CG-CB 4.06Å
715	P	85.6	Confident	86.7	Confident	84 Å²	84	47 Å²	47	55%	0.545	24%	0.238	S	C	.	.	H	α-helix	trans	-52.4	-36.6	177.6	-29	35.9	0	0	0	113.8	L717 F718 E719	P715-L717 PolarHBondContact O-N 2.93Å; P715-F718 WeakPolarHBondContact O-CB 3.3Å; P715-F718 PolarHBondContact O-N 2.89Å; P715-E719 PolarHBondContact O-N 2.95Å
716	R	89.8	Confident	87.1	Confident	83 Å²	83	46.6 Å²	46.6	31%	0.313	23%	0.231	S	C	.	.	H	α-helix	trans	-55.5	-32.7	177.7	-176.4	57.6	177.1	168.9	4.9	113.6	P714 F718 E719 L720 E770 L774	P714-R716 PolarHBondContact O-N 3.12Å; P714-R716 VanDerWaalsContact O-N 3.14Å; R716-F718 VanDerWaalsContact C-N 3.3Å; R716-F718 PolarHBondContact O-N 2.97Å; R716-E719 WeakPolarHBondContact CD-OE2 3.38Å; R716-E719 IonicContact CZ-OE2 3.97Å; R716-E719 IonicContact NE-OE2 3.64Å; R716-E719 IonicContact NH1-OE2 2.8Å; R716-E719 PolarHBondContact NH1-OE2 2.87Å; R716-E719 WeakPolarHBondContact O-CB 3.34Å; R716-E719 PolarHBondContact O-N 3.01Å; R716-L720 PolarHBondContact O-N 2.78Å; R716-E770 VanDerWaalsContact CG-OE1 3.26Å; R716-E770 WeakPolarHBondContact CG-OE1 3.34Å; R716-E770 IonicContact CZ-OE1 3.61Å; R716-E770 IonicContact CZ-OE2 2.79Å; R716-E770 IonicContact NE-OE1 3.62Å; R716-E770 PolarHBondContact NE-OE1 2.93Å; R716-E770 IonicContact NE-OE2 3.57Å; R716-E770 IonicContact NH2-OE1 2.88Å; R716-E770 IonicContact NH2-OE2 3.4Å; R716-E770 PolarHBondContact NH2-OE2 3.15Å; R716-L774 HydrophobicContact CB-CD1 4.01Å; R716-L774 HydrophobicContact CG-CD1 3.69Å
717	L	89.6	Confident	87.3	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.4	-40.3	176.5	178.6	63.7	0	0	0	111.4	V707 F713 P714 P715 E719 L720 L721 K771 L774 L775	V707-L717 HydrophobicContact CG1-CD2 4.09Å; F713-L717 HydrophobicContact CB-CD2 3.69Å; F713-L717 HydrophobicContact CD1-CD2 3.73Å; F713-L717 HydrophobicContact CD2-CD2 4.49Å; F713-L717 HydrophobicContact CG-CD2 3.71Å; P714-L717 WeakPolarHBondContact O-CB 3.45Å; P714-L717 PolarHBondContact O-N 2.99Å; P715-L717 PolarHBondContact O-N 2.93Å; L717-E719 VanDerWaalsContact C-N 3.33Å; L717-L720 PolarHBondContact O-N 3.04Å; L717-L721 HydrophobicContact CD1-CD1 4.49Å; L717-L721 HydrophobicContact CD1-CG 4.45Å; L717-L721 HydrophobicContact CG-CD1 4.09Å; L717-L721 HydrophobicContact CG-CG 4.46Å; L717-L721 VanDerWaalsContact O-CG 3.31Å; L717-L721 WeakPolarHBondContact O-CG 3.49Å; L717-L721 PolarHBondContact O-N 2.95Å; L717-K771 HydrophobicContact CD1-CG 4.05Å; L717-L774 HydrophobicContact CB-CB 4.15Å; L717-L774 HydrophobicContact CB-CD1 4.41Å; L717-L774 HydrophobicContact CD1-CB 4.08Å; L717-L775 HydrophobicContact CD1-CD2 4.1Å; L717-L775 HydrophobicContact CD1-CG 3.93Å; L717-L775 HydrophobicContact CD2-CD2 3.8Å; L717-L775 HydrophobicContact CD2-CG 4.35Å
718	F	88	Confident	87.3	Confident	83 Å²	83	42.2 Å²	42.2	36%	0.364	21%	0.206	S	C	.	.	H	α-helix	trans	-68.8	-34.8	-179.6	-60.3	-82.8	0	0	0	111.4	V707 F713 P715 R716 L720 L721 D722	V707-F718 HydrophobicContact CG2-CE1 3.9Å; F713-F718 HydrophobicContact CB-CE2 4.22Å; F713-F718 HydrophobicContact CB-CZ 4.38Å; P715-F718 WeakPolarHBondContact O-CB 3.3Å; P715-F718 PolarHBondContact O-N 2.89Å; R716-F718 VanDerWaalsContact C-N 3.3Å; R716-F718 PolarHBondContact O-N 2.97Å; F718-L720 PolarHBondContact O-N 2.87Å; F718-L721 PolarHBondContact O-N 3.27Å; F718-D722 WeakPolarHBondContact O-CB 3.32Å; F718-D722 PolarHBondContact O-N 2.78Å
719	E	87.6	Confident	87.2	Confident	94 Å²	94	40.6 Å²	40.6	44%	0.439	20%	0.198	S	C	.	.	H	α-helix	trans	-60.4	-44.1	172.8	-61.2	175.5	-176.6	0	0	111.8	P715 R716 L717 D722 K723	P715-E719 PolarHBondContact O-N 2.95Å; R716-E719 WeakPolarHBondContact CD-OE2 3.38Å; R716-E719 IonicContact CZ-OE2 3.97Å; R716-E719 IonicContact NE-OE2 3.64Å; R716-E719 IonicContact NH1-OE2 2.8Å; R716-E719 PolarHBondContact NH1-OE2 2.87Å; R716-E719 WeakPolarHBondContact O-CB 3.34Å; R716-E719 PolarHBondContact O-N 3.01Å; L717-E719 VanDerWaalsContact C-N 3.33Å; E719-D722 PolarHBondContact O-N 3.1Å; E719-K723 WeakPolarHBondContact O-CG 3.35Å; E719-K723 PolarHBondContact O-N 3.46Å
720	L	88.5	Confident	87.1	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-68.1	-39.6	177.8	-63	177.6	0	0	0	111.9	R716 L717 F718 K723 E724 L763 E767 E770 K771 L774	R716-L720 PolarHBondContact O-N 2.78Å; L717-L720 PolarHBondContact O-N 3.04Å; F718-L720 PolarHBondContact O-N 2.87Å; L720-K723 PolarHBondContact O-N 2.9Å; L720-E724 PolarHBondContact O-N 3.41Å; L720-L763 HydrophobicContact CB-CD2 4.43Å; L720-L763 HydrophobicContact CD2-CD2 3.92Å; L720-E767 HydrophobicContact CD2-CB 4.07Å; L720-E767 HydrophobicContact CD2-CG 4.17Å; L720-E770 HydrophobicContact CD1-CB 4.25Å; L720-E770 HydrophobicContact CD1-CG 4.19Å; L720-K771 HydrophobicContact CD1-CB 3.88Å; L720-L774 HydrophobicContact CD1-CD1 3.89Å
721	L	87.4	Confident	86.9	Confident	8 Å²	8	46 Å²	46	4%	0.042	23%	0.23	C	C	.	.	H	α-helix	trans	-64.9	-39.1	174.3	-70.3	173.2	0	0	0	111.8	Q704 P705 V707 L717 F718 E724 I725	Q704-L721 PolarHBondContact NE2-O 2.69Å; P705-L721 HydrophobicContact CG-CD2 4.31Å; V707-L721 HydrophobicContact CG2-CD1 4.24Å; L717-L721 HydrophobicContact CD1-CD1 4.49Å; L717-L721 HydrophobicContact CD1-CG 4.45Å; L717-L721 HydrophobicContact CG-CD1 4.09Å; L717-L721 HydrophobicContact CG-CG 4.46Å; L717-L721 VanDerWaalsContact O-CG 3.31Å; L717-L721 WeakPolarHBondContact O-CG 3.49Å; L717-L721 PolarHBondContact O-N 2.95Å; F718-L721 PolarHBondContact O-N 3.27Å; L721-E724 PolarHBondContact O-N 3.16Å; L721-I725 WeakPolarHBondContact O-CD1 3.18Å; L721-I725 WeakPolarHBondContact O-CG1 3.47Å; L721-I725 PolarHBondContact O-N 3.47Å
722	D	84.9	Confident	86.5	Confident	77 Å²	77	48.6 Å²	48.6	41%	0.412	24%	0.243	S	C	.	.	H	α-helix	trans	-67	-44.2	176.3	-81.4	-11.4	0	0	0	111.3	F718 E719 E724 I725 Y726	F718-D722 WeakPolarHBondContact O-CB 3.32Å; F718-D722 PolarHBondContact O-N 2.78Å; E719-D722 PolarHBondContact O-N 3.1Å; D722-E724 VanDerWaalsContact C-N 3.29Å; D722-E724 PolarHBondContact O-N 2.54Å; D722-I725 WeakPolarHBondContact O-CB 3.44Å; D722-I725 PolarHBondContact O-N 3.27Å; D722-I725 VanDerWaalsContact O-N 3.1Å; D722-Y726 HydrophobicContact CB-CD2 4.32Å; D722-Y726 HydrophobicContact CB-CE2 3.96Å; D722-Y726 WeakPolarHBondContact O-CD2 3.03Å; D722-Y726 PolarHBondContact O-N 3.28Å
723	K	85.9	Confident	86	Confident	84 Å²	84	55 Å²	55	37%	0.365	28%	0.278	S	S	.	.	H	α-helix	trans	-53.9	-46.6	172	-79.8	-172.9	177.7	-165.1	0	111.6	E719 L720 I725 Y726 A727 L763 E767	E719-K723 WeakPolarHBondContact O-CG 3.35Å; E719-K723 PolarHBondContact O-N 3.46Å; L720-K723 PolarHBondContact O-N 2.9Å; K723-I725 PolarHBondContact O-N 2.93Å; K723-Y726 PolarHBondContact O-N 3Å; K723-A727 WeakPolarHBondContact O-CB 3.31Å; K723-A727 PolarHBondContact O-N 3.2Å; K723-L763 HydrophobicContact CB-CD2 3.82Å; K723-L763 HydrophobicContact CD-CD2 3.96Å; K723-E767 IonicContact NZ-OE1 3.87Å; K723-E767 PolarHBondContact NZ-OE1 3.26Å; K723-E767 IonicContact NZ-OE2 3.59Å
724	E	84.6	Confident	85.5	Confident	65 Å²	65	56.3 Å²	56.3	30%	0.304	28%	0.283	S	S	.	.	H	α-helix	trans	-62.6	-39.9	177	-172.7	-179.4	-136.7	0	0	112.2	L720 L721 D722 F728 L763 K771	L720-E724 PolarHBondContact O-N 3.41Å; L721-E724 PolarHBondContact O-N 3.16Å; D722-E724 VanDerWaalsContact C-N 3.29Å; D722-E724 PolarHBondContact O-N 2.54Å; E724-F728 WeakPolarHBondContact O-CB 3.48Å; E724-F728 PolarHBondContact O-N 3.02Å; E724-L763 HydrophobicContact CB-CD1 4.14Å; E724-K771 IonicContact OE1-NZ 2.86Å; E724-K771 PolarHBondContact OE1-NZ 3.06Å; E724-K771 IonicContact OE2-NZ 3.49Å; E724-K771 PolarHBondContact OE2-NZ 3.17Å
725	I	84.9	Confident	85.1	Confident	24 Å²	24	63.1 Å²	63.1	12%	0.123	31%	0.31	C	S	.	.	H	α-helix	trans	-62.6	-48.3	174.6	-68.5	161.9	0	0	0	110.7	P701 L721 D722 K723 F728 R729	P701-I725 HydrophobicContact CG-CB 4.26Å; P701-I725 HydrophobicContact CG-CG1 3.67Å; P701-I725 HydrophobicContact CG-CG2 4.31Å; L721-I725 WeakPolarHBondContact O-CD1 3.18Å; L721-I725 WeakPolarHBondContact O-CG1 3.47Å; L721-I725 PolarHBondContact O-N 3.47Å; D722-I725 WeakPolarHBondContact O-CB 3.44Å; D722-I725 PolarHBondContact O-N 3.27Å; D722-I725 VanDerWaalsContact O-N 3.1Å; K723-I725 PolarHBondContact O-N 2.93Å; I725-F728 PolarHBondContact O-N 2.99Å; I725-R729 HydrophobicContact CG2-CG 4.33Å; I725-R729 WeakPolarHBondContact O-CB 3.35Å; I725-R729 VanDerWaalsContact O-CG 3.3Å; I725-R729 WeakPolarHBondContact O-CG 3.34Å; I725-R729 PolarHBondContact O-N 3.49Å
726	Y	86.3	Confident	84.8	Confident	34 Å²	34	60.1 Å²	60.1	13%	0.133	29%	0.29	C	S	.	.	H	α-helix	trans	-67.6	-41.3	-177.5	-66	-56.2	0	0	0	111.5	D722 K723 F728 R729 K730 E753 R756 I757 A760	D722-Y726 HydrophobicContact CB-CD2 4.32Å; D722-Y726 HydrophobicContact CB-CE2 3.96Å; D722-Y726 WeakPolarHBondContact O-CD2 3.03Å; D722-Y726 PolarHBondContact O-N 3.28Å; K723-Y726 PolarHBondContact O-N 3Å; Y726-F728 VanDerWaalsContact C-N 3.3Å; Y726-F728 PolarHBondContact O-N 3.45Å; Y726-R729 PolarHBondContact O-N 3.17Å; Y726-R729 VanDerWaalsContact O-N 3.15Å; Y726-K730 WeakPolarHBondContact O-CB 3.26Å; Y726-K730 PolarHBondContact O-N 3.42Å; Y726-E753 HydrophobicContact CE1-CG 4.39Å; Y726-R756 HydrophobicContact CD1-CB 4.43Å; Y726-R756 HydrophobicContact CE1-CB 4.24Å; Y726-R756 HydrophobicContact CE2-CB 4.4Å; Y726-I757 HydrophobicContact CD1-CG1 3.66Å; Y726-I757 HydrophobicContact CE1-CG1 4.29Å; Y726-A760 VanDerWaalsContact C-CB 3.47Å
727	A	84.3	Confident	84	Confident	18 Å²	18	58.8 Å²	58.8	15%	0.149	29%	0.292	C	S	.	.	H	α-helix	trans	-60.8	-39.9	174.2	0	0	0	0	0	111.8	K723 K730 S731 A760	K723-A727 WeakPolarHBondContact O-CB 3.31Å; K723-A727 PolarHBondContact O-N 3.2Å; A727-K730 PolarHBondContact O-N 3.05Å; A727-S731 PolarHBondContact O-N 3.42Å; A727-A760 HydrophobicContact CB-CB 4.46Å
728	F	83.6	Confident	82.8	Confident	55 Å²	55	66.6 Å²	66.6	24%	0.241	32%	0.322	C	S	.	.	H	α-helix	trans	-66.5	-42.6	172.9	177.8	-98.8	0	0	0	112.5	P701 P702 E724 I725 Y726 K730 S731 I732	P701-F728 HydrophobicContact CB-CB 4.2Å; P701-F728 HydrophobicContact CB-CD1 3.75Å; P701-F728 HydrophobicContact CB-CE1 4.29Å; P701-F728 HydrophobicContact CB-CG 3.91Å; P701-F728 HydrophobicContact CG-CD1 4.29Å; P702-F728 HydrophobicContact CG-CD2 4.35Å; P702-F728 HydrophobicContact CG-CE2 4.2Å; E724-F728 WeakPolarHBondContact O-CB 3.48Å; E724-F728 PolarHBondContact O-N 3.02Å; I725-F728 PolarHBondContact O-N 2.99Å; Y726-F728 VanDerWaalsContact C-N 3.3Å; Y726-F728 PolarHBondContact O-N 3.45Å; F728-K730 VanDerWaalsContact C-N 3.28Å; F728-K730 PolarHBondContact O-N 3.33Å; F728-S731 PolarHBondContact O-N 3.46Å; F728-S731 PolarHBondContact O-OG 2.93Å; F728-I732 HydrophobicContact CD1-CD1 4.42Å; F728-I732 HydrophobicContact CE1-CD1 3.91Å; F728-I732 HydrophobicContact CE1-CG2 4.31Å; F728-I732 HydrophobicContact CE2-CG2 4.19Å; F728-I732 HydrophobicContact CZ-CD1 4.5Å; F728-I732 HydrophobicContact CZ-CG2 3.96Å; F728-I732 WeakPolarHBondContact O-CG1 3.4Å; F728-I732 PolarHBondContact O-N 3Å
729	R	83.7	Confident	81.6	Confident	30 Å²	30	65.9 Å²	65.9	11%	0.113	32%	0.321	C	S	.	.	H	α-helix	trans	-61.9	-38.2	176.6	-76.1	175.7	-177.4	-173.8	6.2	111.7	I725 Y726 I732 N733 Y734 E753 I757	I725-R729 HydrophobicContact CG2-CG 4.33Å; I725-R729 WeakPolarHBondContact O-CB 3.35Å; I725-R729 VanDerWaalsContact O-CG 3.3Å; I725-R729 WeakPolarHBondContact O-CG 3.34Å; I725-R729 PolarHBondContact O-N 3.49Å; Y726-R729 PolarHBondContact O-N 3.17Å; Y726-R729 VanDerWaalsContact O-N 3.15Å; R729-I732 VanDerWaalsContact O-CG1 3.29Å; R729-I732 WeakPolarHBondContact O-CG1 3.34Å; R729-I732 PolarHBondContact O-N 2.91Å; R729-N733 PolarHBondContact O-N 3.48Å; R729-Y734 HydrophobicContact CB-CD1 4.34Å; R729-Y734 HydrophobicContact CG-CD1 4.18Å; R729-Y734 WeakPolarHBondContact O-CB 3.41Å; R729-Y734 PolarHBondContact O-N 3.38Å; R729-E753 IonicContact NH1-OE1 3.96Å; R729-E753 PolarHBondContact NH1-OE1 3.4Å; R729-I757 HydrophobicContact CB-CD1 4.42Å; R729-I757 HydrophobicContact CB-CG1 4.18Å; R729-I757 HydrophobicContact CB-CG2 4.01Å
730	K	83.4	Confident	80.5	Confident	83 Å²	83	66.2 Å²	66.2	36%	0.361	33%	0.332	S	S	.	.	H	α-helix	trans	-63.3	-45	173.5	-171.4	179.5	179.5	166.8	0	111.2	Y726 A727 F728 I732 N733 I757 D758 A760	Y726-K730 WeakPolarHBondContact O-CB 3.26Å; Y726-K730 PolarHBondContact O-N 3.42Å; A727-K730 PolarHBondContact O-N 3.05Å; F728-K730 VanDerWaalsContact C-N 3.28Å; F728-K730 PolarHBondContact O-N 3.33Å; K730-I732 PolarHBondContact O-N 2.84Å; K730-N733 PolarHBondContact O-N 2.87Å; K730-I757 HydrophobicContact CB-CG2 4.08Å; K730-I757 WeakPolarHBondContact CB-O 3.43Å; K730-I757 WeakPolarHBondContact CD-O 3.35Å; K730-D758 WeakPolarHBondContact CE-O 3.35Å; K730-D758 PolarHBondContact NZ-O 3.31Å; K730-A760 HydrophobicContact CD-CB 4.49Å; K730-A760 WeakPolarHBondContact CD-O 3.34Å; K730-A760 PolarHBondContact NZ-O 3.37Å
731	S	82.6	Confident	79.3	Confident	88 Å²	88	71.3 Å²	71.3	62%	0.615	36%	0.359	S	S	*	.	H	α-helix	trans	-65.1	-25.9	-179.2	76.1	0	0	0	0	113.9	A727 F728	A727-S731 PolarHBondContact O-N 3.42Å; F728-S731 PolarHBondContact O-N 3.46Å; F728-S731 PolarHBondContact O-OG 2.93Å
732	I	84.6	Confident	77.9	Confident	72 Å²	72	73.8 Å²	73.8	37%	0.369	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	8.7	173.6	68.2	172.4	0	0	0	113.7	P699 F728 R729 K730 Y734	P699-I732 HydrophobicContact CB-CD1 3.73Å; P699-I732 HydrophobicContact CG-CD1 3.79Å; F728-I732 HydrophobicContact CD1-CD1 4.42Å; F728-I732 HydrophobicContact CE1-CD1 3.91Å; F728-I732 HydrophobicContact CE1-CG2 4.31Å; F728-I732 HydrophobicContact CE2-CG2 4.19Å; F728-I732 HydrophobicContact CZ-CD1 4.5Å; F728-I732 HydrophobicContact CZ-CG2 3.96Å; F728-I732 WeakPolarHBondContact O-CG1 3.4Å; F728-I732 PolarHBondContact O-N 3Å; R729-I732 VanDerWaalsContact O-CG1 3.29Å; R729-I732 WeakPolarHBondContact O-CG1 3.34Å; R729-I732 PolarHBondContact O-N 2.91Å; K730-I732 PolarHBondContact O-N 2.84Å; I732-Y734 VanDerWaalsContact C-N 3.25Å; I732-Y734 PolarHBondContact O-N 3Å
733	N	81.3	Confident	77.2	Confident	141 Å²	141	72.4 Å²	72.4	75%	0.754	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	40.1	-176.3	-68.2	-41.1	0	0	0	113.6	R729 K730	R729-N733 PolarHBondContact O-N 3.48Å; K730-N733 PolarHBondContact O-N 2.87Å
734	Y	80.8	Confident	76.3	Confident	36 Å²	36	73.7 Å²	73.7	14%	0.141	40%	0.395	C	S	.	.			trans	-70	133.8	179.1	177.7	-102.9	0	0	0	111.4	P698 P699 R729 I732 V736 P737 I757	P698-Y734 HydrophobicContact CB-CE1 4.17Å; P698-Y734 HydrophobicContact CB-CE2 4.34Å; P698-Y734 WeakPolarHBondContact CB-OH 3.42Å; P699-Y734 VanDerWaalsContact CD-CD2 3.45Å; P699-Y734 HydrophobicContact CG-CD2 3.89Å; P699-Y734 HydrophobicContact CG-CE2 4.21Å; R729-Y734 HydrophobicContact CB-CD1 4.34Å; R729-Y734 HydrophobicContact CG-CD1 4.18Å; R729-Y734 WeakPolarHBondContact O-CB 3.41Å; R729-Y734 PolarHBondContact O-N 3.38Å; I732-Y734 VanDerWaalsContact C-N 3.25Å; I732-Y734 PolarHBondContact O-N 3Å; Y734-V736 HydrophobicContact CE1-CG2 4.35Å; Y734-P737 VanDerWaalsContact OH-CD 3.22Å; Y734-P737 WeakPolarHBondContact OH-CD 3.34Å; Y734-I757 HydrophobicContact CD1-CD1 3.93Å; Y734-I757 HydrophobicContact CE1-CD1 4.39Å
735	K	80.1	Confident	75.5	Confident	167 Å²	167	75.4 Å²	75.4	73%	0.726	41%	0.406	S	S	*	.			trans	-113.7	132.3	174.6	-66.2	-170.1	176.3	-173.1	0	111.1	P737 Q754	K735-P737 VanDerWaalsContact O-CD 3.3Å; K735-P737 WeakPolarHBondContact O-CD 3.49Å; K735-Q754 VanDerWaalsContact CA-OE1 3.26Å
736	V	78.2	Confident	74.7	Confident	20 Å²	20	74.6 Å²	74.6	12%	0.121	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-67.6	117.8	-178.2	-174.4	0	0	0	0	109.8	Y734 R750 E753 Q754 I757	Y734-V736 HydrophobicContact CE1-CG2 4.35Å; V736-R750 HydrophobicContact CB-CG 4.16Å; V736-R750 HydrophobicContact CG1-CG 4.09Å; V736-E753 HydrophobicContact CG1-CB 4.47Å; V736-E753 HydrophobicContact CG2-CB 4.1Å; V736-E753 HydrophobicContact CG2-CG 3.95Å; V736-Q754 HydrophobicContact CG2-CB 4.38Å; V736-I757 HydrophobicContact CG2-CD1 3.52Å
737	P	73.4	Confident	74.1	Confident	56 Å²	56	76.3 Å²	76.3	36%	0.364	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-62.7	143.4	178.2	-20.1	31.2	0	0	0	111.6	P696 Y734 K735 N739	P696-P737 HydrophobicContact CG-CG 4.27Å; Y734-P737 VanDerWaalsContact OH-CD 3.22Å; Y734-P737 WeakPolarHBondContact OH-CD 3.34Å; K735-P737 VanDerWaalsContact O-CD 3.3Å; K735-P737 WeakPolarHBondContact O-CD 3.49Å; P737-N739 PolarHBondContact O-N 3.18Å
738	R	64.8	Low	73.6	Confident	164 Å²	164	82.8 Å²	82.8	62%	0.619	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-68.9	124.6	172.2	-174.4	179.4	-175	165.7	3.7	109.4	P740 E747	R738-P740 WeakPolarHBondContact O-CD 3.41Å; R738-E747 IonicContact CZ-OE1 2.66Å; R738-E747 IonicContact NE-OE1 3.15Å; R738-E747 IonicContact NH1-OE1 2.63Å; R738-E747 IonicContact NH2-OE1 3.72Å
739	N	63.1	Low	73.2	Confident	67 Å²	67	84.4 Å²	84.4	36%	0.358	45%	0.445	S	S	.	.			trans	-84.5	113.7	171	-169	-3.8	0	0	0	109.2	P737 D741	P737-N739 PolarHBondContact O-N 3.18Å; N739-D741 VanDerWaalsContact C-N 3.26Å; N739-D741 PolarHBondContact O-N 3.42Å; N739-D741 PolarHBondContact OD1-N 2.99Å
740	P	63.3	Low	73	Confident	101 Å²	101	85.7 Å²	85.7	66%	0.656	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-19.8	-177.8	26.6	-32.3	0	0	0	113.7	R738	R738-P740 WeakPolarHBondContact O-CD 3.41Å
741	D	63.4	Low	72.8	Confident	108 Å²	108	86.9 Å²	86.9	58%	0.578	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-14.6	-170.3	-59.9	-17.3	0	0	0	114	N739	N739-D741 VanDerWaalsContact C-N 3.26Å; N739-D741 PolarHBondContact O-N 3.42Å; N739-D741 PolarHBondContact OD1-N 2.99Å
742	V	58.9	Low	72.8	Confident	59 Å²	59	87.3 Å²	87.3	36%	0.358	45%	0.452	S	S	.	.	S	Bend	trans	-109.8	123	-176.4	-164.8	0	0	0	0	106.7	D745	V742-D745 HydrophobicContact CG1-CB 4.49Å
743	G	69.1	Low	72.6	Confident	48 Å²	48	86.8 Å²	86.8	50%	0.495	45%	0.448	S	S	.	.			trans	-63.2	-140.8	-174	0	0	0	0	0	114.3	D745 G746	G743-D745 PolarHBondContact O-N 3.11Å; G743-G746 PolarHBondContact O-N 2.97Å
744	P	67.2	Low	72.7	Confident	112 Å²	112	81.7 Å²	81.7	73%	0.727	42%	0.419	S	S	*	.	H	α-helix	trans	-53.2	-31.4	-178.1	-25	33	0	0	0	114.1	G746 E747	P744-G746 VanDerWaalsContact C-N 3.31Å; P744-G746 PolarHBondContact O-N 3.4Å; P744-E747 PolarHBondContact O-N 2.93Å
745	D	67.5	Low	73	Confident	100 Å²	100	81.7 Å²	81.7	54%	0.535	43%	0.427	S	S	.	.	H	α-helix	trans	-65	-32.7	177.2	-57	-36.4	0	0	0	112.4	V742 G743 E747 R748 D749	V742-D745 HydrophobicContact CG1-CB 4.49Å; G743-D745 PolarHBondContact O-N 3.11Å; D745-E747 VanDerWaalsContact C-N 3.32Å; D745-E747 PolarHBondContact O-N 2.7Å; D745-R748 WeakPolarHBondContact O-CB 3.35Å; D745-R748 PolarHBondContact O-N 3.27Å; D745-R748 VanDerWaalsContact O-N 3.15Å; D745-D749 PolarHBondContact O-N 2.98Å
746	G	68.3	Low	73.2	Confident	7 Å²	7	79.7 Å²	79.7	7%	0.072	42%	0.415	C	S	.	.	H	α-helix	trans	-68.7	-27.3	-179.1	0	0	0	0	0	114.1	G743 P744 R750	G743-G746 PolarHBondContact O-N 2.97Å; P744-G746 VanDerWaalsContact C-N 3.31Å; P744-G746 PolarHBondContact O-N 3.4Å; G746-R750 WeakPolarHBondContact O-CB 3.24Å; G746-R750 PolarHBondContact O-N 3.4Å
747	E	73.8	Confident	73.4	Confident	70 Å²	70	78.8 Å²	78.8	33%	0.327	41%	0.409	S	S	.	.	H	α-helix	trans	-74.1	-38.5	171.6	-74.7	-145.1	121.7	0	0	112	R738 P744 D745 R750 L751	R738-E747 IonicContact CZ-OE1 2.66Å; R738-E747 IonicContact NE-OE1 3.15Å; R738-E747 IonicContact NH1-OE1 2.63Å; R738-E747 IonicContact NH2-OE1 3.72Å; P744-E747 PolarHBondContact O-N 2.93Å; D745-E747 VanDerWaalsContact C-N 3.32Å; D745-E747 PolarHBondContact O-N 2.7Å; E747-R750 PolarHBondContact O-N 3.45Å; E747-R750 IonicContact OE1-CZ 3.02Å; E747-R750 IonicContact OE1-NH1 2.55Å; E747-R750 PolarHBondContact OE1-NH1 2.92Å; E747-R750 IonicContact OE1-NH2 2.69Å; E747-R750 PolarHBondContact OE1-NH2 2.98Å; E747-L751 WeakPolarHBondContact O-CB 3.3Å; E747-L751 WeakPolarHBondContact O-CD1 3.33Å; E747-L751 PolarHBondContact O-N 3.04Å
748	R	74.7	Confident	73.9	Confident	155 Å²	155	80.5 Å²	80.5	59%	0.585	42%	0.415	S	S	*	.	H	α-helix	trans	-61.7	-48.9	175.7	-65.1	178.8	64	176.1	0.1	110.4	D745 R750 L751 E752	D745-R748 WeakPolarHBondContact O-CB 3.35Å; D745-R748 PolarHBondContact O-N 3.27Å; D745-R748 VanDerWaalsContact O-N 3.15Å; R748-R750 VanDerWaalsContact C-N 3.31Å; R748-R750 PolarHBondContact O-N 3.08Å; R748-L751 WeakPolarHBondContact O-CB 3.24Å; R748-L751 PolarHBondContact O-N 3.48Å; R748-L751 VanDerWaalsContact O-N 3.12Å; R748-E752 WeakPolarHBondContact O-CG 3.42Å; R748-E752 PolarHBondContact O-N 2.94Å
749	D	75.2	Confident	74.9	Confident	88 Å²	88	79.9 Å²	79.9	47%	0.471	42%	0.42	S	S	.	.	H	α-helix	trans	-58.1	-42.8	177.4	-65.8	-19.4	0	0	0	112	D745 E752 E753	D745-D749 PolarHBondContact O-N 2.98Å; D749-E752 PolarHBondContact O-N 3.39Å; D749-E753 WeakPolarHBondContact O-CB 3.33Å; D749-E753 PolarHBondContact O-N 3.47Å
750	R	78.6	Confident	75.9	Confident	58 Å²	58	77.3 Å²	77.3	22%	0.219	41%	0.407	C	S	.	.	H	α-helix	trans	-62.5	-44.9	176.6	-177.2	-160.2	65.1	-148.8	-7.5	111.6	V736 G746 E747 R748 Q754	V736-R750 HydrophobicContact CB-CG 4.16Å; V736-R750 HydrophobicContact CG1-CG 4.09Å; G746-R750 WeakPolarHBondContact O-CB 3.24Å; G746-R750 PolarHBondContact O-N 3.4Å; E747-R750 PolarHBondContact O-N 3.45Å; E747-R750 IonicContact OE1-CZ 3.02Å; E747-R750 IonicContact OE1-NH1 2.55Å; E747-R750 PolarHBondContact OE1-NH1 2.92Å; E747-R750 IonicContact OE1-NH2 2.69Å; E747-R750 PolarHBondContact OE1-NH2 2.98Å; R748-R750 VanDerWaalsContact C-N 3.31Å; R748-R750 PolarHBondContact O-N 3.08Å; R750-Q754 VanDerWaalsContact O-CB 3.29Å; R750-Q754 WeakPolarHBondContact O-CB 3.02Å; R750-Q754 PolarHBondContact O-N 3.44Å
751	L	80.7	Confident	77	Confident	107 Å²	107	79.5 Å²	79.5	56%	0.56	41%	0.409	S	S	*	.	H	α-helix	trans	-64	-42.9	178	-88	146.8	0	0	0	111.2	E747 R748 Q754 A755	E747-L751 WeakPolarHBondContact O-CB 3.3Å; E747-L751 WeakPolarHBondContact O-CD1 3.33Å; E747-L751 PolarHBondContact O-N 3.04Å; R748-L751 WeakPolarHBondContact O-CB 3.24Å; R748-L751 PolarHBondContact O-N 3.48Å; R748-L751 VanDerWaalsContact O-N 3.12Å; L751-Q754 PolarHBondContact O-N 2.72Å; L751-A755 WeakPolarHBondContact O-CB 3.08Å; L751-A755 PolarHBondContact O-N 3.46Å
752	E	82.2	Confident	78	Confident	97 Å²	97	79.5 Å²	79.5	45%	0.453	42%	0.415	S	S	.	.	H	α-helix	trans	-67.8	-39.1	178	-71.9	175.7	-165.6	0	0	112.5	R748 D749 R756	R748-E752 WeakPolarHBondContact O-CG 3.42Å; R748-E752 PolarHBondContact O-N 2.94Å; D749-E752 PolarHBondContact O-N 3.39Å; E752-R756 WeakPolarHBondContact O-CG 3.46Å; E752-R756 PolarHBondContact O-N 2.94Å; E752-R756 VanDerWaalsContact O-N 3.12Å; E752-R756 PolarHBondContact O-NE 2.72Å
753	E	80.9	Confident	79.2	Confident	61 Å²	61	77.9 Å²	77.9	29%	0.285	40%	0.404	S	S	.	.	H	α-helix	trans	-72	-35.2	174.8	-166.1	172.2	173.8	0	0	112.1	Y726 R729 V736 D749 R756 I757	Y726-E753 HydrophobicContact CE1-CG 4.39Å; R729-E753 IonicContact NH1-OE1 3.96Å; R729-E753 PolarHBondContact NH1-OE1 3.4Å; V736-E753 HydrophobicContact CG1-CB 4.47Å; V736-E753 HydrophobicContact CG2-CB 4.1Å; V736-E753 HydrophobicContact CG2-CG 3.95Å; D749-E753 WeakPolarHBondContact O-CB 3.33Å; D749-E753 PolarHBondContact O-N 3.47Å; E753-R756 PolarHBondContact O-N 2.87Å; E753-I757 WeakPolarHBondContact O-CG1 3.48Å; E753-I757 PolarHBondContact O-N 3.19Å
754	Q	82.9	Confident	80.2	Confident	34 Å²	34	79.1 Å²	79.1	16%	0.159	40%	0.402	C	S	.	.	H	α-helix	trans	-66.7	-43.1	173.4	-170.8	64.6	51.6	0	0	111.5	K735 V736 R750 L751 R756 I757 D758	K735-Q754 VanDerWaalsContact CA-OE1 3.26Å; V736-Q754 HydrophobicContact CG2-CB 4.38Å; R750-Q754 VanDerWaalsContact O-CB 3.29Å; R750-Q754 WeakPolarHBondContact O-CB 3.02Å; R750-Q754 PolarHBondContact O-N 3.44Å; L751-Q754 PolarHBondContact O-N 2.72Å; Q754-R756 VanDerWaalsContact C-N 3.3Å; Q754-R756 PolarHBondContact O-N 3.22Å; Q754-I757 WeakPolarHBondContact O-CB 3.38Å; Q754-I757 PolarHBondContact O-N 3.16Å; Q754-D758 PolarHBondContact NE2-OD1 3.06Å; Q754-D758 VanDerWaalsContact O-CG 3.24Å; Q754-D758 PolarHBondContact O-N 3.19Å
755	A	85.6	Confident	81.1	Confident	36 Å²	36	82.5 Å²	82.5	30%	0.298	41%	0.408	S	S	.	.	H	α-helix	trans	-58.7	-42.5	175.5	0	0	0	0	0	111.5	L751 I757 D758 E759	L751-A755 WeakPolarHBondContact O-CB 3.08Å; L751-A755 PolarHBondContact O-N 3.46Å; A755-I757 VanDerWaalsContact C-N 3.28Å; A755-I757 PolarHBondContact O-N 3.45Å; A755-D758 PolarHBondContact O-N 2.99Å; A755-E759 WeakPolarHBondContact O-CB 3.31Å; A755-E759 WeakPolarHBondContact O-CG 3.37Å; A755-E759 PolarHBondContact O-N 3.42Å
756	R	84.4	Confident	82.2	Confident	125 Å²	125	85.6 Å²	85.6	47%	0.472	42%	0.419	S	S	.	.	H	α-helix	trans	-59.6	-34.9	173.9	-78.8	-177.2	-83.1	-166.7	-3.2	113.5	Y726 E752 E753 Q754 A760	Y726-R756 HydrophobicContact CD1-CB 4.43Å; Y726-R756 HydrophobicContact CE1-CB 4.24Å; Y726-R756 HydrophobicContact CE2-CB 4.4Å; E752-R756 WeakPolarHBondContact O-CG 3.46Å; E752-R756 PolarHBondContact O-N 2.94Å; E752-R756 VanDerWaalsContact O-N 3.12Å; E752-R756 PolarHBondContact O-NE 2.72Å; E753-R756 PolarHBondContact O-N 2.87Å; Q754-R756 VanDerWaalsContact C-N 3.3Å; Q754-R756 PolarHBondContact O-N 3.22Å; R756-A760 WeakPolarHBondContact O-CB 3.49Å; R756-A760 PolarHBondContact O-N 3.22Å
757	I	83.5	Confident	83.3	Confident	1 Å²	1	86.7 Å²	86.7	1%	0.005	42%	0.423	C	S	.	.	H	α-helix	trans	-72.1	-45.7	174.4	-66.4	160.1	0	0	0	110.3	Y726 R729 K730 Y734 V736 E753 Q754 A755 E759 A760	Y726-I757 HydrophobicContact CD1-CG1 3.66Å; Y726-I757 HydrophobicContact CE1-CG1 4.29Å; R729-I757 HydrophobicContact CB-CD1 4.42Å; R729-I757 HydrophobicContact CB-CG1 4.18Å; R729-I757 HydrophobicContact CB-CG2 4.01Å; K730-I757 HydrophobicContact CB-CG2 4.08Å; K730-I757 WeakPolarHBondContact CB-O 3.43Å; K730-I757 WeakPolarHBondContact CD-O 3.35Å; Y734-I757 HydrophobicContact CD1-CD1 3.93Å; Y734-I757 HydrophobicContact CE1-CD1 4.39Å; V736-I757 HydrophobicContact CG2-CD1 3.52Å; E753-I757 WeakPolarHBondContact O-CG1 3.48Å; E753-I757 PolarHBondContact O-N 3.19Å; Q754-I757 WeakPolarHBondContact O-CB 3.38Å; Q754-I757 PolarHBondContact O-N 3.16Å; A755-I757 VanDerWaalsContact C-N 3.28Å; A755-I757 PolarHBondContact O-N 3.45Å; I757-E759 PolarHBondContact O-N 3.34Å; I757-A760 WeakPolarHBondContact O-CB 3.37Å; I757-A760 PolarHBondContact O-N 3.09Å
758	D	83.1	Confident	83.9	Confident	92 Å²	92	87.5 Å²	87.5	49%	0.492	43%	0.429	S	S	.	.	H	α-helix	trans	-68.9	-35.5	-174.1	-64.3	-14.4	0	0	0	111.7	K730 Q754 A755 A760	K730-D758 WeakPolarHBondContact CE-O 3.35Å; K730-D758 PolarHBondContact NZ-O 3.31Å; Q754-D758 PolarHBondContact NE2-OD1 3.06Å; Q754-D758 VanDerWaalsContact O-CG 3.24Å; Q754-D758 PolarHBondContact O-N 3.19Å; A755-D758 PolarHBondContact O-N 2.99Å; D758-A760 VanDerWaalsContact C-N 3.34Å
759	E	86.1	Confident	84.6	Confident	152 Å²	152	83 Å²	83	71%	0.71	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-7.8	175.8	-67.7	175.2	-174.4	0	0	113.4	A755 I757 E761	A755-E759 WeakPolarHBondContact O-CB 3.31Å; A755-E759 WeakPolarHBondContact O-CG 3.37Å; A755-E759 PolarHBondContact O-N 3.42Å; I757-E759 PolarHBondContact O-N 3.34Å; E759-E761 PolarHBondContact O-N 3.5Å
760	A	84.4	Confident	85.4	Confident	12 Å²	12	81.8 Å²	81.8	10%	0.099	42%	0.416	C	S	.	.			trans	-66.6	136.8	-175.5	0	0	0	0	0	113	Y726 A727 K730 R756 I757 D758	Y726-A760 VanDerWaalsContact C-CB 3.47Å; A727-A760 HydrophobicContact CB-CB 4.46Å; K730-A760 HydrophobicContact CD-CB 4.49Å; K730-A760 WeakPolarHBondContact CD-O 3.34Å; K730-A760 PolarHBondContact NZ-O 3.37Å; R756-A760 WeakPolarHBondContact O-CB 3.49Å; R756-A760 PolarHBondContact O-N 3.22Å; I757-A760 WeakPolarHBondContact O-CB 3.37Å; I757-A760 PolarHBondContact O-N 3.09Å; D758-A760 VanDerWaalsContact C-N 3.34Å
761	E	85.8	Confident	85.9	Confident	148 Å²	148	79.6 Å²	79.6	69%	0.692	41%	0.408	S	S	*	.			trans	-118.9	150.3	173.5	-64.5	-172.5	161.5	0	0	110.2	E759	E759-E761 PolarHBondContact O-N 3.5Å
762	P	85.5	Confident	86.3	Confident	107 Å²	107	79.9 Å²	79.9	70%	0.695	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-58.4	147.1	171.6	-20	32.3	0	0	0	111.4	T764	P762-T764 PolarHBondContact O-N 3.15Å
763	L	84.8	Confident	86.7	Confident	25 Å²	25	81.1 Å²	81.1	13%	0.131	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-58.4	135.5	174.7	-65.5	174.9	0	0	0	110.4	L720 K723 E724 E767 K771	L720-L763 HydrophobicContact CB-CD2 4.43Å; L720-L763 HydrophobicContact CD2-CD2 3.92Å; K723-L763 HydrophobicContact CB-CD2 3.82Å; K723-L763 HydrophobicContact CD-CD2 3.96Å; E724-L763 HydrophobicContact CB-CD1 4.14Å; L763-E767 WeakPolarHBondContact CA-OE2 3.44Å; L763-E767 HydrophobicContact CB-CB 4.19Å; L763-E767 HydrophobicContact CD2-CB 4.06Å; L763-E767 WeakPolarHBondContact CD2-OE2 3.38Å; L763-K771 HydrophobicContact CD1-CD 4.18Å
764	T	89.4	Confident	87.2	Confident	75 Å²	75	78.9 Å²	78.9	46%	0.46	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-69.3	163.1	172.1	65	0	0	0	0	110.7	P762 E766 E767 L768	P762-T764 PolarHBondContact O-N 3.15Å; T764-E766 PolarHBondContact O-N 2.96Å; T764-E767 PolarHBondContact N-OE2 2.87Å; T764-E767 PolarHBondContact O-N 3.39Å; T764-E767 VanDerWaalsContact O-N 3.14Å; T764-E767 WeakPolarHBondContact OG1-CG 3.48Å; T764-E767 PolarHBondContact OG1-N 3.35Å; T764-L768 WeakPolarHBondContact O-CB 3.35Å; T764-L768 PolarHBondContact O-N 3.12Å
765	E	86.2	Confident	87.5	Confident	182 Å²	182	78.7 Å²	78.7	85%	0.85	40%	0.403	S	S	*	.	H	α-helix	trans	-57.7	-35.4	176.7	-68	-173.5	169	0	0	112.3	L768 A769	E765-L768 PolarHBondContact O-N 3.33Å; E765-A769 PolarHBondContact O-N 3.2Å
766	E	90.5	Very high	87.6	Confident	165 Å²	165	81.9 Å²	81.9	77%	0.771	42%	0.418	S	S	*	.	H	α-helix	trans	-65.5	-45.6	175	-64.4	-177.3	168.2	0	0	112	T764 L768 A769 E770	T764-E766 PolarHBondContact O-N 2.96Å; E766-L768 VanDerWaalsContact C-N 3.28Å; E766-L768 PolarHBondContact O-N 2.88Å; E766-A769 PolarHBondContact O-N 3.38Å; E766-E770 WeakPolarHBondContact O-CB 3.32Å; E766-E770 PolarHBondContact O-N 3.41Å
767	E	90.5	Very high	87.8	Confident	30 Å²	30	81.1 Å²	81.1	14%	0.14	42%	0.42	C	S	.	.	H	α-helix	trans	-66.8	-30.9	177	-72.6	-176.9	142	0	0	112.2	L720 K723 L763 T764 E770 K771	L720-E767 HydrophobicContact CD2-CB 4.07Å; L720-E767 HydrophobicContact CD2-CG 4.17Å; K723-E767 IonicContact NZ-OE1 3.87Å; K723-E767 PolarHBondContact NZ-OE1 3.26Å; K723-E767 IonicContact NZ-OE2 3.59Å; L763-E767 WeakPolarHBondContact CA-OE2 3.44Å; L763-E767 HydrophobicContact CB-CB 4.19Å; L763-E767 HydrophobicContact CD2-CB 4.06Å; L763-E767 WeakPolarHBondContact CD2-OE2 3.38Å; T764-E767 PolarHBondContact N-OE2 2.87Å; T764-E767 PolarHBondContact O-N 3.39Å; T764-E767 VanDerWaalsContact O-N 3.14Å; T764-E767 WeakPolarHBondContact OG1-CG 3.48Å; T764-E767 PolarHBondContact OG1-N 3.35Å; E767-E770 PolarHBondContact O-N 3.45Å; E767-K771 WeakPolarHBondContact O-CB 3.3Å; E767-K771 PolarHBondContact O-N 3.29Å
768	L	87.7	Confident	88	Confident	87 Å²	87	81.5 Å²	81.5	46%	0.455	42%	0.424	S	S	.	.	H	α-helix	trans	-69.9	-39.9	176.2	-138.2	144.1	0	0	0	110.9	T764 E765 E766 K771 E772	T764-L768 WeakPolarHBondContact O-CB 3.35Å; T764-L768 PolarHBondContact O-N 3.12Å; E765-L768 PolarHBondContact O-N 3.33Å; E766-L768 VanDerWaalsContact C-N 3.28Å; E766-L768 PolarHBondContact O-N 2.88Å; L768-K771 PolarHBondContact O-N 2.94Å; L768-E772 PolarHBondContact O-N 3.17Å
769	A	89.5	Confident	88.3	Confident	61 Å²	61	78.6 Å²	78.6	50%	0.504	41%	0.407	S	S	.	.	H	α-helix	trans	-66.1	-42.8	170.9	0	0	0	0	0	112	E765 E766 K771 E772 E773	E765-A769 PolarHBondContact O-N 3.2Å; E766-A769 PolarHBondContact O-N 3.38Å; A769-K771 VanDerWaalsContact C-N 3.31Å; A769-K771 PolarHBondContact O-N 2.91Å; A769-E772 PolarHBondContact O-N 3.25Å; A769-E773 PolarHBondContact O-N 3.14Å
770	E	92	Very high	88.3	Confident	62 Å²	62	75.4 Å²	75.4	29%	0.29	40%	0.398	S	S	.	.	H	α-helix	trans	-58	-43.7	174.9	-170.1	-169.1	172.4	0	0	110.8	R716 L720 E766 E767 E773 L774	R716-E770 VanDerWaalsContact CG-OE1 3.26Å; R716-E770 WeakPolarHBondContact CG-OE1 3.34Å; R716-E770 IonicContact CZ-OE1 3.61Å; R716-E770 IonicContact CZ-OE2 2.79Å; R716-E770 IonicContact NE-OE1 3.62Å; R716-E770 PolarHBondContact NE-OE1 2.93Å; R716-E770 IonicContact NE-OE2 3.57Å; R716-E770 IonicContact NH2-OE1 2.88Å; R716-E770 IonicContact NH2-OE2 3.4Å; R716-E770 PolarHBondContact NH2-OE2 3.15Å; L720-E770 HydrophobicContact CD1-CB 4.25Å; L720-E770 HydrophobicContact CD1-CG 4.19Å; E766-E770 WeakPolarHBondContact O-CB 3.32Å; E766-E770 PolarHBondContact O-N 3.41Å; E767-E770 PolarHBondContact O-N 3.45Å; E770-E773 PolarHBondContact O-N 2.99Å; E770-L774 HydrophobicContact CG-CD1 3.95Å; E770-L774 HydrophobicContact CG-CG 4.39Å; E770-L774 WeakPolarHBondContact O-CB 3.4Å; E770-L774 WeakPolarHBondContact O-CG 3.27Å; E770-L774 PolarHBondContact O-N 3.35Å
771	K	88.9	Confident	88.5	Confident	13 Å²	13	78.5 Å²	78.5	6%	0.057	41%	0.413	C	S	.	.	H	α-helix	trans	-59.8	-47.3	176.6	175.9	-179	163.1	-175.1	0	112	L717 L720 E724 L763 E767 L768 A769 E773 L774 L775	L717-K771 HydrophobicContact CD1-CG 4.05Å; L720-K771 HydrophobicContact CD1-CB 3.88Å; E724-K771 IonicContact OE1-NZ 2.86Å; E724-K771 PolarHBondContact OE1-NZ 3.06Å; E724-K771 IonicContact OE2-NZ 3.49Å; E724-K771 PolarHBondContact OE2-NZ 3.17Å; L763-K771 HydrophobicContact CD1-CD 4.18Å; E767-K771 WeakPolarHBondContact O-CB 3.3Å; E767-K771 PolarHBondContact O-N 3.29Å; L768-K771 PolarHBondContact O-N 2.94Å; A769-K771 VanDerWaalsContact C-N 3.31Å; A769-K771 PolarHBondContact O-N 2.91Å; K771-E773 VanDerWaalsContact C-N 3.31Å; K771-E773 PolarHBondContact O-N 3.18Å; K771-L774 PolarHBondContact O-N 2.84Å; K771-L775 HydrophobicContact CG-CD1 4.39Å; K771-L775 WeakPolarHBondContact O-CG 3.47Å; K771-L775 PolarHBondContact O-N 3.36Å
772	E	88.6	Confident	88.7	Confident	113 Å²	113	71.6 Å²	71.6	53%	0.528	38%	0.381	S	S	.	.	H	α-helix	trans	-63.2	-38.5	177.8	-71.4	-63.5	142.4	0	0	111.5	L768 A769 L775	L768-E772 PolarHBondContact O-N 3.17Å; A769-E772 PolarHBondContact O-N 3.25Å; E772-L775 PolarHBondContact O-N 3.38Å
773	E	91	Very high	88.9	Confident	123 Å²	123	68.9 Å²	68.9	58%	0.575	36%	0.364	S	S	*	.	H	α-helix	trans	-64.7	-47.4	174.5	-172	178.9	171.8	0	0	111.8	A769 E770 K771 L775 T776	A769-E773 PolarHBondContact O-N 3.14Å; E770-E773 PolarHBondContact O-N 2.99Å; K771-E773 VanDerWaalsContact C-N 3.31Å; K771-E773 PolarHBondContact O-N 3.18Å; E773-L775 VanDerWaalsContact C-N 3.26Å; E773-L775 PolarHBondContact O-N 3.41Å; E773-T776 WeakPolarHBondContact O-CB 3.3Å; E773-T776 PolarHBondContact O-N 2.86Å; E773-T776 PolarHBondContact O-OG1 3.02Å
774	L	90.6	Very high	89	Confident	14 Å²	14	73.9 Å²	73.9	7%	0.073	39%	0.385	C	S	.	.	H	α-helix	trans	-63.7	-29.9	-179.7	-70.2	170.1	0	0	0	113	P714 R716 L717 L720 E770 K771 T776 Q777	P714-L774 HydrophobicContact CB-CD2 4.02Å; P714-L774 HydrophobicContact CG-CD2 3.88Å; R716-L774 HydrophobicContact CB-CD1 4.01Å; R716-L774 HydrophobicContact CG-CD1 3.69Å; L717-L774 HydrophobicContact CB-CB 4.15Å; L717-L774 HydrophobicContact CB-CD1 4.41Å; L717-L774 HydrophobicContact CD1-CB 4.08Å; L720-L774 HydrophobicContact CD1-CD1 3.89Å; E770-L774 HydrophobicContact CG-CD1 3.95Å; E770-L774 HydrophobicContact CG-CG 4.39Å; E770-L774 WeakPolarHBondContact O-CB 3.4Å; E770-L774 WeakPolarHBondContact O-CG 3.27Å; E770-L774 PolarHBondContact O-N 3.35Å; K771-L774 PolarHBondContact O-N 2.84Å; L774-T776 PolarHBondContact O-N 2.74Å; L774-Q777 PolarHBondContact O-N 2.86Å
775	L	89.1	Confident	88.9	Confident	30 Å²	30	77.5 Å²	77.5	16%	0.157	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-18	172.8	-77.3	168.4	0	0	0	113.1	P705 V707 F713 L717 K771 E772 E773 T780	P705-L775 HydrophobicContact CB-CD1 4.44Å; P705-L775 HydrophobicContact CB-CD2 3.82Å; P705-L775 HydrophobicContact CG-CD1 3.96Å; P705-L775 HydrophobicContact CG-CD2 4.05Å; V707-L775 HydrophobicContact CG1-CD2 4.21Å; F713-L775 WeakPolarHBondContact CE1-O 3.43Å; L717-L775 HydrophobicContact CD1-CD2 4.1Å; L717-L775 HydrophobicContact CD1-CG 3.93Å; L717-L775 HydrophobicContact CD2-CD2 3.8Å; L717-L775 HydrophobicContact CD2-CG 4.35Å; K771-L775 HydrophobicContact CG-CD1 4.39Å; K771-L775 WeakPolarHBondContact O-CG 3.47Å; K771-L775 PolarHBondContact O-N 3.36Å; E772-L775 PolarHBondContact O-N 3.38Å; E773-L775 VanDerWaalsContact C-N 3.26Å; E773-L775 PolarHBondContact O-N 3.41Å; L775-T780 VanDerWaalsContact O-CG2 3.27Å; L775-T780 WeakPolarHBondContact O-CG2 3.46Å
776	T	87.3	Confident	89.1	Confident	102 Å²	102	69.9 Å²	69.9	63%	0.626	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-17.1	175.6	72.4	0	0	0	0	113.7	E773 L774	E773-T776 WeakPolarHBondContact O-CB 3.3Å; E773-T776 PolarHBondContact O-N 2.86Å; E773-T776 PolarHBondContact O-OG1 3.02Å; L774-T776 PolarHBondContact O-N 2.74Å
777	Q	88.5	Confident	89.1	Confident	109 Å²	109	62.5 Å²	62.5	51%	0.509	32%	0.321	S	S	.	.	S	Bend	trans	-83.6	-13.4	-172.7	-62.4	-174.7	15.8	0	0	114.2	P714 L774	P714-Q777 HydrophobicContact CG-CB 4.06Å; L774-Q777 PolarHBondContact O-N 2.86Å
778	G	88.1	Confident	89	Confident	9 Å²	9	66 Å²	66	9%	0.093	34%	0.337	C	S	.	.	S	Bend	trans	-81.1	170.8	174.3	0	0	0	0	0	113.3	Q711 T780	Q711-G778 WeakPolarHBondContact O-CA 3.45Å; G778-T780 PolarHBondContact O-N 3.2Å
779	F	90.7	Very high	89.1	Confident	32 Å²	32	63.5 Å²	63.5	14%	0.14	32%	0.323	C	S	.	.			trans	-76.6	64	171.7	-67.9	-80.1	0	0	0	111.1	Q711 F712 N781 W782 R819 Y820 V823	Q711-F779 PolarHBondContact NE2-O 3.26Å; Q711-F779 PolarHBondContact O-N 2.8Å; F712-F779 HydrophobicContact CB-CD2 4.23Å; F712-F779 HydrophobicContact CB-CE2 4.42Å; F712-F779 HydrophobicContact CD2-CD2 4.05Å; F712-F779 HydrophobicContact CD2-CE2 4.19Å; F779-N781 PolarHBondContact O-N 2.98Å; F779-W782 HydrophobicContact CB-CB 4.13Å; F779-W782 HydrophobicContact CB-CG 4.02Å; F779-W782 AromaticContact CD1-CD1 3.88Å; F779-W782 AromaticContact CD1-NE1 3.89Å; F779-W782 WeakPolarHBondContact O-CB 3.25Å; F779-W782 PolarHBondContact O-N 2.92Å; F779-R819 HydrophobicContact CE1-CG 4.3Å; F779-R819 HydrophobicContact CZ-CG 4.44Å; F779-Y820 HydrophobicContact CB-CD2 4.24Å; F779-Y820 HydrophobicContact CB-CE2 4.24Å; F779-Y820 AromaticContact CD1-CD2 3.78Å; F779-Y820 HydrophobicContact CD1-CD2 3.78Å; F779-Y820 AromaticContact CD2-CD2 3.75Å; F779-Y820 HydrophobicContact CD2-CD2 3.75Å; F779-Y820 AromaticContact CD2-CE2 3.95Å; F779-Y820 HydrophobicContact CD2-CE2 3.95Å; F779-Y820 AromaticContact CE1-CD2 3.97Å; F779-Y820 HydrophobicContact CE1-CD2 3.97Å; F779-Y820 AromaticContact CE2-CD2 3.94Å; F779-Y820 HydrophobicContact CE2-CD2 3.94Å; F779-Y820 HydrophobicContact CE2-CE2 4.43Å; F779-Y820 AromaticContact CG-CD2 3.66Å; F779-Y820 HydrophobicContact CG-CD2 3.66Å; F779-Y820 HydrophobicContact CG-CE2 4.02Å; F779-Y820 HydrophobicContact CZ-CD2 4.05Å; F779-V823 HydrophobicContact CE2-CB 3.79Å; F779-V823 HydrophobicContact CE2-CG1 3.86Å; F779-V823 HydrophobicContact CE2-CG2 3.97Å; F779-V823 HydrophobicContact CZ-CB 3.98Å; F779-V823 HydrophobicContact CZ-CG2 3.79Å
780	T	86.1	Confident	89.1	Confident	84 Å²	84	60.6 Å²	60.6	52%	0.515	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-29.5	-175.7	54.3	0	0	0	0	113.1	F713 L775 G778 W782	F713-T780 HydrophobicContact CE1-CG2 3.98Å; F713-T780 HydrophobicContact CZ-CG2 3.97Å; L775-T780 VanDerWaalsContact O-CG2 3.27Å; L775-T780 WeakPolarHBondContact O-CG2 3.46Å; G778-T780 PolarHBondContact O-N 3.2Å; T780-W782 VanDerWaalsContact C-N 3.31Å; T780-W782 PolarHBondContact O-N 2.7Å
781	N	87.1	Confident	88.8	Confident	77 Å²	77	58.3 Å²	58.3	41%	0.412	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-6.6	177.3	71.8	-29.3	0	0	0	113.7	F779 K812 E816	F779-N781 PolarHBondContact O-N 2.98Å; N781-K812 PolarHBondContact ND2-NZ 3.11Å; N781-K812 PolarHBondContact O-NZ 3.31Å; N781-E816 PolarHBondContact ND2-OE1 3.26Å
782	W	90.9	Very high	88.5	Confident	4 Å²	4	64.6 Å²	64.6	2%	0.015	32%	0.316	C	S	.	.			trans	-86.7	121.3	176.8	-78.5	67.6	0	0	0	111	F710 Q711 F779 T780 D786 F790 V809 K812 Y820	F710-W782 WeakPolarHBondContact CE2-O 3.5Å; Q711-W782 PolarHBondContact NE2-O 2.94Å; F779-W782 HydrophobicContact CB-CB 4.13Å; F779-W782 HydrophobicContact CB-CG 4.02Å; F779-W782 AromaticContact CD1-CD1 3.88Å; F779-W782 AromaticContact CD1-NE1 3.89Å; F779-W782 WeakPolarHBondContact O-CB 3.25Å; F779-W782 PolarHBondContact O-N 2.92Å; T780-W782 VanDerWaalsContact C-N 3.31Å; T780-W782 PolarHBondContact O-N 2.7Å; W782-D786 HydrophobicContact CE3-CB 3.89Å; W782-D786 HydrophobicContact CZ3-CB 4.31Å; W782-F790 HydrophobicContact CH2-CD2 4.35Å; W782-F790 HydrophobicContact CZ3-CB 3.98Å; W782-F790 HydrophobicContact CZ3-CG 4.3Å; W782-V809 HydrophobicContact CH2-CG1 4.42Å; W782-K812 HydrophobicContact CH2-CG 4.49Å; W782-K812 HydrophobicContact CZ2-CD 4.41Å; W782-K812 HydrophobicContact CZ2-CG 4.17Å; W782-Y820 HydrophobicContact CD2-CD1 4.36Å; W782-Y820 AromaticContact CD2-CD2 3.6Å; W782-Y820 HydrophobicContact CD2-CD2 3.6Å; W782-Y820 AromaticContact CD2-CE2 3.77Å; W782-Y820 HydrophobicContact CD2-CE2 3.77Å; W782-Y820 AromaticContact CD2-CG 3.91Å; W782-Y820 HydrophobicContact CD2-CG 3.91Å; W782-Y820 AromaticContact CE2-CD2 3.53Å; W782-Y820 AromaticContact CE2-CG 3.56Å; W782-Y820 AromaticContact CE3-CD1 4Å; W782-Y820 HydrophobicContact CE3-CD1 4Å; W782-Y820 AromaticContact CE3-CD2 3.97Å; W782-Y820 HydrophobicContact CE3-CD2 3.97Å; W782-Y820 AromaticContact CE3-CE1 3.9Å; W782-Y820 HydrophobicContact CE3-CE1 3.9Å; W782-Y820 AromaticContact CE3-CE2 3.88Å; W782-Y820 HydrophobicContact CE3-CE2 3.88Å; W782-Y820 HydrophobicContact CE3-CG 4.03Å; W782-Y820 AromaticContact CE3-CZ 3.85Å; W782-Y820 HydrophobicContact CG-CD2 4.04Å; W782-Y820 HydrophobicContact CG-CE2 4.08Å; W782-Y820 AromaticContact CH2-CD1 3.44Å; W782-Y820 HydrophobicContact CH2-CD1 3.44Å; W782-Y820 VanDerWaalsContact CH2-CD1 3.44Å; W782-Y820 HydrophobicContact CH2-CD2 4.23Å; W782-Y820 HydrophobicContact CH2-CE1 4.1Å; W782-Y820 AromaticContact CH2-CG 3.51Å; W782-Y820 HydrophobicContact CH2-CG 3.51Å; W782-Y820 AromaticContact CZ2-CD1 3.85Å; W782-Y820 HydrophobicContact CZ2-CD1 3.85Å; W782-Y820 AromaticContact CZ2-CD2 3.89Å; W782-Y820 HydrophobicContact CZ2-CD2 3.89Å; W782-Y820 AromaticContact CZ2-CG 3.38Å; W782-Y820 HydrophobicContact CZ2-CG 3.38Å; W782-Y820 AromaticContact CZ3-CD1 3.52Å; W782-Y820 HydrophobicContact CZ3-CD1 3.52Å; W782-Y820 HydrophobicContact CZ3-CD2 4.27Å; W782-Y820 AromaticContact CZ3-CE1 3.67Å; W782-Y820 HydrophobicContact CZ3-CE1 3.67Å; W782-Y820 HydrophobicContact CZ3-CE2 4.4Å; W782-Y820 AromaticContact CZ3-CG 3.84Å; W782-Y820 HydrophobicContact CZ3-CG 3.84Å; W782-Y820 AromaticContact NE1-CD2 3.86Å
783	S	89.4	Confident	88.2	Confident	50 Å²	50	59.3 Å²	59.3	35%	0.35	29%	0.292	S	S	.	.			trans	-90.3	165.6	174.7	89.6	0	0	0	0	111.8	R785 D786 F787	S783-R785 PolarHBondContact O-N 3.39Å; S783-R785 PolarHBondContact OG-N 3.27Å; S783-D786 PolarHBondContact N-OD2 3.43Å; S783-D786 PolarHBondContact O-N 2.91Å; S783-D786 PolarHBondContact OG-N 3.17Å; S783-D786 PolarHBondContact OG-OD1 2.77Å; S783-D786 PolarHBondContact OG-OD2 2.84Å; S783-F787 PolarHBondContact O-N 3.45Å; S783-F787 VanDerWaalsContact O-N 3.07Å
784	K	86.1	Confident	87.7	Confident	129 Å²	129	54.2 Å²	54.2	56%	0.561	27%	0.268	S	S	*	.	H	α-helix	trans	-60.9	-28.9	173.1	-171.8	169.9	-174.7	165.6	0	112.6	F710 Q788	F710-K784 HydrophobicContact CE1-CB 4.19Å; F710-K784 HydrophobicContact CE1-CG 4.37Å; F710-K784 HydrophobicContact CZ-CB 3.97Å; K784-Q788 VanDerWaalsContact O-CG 3.29Å; K784-Q788 WeakPolarHBondContact O-CG 3.43Å; K784-Q788 PolarHBondContact O-N 3.29Å; K784-Q788 VanDerWaalsContact O-N 3.16Å
785	R	88.1	Confident	86.9	Confident	152 Å²	152	56.1 Å²	56.1	57%	0.574	28%	0.277	S	S	*	.	H	α-helix	trans	-68.8	-45.9	175.7	178	-178.4	170.1	176.4	-4.6	110.3	S783 F787 Q788 Q789 E810	S783-R785 PolarHBondContact O-N 3.39Å; S783-R785 PolarHBondContact OG-N 3.27Å; R785-F787 VanDerWaalsContact C-N 3.33Å; R785-F787 PolarHBondContact O-N 3.29Å; R785-Q788 PolarHBondContact O-N 2.99Å; R785-Q788 VanDerWaalsContact O-N 3.15Å; R785-Q789 PolarHBondContact O-N 2.77Å; R785-E810 IonicContact NH2-OE2 3.74Å; R785-E810 PolarHBondContact NH2-OE2 3.01Å
786	D	91.2	Very high	86.3	Confident	21 Å²	21	60.8 Å²	60.8	11%	0.112	30%	0.296	C	S	.	.	H	α-helix	trans	-61.7	-44.7	-179.1	-45.1	-8.1	0	0	0	109.9	W782 S783 Q788 Q789 F790 K812	W782-D786 HydrophobicContact CE3-CB 3.89Å; W782-D786 HydrophobicContact CZ3-CB 4.31Å; S783-D786 PolarHBondContact N-OD2 3.43Å; S783-D786 PolarHBondContact O-N 2.91Å; S783-D786 PolarHBondContact OG-N 3.17Å; S783-D786 PolarHBondContact OG-OD1 2.77Å; S783-D786 PolarHBondContact OG-OD2 2.84Å; D786-Q788 PolarHBondContact O-N 3.23Å; D786-Q789 PolarHBondContact O-N 3.16Å; D786-F790 WeakPolarHBondContact O-CB 3.38Å; D786-F790 PolarHBondContact O-N 3.43Å; D786-K812 VanDerWaalsContact OD2-CE 3.27Å; D786-K812 WeakPolarHBondContact OD2-CE 3.45Å; D786-K812 IonicContact OD2-NZ 2.69Å
787	F	90.3	Very high	85.8	Confident	11 Å²	11	58.7 Å²	58.7	5%	0.048	28%	0.279	C	S	.	.	H	α-helix	trans	-58.1	-45.8	173.8	176.9	-114.8	0	0	0	112.3	F710 S783 R785 Q789 F790 I791 Y820 F824 L831 H837	F710-F787 HydrophobicContact CB-CB 4.49Å; F710-F787 HydrophobicContact CB-CD1 4.18Å; F710-F787 HydrophobicContact CB-CD2 3.72Å; F710-F787 HydrophobicContact CB-CE1 4.33Å; F710-F787 HydrophobicContact CB-CE2 3.89Å; F710-F787 HydrophobicContact CB-CG 3.87Å; F710-F787 HydrophobicContact CB-CZ 4.19Å; F710-F787 HydrophobicContact CD1-CD1 4.25Å; F710-F787 HydrophobicContact CD1-CG 4.41Å; F710-F787 HydrophobicContact CD2-CB 3.92Å; F710-F787 HydrophobicContact CD2-CG 4.22Å; F710-F787 HydrophobicContact CE2-CB 4.33Å; F710-F787 HydrophobicContact CG-CB 4.1Å; F710-F787 HydrophobicContact CG-CD1 4.19Å; F710-F787 HydrophobicContact CG-CD2 4.24Å; F710-F787 AromaticContact CG-CG 3.92Å; F710-F787 HydrophobicContact CG-CG 3.92Å; S783-F787 PolarHBondContact O-N 3.45Å; S783-F787 VanDerWaalsContact O-N 3.07Å; R785-F787 VanDerWaalsContact C-N 3.33Å; R785-F787 PolarHBondContact O-N 3.29Å; F787-Q789 PolarHBondContact O-N 2.93Å; F787-F790 PolarHBondContact O-N 3.01Å; F787-I791 HydrophobicContact CD2-CG1 4.28Å; F787-I791 HydrophobicContact CE1-CG1 4.16Å; F787-I791 HydrophobicContact CE2-CD1 3.87Å; F787-I791 HydrophobicContact CE2-CG1 3.87Å; F787-I791 HydrophobicContact CZ-CD1 3.92Å; F787-I791 HydrophobicContact CZ-CG1 3.8Å; F787-I791 WeakPolarHBondContact O-CG1 3.46Å; F787-I791 PolarHBondContact O-N 3.2Å; F787-Y820 HydrophobicContact CD2-CE1 4.46Å; F787-Y820 WeakPolarHBondContact CD2-OH 3.47Å; F787-F824 HydrophobicContact CE2-CD2 4.17Å; F787-F824 AromaticContact CE2-CE2 3.72Å; F787-F824 HydrophobicContact CE2-CE2 3.72Å; F787-F824 HydrophobicContact CZ-CE2 4.33Å; F787-L831 HydrophobicContact CE2-CD1 4.49Å; F787-L831 HydrophobicContact CZ-CD1 4.23Å; F787-H837 AromaticContact CE1-CE1 3.57Å; F787-H837 AromaticContact CE1-NE2 3.71Å; F787-H837 AromaticContact CZ-CE1 3.94Å; F787-H837 AromaticContact CZ-NE2 3.95Å
788	Q	87.3	Confident	85.1	Confident	104 Å²	104	54 Å²	54	49%	0.486	26%	0.259	S	S	.	.	H	α-helix	trans	-65.6	-37.3	177.9	-74.8	177.4	0.1	0	0	113	K784 R785 D786 K792	K784-Q788 VanDerWaalsContact O-CG 3.29Å; K784-Q788 WeakPolarHBondContact O-CG 3.43Å; K784-Q788 PolarHBondContact O-N 3.29Å; K784-Q788 VanDerWaalsContact O-N 3.16Å; R785-Q788 PolarHBondContact O-N 2.99Å; R785-Q788 VanDerWaalsContact O-N 3.15Å; D786-Q788 PolarHBondContact O-N 3.23Å; Q788-K792 WeakPolarHBondContact O-CG 3.35Å; Q788-K792 PolarHBondContact O-N 2.9Å; Q788-K792 VanDerWaalsContact O-N 3.07Å
789	Q	89.5	Confident	84.4	Confident	34 Å²	34	59.3 Å²	59.3	16%	0.159	28%	0.276	C	S	.	.	H	α-helix	trans	-64.2	-44.7	173.1	-76.1	176.1	-27.3	0	0	110.5	R785 D786 F787 I791 K792 A793 V809 E810	R785-Q789 PolarHBondContact O-N 2.77Å; D786-Q789 PolarHBondContact O-N 3.16Å; F787-Q789 PolarHBondContact O-N 2.93Å; Q789-I791 PolarHBondContact O-N 3.02Å; Q789-K792 PolarHBondContact O-N 3.06Å; Q789-A793 VanDerWaalsContact O-CB 3.26Å; Q789-A793 WeakPolarHBondContact O-CB 3.38Å; Q789-A793 PolarHBondContact O-N 3.06Å; Q789-V809 HydrophobicContact CB-CG2 4.37Å; Q789-E810 PolarHBondContact NE2-OE2 3.49Å
790	F	89.6	Confident	83.6	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-59.5	-46	176.3	177.5	-99.1	0	0	0	112.2	W782 D786 F787 K792 A793 N794 I805 V809 V817 Y820 A821 F824	W782-F790 HydrophobicContact CH2-CD2 4.35Å; W782-F790 HydrophobicContact CZ3-CB 3.98Å; W782-F790 HydrophobicContact CZ3-CG 4.3Å; D786-F790 WeakPolarHBondContact O-CB 3.38Å; D786-F790 PolarHBondContact O-N 3.43Å; F787-F790 PolarHBondContact O-N 3.01Å; F790-K792 PolarHBondContact O-N 3.36Å; F790-A793 PolarHBondContact O-N 2.89Å; F790-N794 VanDerWaalsContact CE1-ND2 3.26Å; F790-N794 WeakPolarHBondContact CE1-ND2 3.37Å; F790-N794 VanDerWaalsContact CE2-ND2 3.27Å; F790-N794 WeakPolarHBondContact CE2-ND2 3.43Å; F790-N794 WeakPolarHBondContact CZ-ND2 3.45Å; F790-N794 PolarHBondContact O-N 2.65Å; F790-N794 PolarHBondContact O-ND2 2.84Å; F790-I805 HydrophobicContact CD2-CG2 3.74Å; F790-I805 HydrophobicContact CE2-CG2 3.93Å; F790-V809 HydrophobicContact CB-CG2 3.99Å; F790-V809 HydrophobicContact CD2-CG2 4.41Å; F790-V817 HydrophobicContact CD2-CG1 4.33Å; F790-V817 HydrophobicContact CE2-CG1 4.26Å; F790-Y820 HydrophobicContact CD1-CD1 4.22Å; F790-Y820 AromaticContact CD1-CE1 3.92Å; F790-Y820 HydrophobicContact CD1-CE1 3.92Å; F790-Y820 HydrophobicContact CD2-CD1 4.42Å; F790-Y820 HydrophobicContact CE1-CD1 4.16Å; F790-Y820 HydrophobicContact CE1-CE1 4.07Å; F790-Y820 HydrophobicContact CE2-CD1 4.35Å; F790-Y820 HydrophobicContact CG-CD1 4.35Å; F790-Y820 HydrophobicContact CG-CE1 4.33Å; F790-Y820 HydrophobicContact CZ-CD1 4.22Å; F790-A821 HydrophobicContact CE2-CB 3.96Å; F790-A821 HydrophobicContact CZ-CB 3.85Å; F790-F824 HydrophobicContact CE1-CB 4.32Å; F790-F824 AromaticContact CE1-CD1 3.67Å; F790-F824 HydrophobicContact CE1-CD1 3.67Å; F790-F824 HydrophobicContact CE1-CD2 4.21Å; F790-F824 HydrophobicContact CE1-CE1 4Å; F790-F824 AromaticContact CE1-CG 3.79Å; F790-F824 HydrophobicContact CE1-CG 3.79Å; F790-F824 HydrophobicContact CE1-CZ 4.43Å; F790-F824 HydrophobicContact CZ-CD1 4.23Å; F790-F824 HydrophobicContact CZ-CG 4.45Å
791	I	86.1	Confident	83.4	Confident	14 Å²	14	63.5 Å²	63.5	7%	0.072	30%	0.297	C	S	.	.	H	α-helix	trans	-61.6	-45.4	176.7	-65.2	-63.9	0	0	0	111.3	F787 Q789 A793 N794 E795 F824 H837	F787-I791 HydrophobicContact CD2-CG1 4.28Å; F787-I791 HydrophobicContact CE1-CG1 4.16Å; F787-I791 HydrophobicContact CE2-CD1 3.87Å; F787-I791 HydrophobicContact CE2-CG1 3.87Å; F787-I791 HydrophobicContact CZ-CD1 3.92Å; F787-I791 HydrophobicContact CZ-CG1 3.8Å; F787-I791 WeakPolarHBondContact O-CG1 3.46Å; F787-I791 PolarHBondContact O-N 3.2Å; Q789-I791 PolarHBondContact O-N 3.02Å; I791-A793 PolarHBondContact O-N 2.83Å; I791-N794 PolarHBondContact O-N 3.32Å; I791-E795 PolarHBondContact O-N 3.05Å; I791-F824 HydrophobicContact CD1-CE2 3.94Å; I791-F824 HydrophobicContact CD1-CZ 3.62Å; I791-H837 HydrophobicContact CD1-CB 4.42Å
792	K	82.1	Confident	83.2	Confident	145 Å²	145	62.1 Å²	62.1	63%	0.63	29%	0.29	S	S	*	.	H	α-helix	trans	-64.4	-39.7	177.5	-77.6	-178.3	177.3	-178.4	0	112.7	Q788 Q789 F790 E795 K796	Q788-K792 WeakPolarHBondContact O-CG 3.35Å; Q788-K792 PolarHBondContact O-N 2.9Å; Q788-K792 VanDerWaalsContact O-N 3.07Å; Q789-K792 PolarHBondContact O-N 3.06Å; F790-K792 PolarHBondContact O-N 3.36Å; K792-E795 WeakPolarHBondContact O-CB 3.35Å; K792-E795 PolarHBondContact O-N 3.46Å; K792-K796 WeakPolarHBondContact O-CB 3.44Å; K792-K796 PolarHBondContact O-N 2.94Å
793	A	82.8	Confident	82.9	Confident	2 Å²	2	68.6 Å²	68.6	2%	0.017	32%	0.32	C	S	.	.	H	α-helix	trans	-65.1	-41.1	177.6	0	0	0	0	0	111.2	Q789 F790 I791 E795 K796 H797 I805 D808	Q789-A793 VanDerWaalsContact O-CB 3.26Å; Q789-A793 WeakPolarHBondContact O-CB 3.38Å; Q789-A793 PolarHBondContact O-N 3.06Å; F790-A793 PolarHBondContact O-N 2.89Å; I791-A793 PolarHBondContact O-N 2.83Å; A793-E795 VanDerWaalsContact C-N 3.33Å; A793-E795 PolarHBondContact O-N 3.22Å; A793-K796 PolarHBondContact O-N 2.85Å; A793-H797 PolarHBondContact O-CD2 2.88Å; A793-H797 PolarHBondContact O-N 2.87Å; A793-I805 HydrophobicContact CB-CB 4.27Å; A793-I805 HydrophobicContact CB-CG1 4.19Å; A793-I805 HydrophobicContact CB-CG2 3.91Å; A793-D808 HydrophobicContact CB-CB 3.74Å
794	N	81.2	Confident	82.5	Confident	15 Å²	15	67.3 Å²	67.3	8%	0.08	31%	0.312	C	S	.	.	H	α-helix	trans	-63.9	-35.5	171.7	-81.3	-87	0	0	0	112.4	F790 I791 K796 G798 I805 W825	F790-N794 VanDerWaalsContact CE1-ND2 3.26Å; F790-N794 WeakPolarHBondContact CE1-ND2 3.37Å; F790-N794 VanDerWaalsContact CE2-ND2 3.27Å; F790-N794 WeakPolarHBondContact CE2-ND2 3.43Å; F790-N794 WeakPolarHBondContact CZ-ND2 3.45Å; F790-N794 PolarHBondContact O-N 2.65Å; F790-N794 PolarHBondContact O-ND2 2.84Å; I791-N794 PolarHBondContact O-N 3.32Å; N794-K796 VanDerWaalsContact C-N 3.29Å; N794-K796 PolarHBondContact O-N 2.65Å; N794-G798 VanDerWaalsContact O-CA 3.29Å; N794-G798 WeakPolarHBondContact O-CA 3.5Å; N794-G798 PolarHBondContact O-N 3.46Å; N794-I805 WeakPolarHBondContact OD1-CD1 3.42Å; N794-W825 WeakPolarHBondContact OD1-CZ2 3.33Å
795	E	74.1	Confident	82.5	Confident	54 Å²	54	61.1 Å²	61.1	25%	0.252	29%	0.285	S	S	.	.	H	α-helix	trans	-64.5	-36.6	173.5	-170.2	-177.8	179.4	0	0	111.5	I791 K792 A793 G842 K845	I791-E795 PolarHBondContact O-N 3.05Å; K792-E795 WeakPolarHBondContact O-CB 3.35Å; K792-E795 PolarHBondContact O-N 3.46Å; A793-E795 VanDerWaalsContact C-N 3.33Å; A793-E795 PolarHBondContact O-N 3.22Å; E795-G842 WeakPolarHBondContact O-CA 3.27Å; E795-K845 IonicContact OE1-NZ 3.94Å; E795-K845 PolarHBondContact OE1-NZ 2.92Å
796	K	75.6	Confident	82.4	Confident	128 Å²	128	54.7 Å²	54.7	56%	0.557	26%	0.264	S	S	*	.	H	α-helix	trans	-79.5	-48.3	-174.8	-176	177.5	162.5	-157.2	0	113.2	K792 A793 N794 D808	K792-K796 WeakPolarHBondContact O-CB 3.44Å; K792-K796 PolarHBondContact O-N 2.94Å; A793-K796 PolarHBondContact O-N 2.85Å; N794-K796 VanDerWaalsContact C-N 3.29Å; N794-K796 PolarHBondContact O-N 2.65Å; K796-D808 WeakPolarHBondContact CD-OD2 3.49Å; K796-D808 IonicContact NZ-OD1 3.44Å; K796-D808 PolarHBondContact NZ-OD1 3.49Å; K796-D808 IonicContact NZ-OD2 3.42Å; K796-D808 PolarHBondContact NZ-OD2 2.79Å
797	H	77.9	Confident	82.2	Confident	59 Å²	59	59.1 Å²	59.1	27%	0.273	29%	0.291	S	S	.	.	H	α-helix	trans	-102.3	-17.3	-171.8	-55.1	-63.6	0	0	0	113.6	A793 D801 A804 I805 D808	A793-H797 PolarHBondContact O-CD2 2.88Å; A793-H797 PolarHBondContact O-N 2.87Å; H797-D801 HydrophobicContact CB-CB 4.21Å; H797-A804 HydrophobicContact CB-CB 4.05Å; H797-I805 HydrophobicContact CB-CG1 4.45Å; H797-D808 IonicContact CD2-OD2 3.16Å; H797-D808 IonicContact CE1-OD2 3.33Å; H797-D808 IonicContact NE2-OD2 2.72Å; H797-D808 PolarHBondContact NE2-OD2 3.4Å
798	G	72.9	Confident	82	Confident	9 Å²	9	61 Å²	61	9%	0.093	30%	0.301	C	S	.	.			trans	84.1	160.7	-170.3	0	0	0	0	0	112.1	N794 D800 I805	N794-G798 VanDerWaalsContact O-CA 3.29Å; N794-G798 WeakPolarHBondContact O-CA 3.5Å; N794-G798 PolarHBondContact O-N 3.46Å; G798-D800 VanDerWaalsContact C-N 3.28Å; G798-D800 PolarHBondContact O-N 3.03Å; G798-I805 WeakPolarHBondContact O-CD1 3.46Å
799	R	73.2	Confident	82.1	Confident	121 Å²	121	56 Å²	56	46%	0.457	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-24.4	-168	75.3	-177.6	-176.8	-173.3	-2.8	115.1	W825 E843	R799-W825 HydrophobicContact CB-CH2 4.3Å; R799-W825 HydrophobicContact CB-CZ2 3.53Å; R799-E843 WeakPolarHBondContact CD-OE1 3.49Å; R799-E843 WeakPolarHBondContact CG-OE1 3.25Å; R799-E843 IonicContact NE-OE1 3.5Å
800	D	74.7	Confident	81.8	Confident	129 Å²	129	60.1 Å²	60.1	69%	0.69	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-18.7	-169.8	-60.1	-41.7	0	0	0	111.8	G798 L802	G798-D800 VanDerWaalsContact C-N 3.28Å; G798-D800 PolarHBondContact O-N 3.03Å; D800-L802 PolarHBondContact O-N 3.46Å; D800-L802 VanDerWaalsContact O-N 3.16Å
801	D	81.5	Confident	81.6	Confident	76 Å²	76	64 Å²	64	41%	0.406	34%	0.337	S	S	.	.			trans	-90.5	68.9	179.9	-165.1	-14.2	0	0	0	111.6	H797 E803 A804 I805	H797-D801 HydrophobicContact CB-CB 4.21Å; D801-E803 PolarHBondContact O-N 2.98Å; D801-A804 HydrophobicContact CB-CB 4.38Å; D801-A804 VanDerWaalsContact CG-CB 3.45Å; D801-A804 PolarHBondContact O-N 3.25Å; D801-A804 WeakPolarHBondContact OD1-CB 3.27Å; D801-A804 PolarHBondContact OD1-N 3.49Å; D801-A804 WeakPolarHBondContact OD2-CB 3.19Å; D801-I805 WeakPolarHBondContact O-CD1 3.27Å; D801-I805 VanDerWaalsContact O-CG1 3.26Å; D801-I805 WeakPolarHBondContact O-CG1 3.37Å; D801-I805 PolarHBondContact O-N 2.93Å; D801-I805 VanDerWaalsContact O-N 3.07Å
802	L	82.6	Confident	81.7	Confident	48 Å²	48	64.6 Å²	64.6	25%	0.251	34%	0.339	S	S	.	.	H	α-helix	trans	-65.3	-24.1	-177.7	-62.8	178.5	0	0	0	113	D800 I805 S806 K818 A821	D800-L802 PolarHBondContact O-N 3.46Å; D800-L802 VanDerWaalsContact O-N 3.16Å; L802-I805 HydrophobicContact CD2-CD1 4.23Å; L802-S806 WeakPolarHBondContact O-CB 3.49Å; L802-S806 PolarHBondContact O-N 3.39Å; L802-K818 HydrophobicContact CB-CG 4.26Å; L802-K818 HydrophobicContact CD1-CG 3.94Å; L802-A821 HydrophobicContact CD2-CB 3.64Å
803	E	84.5	Confident	82.1	Confident	140 Å²	140	61.1 Å²	61.1	65%	0.654	33%	0.33	S	S	*	.	H	α-helix	trans	-70.4	-51	176.7	-70.6	-173.7	174.8	0	0	110.6	D801 I805 S806 V807	D801-E803 PolarHBondContact O-N 2.98Å; E803-I805 VanDerWaalsContact C-N 3.29Å; E803-I805 PolarHBondContact O-N 3.45Å; E803-S806 PolarHBondContact O-N 3.47Å; E803-S806 VanDerWaalsContact O-N 3.11Å; E803-S806 PolarHBondContact O-OG 3.03Å; E803-V807 PolarHBondContact O-N 3.25Å
804	A	81.7	Confident	82.3	Confident	22 Å²	22	64.2 Å²	64.2	18%	0.182	35%	0.35	C	S	.	.	H	α-helix	trans	-63.5	-36.3	176.5	0	0	0	0	0	112.2	H797 D801 S806 V807 D808	H797-A804 HydrophobicContact CB-CB 4.05Å; D801-A804 HydrophobicContact CB-CB 4.38Å; D801-A804 VanDerWaalsContact CG-CB 3.45Å; D801-A804 PolarHBondContact O-N 3.25Å; D801-A804 WeakPolarHBondContact OD1-CB 3.27Å; D801-A804 PolarHBondContact OD1-N 3.49Å; D801-A804 WeakPolarHBondContact OD2-CB 3.19Å; A804-S806 VanDerWaalsContact C-N 3.33Å; A804-S806 PolarHBondContact O-N 3.31Å; A804-V807 PolarHBondContact O-N 2.73Å; A804-D808 PolarHBondContact O-N 3.26Å
805	I	85	Confident	82.7	Confident	0 Å²	0	69 Å²	69	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-61.5	-42.5	173.8	-68	164.2	0	0	0	110.9	F790 A793 N794 H797 G798 D801 L802 E803 V807 D808 V809 V817	F790-I805 HydrophobicContact CD2-CG2 3.74Å; F790-I805 HydrophobicContact CE2-CG2 3.93Å; A793-I805 HydrophobicContact CB-CB 4.27Å; A793-I805 HydrophobicContact CB-CG1 4.19Å; A793-I805 HydrophobicContact CB-CG2 3.91Å; N794-I805 WeakPolarHBondContact OD1-CD1 3.42Å; H797-I805 HydrophobicContact CB-CG1 4.45Å; G798-I805 WeakPolarHBondContact O-CD1 3.46Å; D801-I805 WeakPolarHBondContact O-CD1 3.27Å; D801-I805 VanDerWaalsContact O-CG1 3.26Å; D801-I805 WeakPolarHBondContact O-CG1 3.37Å; D801-I805 PolarHBondContact O-N 2.93Å; D801-I805 VanDerWaalsContact O-N 3.07Å; L802-I805 HydrophobicContact CD2-CD1 4.23Å; E803-I805 VanDerWaalsContact C-N 3.29Å; E803-I805 PolarHBondContact O-N 3.45Å; I805-V807 PolarHBondContact O-N 3.37Å; I805-D808 PolarHBondContact O-N 3.39Å; I805-D808 VanDerWaalsContact O-N 3.16Å; I805-V809 HydrophobicContact CG2-CG2 4.23Å; I805-V809 WeakPolarHBondContact O-CG2 3.2Å; I805-V809 PolarHBondContact O-N 2.61Å; I805-V817 HydrophobicContact CG2-CG1 3.84Å
806	S	87.3	Confident	83.4	Confident	17 Å²	17	69.3 Å²	69.3	12%	0.119	38%	0.377	C	S	.	.	H	α-helix	trans	-64.1	-28	-178.5	72.8	0	0	0	0	113.7	L802 E803 A804	L802-S806 WeakPolarHBondContact O-CB 3.49Å; L802-S806 PolarHBondContact O-N 3.39Å; E803-S806 PolarHBondContact O-N 3.47Å; E803-S806 VanDerWaalsContact O-N 3.11Å; E803-S806 PolarHBondContact O-OG 3.03Å; A804-S806 VanDerWaalsContact C-N 3.33Å; A804-S806 PolarHBondContact O-N 3.31Å
807	V	87.5	Confident	84.1	Confident	113 Å²	113	63.2 Å²	63.2	69%	0.685	35%	0.351	S	S	*	.	H	α-helix	trans	-71.7	-36.5	175.8	176.8	0	0	0	0	111.8	E803 A804 I805	E803-V807 PolarHBondContact O-N 3.25Å; A804-V807 PolarHBondContact O-N 2.73Å; I805-V807 PolarHBondContact O-N 3.37Å
808	D	85.8	Confident	84.7	Confident	50 Å²	50	64.5 Å²	64.5	27%	0.267	36%	0.355	S	S	.	.	H	α-helix	trans	-81.4	-17.6	-178.6	-79	-6.4	0	0	0	112.9	A793 K796 H797 A804 I805 E810	A793-D808 HydrophobicContact CB-CB 3.74Å; K796-D808 WeakPolarHBondContact CD-OD2 3.49Å; K796-D808 IonicContact NZ-OD1 3.44Å; K796-D808 PolarHBondContact NZ-OD1 3.49Å; K796-D808 IonicContact NZ-OD2 3.42Å; K796-D808 PolarHBondContact NZ-OD2 2.79Å; H797-D808 IonicContact CD2-OD2 3.16Å; H797-D808 IonicContact CE1-OD2 3.33Å; H797-D808 IonicContact NE2-OD2 2.72Å; H797-D808 PolarHBondContact NE2-OD2 3.4Å; A804-D808 PolarHBondContact O-N 3.26Å; I805-D808 PolarHBondContact O-N 3.39Å; I805-D808 VanDerWaalsContact O-N 3.16Å; D808-E810 PolarHBondContact O-N 3.25Å
809	V	88.6	Confident	85.5	Confident	1 Å²	1	72.8 Å²	72.8	1%	0.006	38%	0.384	C	S	.	.	S	Bend	trans	-93.4	85	176.2	-174.7	0	0	0	0	110.3	W782 Q789 F790 I805 G811 K812 V817	W782-V809 HydrophobicContact CH2-CG1 4.42Å; Q789-V809 HydrophobicContact CB-CG2 4.37Å; F790-V809 HydrophobicContact CB-CG2 3.99Å; F790-V809 HydrophobicContact CD2-CG2 4.41Å; I805-V809 HydrophobicContact CG2-CG2 4.23Å; I805-V809 WeakPolarHBondContact O-CG2 3.2Å; I805-V809 PolarHBondContact O-N 2.61Å; V809-G811 PolarHBondContact O-N 3.29Å; V809-K812 HydrophobicContact CG1-CB 4.1Å; V809-K812 HydrophobicContact CG1-CG 3.78Å; V809-K812 PolarHBondContact O-N 2.95Å; V809-V817 HydrophobicContact CB-CG2 4.32Å; V809-V817 HydrophobicContact CG1-CG2 4.49Å
810	E	83.8	Confident	86.4	Confident	120 Å²	120	67 Å²	67	56%	0.561	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	129.8	-178.3	-63.4	172	163	0	0	112.4	R785 Q789 D808	R785-E810 IonicContact NH2-OE2 3.74Å; R785-E810 PolarHBondContact NH2-OE2 3.01Å; Q789-E810 PolarHBondContact NE2-OE2 3.49Å; D808-E810 PolarHBondContact O-N 3.25Å
811	G	85.7	Confident	87	Confident	80 Å²	80	61 Å²	61	83%	0.825	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.3	5.9	174.9	0	0	0	0	0	115.4	V809	V809-G811 PolarHBondContact O-N 3.29Å
812	K	88.5	Confident	87.4	Confident	28 Å²	28	66.8 Å²	66.8	12%	0.122	35%	0.346	C	S	.	.			trans	-113.7	141.5	170.9	-60.7	-59.8	177.8	-164.8	0	111.2	N781 W782 D786 V809 E816 V817	N781-K812 PolarHBondContact ND2-NZ 3.11Å; N781-K812 PolarHBondContact O-NZ 3.31Å; W782-K812 HydrophobicContact CH2-CG 4.49Å; W782-K812 HydrophobicContact CZ2-CD 4.41Å; W782-K812 HydrophobicContact CZ2-CG 4.17Å; D786-K812 VanDerWaalsContact OD2-CE 3.27Å; D786-K812 WeakPolarHBondContact OD2-CE 3.45Å; D786-K812 IonicContact OD2-NZ 2.69Å; V809-K812 HydrophobicContact CG1-CB 4.1Å; V809-K812 HydrophobicContact CG1-CG 3.78Å; V809-K812 PolarHBondContact O-N 2.95Å; K812-E816 HydrophobicContact CB-CB 4.5Å; K812-V817 HydrophobicContact CB-CG2 3.68Å
813	T	88.9	Confident	87.7	Confident	71 Å²	71	66.3 Å²	66.3	44%	0.436	35%	0.345	S	S	.	.			trans	-73.6	153.6	172	62.1	0	0	0	0	110.6	D815 E816 V817	T813-D815 PolarHBondContact O-N 3.21Å; T813-D815 VanDerWaalsContact O-N 3.17Å; T813-E816 PolarHBondContact N-OE2 2.79Å; T813-E816 PolarHBondContact O-N 3.2Å; T813-E816 VanDerWaalsContact O-N 3.1Å; T813-E816 WeakPolarHBondContact OG1-CB 3.08Å; T813-E816 WeakPolarHBondContact OG1-CG 3.49Å; T813-E816 PolarHBondContact OG1-N 2.91Å; T813-E816 PolarHBondContact OG1-OE2 3.14Å; T813-V817 PolarHBondContact O-N 3.15Å
814	P	87.3	Confident	87.9	Confident	67 Å²	67	60 Å²	60	44%	0.435	32%	0.316	S	S	.	.	H	α-helix	trans	-54.5	-35.1	176.4	-27.7	35.4	0	0	0	113.6	V817 K818	P814-V817 PolarHBondContact O-N 3.49Å; P814-K818 WeakPolarHBondContact O-CB 3.4Å; P814-K818 VanDerWaalsContact O-CG 3.28Å; P814-K818 WeakPolarHBondContact O-CG 3.32Å; P814-K818 PolarHBondContact O-N 3.3Å
815	D	89.1	Confident	88.1	Confident	116 Å²	116	63.3 Å²	63.3	62%	0.62	32%	0.324	S	S	*	.	H	α-helix	trans	-71.8	-36.9	178.6	-67.9	-32.8	0	0	0	112.8	T813 K818 R819	T813-D815 PolarHBondContact O-N 3.21Å; T813-D815 VanDerWaalsContact O-N 3.17Å; D815-K818 PolarHBondContact O-N 3.24Å; D815-R819 WeakPolarHBondContact O-CB 3.48Å; D815-R819 PolarHBondContact O-N 3.28Å
816	E	90.3	Very high	88.2	Confident	60 Å²	60	68.4 Å²	68.4	28%	0.28	36%	0.355	S	S	.	.	H	α-helix	trans	-63.6	-42.9	172.3	-75.2	172.2	125.7	0	0	111.4	N781 K812 T813 R819 Y820	N781-E816 PolarHBondContact ND2-OE1 3.26Å; K812-E816 HydrophobicContact CB-CB 4.5Å; T813-E816 PolarHBondContact N-OE2 2.79Å; T813-E816 PolarHBondContact O-N 3.2Å; T813-E816 VanDerWaalsContact O-N 3.1Å; T813-E816 WeakPolarHBondContact OG1-CB 3.08Å; T813-E816 WeakPolarHBondContact OG1-CG 3.49Å; T813-E816 PolarHBondContact OG1-N 2.91Å; T813-E816 PolarHBondContact OG1-OE2 3.14Å; E816-R819 PolarHBondContact O-N 3.2Å; E816-Y820 WeakPolarHBondContact O-CB 3.1Å; E816-Y820 PolarHBondContact O-N 3.14Å
817	V	90.2	Very high	88.2	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-64.8	-42.6	177.4	176.5	0	0	0	0	110.7	F790 I805 V809 K812 T813 P814 Y820 A821	F790-V817 HydrophobicContact CD2-CG1 4.33Å; F790-V817 HydrophobicContact CE2-CG1 4.26Å; I805-V817 HydrophobicContact CG2-CG1 3.84Å; V809-V817 HydrophobicContact CB-CG2 4.32Å; V809-V817 HydrophobicContact CG1-CG2 4.49Å; K812-V817 HydrophobicContact CB-CG2 3.68Å; T813-V817 PolarHBondContact O-N 3.15Å; P814-V817 PolarHBondContact O-N 3.49Å; V817-Y820 PolarHBondContact O-N 3.36Å; V817-A821 VanDerWaalsContact O-CB 3.22Å; V817-A821 WeakPolarHBondContact O-CB 3.34Å; V817-A821 PolarHBondContact O-N 3.33Å
818	K	89.6	Confident	87.9	Confident	86 Å²	86	65.5 Å²	65.5	37%	0.374	33%	0.331	S	S	.	.	H	α-helix	trans	-61	-44.8	174.4	-76.1	172	-177.6	174.9	0	112.1	L802 P814 D815 R822	L802-K818 HydrophobicContact CB-CG 4.26Å; L802-K818 HydrophobicContact CD1-CG 3.94Å; P814-K818 WeakPolarHBondContact O-CB 3.4Å; P814-K818 VanDerWaalsContact O-CG 3.28Å; P814-K818 WeakPolarHBondContact O-CG 3.32Å; P814-K818 PolarHBondContact O-N 3.3Å; D815-K818 PolarHBondContact O-N 3.24Å; K818-R822 PolarHBondContact O-N 3.24Å; K818-R822 VanDerWaalsContact O-N 3.12Å
819	R	89.5	Confident	87.7	Confident	183 Å²	183	68.7 Å²	68.7	69%	0.691	35%	0.348	S	S	*	.	H	α-helix	trans	-63.4	-46.1	178.1	-172.2	-179.7	-69.9	-170.3	-1.2	111	F779 D815 E816 R822 V823	F779-R819 HydrophobicContact CE1-CG 4.3Å; F779-R819 HydrophobicContact CZ-CG 4.44Å; D815-R819 WeakPolarHBondContact O-CB 3.48Å; D815-R819 PolarHBondContact O-N 3.28Å; E816-R819 PolarHBondContact O-N 3.2Å; R819-R822 PolarHBondContact O-N 3.44Å; R819-V823 PolarHBondContact O-N 3.47Å
820	Y	92.7	Very high	87.4	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-63.9	-47.1	177.4	-172.5	-96.3	0	0	0	111.9	F710 F712 F779 W782 F787 F790 E816 V817 R822 V823 F824	F710-Y820 VanDerWaalsContact O-CE2 3.3Å; F710-Y820 WeakPolarHBondContact O-CE2 3.43Å; F710-Y820 PolarHBondContact O-OH 2.8Å; F712-Y820 HydrophobicContact CD2-CE2 4.03Å; F712-Y820 AromaticContact CE2-CE2 3.95Å; F712-Y820 HydrophobicContact CE2-CE2 3.95Å; F712-Y820 AromaticContact CE2-CZ 3.82Å; F779-Y820 HydrophobicContact CB-CD2 4.24Å; F779-Y820 HydrophobicContact CB-CE2 4.24Å; F779-Y820 AromaticContact CD1-CD2 3.78Å; F779-Y820 HydrophobicContact CD1-CD2 3.78Å; F779-Y820 AromaticContact CD2-CD2 3.75Å; F779-Y820 HydrophobicContact CD2-CD2 3.75Å; F779-Y820 AromaticContact CD2-CE2 3.95Å; F779-Y820 HydrophobicContact CD2-CE2 3.95Å; F779-Y820 AromaticContact CE1-CD2 3.97Å; F779-Y820 HydrophobicContact CE1-CD2 3.97Å; F779-Y820 AromaticContact CE2-CD2 3.94Å; F779-Y820 HydrophobicContact CE2-CD2 3.94Å; F779-Y820 HydrophobicContact CE2-CE2 4.43Å; F779-Y820 AromaticContact CG-CD2 3.66Å; F779-Y820 HydrophobicContact CG-CD2 3.66Å; F779-Y820 HydrophobicContact CG-CE2 4.02Å; F779-Y820 HydrophobicContact CZ-CD2 4.05Å; W782-Y820 HydrophobicContact CD2-CD1 4.36Å; W782-Y820 AromaticContact CD2-CD2 3.6Å; W782-Y820 HydrophobicContact CD2-CD2 3.6Å; W782-Y820 AromaticContact CD2-CE2 3.77Å; W782-Y820 HydrophobicContact CD2-CE2 3.77Å; W782-Y820 AromaticContact CD2-CG 3.91Å; W782-Y820 HydrophobicContact CD2-CG 3.91Å; W782-Y820 AromaticContact CE2-CD2 3.53Å; W782-Y820 AromaticContact CE2-CG 3.56Å; W782-Y820 AromaticContact CE3-CD1 4Å; W782-Y820 HydrophobicContact CE3-CD1 4Å; W782-Y820 AromaticContact CE3-CD2 3.97Å; W782-Y820 HydrophobicContact CE3-CD2 3.97Å; W782-Y820 AromaticContact CE3-CE1 3.9Å; W782-Y820 HydrophobicContact CE3-CE1 3.9Å; W782-Y820 AromaticContact CE3-CE2 3.88Å; W782-Y820 HydrophobicContact CE3-CE2 3.88Å; W782-Y820 HydrophobicContact CE3-CG 4.03Å; W782-Y820 AromaticContact CE3-CZ 3.85Å; W782-Y820 HydrophobicContact CG-CD2 4.04Å; W782-Y820 HydrophobicContact CG-CE2 4.08Å; W782-Y820 AromaticContact CH2-CD1 3.44Å; W782-Y820 HydrophobicContact CH2-CD1 3.44Å; W782-Y820 VanDerWaalsContact CH2-CD1 3.44Å; W782-Y820 HydrophobicContact CH2-CD2 4.23Å; W782-Y820 HydrophobicContact CH2-CE1 4.1Å; W782-Y820 AromaticContact CH2-CG 3.51Å; W782-Y820 HydrophobicContact CH2-CG 3.51Å; W782-Y820 AromaticContact CZ2-CD1 3.85Å; W782-Y820 HydrophobicContact CZ2-CD1 3.85Å; W782-Y820 AromaticContact CZ2-CD2 3.89Å; W782-Y820 HydrophobicContact CZ2-CD2 3.89Å; W782-Y820 AromaticContact CZ2-CG 3.38Å; W782-Y820 HydrophobicContact CZ2-CG 3.38Å; W782-Y820 AromaticContact CZ3-CD1 3.52Å; W782-Y820 HydrophobicContact CZ3-CD1 3.52Å; W782-Y820 HydrophobicContact CZ3-CD2 4.27Å; W782-Y820 AromaticContact CZ3-CE1 3.67Å; W782-Y820 HydrophobicContact CZ3-CE1 3.67Å; W782-Y820 HydrophobicContact CZ3-CE2 4.4Å; W782-Y820 AromaticContact CZ3-CG 3.84Å; W782-Y820 HydrophobicContact CZ3-CG 3.84Å; W782-Y820 AromaticContact NE1-CD2 3.86Å; F787-Y820 HydrophobicContact CD2-CE1 4.46Å; F787-Y820 WeakPolarHBondContact CD2-OH 3.47Å; F790-Y820 HydrophobicContact CD1-CD1 4.22Å; F790-Y820 AromaticContact CD1-CE1 3.92Å; F790-Y820 HydrophobicContact CD1-CE1 3.92Å; F790-Y820 HydrophobicContact CD2-CD1 4.42Å; F790-Y820 HydrophobicContact CE1-CD1 4.16Å; F790-Y820 HydrophobicContact CE1-CE1 4.07Å; F790-Y820 HydrophobicContact CE2-CD1 4.35Å; F790-Y820 HydrophobicContact CG-CD1 4.35Å; F790-Y820 HydrophobicContact CG-CE1 4.33Å; F790-Y820 HydrophobicContact CZ-CD1 4.22Å; E816-Y820 WeakPolarHBondContact O-CB 3.1Å; E816-Y820 PolarHBondContact O-N 3.14Å; V817-Y820 PolarHBondContact O-N 3.36Å; Y820-R822 VanDerWaalsContact C-N 3.3Å; Y820-R822 PolarHBondContact O-N 3.02Å; Y820-V823 PolarHBondContact O-N 2.97Å; Y820-V823 VanDerWaalsContact O-N 3.14Å; Y820-F824 HydrophobicContact CD1-CB 4.24Å; Y820-F824 HydrophobicContact CE1-CB 4.08Å; Y820-F824 HydrophobicContact CE1-CD2 4.22Å; Y820-F824 HydrophobicContact CE1-CG 4.39Å; Y820-F824 VanDerWaalsContact O-CB 3.24Å; Y820-F824 WeakPolarHBondContact O-CB 3.49Å; Y820-F824 PolarHBondContact O-N 2.96Å
821	A	87.2	Confident	87.4	Confident	2 Å²	2	67.6 Å²	67.6	2%	0.017	34%	0.343	C	S	.	.	H	α-helix	trans	-57.1	-42.4	178.9	0	0	0	0	0	112.1	F790 L802 V817 V823 F824 W825	F790-A821 HydrophobicContact CE2-CB 3.96Å; F790-A821 HydrophobicContact CZ-CB 3.85Å; L802-A821 HydrophobicContact CD2-CB 3.64Å; V817-A821 VanDerWaalsContact O-CB 3.22Å; V817-A821 WeakPolarHBondContact O-CB 3.34Å; V817-A821 PolarHBondContact O-N 3.33Å; A821-V823 PolarHBondContact O-N 3.45Å; A821-F824 PolarHBondContact O-N 3.28Å; A821-W825 PolarHBondContact O-N 3.39Å
822	R	89.1	Confident	86.9	Confident	199 Å²	199	72.1 Å²	72.1	75%	0.751	34%	0.343	S	S	*	.	H	α-helix	trans	-59.7	-46.7	176.8	-173.3	-175.9	-67.6	175.6	-1.5	112	K818 R819 Y820 T826	K818-R822 PolarHBondContact O-N 3.24Å; K818-R822 VanDerWaalsContact O-N 3.12Å; R819-R822 PolarHBondContact O-N 3.44Å; Y820-R822 VanDerWaalsContact C-N 3.3Å; Y820-R822 PolarHBondContact O-N 3.02Å; R822-T826 PolarHBondContact O-N 3.48Å; R822-T826 PolarHBondContact O-OG1 2.89Å
823	V	89.3	Confident	86.1	Confident	38 Å²	38	75 Å²	75	23%	0.23	36%	0.36	C	S	.	.	H	α-helix	trans	-70.8	-45.5	179.7	-178.9	0	0	0	0	110.7	F712 F779 R819 Y820 A821 W825 T826 R827	F712-V823 HydrophobicContact CB-CG1 4.08Å; F712-V823 HydrophobicContact CD2-CG1 4.16Å; F712-V823 HydrophobicContact CG-CG1 4.04Å; F779-V823 HydrophobicContact CE2-CB 3.79Å; F779-V823 HydrophobicContact CE2-CG1 3.86Å; F779-V823 HydrophobicContact CE2-CG2 3.97Å; F779-V823 HydrophobicContact CZ-CB 3.98Å; F779-V823 HydrophobicContact CZ-CG2 3.79Å; R819-V823 PolarHBondContact O-N 3.47Å; Y820-V823 PolarHBondContact O-N 2.97Å; Y820-V823 VanDerWaalsContact O-N 3.14Å; A821-V823 PolarHBondContact O-N 3.45Å; V823-W825 VanDerWaalsContact C-N 3.34Å; V823-W825 PolarHBondContact O-N 3.37Å; V823-T826 PolarHBondContact O-N 3.04Å; V823-T826 VanDerWaalsContact O-N 3.08Å; V823-R827 HydrophobicContact CG1-CG 4.41Å; V823-R827 WeakPolarHBondContact O-CB 3.24Å; V823-R827 PolarHBondContact O-N 3Å
824	F	89.8	Confident	85.3	Confident	8 Å²	8	73.1 Å²	73.1	4%	0.035	35%	0.348	C	S	.	.	H	α-helix	trans	-52.8	-49.8	177.7	173.6	-93.2	0	0	0	111.2	F712 F787 F790 I791 Y820 A821 T826 R827 C828 L831	F712-F824 HydrophobicContact CE2-CB 4.09Å; F712-F824 HydrophobicContact CE2-CD2 4.1Å; F712-F824 HydrophobicContact CZ-CB 4.24Å; F712-F824 AromaticContact CZ-CD2 3.82Å; F712-F824 HydrophobicContact CZ-CD2 3.82Å; F712-F824 HydrophobicContact CZ-CG 4.44Å; F787-F824 HydrophobicContact CE2-CD2 4.17Å; F787-F824 AromaticContact CE2-CE2 3.72Å; F787-F824 HydrophobicContact CE2-CE2 3.72Å; F787-F824 HydrophobicContact CZ-CE2 4.33Å; F790-F824 HydrophobicContact CE1-CB 4.32Å; F790-F824 AromaticContact CE1-CD1 3.67Å; F790-F824 HydrophobicContact CE1-CD1 3.67Å; F790-F824 HydrophobicContact CE1-CD2 4.21Å; F790-F824 HydrophobicContact CE1-CE1 4Å; F790-F824 AromaticContact CE1-CG 3.79Å; F790-F824 HydrophobicContact CE1-CG 3.79Å; F790-F824 HydrophobicContact CE1-CZ 4.43Å; F790-F824 HydrophobicContact CZ-CD1 4.23Å; F790-F824 HydrophobicContact CZ-CG 4.45Å; I791-F824 HydrophobicContact CD1-CE2 3.94Å; I791-F824 HydrophobicContact CD1-CZ 3.62Å; Y820-F824 HydrophobicContact CD1-CB 4.24Å; Y820-F824 HydrophobicContact CE1-CB 4.08Å; Y820-F824 HydrophobicContact CE1-CD2 4.22Å; Y820-F824 HydrophobicContact CE1-CG 4.39Å; Y820-F824 VanDerWaalsContact O-CB 3.24Å; Y820-F824 WeakPolarHBondContact O-CB 3.49Å; Y820-F824 PolarHBondContact O-N 2.96Å; A821-F824 PolarHBondContact O-N 3.28Å; F824-T826 VanDerWaalsContact C-N 3.31Å; F824-T826 PolarHBondContact O-N 3.49Å; F824-R827 PolarHBondContact O-N 3.23Å; F824-C828 HydrophobicContact CZ-CB 4.47Å; F824-C828 WeakPolarHBondContact O-CA 3.49Å; F824-C828 WeakPolarHBondContact O-CB 3.4Å; F824-C828 PolarHBondContact O-N 3.37Å; F824-L831 HydrophobicContact CD2-CD1 4.29Å; F824-L831 HydrophobicContact CE2-CD1 3.63Å; F824-L831 HydrophobicContact CZ-CD1 4.45Å
825	W	85	Confident	84.4	Confident	91 Å²	91	76.6 Å²	76.6	35%	0.345	36%	0.363	S	S	.	.	H	α-helix	trans	-70	-28.2	-179.2	-68.8	122.3	0	0	0	113.7	N794 R799 A821 V823 M838	N794-W825 WeakPolarHBondContact OD1-CZ2 3.33Å; R799-W825 HydrophobicContact CB-CH2 4.3Å; R799-W825 HydrophobicContact CB-CZ2 3.53Å; A821-W825 PolarHBondContact O-N 3.39Å; V823-W825 VanDerWaalsContact C-N 3.34Å; V823-W825 PolarHBondContact O-N 3.37Å; W825-M838 HydrophobicContact CZ3-CE 4.43Å; W825-M838 HydrophobicContact CZ3-SD 4.48Å
826	T	86.4	Confident	83.3	Confident	107 Å²	107	77.1 Å²	77.1	66%	0.656	36%	0.36	S	S	*	.	H	α-helix	trans	-77.5	-34.5	177.7	-51.4	0	0	0	0	112.1	R822 V823 F824	R822-T826 PolarHBondContact O-N 3.48Å; R822-T826 PolarHBondContact O-OG1 2.89Å; V823-T826 PolarHBondContact O-N 3.04Å; V823-T826 VanDerWaalsContact O-N 3.08Å; F824-T826 VanDerWaalsContact C-N 3.31Å; F824-T826 PolarHBondContact O-N 3.49Å
827	R	87.8	Confident	82.1	Confident	52 Å²	52	76.5 Å²	76.5	20%	0.196	36%	0.357	C	S	.	.	H	α-helix	trans	-116.8	11.3	-171.8	-65.9	178.1	65.2	-167.7	-7.8	113.8	F712 F713 V823 F824 N829 E830	F712-R827 HydrophobicContact CD1-CB 3.75Å; F712-R827 HydrophobicContact CE1-CB 3.82Å; F712-R827 WeakPolarHBondContact CE1-O 3.44Å; F712-R827 PolarHBondContact O-NH1 3.34Å; F712-R827 PolarHBondContact O-NH2 3.15Å; F713-R827 PolarHBondContact O-NH2 3.19Å; V823-R827 HydrophobicContact CG1-CG 4.41Å; V823-R827 WeakPolarHBondContact O-CB 3.24Å; V823-R827 PolarHBondContact O-N 3Å; F824-R827 PolarHBondContact O-N 3.23Å; R827-N829 WeakPolarHBondContact CA-OD1 3.22Å; R827-N829 PolarHBondContact O-N 3.06Å; R827-N829 VanDerWaalsContact O-N 3.09Å; R827-N829 PolarHBondContact O-OD1 3.35Å; R827-E830 HydrophobicContact CB-CG 4.45Å; R827-E830 WeakPolarHBondContact CG-OE1 3.49Å; R827-E830 IonicContact CZ-OE1 2.77Å; R827-E830 IonicContact CZ-OE2 4Å; R827-E830 VanDerWaalsContact CZ-OE2 3.28Å; R827-E830 VanDerWaalsContact NE-CD 3.31Å; R827-E830 IonicContact NE-OE1 2.79Å; R827-E830 PolarHBondContact NE-OE1 3.44Å; R827-E830 IonicContact NE-OE2 3.95Å; R827-E830 PolarHBondContact NE-OE2 3.5Å; R827-E830 VanDerWaalsContact NE-OE2 3.08Å; R827-E830 IonicContact NH2-OE1 2.89Å; R827-E830 IonicContact NH2-OE2 3.02Å; R827-E830 PolarHBondContact NH2-OE2 3.08Å; R827-E830 WeakPolarHBondContact O-CB 3.37Å; R827-E830 WeakPolarHBondContact O-CG 2.94Å; R827-E830 PolarHBondContact O-N 3.48Å
828	C	81.6	Confident	80.7	Confident	16 Å²	16	78.8 Å²	78.8	11%	0.108	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-56.6	-32.4	-175.1	53.5	0	0	0	0	112.5	F824 E830 L831 V834	F824-C828 HydrophobicContact CZ-CB 4.47Å; F824-C828 WeakPolarHBondContact O-CA 3.49Å; F824-C828 WeakPolarHBondContact O-CB 3.4Å; F824-C828 PolarHBondContact O-N 3.37Å; C828-E830 PolarHBondContact O-N 3.35Å; C828-E830 VanDerWaalsContact O-N 3.07Å; C828-L831 WeakPolarHBondContact O-CB 3.31Å; C828-L831 WeakPolarHBondContact O-CG 3.47Å; C828-L831 PolarHBondContact O-N 2.93Å; C828-L831 VanDerWaalsContact O-N 3.09Å; C828-V834 WeakPolarHBondContact O-CG2 3.49Å
829	N	81.3	Confident	79	Confident	118 Å²	118	78.8 Å²	78.8	63%	0.631	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-56.9	-16.5	175.4	59.1	-48.5	0	0	0	114.7	R827 L831	R827-N829 WeakPolarHBondContact CA-OD1 3.22Å; R827-N829 PolarHBondContact O-N 3.06Å; R827-N829 VanDerWaalsContact O-N 3.09Å; R827-N829 PolarHBondContact O-OD1 3.35Å; N829-L831 VanDerWaalsContact C-N 3.35Å
830	E	82.9	Confident	77.1	Confident	86 Å²	86	74 Å²	74	40%	0.402	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-81	-11.7	177.1	-61.1	174.2	-160.5	0	0	113.6	R827 C828	R827-E830 HydrophobicContact CB-CG 4.45Å; R827-E830 WeakPolarHBondContact CG-OE1 3.49Å; R827-E830 IonicContact CZ-OE1 2.77Å; R827-E830 IonicContact CZ-OE2 4Å; R827-E830 VanDerWaalsContact CZ-OE2 3.28Å; R827-E830 VanDerWaalsContact NE-CD 3.31Å; R827-E830 IonicContact NE-OE1 2.79Å; R827-E830 PolarHBondContact NE-OE1 3.44Å; R827-E830 IonicContact NE-OE2 3.95Å; R827-E830 PolarHBondContact NE-OE2 3.5Å; R827-E830 VanDerWaalsContact NE-OE2 3.08Å; R827-E830 IonicContact NH2-OE1 2.89Å; R827-E830 IonicContact NH2-OE2 3.02Å; R827-E830 PolarHBondContact NH2-OE2 3.08Å; R827-E830 WeakPolarHBondContact O-CB 3.37Å; R827-E830 WeakPolarHBondContact O-CG 2.94Å; R827-E830 PolarHBondContact O-N 3.48Å; C828-E830 PolarHBondContact O-N 3.35Å; C828-E830 VanDerWaalsContact O-N 3.07Å
831	L	82.6	Confident	75.2	Confident	11 Å²	11	80.7 Å²	80.7	6%	0.058	40%	0.395	C	S	.	.	S	Bend	trans	-74.1	147.9	-179.4	-59.2	166.2	0	0	0	111.1	D709 F710 F712 F787 F824 C828 N829 D833 V834	D709-L831 HydrophobicContact CB-CD2 4.05Å; F710-L831 HydrophobicContact CB-CD2 3.96Å; F712-L831 HydrophobicContact CE1-CD2 4.33Å; F712-L831 HydrophobicContact CE1-CG 4.46Å; F712-L831 HydrophobicContact CZ-CD1 4.5Å; F712-L831 HydrophobicContact CZ-CD2 4.25Å; F712-L831 HydrophobicContact CZ-CG 4.47Å; F787-L831 HydrophobicContact CE2-CD1 4.49Å; F787-L831 HydrophobicContact CZ-CD1 4.23Å; F824-L831 HydrophobicContact CD2-CD1 4.29Å; F824-L831 HydrophobicContact CE2-CD1 3.63Å; F824-L831 HydrophobicContact CZ-CD1 4.45Å; C828-L831 WeakPolarHBondContact O-CB 3.31Å; C828-L831 WeakPolarHBondContact O-CG 3.47Å; C828-L831 PolarHBondContact O-N 2.93Å; C828-L831 VanDerWaalsContact O-N 3.09Å; N829-L831 VanDerWaalsContact C-N 3.35Å; L831-D833 VanDerWaalsContact C-N 3.33Å; L831-D833 PolarHBondContact O-N 3.2Å; L831-V834 HydrophobicContact CB-CG2 3.73Å; L831-V834 VanDerWaalsContact O-CG2 3.25Å; L831-V834 WeakPolarHBondContact O-CG2 3.27Å
832	Q	75.9	Confident	73.6	Confident	175 Å²	175	80.8 Å²	80.8	82%	0.818	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-29.3	179.8	-68.8	-177.5	-0.1	0	0	113.1	D709	D709-Q832 PolarHBondContact OD2-N 2.92Å
833	D	72.3	Confident	72.2	Confident	90 Å²	90	73.5 Å²	73.5	48%	0.481	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	33.1	-173.6	-81.6	-27.2	0	0	0	112.4	L831 D835 K836 H837	L831-D833 VanDerWaalsContact C-N 3.33Å; L831-D833 PolarHBondContact O-N 3.2Å; D833-D835 VanDerWaalsContact C-N 3.28Å; D833-D835 PolarHBondContact O-N 3.33Å; D833-K836 HydrophobicContact CB-CB 4.32Å; D833-K836 WeakPolarHBondContact O-CB 3.39Å; D833-K836 PolarHBondContact O-N 3.38Å; D833-H837 PolarHBondContact O-CD2 3.36Å; D833-H837 PolarHBondContact O-N 3.14Å
834	V	71.4	Confident	71	Confident	31 Å²	31	74.4 Å²	74.4	19%	0.188	38%	0.382	C	S	.	.	H	α-helix	trans	-50	-47.9	-177.2	174.5	0	0	0	0	112.2	C828 L831 K836 H837 M838	C828-V834 WeakPolarHBondContact O-CG2 3.49Å; L831-V834 HydrophobicContact CB-CG2 3.73Å; L831-V834 VanDerWaalsContact O-CG2 3.25Å; L831-V834 WeakPolarHBondContact O-CG2 3.27Å; V834-K836 PolarHBondContact O-N 3.17Å; V834-H837 PolarHBondContact O-N 3.43Å; V834-M838 HydrophobicContact CG1-CG 3.74Å; V834-M838 WeakPolarHBondContact O-CB 3.3Å; V834-M838 VanDerWaalsContact O-CG 3.25Å; V834-M838 WeakPolarHBondContact O-CG 3.45Å; V834-M838 PolarHBondContact O-N 2.87Å
835	D	67.9	Low	69.8	Low	140 Å²	140	79.6 Å²	79.6	75%	0.749	40%	0.404	S	S	*	.	H	α-helix	trans	-60.2	-34.7	-178.1	-71.3	-27.4	0	0	0	112.1	D833 A839	D833-D835 VanDerWaalsContact C-N 3.28Å; D833-D835 PolarHBondContact O-N 3.33Å; D835-A839 WeakPolarHBondContact O-CA 3.4Å; D835-A839 WeakPolarHBondContact O-CB 3.36Å; D835-A839 PolarHBondContact O-N 3.41Å
836	K	67.1	Low	68.9	Low	126 Å²	126	78.3 Å²	78.3	55%	0.548	40%	0.403	S	S	.	.	H	α-helix	trans	-74.5	-42.9	178.9	-172.8	-179.5	177.8	-176.9	0	111.2	D833 V834 M838 Q840	D833-K836 HydrophobicContact CB-CB 4.32Å; D833-K836 WeakPolarHBondContact O-CB 3.39Å; D833-K836 PolarHBondContact O-N 3.38Å; V834-K836 PolarHBondContact O-N 3.17Å; K836-M838 VanDerWaalsContact C-N 3.32Å; K836-Q840 WeakPolarHBondContact O-CG 3.27Å; K836-Q840 PolarHBondContact O-N 3.35Å
837	H	65.2	Low	68.1	Low	48 Å²	48	79.4 Å²	79.4	22%	0.222	40%	0.401	C	S	.	.	H	α-helix	trans	-67.2	-34.2	175.9	-66.3	-58.1	0	0	0	111.8	F787 I791 D833 V834	F787-H837 AromaticContact CE1-CE1 3.57Å; F787-H837 AromaticContact CE1-NE2 3.71Å; F787-H837 AromaticContact CZ-CE1 3.94Å; F787-H837 AromaticContact CZ-NE2 3.95Å; I791-H837 HydrophobicContact CD1-CB 4.42Å; D833-H837 PolarHBondContact O-CD2 3.36Å; D833-H837 PolarHBondContact O-N 3.14Å; V834-H837 PolarHBondContact O-N 3.43Å
838	M	60.6	Low	67.5	Low	48 Å²	48	82.4 Å²	82.4	24%	0.236	41%	0.413	C	S	.	.	H	α-helix	trans	-81.1	-32	176	-73.2	-71	-156.3	0	0	113.3	W825 V834 K836 Q840 R841	W825-M838 HydrophobicContact CZ3-CE 4.43Å; W825-M838 HydrophobicContact CZ3-SD 4.48Å; V834-M838 HydrophobicContact CG1-CG 3.74Å; V834-M838 WeakPolarHBondContact O-CB 3.3Å; V834-M838 VanDerWaalsContact O-CG 3.25Å; V834-M838 WeakPolarHBondContact O-CG 3.45Å; V834-M838 PolarHBondContact O-N 2.87Å; K836-M838 VanDerWaalsContact C-N 3.32Å; M838-Q840 PolarHBondContact O-N 3.45Å; M838-R841 WeakPolarHBondContact O-CB 3.4Å; M838-R841 VanDerWaalsContact O-CD 3.31Å; M838-R841 WeakPolarHBondContact O-CD 3.37Å; M838-R841 WeakPolarHBondContact O-CG 3.38Å; M838-R841 PolarHBondContact O-N 3.12Å
839	A	52.6	Low	67	Low	86 Å²	86	87.2 Å²	87.2	71%	0.711	43%	0.428	S	S	*	.	H	α-helix	trans	-67.3	-25.6	174.2	0	0	0	0	0	111.4	D835 R841	D835-A839 WeakPolarHBondContact O-CA 3.4Å; D835-A839 WeakPolarHBondContact O-CB 3.36Å; D835-A839 PolarHBondContact O-N 3.41Å; A839-R841 PolarHBondContact O-N 2.92Å; A839-R841 VanDerWaalsContact O-N 3.12Å
840	Q	49.9	Very low	66.8	Low	81 Å²	81	83.9 Å²	83.9	38%	0.379	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	28.6	165.7	-66.8	178.9	0	0	0	112.6	K836 M838 G842	K836-Q840 WeakPolarHBondContact O-CG 3.27Å; K836-Q840 PolarHBondContact O-N 3.35Å; M838-Q840 PolarHBondContact O-N 3.45Å; Q840-G842 PolarHBondContact O-N 3.2Å
841	R	52.5	Low	66.7	Low	142 Å²	142	81.6 Å²	81.6	54%	0.536	41%	0.413	S	S	.	.			trans	-58.5	87.1	166.6	-93.3	166.6	-170.5	-160	4.4	109.1	M838 A839 E843 A844	M838-R841 WeakPolarHBondContact O-CB 3.4Å; M838-R841 VanDerWaalsContact O-CD 3.31Å; M838-R841 WeakPolarHBondContact O-CD 3.37Å; M838-R841 WeakPolarHBondContact O-CG 3.38Å; M838-R841 PolarHBondContact O-N 3.12Å; A839-R841 PolarHBondContact O-N 2.92Å; A839-R841 VanDerWaalsContact O-N 3.12Å; R841-E843 PolarHBondContact O-N 3.4Å; R841-E843 VanDerWaalsContact O-N 3.15Å; R841-A844 HydrophobicContact CB-CB 4.39Å; R841-A844 PolarHBondContact O-N 3.02Å
842	G	54.8	Low	66.7	Low	3 Å²	3	81.1 Å²	81.1	3%	0.031	41%	0.411	C	S	.	.	H	α-helix	trans	-50	-31.6	163.1	0	0	0	0	0	110.5	E795 Q840 A844 K845 I846	E795-G842 WeakPolarHBondContact O-CA 3.27Å; Q840-G842 PolarHBondContact O-N 3.2Å; G842-A844 VanDerWaalsContact C-N 3.32Å; G842-A844 PolarHBondContact O-N 3.22Å; G842-K845 CarbonylContact O-C 3.56Å; G842-K845 WeakPolarHBondContact O-CA 3.5Å; G842-K845 WeakPolarHBondContact O-CB 3.31Å; G842-K845 PolarHBondContact O-N 3.32Å; G842-I846 WeakPolarHBondContact O-CB 3.11Å; G842-I846 WeakPolarHBondContact O-CG1 3.38Å; G842-I846 PolarHBondContact O-N 3.39Å
843	E	59.8	Low	67.1	Low	46 Å²	46	78.5 Å²	78.5	22%	0.215	40%	0.397	C	S	.	.	H	α-helix	trans	-51.6	-43.6	170.3	-75.6	-174.6	174.4	0	0	113.9	R799 R841 K845 I846 Q847	R799-E843 WeakPolarHBondContact CD-OE1 3.49Å; R799-E843 WeakPolarHBondContact CG-OE1 3.25Å; R799-E843 IonicContact NE-OE1 3.5Å; R841-E843 PolarHBondContact O-N 3.4Å; R841-E843 VanDerWaalsContact O-N 3.15Å; E843-K845 VanDerWaalsContact C-N 3.32Å; E843-K845 PolarHBondContact O-N 3.48Å; E843-I846 PolarHBondContact O-N 3.3Å; E843-Q847 WeakPolarHBondContact O-CB 3.47Å; E843-Q847 WeakPolarHBondContact O-CG 3.26Å; E843-Q847 PolarHBondContact O-N 2.82Å
844	A	62.8	Low	67.7	Low	57 Å²	57	82.1 Å²	82.1	47%	0.471	40%	0.404	S	S	.	.	H	α-helix	trans	-66.9	-37.7	178.4	0	0	0	0	0	110.9	R841 G842 R848	R841-A844 HydrophobicContact CB-CB 4.39Å; R841-A844 PolarHBondContact O-N 3.02Å; G842-A844 VanDerWaalsContact C-N 3.32Å; G842-A844 PolarHBondContact O-N 3.22Å; A844-R848 WeakPolarHBondContact O-CB 3.46Å; A844-R848 PolarHBondContact O-N 2.94Å
845	K	65	Low	68.4	Low	118 Å²	118	81.1 Å²	81.1	51%	0.513	40%	0.398	S	S	.	.	H	α-helix	trans	-67.9	-41.1	173.2	-71.4	179	-174.2	164	0	111.8	E795 G842 E843 R848 R849	E795-K845 IonicContact OE1-NZ 3.94Å; E795-K845 PolarHBondContact OE1-NZ 2.92Å; G842-K845 CarbonylContact O-C 3.56Å; G842-K845 WeakPolarHBondContact O-CA 3.5Å; G842-K845 WeakPolarHBondContact O-CB 3.31Å; G842-K845 PolarHBondContact O-N 3.32Å; E843-K845 VanDerWaalsContact C-N 3.32Å; E843-K845 PolarHBondContact O-N 3.48Å; K845-R848 PolarHBondContact O-N 3.34Å; K845-R849 WeakPolarHBondContact O-CB 3.29Å; K845-R849 VanDerWaalsContact O-CG 3.23Å; K845-R849 WeakPolarHBondContact O-CG 3.31Å; K845-R849 PolarHBondContact O-N 3.37Å
846	I	66.5	Low	69.4	Low	63 Å²	63	74.5 Å²	74.5	32%	0.323	36%	0.363	S	S	.	.	H	α-helix	trans	-66.7	-48.6	178.6	-68.4	162.9	0	0	0	109.6	G842 E843 R848 R849 A850	G842-I846 WeakPolarHBondContact O-CB 3.11Å; G842-I846 WeakPolarHBondContact O-CG1 3.38Å; G842-I846 PolarHBondContact O-N 3.39Å; E843-I846 PolarHBondContact O-N 3.3Å; I846-R848 VanDerWaalsContact C-N 3.32Å; I846-R848 PolarHBondContact O-N 2.79Å; I846-R849 WeakPolarHBondContact O-CB 3.39Å; I846-R849 PolarHBondContact O-N 2.87Å; I846-A850 WeakPolarHBondContact O-CB 3.3Å; I846-A850 PolarHBondContact O-N 3.39Å
847	Q	69.8	Low	70.4	Confident	131 Å²	131	71.8 Å²	71.8	61%	0.612	35%	0.354	S	S	*	.	H	α-helix	trans	-60.9	-41.3	173.7	-73.5	177.5	9.6	0	0	111	E843 A850 A851	E843-Q847 WeakPolarHBondContact O-CB 3.47Å; E843-Q847 WeakPolarHBondContact O-CG 3.26Å; E843-Q847 PolarHBondContact O-N 2.82Å; Q847-A850 PolarHBondContact O-N 3.34Å; Q847-A851 WeakPolarHBondContact O-CB 3.22Å; Q847-A851 PolarHBondContact O-N 2.96Å
848	R	74	Confident	71.5	Confident	115 Å²	115	73.1 Å²	73.1	43%	0.434	36%	0.363	S	S	.	.	H	α-helix	trans	-62.8	-46.3	174.1	-174.6	66.2	176.7	167.5	7.4	111.1	A844 K845 I846 A850 A851 V852 E944	A844-R848 WeakPolarHBondContact O-CB 3.46Å; A844-R848 PolarHBondContact O-N 2.94Å; K845-R848 PolarHBondContact O-N 3.34Å; I846-R848 VanDerWaalsContact C-N 3.32Å; I846-R848 PolarHBondContact O-N 2.79Å; R848-A850 VanDerWaalsContact C-N 3.34Å; R848-A850 PolarHBondContact O-N 3.02Å; R848-A851 PolarHBondContact O-N 3.42Å; R848-V852 HydrophobicContact CG-CG2 4.38Å; R848-V852 WeakPolarHBondContact O-CB 3.37Å; R848-V852 VanDerWaalsContact O-CG2 3.22Å; R848-V852 WeakPolarHBondContact O-CG2 3.46Å; R848-V852 PolarHBondContact O-N 3.5Å; R848-E944 IonicContact CZ-OE1 2.78Å; R848-E944 IonicContact CZ-OE2 3.15Å; R848-E944 IonicContact NH1-OE1 2.97Å; R848-E944 PolarHBondContact NH1-OE1 3.48Å; R848-E944 IonicContact NH1-OE2 2.95Å; R848-E944 PolarHBondContact NH1-OE2 3.47Å; R848-E944 IonicContact NH2-OE1 3.32Å; R848-E944 IonicContact NH2-OE2 3.46Å; R848-E944 PolarHBondContact NH2-OE2 3.46Å
849	R	72.7	Confident	72.8	Confident	116 Å²	116	70.9 Å²	70.9	44%	0.438	35%	0.352	S	S	.	.	H	α-helix	trans	-58.1	-45.8	175.5	-76.6	170.6	176.3	-172.9	-4.6	111.1	K845 I846 K853 F899	K845-R849 WeakPolarHBondContact O-CB 3.29Å; K845-R849 VanDerWaalsContact O-CG 3.23Å; K845-R849 WeakPolarHBondContact O-CG 3.31Å; K845-R849 PolarHBondContact O-N 3.37Å; I846-R849 WeakPolarHBondContact O-CB 3.39Å; I846-R849 PolarHBondContact O-N 2.87Å; R849-K853 WeakPolarHBondContact O-CB 3.32Å; R849-K853 PolarHBondContact O-N 3.17Å; R849-F899 HydrophobicContact CG-CD1 4.41Å; R849-F899 HydrophobicContact CG-CE1 4.04Å
850	A	76.7	Confident	74.4	Confident	48 Å²	48	67.5 Å²	67.5	40%	0.397	32%	0.321	S	S	.	.	H	α-helix	trans	-66.1	-41.3	177.6	0	0	0	0	0	112.7	I846 Q847 R848 K853 R854	I846-A850 WeakPolarHBondContact O-CB 3.3Å; I846-A850 PolarHBondContact O-N 3.39Å; Q847-A850 PolarHBondContact O-N 3.34Å; R848-A850 VanDerWaalsContact C-N 3.34Å; R848-A850 PolarHBondContact O-N 3.02Å; A850-K853 PolarHBondContact O-N 3.19Å; A850-R854 WeakPolarHBondContact O-CB 3.35Å; A850-R854 PolarHBondContact O-N 3.25Å
851	A	81	Confident	76.2	Confident	38 Å²	38	67.8 Å²	67.8	31%	0.314	34%	0.337	S	S	.	.	H	α-helix	trans	-65.3	-45.3	177.3	0	0	0	0	0	111.6	Q847 R848 R854 A855	Q847-A851 WeakPolarHBondContact O-CB 3.22Å; Q847-A851 PolarHBondContact O-N 2.96Å; R848-A851 PolarHBondContact O-N 3.42Å; A851-R854 PolarHBondContact O-N 3.29Å; A851-A855 VanDerWaalsContact O-CB 3.31Å; A851-A855 WeakPolarHBondContact O-CB 3.29Å; A851-A855 PolarHBondContact O-N 2.55Å
852	V	83	Confident	77.9	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.012	33%	0.332	C	S	.	.	H	α-helix	trans	-62.6	-45.5	176.4	170.6	0	0	0	0	110.7	R848 R854 A855 L856 F899 I940	R848-V852 HydrophobicContact CG-CG2 4.38Å; R848-V852 WeakPolarHBondContact O-CB 3.37Å; R848-V852 VanDerWaalsContact O-CG2 3.22Å; R848-V852 WeakPolarHBondContact O-CG2 3.46Å; R848-V852 PolarHBondContact O-N 3.5Å; V852-R854 PolarHBondContact O-N 3.06Å; V852-A855 PolarHBondContact O-N 2.66Å; V852-L856 HydrophobicContact CG1-CD1 3.89Å; V852-L856 HydrophobicContact CG1-CG 4.4Å; V852-L856 VanDerWaalsContact O-CG 3.29Å; V852-L856 WeakPolarHBondContact O-CG 3.01Å; V852-L856 PolarHBondContact O-N 2.69Å; V852-F899 HydrophobicContact CB-CD1 4.46Å; V852-F899 HydrophobicContact CB-CE1 4.29Å; V852-F899 HydrophobicContact CG1-CD1 4.07Å; V852-F899 HydrophobicContact CG1-CD2 4.23Å; V852-F899 HydrophobicContact CG1-CE1 4.09Å; V852-F899 HydrophobicContact CG1-CE2 4.23Å; V852-F899 HydrophobicContact CG1-CG 4.15Å; V852-F899 HydrophobicContact CG1-CZ 4.17Å; V852-I940 HydrophobicContact CB-CG2 4.31Å; V852-I940 HydrophobicContact CG1-CD1 3.82Å; V852-I940 HydrophobicContact CG1-CG1 4.17Å; V852-I940 HydrophobicContact CG1-CG2 3.86Å; V852-I940 HydrophobicContact CG2-CG2 3.65Å
853	K	83.9	Confident	79.5	Confident	119 Å²	119	68.9 Å²	68.9	52%	0.517	34%	0.341	S	S	.	.	H	α-helix	trans	-57.2	-50.5	175.5	-176.3	175.3	-179.9	175.8	0	111.1	R849 A850 A855 L856 D857	R849-K853 WeakPolarHBondContact O-CB 3.32Å; R849-K853 PolarHBondContact O-N 3.17Å; A850-K853 PolarHBondContact O-N 3.19Å; K853-A855 VanDerWaalsContact C-N 3.34Å; K853-A855 PolarHBondContact O-N 3.23Å; K853-L856 PolarHBondContact O-N 2.96Å; K853-D857 WeakPolarHBondContact O-CB 3.38Å; K853-D857 VanDerWaalsContact O-CG 3.27Å; K853-D857 PolarHBondContact O-N 2.75Å
854	R	84.7	Confident	80.7	Confident	167 Å²	167	78.6 Å²	78.6	63%	0.63	38%	0.376	S	S	*	.	H	α-helix	trans	-59.4	-43	177.3	-171.4	-172.7	-63.5	151.1	-0.3	112.4	A850 A851 V852 D857 L858	A850-R854 WeakPolarHBondContact O-CB 3.35Å; A850-R854 PolarHBondContact O-N 3.25Å; A851-R854 PolarHBondContact O-N 3.29Å; V852-R854 PolarHBondContact O-N 3.06Å; R854-D857 PolarHBondContact O-N 2.66Å; R854-L858 HydrophobicContact CG-CD1 4.11Å; R854-L858 WeakPolarHBondContact O-CB 3.43Å; R854-L858 WeakPolarHBondContact O-CG 3.47Å; R854-L858 PolarHBondContact O-N 2.92Å
855	A	86.8	Confident	81.9	Confident	9 Å²	9	77.6 Å²	77.6	7%	0.074	37%	0.368	C	S	.	.	H	α-helix	trans	-62.9	-44	178.5	0	0	0	0	0	111.4	A851 V852 K853 K859 I943 E944 I947	A851-A855 VanDerWaalsContact O-CB 3.31Å; A851-A855 WeakPolarHBondContact O-CB 3.29Å; A851-A855 PolarHBondContact O-N 2.55Å; V852-A855 PolarHBondContact O-N 2.66Å; K853-A855 VanDerWaalsContact C-N 3.34Å; K853-A855 PolarHBondContact O-N 3.23Å; A855-K859 VanDerWaalsContact O-CB 3.28Å; A855-K859 WeakPolarHBondContact O-CB 3.31Å; A855-K859 PolarHBondContact O-N 3.43Å; A855-I943 HydrophobicContact CB-CG2 4.49Å; A855-E944 HydrophobicContact CB-CG 3.99Å; A855-I947 HydrophobicContact CB-CD1 3.79Å; A855-I947 VanDerWaalsContact O-CD1 3.26Å; A855-I947 WeakPolarHBondContact O-CD1 3.3Å
856	L	87.9	Confident	83	Confident	2 Å²	2	73.4 Å²	73.4	1%	0.01	35%	0.352	C	S	.	.	H	α-helix	trans	-66.1	-44.8	176	-65.7	171.3	0	0	0	111.3	V852 K853 L858 K859 M860 I891 I943	V852-L856 HydrophobicContact CG1-CD1 3.89Å; V852-L856 HydrophobicContact CG1-CG 4.4Å; V852-L856 VanDerWaalsContact O-CG 3.29Å; V852-L856 WeakPolarHBondContact O-CG 3.01Å; V852-L856 PolarHBondContact O-N 2.69Å; K853-L856 PolarHBondContact O-N 2.96Å; L856-L858 PolarHBondContact O-N 3.36Å; L856-K859 PolarHBondContact O-N 3.13Å; L856-M860 WeakPolarHBondContact O-CB 3.45Å; L856-M860 WeakPolarHBondContact O-CG 3.42Å; L856-M860 PolarHBondContact O-N 3.46Å; L856-I891 HydrophobicContact CD2-CD1 4.21Å; L856-I891 HydrophobicContact CD2-CG2 3.83Å; L856-I943 HydrophobicContact CD2-CD1 4.07Å
857	D	87.9	Confident	84.1	Confident	68 Å²	68	73.9 Å²	73.9	36%	0.364	35%	0.352	S	S	.	.	H	α-helix	trans	-58.3	-48.5	177.2	-71.5	-29.3	0	0	0	111.8	K853 R854 K859 M860 A861 H895	K853-D857 WeakPolarHBondContact O-CB 3.38Å; K853-D857 VanDerWaalsContact O-CG 3.27Å; K853-D857 PolarHBondContact O-N 2.75Å; R854-D857 PolarHBondContact O-N 2.66Å; D857-K859 VanDerWaalsContact C-N 3.31Å; D857-K859 PolarHBondContact O-N 2.88Å; D857-M860 PolarHBondContact O-N 3.39Å; D857-A861 VanDerWaalsContact O-CB 3.31Å; D857-A861 WeakPolarHBondContact O-CB 3.32Å; D857-A861 PolarHBondContact O-N 3.14Å; D857-H895 IonicContact OD1-CD2 2.73Å; D857-H895 IonicContact OD1-CE1 3.93Å; D857-H895 IonicContact OD1-NE2 2.98Å; D857-H895 PolarHBondContact OD1-NE2 3.46Å
858	L	87.9	Confident	85	Confident	76 Å²	76	74.9 Å²	74.9	40%	0.398	36%	0.356	S	S	.	.	H	α-helix	trans	-61.8	-39	176.5	-77	170.4	0	0	0	112.1	R854 L856 R862 I947	R854-L858 HydrophobicContact CG-CD1 4.11Å; R854-L858 WeakPolarHBondContact O-CB 3.43Å; R854-L858 WeakPolarHBondContact O-CG 3.47Å; R854-L858 PolarHBondContact O-N 2.92Å; L856-L858 PolarHBondContact O-N 3.36Å; L858-R862 WeakPolarHBondContact O-CG 3.26Å; L858-I947 HydrophobicContact CB-CD1 4.22Å; L858-I947 HydrophobicContact CD1-CG2 4.42Å
859	K	87.6	Confident	85.7	Confident	1 Å²	1	73.8 Å²	73.8	0%	0.004	36%	0.356	C	S	.	.	H	α-helix	trans	-68.8	-42.6	177.7	-174.4	69.9	-179.1	-170.2	0	111.3	A855 L856 D857 Y863 L870 R871 I943 E946	A855-K859 VanDerWaalsContact O-CB 3.28Å; A855-K859 WeakPolarHBondContact O-CB 3.31Å; A855-K859 PolarHBondContact O-N 3.43Å; L856-K859 PolarHBondContact O-N 3.13Å; D857-K859 VanDerWaalsContact C-N 3.31Å; D857-K859 PolarHBondContact O-N 2.88Å; K859-Y863 HydrophobicContact CD-CE2 4.46Å; K859-Y863 VanDerWaalsContact O-CD2 3.3Å; K859-Y863 WeakPolarHBondContact O-CD2 3.2Å; K859-L870 HydrophobicContact CG-CD1 4.02Å; K859-L870 HydrophobicContact CG-CG 4.48Å; K859-R871 VanDerWaalsContact CE-O 3.25Å; K859-R871 WeakPolarHBondContact CE-O 3.4Å; K859-R871 PolarHBondContact NZ-O 3.19Å; K859-I943 HydrophobicContact CB-CG2 3.82Å; K859-I943 HydrophobicContact CD-CG2 4.17Å; K859-I943 HydrophobicContact CG-CD1 4.37Å; K859-I943 HydrophobicContact CG-CG1 4.41Å; K859-I943 HydrophobicContact CG-CG2 3.96Å; K859-E946 IonicContact NZ-OE1 3.73Å; K859-E946 PolarHBondContact NZ-OE1 2.89Å; K859-E946 IonicContact NZ-OE2 3.08Å; K859-E946 PolarHBondContact NZ-OE2 2.91Å
860	M	87.2	Confident	86.5	Confident	16 Å²	16	68.3 Å²	68.3	8%	0.079	34%	0.335	C	S	.	.	H	α-helix	trans	-64.9	-43.6	177.9	-69.1	-60.7	137.5	0	0	111.5	L856 D857 R862 Y863 P866 L870 I891 H895	L856-M860 WeakPolarHBondContact O-CB 3.45Å; L856-M860 WeakPolarHBondContact O-CG 3.42Å; L856-M860 PolarHBondContact O-N 3.46Å; D857-M860 PolarHBondContact O-N 3.39Å; M860-R862 PolarHBondContact O-N 3.44Å; M860-Y863 PolarHBondContact O-N 2.96Å; M860-Y863 VanDerWaalsContact O-O 3.12Å; M860-P866 HydrophobicContact SD-CB 3.47Å; M860-P866 WeakPolarHBondContact SD-CB 3.39Å; M860-P866 HydrophobicContact SD-CG 3.94Å; M860-L870 HydrophobicContact CE-CD1 3.19Å; M860-L870 HydrophobicContact SD-CD1 3.83Å; M860-I891 HydrophobicContact CE-CG2 3.64Å; M860-H895 HydrophobicContact CE-CB 4.49Å; M860-H895 HydrophobicContact CG-CB 4.5Å
861	A	88.2	Confident	87.1	Confident	86 Å²	86	74.2 Å²	74.2	71%	0.711	35%	0.348	S	S	*	.	H	α-helix	trans	-60.8	-20	-177.9	0	0	0	0	0	114.2	D857 Y863	D857-A861 VanDerWaalsContact O-CB 3.31Å; D857-A861 WeakPolarHBondContact O-CB 3.32Å; D857-A861 PolarHBondContact O-N 3.14Å; A861-Y863 VanDerWaalsContact C-N 3.28Å; A861-Y863 PolarHBondContact O-N 3.33Å
862	R	87.5	Confident	87.4	Confident	113 Å²	113	72.8 Å²	72.8	43%	0.426	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-16	177.1	-70.2	174	-176.9	-177.5	0.8	114.1	L858 M860 E946 L950	L858-R862 WeakPolarHBondContact O-CG 3.26Å; M860-R862 PolarHBondContact O-N 3.44Å; R862-E946 IonicContact NH1-OE1 2.97Å; R862-E946 PolarHBondContact NH1-OE1 3.26Å; R862-L950 VanDerWaalsContact CZ-CD1 3.46Å; R862-L950 VanDerWaalsContact NH2-CD1 3.28Å
863	Y	88.7	Confident	87.4	Confident	55 Å²	55	78.6 Å²	78.6	22%	0.216	36%	0.361	C	S	.	.			trans	-123.5	129.7	-174.3	-58.9	-81.8	0	0	0	109.9	K859 M860 A861 A865 Q869 L870 R871	K859-Y863 HydrophobicContact CD-CE2 4.46Å; K859-Y863 VanDerWaalsContact O-CD2 3.3Å; K859-Y863 WeakPolarHBondContact O-CD2 3.2Å; M860-Y863 PolarHBondContact O-N 2.96Å; M860-Y863 VanDerWaalsContact O-O 3.12Å; A861-Y863 VanDerWaalsContact C-N 3.28Å; A861-Y863 PolarHBondContact O-N 3.33Å; Y863-A865 VanDerWaalsContact C-N 3.3Å; Y863-A865 PolarHBondContact O-N 3Å; Y863-Q869 HydrophobicContact CD1-CB 3.74Å; Y863-Q869 WeakPolarHBondContact CD1-O 3.43Å; Y863-Q869 VanDerWaalsContact CE1-O 3.27Å; Y863-Q869 WeakPolarHBondContact CE1-O 3.45Å; Y863-Q869 HydrophobicContact CG-CB 4.3Å; Y863-L870 HydrophobicContact CD2-CB 4.02Å; Y863-L870 HydrophobicContact CD2-CD1 4.44Å; Y863-L870 HydrophobicContact CD2-CG 4.13Å; Y863-L870 HydrophobicContact CE2-CB 4.19Å; Y863-L870 HydrophobicContact CE2-CG 3.99Å; Y863-L870 HydrophobicContact CG-CB 4.38Å; Y863-R871 PolarHBondContact OH-N 3.47Å
864	R	84.3	Confident	87.4	Confident	251 Å²	251	73.7 Å²	73.7	95%	0.947	34%	0.34	S	S	*	.	S	Bend	trans	-66.4	-35.1	175.8	-71.9	-173.9	179.5	-173.3	0.1	111.8
865	A	88.9	Confident	86.8	Confident	36 Å²	36	69 Å²	69	30%	0.298	34%	0.343	S	S	.	.	S	Bend	trans	-127.6	80.1	177.4	0	0	0	0	0	110.7	Y863 F867 H868 Q869	Y863-A865 VanDerWaalsContact C-N 3.3Å; Y863-A865 PolarHBondContact O-N 3Å; A865-F867 VanDerWaalsContact C-N 3.33Å; A865-F867 PolarHBondContact O-N 2.99Å; A865-H868 PolarHBondContact O-N 3.24Å; A865-Q869 HydrophobicContact CB-CG 4.29Å; A865-Q869 WeakPolarHBondContact O-CB 3.21Å; A865-Q869 PolarHBondContact O-N 2.93Å
866	P	88.9	Confident	86	Confident	29 Å²	29	75.2 Å²	75.2	19%	0.188	38%	0.38	C	S	.	.	H	α-helix	trans	-56.3	-40.4	-171.2	-27	34.5	0	0	0	114.5	M860 H868 Q869 L870	M860-P866 HydrophobicContact SD-CB 3.47Å; M860-P866 WeakPolarHBondContact SD-CB 3.39Å; M860-P866 HydrophobicContact SD-CG 3.94Å; P866-H868 PolarHBondContact O-N 3.29Å; P866-H868 VanDerWaalsContact O-N 3.11Å; P866-Q869 PolarHBondContact O-N 3.49Å; P866-L870 HydrophobicContact CB-CB 4.47Å; P866-L870 HydrophobicContact CB-CD1 4.45Å; P866-L870 WeakPolarHBondContact O-CB 3.27Å; P866-L870 PolarHBondContact O-N 3.09Å
867	F	89.5	Confident	84.7	Confident	74 Å²	74	79.8 Å²	79.8	33%	0.325	41%	0.405	S	S	.	.	H	α-helix	trans	-59.4	-23.4	178	-79.5	-83.4	0	0	0	114.4	A865 R888 F889 C892 M893	A865-F867 VanDerWaalsContact C-N 3.33Å; A865-F867 PolarHBondContact O-N 2.99Å; F867-R888 WeakPolarHBondContact O-CD 3.29Å; F867-F889 HydrophobicContact CD1-CD2 4.1Å; F867-F889 AromaticContact CE1-CD2 3.88Å; F867-F889 HydrophobicContact CE1-CD2 3.88Å; F867-F889 HydrophobicContact CE1-CE2 4.21Å; F867-C892 HydrophobicContact CD1-CB 3.6Å; F867-C892 HydrophobicContact CD2-CB 4Å; F867-C892 HydrophobicContact CE1-CB 3.34Å; F867-C892 HydrophobicContact CE2-CB 3.76Å; F867-C892 HydrophobicContact CG-CB 3.93Å; F867-C892 HydrophobicContact CZ-CB 3.43Å; F867-C892 VanDerWaalsContact CZ-CB 3.43Å; F867-M893 HydrophobicContact CE1-CE 4.18Å; F867-M893 HydrophobicContact CZ-CE 4.17Å
868	H	87.5	Confident	83.2	Confident	152 Å²	152	82.2 Å²	82.2	70%	0.704	41%	0.412	S	S	*	.	H	α-helix	trans	-111.5	-21.7	-178.7	-61.1	92.5	0	0	0	113.4	A865 P866 R888	A865-H868 PolarHBondContact O-N 3.24Å; P866-H868 PolarHBondContact O-N 3.29Å; P866-H868 VanDerWaalsContact O-N 3.11Å; H868-R888 VanDerWaalsContact C-NH1 3.26Å; H868-R888 PolarHBondContact O-NH1 3.2Å
869	Q	88.3	Confident	81.9	Confident	92 Å²	92	80.2 Å²	80.2	43%	0.43	41%	0.41	S	S	.	.	H	α-helix	trans	-115	-22.8	-169.1	-63.1	177	-22.9	0	0	113.8	Y863 A865 P866 R871	Y863-Q869 HydrophobicContact CD1-CB 3.74Å; Y863-Q869 WeakPolarHBondContact CD1-O 3.43Å; Y863-Q869 VanDerWaalsContact CE1-O 3.27Å; Y863-Q869 WeakPolarHBondContact CE1-O 3.45Å; Y863-Q869 HydrophobicContact CG-CB 4.3Å; A865-Q869 HydrophobicContact CB-CG 4.29Å; A865-Q869 WeakPolarHBondContact O-CB 3.21Å; A865-Q869 PolarHBondContact O-N 2.93Å; P866-Q869 PolarHBondContact O-N 3.49Å; Q869-R871 PolarHBondContact O-N 2.95Å
870	L	90.7	Very high	81.1	Confident	0 Å²	0	90.2 Å²	90.2	0%	0	45%	0.454	C	S	.	.			trans	-65.3	119.8	-172	-177.7	156.2	0	0	0	110.9	K859 M860 Y863 P866 I872 R888	K859-L870 HydrophobicContact CG-CD1 4.02Å; K859-L870 HydrophobicContact CG-CG 4.48Å; M860-L870 HydrophobicContact CE-CD1 3.19Å; M860-L870 HydrophobicContact SD-CD1 3.83Å; Y863-L870 HydrophobicContact CD2-CB 4.02Å; Y863-L870 HydrophobicContact CD2-CD1 4.44Å; Y863-L870 HydrophobicContact CD2-CG 4.13Å; Y863-L870 HydrophobicContact CE2-CB 4.19Å; Y863-L870 HydrophobicContact CE2-CG 3.99Å; Y863-L870 HydrophobicContact CG-CB 4.38Å; P866-L870 HydrophobicContact CB-CB 4.47Å; P866-L870 HydrophobicContact CB-CD1 4.45Å; P866-L870 WeakPolarHBondContact O-CB 3.27Å; P866-L870 PolarHBondContact O-N 3.09Å; L870-I872 HydrophobicContact CD2-CD1 4.19Å; L870-I872 HydrophobicContact CD2-CG1 3.6Å; L870-R888 HydrophobicContact CB-CG 4.15Å; L870-R888 HydrophobicContact CD2-CG 4.4Å; L870-R888 PolarHBondContact O-NE 2.98Å; L870-R888 PolarHBondContact O-NH2 3.15Å
871	R	88	Confident	80.8	Confident	173 Å²	173	94.9 Å²	94.9	65%	0.653	48%	0.479	S	S	*	.			trans	-104.4	140.3	175.3	-64.2	-169.7	177.7	-150.7	-1.1	110.8	K859 Y863 Q869	K859-R871 VanDerWaalsContact CE-O 3.25Å; K859-R871 WeakPolarHBondContact CE-O 3.4Å; K859-R871 PolarHBondContact NZ-O 3.19Å; Y863-R871 PolarHBondContact OH-N 3.47Å; Q869-R871 PolarHBondContact O-N 2.95Å
872	I	87.1	Confident	80.7	Confident	8 Å²	8	92.3 Å²	92.3	4%	0.041	45%	0.451	C	S	.	.			trans	-109.7	127.3	179.6	-56.6	176.9	0	0	0	108.4	L870 Y874 D887 L939 L942	L870-I872 HydrophobicContact CD2-CD1 4.19Å; L870-I872 HydrophobicContact CD2-CG1 3.6Å; I872-Y874 HydrophobicContact CB-CE1 4.4Å; I872-Y874 HydrophobicContact CB-CE2 4.23Å; I872-Y874 HydrophobicContact CG2-CD1 4.4Å; I872-Y874 HydrophobicContact CG2-CE1 4.13Å; I872-Y874 VanDerWaalsContact O-CD2 3.22Å; I872-Y874 WeakPolarHBondContact O-CD2 3.39Å; I872-Y874 WeakPolarHBondContact O-CE2 3.41Å; I872-Y874 PolarHBondContact O-N 3.39Å; I872-D887 HydrophobicContact CD1-CB 3.8Å; I872-L939 HydrophobicContact CD1-CD2 4.07Å; I872-L939 HydrophobicContact CG2-CD2 4.38Å; I872-L942 HydrophobicContact CG2-CB 4.49Å; I872-L942 HydrophobicContact CG2-CD1 4.36Å
873	Q	84.3	Confident	80.8	Confident	123 Å²	123	91 Å²	91	58%	0.575	46%	0.455	S	S	*	.			trans	-86.3	102.9	177	-167	169.4	5.5	0	0	110
874	Y	83.4	Confident	80.8	Confident	17 Å²	17	90.9 Å²	90.9	7%	0.067	46%	0.457	C	S	.	.			trans	-76.8	-20.8	-173.3	-64.5	-79.4	0	0	0	115.1	I872 T876 N877 K878 E884 D887 L939 L942	I872-Y874 HydrophobicContact CB-CE1 4.4Å; I872-Y874 HydrophobicContact CB-CE2 4.23Å; I872-Y874 HydrophobicContact CG2-CD1 4.4Å; I872-Y874 HydrophobicContact CG2-CE1 4.13Å; I872-Y874 VanDerWaalsContact O-CD2 3.22Å; I872-Y874 WeakPolarHBondContact O-CD2 3.39Å; I872-Y874 WeakPolarHBondContact O-CE2 3.41Å; I872-Y874 PolarHBondContact O-N 3.39Å; Y874-T876 PolarHBondContact O-N 3.5Å; Y874-N877 PolarHBondContact O-N 2.8Å; Y874-K878 HydrophobicContact CD1-CB 4.33Å; Y874-K878 HydrophobicContact CD1-CG 4.06Å; Y874-K878 HydrophobicContact CD2-CD 4.03Å; Y874-K878 HydrophobicContact CD2-CG 3.97Å; Y874-K878 HydrophobicContact CE2-CD 4.48Å; Y874-K878 HydrophobicContact CE2-CG 4.46Å; Y874-K878 HydrophobicContact CG-CB 3.94Å; Y874-K878 HydrophobicContact CG-CD 4.28Å; Y874-K878 HydrophobicContact CG-CG 3.75Å; Y874-E884 HydrophobicContact CE2-CB 4.45Å; Y874-E884 HydrophobicContact CE2-CG 4.2Å; Y874-E884 WeakPolarHBondContact OH-CA 3.49Å; Y874-D887 WeakPolarHBondContact CE1-OD2 3.47Å; Y874-D887 PolarHBondContact OH-OD2 2.91Å; Y874-L939 HydrophobicContact CE1-CD2 4.3Å; Y874-L942 HydrophobicContact CD1-CD1 4.12Å
875	G	72.7	Confident	81	Confident	68 Å²	68	84.3 Å²	84.3	70%	0.701	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	-137.6	-168.1	0	0	0	0	0	111.3	N877	G875-N877 PolarHBondContact O-N 2.99Å
876	T	69.4	Low	81.1	Confident	139 Å²	139	83.2 Å²	83.2	85%	0.853	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-4.5	174.4	47.7	0	0	0	0	114	Y874	Y874-T876 PolarHBondContact O-N 3.5Å
877	N	59.9	Low	81.3	Confident	98 Å²	98	81.9 Å²	81.9	52%	0.524	42%	0.417	S	S	.	.			trans	-105.6	27.8	-168.1	-73.6	-16.8	0	0	0	114.2	Y874 G875 G879	Y874-N877 PolarHBondContact O-N 2.8Å; G875-N877 PolarHBondContact O-N 2.99Å; N877-G879 PolarHBondContact O-N 2.63Å
878	K	58	Low	81.5	Confident	120 Å²	120	80.2 Å²	80.2	52%	0.522	41%	0.408	S	S	.	.			trans	-71.1	77.7	173.4	-161.3	178.5	-175.7	180	0	109.5	Y874 K880	Y874-K878 HydrophobicContact CD1-CB 4.33Å; Y874-K878 HydrophobicContact CD1-CG 4.06Å; Y874-K878 HydrophobicContact CD2-CD 4.03Å; Y874-K878 HydrophobicContact CD2-CG 3.97Å; Y874-K878 HydrophobicContact CE2-CD 4.48Å; Y874-K878 HydrophobicContact CE2-CG 4.46Å; Y874-K878 HydrophobicContact CG-CB 3.94Å; Y874-K878 HydrophobicContact CG-CD 4.28Å; Y874-K878 HydrophobicContact CG-CG 3.75Å; K878-K880 PolarHBondContact O-N 3Å
879	G	60.6	Low	81.8	Confident	34 Å²	34	73.5 Å²	73.5	35%	0.351	38%	0.377	S	S	.	.			trans	-50.7	133.3	178.8	0	0	0	0	0	110.7	N877 N881	N877-G879 PolarHBondContact O-N 2.63Å; G879-N881 PolarHBondContact O-N 2.85Å
880	K	69.4	Low	82.1	Confident	211 Å²	211	69.1 Å²	69.1	92%	0.917	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-11	-168	-70.2	-175.4	176.4	-178.8	0	115.5	K878	K878-K880 PolarHBondContact O-N 3Å
881	N	81.6	Confident	82.2	Confident	114 Å²	114	69.1 Å²	69.1	61%	0.61	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-22.7	-164.4	-60.3	-8	0	0	0	114.6	G879 F923	G879-N881 PolarHBondContact O-N 2.85Å; N881-F923 HydrophobicContact CB-CE1 4.46Å; N881-F923 HydrophobicContact CB-CE2 4.3Å; N881-F923 HydrophobicContact CB-CZ 3.76Å; N881-F923 WeakPolarHBondContact O-CE1 3.5Å; N881-F923 WeakPolarHBondContact O-CZ 3.49Å
882	Y	87	Confident	82.5	Confident	31 Å²	31	61 Å²	61	12%	0.122	33%	0.327	C	S	.	.			trans	-112.8	133.8	-176.5	-70.5	-92	0	0	0	110.3	E886 L890 F923 L924 R935	Y882-E886 WeakPolarHBondContact CA-OE2 3.22Å; Y882-E886 WeakPolarHBondContact CD1-OE2 3.41Å; Y882-L890 HydrophobicContact CE1-CD1 4.44Å; Y882-F923 AromaticContact CD1-CE1 3.89Å; Y882-F923 HydrophobicContact CD1-CE1 3.89Å; Y882-F923 HydrophobicContact CD2-CE1 4.42Å; Y882-F923 HydrophobicContact CD2-CZ 4.48Å; Y882-F923 AromaticContact CE1-CE1 3.83Å; Y882-F923 HydrophobicContact CE1-CE1 3.83Å; Y882-F923 HydrophobicContact CE1-CZ 4.34Å; Y882-F923 HydrophobicContact CE2-CE1 4.37Å; Y882-F923 HydrophobicContact CE2-CZ 4.19Å; Y882-F923 HydrophobicContact CG-CE1 4.19Å; Y882-L924 HydrophobicContact CD1-CD1 4.26Å; Y882-L924 HydrophobicContact CE1-CD1 3.95Å; Y882-R935 HydrophobicContact CD1-CG 4.16Å; Y882-R935 HydrophobicContact CD2-CG 4.2Å; Y882-R935 HydrophobicContact CE1-CB 4.48Å; Y882-R935 HydrophobicContact CE1-CG 3.93Å; Y882-R935 HydrophobicContact CE2-CB 4.38Å; Y882-R935 HydrophobicContact CE2-CG 3.98Å; Y882-R935 HydrophobicContact CG-CG 4.28Å
883	V	88.8	Confident	82.7	Confident	86 Å²	86	62 Å²	62	52%	0.521	33%	0.331	S	S	.	.			trans	-82.9	153.1	174.6	-172.2	0	0	0	0	109.8	E885 E886 D887	V883-E885 PolarHBondContact O-N 3.47Å; V883-E886 HydrophobicContact CB-CG 4.23Å; V883-E886 WeakPolarHBondContact CG2-OE1 3.49Å; V883-E886 PolarHBondContact N-OE2 3.27Å; V883-E886 WeakPolarHBondContact O-CB 3.48Å; V883-E886 PolarHBondContact O-N 2.93Å; V883-E886 VanDerWaalsContact O-N 3.08Å; V883-D887 PolarHBondContact O-N 3.3Å; V883-D887 VanDerWaalsContact O-N 3.13Å
884	E	87.9	Confident	83.1	Confident	52 Å²	52	56.2 Å²	56.2	24%	0.243	30%	0.304	C	S	.	.	H	α-helix	trans	-59.6	-31.8	-177.5	-175.6	176.8	164.2	0	0	113.1	Y874 R888	Y874-E884 HydrophobicContact CE2-CB 4.45Å; Y874-E884 HydrophobicContact CE2-CG 4.2Å; Y874-E884 WeakPolarHBondContact OH-CA 3.49Å; E884-R888 VanDerWaalsContact O-CB 3.23Å; E884-R888 WeakPolarHBondContact O-CB 3.43Å; E884-R888 PolarHBondContact O-N 3.46Å; E884-R888 IonicContact OE1-NH2 3.28Å
885	E	89.1	Confident	83.4	Confident	113 Å²	113	58.4 Å²	58.4	53%	0.528	32%	0.315	S	S	.	.	H	α-helix	trans	-64.7	-41.9	174.9	-174.8	173.3	-172.5	0	0	112.4	V883 F889 F918	V883-E885 PolarHBondContact O-N 3.47Å; E885-F889 PolarHBondContact O-N 3.04Å; E885-F918 HydrophobicContact CG-CE1 4.43Å; E885-F918 HydrophobicContact CG-CZ 4.47Å
886	E	91.7	Very high	84.2	Confident	14 Å²	14	62.5 Å²	62.5	7%	0.065	31%	0.314	C	S	.	.	H	α-helix	trans	-64.5	-48.7	177	-57.9	166.2	-155.6	0	0	110.5	Y882 V883 R888 F889 L890 F918 L924	Y882-E886 WeakPolarHBondContact CA-OE2 3.22Å; Y882-E886 WeakPolarHBondContact CD1-OE2 3.41Å; V883-E886 HydrophobicContact CB-CG 4.23Å; V883-E886 WeakPolarHBondContact CG2-OE1 3.49Å; V883-E886 PolarHBondContact N-OE2 3.27Å; V883-E886 WeakPolarHBondContact O-CB 3.48Å; V883-E886 PolarHBondContact O-N 2.93Å; V883-E886 VanDerWaalsContact O-N 3.08Å; E886-R888 VanDerWaalsContact C-N 3.33Å; E886-R888 PolarHBondContact O-N 3.37Å; E886-F889 PolarHBondContact O-N 2.97Å; E886-L890 WeakPolarHBondContact O-CG 3.41Å; E886-L890 PolarHBondContact O-N 3.36Å; E886-F918 HydrophobicContact CG-CE1 3.98Å; E886-L924 HydrophobicContact CB-CD1 4.24Å; E886-L924 HydrophobicContact CB-CD2 4.12Å; E886-L924 HydrophobicContact CG-CD2 4.11Å
887	D	93.3	Very high	85.1	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.4	-42.4	179.6	-73.1	-31.5	0	0	0	112.2	I872 Y874 V883 F889 L890 I891 R935 L939	I872-D887 HydrophobicContact CD1-CB 3.8Å; Y874-D887 WeakPolarHBondContact CE1-OD2 3.47Å; Y874-D887 PolarHBondContact OH-OD2 2.91Å; V883-D887 PolarHBondContact O-N 3.3Å; V883-D887 VanDerWaalsContact O-N 3.13Å; D887-F889 VanDerWaalsContact C-N 3.33Å; D887-L890 PolarHBondContact O-N 3.36Å; D887-I891 PolarHBondContact O-N 3.02Å; D887-R935 IonicContact OD1-CZ 3.2Å; D887-R935 VanDerWaalsContact OD1-CZ 3.26Å; D887-R935 IonicContact OD1-NE 3.88Å; D887-R935 PolarHBondContact OD1-NE 3.37Å; D887-R935 IonicContact OD1-NH2 3.1Å; D887-R935 PolarHBondContact OD1-NH2 3.15Å; D887-R935 IonicContact OD2-CZ 3.8Å; D887-R935 IonicContact OD2-NE 3.31Å; D887-R935 IonicContact OD2-NH2 3.46Å; D887-R935 PolarHBondContact OD2-NH2 3.36Å; D887-L939 HydrophobicContact CB-CD1 3.78Å; D887-L939 HydrophobicContact CB-CD2 3.96Å
888	R	92.9	Very high	86.2	Confident	40 Å²	40	53.9 Å²	53.9	15%	0.151	27%	0.266	C	S	.	.	H	α-helix	trans	-59.1	-47.1	175.7	-178.5	-173.6	-57.4	169.1	0.4	110.7	F867 H868 L870 E884 E886 I891 C892	F867-R888 WeakPolarHBondContact O-CD 3.29Å; H868-R888 VanDerWaalsContact C-NH1 3.26Å; H868-R888 PolarHBondContact O-NH1 3.2Å; L870-R888 HydrophobicContact CB-CG 4.15Å; L870-R888 HydrophobicContact CD2-CG 4.4Å; L870-R888 PolarHBondContact O-NE 2.98Å; L870-R888 PolarHBondContact O-NH2 3.15Å; E884-R888 VanDerWaalsContact O-CB 3.23Å; E884-R888 WeakPolarHBondContact O-CB 3.43Å; E884-R888 PolarHBondContact O-N 3.46Å; E884-R888 IonicContact OE1-NH2 3.28Å; E886-R888 VanDerWaalsContact C-N 3.33Å; E886-R888 PolarHBondContact O-N 3.37Å; R888-I891 PolarHBondContact O-N 2.85Å; R888-C892 WeakPolarHBondContact O-CB 3.34Å; R888-C892 PolarHBondContact O-N 3.23Å; R888-C892 PolarHBondContact O-SG 3.28Å
889	F	94.5	Very high	87	Confident	11 Å²	11	50.6 Å²	50.6	5%	0.048	25%	0.252	C	S	.	.	H	α-helix	trans	-62.1	-46.2	177.8	178.6	-95.2	0	0	0	111.9	F867 E885 E886 D887 I891 C892 M893 V912 A915 F918	F867-F889 HydrophobicContact CD1-CD2 4.1Å; F867-F889 AromaticContact CE1-CD2 3.88Å; F867-F889 HydrophobicContact CE1-CD2 3.88Å; F867-F889 HydrophobicContact CE1-CE2 4.21Å; E885-F889 PolarHBondContact O-N 3.04Å; E886-F889 PolarHBondContact O-N 2.97Å; D887-F889 VanDerWaalsContact C-N 3.33Å; F889-I891 VanDerWaalsContact C-N 3.32Å; F889-I891 PolarHBondContact O-N 3.39Å; F889-C892 PolarHBondContact O-N 3.34Å; F889-M893 HydrophobicContact CE1-CB 4.24Å; F889-M893 HydrophobicContact CE1-CE 4.38Å; F889-M893 HydrophobicContact CE1-CG 4.42Å; F889-M893 HydrophobicContact CE2-CE 3.57Å; F889-M893 HydrophobicContact CZ-CB 4.4Å; F889-M893 HydrophobicContact CZ-CE 3.47Å; F889-M893 VanDerWaalsContact CZ-CE 3.47Å; F889-M893 HydrophobicContact CZ-CG 4.37Å; F889-M893 WeakPolarHBondContact O-CB 3.42Å; F889-M893 PolarHBondContact O-N 3.1Å; F889-V912 HydrophobicContact CD1-CG2 4.25Å; F889-V912 HydrophobicContact CE1-CG2 3.82Å; F889-A915 HydrophobicContact CE1-CB 4.3Å; F889-A915 HydrophobicContact CE2-CB 3.95Å; F889-A915 HydrophobicContact CZ-CB 3.6Å; F889-F918 HydrophobicContact CB-CE2 3.64Å; F889-F918 HydrophobicContact CB-CZ 3.65Å; F889-F918 HydrophobicContact CD1-CD2 4.25Å; F889-F918 AromaticContact CD1-CE2 3.52Å; F889-F918 HydrophobicContact CD1-CE2 3.52Å; F889-F918 HydrophobicContact CD1-CZ 4.32Å; F889-F918 AromaticContact CD2-CE2 3.71Å; F889-F918 HydrophobicContact CD2-CE2 3.71Å; F889-F918 HydrophobicContact CD2-CZ 4.44Å; F889-F918 HydrophobicContact CE1-CD2 4.39Å; F889-F918 HydrophobicContact CE1-CE2 4.03Å; F889-F918 HydrophobicContact CE2-CE2 4.18Å; F889-F918 HydrophobicContact CG-CD2 4.41Å; F889-F918 AromaticContact CG-CE2 3.34Å; F889-F918 HydrophobicContact CG-CE2 3.34Å; F889-F918 AromaticContact CG-CZ 3.92Å; F889-F918 HydrophobicContact CG-CZ 3.92Å; F889-F918 HydrophobicContact CZ-CE2 4.32Å
890	L	93.9	Very high	87.4	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-57.9	-44.5	-180	-70.4	177.8	0	0	0	111.8	Y882 E886 D887 L894 L908 V912 L924 L932 R935	Y882-L890 HydrophobicContact CE1-CD1 4.44Å; E886-L890 WeakPolarHBondContact O-CG 3.41Å; E886-L890 PolarHBondContact O-N 3.36Å; D887-L890 PolarHBondContact O-N 3.36Å; L890-L894 WeakPolarHBondContact O-CB 3.39Å; L890-L894 PolarHBondContact O-N 3.13Å; L890-L908 HydrophobicContact CD2-CD1 4.3Å; L890-L908 HydrophobicContact CD2-CD2 4.13Å; L890-L908 HydrophobicContact CD2-CG 4.24Å; L890-V912 HydrophobicContact CD2-CG2 3.74Å; L890-L924 HydrophobicContact CD1-CD1 4.33Å; L890-L932 HydrophobicContact CD1-CD2 4.26Å; L890-L932 HydrophobicContact CD2-CD2 3.91Å; L890-R935 HydrophobicContact CD1-CG 4.01Å
891	I	93.2	Very high	87.6	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-71.8	-44.2	-179.1	-75.2	-69.8	0	0	0	112.2	L856 M860 D887 R888 F889 M893 L894 H895 L939 I940 I943	L856-I891 HydrophobicContact CD2-CD1 4.21Å; L856-I891 HydrophobicContact CD2-CG2 3.83Å; M860-I891 HydrophobicContact CE-CG2 3.64Å; D887-I891 PolarHBondContact O-N 3.02Å; R888-I891 PolarHBondContact O-N 2.85Å; F889-I891 VanDerWaalsContact C-N 3.32Å; F889-I891 PolarHBondContact O-N 3.39Å; I891-M893 VanDerWaalsContact C-N 3.32Å; I891-M893 PolarHBondContact O-N 3.03Å; I891-L894 PolarHBondContact O-N 3Å; I891-H895 WeakPolarHBondContact O-CB 3.41Å; I891-H895 PolarHBondContact O-N 2.87Å; I891-L939 HydrophobicContact CD1-CB 3.67Å; I891-L939 HydrophobicContact CD1-CD1 4.27Å; I891-L939 HydrophobicContact CG1-CB 3.75Å; I891-L939 HydrophobicContact CG1-CD1 3.65Å; I891-L939 HydrophobicContact CG1-CG 4.33Å; I891-I940 HydrophobicContact CD1-CG1 4.12Å; I891-I943 HydrophobicContact CD1-CD1 4.16Å; I891-I943 HydrophobicContact CG1-CD1 4.32Å; I891-I943 HydrophobicContact CG2-CD1 3.88Å
892	C	93	Very high	87.3	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.02	25%	0.251	C	S	.	.	H	α-helix	trans	-64.3	-38.7	176.7	-68.9	0	0	0	0	111.7	F867 R888 F889 K896	F867-C892 HydrophobicContact CD1-CB 3.6Å; F867-C892 HydrophobicContact CD2-CB 4Å; F867-C892 HydrophobicContact CE1-CB 3.34Å; F867-C892 HydrophobicContact CE2-CB 3.76Å; F867-C892 HydrophobicContact CG-CB 3.93Å; F867-C892 HydrophobicContact CZ-CB 3.43Å; F867-C892 VanDerWaalsContact CZ-CB 3.43Å; R888-C892 WeakPolarHBondContact O-CB 3.34Å; R888-C892 PolarHBondContact O-N 3.23Å; R888-C892 PolarHBondContact O-SG 3.28Å; F889-C892 PolarHBondContact O-N 3.34Å; C892-K896 WeakPolarHBondContact O-CB 3.48Å; C892-K896 PolarHBondContact O-N 3.02Å
893	M	92.7	Very high	87	Confident	29 Å²	29	55.8 Å²	55.8	14%	0.143	27%	0.272	C	S	.	.	H	α-helix	trans	-72.9	-38.7	178.1	-167.3	59.7	69.6	0	0	111.9	F867 F889 I891 H895 K896 L897 L908 A911	F867-M893 HydrophobicContact CE1-CE 4.18Å; F867-M893 HydrophobicContact CZ-CE 4.17Å; F889-M893 HydrophobicContact CE1-CB 4.24Å; F889-M893 HydrophobicContact CE1-CE 4.38Å; F889-M893 HydrophobicContact CE1-CG 4.42Å; F889-M893 HydrophobicContact CE2-CE 3.57Å; F889-M893 HydrophobicContact CZ-CB 4.4Å; F889-M893 HydrophobicContact CZ-CE 3.47Å; F889-M893 VanDerWaalsContact CZ-CE 3.47Å; F889-M893 HydrophobicContact CZ-CG 4.37Å; F889-M893 WeakPolarHBondContact O-CB 3.42Å; F889-M893 PolarHBondContact O-N 3.1Å; I891-M893 VanDerWaalsContact C-N 3.32Å; I891-M893 PolarHBondContact O-N 3.03Å; M893-H895 VanDerWaalsContact C-N 3.32Å; M893-H895 PolarHBondContact O-N 3.05Å; M893-K896 PolarHBondContact O-N 3.34Å; M893-K896 HydrophobicContact SD-CD 4.28Å; M893-L897 HydrophobicContact CG-CD1 4Å; M893-L897 HydrophobicContact CG-CG 4.32Å; M893-L897 WeakPolarHBondContact O-CB 3.34Å; M893-L897 WeakPolarHBondContact O-CG 3.39Å; M893-L897 PolarHBondContact O-N 2.87Å; M893-L897 HydrophobicContact SD-CG 4.44Å; M893-L908 HydrophobicContact CB-CD1 3.62Å; M893-L908 HydrophobicContact CG-CD1 3.62Å; M893-A911 HydrophobicContact CE-CB 4.36Å; M893-A911 HydrophobicContact CG-CB 3.72Å; M893-A911 HydrophobicContact SD-CB 4.05Å
894	L	92	Very high	87	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.2	-40.7	173.5	-177.9	65.2	0	0	0	111.8	L890 I891 G898 F899 V904 Y905 C936 I940	L890-L894 WeakPolarHBondContact O-CB 3.39Å; L890-L894 PolarHBondContact O-N 3.13Å; I891-L894 PolarHBondContact O-N 3Å; L894-G898 PolarHBondContact O-N 3.31Å; L894-F899 HydrophobicContact CD1-CD2 4.26Å; L894-F899 HydrophobicContact CD2-CD2 4.09Å; L894-F899 HydrophobicContact CG-CD2 4.32Å; L894-V904 HydrophobicContact CD1-CG1 4.16Å; L894-V904 HydrophobicContact CD1-CG2 3.7Å; L894-Y905 HydrophobicContact CD1-CD1 4.5Å; L894-Y905 HydrophobicContact CD1-CE1 3.9Å; L894-Y905 HydrophobicContact CD2-CE1 4.43Å; L894-C936 HydrophobicContact CD2-CB 3.8Å; L894-I940 HydrophobicContact CD2-CD1 4.07Å
895	H	90	Very high	87.2	Confident	64 Å²	64	50.6 Å²	50.6	30%	0.296	24%	0.242	S	C	.	.	H	α-helix	trans	-62.9	-45.4	173.5	178.7	-100.6	0	0	0	111.7	D857 M860 I891 M893 L897 G898	D857-H895 IonicContact OD1-CD2 2.73Å; D857-H895 IonicContact OD1-CE1 3.93Å; D857-H895 IonicContact OD1-NE2 2.98Å; D857-H895 PolarHBondContact OD1-NE2 3.46Å; M860-H895 HydrophobicContact CE-CB 4.49Å; M860-H895 HydrophobicContact CG-CB 4.5Å; I891-H895 WeakPolarHBondContact O-CB 3.41Å; I891-H895 PolarHBondContact O-N 2.87Å; M893-H895 VanDerWaalsContact C-N 3.32Å; M893-H895 PolarHBondContact O-N 3.05Å; H895-L897 PolarHBondContact O-N 3.41Å; H895-G898 PolarHBondContact O-N 2.87Å
896	K	88.6	Confident	87.2	Confident	154 Å²	154	49 Å²	49	67%	0.67	24%	0.236	S	C	*	.	H	α-helix	trans	-64.4	-38.8	178.8	-172.1	179	179.4	-177.9	0	113.5	C892 M893 G898	C892-K896 WeakPolarHBondContact O-CB 3.48Å; C892-K896 PolarHBondContact O-N 3.02Å; M893-K896 PolarHBondContact O-N 3.34Å; M893-K896 HydrophobicContact SD-CD 4.28Å; K896-G898 VanDerWaalsContact C-N 3.34Å
897	L	88.5	Confident	87.2	Confident	38 Å²	38	51.1 Å²	51.1	20%	0.199	25%	0.248	C	C	.	.	H	α-helix	trans	-74.9	-24.4	179.9	-71.2	171.6	0	0	0	112.9	M893 H895 R901 V904 D907 L908	M893-L897 HydrophobicContact CG-CD1 4Å; M893-L897 HydrophobicContact CG-CG 4.32Å; M893-L897 WeakPolarHBondContact O-CB 3.34Å; M893-L897 WeakPolarHBondContact O-CG 3.39Å; M893-L897 PolarHBondContact O-N 2.87Å; M893-L897 HydrophobicContact SD-CG 4.44Å; H895-L897 PolarHBondContact O-N 3.41Å; L897-R901 PolarHBondContact O-NE 3.41Å; L897-V904 HydrophobicContact CB-CG2 3.89Å; L897-D907 HydrophobicContact CD1-CB 4.02Å; L897-D907 HydrophobicContact CD2-CB 4.25Å; L897-L908 HydrophobicContact CD1-CB 4.01Å; L897-L908 HydrophobicContact CD1-CD1 4.28Å
898	G	83.4	Confident	87.2	Confident	17 Å²	17	51.1 Å²	51.1	18%	0.175	25%	0.248	C	C	.	.			trans	88.5	113.6	-174.9	0	0	0	0	0	111.5	L894 H895 K896 D900 V904	L894-G898 PolarHBondContact O-N 3.31Å; H895-G898 PolarHBondContact O-N 2.87Å; K896-G898 VanDerWaalsContact C-N 3.34Å; G898-D900 PolarHBondContact O-N 3.15Å; G898-D900 VanDerWaalsContact O-N 3.16Å; G898-V904 WeakPolarHBondContact O-CG2 3.4Å
899	F	74.2	Confident	87.2	Confident	52 Å²	52	52.8 Å²	52.8	23%	0.228	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-15.8	-178.9	178.6	-98.8	0	0	0	114	R849 V852 L894 Y905 I940	R849-F899 HydrophobicContact CG-CD1 4.41Å; R849-F899 HydrophobicContact CG-CE1 4.04Å; V852-F899 HydrophobicContact CB-CD1 4.46Å; V852-F899 HydrophobicContact CB-CE1 4.29Å; V852-F899 HydrophobicContact CG1-CD1 4.07Å; V852-F899 HydrophobicContact CG1-CD2 4.23Å; V852-F899 HydrophobicContact CG1-CE1 4.09Å; V852-F899 HydrophobicContact CG1-CE2 4.23Å; V852-F899 HydrophobicContact CG1-CG 4.15Å; V852-F899 HydrophobicContact CG1-CZ 4.17Å; L894-F899 HydrophobicContact CD1-CD2 4.26Å; L894-F899 HydrophobicContact CD2-CD2 4.09Å; L894-F899 HydrophobicContact CG-CD2 4.32Å; F899-Y905 WeakPolarHBondContact CE2-OH 3.4Å; F899-I940 HydrophobicContact CD2-CD1 4.36Å; F899-I940 HydrophobicContact CE2-CD1 3.93Å
900	D	69.5	Low	87	Confident	95 Å²	95	56.8 Å²	56.8	51%	0.508	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-6.9	-172.7	53.3	-10.7	0	0	0	114.7	G898	G898-D900 PolarHBondContact O-N 3.15Å; G898-D900 VanDerWaalsContact O-N 3.16Å
901	R	74.8	Confident	86.9	Confident	153 Å²	153	57.7 Å²	57.7	58%	0.577	28%	0.283	S	S	*	.	S	Bend	trans	-85.1	137.7	179.8	-59.2	-176.9	-179.3	-172.3	0.9	112.1	L897 N903 V904	L897-R901 PolarHBondContact O-NE 3.41Å; R901-N903 PolarHBondContact O-N 3.2Å; R901-V904 HydrophobicContact CB-CB 4.33Å; R901-V904 WeakPolarHBondContact O-CB 3.16Å; R901-V904 PolarHBondContact O-N 2.9Å
902	D	73.4	Confident	86.9	Confident	144 Å²	144	57.8 Å²	57.8	77%	0.77	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-32.4	-176.4	-68	-36.8	0	0	0	113.6
903	N	82.3	Confident	86.8	Confident	106 Å²	106	62.5 Å²	62.5	57%	0.567	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	18.6	-177.6	-63.4	-18.2	0	0	0	114	R901 Y905 D906 D907	R901-N903 PolarHBondContact O-N 3.2Å; N903-Y905 PolarHBondContact O-N 3.18Å; N903-D906 PolarHBondContact O-N 3.36Å; N903-D907 PolarHBondContact O-N 2.88Å
904	V	87.7	Confident	86.8	Confident	4 Å²	4	67.9 Å²	67.9	2%	0.024	33%	0.33	C	S	.	.	H	α-helix	trans	-54.9	-31.9	-172.8	68.8	0	0	0	0	113.9	L894 L897 G898 R901 D907 L908	L894-V904 HydrophobicContact CD1-CG1 4.16Å; L894-V904 HydrophobicContact CD1-CG2 3.7Å; L897-V904 HydrophobicContact CB-CG2 3.89Å; G898-V904 WeakPolarHBondContact O-CG2 3.4Å; R901-V904 HydrophobicContact CB-CB 4.33Å; R901-V904 WeakPolarHBondContact O-CB 3.16Å; R901-V904 PolarHBondContact O-N 2.9Å; V904-D907 PolarHBondContact O-N 2.79Å; V904-L908 VanDerWaalsContact O-CB 3.31Å; V904-L908 WeakPolarHBondContact O-CB 3.27Å; V904-L908 PolarHBondContact O-N 2.86Å
905	Y	91.8	Very high	86.7	Confident	26 Å²	26	68.3 Å²	68.3	10%	0.102	33%	0.334	C	S	.	.	H	α-helix	trans	-79.7	-24.2	-177.6	-64.4	-69.3	0	0	0	113.8	L894 F899 N903 L908 R909 Q933 C936	L894-Y905 HydrophobicContact CD1-CD1 4.5Å; L894-Y905 HydrophobicContact CD1-CE1 3.9Å; L894-Y905 HydrophobicContact CD2-CE1 4.43Å; F899-Y905 WeakPolarHBondContact CE2-OH 3.4Å; N903-Y905 PolarHBondContact O-N 3.18Å; Y905-L908 HydrophobicContact CD1-CD2 4.11Å; Y905-R909 WeakPolarHBondContact O-CB 3.4Å; Y905-R909 PolarHBondContact O-N 3.32Å; Y905-Q933 HydrophobicContact CD1-CB 3.84Å; Y905-Q933 HydrophobicContact CD1-CG 4.42Å; Y905-Q933 HydrophobicContact CD2-CB 3.89Å; Y905-Q933 HydrophobicContact CD2-CG 3.84Å; Y905-Q933 HydrophobicContact CE1-CB 3.96Å; Y905-Q933 HydrophobicContact CE1-CG 4.16Å; Y905-Q933 HydrophobicContact CE2-CB 3.99Å; Y905-Q933 HydrophobicContact CE2-CG 3.53Å; Y905-Q933 HydrophobicContact CG-CB 3.8Å; Y905-Q933 HydrophobicContact CG-CG 4.27Å; Y905-C936 HydrophobicContact CE1-CB 3.94Å
906	D	90.2	Very high	86.6	Confident	78 Å²	78	70.3 Å²	70.3	42%	0.417	35%	0.352	S	S	.	.	H	α-helix	trans	-73	-41.5	169.6	-72.9	-58.6	0	0	0	110.3	N903 L908 R909 L910 A929	N903-D906 PolarHBondContact O-N 3.36Å; D906-L908 VanDerWaalsContact C-N 3.34Å; D906-L908 PolarHBondContact O-N 3.48Å; D906-R909 WeakPolarHBondContact O-CB 3.43Å; D906-R909 PolarHBondContact O-N 2.9Å; D906-L910 PolarHBondContact O-N 3.06Å; D906-A929 WeakPolarHBondContact OD1-CB 3.46Å
907	D	90.9	Very high	86.7	Confident	59 Å²	59	67.9 Å²	67.9	32%	0.316	34%	0.344	S	S	.	.	H	α-helix	trans	-62.9	-41.5	172.8	-66.8	-20.3	0	0	0	111.4	L897 N903 V904 R909 L910 A911	L897-D907 HydrophobicContact CD1-CB 4.02Å; L897-D907 HydrophobicContact CD2-CB 4.25Å; N903-D907 PolarHBondContact O-N 2.88Å; V904-D907 PolarHBondContact O-N 2.79Å; D907-R909 VanDerWaalsContact C-N 3.31Å; D907-R909 PolarHBondContact O-N 3.22Å; D907-L910 PolarHBondContact O-N 2.85Å; D907-A911 WeakPolarHBondContact O-CB 3.5Å; D907-A911 PolarHBondContact O-N 2.94Å
908	L	93	Very high	86.8	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-61.3	-40.8	175.1	-177.2	62.3	0	0	0	111.4	L890 M893 L897 V904 Y905 D906 L910 A911 V912 L932	L890-L908 HydrophobicContact CD2-CD1 4.3Å; L890-L908 HydrophobicContact CD2-CD2 4.13Å; L890-L908 HydrophobicContact CD2-CG 4.24Å; M893-L908 HydrophobicContact CB-CD1 3.62Å; M893-L908 HydrophobicContact CG-CD1 3.62Å; L897-L908 HydrophobicContact CD1-CB 4.01Å; L897-L908 HydrophobicContact CD1-CD1 4.28Å; V904-L908 VanDerWaalsContact O-CB 3.31Å; V904-L908 WeakPolarHBondContact O-CB 3.27Å; V904-L908 PolarHBondContact O-N 2.86Å; Y905-L908 HydrophobicContact CD1-CD2 4.11Å; D906-L908 VanDerWaalsContact C-N 3.34Å; D906-L908 PolarHBondContact O-N 3.48Å; L908-L910 VanDerWaalsContact C-N 3.34Å; L908-A911 PolarHBondContact O-N 3.17Å; L908-V912 WeakPolarHBondContact O-CG2 3.35Å; L908-V912 PolarHBondContact O-N 3.34Å; L908-L932 HydrophobicContact CD2-CB 4.47Å
909	R	93	Very high	87	Confident	75 Å²	75	73.6 Å²	73.6	28%	0.283	36%	0.357	S	S	.	.	H	α-helix	trans	-63.1	-41.2	176.2	-175.5	-173.6	179.7	-153.8	-1.2	111.6	Y905 D906 D907 R913 R927 L932	Y905-R909 WeakPolarHBondContact O-CB 3.4Å; Y905-R909 PolarHBondContact O-N 3.32Å; D906-R909 WeakPolarHBondContact O-CB 3.43Å; D906-R909 PolarHBondContact O-N 2.9Å; D907-R909 VanDerWaalsContact C-N 3.31Å; D907-R909 PolarHBondContact O-N 3.22Å; R909-R913 WeakPolarHBondContact O-CG 3.34Å; R909-R913 PolarHBondContact O-N 3.3Å; R909-R927 PolarHBondContact NE-O 3.41Å; R909-L932 HydrophobicContact CB-CD1 3.9Å; R909-L932 HydrophobicContact CG-CD1 4.33Å
910	L	91.6	Very high	87.6	Confident	95 Å²	95	80 Å²	80	50%	0.497	39%	0.385	S	S	.	.	H	α-helix	trans	-64.5	-43.9	173.9	-70.8	173.1	0	0	0	111.2	D906 D907 L908 V912 R913 L914	D906-L910 PolarHBondContact O-N 3.06Å; D907-L910 PolarHBondContact O-N 2.85Å; L908-L910 VanDerWaalsContact C-N 3.34Å; L910-V912 VanDerWaalsContact C-N 3.34Å; L910-V912 PolarHBondContact O-N 3.49Å; L910-R913 WeakPolarHBondContact O-CB 3.45Å; L910-R913 PolarHBondContact O-N 2.85Å; L910-L914 WeakPolarHBondContact O-CG 3.4Å; L910-L914 PolarHBondContact O-N 3.46Å
911	A	92.2	Very high	88.5	Confident	19 Å²	19	77 Å²	77	16%	0.157	37%	0.369	C	S	.	.	H	α-helix	trans	-60.3	-41.4	177.4	0	0	0	0	0	112.5	M893 D907 L908 R913 L914 A915	M893-A911 HydrophobicContact CE-CB 4.36Å; M893-A911 HydrophobicContact CG-CB 3.72Å; M893-A911 HydrophobicContact SD-CB 4.05Å; D907-A911 WeakPolarHBondContact O-CB 3.5Å; D907-A911 PolarHBondContact O-N 2.94Å; L908-A911 PolarHBondContact O-N 3.17Å; A911-R913 VanDerWaalsContact C-N 3.31Å; A911-R913 PolarHBondContact O-N 2.88Å; A911-L914 PolarHBondContact O-N 3.36Å; A911-A915 WeakPolarHBondContact O-CB 3.27Å; A911-A915 PolarHBondContact O-N 3.1Å
912	V	93	Very high	89.1	Confident	2 Å²	2	79.1 Å²	79.1	1%	0.012	38%	0.377	C	S	.	.	H	α-helix	trans	-59.4	-41.7	173	165	0	0	0	0	111.5	F889 L890 L908 L910 L914 L924 L932	F889-V912 HydrophobicContact CD1-CG2 4.25Å; F889-V912 HydrophobicContact CE1-CG2 3.82Å; L890-V912 HydrophobicContact CD2-CG2 3.74Å; L908-V912 WeakPolarHBondContact O-CG2 3.35Å; L908-V912 PolarHBondContact O-N 3.34Å; L910-V912 VanDerWaalsContact C-N 3.34Å; L910-V912 PolarHBondContact O-N 3.49Å; V912-L914 VanDerWaalsContact C-N 3.33Å; V912-L914 PolarHBondContact O-N 3.38Å; V912-L924 HydrophobicContact CG1-CB 4.45Å; V912-L924 HydrophobicContact CG1-CD2 3.87Å; V912-L924 HydrophobicContact CG1-CG 3.69Å; V912-L924 HydrophobicContact CG2-CD2 4.44Å; V912-L932 HydrophobicContact CG2-CD1 4.47Å
913	R	90.6	Very high	89.9	Confident	102 Å²	102	75.4 Å²	75.4	39%	0.385	36%	0.355	S	S	.	.	H	α-helix	trans	-71.4	-27.7	-178.7	-74.6	174.1	168.7	-167.1	-8.7	113.7	R909 L910 A911 R925	R909-R913 WeakPolarHBondContact O-CG 3.34Å; R909-R913 PolarHBondContact O-N 3.3Å; L910-R913 WeakPolarHBondContact O-CB 3.45Å; L910-R913 PolarHBondContact O-N 2.85Å; A911-R913 VanDerWaalsContact C-N 3.31Å; A911-R913 PolarHBondContact O-N 2.88Å; R913-R925 PolarHBondContact O-NH2 3.28Å
914	L	91.5	Very high	90.3	Very high	142 Å²	142	70.4 Å²	70.4	74%	0.743	33%	0.328	S	S	*	.	H	α-helix	trans	-91.7	-14	180	-67.2	173.2	0	0	0	113.1	L910 A911 V912 P916	L910-L914 WeakPolarHBondContact O-CG 3.4Å; L910-L914 PolarHBondContact O-N 3.46Å; A911-L914 PolarHBondContact O-N 3.36Å; V912-L914 VanDerWaalsContact C-N 3.33Å; V912-L914 PolarHBondContact O-N 3.38Å; L914-P916 VanDerWaalsContact O-CD 3.29Å; L914-P916 WeakPolarHBondContact O-CD 3.4Å
915	A	90.4	Very high	90.3	Very high	10 Å²	10	74.5 Å²	74.5	8%	0.083	34%	0.343	C	S	.	.			trans	-68.6	116.7	180	0	0	0	0	0	111.6	F889 A911 Q917 F918	F889-A915 HydrophobicContact CE1-CB 4.3Å; F889-A915 HydrophobicContact CE2-CB 3.95Å; F889-A915 HydrophobicContact CZ-CB 3.6Å; A911-A915 WeakPolarHBondContact O-CB 3.27Å; A911-A915 PolarHBondContact O-N 3.1Å; A915-Q917 VanDerWaalsContact C-N 3.3Å; A915-Q917 PolarHBondContact O-N 2.97Å; A915-F918 HydrophobicContact CB-CD2 3.7Å; A915-F918 HydrophobicContact CB-CE2 4.35Å; A915-F918 PolarHBondContact O-N 3.44Å; A915-F918 VanDerWaalsContact O-N 3.15Å
916	P	89.2	Confident	90.3	Very high	106 Å²	106	75.2 Å²	75.2	69%	0.688	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-59.9	-35.7	-175.7	-25.8	35.4	0	0	0	114.1	L914 F918 R919	L914-P916 VanDerWaalsContact O-CD 3.29Å; L914-P916 WeakPolarHBondContact O-CD 3.4Å; P916-F918 PolarHBondContact O-N 3.4Å; P916-R919 VanDerWaalsContact O-CB 3.22Å; P916-R919 WeakPolarHBondContact O-CB 3.29Å; P916-R919 PolarHBondContact O-N 2.82Å; P916-R919 VanDerWaalsContact O-N 3.11Å
917	Q	89.1	Confident	90.3	Very high	103 Å²	103	73.8 Å²	73.8	48%	0.481	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-65	-24.1	-179.6	64.8	-90.3	29.5	0	0	113.5	A915	A915-Q917 VanDerWaalsContact C-N 3.3Å; A915-Q917 PolarHBondContact O-N 2.97Å
918	F	91.5	Very high	90.4	Very high	6 Å²	6	73.8 Å²	73.8	3%	0.026	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-99.9	13.2	177.2	-56.1	-59.7	0	0	0	112.8	E885 E886 F889 A915 P916 F920 D921 L924 R925	E885-F918 HydrophobicContact CG-CE1 4.43Å; E885-F918 HydrophobicContact CG-CZ 4.47Å; E886-F918 HydrophobicContact CG-CE1 3.98Å; F889-F918 HydrophobicContact CB-CE2 3.64Å; F889-F918 HydrophobicContact CB-CZ 3.65Å; F889-F918 HydrophobicContact CD1-CD2 4.25Å; F889-F918 AromaticContact CD1-CE2 3.52Å; F889-F918 HydrophobicContact CD1-CE2 3.52Å; F889-F918 HydrophobicContact CD1-CZ 4.32Å; F889-F918 AromaticContact CD2-CE2 3.71Å; F889-F918 HydrophobicContact CD2-CE2 3.71Å; F889-F918 HydrophobicContact CD2-CZ 4.44Å; F889-F918 HydrophobicContact CE1-CD2 4.39Å; F889-F918 HydrophobicContact CE1-CE2 4.03Å; F889-F918 HydrophobicContact CE2-CE2 4.18Å; F889-F918 HydrophobicContact CG-CD2 4.41Å; F889-F918 AromaticContact CG-CE2 3.34Å; F889-F918 HydrophobicContact CG-CE2 3.34Å; F889-F918 AromaticContact CG-CZ 3.92Å; F889-F918 HydrophobicContact CG-CZ 3.92Å; F889-F918 HydrophobicContact CZ-CE2 4.32Å; A915-F918 HydrophobicContact CB-CD2 3.7Å; A915-F918 HydrophobicContact CB-CE2 4.35Å; A915-F918 PolarHBondContact O-N 3.44Å; A915-F918 VanDerWaalsContact O-N 3.15Å; P916-F918 PolarHBondContact O-N 3.4Å; F918-F920 PolarHBondContact O-N 3.47Å; F918-F920 VanDerWaalsContact O-N 3.12Å; F918-D921 HydrophobicContact CB-CB 4.1Å; F918-D921 HydrophobicContact CD1-CB 4.17Å; F918-D921 PolarHBondContact O-N 2.69Å; F918-L924 HydrophobicContact CB-CD2 4.45Å; F918-L924 HydrophobicContact CD1-CD2 3.82Å; F918-L924 HydrophobicContact CD2-CD2 3.89Å; F918-L924 HydrophobicContact CE1-CD2 4.01Å; F918-L924 HydrophobicContact CE2-CD2 4.11Å; F918-L924 HydrophobicContact CG-CD2 3.77Å; F918-L924 HydrophobicContact CZ-CD2 4.17Å; F918-R925 VanDerWaalsContact O-CD 3.25Å; F918-R925 WeakPolarHBondContact O-CD 3.45Å
919	R	86.4	Confident	90.2	Very high	169 Å²	169	74.6 Å²	74.6	64%	0.638	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-41.5	-178.8	178.1	177.7	176.1	127.6	-0.3	112.4	P916 R925	P916-R919 VanDerWaalsContact O-CB 3.22Å; P916-R919 WeakPolarHBondContact O-CB 3.29Å; P916-R919 PolarHBondContact O-N 2.82Å; P916-R919 VanDerWaalsContact O-N 3.11Å; R919-R925 PolarHBondContact O-NH1 3.06Å; R919-R925 VanDerWaalsContact O-NH1 3.15Å
920	F	88	Confident	90.1	Very high	185 Å²	185	76.3 Å²	76.3	81%	0.811	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-2.5	-179	-56.5	-64.3	0	0	0	114	F918 W922	F918-F920 PolarHBondContact O-N 3.47Å; F918-F920 VanDerWaalsContact O-N 3.12Å; F920-W922 PolarHBondContact O-N 3.42Å; F920-W922 VanDerWaalsContact O-N 3.13Å
921	D	87.5	Confident	90.1	Very high	32 Å²	32	74.9 Å²	74.9	17%	0.171	35%	0.353	C	S	.	.			trans	-85.3	85.7	175.7	-177.4	-5.5	0	0	0	110.3	F918 F923 L924 R925	F918-D921 HydrophobicContact CB-CB 4.1Å; F918-D921 HydrophobicContact CD1-CB 4.17Å; F918-D921 PolarHBondContact O-N 2.69Å; D921-F923 PolarHBondContact O-N 2.65Å; D921-F923 WeakPolarHBondContact OD1-CB 3.34Å; D921-F923 PolarHBondContact OD1-N 2.88Å; D921-F923 VanDerWaalsContact OD1-N 3.08Å; D921-L924 PolarHBondContact OD1-N 2.97Å; D921-L924 VanDerWaalsContact OD2-CB 3.29Å; D921-L924 WeakPolarHBondContact OD2-CB 3.47Å; D921-R925 WeakPolarHBondContact O-CB 3.34Å; D921-R925 VanDerWaalsContact O-CG 3.31Å; D921-R925 WeakPolarHBondContact O-CG 3.39Å; D921-R925 PolarHBondContact O-N 3.49Å; D921-R925 VanDerWaalsContact O-N 3.16Å
922	W	87.8	Confident	90.1	Very high	199 Å²	199	74 Å²	74	75%	0.754	35%	0.345	S	S	*	.	H	α-helix	trans	-66.9	-26.9	178.1	-124.4	98.7	0	0	0	112.6	F920 S926	F920-W922 PolarHBondContact O-N 3.42Å; F920-W922 VanDerWaalsContact O-N 3.13Å; W922-S926 VanDerWaalsContact O-CB 3.26Å; W922-S926 WeakPolarHBondContact O-CB 3.39Å; W922-S926 PolarHBondContact O-N 3.3Å; W922-S926 VanDerWaalsContact O-N 3.1Å; W922-S926 PolarHBondContact O-OG 3.25Å
923	F	90.2	Very high	90	Very high	66 Å²	66	78 Å²	78	29%	0.289	36%	0.364	S	S	.	.	H	α-helix	trans	-64.7	-48.3	-179.8	169.8	-98.9	0	0	0	110.5	N881 Y882 D921 S926 R927	N881-F923 HydrophobicContact CB-CE1 4.46Å; N881-F923 HydrophobicContact CB-CE2 4.3Å; N881-F923 HydrophobicContact CB-CZ 3.76Å; N881-F923 WeakPolarHBondContact O-CE1 3.5Å; N881-F923 WeakPolarHBondContact O-CZ 3.49Å; Y882-F923 AromaticContact CD1-CE1 3.89Å; Y882-F923 HydrophobicContact CD1-CE1 3.89Å; Y882-F923 HydrophobicContact CD2-CE1 4.42Å; Y882-F923 HydrophobicContact CD2-CZ 4.48Å; Y882-F923 AromaticContact CE1-CE1 3.83Å; Y882-F923 HydrophobicContact CE1-CE1 3.83Å; Y882-F923 HydrophobicContact CE1-CZ 4.34Å; Y882-F923 HydrophobicContact CE2-CE1 4.37Å; Y882-F923 HydrophobicContact CE2-CZ 4.19Å; Y882-F923 HydrophobicContact CG-CE1 4.19Å; D921-F923 PolarHBondContact O-N 2.65Å; D921-F923 WeakPolarHBondContact OD1-CB 3.34Å; D921-F923 PolarHBondContact OD1-N 2.88Å; D921-F923 VanDerWaalsContact OD1-N 3.08Å; F923-S926 PolarHBondContact O-OG 3.17Å; F923-R927 PolarHBondContact O-NE 3.48Å
924	L	90.3	Very high	89.9	Confident	1 Å²	1	80.6 Å²	80.6	1%	0.005	37%	0.373	C	S	.	.	H	α-helix	trans	-72.7	-41.1	179.1	-166.1	68.3	0	0	0	111.8	Y882 E886 L890 V912 F918 D921 S926 R927 L932	Y882-L924 HydrophobicContact CD1-CD1 4.26Å; Y882-L924 HydrophobicContact CE1-CD1 3.95Å; E886-L924 HydrophobicContact CB-CD1 4.24Å; E886-L924 HydrophobicContact CB-CD2 4.12Å; E886-L924 HydrophobicContact CG-CD2 4.11Å; L890-L924 HydrophobicContact CD1-CD1 4.33Å; V912-L924 HydrophobicContact CG1-CB 4.45Å; V912-L924 HydrophobicContact CG1-CD2 3.87Å; V912-L924 HydrophobicContact CG1-CG 3.69Å; V912-L924 HydrophobicContact CG2-CD2 4.44Å; F918-L924 HydrophobicContact CB-CD2 4.45Å; F918-L924 HydrophobicContact CD1-CD2 3.82Å; F918-L924 HydrophobicContact CD2-CD2 3.89Å; F918-L924 HydrophobicContact CE1-CD2 4.01Å; F918-L924 HydrophobicContact CE2-CD2 4.11Å; F918-L924 HydrophobicContact CG-CD2 3.77Å; F918-L924 HydrophobicContact CZ-CD2 4.17Å; D921-L924 PolarHBondContact OD1-N 2.97Å; D921-L924 VanDerWaalsContact OD2-CB 3.29Å; D921-L924 WeakPolarHBondContact OD2-CB 3.47Å; L924-S926 VanDerWaalsContact C-N 3.27Å; L924-S926 PolarHBondContact O-N 2.98Å; L924-R927 WeakPolarHBondContact O-CB 3.39Å; L924-R927 WeakPolarHBondContact O-CG 3.33Å; L924-R927 PolarHBondContact O-N 3.46Å; L924-L932 HydrophobicContact CD1-CD2 4.39Å
925	R	89	Confident	89.9	Confident	90 Å²	90	74.9 Å²	74.9	34%	0.34	34%	0.342	S	S	.	.	H	α-helix	trans	-66.8	-23.8	-178.8	-70.3	-174.7	76.5	-172.6	6	114.5	R913 F918 R919 D921	R913-R925 PolarHBondContact O-NH2 3.28Å; F918-R925 VanDerWaalsContact O-CD 3.25Å; F918-R925 WeakPolarHBondContact O-CD 3.45Å; R919-R925 PolarHBondContact O-NH1 3.06Å; R919-R925 VanDerWaalsContact O-NH1 3.15Å; D921-R925 WeakPolarHBondContact O-CB 3.34Å; D921-R925 VanDerWaalsContact O-CG 3.31Å; D921-R925 WeakPolarHBondContact O-CG 3.39Å; D921-R925 PolarHBondContact O-N 3.49Å; D921-R925 VanDerWaalsContact O-N 3.16Å
926	S	90.3	Very high	89.9	Confident	41 Å²	41	74.4 Å²	74.4	29%	0.287	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-10.4	178	61.2	0	0	0	0	114.3	W922 F923 L924	W922-S926 VanDerWaalsContact O-CB 3.26Å; W922-S926 WeakPolarHBondContact O-CB 3.39Å; W922-S926 PolarHBondContact O-N 3.3Å; W922-S926 VanDerWaalsContact O-N 3.1Å; W922-S926 PolarHBondContact O-OG 3.25Å; F923-S926 PolarHBondContact O-OG 3.17Å; L924-S926 VanDerWaalsContact C-N 3.27Å; L924-S926 PolarHBondContact O-N 2.98Å
927	R	90.8	Very high	89.9	Confident	47 Å²	47	71.9 Å²	71.9	18%	0.177	32%	0.323	C	S	.	.			trans	-65.1	145.1	-178.1	-62.2	-61.3	115.5	-128.8	4.1	112.5	R909 F923 L924 E931 L932	R909-R927 PolarHBondContact NE-O 3.41Å; F923-R927 PolarHBondContact O-NE 3.48Å; L924-R927 WeakPolarHBondContact O-CB 3.39Å; L924-R927 WeakPolarHBondContact O-CG 3.33Å; L924-R927 PolarHBondContact O-N 3.46Å; R927-E931 WeakPolarHBondContact CA-OE2 3.48Å; R927-E931 HydrophobicContact CB-CB 4.4Å; R927-E931 WeakPolarHBondContact CD-OE2 3.44Å; R927-E931 IonicContact CZ-OE2 3.87Å; R927-E931 IonicContact NH1-OE1 2.69Å; R927-E931 PolarHBondContact NH1-OE1 3.43Å; R927-E931 IonicContact NH1-OE2 2.69Å; R927-E931 PolarHBondContact NH1-OE2 2.87Å; R927-L932 HydrophobicContact CB-CD2 3.72Å; R927-L932 HydrophobicContact CB-CG 3.93Å; R927-L932 HydrophobicContact CG-CD2 4.09Å
928	T	93	Very high	89.9	Confident	60 Å²	60	69.9 Å²	69.9	37%	0.368	32%	0.318	S	S	.	.			trans	-83.5	159.6	170.3	63.9	0	0	0	0	111.1	M930 E931 L932	T928-M930 PolarHBondContact O-N 3.09Å; T928-E931 PolarHBondContact N-OE2 3.5Å; T928-E931 PolarHBondContact O-N 3.49Å; T928-E931 VanDerWaalsContact O-N 3.09Å; T928-E931 VanDerWaalsContact OG1-CG 3.3Å; T928-E931 WeakPolarHBondContact OG1-CG 3.3Å; T928-E931 PolarHBondContact OG1-N 3.2Å; T928-E931 PolarHBondContact OG1-OE2 2.8Å; T928-L932 PolarHBondContact O-N 2.79Å
929	A	90	Very high	89.9	Confident	16 Å²	16	69.6 Å²	69.6	13%	0.132	32%	0.317	C	S	.	.	H	α-helix	trans	-56.2	-38.5	176.7	0	0	0	0	0	112	D906 L932 Q933	D906-A929 WeakPolarHBondContact OD1-CB 3.46Å; A929-L932 PolarHBondContact O-N 3.28Å; A929-Q933 WeakPolarHBondContact O-CB 3.43Å; A929-Q933 PolarHBondContact O-N 2.67Å
930	M	89.5	Confident	90	Very high	111 Å²	111	61.8 Å²	61.8	55%	0.547	29%	0.288	S	S	.	.	H	α-helix	trans	-68.6	-34.2	177.5	-171.6	161.4	57.3	0	0	113.2	T928 R934	T928-M930 PolarHBondContact O-N 3.09Å; M930-R934 WeakPolarHBondContact O-CG 3.49Å; M930-R934 PolarHBondContact O-N 2.96Å; M930-R934 VanDerWaalsContact O-N 3.13Å
931	E	91.1	Very high	90.1	Very high	66 Å²	66	56.7 Å²	56.7	31%	0.308	27%	0.271	S	S	.	.	H	α-helix	trans	-68.7	-43	173	-73.4	171.8	154.4	0	0	111.6	R927 T928 Q933 R934 R935	R927-E931 WeakPolarHBondContact CA-OE2 3.48Å; R927-E931 HydrophobicContact CB-CB 4.4Å; R927-E931 WeakPolarHBondContact CD-OE2 3.44Å; R927-E931 IonicContact CZ-OE2 3.87Å; R927-E931 IonicContact NH1-OE1 2.69Å; R927-E931 PolarHBondContact NH1-OE1 3.43Å; R927-E931 IonicContact NH1-OE2 2.69Å; R927-E931 PolarHBondContact NH1-OE2 2.87Å; T928-E931 PolarHBondContact N-OE2 3.5Å; T928-E931 PolarHBondContact O-N 3.49Å; T928-E931 VanDerWaalsContact O-N 3.09Å; T928-E931 VanDerWaalsContact OG1-CG 3.3Å; T928-E931 WeakPolarHBondContact OG1-CG 3.3Å; T928-E931 PolarHBondContact OG1-N 3.2Å; T928-E931 PolarHBondContact OG1-OE2 2.8Å; E931-Q933 VanDerWaalsContact C-N 3.34Å; E931-Q933 PolarHBondContact O-N 2.89Å; E931-R934 PolarHBondContact O-N 3.42Å; E931-R935 PolarHBondContact O-N 3.35Å
932	L	92.1	Very high	90.1	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-62.2	-41.5	174.5	-65	-179.2	0	0	0	111.3	L890 L908 R909 V912 L924 R927 T928 A929 R934 R935 C936	L890-L932 HydrophobicContact CD1-CD2 4.26Å; L890-L932 HydrophobicContact CD2-CD2 3.91Å; L908-L932 HydrophobicContact CD2-CB 4.47Å; R909-L932 HydrophobicContact CB-CD1 3.9Å; R909-L932 HydrophobicContact CG-CD1 4.33Å; V912-L932 HydrophobicContact CG2-CD1 4.47Å; L924-L932 HydrophobicContact CD1-CD2 4.39Å; R927-L932 HydrophobicContact CB-CD2 3.72Å; R927-L932 HydrophobicContact CB-CG 3.93Å; R927-L932 HydrophobicContact CG-CD2 4.09Å; T928-L932 PolarHBondContact O-N 2.79Å; A929-L932 PolarHBondContact O-N 3.28Å; L932-R934 PolarHBondContact O-N 2.71Å; L932-R935 PolarHBondContact O-N 2.89Å; L932-C936 WeakPolarHBondContact O-CB 3.34Å; L932-C936 PolarHBondContact O-N 3.23Å; L932-C936 PolarHBondContact O-SG 3.07Å
933	Q	91.5	Very high	90.2	Very high	85 Å²	85	46.7 Å²	46.7	40%	0.397	23%	0.233	S	C	.	.	H	α-helix	trans	-58.2	-46.5	175.2	178.9	176.9	25.2	0	0	112.5	Y905 A929 E931 R935 C936 S937	Y905-Q933 HydrophobicContact CD1-CB 3.84Å; Y905-Q933 HydrophobicContact CD1-CG 4.42Å; Y905-Q933 HydrophobicContact CD2-CB 3.89Å; Y905-Q933 HydrophobicContact CD2-CG 3.84Å; Y905-Q933 HydrophobicContact CE1-CB 3.96Å; Y905-Q933 HydrophobicContact CE1-CG 4.16Å; Y905-Q933 HydrophobicContact CE2-CB 3.99Å; Y905-Q933 HydrophobicContact CE2-CG 3.53Å; Y905-Q933 HydrophobicContact CG-CB 3.8Å; Y905-Q933 HydrophobicContact CG-CG 4.27Å; A929-Q933 WeakPolarHBondContact O-CB 3.43Å; A929-Q933 PolarHBondContact O-N 2.67Å; E931-Q933 VanDerWaalsContact C-N 3.34Å; E931-Q933 PolarHBondContact O-N 2.89Å; Q933-R935 VanDerWaalsContact C-N 3.32Å; Q933-R935 PolarHBondContact O-N 3.1Å; Q933-C936 PolarHBondContact O-N 3.04Å; Q933-S937 WeakPolarHBondContact O-CB 3.43Å; Q933-S937 PolarHBondContact O-N 3.13Å; Q933-S937 PolarHBondContact O-OG 3.29Å
934	R	89.4	Confident	90.1	Very high	156 Å²	156	45.3 Å²	45.3	59%	0.589	23%	0.227	S	C	*	.	H	α-helix	trans	-62.3	-41	176.7	-71.9	176	-170	163.6	3.5	111.4	M930 E931 L932 S937 T938	M930-R934 WeakPolarHBondContact O-CG 3.49Å; M930-R934 PolarHBondContact O-N 2.96Å; M930-R934 VanDerWaalsContact O-N 3.13Å; E931-R934 PolarHBondContact O-N 3.42Å; L932-R934 PolarHBondContact O-N 2.71Å; R934-S937 PolarHBondContact O-N 3.35Å; R934-T938 PolarHBondContact O-N 3.06Å; R934-T938 VanDerWaalsContact O-N 3.16Å; R934-T938 PolarHBondContact O-OG1 2.97Å
935	R	90.5	Very high	89.9	Confident	23 Å²	23	53.1 Å²	53.1	9%	0.087	26%	0.257	C	S	.	.	H	α-helix	trans	-64.5	-50.8	177.4	-174.7	58.3	179.2	-179.9	1.6	111.4	Y882 D887 L890 E931 L932 Q933 S937 T938 L939	Y882-R935 HydrophobicContact CD1-CG 4.16Å; Y882-R935 HydrophobicContact CD2-CG 4.2Å; Y882-R935 HydrophobicContact CE1-CB 4.48Å; Y882-R935 HydrophobicContact CE1-CG 3.93Å; Y882-R935 HydrophobicContact CE2-CB 4.38Å; Y882-R935 HydrophobicContact CE2-CG 3.98Å; Y882-R935 HydrophobicContact CG-CG 4.28Å; D887-R935 IonicContact OD1-CZ 3.2Å; D887-R935 VanDerWaalsContact OD1-CZ 3.26Å; D887-R935 IonicContact OD1-NE 3.88Å; D887-R935 PolarHBondContact OD1-NE 3.37Å; D887-R935 IonicContact OD1-NH2 3.1Å; D887-R935 PolarHBondContact OD1-NH2 3.15Å; D887-R935 IonicContact OD2-CZ 3.8Å; D887-R935 IonicContact OD2-NE 3.31Å; D887-R935 IonicContact OD2-NH2 3.46Å; D887-R935 PolarHBondContact OD2-NH2 3.36Å; L890-R935 HydrophobicContact CD1-CG 4.01Å; E931-R935 PolarHBondContact O-N 3.35Å; L932-R935 PolarHBondContact O-N 2.89Å; Q933-R935 VanDerWaalsContact C-N 3.32Å; Q933-R935 PolarHBondContact O-N 3.1Å; R935-S937 VanDerWaalsContact C-N 3.29Å; R935-S937 PolarHBondContact O-N 3.28Å; R935-T938 WeakPolarHBondContact O-CB 3.48Å; R935-T938 PolarHBondContact O-N 2.92Å; R935-T938 VanDerWaalsContact O-N 3.08Å; R935-L939 HydrophobicContact CG-CD1 4.24Å; R935-L939 WeakPolarHBondContact O-CG 3.38Å; R935-L939 PolarHBondContact O-N 3.3Å
936	C	91	Very high	89.8	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-56.4	-41.6	176.2	-70.3	0	0	0	0	112.3	L894 Y905 L932 Q933 T938 L939 I940	L894-C936 HydrophobicContact CD2-CB 3.8Å; Y905-C936 HydrophobicContact CE1-CB 3.94Å; L932-C936 WeakPolarHBondContact O-CB 3.34Å; L932-C936 PolarHBondContact O-N 3.23Å; L932-C936 PolarHBondContact O-SG 3.07Å; Q933-C936 PolarHBondContact O-N 3.04Å; C936-T938 VanDerWaalsContact C-N 3.29Å; C936-T938 PolarHBondContact O-N 3.25Å; C936-L939 PolarHBondContact O-N 2.89Å; C936-I940 WeakPolarHBondContact O-CB 3.34Å; C936-I940 WeakPolarHBondContact O-CD1 3.22Å; C936-I940 WeakPolarHBondContact O-CG1 3.46Å; C936-I940 PolarHBondContact O-N 3.08Å
937	S	89.4	Confident	89.5	Confident	52 Å²	52	48.4 Å²	48.4	36%	0.364	23%	0.234	S	C	.	.	H	α-helix	trans	-61.1	-38.9	177.3	-58.6	0	0	0	0	112.4	Q933 R934 R935 T941	Q933-S937 WeakPolarHBondContact O-CB 3.43Å; Q933-S937 PolarHBondContact O-N 3.13Å; Q933-S937 PolarHBondContact O-OG 3.29Å; R934-S937 PolarHBondContact O-N 3.35Å; R935-S937 VanDerWaalsContact C-N 3.29Å; R935-S937 PolarHBondContact O-N 3.28Å; S937-T941 PolarHBondContact O-N 3.27Å; S937-T941 VanDerWaalsContact O-N 3.15Å; S937-T941 PolarHBondContact O-OG1 3.22Å
938	T	89	Confident	89.2	Confident	62 Å²	62	49.1 Å²	49.1	38%	0.38	25%	0.246	S	C	.	.	H	α-helix	trans	-65.4	-45.7	175.6	-51.7	0	0	0	0	110.8	R934 R935 C936 T941 L942	R934-T938 PolarHBondContact O-N 3.06Å; R934-T938 VanDerWaalsContact O-N 3.16Å; R934-T938 PolarHBondContact O-OG1 2.97Å; R935-T938 WeakPolarHBondContact O-CB 3.48Å; R935-T938 PolarHBondContact O-N 2.92Å; R935-T938 VanDerWaalsContact O-N 3.08Å; C936-T938 VanDerWaalsContact C-N 3.29Å; C936-T938 PolarHBondContact O-N 3.25Å; T938-T941 PolarHBondContact O-N 2.75Å; T938-L942 WeakPolarHBondContact O-CG 3.35Å; T938-L942 PolarHBondContact O-N 3.26Å; T938-L942 VanDerWaalsContact O-N 3.14Å
939	L	90.6	Very high	88.7	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65.3	-40.8	179.4	-65	175.9	0	0	0	112.3	I872 Y874 D887 I891 R935 C936 T941 L942 I943	I872-L939 HydrophobicContact CD1-CD2 4.07Å; I872-L939 HydrophobicContact CG2-CD2 4.38Å; Y874-L939 HydrophobicContact CE1-CD2 4.3Å; D887-L939 HydrophobicContact CB-CD1 3.78Å; D887-L939 HydrophobicContact CB-CD2 3.96Å; I891-L939 HydrophobicContact CD1-CB 3.67Å; I891-L939 HydrophobicContact CD1-CD1 4.27Å; I891-L939 HydrophobicContact CG1-CB 3.75Å; I891-L939 HydrophobicContact CG1-CD1 3.65Å; I891-L939 HydrophobicContact CG1-CG 4.33Å; R935-L939 HydrophobicContact CG-CD1 4.24Å; R935-L939 WeakPolarHBondContact O-CG 3.38Å; R935-L939 PolarHBondContact O-N 3.3Å; C936-L939 PolarHBondContact O-N 2.89Å; L939-T941 VanDerWaalsContact C-N 3.31Å; L939-T941 PolarHBondContact O-N 2.92Å; L939-L942 HydrophobicContact CD2-CD1 4.43Å; L939-L942 WeakPolarHBondContact O-CB 3.39Å; L939-L942 PolarHBondContact O-N 2.99Å; L939-I943 WeakPolarHBondContact O-CG1 3.43Å; L939-I943 PolarHBondContact O-N 2.73Å
940	I	89.9	Confident	88.3	Confident	5 Å²	5	51.7 Å²	51.7	3%	0.026	26%	0.255	C	S	.	.	H	α-helix	trans	-58.4	-45.5	174.3	-72.3	161.9	0	0	0	110.3	V852 I891 L894 F899 C936 L942 I943 E944	V852-I940 HydrophobicContact CB-CG2 4.31Å; V852-I940 HydrophobicContact CG1-CD1 3.82Å; V852-I940 HydrophobicContact CG1-CG1 4.17Å; V852-I940 HydrophobicContact CG1-CG2 3.86Å; V852-I940 HydrophobicContact CG2-CG2 3.65Å; I891-I940 HydrophobicContact CD1-CG1 4.12Å; L894-I940 HydrophobicContact CD2-CD1 4.07Å; F899-I940 HydrophobicContact CD2-CD1 4.36Å; F899-I940 HydrophobicContact CE2-CD1 3.93Å; C936-I940 WeakPolarHBondContact O-CB 3.34Å; C936-I940 WeakPolarHBondContact O-CD1 3.22Å; C936-I940 WeakPolarHBondContact O-CG1 3.46Å; C936-I940 PolarHBondContact O-N 3.08Å; I940-L942 VanDerWaalsContact C-N 3.3Å; I940-L942 PolarHBondContact O-N 2.96Å; I940-I943 PolarHBondContact O-N 3.42Å; I940-I943 VanDerWaalsContact O-N 3.15Å; I940-E944 HydrophobicContact CG2-CG 4.37Å; I940-E944 WeakPolarHBondContact O-CG 3.35Å; I940-E944 PolarHBondContact O-N 2.75Å
941	T	89	Confident	87.8	Confident	77 Å²	77	50.8 Å²	50.8	47%	0.472	25%	0.249	S	C	.	.	H	α-helix	trans	-63	-37	179.5	-52.2	0	0	0	0	111.9	S937 T938 L939 R945	S937-T941 PolarHBondContact O-N 3.27Å; S937-T941 VanDerWaalsContact O-N 3.15Å; S937-T941 PolarHBondContact O-OG1 3.22Å; T938-T941 PolarHBondContact O-N 2.75Å; L939-T941 VanDerWaalsContact C-N 3.31Å; L939-T941 PolarHBondContact O-N 2.92Å; T941-R945 WeakPolarHBondContact O-CB 3.2Å; T941-R945 PolarHBondContact O-N 3.15Å; T941-R945 VanDerWaalsContact O-N 3.09Å
942	L	88.6	Confident	87.3	Confident	20 Å²	20	51 Å²	51	11%	0.105	25%	0.252	C	S	.	.	H	α-helix	trans	-65.4	-42.6	174	-68.8	171.2	0	0	0	111.8	I872 Y874 T938 L939 I940 R945 E946	I872-L942 HydrophobicContact CG2-CB 4.49Å; I872-L942 HydrophobicContact CG2-CD1 4.36Å; Y874-L942 HydrophobicContact CD1-CD1 4.12Å; T938-L942 WeakPolarHBondContact O-CG 3.35Å; T938-L942 PolarHBondContact O-N 3.26Å; T938-L942 VanDerWaalsContact O-N 3.14Å; L939-L942 HydrophobicContact CD2-CD1 4.43Å; L939-L942 WeakPolarHBondContact O-CB 3.39Å; L939-L942 PolarHBondContact O-N 2.99Å; I940-L942 VanDerWaalsContact C-N 3.3Å; I940-L942 PolarHBondContact O-N 2.96Å; L942-R945 PolarHBondContact O-N 3.19Å; L942-E946 WeakPolarHBondContact O-CB 3.07Å; L942-E946 PolarHBondContact O-N 3.02Å
943	I	89.8	Confident	86.6	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-65.4	-43.6	177.8	-68.3	165.9	0	0	0	111.1	A855 L856 K859 I891 L939 I940 R945 E946 I947	A855-I943 HydrophobicContact CB-CG2 4.49Å; L856-I943 HydrophobicContact CD2-CD1 4.07Å; K859-I943 HydrophobicContact CB-CG2 3.82Å; K859-I943 HydrophobicContact CD-CG2 4.17Å; K859-I943 HydrophobicContact CG-CD1 4.37Å; K859-I943 HydrophobicContact CG-CG1 4.41Å; K859-I943 HydrophobicContact CG-CG2 3.96Å; I891-I943 HydrophobicContact CD1-CD1 4.16Å; I891-I943 HydrophobicContact CG1-CD1 4.32Å; I891-I943 HydrophobicContact CG2-CD1 3.88Å; L939-I943 WeakPolarHBondContact O-CG1 3.43Å; L939-I943 PolarHBondContact O-N 2.73Å; I940-I943 PolarHBondContact O-N 3.42Å; I940-I943 VanDerWaalsContact O-N 3.15Å; I943-R945 VanDerWaalsContact C-N 3.33Å; I943-R945 PolarHBondContact O-N 2.86Å; I943-E946 PolarHBondContact O-N 3.45Å; I943-I947 HydrophobicContact CG2-CD1 3.84Å; I943-I947 HydrophobicContact CG2-CG1 4.47Å; I943-I947 VanDerWaalsContact O-CG1 3.31Å; I943-I947 WeakPolarHBondContact O-CG1 3.28Å; I943-I947 PolarHBondContact O-N 3.41Å
944	E	87.9	Confident	85.9	Confident	38 Å²	38	58.4 Å²	58.4	18%	0.178	29%	0.286	C	S	.	.	H	α-helix	trans	-59.8	-43.9	176.4	-73.7	178.4	148	0	0	111.5	R848 A855 I940 I947 C948	R848-E944 IonicContact CZ-OE1 2.78Å; R848-E944 IonicContact CZ-OE2 3.15Å; R848-E944 IonicContact NH1-OE1 2.97Å; R848-E944 PolarHBondContact NH1-OE1 3.48Å; R848-E944 IonicContact NH1-OE2 2.95Å; R848-E944 PolarHBondContact NH1-OE2 3.47Å; R848-E944 IonicContact NH2-OE1 3.32Å; R848-E944 IonicContact NH2-OE2 3.46Å; R848-E944 PolarHBondContact NH2-OE2 3.46Å; A855-E944 HydrophobicContact CB-CG 3.99Å; I940-E944 HydrophobicContact CG2-CG 4.37Å; I940-E944 WeakPolarHBondContact O-CG 3.35Å; I940-E944 PolarHBondContact O-N 2.75Å; E944-I947 PolarHBondContact O-N 2.85Å; E944-C948 WeakPolarHBondContact O-CB 3.27Å; E944-C948 PolarHBondContact O-N 3.14Å
945	R	85.6	Confident	85.2	Confident	165 Å²	165	56.9 Å²	56.9	62%	0.623	28%	0.284	S	S	*	.	H	α-helix	trans	-63.2	-44	176.1	-172.3	177.4	179.3	173.8	2.4	111.9	T941 L942 I943 I947 C948 D949	T941-R945 WeakPolarHBondContact O-CB 3.2Å; T941-R945 PolarHBondContact O-N 3.15Å; T941-R945 VanDerWaalsContact O-N 3.09Å; L942-R945 PolarHBondContact O-N 3.19Å; I943-R945 VanDerWaalsContact C-N 3.33Å; I943-R945 PolarHBondContact O-N 2.86Å; R945-I947 VanDerWaalsContact C-N 3.32Å; R945-I947 PolarHBondContact O-N 3.21Å; R945-C948 PolarHBondContact O-N 3.39Å; R945-D949 WeakPolarHBondContact O-CB 3.19Å; R945-D949 VanDerWaalsContact O-CG 3.26Å; R945-D949 PolarHBondContact O-N 2.84Å
946	E	86	Confident	84.1	Confident	19 Å²	19	62.4 Å²	62.4	9%	0.089	31%	0.311	C	S	.	.	H	α-helix	trans	-60.7	-41.5	176.5	-175.7	-167.4	140.7	0	0	112	K859 R862 L942 I943 L950	K859-E946 IonicContact NZ-OE1 3.73Å; K859-E946 PolarHBondContact NZ-OE1 2.89Å; K859-E946 IonicContact NZ-OE2 3.08Å; K859-E946 PolarHBondContact NZ-OE2 2.91Å; R862-E946 IonicContact NH1-OE1 2.97Å; R862-E946 PolarHBondContact NH1-OE1 3.26Å; L942-E946 WeakPolarHBondContact O-CB 3.07Å; L942-E946 PolarHBondContact O-N 3.02Å; I943-E946 PolarHBondContact O-N 3.45Å; E946-L950 HydrophobicContact CG-CD1 3.99Å; E946-L950 WeakPolarHBondContact O-CB 3.4Å; E946-L950 WeakPolarHBondContact O-CD1 3.49Å; E946-L950 VanDerWaalsContact O-CG 3.24Å; E946-L950 WeakPolarHBondContact O-CG 3.29Å; E946-L950 PolarHBondContact O-N 2.8Å
947	I	85.5	Confident	82.7	Confident	13 Å²	13	72.1 Å²	72.1	7%	0.067	35%	0.348	C	S	.	.	H	α-helix	trans	-64.8	-44.4	177.1	-69	168.9	0	0	0	110.3	A855 L858 I943 E944 R945 L950 E951	A855-I947 HydrophobicContact CB-CD1 3.79Å; A855-I947 VanDerWaalsContact O-CD1 3.26Å; A855-I947 WeakPolarHBondContact O-CD1 3.3Å; L858-I947 HydrophobicContact CB-CD1 4.22Å; L858-I947 HydrophobicContact CD1-CG2 4.42Å; I943-I947 HydrophobicContact CG2-CD1 3.84Å; I943-I947 HydrophobicContact CG2-CG1 4.47Å; I943-I947 VanDerWaalsContact O-CG1 3.31Å; I943-I947 WeakPolarHBondContact O-CG1 3.28Å; I943-I947 PolarHBondContact O-N 3.41Å; E944-I947 PolarHBondContact O-N 2.85Å; R945-I947 VanDerWaalsContact C-N 3.32Å; R945-I947 PolarHBondContact O-N 3.21Å; I947-L950 PolarHBondContact O-N 2.76Å; I947-E951 HydrophobicContact CG2-CG 4.44Å; I947-E951 WeakPolarHBondContact O-CG 2.94Å; I947-E951 PolarHBondContact O-N 3.42Å
948	C	83.6	Confident	81.2	Confident	62 Å²	62	73.7 Å²	73.7	42%	0.419	36%	0.358	S	S	.	.	H	α-helix	trans	-61.1	-47.4	177.4	-164.9	0	0	0	0	111.8	E944 R945 L950 E951 D952	E944-C948 WeakPolarHBondContact O-CB 3.27Å; E944-C948 PolarHBondContact O-N 3.14Å; R945-C948 PolarHBondContact O-N 3.39Å; C948-L950 PolarHBondContact O-N 3.26Å; C948-E951 PolarHBondContact O-N 3.25Å; C948-D952 PolarHBondContact O-N 3.3Å
949	D	83.7	Confident	79.5	Confident	75 Å²	75	73.5 Å²	73.5	40%	0.401	37%	0.369	S	S	.	.	H	α-helix	trans	-60.4	-33.4	177.1	-70.3	-17.8	0	0	0	111.9	R945 R953	R945-D949 WeakPolarHBondContact O-CB 3.19Å; R945-D949 VanDerWaalsContact O-CG 3.26Å; R945-D949 PolarHBondContact O-N 2.84Å; D949-R953 VanDerWaalsContact O-CG 3.25Å; D949-R953 WeakPolarHBondContact O-CG 3.19Å; D949-R953 PolarHBondContact O-N 3.04Å; D949-R953 VanDerWaalsContact O-N 3.13Å
950	L	80.8	Confident	77.6	Confident	55 Å²	55	77.4 Å²	77.4	29%	0.288	40%	0.401	S	S	.	.	H	α-helix	trans	-77.2	-39.6	177.7	-76.6	165	0	0	0	113	R862 E946 I947 C948 D952 R953 T954	R862-L950 VanDerWaalsContact CZ-CD1 3.46Å; R862-L950 VanDerWaalsContact NH2-CD1 3.28Å; E946-L950 HydrophobicContact CG-CD1 3.99Å; E946-L950 WeakPolarHBondContact O-CB 3.4Å; E946-L950 WeakPolarHBondContact O-CD1 3.49Å; E946-L950 VanDerWaalsContact O-CG 3.24Å; E946-L950 WeakPolarHBondContact O-CG 3.29Å; E946-L950 PolarHBondContact O-N 2.8Å; I947-L950 PolarHBondContact O-N 2.76Å; C948-L950 PolarHBondContact O-N 3.26Å; L950-D952 VanDerWaalsContact C-N 3.29Å; L950-R953 PolarHBondContact O-N 3.44Å; L950-T954 PolarHBondContact O-N 2.96Å; L950-T954 PolarHBondContact O-OG1 3.33Å
951	E	79.6	Confident	75.3	Confident	91 Å²	91	79.9 Å²	79.9	43%	0.425	43%	0.428	S	S	.	.	H	α-helix	trans	-62.5	-37.8	173.1	-74.9	-179.6	-177.9	0	0	111.6	I947 C948 T954 K955	I947-E951 HydrophobicContact CG2-CG 4.44Å; I947-E951 WeakPolarHBondContact O-CG 2.94Å; I947-E951 PolarHBondContact O-N 3.42Å; C948-E951 PolarHBondContact O-N 3.25Å; E951-T954 WeakPolarHBondContact CA-OG1 3.12Å; E951-T954 PolarHBondContact O-N 3.01Å; E951-T954 PolarHBondContact O-OG1 3.49Å; E951-K955 WeakPolarHBondContact O-CB 3.37Å; E951-K955 VanDerWaalsContact O-CG 3.27Å; E951-K955 WeakPolarHBondContact O-CG 3.45Å; E951-K955 PolarHBondContact O-N 3.19Å
952	D	79.5	Confident	73	Confident	70 Å²	70	80.2 Å²	80.2	37%	0.374	44%	0.438	S	S	.	.	H	α-helix	trans	-69.6	-37.5	175.4	-73.7	-15	0	0	0	111.6	C948 L950 K955 Q956	C948-D952 PolarHBondContact O-N 3.3Å; L950-D952 VanDerWaalsContact C-N 3.29Å; D952-K955 PolarHBondContact O-N 2.77Å; D952-K955 IonicContact OD1-NZ 2.7Å; D952-Q956 WeakPolarHBondContact O-CB 3.18Å; D952-Q956 VanDerWaalsContact O-CG 3.29Å; D952-Q956 WeakPolarHBondContact O-CG 3.49Å; D952-Q956 PolarHBondContact O-N 3.36Å
953	R	78.3	Confident	70.6	Confident	154 Å²	154	86.5 Å²	86.5	58%	0.581	47%	0.472	S	S	*	.	H	α-helix	trans	-65.7	-38.9	172.8	-77.4	173.6	179.1	-167.2	0.5	113	D949 L950 Q956 R957	D949-R953 VanDerWaalsContact O-CG 3.25Å; D949-R953 WeakPolarHBondContact O-CG 3.19Å; D949-R953 PolarHBondContact O-N 3.04Å; D949-R953 VanDerWaalsContact O-N 3.13Å; L950-R953 PolarHBondContact O-N 3.44Å; R953-Q956 PolarHBondContact O-N 2.96Å; R953-R957 WeakPolarHBondContact O-CB 3.31Å; R953-R957 WeakPolarHBondContact O-CG 3.27Å; R953-R957 PolarHBondContact O-N 3.49Å
954	T	77.3	Confident	67.8	Low	88 Å²	88	93.4 Å²	93.4	54%	0.54	51%	0.509	S	S	.	.	H	α-helix	trans	-69.3	-38.5	176.4	47.9	0	0	0	0	111.4	L950 E951 R957 S958	L950-T954 PolarHBondContact O-N 2.96Å; L950-T954 PolarHBondContact O-OG1 3.33Å; E951-T954 WeakPolarHBondContact CA-OG1 3.12Å; E951-T954 PolarHBondContact O-N 3.01Å; E951-T954 PolarHBondContact O-OG1 3.49Å; T954-R957 PolarHBondContact O-N 2.7Å; T954-S958 PolarHBondContact O-N 3.08Å; T954-S958 PolarHBondContact O-OG 3.46Å
955	K	73.6	Confident	65.3	Low	125 Å²	125	100.1 Å²	100.1	54%	0.543	55%	0.545	S	S	.	.	H	α-helix	trans	-62	-40.6	171.6	-73	170.4	-170.4	162.2	0	112.7	E951 D952 S958 G959	E951-K955 WeakPolarHBondContact O-CB 3.37Å; E951-K955 VanDerWaalsContact O-CG 3.27Å; E951-K955 WeakPolarHBondContact O-CG 3.45Å; E951-K955 PolarHBondContact O-N 3.19Å; D952-K955 PolarHBondContact O-N 2.77Å; D952-K955 IonicContact OD1-NZ 2.7Å; K955-S958 WeakPolarHBondContact CA-OG 3.44Å; K955-S958 PolarHBondContact O-OG 3.42Å; K955-S958 VanDerWaalsContact O-OG 3.13Å; K955-G959 PolarHBondContact O-N 3.17Å
956	Q	67.2	Low	62.5	Low	139 Å²	139	97.4 Å²	97.4	65%	0.65	55%	0.552	S	S	*	*	H	α-helix	trans	-65.7	-38.8	174.9	-74.4	173.9	8.3	0	0	111.9	D952 R953 G959 A960	D952-Q956 WeakPolarHBondContact O-CB 3.18Å; D952-Q956 VanDerWaalsContact O-CG 3.29Å; D952-Q956 WeakPolarHBondContact O-CG 3.49Å; D952-Q956 PolarHBondContact O-N 3.36Å; R953-Q956 PolarHBondContact O-N 2.96Å; Q956-G959 PolarHBondContact O-N 2.87Å; Q956-A960 WeakPolarHBondContact O-CB 3.29Å; Q956-A960 PolarHBondContact O-N 3.21Å
957	R	61.4	Low	59.9	Low	204 Å²	204	104.1 Å²	104.1	77%	0.77	59%	0.587	S	S	*	*	H	α-helix	trans	-70.3	-39.5	176.7	-75.6	179.4	175.8	-170.1	-2.2	113	R953 T954 A960 G961	R953-R957 WeakPolarHBondContact O-CB 3.31Å; R953-R957 WeakPolarHBondContact O-CG 3.27Å; R953-R957 PolarHBondContact O-N 3.49Å; T954-R957 PolarHBondContact O-N 2.7Å; R957-A960 PolarHBondContact O-N 3.3Å; R957-G961 PolarHBondContact O-N 2.99Å; R957-G961 VanDerWaalsContact O-N 3.11Å
958	S	58	Low	57.3	Low	84 Å²	84	109.6 Å²	109.6	59%	0.587	62%	0.621	S	S	*	*	H	α-helix	trans	-70.7	-32.5	174.5	60.6	0	0	0	0	112.1	T954 K955	T954-S958 PolarHBondContact O-N 3.08Å; T954-S958 PolarHBondContact O-OG 3.46Å; K955-S958 WeakPolarHBondContact CA-OG 3.44Å; K955-S958 PolarHBondContact O-OG 3.42Å; K955-S958 VanDerWaalsContact O-OG 3.13Å
959	G	54.9	Low	55.5	Low	59 Å²	59	112.6 Å²	112.6	61%	0.608	64%	0.64	S	S	*	*	H	α-helix	trans	-67.3	-33.2	171.3	0	0	0	0	0	113.9	K955 Q956	K955-G959 PolarHBondContact O-N 3.17Å; Q956-G959 PolarHBondContact O-N 2.87Å
960	A	49.1	Very low	53	Low	82 Å²	82	113.7 Å²	113.7	68%	0.678	66%	0.659	S	S	*	*	H	α-helix	trans	-83.7	-20.1	179	0	0	0	0	0	114.1	Q956 R957	Q956-A960 WeakPolarHBondContact O-CB 3.29Å; Q956-A960 PolarHBondContact O-N 3.21Å; R957-A960 PolarHBondContact O-N 3.3Å
961	G	42.2	Very low	50.5	Low	56 Å²	56	118.7 Å²	118.7	58%	0.577	69%	0.686	S	S	*	*	S	Bend	trans	-86.7	-6.5	-177.7	0	0	0	0	0	115.8	R957 N963	R957-G961 PolarHBondContact O-N 2.99Å; R957-G961 VanDerWaalsContact O-N 3.11Å; G961-N963 VanDerWaalsContact C-N 3.25Å; G961-N963 PolarHBondContact O-N 2.78Å
962	A	39.8	Very low	48.1	Very low	84 Å²	84	119.4 Å²	119.4	69%	0.694	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	5.7	-171.9	0	0	0	0	0	115.2
963	N	38.1	Very low	45.7	Very low	153 Å²	153	119.7 Å²	119.7	82%	0.818	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.7	10.9	-176.6	-104.1	11	0	0	0	116.1	G961	G961-N963 VanDerWaalsContact C-N 3.25Å; G961-N963 PolarHBondContact O-N 2.78Å
964	N	32.6	Very low	43.7	Very low	146 Å²	146	118.4 Å²	118.4	78%	0.781	73%	0.732	S	S	*	*	S	Bend	trans	-149.3	97.7	168.8	-90.2	-31.3	0	0	0	109.9
965	L	33.9	Very low	41.4	Very low	179 Å²	179	119.6 Å²	119.6	94%	0.937	74%	0.744	S	S	*	*			trans	174.4	89.4	144.6	-91.4	156.1	0	0	0	108.4
966	S	27.5	Very low	39.1	Very low	108 Å²	108	121.4 Å²	121.4	76%	0.755	76%	0.76	S	S	*	*			trans	-73.2	130.1	160.7	53.2	0	0	0	0	109.3
967	L	32.5	Very low	37.2	Very low	159 Å²	159	120.9 Å²	120.9	83%	0.832	77%	0.766	S	S	*	*			trans	176.7	95.4	143.2	-92.2	165	0	0	0	109.9
968	T	29.8	Very low	35.5	Very low	129 Å²	129	116.9 Å²	116.9	79%	0.791	77%	0.77	S	S	*	*			trans	45	150.6	140.6	49.1	0	0	0	0	124
969	P	46	Very low	34.1	Very low	125 Å²	125	119.1 Å²	119.1	81%	0.812	78%	0.78	S	S	*	*			trans	-111.2	160.1	-149.6	40	-28.4	0	0	0	115.4
970	A	31.1	Very low	32.8	Very low	97 Å²	97	123.2 Å²	123.2	80%	0.802	79%	0.793	S	S	*	*			trans	-146.8	116.2	159.1	0	0	0	0	0	111.3
971	N	28.8	Very low	31.6	Very low	160 Å²	160	124 Å²	124	86%	0.856	79%	0.794	S	S	*	*			trans	23.9	144.5	138.6	-86.5	-6.5	0	0	0	119.6
972	S	28.2	Very low	30.8	Very low	107 Å²	107	129.2 Å²	129.2	75%	0.748	81%	0.808	S	S	*	*			cis	168.9	138.1	-2.7	45.8	0	0	0	0	104.5
973	G	30.4	Very low	30.1	Very low	76 Å²	76	133.6 Å²	133.6	78%	0.784	81%	0.814	S	S	*	*			trans	158.8	102.3	169.2	0	0	0	0	0	113.7
974	P	35.1	Very low	29.4	Very low	126 Å²	126	136.1 Å²	136.1	82%	0.818	82%	0.818	S	S	*	*			trans	-94.5	139.7	-172.4	35.3	-29.7	0	0	0	112.1
975	S	29.1	Very low	29	Very low	113 Å²	113	141 Å²	141	79%	0.79	83%	0.826	S	S	*	*			trans	-134.5	104.9	157.1	55.9	0	0	0	0	109.8	T977	S975-T977 PolarHBondContact O-N 3.19Å
976	N	26	Very low	28.5	Very low	164 Å²	164	142.2 Å²	142.2	88%	0.877	82%	0.823	S	S	*	*			trans	-58.7	116.8	178.2	-79.8	-28.7	0	0	0	111.1
977	T	27.4	Very low	28.4	Very low	127 Å²	127	142.7 Å²	142.7	78%	0.779	83%	0.826	S	S	*	*			trans	-123.3	103.1	156.3	37.8	0	0	0	0	108.3	S975 T979	S975-T977 PolarHBondContact O-N 3.19Å; T977-T979 PolarHBondContact O-N 3.23Å; T977-T979 VanDerWaalsContact O-N 3.14Å
978	S	25	Very low	28.2	Very low	120 Å²	120	141.8 Å²	141.8	84%	0.839	83%	0.828	S	S	*	*			trans	-67.3	100.4	176.4	37.9	0	0	0	0	110
979	T	27.8	Very low	27.8	Very low	132 Å²	132	141.2 Å²	141.2	81%	0.81	83%	0.829	S	S	*	*			trans	-105.9	111.6	166.7	24.7	0	0	0	0	109.1	T977 S981	T977-T979 PolarHBondContact O-N 3.23Å; T977-T979 VanDerWaalsContact O-N 3.14Å; T979-S981 PolarHBondContact O-N 2.98Å
980	V	27.7	Very low	26.8	Very low	144 Å²	144	140.1 Å²	140.1	87%	0.873	83%	0.831	S	S	*	*			trans	-63.7	116.1	178.8	174	0	0	0	0	109.5	N982	V980-N982 PolarHBondContact O-N 3.25Å
981	S	25.5	Very low	26.5	Very low	99 Å²	99	139.7 Å²	139.7	69%	0.692	84%	0.836	S	S	*	*			trans	-73.4	112.7	-179.6	53.8	0	0	0	0	111.8	T979 Q983	T979-S981 PolarHBondContact O-N 2.98Å; S981-Q983 PolarHBondContact O-N 3.02Å
982	N	25.3	Very low	26.3	Very low	165 Å²	165	135.4 Å²	135.4	88%	0.882	83%	0.829	S	S	*	*			trans	-81.6	101.7	170.7	-122	-12	0	0	0	109.5	V980 K984	V980-N982 PolarHBondContact O-N 3.25Å; N982-K984 PolarHBondContact O-N 3.01Å
983	Q	24.3	Very low	26.1	Very low	177 Å²	177	138.8 Å²	138.8	83%	0.827	84%	0.837	S	S	*	*			trans	-68.8	110.2	178.3	-74	179.3	-8.5	0	0	111.1	S981 R985	S981-Q983 PolarHBondContact O-N 3.02Å; Q983-R985 PolarHBondContact O-N 3.33Å
984	K	24.1	Very low	26	Very low	206 Å²	206	138.9 Å²	138.9	90%	0.896	84%	0.838	S	S	*	*			trans	-66.8	109	166.3	-88.2	178.5	172.6	176.1	0	109.8	N982 K986	N982-K984 PolarHBondContact O-N 3.01Å; K984-K986 PolarHBondContact O-N 3.22Å
985	R	24.4	Very low	25.4	Very low	248 Å²	248	137.8 Å²	137.8	94%	0.936	83%	0.833	S	S	*	*			trans	-62.4	114.5	168.3	-77.1	179.1	172.4	174.2	-2.8	109.8	Q983 S987	Q983-R985 PolarHBondContact O-N 3.33Å; R985-S987 PolarHBondContact O-N 3.43Å
986	K	22.2	Very low	25.2	Very low	204 Å²	204	139.5 Å²	139.5	89%	0.887	83%	0.834	S	S	*	*			trans	-67.8	113.7	163.4	-77.3	174.6	171.6	176.7	0	108.1	K984	K984-K986 PolarHBondContact O-N 3.22Å
987	S	26.4	Very low	25.2	Very low	118 Å²	118	137.3 Å²	137.3	83%	0.825	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-94.6	126.4	161.9	50	0	0	0	0	108.7	R985	R985-S987 PolarHBondContact O-N 3.43Å
988	T	26.8	Very low	25	Very low	140 Å²	140	138.2 Å²	138.2	86%	0.859	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-71.6	129.8	-171.6	41.5	0	0	0	0	112.3
989	S	22.3	Very low	25	Very low	117 Å²	117	137.1 Å²	137.1	82%	0.818	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-84.4	121.4	164.2	52.2	0	0	0	0	110.2
990	A	25.6	Very low	24.7	Very low	103 Å²	103	140.2 Å²	140.2	85%	0.851	84%	0.84	S	S	*	*			trans	-167.8	123.7	158.4	0	0	0	0	0	112.2
991	G	24.5	Very low	24.7	Very low	88 Å²	88	142.1 Å²	142.1	91%	0.907	84%	0.842	S	S	*	*			trans	75.6	133.4	156.3	0	0	0	0	0	116.5
992	G	25.1	Very low	24.5	Very low	69 Å²	69	143.8 Å²	143.8	71%	0.711	85%	0.853	S	S	*	*			cis	170.8	136.7	5.4	0	0	0	0	0	108.2
993	I	24	Very low	24.6	Very low	178 Å²	178	138.7 Å²	138.7	91%	0.913	84%	0.84	S	S	*	*			trans	38.9	117.1	145.8	-52.2	168.4	0	0	0	118.7
994	G	27.7	Very low	24.6	Very low	79 Å²	79	138.6 Å²	138.6	81%	0.814	85%	0.845	S	S	*	*			trans	-169.4	102.5	158.5	0	0	0	0	0	110.6
995	S	22.2	Very low	24.8	Very low	102 Å²	102	134.4 Å²	134.4	71%	0.713	84%	0.842	S	S	*	*			trans	-77.5	165.9	176.3	46	0	0	0	0	112.8
996	D	24.2	Very low	25	Very low	150 Å²	150	132.2 Å²	132.2	80%	0.802	84%	0.839	S	S	*	*			trans	76.9	101.6	163.7	-64.2	-20.6	0	0	0	119.1
997	S	26.5	Very low	25.3	Very low	117 Å²	117	132.6 Å²	132.6	82%	0.818	84%	0.841	S	S	*	*				167.2	127.2	96.8	46.1	0	0	0	0	110.9
998	T	23	Very low	25.4	Very low	147 Å²	147	136.4 Å²	136.4	90%	0.902	84%	0.843	S	S	*	*			trans	-69.4	119.9	172.6	43	0	0	0	0	110.6
999	A	26.3	Very low	25.5	Very low	96 Å²	96	139.5 Å²	139.5	79%	0.793	84%	0.844	S	S	*	*			trans	-142.5	104.2	160.2	0	0	0	0	0	108.9	M1001	A999-M1001 PolarHBondContact O-N 3.25Å
1000	E	21.1	Very low	26	Very low	198 Å²	198	140.4 Å²	140.4	93%	0.925	84%	0.844	S	S	*	*			trans	-65	111.6	168.8	-67.2	177.9	146.6	0	0	109.3
1001	M	27	Very low	26.2	Very low	183 Å²	183	142 Å²	142	90%	0.901	84%	0.843	S	S	*	*			trans	-135.5	106.9	154.6	-79.8	-167.1	92.8	0	0	109.4	A999 G1003	A999-M1001 PolarHBondContact O-N 3.25Å; M1001-G1003 PolarHBondContact O-N 3.39Å; M1001-G1003 VanDerWaalsContact O-N 3.1Å
1002	S	22.6	Very low	26.4	Very low	134 Å²	134	146 Å²	146	94%	0.937	87%	0.868	S	S	*	*			trans	-62.3	99.3	166.5	56.3	0	0	0	0	110
1003	G	26.6	Very low	26.5	Very low	59 Å²	59	149.8 Å²	149.8	61%	0.608	88%	0.876	S	S	*	*			trans	-126.6	111.8	174.4	0	0	0	0	0	110.9	M1001 S1005	M1001-G1003 PolarHBondContact O-N 3.39Å; M1001-G1003 VanDerWaalsContact O-N 3.1Å; G1003-S1005 PolarHBondContact O-N 3.34Å
1004	N	24.2	Very low	26.6	Very low	174 Å²	174	148.3 Å²	148.3	93%	0.93	87%	0.874	S	S	*	*			trans	-55.6	95.4	176	-104.1	-21.8	0	0	0	111.9	K1006	N1004-K1006 PolarHBondContact O-N 3.5Å
1005	S	27.8	Very low	26.6	Very low	118 Å²	118	152.2 Å²	152.2	83%	0.825	88%	0.877	S	S	*	*			trans	-80.7	99.3	175.1	-70.7	0	0	0	0	111.1	G1003 K1007	G1003-S1005 PolarHBondContact O-N 3.34Å; S1005-K1007 PolarHBondContact O-N 3.34Å
1006	K	28.2	Very low	26.8	Very low	203 Å²	203	155.1 Å²	155.1	88%	0.883	89%	0.887	S	S	*	*			trans	-54.8	126.9	166.7	-77.7	175.8	175.4	174	0	110.2	N1004 K1008	N1004-K1006 PolarHBondContact O-N 3.5Å; K1006-K1008 PolarHBondContact O-N 3.41Å
1007	K	28.4	Very low	27	Very low	212 Å²	212	155.4 Å²	155.4	92%	0.922	89%	0.892	S	S	*	*			trans	-53.8	105.3	175	-73.6	176.6	173.9	178.1	0	111	S1005 K1009	S1005-K1007 PolarHBondContact O-N 3.34Å; K1007-K1009 PolarHBondContact O-N 3.24Å
1008	K	29.1	Very low	27	Very low	198 Å²	198	158 Å²	158	86%	0.861	90%	0.897	S	S	*	*			trans	-69	112.9	162.7	-88.8	-179.6	171.4	179.7	0	108.4	K1006 V1010	K1006-K1008 PolarHBondContact O-N 3.41Å; K1008-V1010 PolarHBondContact O-N 3.4Å
1009	K	28.7	Very low	27.3	Very low	205 Å²	205	158.8 Å²	158.8	89%	0.891	90%	0.897	S	S	*	*			trans	-64.8	111.5	162.9	-99	-180	167.9	-174.2	0	107.1	K1007	K1007-K1009 PolarHBondContact O-N 3.24Å
1010	V	32.5	Very low	27.4	Very low	136 Å²	136	163.6 Å²	163.6	82%	0.824	90%	0.904	S	S	*	*			trans	-82.3	110.8	167.1	176.8	0	0	0	0	105.9	K1008	K1008-V1010 PolarHBondContact O-N 3.4Å
1011	T	29.8	Very low	27.9	Very low	135 Å²	135	160.8 Å²	160.8	83%	0.828	90%	0.903	S	S	*	*			trans	-66	123.5	163.8	31.9	0	0	0	0	108.1
1012	A	30.3	Very low	28	Very low	172 Å²	172	158.7 Å²	158.7	100%	1.421	90%	0.903	S	S	*	*			trans	-92.8	0	162	0	0	0	0	0	108.5

Retrieved 1,012 of 1,012 residues in 471 ms (Link to these results)

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