A0A096NG14_PAPAN Loading...

Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform

AlphaFold DB (A0A2K5ZJY1), UniProt , Accession A0A096NG14, Species PAPAN (Papio anubis, Olive baboon), Gene PIK3CB, Length 1,070 aa.

						>A0A096NG14_PAPAN|A0A096NG14|PIK3CB
MCFSFIMPPAMADILDIWAVDSQIASDGSIPVDFLLPTGIYIQLEVPREATISYIKQMLWKQVHNYPMFNLLMDIDSYMFACVNQTAVYEELEDETRRLCDVRPFLPVLKLVTRSCDPGEKLDSKIGVLIGKGLHEFDSLKDPEVNEFRRKMRKFSEEKILSLVGLSWMDWLKQTYPPEHEPSIPENLEDKLYGGKLIVAIHFENCQDVFSFQVSPNMNPIKVNELAIQKRLTIHGKEDEVSPYDYVLQVSGRVEYVFGDHPLIQFQYIRNCVMNRTLPHFILVECCKIKKMYEQEMIAIEAAINRNSSNLPLPLPPKKTRIISHVWENNNPFQIVLVKGNKLNTEETVKVHVRAGLFHGTELLCKTIVSSEVSGKNDHIWNEPLEFDINICDLPRMARLCFAVYAVLDKVKTKKSTKTINPSKYQTIRKAGKVHYPVAWVNTMVFDFKGQLRTGDIILHSWSSFPDELEEMLNPMGTVQTNPYTENATALHIKFPENKKQPYYYPPFDKIIEKAAEIASSDSANVSSRGGKKFLPVLKEILDRDPLSQLCENEMDLIWTLRQDCREIFPQSLPKLLLSIKWNKLEDVAQLQALLQIWPKLPPREALELLDFNYPDQYVREYAVGCLRQMSDEELSQYLLQLVQVLKYEPFLDCALSRFLLERALGNRRIGQFLFWHLRSEVHIPAVSVQFGVILEAYCRGSVGHMKVLSKQVEALNKLKTLNSLIKLNAVKLNRAKGKEAMHTCLKQSAYREALSDLQSPLNPCVILSELYVEKCKYMDSKMKPLWLVYNNKVFGEDSVGVIFKNGDDLRQDMLTLQMLRLMDLLWKEAGLDLRMLPYGCLATGDRSGLIEVVSTSETIADIQLNSSNVAAAAAFNKDALLNWLKEYNSGDDLDRAIEEFTLSCAGYCVASYVLGIGDRHSDNIMVKKTGQLFHIDFGHILGNFKSKFGIKRERVPFILTYDFIHVIQQGKTGNTEKFGRFRQCCEDAYLILRRHGNLFITLFALMLTAGLPELTSVKDIQYLKDSLALGKSEEEALKQFKQKFDEALRESWTTKVNWMAHTVRKDYRS
					

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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	24.3	Very low	25.4	Very low	227 Å²	227	129.7 Å²	129.7	100%	1.118	70%	0.7	S	S	*	*				0	108.5	0	-76.3	176.2	-167.9	0	0	106.9	F3	M1-F3 PolarHBondContact O-N 2.74Å
2	C	21.5	Very low	26.6	Very low	132 Å²	132	122.3 Å²	122.3	89%	0.892	67%	0.67	S	S	*	*			trans	-80.5	98.5	176.2	-75.2	0	0	0	0	108.7	S4	C2-S4 VanDerWaalsContact C-N 3.33Å; C2-S4 PolarHBondContact O-N 3.04Å
3	F	20.5	Very low	28.1	Very low	184 Å²	184	119.9 Å²	119.9	81%	0.807	66%	0.656	S	S	*	*			trans	-89.7	85.6	153.1	-80.4	-83.3	0	0	0	106.1	M1 F5	M1-F3 PolarHBondContact O-N 2.74Å; F3-F5 PolarHBondContact O-N 2.8Å
4	S	24.9	Very low	29.3	Very low	70 Å²	70	121.6 Å²	121.6	49%	0.49	66%	0.661	S	S	.	*			trans	-49.4	122.7	146.4	46.2	0	0	0	0	105.7	C2 I6	C2-S4 VanDerWaalsContact C-N 3.33Å; C2-S4 PolarHBondContact O-N 3.04Å; S4-I6 PolarHBondContact O-N 3.35Å
5	F	22.7	Very low	30.9	Very low	206 Å²	206	121.3 Å²	121.3	90%	0.904	66%	0.658	S	S	*	*			trans	-57.2	92.8	157.7	-86.6	-90	0	0	0	105.3	F3 M7	F3-F5 PolarHBondContact O-N 2.8Å; F5-M7 PolarHBondContact O-N 3.33Å
6	I	24	Very low	33.1	Very low	100 Å²	100	114.9 Å²	114.9	51%	0.513	62%	0.624	S	S	.	*			trans	-57.6	99.6	157.9	-63.8	167.6	0	0	0	101	S4 P8	S4-I6 PolarHBondContact O-N 3.35Å; I6-P8 WeakPolarHBondContact O-CD 3.11Å
7	M	22.6	Very low	35.3	Very low	150 Å²	150	111 Å²	111	74%	0.739	60%	0.602	S	S	*	*			trans	-49.7	119.1	151.8	-88.2	-164.9	170.9	0	0	103.5	F5	F5-M7 PolarHBondContact O-N 3.33Å
8	P	23.5	Very low	37.3	Very low	78 Å²	78	105.5 Å²	105.5	51%	0.506	57%	0.571	S	S	.	*			trans	-47.8	143.6	177.2	18.5	-28.3	0	0	0	107.2	I6 A10	I6-P8 WeakPolarHBondContact O-CD 3.11Å; P8-A10 PolarHBondContact O-N 2.92Å
9	P	31.7	Very low	38.6	Very low	68 Å²	68	100.3 Å²	100.3	44%	0.442	54%	0.543	S	S	.	.	S	Bend	trans	-45.6	125.7	168.5	22.7	-31.6	0	0	0	105.3	M11	P9-M11 PolarHBondContact O-N 3Å
10	A	32.7	Very low	39.3	Very low	75 Å²	75	98.5 Å²	98.5	62%	0.62	54%	0.536	S	S	*	.			trans	-30.9	111.2	-169	0	0	0	0	0	107.9	P8 A12	P8-A10 PolarHBondContact O-N 2.92Å; A10-A12 PolarHBondContact O-N 2.73Å
11	M	31.2	Very low	39.7	Very low	137 Å²	137	98.2 Å²	98.2	68%	0.675	53%	0.534	S	S	*	.			trans	-47.6	127.4	172.6	-84.2	-152.2	-79.6	0	0	104	P9 D13 I14	P9-M11 PolarHBondContact O-N 3Å; M11-D13 PolarHBondContact O-N 3.19Å; M11-I14 HydrophobicContact CE-CD1 4.01Å; M11-I14 HydrophobicContact SD-CD1 4.39Å
12	A	39.2	Very low	41.1	Very low	40 Å²	40	88.6 Å²	88.6	33%	0.331	49%	0.489	S	S	.	.			trans	-45.1	128.1	167.9	0	0	0	0	0	105	A10 I14 A19	A10-A12 PolarHBondContact O-N 2.73Å; A12-I14 PolarHBondContact O-N 3.04Å; A12-A19 HydrophobicContact CB-CB 4.3Å
13	D	46.9	Very low	42.2	Very low	92 Å²	92	92.3 Å²	92.3	49%	0.492	49%	0.493	S	S	.	.			trans	-48.5	120.2	-174.1	-160.7	-17.8	0	0	0	106.1	M11 L15 D16	M11-D13 PolarHBondContact O-N 3.19Å; D13-L15 PolarHBondContact O-N 3.11Å; D13-D16 HydrophobicContact CB-CB 4.22Å; D13-D16 WeakPolarHBondContact O-CB 3.22Å; D13-D16 PolarHBondContact O-N 3.31Å
14	I	45	Very low	43.7	Very low	143 Å²	143	86.6 Å²	86.6	73%	0.733	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-15.2	-170.9	-64.3	168.9	0	0	0	109.7	M11 A12	M11-I14 HydrophobicContact CE-CD1 4.01Å; M11-I14 HydrophobicContact SD-CD1 4.39Å; A12-I14 PolarHBondContact O-N 3.04Å
15	L	53.3	Low	44.9	Very low	117 Å²	117	86.5 Å²	86.5	61%	0.613	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-10.2	176.5	-63.4	166	0	0	0	114.7	D13 I17	D13-L15 PolarHBondContact O-N 3.11Å; L15-I17 PolarHBondContact O-N 3.35Å
16	D	65.9	Low	46.4	Very low	20 Å²	20	80.9 Å²	80.9	11%	0.107	46%	0.46	C	S	.	.			trans	-78	89.3	-179.9	-174.9	-1.9	0	0	0	110.8	D13 W18 A19 R103	D13-D16 HydrophobicContact CB-CB 4.22Å; D13-D16 WeakPolarHBondContact O-CB 3.22Å; D13-D16 PolarHBondContact O-N 3.31Å; D16-W18 PolarHBondContact O-N 3.19Å; D16-W18 WeakPolarHBondContact OD1-CA 3.35Å; D16-W18 WeakPolarHBondContact OD1-CB 3.46Å; D16-W18 PolarHBondContact OD1-N 3.2Å; D16-A19 HydrophobicContact CB-CB 4.08Å; D16-A19 WeakPolarHBondContact O-CB 3.38Å; D16-A19 PolarHBondContact O-N 2.88Å; D16-A19 PolarHBondContact OD1-N 3.29Å; D16-R103 IonicContact OD1-NH2 2.73Å; D16-R103 IonicContact OD2-CZ 3.1Å; D16-R103 IonicContact OD2-NH2 2.68Å; D16-R103 PolarHBondContact OD2-NH2 3.07Å
17	I	70.1	Confident	47.8	Very low	48 Å²	48	83.7 Å²	83.7	25%	0.246	48%	0.476	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-13.9	176.8	57	162.8	0	0	0	114	L15 S22 I30 P107	L15-I17 PolarHBondContact O-N 3.35Å; I17-S22 WeakPolarHBondContact O-CB 3.4Å; I17-S22 PolarHBondContact O-OG 2.8Å; I17-I30 HydrophobicContact CD1-CD1 3.8Å; I17-P107 HydrophobicContact CD1-CB 4.29Å; I17-P107 HydrophobicContact CD1-CG 4.12Å
18	W	71.7	Confident	50	Low	12 Å²	12	77.5 Å²	77.5	5%	0.045	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-11.3	177.1	-49.3	96	0	0	0	112.7	D16 I30 R48 L99 C100 R103 P104 P107	D16-W18 PolarHBondContact O-N 3.19Å; D16-W18 WeakPolarHBondContact OD1-CA 3.35Å; D16-W18 WeakPolarHBondContact OD1-CB 3.46Å; D16-W18 PolarHBondContact OD1-N 3.2Å; W18-I30 HydrophobicContact CH2-CD1 4.03Å; W18-I30 HydrophobicContact CH2-CG2 4.16Å; W18-I30 HydrophobicContact CZ2-CD1 4.4Å; W18-I30 HydrophobicContact CZ3-CD1 4.47Å; W18-I30 HydrophobicContact CZ3-CG2 4.47Å; W18-R48 HydrophobicContact CZ3-CG 4.35Å; W18-R48 PolarHBondContact O-NH2 2.99Å; W18-R48 VanDerWaalsContact O-NH2 3.11Å; W18-L99 HydrophobicContact CH2-CD1 4.13Å; W18-L99 HydrophobicContact CH2-CD2 3.71Å; W18-L99 HydrophobicContact CH2-CG 3.53Å; W18-L99 HydrophobicContact CZ2-CG 4.43Å; W18-L99 HydrophobicContact CZ3-CD2 4.13Å; W18-L99 HydrophobicContact CZ3-CG 3.82Å; W18-C100 HydrophobicContact CE3-CB 4.47Å; W18-R103 HydrophobicContact CB-CB 4.18Å; W18-R103 HydrophobicContact CB-CG 3.89Å; W18-R103 HydrophobicContact CD2-CB 4.49Å; W18-R103 HydrophobicContact CG-CB 3.84Å; W18-R103 HydrophobicContact CG-CG 3.97Å; W18-P104 HydrophobicContact CH2-CG 4.47Å; W18-P104 HydrophobicContact CZ2-CG 3.63Å; W18-P104 PolarHBondContact NE1-O 2.93Å; W18-P107 HydrophobicContact CZ2-CB 4.34Å
19	A	61.3	Low	52.7	Low	6 Å²	6	76.9 Å²	76.9	5%	0.05	45%	0.449	C	S	.	.	S	Bend	trans	-64.6	152.8	-179.9	0	0	0	0	0	111.5	A12 D16 D21 S22	A12-A19 HydrophobicContact CB-CB 4.3Å; D16-A19 HydrophobicContact CB-CB 4.08Å; D16-A19 WeakPolarHBondContact O-CB 3.38Å; D16-A19 PolarHBondContact O-N 2.88Å; D16-A19 PolarHBondContact OD1-N 3.29Å; A19-D21 WeakPolarHBondContact CB-OD1 3.19Å; A19-D21 PolarHBondContact O-N 3.27Å; A19-S22 WeakPolarHBondContact O-CB 3.42Å; A19-S22 PolarHBondContact O-N 2.81Å; A19-S22 PolarHBondContact O-OG 2.98Å
20	V	53.1	Low	55.5	Low	65 Å²	65	74 Å²	74	39%	0.394	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-14.9	-171.4	-163.2	0	0	0	0	112.4	L725	V20-L725 HydrophobicContact CB-CB 4.41Å; V20-L725 HydrophobicContact CG1-CB 3.92Å; V20-L725 HydrophobicContact CG1-CD1 3.55Å; V20-L725 HydrophobicContact CG1-CD2 4.32Å; V20-L725 HydrophobicContact CG1-CG 4.1Å; V20-L725 HydrophobicContact CG2-CB 4.44Å
21	D	47.4	Very low	58.3	Low	92 Å²	92	72.8 Å²	72.8	49%	0.492	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	1.1	173.2	57.3	-16.5	0	0	0	113.9	A19 Q23 L728	A19-D21 WeakPolarHBondContact CB-OD1 3.19Å; A19-D21 PolarHBondContact O-N 3.27Å; D21-Q23 PolarHBondContact O-N 3.19Å; D21-L728 HydrophobicContact CB-CD1 4.05Å
22	S	52.9	Low	61.3	Low	25 Å²	25	66.3 Å²	66.3	18%	0.175	38%	0.383	C	S	.	.	S	Bend	trans	-53.8	137.4	170.7	71.7	0	0	0	0	109.6	I17 A19 I24	I17-S22 WeakPolarHBondContact O-CB 3.4Å; I17-S22 PolarHBondContact O-OG 2.8Å; A19-S22 WeakPolarHBondContact O-CB 3.42Å; A19-S22 PolarHBondContact O-N 2.81Å; A19-S22 PolarHBondContact O-OG 2.98Å; S22-I24 PolarHBondContact O-N 3.48Å; S22-I24 PolarHBondContact OG-O 3.5Å
23	Q	45.8	Very low	64.1	Low	210 Å²	210	66.1 Å²	66.1	98%	0.981	38%	0.376	S	S	*	.	S	Bend	trans	-62.2	-2.9	176.8	-66.7	-176.6	0.3	0	0	113.3	D21	D21-Q23 PolarHBondContact O-N 3.19Å
24	I	51.3	Low	66.5	Low	65 Å²	65	61.8 Å²	61.8	33%	0.333	35%	0.353	S	S	.	.	S	Bend	trans	-91.6	120.8	179.8	-58.9	167.8	0	0	0	108.5	S22 R48	S22-I24 PolarHBondContact O-N 3.48Å; S22-I24 PolarHBondContact OG-O 3.5Å; I24-R48 PolarHBondContact O-NH1 3.18Å
25	A	51.6	Low	69	Low	68 Å²	68	58.4 Å²	58.4	56%	0.562	34%	0.337	S	S	*	.			trans	-54.8	145.7	178.2	0	0	0	0	0	111.9	D27 G28	A25-D27 PolarHBondContact O-N 3.26Å; A25-G28 PolarHBondContact O-N 3.2Å
26	S	52.5	Low	71	Confident	87 Å²	87	53.4 Å²	53.4	61%	0.608	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-25.5	178.4	52.3	0	0	0	0	113.6
27	D	54.4	Low	72.3	Confident	159 Å²	159	55.6 Å²	55.6	85%	0.85	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	7.2	177.1	-80.1	-11.6	0	0	0	113.8	A25	A25-D27 PolarHBondContact O-N 3.26Å
28	G	67.5	Low	73.3	Confident	21 Å²	21	55.1 Å²	55.1	22%	0.216	33%	0.325	C	S	.	.			trans	-78.2	147	-177.3	0	0	0	0	0	114	A25 R48	A25-G28 PolarHBondContact O-N 3.2Å; G28-R48 WeakPolarHBondContact O-CG 3.27Å
29	S	82.3	Confident	74.3	Confident	65 Å²	65	58 Å²	58	46%	0.455	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	154.2	155.6	63.6	0	0	0	0	109.8	E45 V46	S29-E45 VanDerWaalsContact CB-OE2 3.31Å; S29-E45 WeakPolarHBondContact CB-OE2 3.16Å; S29-E45 PolarHBondContact OG-OE2 3.3Å; S29-V46 CarbonylContact C-O 3.13Å; S29-V46 VanDerWaalsContact CA-O 3.29Å; S29-V46 WeakPolarHBondContact CA-O 3.25Å
30	I	88.8	Confident	75.9	Confident	7 Å²	7	58.7 Å²	58.7	4%	0.036	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	138	173.6	-168.2	172.4	0	0	0	109	I17 W18 V32 V46 R48 L99 P107	I17-I30 HydrophobicContact CD1-CD1 3.8Å; W18-I30 HydrophobicContact CH2-CD1 4.03Å; W18-I30 HydrophobicContact CH2-CG2 4.16Å; W18-I30 HydrophobicContact CZ2-CD1 4.4Å; W18-I30 HydrophobicContact CZ3-CD1 4.47Å; W18-I30 HydrophobicContact CZ3-CG2 4.47Å; I30-V32 HydrophobicContact CG2-CG2 3.87Å; I30-V32 PolarHBondContact O-N 3.34Å; I30-V46 PolarHBondContact N-O 3.06Å; I30-V46 PolarHBondContact O-N 3.06Å; I30-R48 HydrophobicContact CG2-CG 4.33Å; I30-L99 HydrophobicContact CG2-CD2 4.04Å; I30-P107 HydrophobicContact CD1-CB 4.11Å; I30-P107 HydrophobicContact CD1-CG 4.42Å; I30-P107 HydrophobicContact CG1-CB 4.48Å
31	P	92.1	Very high	78	Confident	50 Å²	50	61.1 Å²	61.1	33%	0.325	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	121.4	170.2	25.3	-33.1	0	0	0	109.3	Q43 E45 P107	P31-Q43 HydrophobicContact CB-CG 4.21Å; P31-E45 WeakPolarHBondContact CB-OE1 3.44Å; P31-E45 WeakPolarHBondContact CD-OE1 3.47Å; P31-P107 WeakPolarHBondContact O-CB 3.3Å; P31-P107 WeakPolarHBondContact O-CG 3.45Å
32	V	95.3	Very high	80.3	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.9	176.8	-179.2	0	0	0	0	109.3	I30 F34 Q43 L44 V46 L99 P107 L109	I30-V32 HydrophobicContact CG2-CG2 3.87Å; I30-V32 PolarHBondContact O-N 3.34Å; V32-F34 HydrophobicContact CB-CE2 3.88Å; V32-F34 HydrophobicContact CB-CZ 3.99Å; V32-F34 HydrophobicContact CG1-CE1 4.11Å; V32-F34 HydrophobicContact CG1-CE2 3.88Å; V32-F34 HydrophobicContact CG1-CZ 3.69Å; V32-F34 VanDerWaalsContact O-CD2 3.31Å; V32-F34 WeakPolarHBondContact O-CD2 3.32Å; V32-F34 VanDerWaalsContact O-CE2 3.27Å; V32-F34 WeakPolarHBondContact O-CE2 3.41Å; V32-Q43 WeakPolarHBondContact O-CA 3.48Å; V32-L44 PolarHBondContact N-O 3.17Å; V32-L44 PolarHBondContact O-N 3.39Å; V32-V46 HydrophobicContact CB-CB 4.41Å; V32-V46 HydrophobicContact CB-CG2 3.99Å; V32-V46 HydrophobicContact CG2-CB 3.76Å; V32-V46 HydrophobicContact CG2-CG1 4.41Å; V32-V46 HydrophobicContact CG2-CG2 3.9Å; V32-L99 HydrophobicContact CG2-CD2 3.73Å; V32-P107 CarbonylContact C-O 3.54Å; V32-P107 VanDerWaalsContact CA-O 3.3Å; V32-P107 WeakPolarHBondContact CA-O 3.48Å; V32-P107 WeakPolarHBondContact CG1-O 3.39Å; V32-P107 HydrophobicContact CG2-CB 4.3Å; V32-L109 HydrophobicContact CG1-CB 4.41Å; V32-L109 HydrophobicContact CG1-CD1 4.02Å; V32-L109 HydrophobicContact CG1-CG 3.94Å
33	D	97.1	Very high	82.3	Confident	36 Å²	36	60.4 Å²	60.4	19%	0.193	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	128	177.1	-63.4	-19.4	0	0	0	110.2	Y41 Q43 P107 V108 L109	D33-Y41 HydrophobicContact CB-CD2 4.46Å; D33-Y41 HydrophobicContact CB-CE2 3.73Å; D33-Y41 PolarHBondContact OD1-OH 3.49Å; D33-Y41 VanDerWaalsContact OD1-OH 3.09Å; D33-Q43 WeakPolarHBondContact OD1-CG 3.32Å; D33-Q43 PolarHBondContact OD1-NE2 2.97Å; D33-P107 PolarHBondContact N-O 2.82Å; D33-V108 HydrophobicContact CB-CB 4.47Å; D33-V108 HydrophobicContact CB-CG1 4.32Å; D33-V108 HydrophobicContact CB-CG2 4.12Å; D33-V108 CarbonylContact O-C 3.53Å; D33-V108 WeakPolarHBondContact O-CA 3.41Å; D33-L109 PolarHBondContact O-N 2.99Å
34	F	97.6	Very high	84.7	Confident	1 Å²	1	51.5 Å²	51.5	0%	0.004	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122.4	179.8	-62.2	-84.6	0	0	0	110.3	V32 Y41 I42 L44 V46 I55 L59 F80 L109	V32-F34 HydrophobicContact CB-CE2 3.88Å; V32-F34 HydrophobicContact CB-CZ 3.99Å; V32-F34 HydrophobicContact CG1-CE1 4.11Å; V32-F34 HydrophobicContact CG1-CE2 3.88Å; V32-F34 HydrophobicContact CG1-CZ 3.69Å; V32-F34 VanDerWaalsContact O-CD2 3.31Å; V32-F34 WeakPolarHBondContact O-CD2 3.32Å; V32-F34 VanDerWaalsContact O-CE2 3.27Å; V32-F34 WeakPolarHBondContact O-CE2 3.41Å; F34-Y41 WeakPolarHBondContact O-CA 3.39Å; F34-I42 WeakPolarHBondContact CA-O 3.38Å; F34-I42 HydrophobicContact CB-CB 4.29Å; F34-I42 WeakPolarHBondContact CB-O 3.5Å; F34-I42 PolarHBondContact N-O 3.26Å; F34-I42 PolarHBondContact O-N 3.41Å; F34-L44 HydrophobicContact CD2-CB 4.4Å; F34-L44 HydrophobicContact CD2-CD1 4.12Å; F34-L44 HydrophobicContact CD2-CG 4.09Å; F34-L44 HydrophobicContact CE2-CB 3.79Å; F34-L44 HydrophobicContact CE2-CD1 3.82Å; F34-L44 HydrophobicContact CE2-CG 3.88Å; F34-L44 HydrophobicContact CZ-CD1 4.47Å; F34-V46 HydrophobicContact CE2-CG2 4.23Å; F34-V46 HydrophobicContact CZ-CG2 3.98Å; F34-I55 HydrophobicContact CE1-CG2 3.57Å; F34-I55 HydrophobicContact CZ-CG2 3.51Å; F34-L59 HydrophobicContact CB-CD1 3.74Å; F34-L59 HydrophobicContact CB-CD2 4.17Å; F34-L59 HydrophobicContact CD1-CD1 4.09Å; F34-L59 HydrophobicContact CD1-CD2 3.68Å; F34-L59 HydrophobicContact CD1-CG 4.31Å; F34-L59 HydrophobicContact CD2-CD1 4.04Å; F34-L59 HydrophobicContact CE1-CD2 4.33Å; F34-L59 HydrophobicContact CG-CD1 3.67Å; F34-L59 HydrophobicContact CG-CD2 4.06Å; F34-L59 HydrophobicContact CG-CG 4.38Å; F34-F80 AromaticContact CD1-CE1 3.62Å; F34-F80 HydrophobicContact CD1-CE1 3.62Å; F34-F80 AromaticContact CD1-CZ 3.77Å; F34-F80 HydrophobicContact CD1-CZ 3.77Å; F34-F80 AromaticContact CE1-CE1 3.91Å; F34-F80 HydrophobicContact CE1-CE1 3.91Å; F34-F80 HydrophobicContact CE1-CE2 4.39Å; F34-F80 AromaticContact CE1-CZ 3.62Å; F34-F80 HydrophobicContact CE1-CZ 3.62Å; F34-L109 VanDerWaalsContact CA-O 3.31Å; F34-L109 WeakPolarHBondContact CA-O 3.37Å; F34-L109 HydrophobicContact CD1-CB 4.05Å; F34-L109 HydrophobicContact CE1-CB 4.14Å; F34-L109 HydrophobicContact CE1-CD1 3.89Å
35	L	97.1	Very high	86.7	Confident	73 Å²	73	53.3 Å²	53.3	38%	0.382	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	108.5	176.8	-54.4	178.8	0	0	0	109.2	Y41 V108 L109 K110 L111	L35-Y41 HydrophobicContact CD2-CD2 4.09Å; L35-V108 HydrophobicContact CD1-CG1 3.85Å; L35-V108 HydrophobicContact CG-CG1 4.08Å; L35-L109 PolarHBondContact N-O 3.01Å; L35-K110 HydrophobicContact CB-CB 4.32Å; L35-K110 HydrophobicContact CB-CG 4.21Å; L35-L111 PolarHBondContact O-N 2.99Å
36	L	95.5	Very high	88.7	Confident	11 Å²	11	50.1 Å²	50.1	6%	0.058	29%	0.294	C	S	.	.			trans	-82.9	154.9	-179.4	-60.8	-175.8	0	0	0	112	T38 G39 I40 I42 L59 V63 L72 L111	L36-T38 PolarHBondContact O-N 3.31Å; L36-T38 VanDerWaalsContact O-N 3.12Å; L36-G39 PolarHBondContact O-N 3.06Å; L36-I40 HydrophobicContact CB-CB 4.2Å; L36-I40 WeakPolarHBondContact CB-O 3.48Å; L36-I40 HydrophobicContact CD1-CB 4.03Å; L36-I40 HydrophobicContact CD1-CG2 4.05Å; L36-I40 HydrophobicContact CG-CB 4.44Å; L36-I40 PolarHBondContact N-O 3Å; L36-I42 HydrophobicContact CD1-CD1 3.75Å; L36-I42 HydrophobicContact CD1-CG1 4.39Å; L36-I42 HydrophobicContact CG-CD1 4.47Å; L36-L59 HydrophobicContact CD2-CD2 3.96Å; L36-V63 HydrophobicContact CD1-CG1 4.09Å; L36-V63 HydrophobicContact CD2-CG1 4.45Å; L36-L72 HydrophobicContact CD1-CD1 4.32Å; L36-L111 HydrophobicContact CD2-CB 4.19Å; L36-L111 HydrophobicContact CD2-CD2 3.74Å
37	P	92.4	Very high	90.5	Very high	67 Å²	67	48.6 Å²	48.6	44%	0.435	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-24.7	178.7	-20.7	29.8	0	0	0	113.9	G39 L72 Y78 L111	P37-G39 PolarHBondContact O-N 3.21Å; P37-L72 HydrophobicContact CG-CD2 4.46Å; P37-Y78 HydrophobicContact CB-CE1 4.47Å; P37-Y78 HydrophobicContact CG-CD1 4.07Å; P37-Y78 HydrophobicContact CG-CE1 3.52Å; P37-L111 HydrophobicContact CG-CD2 4.4Å
38	T	92.8	Very high	91.9	Very high	38 Å²	38	42 Å²	42	23%	0.233	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-1.2	176.4	51.4	0	0	0	0	113.4	L36 M68 L71 L72	L36-T38 PolarHBondContact O-N 3.31Å; L36-T38 VanDerWaalsContact O-N 3.12Å; T38-M68 HydrophobicContact CG2-CB 4.33Å; T38-L71 HydrophobicContact CG2-CB 3.84Å; T38-L71 HydrophobicContact CG2-CD1 4.38Å; T38-L72 HydrophobicContact CG2-CD2 4.04Å
39	G	91.7	Very high	92.6	Very high	72 Å²	72	45 Å²	45	74%	0.742	25%	0.254	S	S	*	.	S	Bend	trans	84.5	8	-175.6	0	0	0	0	0	114.1	L36 P37	L36-G39 PolarHBondContact O-N 3.06Å; P37-G39 PolarHBondContact O-N 3.21Å
40	I	95.2	Very high	92.9	Very high	21 Å²	21	42.4 Å²	42.4	11%	0.108	24%	0.236	C	C	.	.			trans	-83.6	135.9	-179.2	-65.2	176.2	0	0	0	110.7	L36 I42 Y66 P67 M68	L36-I40 HydrophobicContact CB-CB 4.2Å; L36-I40 WeakPolarHBondContact CB-O 3.48Å; L36-I40 HydrophobicContact CD1-CB 4.03Å; L36-I40 HydrophobicContact CD1-CG2 4.05Å; L36-I40 HydrophobicContact CG-CB 4.44Å; L36-I40 PolarHBondContact N-O 3Å; I40-I42 HydrophobicContact CG2-CD1 4.46Å; I40-I42 HydrophobicContact CG2-CG1 4.03Å; I40-Y66 HydrophobicContact CG2-CD1 4.1Å; I40-Y66 HydrophobicContact CG2-CG 4.36Å; I40-P67 HydrophobicContact CD1-CG 4.03Å; I40-P67 WeakPolarHBondContact CD1-O 3.25Å; I40-M68 HydrophobicContact CD1-CB 3.88Å; I40-M68 HydrophobicContact CD1-CG 4.36Å
41	Y	95.9	Very high	93.1	Very high	115 Å²	115	44.2 Å²	44.2	45%	0.451	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	130.3	175	165.8	-94.3	0	0	0	110.4	D33 F34 L35 Q43	D33-Y41 HydrophobicContact CB-CD2 4.46Å; D33-Y41 HydrophobicContact CB-CE2 3.73Å; D33-Y41 PolarHBondContact OD1-OH 3.49Å; D33-Y41 VanDerWaalsContact OD1-OH 3.09Å; F34-Y41 WeakPolarHBondContact O-CA 3.39Å; L35-Y41 HydrophobicContact CD2-CD2 4.09Å; Y41-Q43 HydrophobicContact CE1-CB 4.32Å; Y41-Q43 PolarHBondContact OH-NE2 3Å
42	I	96	Very high	93.2	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	135.6	175.6	-56.7	-178	0	0	0	107.7	F34 L36 I40 L44 L59 V63 Y66	F34-I42 WeakPolarHBondContact CA-O 3.38Å; F34-I42 HydrophobicContact CB-CB 4.29Å; F34-I42 WeakPolarHBondContact CB-O 3.5Å; F34-I42 PolarHBondContact N-O 3.26Å; F34-I42 PolarHBondContact O-N 3.41Å; L36-I42 HydrophobicContact CD1-CD1 3.75Å; L36-I42 HydrophobicContact CD1-CG1 4.39Å; L36-I42 HydrophobicContact CG-CD1 4.47Å; I40-I42 HydrophobicContact CG2-CD1 4.46Å; I40-I42 HydrophobicContact CG2-CG1 4.03Å; I42-L44 HydrophobicContact CG2-CD1 4.42Å; I42-L44 HydrophobicContact CG2-CD2 3.91Å; I42-L44 HydrophobicContact CG2-CG 3.95Å; I42-L59 HydrophobicContact CB-CD1 4.31Å; I42-L59 HydrophobicContact CD1-CD1 4.02Å; I42-L59 HydrophobicContact CG2-CD1 4.25Å; I42-V63 HydrophobicContact CD1-CG1 4.14Å; I42-Y66 HydrophobicContact CB-CE2 4.46Å; I42-Y66 HydrophobicContact CD1-CD1 4.26Å; I42-Y66 HydrophobicContact CD1-CD2 3.48Å; I42-Y66 VanDerWaalsContact CD1-CD2 3.48Å; I42-Y66 HydrophobicContact CD1-CE1 4.49Å; I42-Y66 HydrophobicContact CD1-CE2 3.75Å; I42-Y66 HydrophobicContact CD1-CG 3.76Å; I42-Y66 HydrophobicContact CG1-CD1 3.9Å; I42-Y66 HydrophobicContact CG1-CD2 3.92Å; I42-Y66 HydrophobicContact CG1-CE1 3.85Å; I42-Y66 HydrophobicContact CG1-CE2 3.88Å; I42-Y66 HydrophobicContact CG1-CG 3.94Å; I42-Y66 HydrophobicContact CG2-CE2 3.88Å
43	Q	96.4	Very high	93.2	Very high	102 Å²	102	43.7 Å²	43.7	48%	0.477	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	129.5	172.7	-175.8	174	67.9	0	0	109.6	P31 V32 D33 Y41	P31-Q43 HydrophobicContact CB-CG 4.21Å; V32-Q43 WeakPolarHBondContact O-CA 3.48Å; D33-Q43 WeakPolarHBondContact OD1-CG 3.32Å; D33-Q43 PolarHBondContact OD1-NE2 2.97Å; Y41-Q43 HydrophobicContact CE1-CB 4.32Å; Y41-Q43 PolarHBondContact OH-NE2 3Å
44	L	95.3	Very high	93.1	Very high	23 Å²	23	47 Å²	47	12%	0.12	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	145.6	178.4	-52.5	172.3	0	0	0	111.1	V32 F34 I42 V46 L59 Q62	V32-L44 PolarHBondContact N-O 3.17Å; V32-L44 PolarHBondContact O-N 3.39Å; F34-L44 HydrophobicContact CD2-CB 4.4Å; F34-L44 HydrophobicContact CD2-CD1 4.12Å; F34-L44 HydrophobicContact CD2-CG 4.09Å; F34-L44 HydrophobicContact CE2-CB 3.79Å; F34-L44 HydrophobicContact CE2-CD1 3.82Å; F34-L44 HydrophobicContact CE2-CG 3.88Å; F34-L44 HydrophobicContact CZ-CD1 4.47Å; I42-L44 HydrophobicContact CG2-CD1 4.42Å; I42-L44 HydrophobicContact CG2-CD2 3.91Å; I42-L44 HydrophobicContact CG2-CG 3.95Å; L44-V46 HydrophobicContact CB-CG2 4.34Å; L44-V46 PolarHBondContact O-N 3.23Å; L44-L59 HydrophobicContact CD1-CB 4.39Å; L44-L59 HydrophobicContact CD1-CD1 4.14Å; L44-Q62 HydrophobicContact CD1-CB 4.42Å; L44-Q62 HydrophobicContact CD1-CG 4.19Å; L44-Q62 HydrophobicContact CD2-CB 4.22Å; L44-Q62 HydrophobicContact CD2-CG 3.74Å
45	E	94	Very high	93	Very high	103 Å²	103	47 Å²	47	48%	0.481	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	118.4	166.9	-74.9	-64.6	150.8	0	0	110	S29 P31	S29-E45 VanDerWaalsContact CB-OE2 3.31Å; S29-E45 WeakPolarHBondContact CB-OE2 3.16Å; S29-E45 PolarHBondContact OG-OE2 3.3Å; P31-E45 WeakPolarHBondContact CB-OE1 3.44Å; P31-E45 WeakPolarHBondContact CD-OE1 3.47Å
46	V	92.7	Very high	93	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	132.3	-173.3	174.4	0	0	0	0	110.1	S29 I30 V32 F34 L44 R48 A50 I55 L99	S29-V46 CarbonylContact C-O 3.13Å; S29-V46 VanDerWaalsContact CA-O 3.29Å; S29-V46 WeakPolarHBondContact CA-O 3.25Å; I30-V46 PolarHBondContact N-O 3.06Å; I30-V46 PolarHBondContact O-N 3.06Å; V32-V46 HydrophobicContact CB-CB 4.41Å; V32-V46 HydrophobicContact CB-CG2 3.99Å; V32-V46 HydrophobicContact CG2-CB 3.76Å; V32-V46 HydrophobicContact CG2-CG1 4.41Å; V32-V46 HydrophobicContact CG2-CG2 3.9Å; F34-V46 HydrophobicContact CE2-CG2 4.23Å; F34-V46 HydrophobicContact CZ-CG2 3.98Å; L44-V46 HydrophobicContact CB-CG2 4.34Å; L44-V46 PolarHBondContact O-N 3.23Å; V46-R48 PolarHBondContact O-N 3.1Å; V46-A50 HydrophobicContact CG1-CB 4.19Å; V46-I55 HydrophobicContact CG1-CD1 3.55Å; V46-I55 HydrophobicContact CG1-CG1 3.5Å; V46-I55 HydrophobicContact CG1-CG2 4.35Å; V46-I55 HydrophobicContact CG2-CG2 4.32Å; V46-L99 HydrophobicContact CG1-CD2 3.97Å
47	P	89.6	Confident	93	Very high	56 Å²	56	47.6 Å²	47.6	36%	0.364	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	135.5	172.3	-20	31.8	0	0	0	111.6	E49 A50	P47-E49 PolarHBondContact O-N 3.28Å; P47-A50 HydrophobicContact CB-CB 4.1Å; P47-A50 HydrophobicContact CG-CB 4.37Å; P47-A50 WeakPolarHBondContact O-CB 3.33Å; P47-A50 PolarHBondContact O-N 2.85Å
48	R	83.8	Confident	93.1	Very high	21 Å²	21	46.6 Å²	46.6	8%	0.079	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-36.2	179.7	-72.3	177.8	69.7	167.1	5	113.7	W18 I24 G28 I30 V46 A50 C100	W18-R48 HydrophobicContact CZ3-CG 4.35Å; W18-R48 PolarHBondContact O-NH2 2.99Å; W18-R48 VanDerWaalsContact O-NH2 3.11Å; I24-R48 PolarHBondContact O-NH1 3.18Å; G28-R48 WeakPolarHBondContact O-CG 3.27Å; I30-R48 HydrophobicContact CG2-CG 4.33Å; V46-R48 PolarHBondContact O-N 3.1Å; R48-A50 VanDerWaalsContact C-N 3.31Å; R48-C100 WeakPolarHBondContact O-CB 3.33Å; R48-C100 PolarHBondContact O-N 3.21Å
49	E	82.4	Confident	93.2	Very high	84 Å²	84	44.8 Å²	44.8	39%	0.393	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	3.3	-179.2	-60.4	-59.4	136.5	0	0	113.3	P47 R98 C100	P47-E49 PolarHBondContact O-N 3.28Å; E49-R98 WeakPolarHBondContact O-CD 3.47Å; E49-R98 WeakPolarHBondContact O-CG 3.43Å; E49-R98 WeakPolarHBondContact OE2-CD 3.39Å; E49-C100 PolarHBondContact OE1-SG 3.38Å; E49-C100 PolarHBondContact OE2-SG 3.4Å
50	A	89.6	Confident	93.4	Very high	9 Å²	9	43.3 Å²	43.3	7%	0.074	21%	0.207	C	C	.	.			trans	-65	137.6	176.5	0	0	0	0	0	111.1	V46 P47 R48 Y54 I55 R98 L99	V46-A50 HydrophobicContact CG1-CB 4.19Å; P47-A50 HydrophobicContact CB-CB 4.1Å; P47-A50 HydrophobicContact CG-CB 4.37Å; P47-A50 WeakPolarHBondContact O-CB 3.33Å; P47-A50 PolarHBondContact O-N 2.85Å; R48-A50 VanDerWaalsContact C-N 3.31Å; A50-Y54 HydrophobicContact CB-CD1 3.75Å; A50-Y54 HydrophobicContact CB-CE1 4.37Å; A50-I55 HydrophobicContact CB-CD1 3.91Å; A50-I55 HydrophobicContact CB-CG1 3.69Å; A50-R98 VanDerWaalsContact O-CA 3.32Å; A50-R98 WeakPolarHBondContact O-CA 3.41Å; A50-L99 PolarHBondContact O-N 2.97Å
51	T	92.5	Very high	93.3	Very high	46 Å²	46	49.6 Å²	49.6	28%	0.282	23%	0.234	S	C	.	.	B	Isolated β-bridge	trans	-68.4	147.6	171	62	0	0	0	0	110.3	S53 Y54 I55 T96 R97 R98	T51-S53 PolarHBondContact O-N 3.02Å; T51-Y54 WeakPolarHBondContact O-CB 3.26Å; T51-Y54 PolarHBondContact O-N 3.35Å; T51-Y54 WeakPolarHBondContact OG1-CB 3.35Å; T51-Y54 PolarHBondContact OG1-N 2.69Å; T51-I55 VanDerWaalsContact O-CG1 3.3Å; T51-I55 WeakPolarHBondContact O-CG1 3.47Å; T51-I55 PolarHBondContact O-N 3.2Å; T51-T96 WeakPolarHBondContact CG2-O 3.36Å; T51-R97 CarbonylContact C-O 3.17Å; T51-R97 VanDerWaalsContact CA-O 3.3Å; T51-R97 WeakPolarHBondContact CA-O 3.5Å; T51-R98 HydrophobicContact CG2-CG 4.43Å
52	I	95.2	Very high	93.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-55.9	-36.5	177.2	-65.7	-51.5	0	0	0	110.9	I55 K56 F80 L92 E95 R97 L99 V102	I52-I55 HydrophobicContact CD1-CD1 4.12Å; I52-I55 PolarHBondContact O-N 3.24Å; I52-K56 WeakPolarHBondContact O-CB 3.34Å; I52-K56 PolarHBondContact O-N 3.24Å; I52-F80 HydrophobicContact CG2-CB 4.39Å; I52-F80 HydrophobicContact CG2-CD2 3.71Å; I52-L92 HydrophobicContact CD1-CD1 3.97Å; I52-L92 HydrophobicContact CG1-CD1 4.18Å; I52-L92 HydrophobicContact CG2-CB 4.29Å; I52-L92 HydrophobicContact CG2-CD1 4.43Å; I52-E95 HydrophobicContact CB-CB 4.42Å; I52-E95 HydrophobicContact CG2-CB 4.29Å; I52-E95 HydrophobicContact CG2-CG 4.13Å; I52-E95 PolarHBondContact N-O 3.35Å; I52-R97 WeakPolarHBondContact CG1-O 3.47Å; I52-R97 PolarHBondContact N-O 3.39Å; I52-L99 HydrophobicContact CD1-CD1 4.39Å; I52-V102 HydrophobicContact CD1-CG2 4.19Å; I52-V102 HydrophobicContact CG1-CG2 4.17Å
53	S	94.5	Very high	93	Very high	38 Å²	38	47.8 Å²	47.8	27%	0.266	23%	0.23	S	C	.	.	H	α-helix	trans	-61.2	-45	173.5	175.4	0	0	0	0	112.1	T51 I55 K56 Q57 E95	T51-S53 PolarHBondContact O-N 3.02Å; S53-I55 VanDerWaalsContact C-N 3.34Å; S53-K56 PolarHBondContact O-N 3.16Å; S53-Q57 WeakPolarHBondContact O-CG 3.43Å; S53-Q57 PolarHBondContact O-N 3.46Å; S53-E95 WeakPolarHBondContact CB-O 3.32Å; S53-E95 PolarHBondContact N-O 2.81Å
54	Y	94.7	Very high	92.6	Very high	107 Å²	107	48 Å²	48	42%	0.42	23%	0.23	S	C	.	.	H	α-helix	trans	-65.3	-41	177.9	176.8	-101.2	0	0	0	111	A50 T51 K56 Q57 M58	A50-Y54 HydrophobicContact CB-CD1 3.75Å; A50-Y54 HydrophobicContact CB-CE1 4.37Å; T51-Y54 WeakPolarHBondContact O-CB 3.26Å; T51-Y54 PolarHBondContact O-N 3.35Å; T51-Y54 WeakPolarHBondContact OG1-CB 3.35Å; T51-Y54 PolarHBondContact OG1-N 2.69Å; Y54-K56 VanDerWaalsContact C-N 3.32Å; Y54-K56 PolarHBondContact O-N 2.85Å; Y54-Q57 WeakPolarHBondContact O-CB 3.3Å; Y54-Q57 PolarHBondContact O-N 3.14Å; Y54-M58 HydrophobicContact CD1-CG 4.18Å; Y54-M58 HydrophobicContact CD1-SD 3.77Å; Y54-M58 HydrophobicContact CE1-CG 3.82Å; Y54-M58 HydrophobicContact CE1-SD 3.19Å; Y54-M58 WeakPolarHBondContact CE1-SD 3.45Å; Y54-M58 WeakPolarHBondContact O-CG 3.37Å; Y54-M58 PolarHBondContact O-N 3.08Å
55	I	96.1	Very high	92.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.6	-42.1	176	-63.1	168	0	0	0	110.6	F34 V46 A50 T51 I52 S53 Q57 M58 L59 F80 L99 L109	F34-I55 HydrophobicContact CE1-CG2 3.57Å; F34-I55 HydrophobicContact CZ-CG2 3.51Å; V46-I55 HydrophobicContact CG1-CD1 3.55Å; V46-I55 HydrophobicContact CG1-CG1 3.5Å; V46-I55 HydrophobicContact CG1-CG2 4.35Å; V46-I55 HydrophobicContact CG2-CG2 4.32Å; A50-I55 HydrophobicContact CB-CD1 3.91Å; A50-I55 HydrophobicContact CB-CG1 3.69Å; T51-I55 VanDerWaalsContact O-CG1 3.3Å; T51-I55 WeakPolarHBondContact O-CG1 3.47Å; T51-I55 PolarHBondContact O-N 3.2Å; I52-I55 HydrophobicContact CD1-CD1 4.12Å; I52-I55 PolarHBondContact O-N 3.24Å; S53-I55 VanDerWaalsContact C-N 3.34Å; I55-Q57 VanDerWaalsContact C-N 3.32Å; I55-Q57 PolarHBondContact O-N 2.82Å; I55-M58 WeakPolarHBondContact O-CB 3.34Å; I55-M58 PolarHBondContact O-N 2.89Å; I55-L59 PolarHBondContact O-N 2.9Å; I55-F80 HydrophobicContact CG2-CE2 4.15Å; I55-F80 HydrophobicContact CG2-CZ 4.46Å; I55-L99 HydrophobicContact CD1-CB 3.8Å; I55-L99 HydrophobicContact CD1-CD2 4.22Å; I55-L99 HydrophobicContact CD1-CG 4.44Å; I55-L109 HydrophobicContact CG2-CD1 4.11Å
56	K	95.7	Very high	92.5	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.009	25%	0.246	C	C	.	.	H	α-helix	trans	-62.3	-41.7	177.2	-161.6	175.5	59.7	163.8	0	111.2	I52 S53 Y54 L59 W60 I75 Y78 F80 E95	I52-K56 WeakPolarHBondContact O-CB 3.34Å; I52-K56 PolarHBondContact O-N 3.24Å; S53-K56 PolarHBondContact O-N 3.16Å; Y54-K56 VanDerWaalsContact C-N 3.32Å; Y54-K56 PolarHBondContact O-N 2.85Å; K56-L59 PolarHBondContact O-N 2.97Å; K56-W60 PolarHBondContact O-N 3.16Å; K56-I75 HydrophobicContact CD-CG1 3.99Å; K56-I75 HydrophobicContact CG-CD1 4.11Å; K56-I75 HydrophobicContact CG-CG1 3.91Å; K56-I75 PolarHBondContact NZ-O 3.47Å; K56-Y78 PolarHBondContact NZ-O 2.83Å; K56-Y78 VanDerWaalsContact NZ-O 3.16Å; K56-F80 HydrophobicContact CB-CD2 4.29Å; K56-F80 HydrophobicContact CB-CE2 3.55Å; K56-F80 HydrophobicContact CB-CZ 4.2Å; K56-F80 HydrophobicContact CG-CE2 3.87Å; K56-F80 HydrophobicContact CG-CZ 4.19Å; K56-E95 VanDerWaalsContact CE-OE1 3.29Å; K56-E95 WeakPolarHBondContact CE-OE1 3.44Å; K56-E95 WeakPolarHBondContact CE-OE2 3.29Å; K56-E95 IonicContact NZ-OE1 3.2Å; K56-E95 PolarHBondContact NZ-OE1 3.16Å; K56-E95 IonicContact NZ-OE2 3.9Å; K56-E95 PolarHBondContact NZ-OE2 2.79Å
57	Q	95.6	Very high	92.5	Very high	95 Å²	95	55.7 Å²	55.7	44%	0.444	28%	0.275	S	S	.	.	H	α-helix	trans	-65.7	-39.2	174	-69.2	174.4	6.3	0	0	112.6	S53 Y54 I55 W60 K61 I75	S53-Q57 WeakPolarHBondContact O-CG 3.43Å; S53-Q57 PolarHBondContact O-N 3.46Å; Y54-Q57 WeakPolarHBondContact O-CB 3.3Å; Y54-Q57 PolarHBondContact O-N 3.14Å; I55-Q57 VanDerWaalsContact C-N 3.32Å; I55-Q57 PolarHBondContact O-N 2.82Å; Q57-W60 PolarHBondContact O-N 3.43Å; Q57-K61 WeakPolarHBondContact O-CG 3.42Å; Q57-K61 PolarHBondContact O-N 3.44Å; Q57-K61 VanDerWaalsContact O-N 3.13Å; Q57-I75 HydrophobicContact CG-CD1 4.15Å
58	M	94.8	Very high	92.5	Very high	45 Å²	45	58.5 Å²	58.5	22%	0.222	29%	0.285	C	S	.	.	H	α-helix	trans	-60.8	-45.7	173.8	-74.2	-176.1	68.2	0	0	111.4	Y54 I55 W60 K61	Y54-M58 HydrophobicContact CD1-CG 4.18Å; Y54-M58 HydrophobicContact CD1-SD 3.77Å; Y54-M58 HydrophobicContact CE1-CG 3.82Å; Y54-M58 HydrophobicContact CE1-SD 3.19Å; Y54-M58 WeakPolarHBondContact CE1-SD 3.45Å; Y54-M58 WeakPolarHBondContact O-CG 3.37Å; Y54-M58 PolarHBondContact O-N 3.08Å; I55-M58 WeakPolarHBondContact O-CB 3.34Å; I55-M58 PolarHBondContact O-N 2.89Å; M58-W60 PolarHBondContact O-N 3.19Å; M58-K61 PolarHBondContact O-N 2.83Å
59	L	95.8	Very high	92.8	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59.5	-45.6	175.1	178.8	64.4	0	0	0	111.2	F34 L36 I42 L44 I55 K56 K61 Q62 V63 F80	F34-L59 HydrophobicContact CB-CD1 3.74Å; F34-L59 HydrophobicContact CB-CD2 4.17Å; F34-L59 HydrophobicContact CD1-CD1 4.09Å; F34-L59 HydrophobicContact CD1-CD2 3.68Å; F34-L59 HydrophobicContact CD1-CG 4.31Å; F34-L59 HydrophobicContact CD2-CD1 4.04Å; F34-L59 HydrophobicContact CE1-CD2 4.33Å; F34-L59 HydrophobicContact CG-CD1 3.67Å; F34-L59 HydrophobicContact CG-CD2 4.06Å; F34-L59 HydrophobicContact CG-CG 4.38Å; L36-L59 HydrophobicContact CD2-CD2 3.96Å; I42-L59 HydrophobicContact CB-CD1 4.31Å; I42-L59 HydrophobicContact CD1-CD1 4.02Å; I42-L59 HydrophobicContact CG2-CD1 4.25Å; L44-L59 HydrophobicContact CD1-CB 4.39Å; L44-L59 HydrophobicContact CD1-CD1 4.14Å; I55-L59 PolarHBondContact O-N 2.9Å; K56-L59 PolarHBondContact O-N 2.97Å; L59-K61 VanDerWaalsContact C-N 3.26Å; L59-K61 PolarHBondContact O-N 3.47Å; L59-Q62 WeakPolarHBondContact O-CA 3.38Å; L59-Q62 PolarHBondContact O-N 3.37Å; L59-V63 HydrophobicContact CD1-CG1 4.15Å; L59-V63 HydrophobicContact CG-CG1 3.98Å; L59-V63 VanDerWaalsContact O-CG1 3.24Å; L59-V63 WeakPolarHBondContact O-CG1 3.42Å; L59-V63 PolarHBondContact O-N 3.33Å; L59-F80 HydrophobicContact CB-CZ 4.43Å; L59-F80 HydrophobicContact CD2-CE1 3.64Å; L59-F80 HydrophobicContact CD2-CZ 3.57Å
60	W	94.8	Very high	93.1	Very high	42 Å²	42	63.3 Å²	63.3	16%	0.159	31%	0.311	C	S	.	.	H	α-helix	trans	-64.4	-28	-178.8	-129.8	-99.9	0	0	0	114.1	K56 Q57 M58 Q62 V63 H64 L72 M73 I75 Y78 L111	K56-W60 PolarHBondContact O-N 3.16Å; Q57-W60 PolarHBondContact O-N 3.43Å; M58-W60 PolarHBondContact O-N 3.19Å; W60-Q62 PolarHBondContact O-N 3.4Å; W60-V63 HydrophobicContact CD2-CG2 4.47Å; W60-V63 HydrophobicContact CG-CG2 4.41Å; W60-V63 WeakPolarHBondContact O-CG2 3.49Å; W60-H64 PolarHBondContact O-CE1 3.1Å; W60-H64 PolarHBondContact O-ND1 3.28Å; W60-H64 VanDerWaalsContact O-ND1 3.12Å; W60-L72 HydrophobicContact CH2-CB 4.49Å; W60-L72 HydrophobicContact CH2-CD1 4.39Å; W60-L72 HydrophobicContact CZ2-CB 4.3Å; W60-L72 HydrophobicContact CZ2-CD1 4.49Å; W60-M73 VanDerWaalsContact CZ2-O 3.3Å; W60-M73 WeakPolarHBondContact CZ2-O 3.27Å; W60-I75 HydrophobicContact CB-CD1 3.81Å; W60-I75 HydrophobicContact CB-CG1 4.47Å; W60-I75 HydrophobicContact CD2-CB 3.73Å; W60-I75 HydrophobicContact CD2-CD1 4.05Å; W60-I75 HydrophobicContact CD2-CG1 3.71Å; W60-I75 HydrophobicContact CE3-CB 4.17Å; W60-I75 HydrophobicContact CE3-CD1 4.26Å; W60-I75 HydrophobicContact CE3-CG1 3.76Å; W60-I75 HydrophobicContact CG-CB 4.02Å; W60-I75 HydrophobicContact CG-CD1 3.84Å; W60-I75 HydrophobicContact CG-CG1 4.01Å; W60-I75 HydrophobicContact CZ2-CB 4.26Å; W60-I75 HydrophobicContact CZ3-CG1 4.33Å; W60-Y78 AromaticContact CH2-CD2 3.4Å; W60-Y78 HydrophobicContact CH2-CD2 3.4Å; W60-Y78 VanDerWaalsContact CH2-CD2 3.4Å; W60-Y78 AromaticContact CH2-CE2 3.73Å; W60-Y78 HydrophobicContact CH2-CE2 3.73Å; W60-Y78 HydrophobicContact CH2-CG 4.32Å; W60-Y78 HydrophobicContact CZ2-CD2 4.2Å; W60-Y78 HydrophobicContact CZ2-CE2 4.29Å; W60-Y78 HydrophobicContact CZ3-CD2 4.19Å; W60-L111 HydrophobicContact CH2-CD2 3.91Å; W60-L111 HydrophobicContact CZ3-CD1 4.31Å; W60-L111 HydrophobicContact CZ3-CD2 3.56Å
61	K	93.4	Very high	93.3	Very high	152 Å²	152	68.7 Å²	68.7	66%	0.661	34%	0.338	S	S	*	.	H	α-helix	trans	-67.9	-28.3	171.6	-71.3	173.1	-177.2	176.9	0	112	Q57 M58 L59	Q57-K61 WeakPolarHBondContact O-CG 3.42Å; Q57-K61 PolarHBondContact O-N 3.44Å; Q57-K61 VanDerWaalsContact O-N 3.13Å; M58-K61 PolarHBondContact O-N 2.83Å; L59-K61 VanDerWaalsContact C-N 3.26Å; L59-K61 PolarHBondContact O-N 3.47Å
62	Q	93.4	Very high	93.3	Very high	75 Å²	75	67.6 Å²	67.6	35%	0.35	33%	0.33	S	S	.	.	H	α-helix	trans	-93.8	-27.7	-176.2	-66.8	-70.4	-5.5	0	0	113.5	L44 L59 W60 H64 N65 Y66	L44-Q62 HydrophobicContact CD1-CB 4.42Å; L44-Q62 HydrophobicContact CD1-CG 4.19Å; L44-Q62 HydrophobicContact CD2-CB 4.22Å; L44-Q62 HydrophobicContact CD2-CG 3.74Å; L59-Q62 WeakPolarHBondContact O-CA 3.38Å; L59-Q62 PolarHBondContact O-N 3.37Å; W60-Q62 PolarHBondContact O-N 3.4Å; Q62-H64 PolarHBondContact O-N 2.97Å; Q62-H64 VanDerWaalsContact O-N 3.08Å; Q62-N65 WeakPolarHBondContact O-CB 3.4Å; Q62-N65 PolarHBondContact O-N 3.19Å; Q62-N65 PolarHBondContact OE1-ND2 3.34Å; Q62-N65 VanDerWaalsContact OE1-ND2 3.09Å; Q62-Y66 WeakPolarHBondContact O-CD2 3.49Å
63	V	92.4	Very high	93.1	Very high	4 Å²	4	72.7 Å²	72.7	2%	0.024	36%	0.355	C	S	.	.	H	α-helix	trans	-58	-29.5	-173.6	-62.5	0	0	0	0	113.8	L36 I42 L59 W60 N65 Y66 F69 L72	L36-V63 HydrophobicContact CD1-CG1 4.09Å; L36-V63 HydrophobicContact CD2-CG1 4.45Å; I42-V63 HydrophobicContact CD1-CG1 4.14Å; L59-V63 HydrophobicContact CD1-CG1 4.15Å; L59-V63 HydrophobicContact CG-CG1 3.98Å; L59-V63 VanDerWaalsContact O-CG1 3.24Å; L59-V63 WeakPolarHBondContact O-CG1 3.42Å; L59-V63 PolarHBondContact O-N 3.33Å; W60-V63 HydrophobicContact CD2-CG2 4.47Å; W60-V63 HydrophobicContact CG-CG2 4.41Å; W60-V63 WeakPolarHBondContact O-CG2 3.49Å; V63-N65 PolarHBondContact O-N 3.41Å; V63-Y66 PolarHBondContact O-N 3.17Å; V63-Y66 VanDerWaalsContact O-N 3.08Å; V63-F69 WeakPolarHBondContact O-CB 3.47Å; V63-L72 HydrophobicContact CB-CD1 4.06Å; V63-L72 HydrophobicContact CG1-CD1 4.2Å; V63-L72 HydrophobicContact CG2-CD1 4.22Å
64	H	89.2	Confident	92.9	Very high	106 Å²	106	74.8 Å²	74.8	49%	0.491	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-21.5	177.6	-60.3	85.8	0	0	0	113.3	W60 Q62 Y66 F69	W60-H64 PolarHBondContact O-CE1 3.1Å; W60-H64 PolarHBondContact O-ND1 3.28Å; W60-H64 VanDerWaalsContact O-ND1 3.12Å; Q62-H64 PolarHBondContact O-N 2.97Å; Q62-H64 VanDerWaalsContact O-N 3.08Å; H64-Y66 VanDerWaalsContact C-N 3.26Å; H64-F69 AromaticContact CD2-CD2 3.94Å; H64-F69 AromaticContact CD2-CE2 3.98Å
65	N	93.4	Very high	92.8	Very high	118 Å²	118	71.4 Å²	71.4	63%	0.631	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-4.3	178.1	-59.4	-31.3	0	0	0	112.5	Q62 V63	Q62-N65 WeakPolarHBondContact O-CB 3.4Å; Q62-N65 PolarHBondContact O-N 3.19Å; Q62-N65 PolarHBondContact OE1-ND2 3.34Å; Q62-N65 VanDerWaalsContact OE1-ND2 3.09Å; V63-N65 PolarHBondContact O-N 3.41Å
66	Y	93.5	Very high	92.5	Very high	77 Å²	77	76.7 Å²	76.7	30%	0.302	38%	0.381	S	S	.	.	S	Bend	trans	-112.1	153.8	-176.4	-70.6	-95.5	0	0	0	111	I40 I42 Q62 V63 H64	I40-Y66 HydrophobicContact CG2-CD1 4.1Å; I40-Y66 HydrophobicContact CG2-CG 4.36Å; I42-Y66 HydrophobicContact CB-CE2 4.46Å; I42-Y66 HydrophobicContact CD1-CD1 4.26Å; I42-Y66 HydrophobicContact CD1-CD2 3.48Å; I42-Y66 VanDerWaalsContact CD1-CD2 3.48Å; I42-Y66 HydrophobicContact CD1-CE1 4.49Å; I42-Y66 HydrophobicContact CD1-CE2 3.75Å; I42-Y66 HydrophobicContact CD1-CG 3.76Å; I42-Y66 HydrophobicContact CG1-CD1 3.9Å; I42-Y66 HydrophobicContact CG1-CD2 3.92Å; I42-Y66 HydrophobicContact CG1-CE1 3.85Å; I42-Y66 HydrophobicContact CG1-CE2 3.88Å; I42-Y66 HydrophobicContact CG1-CG 3.94Å; I42-Y66 HydrophobicContact CG2-CE2 3.88Å; Q62-Y66 WeakPolarHBondContact O-CD2 3.49Å; V63-Y66 PolarHBondContact O-N 3.17Å; V63-Y66 VanDerWaalsContact O-N 3.08Å; H64-Y66 VanDerWaalsContact C-N 3.26Å
67	P	91.7	Very high	92.2	Very high	92 Å²	92	78.1 Å²	78.1	60%	0.597	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	166.6	178	25	-34.3	0	0	0	111.7	I40 F69	I40-P67 HydrophobicContact CD1-CG 4.03Å; I40-P67 WeakPolarHBondContact CD1-O 3.25Å; P67-F69 PolarHBondContact O-N 2.9Å
68	M	90.7	Very high	92	Very high	116 Å²	116	74 Å²	74	57%	0.571	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	13.3	174.5	-48.6	-174.7	173.2	0	0	116.8	T38 I40 N70 L71	T38-M68 HydrophobicContact CG2-CB 4.33Å; I40-M68 HydrophobicContact CD1-CB 3.88Å; I40-M68 HydrophobicContact CD1-CG 4.36Å; M68-N70 PolarHBondContact O-N 2.86Å; M68-L71 HydrophobicContact CB-CD1 4.06Å; M68-L71 HydrophobicContact CB-CG 4.41Å; M68-L71 HydrophobicContact CG-CD1 4.45Å; M68-L71 WeakPolarHBondContact O-CB 3.43Å; M68-L71 PolarHBondContact O-N 2.69Å; M68-L71 HydrophobicContact SD-CD1 4.45Å
69	F	89.2	Confident	91.9	Very high	75 Å²	75	72 Å²	72	33%	0.329	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-58.9	-31.7	179.3	78.9	-89.8	0	0	0	112.5	V63 H64 P67 L71 L72	V63-F69 WeakPolarHBondContact O-CB 3.47Å; H64-F69 AromaticContact CD2-CD2 3.94Å; H64-F69 AromaticContact CD2-CE2 3.98Å; P67-F69 PolarHBondContact O-N 2.9Å; F69-L71 PolarHBondContact O-N 3.14Å; F69-L71 VanDerWaalsContact O-N 3.11Å; F69-L72 WeakPolarHBondContact O-CB 3.31Å; F69-L72 PolarHBondContact O-N 3.47Å
70	N	89.9	Confident	91.9	Very high	130 Å²	130	72 Å²	72	70%	0.695	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-61.7	-14.5	175.2	-70	-31.6	0	0	0	114.1	M68	M68-N70 PolarHBondContact O-N 2.86Å
71	L	92.9	Very high	91.8	Very high	122 Å²	122	70 Å²	70	64%	0.639	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-88.8	-8.3	175.8	-59	-178.1	0	0	0	112.7	T38 M68 F69	T38-L71 HydrophobicContact CG2-CB 3.84Å; T38-L71 HydrophobicContact CG2-CD1 4.38Å; M68-L71 HydrophobicContact CB-CD1 4.06Å; M68-L71 HydrophobicContact CB-CG 4.41Å; M68-L71 HydrophobicContact CG-CD1 4.45Å; M68-L71 WeakPolarHBondContact O-CB 3.43Å; M68-L71 PolarHBondContact O-N 2.69Å; M68-L71 HydrophobicContact SD-CD1 4.45Å; F69-L71 PolarHBondContact O-N 3.14Å; F69-L71 VanDerWaalsContact O-N 3.11Å
72	L	91.7	Very high	91.8	Very high	24 Å²	24	63 Å²	63	13%	0.126	32%	0.324	C	S	.	.			trans	-78.5	140.4	174.8	-59	176.7	0	0	0	109.9	L36 P37 T38 W60 V63 F69 Y78	L36-L72 HydrophobicContact CD1-CD1 4.32Å; P37-L72 HydrophobicContact CG-CD2 4.46Å; T38-L72 HydrophobicContact CG2-CD2 4.04Å; W60-L72 HydrophobicContact CH2-CB 4.49Å; W60-L72 HydrophobicContact CH2-CD1 4.39Å; W60-L72 HydrophobicContact CZ2-CB 4.3Å; W60-L72 HydrophobicContact CZ2-CD1 4.49Å; V63-L72 HydrophobicContact CB-CD1 4.06Å; V63-L72 HydrophobicContact CG1-CD1 4.2Å; V63-L72 HydrophobicContact CG2-CD1 4.22Å; F69-L72 WeakPolarHBondContact O-CB 3.31Å; F69-L72 PolarHBondContact O-N 3.47Å; L72-Y78 HydrophobicContact CB-CE2 4.43Å
73	M	92.5	Very high	91.6	Very high	107 Å²	107	62.9 Å²	62.9	53%	0.527	33%	0.328	S	S	.	.			trans	-72.2	-172.9	167.2	-59.8	176.5	67.9	0	0	110.7	W60 S77 Y78	W60-M73 VanDerWaalsContact CZ2-O 3.3Å; W60-M73 WeakPolarHBondContact CZ2-O 3.27Å; M73-S77 WeakPolarHBondContact CE-OG 3.41Å; M73-Y78 HydrophobicContact CB-CE2 3.68Å; M73-Y78 HydrophobicContact CG-CE2 4.49Å; M73-Y78 PolarHBondContact N-OH 2.87Å
74	D	90.2	Very high	91.4	Very high	81 Å²	81	63.2 Å²	63.2	43%	0.433	33%	0.33	S	S	.	.			trans	-63.3	159.5	170.9	65.2	-81.6	0	0	0	112.3	D76 S77 Y78	D74-D76 PolarHBondContact O-N 2.86Å; D74-D76 WeakPolarHBondContact OD2-CA 3.48Å; D74-D76 WeakPolarHBondContact OD2-CB 3.47Å; D74-D76 PolarHBondContact OD2-N 2.94Å; D74-S77 VanDerWaalsContact CG-OG 3.29Å; D74-S77 WeakPolarHBondContact O-CB 3.33Å; D74-S77 PolarHBondContact O-N 2.98Å; D74-S77 WeakPolarHBondContact OD1-CB 3.35Å; D74-S77 PolarHBondContact OD1-OG 3.12Å; D74-S77 PolarHBondContact OD2-N 2.85Å; D74-S77 PolarHBondContact OD2-OG 2.96Å; D74-Y78 VanDerWaalsContact O-CD2 3.24Å; D74-Y78 WeakPolarHBondContact O-CD2 3.37Å
75	I	91.9	Very high	91.1	Very high	37 Å²	37	61 Å²	61	19%	0.19	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-60.3	-29.5	-178.4	-171.1	174.8	0	0	0	113.3	K56 Q57 W60 Y78	K56-I75 HydrophobicContact CD-CG1 3.99Å; K56-I75 HydrophobicContact CG-CD1 4.11Å; K56-I75 HydrophobicContact CG-CG1 3.91Å; K56-I75 PolarHBondContact NZ-O 3.47Å; Q57-I75 HydrophobicContact CG-CD1 4.15Å; W60-I75 HydrophobicContact CB-CD1 3.81Å; W60-I75 HydrophobicContact CB-CG1 4.47Å; W60-I75 HydrophobicContact CD2-CB 3.73Å; W60-I75 HydrophobicContact CD2-CD1 4.05Å; W60-I75 HydrophobicContact CD2-CG1 3.71Å; W60-I75 HydrophobicContact CE3-CB 4.17Å; W60-I75 HydrophobicContact CE3-CD1 4.26Å; W60-I75 HydrophobicContact CE3-CG1 3.76Å; W60-I75 HydrophobicContact CG-CB 4.02Å; W60-I75 HydrophobicContact CG-CD1 3.84Å; W60-I75 HydrophobicContact CG-CG1 4.01Å; W60-I75 HydrophobicContact CZ2-CB 4.26Å; W60-I75 HydrophobicContact CZ3-CG1 4.33Å; I75-Y78 PolarHBondContact O-N 2.77Å
76	D	89.3	Confident	90.5	Very high	111 Å²	111	58.1 Å²	58.1	59%	0.594	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-82.5	-21.9	-176.3	-64.2	-36.7	0	0	0	111.8	D74 Y78 R114	D74-D76 PolarHBondContact O-N 2.86Å; D74-D76 WeakPolarHBondContact OD2-CA 3.48Å; D74-D76 WeakPolarHBondContact OD2-CB 3.47Å; D74-D76 PolarHBondContact OD2-N 2.94Å; D76-Y78 PolarHBondContact O-N 3.23Å; D76-R114 WeakPolarHBondContact O-CD 3.49Å; D76-R114 PolarHBondContact O-NE 3.33Å
77	S	90.2	Very high	90.1	Very high	32 Å²	32	57.3 Å²	57.3	22%	0.224	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-67.7	-10.1	169.9	-74.3	0	0	0	0	113.8	M73 D74 R114	M73-S77 WeakPolarHBondContact CE-OG 3.41Å; D74-S77 VanDerWaalsContact CG-OG 3.29Å; D74-S77 WeakPolarHBondContact O-CB 3.33Å; D74-S77 PolarHBondContact O-N 2.98Å; D74-S77 WeakPolarHBondContact OD1-CB 3.35Å; D74-S77 PolarHBondContact OD1-OG 3.12Å; D74-S77 PolarHBondContact OD2-N 2.85Å; D74-S77 PolarHBondContact OD2-OG 2.96Å; S77-R114 PolarHBondContact O-N 3.14Å
78	Y	91.5	Very high	89.7	Confident	9 Å²	9	53.2 Å²	53.2	4%	0.035	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	158.9	178.8	-60.1	-78.3	0	0	0	113.9	P37 K56 W60 L72 M73 D74 I75 D76 L111 V112 T113 R114	P37-Y78 HydrophobicContact CB-CE1 4.47Å; P37-Y78 HydrophobicContact CG-CD1 4.07Å; P37-Y78 HydrophobicContact CG-CE1 3.52Å; K56-Y78 PolarHBondContact NZ-O 2.83Å; K56-Y78 VanDerWaalsContact NZ-O 3.16Å; W60-Y78 AromaticContact CH2-CD2 3.4Å; W60-Y78 HydrophobicContact CH2-CD2 3.4Å; W60-Y78 VanDerWaalsContact CH2-CD2 3.4Å; W60-Y78 AromaticContact CH2-CE2 3.73Å; W60-Y78 HydrophobicContact CH2-CE2 3.73Å; W60-Y78 HydrophobicContact CH2-CG 4.32Å; W60-Y78 HydrophobicContact CZ2-CD2 4.2Å; W60-Y78 HydrophobicContact CZ2-CE2 4.29Å; W60-Y78 HydrophobicContact CZ3-CD2 4.19Å; L72-Y78 HydrophobicContact CB-CE2 4.43Å; M73-Y78 HydrophobicContact CB-CE2 3.68Å; M73-Y78 HydrophobicContact CG-CE2 4.49Å; M73-Y78 PolarHBondContact N-OH 2.87Å; D74-Y78 VanDerWaalsContact O-CD2 3.24Å; D74-Y78 WeakPolarHBondContact O-CD2 3.37Å; I75-Y78 PolarHBondContact O-N 2.77Å; D76-Y78 PolarHBondContact O-N 3.23Å; Y78-L111 HydrophobicContact CD1-CD2 4.11Å; Y78-L111 HydrophobicContact CD1-CG 4.01Å; Y78-L111 HydrophobicContact CD2-CD2 4.2Å; Y78-L111 HydrophobicContact CG-CD1 4.27Å; Y78-L111 HydrophobicContact CG-CD2 3.88Å; Y78-L111 HydrophobicContact CG-CG 3.92Å; Y78-V112 CarbonylContact C-O 3.19Å; Y78-V112 VanDerWaalsContact CA-O 3.3Å; Y78-V112 WeakPolarHBondContact CA-O 3.46Å; Y78-T113 HydrophobicContact CD1-CG2 4Å; Y78-T113 HydrophobicContact CE1-CG2 3.58Å; Y78-R114 PolarHBondContact O-NE 3.49Å
79	M	92.2	Very high	89.5	Confident	2 Å²	2	52 Å²	52	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	166.4	167.8	64.8	-171.3	179.7	0	0	109.3	E91 E93 V112 R114	M79-E91 HydrophobicContact CE-CB 4.05Å; M79-E91 HydrophobicContact CE-CG 4.22Å; M79-E91 WeakPolarHBondContact CE-OE2 3.32Å; M79-E93 HydrophobicContact SD-CG 4.05Å; M79-V112 HydrophobicContact CE-CG2 3.99Å; M79-V112 HydrophobicContact CG-CG2 3.8Å; M79-V112 PolarHBondContact N-O 2.95Å; M79-V112 PolarHBondContact O-N 3.38Å; M79-V112 VanDerWaalsContact O-O 3.12Å; M79-R114 HydrophobicContact CB-CG 4.13Å; M79-R114 HydrophobicContact CG-CG 4.21Å; M79-R114 HydrophobicContact SD-CG 4.3Å
80	F	95.1	Very high	89.4	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	156	174.4	-73.5	-59.7	0	0	0	112.1	F34 I52 I55 K56 L59 L92 L109 K110 L111	F34-F80 AromaticContact CD1-CE1 3.62Å; F34-F80 HydrophobicContact CD1-CE1 3.62Å; F34-F80 AromaticContact CD1-CZ 3.77Å; F34-F80 HydrophobicContact CD1-CZ 3.77Å; F34-F80 AromaticContact CE1-CE1 3.91Å; F34-F80 HydrophobicContact CE1-CE1 3.91Å; F34-F80 HydrophobicContact CE1-CE2 4.39Å; F34-F80 AromaticContact CE1-CZ 3.62Å; F34-F80 HydrophobicContact CE1-CZ 3.62Å; I52-F80 HydrophobicContact CG2-CB 4.39Å; I52-F80 HydrophobicContact CG2-CD2 3.71Å; I55-F80 HydrophobicContact CG2-CE2 4.15Å; I55-F80 HydrophobicContact CG2-CZ 4.46Å; K56-F80 HydrophobicContact CB-CD2 4.29Å; K56-F80 HydrophobicContact CB-CE2 3.55Å; K56-F80 HydrophobicContact CB-CZ 4.2Å; K56-F80 HydrophobicContact CG-CE2 3.87Å; K56-F80 HydrophobicContact CG-CZ 4.19Å; L59-F80 HydrophobicContact CB-CZ 4.43Å; L59-F80 HydrophobicContact CD2-CE1 3.64Å; L59-F80 HydrophobicContact CD2-CZ 3.57Å; F80-L92 HydrophobicContact CB-CB 4.42Å; F80-L92 HydrophobicContact CB-CD1 4.02Å; F80-L92 WeakPolarHBondContact O-CB 3.34Å; F80-L92 PolarHBondContact O-N 3.41Å; F80-L109 HydrophobicContact CD1-CB 3.76Å; F80-L109 HydrophobicContact CD2-CD1 4.3Å; F80-L109 HydrophobicContact CE1-CB 4.15Å; F80-L109 HydrophobicContact CE2-CD1 4.44Å; F80-L109 HydrophobicContact CG-CB 4.18Å; F80-L109 HydrophobicContact CG-CD1 4.29Å; F80-K110 CarbonylContact C-O 3.58Å; F80-K110 WeakPolarHBondContact CA-O 3.26Å; F80-L111 HydrophobicContact CD1-CB 4.33Å; F80-L111 HydrophobicContact CD1-CD1 3.95Å; F80-L111 HydrophobicContact CE1-CB 4.24Å; F80-L111 HydrophobicContact CE1-CD1 3.76Å; F80-L111 HydrophobicContact CZ-CD1 4.34Å
81	A	92.6	Very high	89.3	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	152	167.9	0	0	0	0	0	110.2	Y89 E90 E91 K110 V112	A81-Y89 HydrophobicContact CB-CE1 4.37Å; A81-Y89 HydrophobicContact CB-CE2 3.62Å; A81-Y89 VanDerWaalsContact CB-CZ 3.48Å; A81-Y89 WeakPolarHBondContact CB-OH 3.2Å; A81-E90 CarbonylContact C-O 3.56Å; A81-E90 WeakPolarHBondContact CA-O 3.39Å; A81-E91 HydrophobicContact CB-CG 4.31Å; A81-K110 PolarHBondContact N-O 3.39Å; A81-K110 PolarHBondContact O-N 3.06Å; A81-V112 HydrophobicContact CB-CG1 4.34Å; A81-V112 HydrophobicContact CB-CG2 4.07Å
82	C	93.3	Very high	89.1	Confident	6 Å²	6	37.9 Å²	37.9	4%	0.041	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	176.2	179.8	68.5	0	0	0	0	111.4	Y89 E90 P104 L109	C82-Y89 CarbonylContact O-C 3.6Å; C82-Y89 WeakPolarHBondContact O-CA 3.3Å; C82-E90 PolarHBondContact N-O 3.46Å; C82-E90 PolarHBondContact O-N 2.86Å; C82-P104 HydrophobicContact CB-CB 3.72Å; C82-L109 HydrophobicContact CB-CD2 3.96Å
83	V	91	Very high	88.6	Confident	71 Å²	71	39.9 Å²	39.9	43%	0.43	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	125	165.6	179	0	0	0	0	106.9	V88 P104 F105	V83-V88 WeakPolarHBondContact CA-O 3.48Å; V83-P104 CarbonylContact O-C 3.59Å; V83-P104 WeakPolarHBondContact O-CA 3.28Å; V83-F105 PolarHBondContact O-N 2.98Å
84	N	86.9	Confident	88.2	Confident	11 Å²	11	38.6 Å²	38.6	6%	0.059	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-87.7	177.6	-179.2	71.6	18.7	0	0	0	112.8	T86 A87 V88 E90	N84-T86 PolarHBondContact O-N 2.88Å; N84-T86 WeakPolarHBondContact OD1-CA 3.47Å; N84-T86 PolarHBondContact OD1-N 2.64Å; N84-T86 PolarHBondContact OD1-OG1 3.1Å; N84-A87 PolarHBondContact O-N 2.96Å; N84-A87 PolarHBondContact OD1-N 2.76Å; N84-V88 PolarHBondContact N-O 2.65Å; N84-V88 WeakPolarHBondContact OD1-CB 3.27Å; N84-V88 PolarHBondContact OD1-N 3.18Å; N84-V88 PolarHBondContact OD1-O 3.28Å; N84-E90 WeakPolarHBondContact CB-OE2 3.42Å; N84-E90 PolarHBondContact ND2-OE2 3.07Å; N84-E90 VanDerWaalsContact ND2-OE2 3.08Å
85	Q	83.8	Confident	88.1	Confident	59 Å²	59	35.8 Å²	35.8	28%	0.276	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-18.5	-179	-60.2	-58.8	-38.3	0	0	114.4	A87 R103 P104 F105	Q85-A87 VanDerWaalsContact C-N 3.35Å; Q85-R103 HydrophobicContact CG-CB 4.4Å; Q85-R103 WeakPolarHBondContact CG-O 3.27Å; Q85-R103 PolarHBondContact NE2-O 3.3Å; Q85-P104 PolarHBondContact NE2-O 3.24Å; Q85-F105 VanDerWaalsContact NE2-CA 3.34Å
86	T	81	Confident	87.9	Confident	59 Å²	59	38.7 Å²	38.7	36%	0.362	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	16.8	176.7	50.6	0	0	0	0	112.9	N84 V88	N84-T86 PolarHBondContact O-N 2.88Å; N84-T86 WeakPolarHBondContact OD1-CA 3.47Å; N84-T86 PolarHBondContact OD1-N 2.64Å; N84-T86 PolarHBondContact OD1-OG1 3.1Å; T86-V88 PolarHBondContact O-N 3.41Å; T86-V88 WeakPolarHBondContact OG1-CG2 3.44Å
87	A	85.6	Confident	87.7	Confident	60 Å²	60	35.9 Å²	35.9	50%	0.496	20%	0.195	S	C	.	.	S	Bend	trans	57.8	24.7	-175.9	0	0	0	0	0	114	N84 Q85 H135	N84-A87 PolarHBondContact O-N 2.96Å; N84-A87 PolarHBondContact OD1-N 2.76Å; Q85-A87 VanDerWaalsContact C-N 3.35Å; A87-H135 PolarHBondContact O-CE1 2.85Å
88	V	83.1	Confident	87.6	Confident	6 Å²	6	35.3 Å²	35.3	4%	0.036	19%	0.188	C	C	.	.			trans	-93	132.4	176.9	-176.7	0	0	0	0	109.1	V83 N84 T86 E90 V128	V83-V88 WeakPolarHBondContact CA-O 3.48Å; N84-V88 PolarHBondContact N-O 2.65Å; N84-V88 WeakPolarHBondContact OD1-CB 3.27Å; N84-V88 PolarHBondContact OD1-N 3.18Å; N84-V88 PolarHBondContact OD1-O 3.28Å; T86-V88 PolarHBondContact O-N 3.41Å; T86-V88 WeakPolarHBondContact OG1-CG2 3.44Å; V88-E90 PolarHBondContact O-N 3.14Å; V88-V128 HydrophobicContact CG1-CG2 4.14Å
89	Y	85.6	Confident	87.5	Confident	90 Å²	90	34.9 Å²	34.9	35%	0.353	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	115.2	167.6	178.4	-103.9	0	0	0	109.1	A81 C82 E91 S124	A81-Y89 HydrophobicContact CB-CE1 4.37Å; A81-Y89 HydrophobicContact CB-CE2 3.62Å; A81-Y89 VanDerWaalsContact CB-CZ 3.48Å; A81-Y89 WeakPolarHBondContact CB-OH 3.2Å; C82-Y89 CarbonylContact O-C 3.6Å; C82-Y89 WeakPolarHBondContact O-CA 3.3Å; Y89-E91 HydrophobicContact CD1-CG 4.38Å; Y89-E91 HydrophobicContact CE1-CG 3.68Å; Y89-S124 PolarHBondContact O-OG 3.03Å
90	E	87.5	Confident	87.1	Confident	10 Å²	10	35.4 Å²	35.4	5%	0.047	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	121.7	-173.4	-176.8	173.7	168.2	0	0	110.1	A81 C82 N84 V88 L92 R97 V128	A81-E90 CarbonylContact C-O 3.56Å; A81-E90 WeakPolarHBondContact CA-O 3.39Å; C82-E90 PolarHBondContact N-O 3.46Å; C82-E90 PolarHBondContact O-N 2.86Å; N84-E90 WeakPolarHBondContact CB-OE2 3.42Å; N84-E90 PolarHBondContact ND2-OE2 3.07Å; N84-E90 VanDerWaalsContact ND2-OE2 3.08Å; V88-E90 PolarHBondContact O-N 3.14Å; E90-L92 HydrophobicContact CG-CD2 3.92Å; E90-R97 IonicContact OE1-CZ 3.02Å; E90-R97 VanDerWaalsContact OE1-CZ 3.29Å; E90-R97 IonicContact OE1-NH1 2.68Å; E90-R97 PolarHBondContact OE1-NH1 3.18Å; E90-R97 IonicContact OE1-NH2 3.52Å; E90-R97 PolarHBondContact OE1-NH2 3.19Å; E90-V128 HydrophobicContact CB-CG2 4.13Å; E90-V128 HydrophobicContact CG-CG2 3.81Å
91	E	87.4	Confident	86.4	Confident	20 Å²	20	36.5 Å²	36.5	9%	0.093	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	124.9	173.8	-63.8	-174.3	-179.2	0	0	109.8	M79 A81 Y89 E93 C116 K121	M79-E91 HydrophobicContact CE-CB 4.05Å; M79-E91 HydrophobicContact CE-CG 4.22Å; M79-E91 WeakPolarHBondContact CE-OE2 3.32Å; A81-E91 HydrophobicContact CB-CG 4.31Å; Y89-E91 HydrophobicContact CD1-CG 4.38Å; Y89-E91 HydrophobicContact CE1-CG 3.68Å; E91-E93 PolarHBondContact O-N 3.39Å; E91-C116 PolarHBondContact OE1-SG 3.21Å; E91-K121 VanDerWaalsContact OE2-CG 3.31Å; E91-K121 WeakPolarHBondContact OE2-CG 3.32Å
92	L	88.8	Confident	86.1	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	70.9	-171.1	-52.5	177.7	0	0	0	110.7	I52 F80 E90 V102 L109	I52-L92 HydrophobicContact CD1-CD1 3.97Å; I52-L92 HydrophobicContact CG1-CD1 4.18Å; I52-L92 HydrophobicContact CG2-CB 4.29Å; I52-L92 HydrophobicContact CG2-CD1 4.43Å; F80-L92 HydrophobicContact CB-CB 4.42Å; F80-L92 HydrophobicContact CB-CD1 4.02Å; F80-L92 WeakPolarHBondContact O-CB 3.34Å; F80-L92 PolarHBondContact O-N 3.41Å; E90-L92 HydrophobicContact CG-CD2 3.92Å; L92-V102 HydrophobicContact CD1-CG1 3.93Å; L92-V102 HydrophobicContact CD1-CG2 4.23Å; L92-V102 HydrophobicContact CD2-CB 4.38Å; L92-V102 HydrophobicContact CD2-CG1 3.55Å; L92-V102 HydrophobicContact CD2-CG2 3.84Å; L92-V102 HydrophobicContact CG-CG1 4.39Å; L92-L109 HydrophobicContact CD1-CD2 3.99Å
93	E	81.9	Confident	85.7	Confident	67 Å²	67	39.2 Å²	39.2	31%	0.313	21%	0.206	S	C	.	.			trans	-65.2	-41.8	176.6	-69.3	179.3	-173	0	0	112.3	M79 E91 E95 K125	M79-E93 HydrophobicContact SD-CG 4.05Å; E91-E93 PolarHBondContact O-N 3.39Å; E93-E95 VanDerWaalsContact C-N 3.34Å; E93-E95 PolarHBondContact O-N 3.04Å; E93-K125 VanDerWaalsContact CD-NZ 3.3Å; E93-K125 IonicContact OE1-NZ 3.15Å; E93-K125 PolarHBondContact OE1-NZ 2.98Å; E93-K125 WeakPolarHBondContact OE2-CE 3.48Å; E93-K125 IonicContact OE2-NZ 2.85Å; E93-K125 PolarHBondContact OE2-NZ 3.14Å
94	D	82.8	Confident	85.7	Confident	79 Å²	79	35.9 Å²	35.9	42%	0.422	19%	0.186	S	C	.	.			trans	-78.7	87.3	176	-175.7	3.7	0	0	0	109.6	T96 R97	D94-T96 PolarHBondContact O-N 2.79Å; D94-T96 VanDerWaalsContact O-N 3.16Å; D94-T96 VanDerWaalsContact OD1-CB 3.29Å; D94-T96 WeakPolarHBondContact OD1-CB 3.3Å; D94-T96 PolarHBondContact OD1-N 3.37Å; D94-T96 PolarHBondContact OD1-OG1 2.85Å; D94-T96 PolarHBondContact OD2-OG1 3.26Å; D94-R97 HydrophobicContact CB-CG 4.18Å; D94-R97 WeakPolarHBondContact O-CB 3.44Å; D94-R97 PolarHBondContact O-N 3.08Å
95	E	89.1	Confident	85.8	Confident	22 Å²	22	39.2 Å²	39.2	10%	0.103	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-2.1	178.9	-62.3	-173.4	-178.1	0	0	113.1	I52 S53 K56 E93 R114	I52-E95 HydrophobicContact CB-CB 4.42Å; I52-E95 HydrophobicContact CG2-CB 4.29Å; I52-E95 HydrophobicContact CG2-CG 4.13Å; I52-E95 PolarHBondContact N-O 3.35Å; S53-E95 WeakPolarHBondContact CB-O 3.32Å; S53-E95 PolarHBondContact N-O 2.81Å; K56-E95 VanDerWaalsContact CE-OE1 3.29Å; K56-E95 WeakPolarHBondContact CE-OE1 3.44Å; K56-E95 WeakPolarHBondContact CE-OE2 3.29Å; K56-E95 IonicContact NZ-OE1 3.2Å; K56-E95 PolarHBondContact NZ-OE1 3.16Å; K56-E95 IonicContact NZ-OE2 3.9Å; K56-E95 PolarHBondContact NZ-OE2 2.79Å; E93-E95 VanDerWaalsContact C-N 3.34Å; E93-E95 PolarHBondContact O-N 3.04Å; E95-R114 IonicContact OE1-CZ 3.31Å; E95-R114 IonicContact OE1-NH2 2.63Å; E95-R114 PolarHBondContact OE1-NH2 3.03Å; E95-R114 IonicContact OE2-NH2 3.69Å
96	T	86.4	Confident	86.1	Confident	98 Å²	98	41.3 Å²	41.3	60%	0.601	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-21.1	173.4	75.6	0	0	0	0	112.6	T51 D94	T51-T96 WeakPolarHBondContact CG2-O 3.36Å; D94-T96 PolarHBondContact O-N 2.79Å; D94-T96 VanDerWaalsContact O-N 3.16Å; D94-T96 VanDerWaalsContact OD1-CB 3.29Å; D94-T96 WeakPolarHBondContact OD1-CB 3.3Å; D94-T96 PolarHBondContact OD1-N 3.37Å; D94-T96 PolarHBondContact OD1-OG1 2.85Å; D94-T96 PolarHBondContact OD2-OG1 3.26Å
97	R	86.7	Confident	86.5	Confident	53 Å²	53	39.8 Å²	39.8	20%	0.2	20%	0.203	C	C	.	.	S	Bend	trans	-58.4	148.7	174.9	-70.3	175	65.5	-162.9	2.3	111.1	T51 I52 E90 D94 V102	T51-R97 CarbonylContact C-O 3.17Å; T51-R97 VanDerWaalsContact CA-O 3.3Å; T51-R97 WeakPolarHBondContact CA-O 3.5Å; I52-R97 WeakPolarHBondContact CG1-O 3.47Å; I52-R97 PolarHBondContact N-O 3.39Å; E90-R97 IonicContact OE1-CZ 3.02Å; E90-R97 VanDerWaalsContact OE1-CZ 3.29Å; E90-R97 IonicContact OE1-NH1 2.68Å; E90-R97 PolarHBondContact OE1-NH1 3.18Å; E90-R97 IonicContact OE1-NH2 3.52Å; E90-R97 PolarHBondContact OE1-NH2 3.19Å; D94-R97 HydrophobicContact CB-CG 4.18Å; D94-R97 WeakPolarHBondContact O-CB 3.44Å; D94-R97 PolarHBondContact O-N 3.08Å; R97-V102 HydrophobicContact CB-CG2 4.16Å
98	R	87.6	Confident	87	Confident	20 Å²	20	38.8 Å²	38.8	8%	0.075	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-89.8	155.4	174.5	-54.3	171.8	-176.1	75.3	3.7	110.8	E49 A50 T51 C100 D101 V102 S749 E753	E49-R98 WeakPolarHBondContact O-CD 3.47Å; E49-R98 WeakPolarHBondContact O-CG 3.43Å; E49-R98 WeakPolarHBondContact OE2-CD 3.39Å; A50-R98 VanDerWaalsContact O-CA 3.32Å; A50-R98 WeakPolarHBondContact O-CA 3.41Å; T51-R98 HydrophobicContact CG2-CG 4.43Å; R98-C100 VanDerWaalsContact C-N 3.25Å; R98-C100 PolarHBondContact O-N 2.88Å; R98-D101 HydrophobicContact CB-CB 4.46Å; R98-D101 WeakPolarHBondContact CB-OD2 3.44Å; R98-D101 WeakPolarHBondContact CG-OD2 3.25Å; R98-D101 PolarHBondContact N-OD2 3.23Å; R98-D101 VanDerWaalsContact N-OD2 3.12Å; R98-D101 IonicContact NH1-OD2 2.72Å; R98-D101 PolarHBondContact NH1-OD2 2.85Å; R98-D101 WeakPolarHBondContact O-CA 3.44Å; R98-D101 WeakPolarHBondContact O-CB 3.25Å; R98-D101 PolarHBondContact O-N 2.98Å; R98-V102 WeakPolarHBondContact O-CG2 3.44Å; R98-V102 PolarHBondContact O-N 2.84Å; R98-S749 PolarHBondContact NH2-OG 3.42Å; R98-E753 IonicContact CZ-OE2 2.7Å; R98-E753 IonicContact NH1-OE2 3.79Å; R98-E753 PolarHBondContact NH1-OE2 2.85Å; R98-E753 IonicContact NH2-OE1 3.82Å; R98-E753 PolarHBondContact NH2-OE1 3.01Å; R98-E753 IonicContact NH2-OE2 2.59Å; R98-E753 PolarHBondContact NH2-OE2 2.8Å
99	L	89.1	Confident	87.7	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58	-39.4	177.7	-177.3	61.8	0	0	0	112.3	W18 I30 V32 V46 A50 I52 I55 D101 V102 R103 P104 L109	W18-L99 HydrophobicContact CH2-CD1 4.13Å; W18-L99 HydrophobicContact CH2-CD2 3.71Å; W18-L99 HydrophobicContact CH2-CG 3.53Å; W18-L99 HydrophobicContact CZ2-CG 4.43Å; W18-L99 HydrophobicContact CZ3-CD2 4.13Å; W18-L99 HydrophobicContact CZ3-CG 3.82Å; I30-L99 HydrophobicContact CG2-CD2 4.04Å; V32-L99 HydrophobicContact CG2-CD2 3.73Å; V46-L99 HydrophobicContact CG1-CD2 3.97Å; A50-L99 PolarHBondContact O-N 2.97Å; I52-L99 HydrophobicContact CD1-CD1 4.39Å; I55-L99 HydrophobicContact CD1-CB 3.8Å; I55-L99 HydrophobicContact CD1-CD2 4.22Å; I55-L99 HydrophobicContact CD1-CG 4.44Å; L99-D101 VanDerWaalsContact C-N 3.25Å; L99-D101 PolarHBondContact O-N 3.49Å; L99-V102 PolarHBondContact O-N 3.33Å; L99-R103 PolarHBondContact O-N 2.69Å; L99-P104 HydrophobicContact CD1-CG 4.05Å; L99-L109 HydrophobicContact CD1-CD1 4.33Å
100	C	82.7	Confident	88.2	Confident	12 Å²	12	39.1 Å²	39.1	8%	0.081	19%	0.194	C	C	.	.	H	α-helix	trans	-69.2	-16.3	174.1	65.9	0	0	0	0	114.7	W18 R48 E49 R98 R103	W18-C100 HydrophobicContact CE3-CB 4.47Å; R48-C100 WeakPolarHBondContact O-CB 3.33Å; R48-C100 PolarHBondContact O-N 3.21Å; E49-C100 PolarHBondContact OE1-SG 3.38Å; E49-C100 PolarHBondContact OE2-SG 3.4Å; R98-C100 VanDerWaalsContact C-N 3.25Å; R98-C100 PolarHBondContact O-N 2.88Å; C100-R103 WeakPolarHBondContact O-CG 3.01Å
101	D	81.1	Confident	88.5	Confident	24 Å²	24	38.7 Å²	38.7	13%	0.128	19%	0.192	C	C	.	.	H	α-helix	trans	-84.8	-35.7	172.8	-57.4	-30.9	0	0	0	110.5	R98 L99 K718	R98-D101 HydrophobicContact CB-CB 4.46Å; R98-D101 WeakPolarHBondContact CB-OD2 3.44Å; R98-D101 WeakPolarHBondContact CG-OD2 3.25Å; R98-D101 PolarHBondContact N-OD2 3.23Å; R98-D101 VanDerWaalsContact N-OD2 3.12Å; R98-D101 IonicContact NH1-OD2 2.72Å; R98-D101 PolarHBondContact NH1-OD2 2.85Å; R98-D101 WeakPolarHBondContact O-CA 3.44Å; R98-D101 WeakPolarHBondContact O-CB 3.25Å; R98-D101 PolarHBondContact O-N 2.98Å; L99-D101 VanDerWaalsContact C-N 3.25Å; L99-D101 PolarHBondContact O-N 3.49Å; D101-K718 WeakPolarHBondContact OD1-CE 3.39Å; D101-K718 IonicContact OD1-NZ 3.61Å; D101-K718 PolarHBondContact OD1-NZ 3.48Å
102	V	86.2	Confident	88.6	Confident	7 Å²	7	38.7 Å²	38.7	4%	0.042	19%	0.193	C	C	.	.	H	α-helix	trans	-72.2	-41	177.2	177.5	0	0	0	0	112	I52 L92 R97 R98 L99	I52-V102 HydrophobicContact CD1-CG2 4.19Å; I52-V102 HydrophobicContact CG1-CG2 4.17Å; L92-V102 HydrophobicContact CD1-CG1 3.93Å; L92-V102 HydrophobicContact CD1-CG2 4.23Å; L92-V102 HydrophobicContact CD2-CB 4.38Å; L92-V102 HydrophobicContact CD2-CG1 3.55Å; L92-V102 HydrophobicContact CD2-CG2 3.84Å; L92-V102 HydrophobicContact CG-CG1 4.39Å; R97-V102 HydrophobicContact CB-CG2 4.16Å; R98-V102 WeakPolarHBondContact O-CG2 3.44Å; R98-V102 PolarHBondContact O-N 2.84Å; L99-V102 PolarHBondContact O-N 3.33Å
103	R	86	Confident	88.6	Confident	56 Å²	56	41.5 Å²	41.5	21%	0.211	21%	0.211	C	C	.	.			trans	51.4	55.7	177.2	-55.2	176.7	66.3	175.3	5	113.5	D16 W18 Q85 L99 C100 F105	D16-R103 IonicContact OD1-NH2 2.73Å; D16-R103 IonicContact OD2-CZ 3.1Å; D16-R103 IonicContact OD2-NH2 2.68Å; D16-R103 PolarHBondContact OD2-NH2 3.07Å; W18-R103 HydrophobicContact CB-CB 4.18Å; W18-R103 HydrophobicContact CB-CG 3.89Å; W18-R103 HydrophobicContact CD2-CB 4.49Å; W18-R103 HydrophobicContact CG-CB 3.84Å; W18-R103 HydrophobicContact CG-CG 3.97Å; Q85-R103 HydrophobicContact CG-CB 4.4Å; Q85-R103 WeakPolarHBondContact CG-O 3.27Å; Q85-R103 PolarHBondContact NE2-O 3.3Å; L99-R103 PolarHBondContact O-N 2.69Å; C100-R103 WeakPolarHBondContact O-CG 3.01Å; R103-F105 PolarHBondContact O-N 3.37Å
104	P	90.1	Very high	88.5	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-60.3	139.4	179.2	32.1	-38.7	0	0	0	110.3	W18 C82 V83 Q85 L99 L106	W18-P104 HydrophobicContact CH2-CG 4.47Å; W18-P104 HydrophobicContact CZ2-CG 3.63Å; W18-P104 PolarHBondContact NE1-O 2.93Å; C82-P104 HydrophobicContact CB-CB 3.72Å; V83-P104 CarbonylContact O-C 3.59Å; V83-P104 WeakPolarHBondContact O-CA 3.28Å; Q85-P104 PolarHBondContact NE2-O 3.24Å; L99-P104 HydrophobicContact CD1-CG 4.05Å; P104-L106 CarbonylContact C-O 3.6Å; P104-L106 VanDerWaalsContact CB-O 3.23Å; P104-L106 WeakPolarHBondContact CB-O 3.44Å; P104-L106 WeakPolarHBondContact CG-O 3.42Å; P104-L106 PolarHBondContact O-N 3.07Å
105	F	89.3	Confident	87.7	Confident	82 Å²	82	44.3 Å²	44.3	36%	0.36	23%	0.229	S	C	.	.	S	Bend	trans	-49.7	-45	-176.5	176.7	-107.7	0	0	0	112.5	V83 Q85 R103	V83-F105 PolarHBondContact O-N 2.98Å; Q85-F105 VanDerWaalsContact NE2-CA 3.34Å; R103-F105 PolarHBondContact O-N 3.37Å
106	L	89.1	Confident	86.2	Confident	103 Å²	103	44.4 Å²	44.4	54%	0.539	23%	0.232	S	C	.	.	S	Bend	trans	-115.8	154.7	164.8	-67.4	172.9	0	0	0	108.6	P104 V108	P104-L106 CarbonylContact C-O 3.6Å; P104-L106 VanDerWaalsContact CB-O 3.23Å; P104-L106 WeakPolarHBondContact CB-O 3.44Å; P104-L106 WeakPolarHBondContact CG-O 3.42Å; P104-L106 PolarHBondContact O-N 3.07Å; L106-V108 HydrophobicContact CB-CG2 3.83Å; L106-V108 PolarHBondContact O-N 2.93Å
107	P	91.2	Very high	85.1	Confident	26 Å²	26	44.1 Å²	44.1	17%	0.169	23%	0.227	C	C	.	.	S	Bend	trans	-74.7	62	177.3	33.9	-34.1	0	0	0	110.4	I17 W18 I30 P31 V32 D33	I17-P107 HydrophobicContact CD1-CB 4.29Å; I17-P107 HydrophobicContact CD1-CG 4.12Å; W18-P107 HydrophobicContact CZ2-CB 4.34Å; I30-P107 HydrophobicContact CD1-CB 4.11Å; I30-P107 HydrophobicContact CD1-CG 4.42Å; I30-P107 HydrophobicContact CG1-CB 4.48Å; P31-P107 WeakPolarHBondContact O-CB 3.3Å; P31-P107 WeakPolarHBondContact O-CG 3.45Å; V32-P107 CarbonylContact C-O 3.54Å; V32-P107 VanDerWaalsContact CA-O 3.3Å; V32-P107 WeakPolarHBondContact CA-O 3.48Å; V32-P107 WeakPolarHBondContact CG1-O 3.39Å; V32-P107 HydrophobicContact CG2-CB 4.3Å; D33-P107 PolarHBondContact N-O 2.82Å
108	V	95.4	Very high	83.9	Confident	39 Å²	39	45.5 Å²	45.5	24%	0.236	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	122	-177.6	-175.5	0	0	0	0	108.4	D33 L35 L106	D33-V108 HydrophobicContact CB-CB 4.47Å; D33-V108 HydrophobicContact CB-CG1 4.32Å; D33-V108 HydrophobicContact CB-CG2 4.12Å; D33-V108 CarbonylContact O-C 3.53Å; D33-V108 WeakPolarHBondContact O-CA 3.41Å; L35-V108 HydrophobicContact CD1-CG1 3.85Å; L35-V108 HydrophobicContact CG-CG1 4.08Å; L106-V108 HydrophobicContact CB-CG2 3.83Å; L106-V108 PolarHBondContact O-N 2.93Å
109	L	96.6	Very high	82.6	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	117.6	175.9	-64.8	-179	0	0	0	109.8	V32 D33 F34 L35 I55 F80 C82 L92 L99	V32-L109 HydrophobicContact CG1-CB 4.41Å; V32-L109 HydrophobicContact CG1-CD1 4.02Å; V32-L109 HydrophobicContact CG1-CG 3.94Å; D33-L109 PolarHBondContact O-N 2.99Å; F34-L109 VanDerWaalsContact CA-O 3.31Å; F34-L109 WeakPolarHBondContact CA-O 3.37Å; F34-L109 HydrophobicContact CD1-CB 4.05Å; F34-L109 HydrophobicContact CE1-CB 4.14Å; F34-L109 HydrophobicContact CE1-CD1 3.89Å; L35-L109 PolarHBondContact N-O 3.01Å; I55-L109 HydrophobicContact CG2-CD1 4.11Å; F80-L109 HydrophobicContact CD1-CB 3.76Å; F80-L109 HydrophobicContact CD2-CD1 4.3Å; F80-L109 HydrophobicContact CE1-CB 4.15Å; F80-L109 HydrophobicContact CE2-CD1 4.44Å; F80-L109 HydrophobicContact CG-CB 4.18Å; F80-L109 HydrophobicContact CG-CD1 4.29Å; C82-L109 HydrophobicContact CB-CD2 3.96Å; L92-L109 HydrophobicContact CD1-CD2 3.99Å; L99-L109 HydrophobicContact CD1-CD1 4.33Å
110	K	96.1	Very high	81.5	Confident	103 Å²	103	50.9 Å²	50.9	45%	0.448	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	126.6	173.8	-175.4	-178.2	179.1	-175	0	109.5	L35 F80 A81 V112	L35-K110 HydrophobicContact CB-CB 4.32Å; L35-K110 HydrophobicContact CB-CG 4.21Å; F80-K110 CarbonylContact C-O 3.58Å; F80-K110 WeakPolarHBondContact CA-O 3.26Å; A81-K110 PolarHBondContact N-O 3.39Å; A81-K110 PolarHBondContact O-N 3.06Å; K110-V112 HydrophobicContact CD-CG1 4.04Å; K110-V112 HydrophobicContact CG-CG1 3.98Å
111	L	94.3	Very high	81	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	123.9	173.7	-170.8	77.8	0	0	0	109.1	L35 L36 P37 W60 Y78 F80	L35-L111 PolarHBondContact O-N 2.99Å; L36-L111 HydrophobicContact CD2-CB 4.19Å; L36-L111 HydrophobicContact CD2-CD2 3.74Å; P37-L111 HydrophobicContact CG-CD2 4.4Å; W60-L111 HydrophobicContact CH2-CD2 3.91Å; W60-L111 HydrophobicContact CZ3-CD1 4.31Å; W60-L111 HydrophobicContact CZ3-CD2 3.56Å; Y78-L111 HydrophobicContact CD1-CD2 4.11Å; Y78-L111 HydrophobicContact CD1-CG 4.01Å; Y78-L111 HydrophobicContact CD2-CD2 4.2Å; Y78-L111 HydrophobicContact CG-CD1 4.27Å; Y78-L111 HydrophobicContact CG-CD2 3.88Å; Y78-L111 HydrophobicContact CG-CG 3.92Å; F80-L111 HydrophobicContact CD1-CB 4.33Å; F80-L111 HydrophobicContact CD1-CD1 3.95Å; F80-L111 HydrophobicContact CE1-CB 4.24Å; F80-L111 HydrophobicContact CE1-CD1 3.76Å; F80-L111 HydrophobicContact CZ-CD1 4.34Å
112	V	90.9	Very high	81	Confident	20 Å²	20	52.1 Å²	52.1	12%	0.121	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	151	-177.2	-63.2	0	0	0	0	110.8	Y78 M79 A81 K110	Y78-V112 CarbonylContact C-O 3.19Å; Y78-V112 VanDerWaalsContact CA-O 3.3Å; Y78-V112 WeakPolarHBondContact CA-O 3.46Å; M79-V112 HydrophobicContact CE-CG2 3.99Å; M79-V112 HydrophobicContact CG-CG2 3.8Å; M79-V112 PolarHBondContact N-O 2.95Å; M79-V112 PolarHBondContact O-N 3.38Å; M79-V112 VanDerWaalsContact O-O 3.12Å; A81-V112 HydrophobicContact CB-CG1 4.34Å; A81-V112 HydrophobicContact CB-CG2 4.07Å; K110-V112 HydrophobicContact CD-CG1 4.04Å; K110-V112 HydrophobicContact CG-CG1 3.98Å
113	T	88.3	Confident	80.9	Confident	59 Å²	59	54 Å²	54	36%	0.362	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	138.7	179.6	48.5	0	0	0	0	110.7	Y78 S115	Y78-T113 HydrophobicContact CD1-CG2 4Å; Y78-T113 HydrophobicContact CE1-CG2 3.58Å; T113-S115 PolarHBondContact O-N 3Å
114	R	79.7	Confident	80.7	Confident	95 Å²	95	52 Å²	52	36%	0.358	28%	0.28	S	S	.	.	S	Bend	trans	-64.6	-19.3	177.8	-71.3	-161.6	173.3	-130.4	-9.3	113.7	D76 S77 Y78 M79 E95 C116 K121	D76-R114 WeakPolarHBondContact O-CD 3.49Å; D76-R114 PolarHBondContact O-NE 3.33Å; S77-R114 PolarHBondContact O-N 3.14Å; Y78-R114 PolarHBondContact O-NE 3.49Å; M79-R114 HydrophobicContact CB-CG 4.13Å; M79-R114 HydrophobicContact CG-CG 4.21Å; M79-R114 HydrophobicContact SD-CG 4.3Å; E95-R114 IonicContact OE1-CZ 3.31Å; E95-R114 IonicContact OE1-NH2 2.63Å; E95-R114 PolarHBondContact OE1-NH2 3.03Å; E95-R114 IonicContact OE2-NH2 3.69Å; R114-C116 PolarHBondContact O-N 3.46Å; R114-K121 PolarHBondContact O-NZ 3.26Å
115	S	65	Low	80.5	Confident	109 Å²	109	56.4 Å²	56.4	76%	0.762	30%	0.299	S	S	*	.			trans	-77.2	36.1	176.5	76.2	0	0	0	0	113.9	T113	T113-S115 PolarHBondContact O-N 3Å
116	C	58.5	Low	80.6	Confident	25 Å²	25	52.5 Å²	52.5	17%	0.169	28%	0.282	C	S	.	.			trans	-73.8	149.1	171	-172.7	0	0	0	0	110.2	E91 R114 K121	E91-C116 PolarHBondContact OE1-SG 3.21Å; R114-C116 PolarHBondContact O-N 3.46Å; C116-K121 VanDerWaalsContact O-CE 3.23Å; C116-K121 WeakPolarHBondContact O-CE 2.85Å; C116-K121 PolarHBondContact O-NZ 2.8Å; C116-K121 VanDerWaalsContact O-NZ 3.17Å
117	D	63.4	Low	80.6	Confident	92 Å²	92	47.7 Å²	47.7	49%	0.492	26%	0.257	S	S	.	.			trans	-53.2	124.6	179.3	-175.8	-17	0	0	0	109.8	G119 E120 K121	D117-G119 PolarHBondContact O-N 2.98Å; D117-G119 PolarHBondContact OD1-N 2.81Å; D117-E120 HydrophobicContact CB-CG 4.33Å; D117-E120 PolarHBondContact O-N 3.12Å; D117-E120 VanDerWaalsContact O-N 3.12Å; D117-K121 PolarHBondContact O-N 3.33Å
118	P	61.1	Low	80.4	Confident	81 Å²	81	48.4 Å²	48.4	53%	0.526	26%	0.261	S	S	.	.	H	α-helix	trans	-49.3	-27.9	174	-26.8	34.1	0	0	0	114.2	L122	P118-L122 PolarHBondContact O-N 3.24Å
119	G	61.3	Low	80.3	Confident	12 Å²	12	46.7 Å²	46.7	12%	0.124	25%	0.25	C	S	.	.	H	α-helix	trans	-66.9	-49.5	176.3	0	0	0	0	0	113.9	D117 K121 L122 D123	D117-G119 PolarHBondContact O-N 2.98Å; D117-G119 PolarHBondContact OD1-N 2.81Å; G119-K121 VanDerWaalsContact C-N 3.27Å; G119-K121 PolarHBondContact O-N 3.42Å; G119-L122 PolarHBondContact O-N 2.92Å; G119-D123 PolarHBondContact O-N 3.42Å; G119-D123 VanDerWaalsContact O-N 3.17Å
120	E	65.1	Low	80.1	Confident	122 Å²	122	46.7 Å²	46.7	57%	0.57	25%	0.25	S	S	*	.	H	α-helix	trans	-65.1	-34.1	179.7	-66.3	-174.3	169.8	0	0	111.3	D117 D123 S124	D117-E120 HydrophobicContact CB-CG 4.33Å; D117-E120 PolarHBondContact O-N 3.12Å; D117-E120 VanDerWaalsContact O-N 3.12Å; E120-D123 PolarHBondContact O-N 3.23Å; E120-S124 PolarHBondContact O-N 3.36Å
121	K	72	Confident	79.7	Confident	40 Å²	40	42.9 Å²	42.9	17%	0.174	24%	0.24	C	C	.	.	H	α-helix	trans	-61.7	-45.2	173.8	-70.9	175.6	-179.3	174.4	0	113.3	E91 R114 C116 D117 G119 D123 S124 K125	E91-K121 VanDerWaalsContact OE2-CG 3.31Å; E91-K121 WeakPolarHBondContact OE2-CG 3.32Å; R114-K121 PolarHBondContact O-NZ 3.26Å; C116-K121 VanDerWaalsContact O-CE 3.23Å; C116-K121 WeakPolarHBondContact O-CE 2.85Å; C116-K121 PolarHBondContact O-NZ 2.8Å; C116-K121 VanDerWaalsContact O-NZ 3.17Å; D117-K121 PolarHBondContact O-N 3.33Å; G119-K121 VanDerWaalsContact C-N 3.27Å; G119-K121 PolarHBondContact O-N 3.42Å; K121-D123 VanDerWaalsContact C-N 3.32Å; K121-S124 PolarHBondContact O-N 3.08Å; K121-K125 PolarHBondContact O-N 3.1Å; K121-K125 VanDerWaalsContact O-N 3.13Å
122	L	81.6	Confident	79.3	Confident	21 Å²	21	44.3 Å²	44.3	11%	0.11	25%	0.246	C	C	.	.	H	α-helix	trans	-65.1	-40.7	178.4	179.3	60.9	0	0	0	110.8	P118 G119 S124 K125 I126 A303 M706	P118-L122 PolarHBondContact O-N 3.24Å; G119-L122 PolarHBondContact O-N 2.92Å; L122-S124 VanDerWaalsContact C-N 3.34Å; L122-S124 PolarHBondContact O-N 3.45Å; L122-K125 PolarHBondContact O-N 3.17Å; L122-I126 HydrophobicContact CD1-CD1 4.13Å; L122-I126 HydrophobicContact CD1-CG1 4.25Å; L122-I126 HydrophobicContact CD2-CD1 4.47Å; L122-I126 HydrophobicContact CG-CD1 3.83Å; L122-I126 HydrophobicContact CG-CG1 4.38Å; L122-I126 VanDerWaalsContact O-CG1 3.24Å; L122-I126 WeakPolarHBondContact O-CG1 3.49Å; L122-I126 PolarHBondContact O-N 2.99Å; L122-A303 HydrophobicContact CD2-CB 4.38Å; L122-M706 HydrophobicContact CD1-CE 4.25Å; L122-M706 HydrophobicContact CD1-SD 4.07Å
123	D	83.6	Confident	78.9	Confident	47 Å²	47	43.3 Å²	43.3	25%	0.251	24%	0.24	S	C	.	.	H	α-helix	trans	-62.9	-40.2	179.6	-78.9	14.6	0	0	0	112.2	G119 E120 K121 I126 G127 L134 R700	G119-D123 PolarHBondContact O-N 3.42Å; G119-D123 VanDerWaalsContact O-N 3.17Å; E120-D123 PolarHBondContact O-N 3.23Å; K121-D123 VanDerWaalsContact C-N 3.32Å; D123-I126 PolarHBondContact O-N 3.14Å; D123-G127 PolarHBondContact O-N 3.11Å; D123-L134 HydrophobicContact CB-CD1 3.79Å; D123-R700 VanDerWaalsContact CG-NH2 3.25Å; D123-R700 IonicContact OD1-CZ 2.8Å; D123-R700 IonicContact OD1-NH1 3.12Å; D123-R700 PolarHBondContact OD1-NH1 3.19Å; D123-R700 IonicContact OD1-NH2 2.71Å; D123-R700 PolarHBondContact OD1-NH2 3.32Å; D123-R700 IonicContact OD2-NH2 2.8Å; D123-R700 PolarHBondContact OD2-NH2 2.66Å; D123-R700 VanDerWaalsContact OD2-NH2 3.16Å
124	S	82.2	Confident	79	Confident	13 Å²	13	41.1 Å²	41.1	9%	0.091	23%	0.226	C	C	.	.	H	α-helix	trans	-58.6	-52.6	170.2	163.3	0	0	0	0	111.9	Y89 E120 K121 L122 I126 G127 V128	Y89-S124 PolarHBondContact O-OG 3.03Å; E120-S124 PolarHBondContact O-N 3.36Å; K121-S124 PolarHBondContact O-N 3.08Å; L122-S124 VanDerWaalsContact C-N 3.34Å; L122-S124 PolarHBondContact O-N 3.45Å; S124-I126 VanDerWaalsContact C-N 3.3Å; S124-I126 PolarHBondContact O-N 3.33Å; S124-G127 PolarHBondContact O-N 2.99Å; S124-G127 VanDerWaalsContact O-N 3.11Å; S124-V128 WeakPolarHBondContact O-CG2 3.07Å; S124-V128 PolarHBondContact O-N 2.83Å
125	K	85.9	Confident	79.2	Confident	94 Å²	94	41 Å²	41	41%	0.409	23%	0.229	S	C	.	.	H	α-helix	trans	-57.7	-41.5	178.4	-73.3	173.2	179.6	166.9	0	112.5	E93 K121 L122 L129 M706	E93-K125 VanDerWaalsContact CD-NZ 3.3Å; E93-K125 IonicContact OE1-NZ 3.15Å; E93-K125 PolarHBondContact OE1-NZ 2.98Å; E93-K125 WeakPolarHBondContact OE2-CE 3.48Å; E93-K125 IonicContact OE2-NZ 2.85Å; E93-K125 PolarHBondContact OE2-NZ 3.14Å; K121-K125 PolarHBondContact O-N 3.1Å; K121-K125 VanDerWaalsContact O-N 3.13Å; L122-K125 PolarHBondContact O-N 3.17Å; K125-L129 WeakPolarHBondContact O-CB 3.4Å; K125-L129 PolarHBondContact O-N 3.2Å; K125-L129 VanDerWaalsContact O-N 3.08Å; K125-M706 HydrophobicContact CB-CE 3.93Å
126	I	91.3	Very high	80.3	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.9	-48.2	176.2	-67.6	169	0	0	0	110.2	L122 D123 S124 V128 L129 I130 L134 E696 C699 R700 M706	L122-I126 HydrophobicContact CD1-CD1 4.13Å; L122-I126 HydrophobicContact CD1-CG1 4.25Å; L122-I126 HydrophobicContact CD2-CD1 4.47Å; L122-I126 HydrophobicContact CG-CD1 3.83Å; L122-I126 HydrophobicContact CG-CG1 4.38Å; L122-I126 VanDerWaalsContact O-CG1 3.24Å; L122-I126 WeakPolarHBondContact O-CG1 3.49Å; L122-I126 PolarHBondContact O-N 2.99Å; D123-I126 PolarHBondContact O-N 3.14Å; S124-I126 VanDerWaalsContact C-N 3.3Å; S124-I126 PolarHBondContact O-N 3.33Å; I126-V128 VanDerWaalsContact C-N 3.34Å; I126-V128 PolarHBondContact O-N 2.82Å; I126-L129 PolarHBondContact O-N 2.69Å; I126-I130 HydrophobicContact CG2-CD1 3.48Å; I126-I130 VanDerWaalsContact CG2-CD1 3.48Å; I126-I130 HydrophobicContact CG2-CG1 4.22Å; I126-I130 VanDerWaalsContact O-CG1 3.25Å; I126-I130 WeakPolarHBondContact O-CG1 3.38Å; I126-I130 PolarHBondContact O-N 3.03Å; I126-L134 HydrophobicContact CB-CD1 4.45Å; I126-L134 HydrophobicContact CG2-CD1 4.32Å; I126-L134 HydrophobicContact CG2-CD2 4.16Å; I126-E696 HydrophobicContact CG2-CB 4.36Å; I126-E696 HydrophobicContact CG2-CG 4.2Å; I126-C699 HydrophobicContact CD1-CB 4.4Å; I126-C699 HydrophobicContact CG1-CB 3.9Å; I126-C699 HydrophobicContact CG2-CB 4.06Å; I126-R700 HydrophobicContact CD1-CG 3.48Å; I126-R700 VanDerWaalsContact CD1-CG 3.48Å; I126-M706 HydrophobicContact CG1-CE 3.66Å; I126-M706 HydrophobicContact CG1-SD 4.09Å
127	G	89.1	Confident	81.8	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-59	-43.6	-179.7	0	0	0	0	0	112.9	D123 S124 I130 G131 K132	D123-G127 PolarHBondContact O-N 3.11Å; S124-G127 PolarHBondContact O-N 2.99Å; S124-G127 VanDerWaalsContact O-N 3.11Å; G127-I130 PolarHBondContact O-N 3.47Å; G127-G131 PolarHBondContact O-N 3.39Å; G127-K132 VanDerWaalsContact CA-O 3.28Å; G127-K132 WeakPolarHBondContact CA-O 3.41Å; G127-K132 PolarHBondContact O-N 3.49Å; G127-K132 VanDerWaalsContact O-N 3.15Å
128	V	87.8	Confident	82.9	Confident	41 Å²	41	37 Å²	37	25%	0.248	20%	0.196	C	C	.	.	H	α-helix	trans	-61.4	-46.3	175.4	174.7	0	0	0	0	111.1	V88 E90 S124 I126 I130 G131	V88-V128 HydrophobicContact CG1-CG2 4.14Å; E90-V128 HydrophobicContact CB-CG2 4.13Å; E90-V128 HydrophobicContact CG-CG2 3.81Å; S124-V128 WeakPolarHBondContact O-CG2 3.07Å; S124-V128 PolarHBondContact O-N 2.83Å; I126-V128 VanDerWaalsContact C-N 3.34Å; I126-V128 PolarHBondContact O-N 2.82Å; V128-I130 PolarHBondContact O-N 3.14Å; V128-G131 PolarHBondContact O-N 2.98Å
129	L	92.4	Very high	84.2	Confident	4 Å²	4	37.2 Å²	37.2	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-65.1	-39.9	-177.9	-173.3	62.8	0	0	0	112.4	K125 I126 G131 F675 M706 L709 V713	K125-L129 WeakPolarHBondContact O-CB 3.4Å; K125-L129 PolarHBondContact O-N 3.2Å; K125-L129 VanDerWaalsContact O-N 3.08Å; I126-L129 PolarHBondContact O-N 2.69Å; L129-G131 VanDerWaalsContact C-N 3.33Å; L129-F675 HydrophobicContact CD1-CE2 4.49Å; L129-F675 HydrophobicContact CD1-CZ 3.99Å; L129-F675 HydrophobicContact CD2-CE2 4.09Å; L129-F675 HydrophobicContact CD2-CZ 4.39Å; L129-F675 HydrophobicContact CG-CE2 3.86Å; L129-F675 HydrophobicContact CG-CZ 3.82Å; L129-M706 HydrophobicContact CD2-CB 4.24Å; L129-M706 HydrophobicContact CD2-CE 4.31Å; L129-M706 HydrophobicContact CD2-CG 4.1Å; L129-L709 HydrophobicContact CD1-CB 4.01Å; L129-L709 HydrophobicContact CD2-CB 4.1Å; L129-L709 HydrophobicContact CD2-CD1 4.5Å; L129-V713 HydrophobicContact CD1-CB 4.45Å; L129-V713 HydrophobicContact CD1-CG2 3.92Å
130	I	92.8	Very high	85.5	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-72	-30.7	176.4	-63.1	175.8	0	0	0	110.9	I126 G127 V128 K132 R679 V682 L695 E696	I126-I130 HydrophobicContact CG2-CD1 3.48Å; I126-I130 VanDerWaalsContact CG2-CD1 3.48Å; I126-I130 HydrophobicContact CG2-CG1 4.22Å; I126-I130 VanDerWaalsContact O-CG1 3.25Å; I126-I130 WeakPolarHBondContact O-CG1 3.38Å; I126-I130 PolarHBondContact O-N 3.03Å; G127-I130 PolarHBondContact O-N 3.47Å; V128-I130 PolarHBondContact O-N 3.14Å; I130-K132 HydrophobicContact CG2-CB 3.95Å; I130-R679 VanDerWaalsContact O-CD 3.25Å; I130-R679 WeakPolarHBondContact O-CD 3.5Å; I130-R679 PolarHBondContact O-NE 3.31Å; I130-R679 VanDerWaalsContact O-NE 3.09Å; I130-V682 HydrophobicContact CG2-CG2 4.38Å; I130-L695 HydrophobicContact CD1-CB 3.75Å; I130-L695 HydrophobicContact CG1-CB 3.83Å; I130-L695 HydrophobicContact CG2-CB 4.41Å; I130-L695 HydrophobicContact CG2-CD1 4Å; I130-E696 HydrophobicContact CD1-CB 4.11Å
131	G	86.7	Confident	86.7	Confident	23 Å²	23	43.4 Å²	43.4	24%	0.237	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	28.3	-169.7	0	0	0	0	0	112.7	G127 V128 L129	G127-G131 PolarHBondContact O-N 3.39Å; V128-G131 PolarHBondContact O-N 2.98Å; L129-G131 VanDerWaalsContact C-N 3.33Å
132	K	86.6	Confident	87.6	Confident	31 Å²	31	44.1 Å²	44.1	14%	0.135	23%	0.231	C	C	.	.	S	Bend	trans	-148.7	132.4	177.4	-168.1	175	-178.7	67.6	0	109.8	G127 I130 E136 F137	G127-K132 VanDerWaalsContact CA-O 3.28Å; G127-K132 WeakPolarHBondContact CA-O 3.41Å; G127-K132 PolarHBondContact O-N 3.49Å; G127-K132 VanDerWaalsContact O-N 3.15Å; I130-K132 HydrophobicContact CG2-CB 3.95Å; K132-E136 WeakPolarHBondContact CE-OE2 3.37Å; K132-E136 WeakPolarHBondContact CG-OE1 3.34Å; K132-E136 IonicContact NZ-OE2 2.93Å; K132-E136 PolarHBondContact NZ-OE2 3.41Å; K132-F137 HydrophobicContact CD-CE1 3.74Å; K132-F137 HydrophobicContact CD-CZ 3.8Å; K132-F137 HydrophobicContact CG-CZ 4.34Å
133	G	83.7	Confident	88.2	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.251	C	S	.	.			trans	-71.8	132.1	-178.1	0	0	0	0	0	111.8	H135 E136	G133-H135 PolarHBondContact O-N 3.19Å; G133-E136 PolarHBondContact N-OE1 2.91Å; G133-E136 VanDerWaalsContact O-CB 3.25Å; G133-E136 WeakPolarHBondContact O-CB 3.37Å; G133-E136 WeakPolarHBondContact O-CG 3.24Å; G133-E136 PolarHBondContact O-N 3.43Å
134	L	88.4	Confident	88.8	Confident	12 Å²	12	45.6 Å²	45.6	6%	0.063	24%	0.243	C	C	.	.	H	α-helix	trans	-61.8	-29.1	177.9	-61.5	-168	0	0	0	112.6	D123 I126 E136 F137 E696	D123-L134 HydrophobicContact CB-CD1 3.79Å; I126-L134 HydrophobicContact CB-CD1 4.45Å; I126-L134 HydrophobicContact CG2-CD1 4.32Å; I126-L134 HydrophobicContact CG2-CD2 4.16Å; L134-E136 PolarHBondContact O-N 2.7Å; L134-F137 HydrophobicContact CD2-CD2 4.03Å; L134-F137 HydrophobicContact CD2-CE2 3.7Å; L134-F137 WeakPolarHBondContact O-CB 3.23Å; L134-F137 PolarHBondContact O-N 3.24Å; L134-F137 VanDerWaalsContact O-N 3.09Å; L134-E696 HydrophobicContact CD1-CG 4.32Å; L134-E696 HydrophobicContact CD2-CB 4.23Å; L134-E696 HydrophobicContact CD2-CG 3.97Å
135	H	85.3	Confident	89.4	Confident	92 Å²	92	45.3 Å²	45.3	43%	0.426	24%	0.24	S	C	.	.	H	α-helix	trans	-62.2	-24.1	174.7	70.7	-88.8	0	0	0	113.2	A87 G133 F137 D138 S139	A87-H135 PolarHBondContact O-CE1 2.85Å; G133-H135 PolarHBondContact O-N 3.19Å; H135-F137 VanDerWaalsContact C-N 3.28Å; H135-F137 PolarHBondContact O-N 2.72Å; H135-D138 PolarHBondContact O-N 3.17Å; H135-S139 WeakPolarHBondContact O-CB 3.46Å; H135-S139 PolarHBondContact O-N 2.96Å; H135-S139 PolarHBondContact O-OG 2.97Å
136	E	87.7	Confident	89.7	Confident	60 Å²	60	43.1 Å²	43.1	28%	0.28	23%	0.233	S	C	.	.	H	α-helix	trans	-64.9	-36.4	175.1	-63.3	177.7	-122.2	0	0	110.4	K132 G133 L134 S139 L140	K132-E136 WeakPolarHBondContact CE-OE2 3.37Å; K132-E136 WeakPolarHBondContact CG-OE1 3.34Å; K132-E136 IonicContact NZ-OE2 2.93Å; K132-E136 PolarHBondContact NZ-OE2 3.41Å; G133-E136 PolarHBondContact N-OE1 2.91Å; G133-E136 VanDerWaalsContact O-CB 3.25Å; G133-E136 WeakPolarHBondContact O-CB 3.37Å; G133-E136 WeakPolarHBondContact O-CG 3.24Å; G133-E136 PolarHBondContact O-N 3.43Å; L134-E136 PolarHBondContact O-N 2.7Å; E136-S139 PolarHBondContact O-N 3.46Å; E136-L140 WeakPolarHBondContact O-CG 3.19Å; E136-L140 PolarHBondContact O-N 2.71Å
137	F	90.4	Very high	89.9	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-68.7	-40.6	176.3	-53.7	-47.7	0	0	0	111.8	K132 L134 H135 S139 L140 V145 V689 V693	K132-F137 HydrophobicContact CD-CE1 3.74Å; K132-F137 HydrophobicContact CD-CZ 3.8Å; K132-F137 HydrophobicContact CG-CZ 4.34Å; L134-F137 HydrophobicContact CD2-CD2 4.03Å; L134-F137 HydrophobicContact CD2-CE2 3.7Å; L134-F137 WeakPolarHBondContact O-CB 3.23Å; L134-F137 PolarHBondContact O-N 3.24Å; L134-F137 VanDerWaalsContact O-N 3.09Å; H135-F137 VanDerWaalsContact C-N 3.28Å; H135-F137 PolarHBondContact O-N 2.72Å; F137-S139 VanDerWaalsContact C-N 3.28Å; F137-S139 PolarHBondContact O-N 3.44Å; F137-L140 WeakPolarHBondContact O-CB 3.47Å; F137-L140 PolarHBondContact O-N 2.78Å; F137-V145 HydrophobicContact CB-CG1 4.1Å; F137-V689 HydrophobicContact CD1-CG1 4.32Å; F137-V693 HydrophobicContact CD1-CG1 3.98Å; F137-V693 HydrophobicContact CD2-CG1 4.19Å; F137-V693 HydrophobicContact CE1-CG1 4.09Å; F137-V693 HydrophobicContact CE2-CG1 4.28Å; F137-V693 HydrophobicContact CG-CG1 4.05Å; F137-V693 HydrophobicContact CZ-CG1 4.25Å
138	D	86.6	Confident	90.2	Very high	84 Å²	84	45.6 Å²	45.6	45%	0.449	24%	0.244	S	C	.	.	H	α-helix	trans	-65	-35.3	176.3	-63.9	-56.2	0	0	0	111.6	H135 L140 K141 R149	H135-D138 PolarHBondContact O-N 3.17Å; D138-L140 VanDerWaalsContact C-N 3.28Å; D138-L140 PolarHBondContact O-N 3.35Å; D138-K141 PolarHBondContact O-N 3.25Å; D138-R149 IonicContact OD1-NH1 2.68Å; D138-R149 PolarHBondContact OD1-NH1 3.31Å; D138-R149 IonicContact OD2-NH1 3.41Å; D138-R149 PolarHBondContact OD2-NH1 3.32Å
139	S	88.6	Confident	90.5	Very high	84 Å²	84	44.3 Å²	44.3	59%	0.587	24%	0.235	S	C	*	.	H	α-helix	trans	-67.8	-23.7	179.8	-61.4	0	0	0	0	113.8	H135 E136 F137 K141	H135-S139 WeakPolarHBondContact O-CB 3.46Å; H135-S139 PolarHBondContact O-N 2.96Å; H135-S139 PolarHBondContact O-OG 2.97Å; E136-S139 PolarHBondContact O-N 3.46Å; F137-S139 VanDerWaalsContact C-N 3.28Å; F137-S139 PolarHBondContact O-N 3.44Å; S139-K141 PolarHBondContact O-N 3.32Å
140	L	88.6	Confident	90.5	Very high	89 Å²	89	51.2 Å²	51.2	47%	0.466	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-27.3	175.2	-64.6	173.1	0	0	0	112.3	E136 F137 D138 D142 V145 V689	E136-L140 WeakPolarHBondContact O-CG 3.19Å; E136-L140 PolarHBondContact O-N 2.71Å; F137-L140 WeakPolarHBondContact O-CB 3.47Å; F137-L140 PolarHBondContact O-N 2.78Å; D138-L140 VanDerWaalsContact C-N 3.28Å; D138-L140 PolarHBondContact O-N 3.35Å; L140-D142 HydrophobicContact CB-CB 4.23Å; L140-D142 PolarHBondContact O-N 2.61Å; L140-V145 HydrophobicContact CD1-CG2 4.24Å; L140-V689 HydrophobicContact CD1-CG1 3.83Å; L140-V689 HydrophobicContact CD1-CG2 3.8Å
141	K	89.3	Confident	90.5	Very high	176 Å²	176	55.1 Å²	55.1	77%	0.765	28%	0.278	S	S	*	.			trans	52.3	24	-173.6	-59.4	178.3	-177.5	176.5	0	113.4	D138 S139	D138-K141 PolarHBondContact O-N 3.25Å; S139-K141 PolarHBondContact O-N 3.32Å
142	D	91.7	Very high	90.9	Very high	55 Å²	55	54.3 Å²	54.3	29%	0.294	27%	0.268	S	S	.	.			trans	-80	123.4	179.7	-170.6	-48.6	0	0	0	109.7	L140 E144 V145 N146	L140-D142 HydrophobicContact CB-CB 4.23Å; L140-D142 PolarHBondContact O-N 2.61Å; D142-E144 VanDerWaalsContact C-N 3.3Å; D142-E144 PolarHBondContact O-N 2.82Å; D142-E144 WeakPolarHBondContact OD1-CA 3.13Å; D142-E144 VanDerWaalsContact OD1-CB 3.28Å; D142-E144 WeakPolarHBondContact OD1-CB 3.43Å; D142-E144 PolarHBondContact OD1-N 3.16Å; D142-V145 HydrophobicContact CB-CB 4.06Å; D142-V145 HydrophobicContact CB-CG2 3.8Å; D142-V145 PolarHBondContact O-N 3.28Å; D142-V145 PolarHBondContact OD1-N 2.69Å; D142-N146 PolarHBondContact O-N 3.06Å; D142-N146 VanDerWaalsContact O-N 3.16Å; D142-N146 PolarHBondContact O-ND2 2.79Å
143	P	93.3	Very high	91	Very high	84 Å²	84	56.6 Å²	56.6	55%	0.545	28%	0.276	S	S	.	.	H	α-helix	trans	-65.1	-30.4	-179.4	27.1	-34.9	0	0	0	113.5	E147 F448	P143-E147 VanDerWaalsContact O-CB 3.22Å; P143-E147 WeakPolarHBondContact O-CB 3.45Å; P143-E147 PolarHBondContact O-N 2.85Å; P143-F448 HydrophobicContact CB-CE1 4.33Å; P143-F448 HydrophobicContact CB-CZ 4.37Å; P143-F448 HydrophobicContact CG-CE1 4.24Å
144	E	95.6	Very high	91.3	Very high	15 Å²	15	62.7 Å²	62.7	7%	0.07	30%	0.302	C	S	.	.	H	α-helix	trans	-68.8	-48.6	177.5	-174.5	-178.9	174.5	0	0	110.5	D142 N146 E147 F148 F448 F651 L652	D142-E144 VanDerWaalsContact C-N 3.3Å; D142-E144 PolarHBondContact O-N 2.82Å; D142-E144 WeakPolarHBondContact OD1-CA 3.13Å; D142-E144 VanDerWaalsContact OD1-CB 3.28Å; D142-E144 WeakPolarHBondContact OD1-CB 3.43Å; D142-E144 PolarHBondContact OD1-N 3.16Å; E144-N146 VanDerWaalsContact C-N 3.34Å; E144-N146 PolarHBondContact O-N 3.46Å; E144-E147 PolarHBondContact O-N 3.32Å; E144-F148 WeakPolarHBondContact O-CB 3.26Å; E144-F148 PolarHBondContact O-N 2.91Å; E144-F448 HydrophobicContact CB-CB 4.41Å; E144-F448 HydrophobicContact CB-CD1 3.72Å; E144-F448 HydrophobicContact CB-CD2 4.42Å; E144-F448 HydrophobicContact CB-CE1 3.99Å; E144-F448 HydrophobicContact CB-CG 3.95Å; E144-F448 HydrophobicContact CB-CZ 4.42Å; E144-F448 HydrophobicContact CG-CB 3.8Å; E144-F448 HydrophobicContact CG-CD1 4.05Å; E144-F448 HydrophobicContact CG-CD2 4.15Å; E144-F448 HydrophobicContact CG-CG 3.76Å; E144-F651 WeakPolarHBondContact OE1-CA 3.42Å; E144-F651 WeakPolarHBondContact OE1-CB 3.34Å; E144-L652 HydrophobicContact CG-CD1 4.19Å; E144-L652 HydrophobicContact CG-CG 4.35Å; E144-L652 PolarHBondContact OE1-N 3.43Å
145	V	95.4	Very high	91.3	Very high	6 Å²	6	64.3 Å²	64.3	4%	0.036	31%	0.309	C	S	.	.	H	α-helix	trans	-56.6	-49.7	177.7	174.2	0	0	0	0	110.5	F137 L140 D142 E147 F148 R149 L652 V689 V693	F137-V145 HydrophobicContact CB-CG1 4.1Å; L140-V145 HydrophobicContact CD1-CG2 4.24Å; D142-V145 HydrophobicContact CB-CB 4.06Å; D142-V145 HydrophobicContact CB-CG2 3.8Å; D142-V145 PolarHBondContact O-N 3.28Å; D142-V145 PolarHBondContact OD1-N 2.69Å; V145-E147 PolarHBondContact O-N 2.79Å; V145-F148 PolarHBondContact O-N 3.19Å; V145-R149 HydrophobicContact CG1-CG 4.41Å; V145-R149 WeakPolarHBondContact O-CB 3.27Å; V145-R149 VanDerWaalsContact O-CG 3.26Å; V145-R149 WeakPolarHBondContact O-CG 3.24Å; V145-R149 PolarHBondContact O-N 2.97Å; V145-L652 HydrophobicContact CB-CD1 4.37Å; V145-L652 HydrophobicContact CG2-CD1 3.87Å; V145-V689 HydrophobicContact CG2-CG1 3.97Å; V145-V693 HydrophobicContact CG1-CG1 4.21Å
146	N	92.6	Very high	91.5	Very high	48 Å²	48	60 Å²	60	26%	0.257	29%	0.289	S	S	.	.	H	α-helix	trans	-65.7	-39.2	-178.1	-71.3	-37.6	0	0	0	112.9	D142 E144 R150	D142-N146 PolarHBondContact O-N 3.06Å; D142-N146 VanDerWaalsContact O-N 3.16Å; D142-N146 PolarHBondContact O-ND2 2.79Å; E144-N146 VanDerWaalsContact C-N 3.34Å; E144-N146 PolarHBondContact O-N 3.46Å; N146-R150 WeakPolarHBondContact O-CB 3.11Å; N146-R150 PolarHBondContact O-N 2.93Å; N146-R150 VanDerWaalsContact O-N 3.09Å
147	E	94.4	Very high	91.3	Very high	52 Å²	52	60.2 Å²	60.2	24%	0.243	29%	0.29	C	S	.	.	H	α-helix	trans	-68	-44.5	176.7	-172	68.5	-167.4	0	0	111.3	P143 E144 V145 R150 K151 F448	P143-E147 VanDerWaalsContact O-CB 3.22Å; P143-E147 WeakPolarHBondContact O-CB 3.45Å; P143-E147 PolarHBondContact O-N 2.85Å; E144-E147 PolarHBondContact O-N 3.32Å; V145-E147 PolarHBondContact O-N 2.79Å; E147-R150 PolarHBondContact O-N 3.23Å; E147-R150 IonicContact OE2-CZ 2.77Å; E147-R150 IonicContact OE2-NH1 3.95Å; E147-R150 PolarHBondContact OE2-NH1 3.47Å; E147-K151 WeakPolarHBondContact O-CG 3.25Å; E147-K151 PolarHBondContact O-N 3.25Å; E147-F448 HydrophobicContact CB-CE2 4.27Å; E147-F448 HydrophobicContact CG-CE2 4.29Å
148	F	95.9	Very high	91	Very high	2 Å²	2	65 Å²	65	1%	0.009	31%	0.312	C	S	.	.	H	α-helix	trans	-59.6	-50.6	176	178.2	-97.4	0	0	0	111.3	E144 V145 R150 K151 M152 L652 D653 V693 I694	E144-F148 WeakPolarHBondContact O-CB 3.26Å; E144-F148 PolarHBondContact O-N 2.91Å; V145-F148 PolarHBondContact O-N 3.19Å; F148-R150 VanDerWaalsContact C-N 3.3Å; F148-R150 PolarHBondContact O-N 2.78Å; F148-K151 PolarHBondContact O-N 2.82Å; F148-M152 HydrophobicContact CD1-CG 4.13Å; F148-M152 HydrophobicContact CD2-CG 3.86Å; F148-M152 HydrophobicContact CE1-CB 4.46Å; F148-M152 HydrophobicContact CE1-CG 3.72Å; F148-M152 HydrophobicContact CE2-CE 4.48Å; F148-M152 HydrophobicContact CE2-CG 3.45Å; F148-M152 VanDerWaalsContact CE2-CG 3.45Å; F148-M152 HydrophobicContact CE2-SD 4.04Å; F148-M152 HydrophobicContact CG-CG 4.21Å; F148-M152 HydrophobicContact CZ-CG 3.39Å; F148-M152 HydrophobicContact CZ-SD 4.24Å; F148-M152 WeakPolarHBondContact O-CB 3.47Å; F148-M152 WeakPolarHBondContact O-CG 3.32Å; F148-M152 PolarHBondContact O-N 3.08Å; F148-L652 HydrophobicContact CB-CB 4Å; F148-L652 HydrophobicContact CB-CD1 4.12Å; F148-L652 HydrophobicContact CD1-CB 4.21Å; F148-L652 HydrophobicContact CD1-CD1 4.48Å; F148-L652 HydrophobicContact CD2-CB 3.69Å; F148-L652 HydrophobicContact CE2-CB 4.18Å; F148-L652 WeakPolarHBondContact CE2-O 3.48Å; F148-L652 HydrophobicContact CG-CB 3.69Å; F148-L652 HydrophobicContact CG-CD1 4.34Å; F148-D653 HydrophobicContact CD2-CB 3.84Å; F148-D653 HydrophobicContact CE2-CB 4.47Å; F148-V693 HydrophobicContact CD1-CB 3.91Å; F148-V693 HydrophobicContact CD1-CG2 3.56Å; F148-V693 HydrophobicContact CE1-CB 3.87Å; F148-V693 HydrophobicContact CE1-CG2 3.42Å; F148-V693 VanDerWaalsContact CE1-CG2 3.42Å; F148-V693 HydrophobicContact CZ-CG2 4.48Å; F148-I694 HydrophobicContact CE1-CG1 4.35Å; F148-I694 HydrophobicContact CZ-CG1 4.06Å
149	R	94.4	Very high	90.9	Very high	13 Å²	13	64.2 Å²	64.2	5%	0.049	31%	0.305	C	S	.	.	H	α-helix	trans	-56.2	-43.4	177.2	-72.3	179.8	75.9	-156.3	2	111.6	D138 V145 R153 V693 E696	D138-R149 IonicContact OD1-NH1 2.68Å; D138-R149 PolarHBondContact OD1-NH1 3.31Å; D138-R149 IonicContact OD2-NH1 3.41Å; D138-R149 PolarHBondContact OD2-NH1 3.32Å; V145-R149 HydrophobicContact CG1-CG 4.41Å; V145-R149 WeakPolarHBondContact O-CB 3.27Å; V145-R149 VanDerWaalsContact O-CG 3.26Å; V145-R149 WeakPolarHBondContact O-CG 3.24Å; V145-R149 PolarHBondContact O-N 2.97Å; R149-R153 WeakPolarHBondContact O-CB 3.07Å; R149-R153 PolarHBondContact O-N 3.09Å; R149-V693 HydrophobicContact CG-CB 4.28Å; R149-V693 HydrophobicContact CG-CG1 3.89Å; R149-E696 IonicContact CZ-OE1 3.09Å; R149-E696 IonicContact CZ-OE2 3.05Å; R149-E696 IonicContact NE-OE1 3.45Å; R149-E696 IonicContact NE-OE2 3.44Å; R149-E696 PolarHBondContact NE-OE2 3.32Å; R149-E696 IonicContact NH2-OE1 3.31Å; R149-E696 PolarHBondContact NH2-OE1 3.34Å; R149-E696 IonicContact NH2-OE2 3.84Å; R149-E696 PolarHBondContact NH2-OE2 3.39Å; R149-E696 VanDerWaalsContact NH2-OE2 3.12Å
150	R	92.3	Very high	90.6	Very high	150 Å²	150	60.8 Å²	60.8	57%	0.566	28%	0.28	S	S	*	.	H	α-helix	trans	-65.1	-47.3	177.8	-167.4	-170.1	-54.8	128.1	9.4	112.2	N146 E147 F148 K154	N146-R150 WeakPolarHBondContact O-CB 3.11Å; N146-R150 PolarHBondContact O-N 2.93Å; N146-R150 VanDerWaalsContact O-N 3.09Å; E147-R150 PolarHBondContact O-N 3.23Å; E147-R150 IonicContact OE2-CZ 2.77Å; E147-R150 IonicContact OE2-NH1 3.95Å; E147-R150 PolarHBondContact OE2-NH1 3.47Å; F148-R150 VanDerWaalsContact C-N 3.3Å; F148-R150 PolarHBondContact O-N 2.78Å; R150-K154 PolarHBondContact O-N 2.9Å; R150-K154 VanDerWaalsContact O-N 3.13Å
151	K	93.8	Very high	90.2	Very high	82 Å²	82	61.2 Å²	61.2	36%	0.357	28%	0.282	S	S	.	.	H	α-helix	trans	-63.8	-48	179.6	-76	-175.8	-175.9	179.2	0	111.8	E147 F148 R153 K154 F155 D653	E147-K151 WeakPolarHBondContact O-CG 3.25Å; E147-K151 PolarHBondContact O-N 3.25Å; F148-K151 PolarHBondContact O-N 2.82Å; K151-R153 VanDerWaalsContact C-N 3.35Å; K151-K154 PolarHBondContact O-N 3.27Å; K151-F155 PolarHBondContact O-N 2.77Å; K151-D653 VanDerWaalsContact CD-OD2 3.24Å; K151-D653 WeakPolarHBondContact CD-OD2 3.47Å; K151-D653 IonicContact NZ-OD2 3.51Å; K151-D653 PolarHBondContact NZ-OD2 3.42Å
152	M	93.4	Very high	89.8	Confident	5 Å²	5	55.8 Å²	55.8	3%	0.025	27%	0.266	C	S	.	.	H	α-helix	trans	-69.7	-33.6	-179.1	-68.1	-55.5	103.5	0	0	112	F148 F155 S156 R658 L661 A697	F148-M152 HydrophobicContact CD1-CG 4.13Å; F148-M152 HydrophobicContact CD2-CG 3.86Å; F148-M152 HydrophobicContact CE1-CB 4.46Å; F148-M152 HydrophobicContact CE1-CG 3.72Å; F148-M152 HydrophobicContact CE2-CE 4.48Å; F148-M152 HydrophobicContact CE2-CG 3.45Å; F148-M152 VanDerWaalsContact CE2-CG 3.45Å; F148-M152 HydrophobicContact CE2-SD 4.04Å; F148-M152 HydrophobicContact CG-CG 4.21Å; F148-M152 HydrophobicContact CZ-CG 3.39Å; F148-M152 HydrophobicContact CZ-SD 4.24Å; F148-M152 WeakPolarHBondContact O-CB 3.47Å; F148-M152 WeakPolarHBondContact O-CG 3.32Å; F148-M152 PolarHBondContact O-N 3.08Å; M152-F155 PolarHBondContact O-N 3.33Å; M152-S156 WeakPolarHBondContact O-CB 3.48Å; M152-S156 PolarHBondContact O-N 2.91Å; M152-S156 PolarHBondContact O-OG 2.86Å; M152-S156 VanDerWaalsContact O-OG 3.06Å; M152-R658 HydrophobicContact CE-CG 4.14Å; M152-R658 HydrophobicContact SD-CG 4.5Å; M152-L661 HydrophobicContact CG-CD1 4.37Å; M152-L661 HydrophobicContact SD-CD1 3.83Å; M152-A697 HydrophobicContact CB-CB 3.71Å; M152-A697 HydrophobicContact CG-CB 4.41Å
153	R	89.7	Confident	89	Confident	79 Å²	79	54.3 Å²	54.3	30%	0.298	26%	0.258	S	S	.	.	H	α-helix	trans	-57.4	-49.8	169.8	179.4	-179	-56	167.9	1.3	111.4	R149 K151 F155 S156 E157 E696	R149-R153 WeakPolarHBondContact O-CB 3.07Å; R149-R153 PolarHBondContact O-N 3.09Å; K151-R153 VanDerWaalsContact C-N 3.35Å; R153-F155 VanDerWaalsContact C-N 3.35Å; R153-F155 PolarHBondContact O-N 2.94Å; R153-S156 PolarHBondContact O-N 2.91Å; R153-E157 HydrophobicContact CG-CG 4.45Å; R153-E157 WeakPolarHBondContact CG-OE1 3.37Å; R153-E157 WeakPolarHBondContact O-CB 3.36Å; R153-E157 VanDerWaalsContact O-CG 3.27Å; R153-E157 WeakPolarHBondContact O-CG 3.46Å; R153-E157 PolarHBondContact O-N 2.86Å; R153-E696 IonicContact NH2-OE1 3.16Å
154	K	89.1	Confident	88.2	Confident	128 Å²	128	52.7 Å²	52.7	56%	0.557	25%	0.246	S	C	*	.	H	α-helix	trans	-59	-45.9	176.7	-177.4	179.1	171.7	-177.7	0	111.6	R150 K151 E157 E158	R150-K154 PolarHBondContact O-N 2.9Å; R150-K154 VanDerWaalsContact O-N 3.13Å; K151-K154 PolarHBondContact O-N 3.27Å; K154-E157 PolarHBondContact O-N 3.34Å; K154-E158 WeakPolarHBondContact CE-OE1 3.37Å; K154-E158 IonicContact NZ-OE1 2.9Å; K154-E158 WeakPolarHBondContact O-CB 3.27Å; K154-E158 VanDerWaalsContact O-CG 3.32Å; K154-E158 WeakPolarHBondContact O-CG 3.47Å; K154-E158 PolarHBondContact O-N 3.44Å
155	F	89.6	Confident	87.2	Confident	47 Å²	47	55.5 Å²	55.5	21%	0.206	28%	0.28	C	S	.	.	H	α-helix	trans	-60.2	-45.9	176.9	175.4	-99.9	0	0	0	112.6	K151 M152 R153 E158 K159 L661 E662 L665	K151-F155 PolarHBondContact O-N 2.77Å; M152-F155 PolarHBondContact O-N 3.33Å; R153-F155 VanDerWaalsContact C-N 3.35Å; R153-F155 PolarHBondContact O-N 2.94Å; F155-E158 PolarHBondContact O-N 3.42Å; F155-K159 HydrophobicContact CE1-CG 4.27Å; F155-K159 HydrophobicContact CZ-CG 4.22Å; F155-K159 WeakPolarHBondContact O-CG 3.37Å; F155-K159 PolarHBondContact O-N 3.33Å; F155-L661 HydrophobicContact CE1-CB 4.36Å; F155-E662 HydrophobicContact CZ-CB 3.92Å; F155-E662 HydrophobicContact CZ-CG 4.25Å; F155-L665 HydrophobicContact CD1-CD1 4.39Å; F155-L665 HydrophobicContact CE1-CD1 4Å
156	S	89.1	Confident	86.4	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.7	-42	176.8	-66	0	0	0	0	111.7	M152 R153 K159 I160 A697	M152-S156 WeakPolarHBondContact O-CB 3.48Å; M152-S156 PolarHBondContact O-N 2.91Å; M152-S156 PolarHBondContact O-OG 2.86Å; M152-S156 VanDerWaalsContact O-OG 3.06Å; R153-S156 PolarHBondContact O-N 2.91Å; S156-K159 PolarHBondContact O-N 2.94Å; S156-I160 WeakPolarHBondContact O-CG1 3.44Å; S156-I160 PolarHBondContact O-N 2.91Å; S156-A697 PolarHBondContact OG-O 3.21Å
157	E	82.6	Confident	86.2	Confident	66 Å²	66	57.4 Å²	57.4	31%	0.308	29%	0.294	S	S	.	.	H	α-helix	trans	-64.1	-41.5	176.2	-73.9	166.6	-176.5	0	0	111.9	R153 K154 K159 I160 L161 R306	R153-E157 HydrophobicContact CG-CG 4.45Å; R153-E157 WeakPolarHBondContact CG-OE1 3.37Å; R153-E157 WeakPolarHBondContact O-CB 3.36Å; R153-E157 VanDerWaalsContact O-CG 3.27Å; R153-E157 WeakPolarHBondContact O-CG 3.46Å; R153-E157 PolarHBondContact O-N 2.86Å; K154-E157 PolarHBondContact O-N 3.34Å; E157-K159 VanDerWaalsContact C-N 3.32Å; E157-K159 PolarHBondContact O-N 3.12Å; E157-I160 PolarHBondContact O-N 2.82Å; E157-L161 WeakPolarHBondContact O-CB 3.45Å; E157-L161 VanDerWaalsContact O-CG 3.31Å; E157-L161 WeakPolarHBondContact O-CG 3.37Å; E157-L161 PolarHBondContact O-N 3.4Å; E157-R306 IonicContact OE1-CZ 2.96Å; E157-R306 IonicContact OE1-NH1 2.67Å; E157-R306 PolarHBondContact OE1-NH1 2.91Å
158	E	85.8	Confident	85.8	Confident	101 Å²	101	57.2 Å²	57.2	47%	0.472	29%	0.291	S	S	.	.	H	α-helix	trans	-60.6	-40.4	173	-74.9	171.3	178.7	0	0	111.9	K154 F155 L161 S162	K154-E158 WeakPolarHBondContact CE-OE1 3.37Å; K154-E158 IonicContact NZ-OE1 2.9Å; K154-E158 WeakPolarHBondContact O-CB 3.27Å; K154-E158 VanDerWaalsContact O-CG 3.32Å; K154-E158 WeakPolarHBondContact O-CG 3.47Å; K154-E158 PolarHBondContact O-N 3.44Å; F155-E158 PolarHBondContact O-N 3.42Å; E158-L161 PolarHBondContact O-N 3.49Å; E158-S162 PolarHBondContact O-N 3.48Å
159	K	84.3	Confident	85.4	Confident	67 Å²	67	59.8 Å²	59.8	29%	0.291	30%	0.303	S	S	.	.	H	α-helix	trans	-65.5	-44.2	174.7	-74.7	-64.8	-172.9	177.8	0	112.2	F155 S156 E157 L161 S162 L163 L665	F155-K159 HydrophobicContact CE1-CG 4.27Å; F155-K159 HydrophobicContact CZ-CG 4.22Å; F155-K159 WeakPolarHBondContact O-CG 3.37Å; F155-K159 PolarHBondContact O-N 3.33Å; S156-K159 PolarHBondContact O-N 2.94Å; E157-K159 VanDerWaalsContact C-N 3.32Å; E157-K159 PolarHBondContact O-N 3.12Å; K159-L161 VanDerWaalsContact C-N 3.34Å; K159-L161 PolarHBondContact O-N 3.34Å; K159-S162 WeakPolarHBondContact O-CB 3.47Å; K159-S162 PolarHBondContact O-N 2.89Å; K159-S162 VanDerWaalsContact O-N 3.14Å; K159-S162 PolarHBondContact O-OG 3.41Å; K159-L163 PolarHBondContact O-N 3.23Å; K159-L665 HydrophobicContact CB-CD1 4.11Å; K159-L665 HydrophobicContact CG-CD1 4.02Å
160	I	80.7	Confident	85	Confident	11 Å²	11	61.8 Å²	61.8	6%	0.056	32%	0.315	C	S	.	.	H	α-helix	trans	-61	-44.5	175.6	-63.5	162.1	0	0	0	110.8	S156 E157 S162 L163 V164 I300 I304 R700 V703	S156-I160 WeakPolarHBondContact O-CG1 3.44Å; S156-I160 PolarHBondContact O-N 2.91Å; E157-I160 PolarHBondContact O-N 2.82Å; I160-S162 PolarHBondContact O-N 3.34Å; I160-L163 WeakPolarHBondContact O-CA 3.24Å; I160-L163 VanDerWaalsContact O-CB 3.25Å; I160-L163 WeakPolarHBondContact O-CB 3.49Å; I160-L163 PolarHBondContact O-N 2.9Å; I160-V164 PolarHBondContact O-N 3.28Å; I160-I300 HydrophobicContact CG2-CB 4.27Å; I160-I300 HydrophobicContact CG2-CG1 4.2Å; I160-I300 HydrophobicContact CG2-CG2 3.27Å; I160-I304 HydrophobicContact CG2-CD1 3.91Å; I160-I304 HydrophobicContact CG2-CG1 4.06Å; I160-R700 WeakPolarHBondContact CD1-O 3.39Å; I160-V703 HydrophobicContact CD1-CG2 4.44Å
161	L	80.9	Confident	84.9	Confident	98 Å²	98	54.9 Å²	54.9	51%	0.513	29%	0.289	S	S	.	.	H	α-helix	trans	-59.5	-36.2	176.4	-75.4	169.8	0	0	0	111.6	E157 E158 K159 L163 V164 I304	E157-L161 WeakPolarHBondContact O-CB 3.45Å; E157-L161 VanDerWaalsContact O-CG 3.31Å; E157-L161 WeakPolarHBondContact O-CG 3.37Å; E157-L161 PolarHBondContact O-N 3.4Å; E158-L161 PolarHBondContact O-N 3.49Å; K159-L161 VanDerWaalsContact C-N 3.34Å; K159-L161 PolarHBondContact O-N 3.34Å; L161-L163 PolarHBondContact O-N 3.06Å; L161-V164 PolarHBondContact O-N 3.39Å; L161-I304 HydrophobicContact CD2-CD1 3.99Å; L161-I304 HydrophobicContact CD2-CG1 4.4Å; L161-I304 HydrophobicContact CD2-CG2 3.83Å
162	S	81	Confident	84.7	Confident	62 Å²	62	51 Å²	51	43%	0.434	27%	0.272	S	S	.	.	H	α-helix	trans	-63.6	-27.7	174	80.9	0	0	0	0	113	E158 K159 I160 L166	E158-S162 PolarHBondContact O-N 3.48Å; K159-S162 WeakPolarHBondContact O-CB 3.47Å; K159-S162 PolarHBondContact O-N 2.89Å; K159-S162 VanDerWaalsContact O-N 3.14Å; K159-S162 PolarHBondContact O-OG 3.41Å; I160-S162 PolarHBondContact O-N 3.34Å; S162-L166 WeakPolarHBondContact O-CG 3.23Å
163	L	76.1	Confident	84.5	Confident	24 Å²	24	55.6 Å²	55.6	13%	0.126	29%	0.292	C	S	.	.	H	α-helix	trans	-71.6	-35.4	176.9	-60.4	174.5	0	0	0	112.9	K159 I160 L161 G165 L166 I300	K159-L163 PolarHBondContact O-N 3.23Å; I160-L163 WeakPolarHBondContact O-CA 3.24Å; I160-L163 VanDerWaalsContact O-CB 3.25Å; I160-L163 WeakPolarHBondContact O-CB 3.49Å; I160-L163 PolarHBondContact O-N 2.9Å; L161-L163 PolarHBondContact O-N 3.06Å; L163-G165 PolarHBondContact O-N 3.19Å; L163-L166 HydrophobicContact CD2-CD1 3.72Å; L163-L166 WeakPolarHBondContact O-CB 3.3Å; L163-L166 PolarHBondContact O-N 3.45Å; L163-L166 VanDerWaalsContact O-N 3.1Å; L163-I300 HydrophobicContact CD1-CD1 4.26Å
164	V	76.6	Confident	84.2	Confident	50 Å²	50	54.4 Å²	54.4	30%	0.303	29%	0.29	S	S	.	.	H	α-helix	trans	-63.6	-28.4	-177.7	-179.6	0	0	0	0	111.7	I160 L161 M297 I300 I304	I160-V164 PolarHBondContact O-N 3.28Å; L161-V164 PolarHBondContact O-N 3.39Å; V164-M297 HydrophobicContact CG2-SD 4.47Å; V164-I300 HydrophobicContact CG2-CG2 3.69Å; V164-I304 HydrophobicContact CG2-CD1 3.69Å
165	G	74	Confident	84.1	Confident	75 Å²	75	48.6 Å²	48.6	77%	0.773	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-3	176.7	0	0	0	0	0	115.5	L163	L163-G165 PolarHBondContact O-N 3.19Å
166	L	78.9	Confident	84.1	Confident	40 Å²	40	47.9 Å²	47.9	21%	0.209	26%	0.261	C	S	.	.	S	Bend	trans	-76.6	148.9	-176.3	-67.4	178.8	0	0	0	112.2	S162 L163 D170 Y293	S162-L166 WeakPolarHBondContact O-CG 3.23Å; L163-L166 HydrophobicContact CD2-CD1 3.72Å; L163-L166 WeakPolarHBondContact O-CB 3.3Å; L163-L166 PolarHBondContact O-N 3.45Å; L163-L166 VanDerWaalsContact O-N 3.1Å; L166-D170 HydrophobicContact CB-CB 4.27Å; L166-D170 HydrophobicContact CD2-CB 4.07Å; L166-Y293 PolarHBondContact O-OH 3.46Å; L166-Y293 VanDerWaalsContact O-OH 3.08Å
167	S	87.7	Confident	84	Confident	53 Å²	53	49 Å²	49	37%	0.371	27%	0.268	S	S	.	.			trans	-65.2	153	162.4	79.5	0	0	0	0	110.1	M169 D170 W171	S167-M169 PolarHBondContact O-N 2.67Å; S167-M169 VanDerWaalsContact O-N 3.12Å; S167-M169 PolarHBondContact OG-N 3.34Å; S167-D170 PolarHBondContact O-N 3.33Å; S167-D170 VanDerWaalsContact OG-CG 3.29Å; S167-D170 PolarHBondContact OG-N 3.49Å; S167-D170 VanDerWaalsContact OG-N 3.14Å; S167-D170 PolarHBondContact OG-OD2 3.25Å; S167-W171 PolarHBondContact O-N 3.04Å
168	W	86.9	Confident	84.2	Confident	49 Å²	49	46.5 Å²	46.5	19%	0.186	26%	0.258	C	S	.	.	H	α-helix	trans	-56.9	-28.3	174.7	70.7	-89.9	0	0	0	112.6	L172 C286 I289 K290 Y293	W168-L172 HydrophobicContact CZ3-CD2 4.46Å; W168-L172 WeakPolarHBondContact O-CB 3.4Å; W168-L172 PolarHBondContact O-N 3.26Å; W168-C286 HydrophobicContact CH2-CB 3.59Å; W168-C286 WeakPolarHBondContact CH2-SG 3.11Å; W168-C286 HydrophobicContact CZ2-CB 3.86Å; W168-C286 HydrophobicContact CZ3-CB 4.15Å; W168-I289 HydrophobicContact CE3-CB 4.41Å; W168-I289 HydrophobicContact CE3-CG2 3.86Å; W168-I289 HydrophobicContact CZ3-CB 4.45Å; W168-I289 HydrophobicContact CZ3-CG2 4.1Å; W168-K290 HydrophobicContact CB-CG 4.11Å; W168-K290 HydrophobicContact CD2-CG 4.08Å; W168-K290 HydrophobicContact CG-CG 3.78Å; W168-K290 VanDerWaalsContact NE1-CE 3.33Å; W168-Y293 HydrophobicContact CB-CD1 4.24Å; W168-Y293 HydrophobicContact CB-CG 4.27Å
169	M	86.6	Confident	84	Confident	55 Å²	55	43.4 Å²	43.4	27%	0.271	24%	0.244	S	C	.	.	H	α-helix	trans	-70.2	-41.9	174.7	-84.6	-66.2	-161.3	0	0	112.1	S167 L172 K173	S167-M169 PolarHBondContact O-N 2.67Å; S167-M169 VanDerWaalsContact O-N 3.12Å; S167-M169 PolarHBondContact OG-N 3.34Å; M169-L172 WeakPolarHBondContact O-CB 3.29Å; M169-L172 PolarHBondContact O-N 3.31Å; M169-K173 WeakPolarHBondContact O-CG 3.49Å; M169-K173 PolarHBondContact O-N 3.27Å
170	D	87.1	Confident	83.8	Confident	56 Å²	56	42.5 Å²	42.5	30%	0.299	24%	0.24	S	C	.	.	H	α-helix	trans	-72.4	-33.9	178.1	-60	-47.8	0	0	0	111.3	L166 S167 L172 K173 Q174	L166-D170 HydrophobicContact CB-CB 4.27Å; L166-D170 HydrophobicContact CD2-CB 4.07Å; S167-D170 PolarHBondContact O-N 3.33Å; S167-D170 VanDerWaalsContact OG-CG 3.29Å; S167-D170 PolarHBondContact OG-N 3.49Å; S167-D170 VanDerWaalsContact OG-N 3.14Å; S167-D170 PolarHBondContact OG-OD2 3.25Å; D170-L172 VanDerWaalsContact C-N 3.31Å; D170-L172 PolarHBondContact O-N 2.7Å; D170-K173 PolarHBondContact O-N 3.39Å; D170-K173 IonicContact OD1-NZ 3.78Å; D170-K173 PolarHBondContact OD1-NZ 3.44Å; D170-Q174 PolarHBondContact O-N 2.92Å; D170-Q174 VanDerWaalsContact O-N 3.14Å
171	W	89.6	Confident	83.5	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.015	25%	0.25	C	S	.	.	H	α-helix	trans	-58.2	-44.1	166.3	171	87.4	0	0	0	111.4	S167 K173 Q174 T175 I289 M292 Y293 E296	S167-W171 PolarHBondContact O-N 3.04Å; W171-K173 PolarHBondContact O-N 3.48Å; W171-Q174 PolarHBondContact O-N 3.49Å; W171-T175 HydrophobicContact CH2-CG2 4.41Å; W171-T175 HydrophobicContact CZ2-CG2 4.09Å; W171-T175 PolarHBondContact NE1-OG1 3.25Å; W171-T175 WeakPolarHBondContact O-CB 3.4Å; W171-T175 PolarHBondContact O-N 2.86Å; W171-T175 PolarHBondContact O-OG1 2.78Å; W171-I289 HydrophobicContact CE3-CG2 4.32Å; W171-I289 HydrophobicContact CZ3-CG2 3.69Å; W171-M292 HydrophobicContact CH2-CB 3.8Å; W171-M292 HydrophobicContact CH2-CE 4.41Å; W171-Y293 HydrophobicContact CB-CD2 3.73Å; W171-Y293 HydrophobicContact CB-CE2 4.08Å; W171-Y293 AromaticContact CD1-CD2 3.76Å; W171-Y293 AromaticContact CD2-CD2 3.87Å; W171-Y293 HydrophobicContact CD2-CD2 3.87Å; W171-Y293 HydrophobicContact CD2-CG 4.4Å; W171-Y293 HydrophobicContact CE3-CD2 4.48Å; W171-Y293 AromaticContact CG-CD2 3.51Å; W171-Y293 HydrophobicContact CG-CD2 3.51Å; W171-Y293 HydrophobicContact CG-CE2 4.22Å; W171-Y293 HydrophobicContact CG-CG 4.44Å; W171-E296 WeakPolarHBondContact CZ2-OE2 3.5Å; W171-E296 PolarHBondContact NE1-OE2 2.99Å
172	L	89.6	Confident	82.4	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62	-42.2	178.1	-172.4	68	0	0	0	111.5	W168 M169 D170 Q174 T175 Y176 Y256 F258 I289	W168-L172 HydrophobicContact CZ3-CD2 4.46Å; W168-L172 WeakPolarHBondContact O-CB 3.4Å; W168-L172 PolarHBondContact O-N 3.26Å; M169-L172 WeakPolarHBondContact O-CB 3.29Å; M169-L172 PolarHBondContact O-N 3.31Å; D170-L172 VanDerWaalsContact C-N 3.31Å; D170-L172 PolarHBondContact O-N 2.7Å; L172-Q174 PolarHBondContact O-N 3.37Å; L172-T175 PolarHBondContact O-N 2.91Å; L172-Y176 HydrophobicContact CD1-CD2 3.81Å; L172-Y176 CarbonylContact O-C 3.49Å; L172-Y176 VanDerWaalsContact O-C 3.31Å; L172-Y176 WeakPolarHBondContact O-CA 3.09Å; L172-Y176 PolarHBondContact O-N 3.45Å; L172-Y256 HydrophobicContact CD1-CD2 3.96Å; L172-Y256 HydrophobicContact CD1-CE2 4.07Å; L172-Y256 HydrophobicContact CD1-CG 4.3Å; L172-F258 HydrophobicContact CB-CZ 4.26Å; L172-F258 HydrophobicContact CD2-CD1 3.96Å; L172-F258 HydrophobicContact CD2-CE1 3.54Å; L172-F258 HydrophobicContact CD2-CE2 4.34Å; L172-F258 HydrophobicContact CD2-CZ 3.76Å; L172-F258 HydrophobicContact CG-CE1 3.76Å; L172-F258 HydrophobicContact CG-CZ 3.75Å; L172-I289 HydrophobicContact CD1-CG2 4.02Å; L172-I289 HydrophobicContact CD2-CD1 4.4Å
173	K	87.8	Confident	81.6	Confident	102 Å²	102	46.2 Å²	46.2	44%	0.443	27%	0.266	S	S	.	.	H	α-helix	trans	-60.3	-39.6	175.8	-68.3	172.1	-165.4	157.3	0	113.2	M169 D170 W171 P177 F258	M169-K173 WeakPolarHBondContact O-CG 3.49Å; M169-K173 PolarHBondContact O-N 3.27Å; D170-K173 PolarHBondContact O-N 3.39Å; D170-K173 IonicContact OD1-NZ 3.78Å; D170-K173 PolarHBondContact OD1-NZ 3.44Å; W171-K173 PolarHBondContact O-N 3.48Å; K173-P177 WeakPolarHBondContact O-CA 3.47Å; K173-P177 WeakPolarHBondContact O-CB 3.13Å; K173-P177 WeakPolarHBondContact O-CD 3.4Å; K173-F258 HydrophobicContact CG-CE2 3.58Å; K173-F258 HydrophobicContact CG-CZ 3.91Å
174	Q	85.2	Confident	81	Confident	54 Å²	54	49.1 Å²	49.1	25%	0.252	28%	0.281	S	S	.	.	H	α-helix	trans	-77.9	-31.9	179.2	-67.4	-175.6	12.9	0	0	112.5	D170 W171 L172 G666 R668	D170-Q174 PolarHBondContact O-N 2.92Å; D170-Q174 VanDerWaalsContact O-N 3.14Å; W171-Q174 PolarHBondContact O-N 3.49Å; L172-Q174 PolarHBondContact O-N 3.37Å; Q174-G666 WeakPolarHBondContact CB-O 3.3Å; Q174-R668 PolarHBondContact O-N 2.75Å; Q174-R668 VanDerWaalsContact O-N 3.14Å
175	T	86.6	Confident	80.4	Confident	6 Å²	6	48.6 Å²	48.6	4%	0.037	28%	0.279	C	S	.	.	H	α-helix	trans	-83.2	-47.2	-174	-60.1	0	0	0	0	112.2	W171 L172 R668	W171-T175 HydrophobicContact CH2-CG2 4.41Å; W171-T175 HydrophobicContact CZ2-CG2 4.09Å; W171-T175 PolarHBondContact NE1-OG1 3.25Å; W171-T175 WeakPolarHBondContact O-CB 3.4Å; W171-T175 PolarHBondContact O-N 2.86Å; W171-T175 PolarHBondContact O-OG1 2.78Å; L172-T175 PolarHBondContact O-N 2.91Å; T175-R668 VanDerWaalsContact CG2-NE 3.33Å; T175-R668 PolarHBondContact OG1-NE 2.97Å; T175-R668 VanDerWaalsContact OG1-NE 3.16Å; T175-R668 PolarHBondContact OG1-NH2 3.5Å
176	Y	89.4	Confident	79.8	Confident	32 Å²	32	54.1 Å²	54.1	13%	0.125	29%	0.285	C	S	.	.	S	Bend	trans	-132.4	68	179.6	-57	-63.6	0	0	0	108.7	L172 V254 Y256 M292	L172-Y176 HydrophobicContact CD1-CD2 3.81Å; L172-Y176 CarbonylContact O-C 3.49Å; L172-Y176 VanDerWaalsContact O-C 3.31Å; L172-Y176 WeakPolarHBondContact O-CA 3.09Å; L172-Y176 PolarHBondContact O-N 3.45Å; Y176-V254 HydrophobicContact CD1-CB 4.31Å; Y176-V254 HydrophobicContact CD1-CG2 4.33Å; Y176-V254 VanDerWaalsContact CD1-O 3.26Å; Y176-V254 WeakPolarHBondContact CD1-O 3.45Å; Y176-V254 HydrophobicContact CE1-CB 3.87Å; Y176-V254 HydrophobicContact CE1-CG2 3.77Å; Y176-Y256 AromaticContact CD2-CD2 3.95Å; Y176-Y256 HydrophobicContact CD2-CD2 3.95Å; Y176-Y256 AromaticContact CD2-CE2 3.45Å; Y176-Y256 HydrophobicContact CD2-CE2 3.45Å; Y176-Y256 VanDerWaalsContact CD2-CE2 3.45Å; Y176-Y256 HydrophobicContact CE2-CE2 4.03Å; Y176-Y256 AromaticContact CG-CD2 3.94Å; Y176-Y256 HydrophobicContact CG-CD2 3.94Å; Y176-Y256 AromaticContact CG-CE2 3.8Å; Y176-Y256 HydrophobicContact CG-CE2 3.8Å; Y176-M292 HydrophobicContact CE2-CE 4.22Å
177	P	87.3	Confident	78.9	Confident	23 Å²	23	57.1 Å²	57.1	15%	0.149	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-58.6	130.5	179.8	20.4	-29.8	0	0	0	110.4	K173	K173-P177 WeakPolarHBondContact O-CA 3.47Å; K173-P177 WeakPolarHBondContact O-CB 3.13Å; K173-P177 WeakPolarHBondContact O-CD 3.4Å
178	P	85.4	Confident	77.8	Confident	14 Å²	14	55.2 Å²	55.2	9%	0.091	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-65.7	136.5	171.2	-13.1	25.8	0	0	0	110.3	H180 F258 F266	P178-H180 PolarHBondContact O-CE1 3.14Å; P178-H180 VanDerWaalsContact O-CE1 3.3Å; P178-H180 PolarHBondContact O-ND1 3.46Å; P178-H180 VanDerWaalsContact O-ND1 3.07Å; P178-F258 HydrophobicContact CG-CD1 3.92Å; P178-F258 HydrophobicContact CG-CD2 4.48Å; P178-F258 HydrophobicContact CG-CE1 3.55Å; P178-F258 HydrophobicContact CG-CE2 4.16Å; P178-F258 HydrophobicContact CG-CG 4.37Å; P178-F258 HydrophobicContact CG-CZ 3.68Å; P178-F266 HydrophobicContact CB-CD1 3.95Å; P178-F266 HydrophobicContact CB-CE1 3.66Å; P178-F266 HydrophobicContact CG-CE1 4.47Å
179	E	82.2	Confident	76.6	Confident	36 Å²	36	60.6 Å²	60.6	17%	0.168	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-87	122.7	178.6	-67.9	-179.5	108.3	0	0	110.5	F266 Q267 R669	E179-F266 VanDerWaalsContact O-CA 3.32Å; E179-F266 WeakPolarHBondContact O-CA 3.3Å; E179-Q267 HydrophobicContact CB-CB 3.72Å; E179-Q267 PolarHBondContact O-N 2.94Å; E179-Q267 PolarHBondContact OE1-OE1 3.33Å; E179-Q267 PolarHBondContact OE2-OE1 3.31Å; E179-R669 IonicContact OE1-CZ 3.69Å; E179-R669 VanDerWaalsContact OE1-CZ 3.31Å; E179-R669 IonicContact OE1-NH1 3.84Å; E179-R669 PolarHBondContact OE1-NH1 3.3Å; E179-R669 IonicContact OE1-NH2 3.12Å; E179-R669 IonicContact OE2-CZ 2.7Å; E179-R669 IonicContact OE2-NH1 3.85Å; E179-R669 PolarHBondContact OE2-NH1 2.9Å; E179-R669 IonicContact OE2-NH2 2.72Å; E179-R669 PolarHBondContact OE2-NH2 3.32Å
180	H	81.5	Confident	75.7	Confident	48 Å²	48	64.2 Å²	64.2	22%	0.222	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-114.5	136	-179.1	-54.3	93.7	0	0	0	111.2	P178 H261 Q265 F266	P178-H180 PolarHBondContact O-CE1 3.14Å; P178-H180 VanDerWaalsContact O-CE1 3.3Å; P178-H180 PolarHBondContact O-ND1 3.46Å; P178-H180 VanDerWaalsContact O-ND1 3.07Å; H180-H261 AromaticContact CD2-CD2 3.92Å; H180-H261 AromaticContact CD2-CG 3.76Å; H180-H261 AromaticContact NE2-CD2 3.34Å; H180-H261 PolarHBondContact NE2-CD2 3.46Å; H180-H261 VanDerWaalsContact NE2-CD2 3.34Å; H180-H261 AromaticContact NE2-CG 3.64Å; H180-H261 AromaticContact NE2-NE2 3.93Å; H180-Q265 CarbonylContact C-O 3.49Å; H180-Q265 WeakPolarHBondContact CA-O 3.33Å; H180-F266 AromaticContact NE2-CE1 3.49Å; H180-F266 WeakPolarHBondContact NE2-CE1 2.95Å; H180-F266 AromaticContact NE2-CZ 3.93Å
181	E	72.7	Confident	75.1	Confident	57 Å²	57	63.5 Å²	63.5	27%	0.266	33%	0.329	S	S	.	.			trans	-106.8	115.5	165.5	-75.2	-169.7	-160	0	0	109.9	Q265 R270	E181-Q265 PolarHBondContact N-O 3.25Å; E181-R270 VanDerWaalsContact CD-CD 3.46Å; E181-R270 PolarHBondContact O-NH2 3.24Å; E181-R270 WeakPolarHBondContact OE2-CD 3.5Å; E181-R270 IonicContact OE2-CZ 2.86Å; E181-R270 IonicContact OE2-NE 3.76Å; E181-R270 PolarHBondContact OE2-NE 3.13Å; E181-R270 IonicContact OE2-NH1 2.64Å; E181-R270 PolarHBondContact OE2-NH1 2.74Å
182	P	57.8	Low	74.6	Confident	116 Å²	116	64.4 Å²	64.4	75%	0.753	33%	0.333	S	S	*	.			trans	-73.5	-32.7	-169.9	24.9	-31.9	0	0	0	114
183	S	64.4	Low	73.7	Confident	76 Å²	76	73.3 Å²	73.3	53%	0.531	37%	0.368	S	S	.	.	S	Bend	trans	-83.4	137.6	179	56	0	0	0	0	110.7	R270	S183-R270 PolarHBondContact O-NH1 2.9Å; S183-R270 PolarHBondContact O-NH2 3.03Å
184	I	64.4	Low	72.7	Confident	85 Å²	85	72.2 Å²	72.2	44%	0.436	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-97.5	123.9	171.7	-59.8	174.2	0	0	0	107.2	E186 L188 I264	I184-E186 PolarHBondContact O-N 3.02Å; I184-L188 HydrophobicContact CG2-CD1 4.22Å; I184-I264 HydrophobicContact CD1-CG2 4.29Å; I184-I264 HydrophobicContact CG1-CG2 4.44Å
185	P	63.8	Low	72.4	Confident	40 Å²	40	71.3 Å²	71.3	26%	0.26	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-58.3	136.3	177.6	-23.1	31.4	0	0	0	111.3	N187 L188	P185-N187 PolarHBondContact O-N 2.93Å; P185-L188 HydrophobicContact CB-CD1 4.4Å; P185-L188 HydrophobicContact CG-CD1 4.07Å; P185-L188 WeakPolarHBondContact O-CB 3.46Å; P185-L188 PolarHBondContact O-N 2.63Å
186	E	60.2	Low	72.4	Confident	190 Å²	190	75.9 Å²	75.9	89%	0.888	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-26.6	179.3	-65.5	-177.9	167.9	0	0	112.4	I184 L188	I184-E186 PolarHBondContact O-N 3.02Å; E186-L188 VanDerWaalsContact C-N 3.34Å; E186-L188 PolarHBondContact O-N 2.84Å
187	N	61.6	Low	72.5	Confident	103 Å²	103	74.7 Å²	74.7	55%	0.551	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	23.1	-176.9	-58.2	-28.2	0	0	0	114	P185	P185-N187 PolarHBondContact O-N 2.93Å
188	L	64.8	Low	72.7	Confident	14 Å²	14	76.7 Å²	76.7	7%	0.073	42%	0.415	C	S	.	.			trans	-74.5	-33	-173.3	-152.3	114.6	0	0	0	113	I184 P185 E186 D190 K191 L192 I264 V273	I184-L188 HydrophobicContact CG2-CD1 4.22Å; P185-L188 HydrophobicContact CB-CD1 4.4Å; P185-L188 HydrophobicContact CG-CD1 4.07Å; P185-L188 WeakPolarHBondContact O-CB 3.46Å; P185-L188 PolarHBondContact O-N 2.63Å; E186-L188 VanDerWaalsContact C-N 3.34Å; E186-L188 PolarHBondContact O-N 2.84Å; L188-D190 VanDerWaalsContact C-N 3.31Å; L188-D190 PolarHBondContact O-N 2.86Å; L188-K191 PolarHBondContact O-N 3.46Å; L188-L192 HydrophobicContact CD2-CD1 3.67Å; L188-L192 HydrophobicContact CD2-CG 4.34Å; L188-I264 HydrophobicContact CD1-CD1 3.86Å; L188-I264 HydrophobicContact CD1-CG1 3.67Å; L188-I264 HydrophobicContact CD2-CD1 3.84Å; L188-I264 HydrophobicContact CD2-CG1 3.64Å; L188-I264 HydrophobicContact CG-CD1 4.33Å; L188-I264 HydrophobicContact CG-CG1 4.28Å; L188-V273 HydrophobicContact CG-CG1 4.37Å
189	E	61.9	Low	73	Confident	161 Å²	161	76.1 Å²	76.1	75%	0.752	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-63	-37.7	-176.6	-65.2	-174.2	167.6	0	0	112	K191 L192	E189-K191 PolarHBondContact O-N 3.12Å; E189-L192 PolarHBondContact O-N 3.41Å
190	D	66.8	Low	73.5	Confident	132 Å²	132	74.5 Å²	74.5	71%	0.706	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-67.8	-17.7	179.3	-65.5	-21.9	0	0	0	113.9	L188	L188-D190 VanDerWaalsContact C-N 3.31Å; L188-D190 PolarHBondContact O-N 2.86Å
191	K	74.1	Confident	74	Confident	41 Å²	41	72.2 Å²	72.2	18%	0.178	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-98.4	-10.1	-178.5	-64.6	-170.5	-177.7	-175.3	0	113.3	L188 E189 V273 M274 D833	L188-K191 PolarHBondContact O-N 3.46Å; E189-K191 PolarHBondContact O-N 3.12Å; K191-V273 HydrophobicContact CB-CG1 4.05Å; K191-M274 HydrophobicContact CD-SD 3.95Å; K191-M274 PolarHBondContact NZ-SD 3.1Å; K191-D833 IonicContact NZ-OD2 3.47Å
192	L	78.8	Confident	74.7	Confident	22 Å²	22	70.3 Å²	70.3	12%	0.115	38%	0.384	C	S	.	.	S	Bend	trans	-99.4	144.9	-179.3	-66.3	176.3	0	0	0	111.1	L188 E189 G194 L197 P216 V273	L188-L192 HydrophobicContact CD2-CD1 3.67Å; L188-L192 HydrophobicContact CD2-CG 4.34Å; E189-L192 PolarHBondContact O-N 3.41Å; L192-G194 PolarHBondContact O-N 3.36Å; L192-L197 HydrophobicContact CD2-CB 4.46Å; L192-L197 HydrophobicContact CD2-CD1 4.16Å; L192-P216 HydrophobicContact CD1-CB 4.08Å; L192-P216 HydrophobicContact CD1-CG 3.72Å; L192-V273 HydrophobicContact CD2-CG1 3.94Å; L192-V273 HydrophobicContact CD2-CG2 3.89Å; L192-V273 HydrophobicContact CG-CG1 4.44Å
193	Y	70.6	Confident	76	Confident	188 Å²	188	65.2 Å²	65.2	74%	0.737	35%	0.35	S	S	*	.	B	Isolated β-bridge	trans	-78.1	98.6	179.3	-160	-95.5	0	0	0	109.6	G195 K196	Y193-G195 VanDerWaalsContact C-N 3.29Å; Y193-G195 PolarHBondContact O-N 3.12Å; Y193-K196 PolarHBondContact N-O 3.03Å; Y193-K196 PolarHBondContact O-N 3.39Å
194	G	68.6	Low	76.2	Confident	78 Å²	78	65.6 Å²	65.6	80%	0.804	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	33.7	-175.9	0	0	0	0	0	113.4	L192 K196	L192-G194 PolarHBondContact O-N 3.36Å; G194-K196 PolarHBondContact O-N 2.91Å
195	G	78.5	Confident	76.4	Confident	35 Å²	35	69.1 Å²	69.1	36%	0.361	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	72	9.4	-177.3	0	0	0	0	0	114.8	Y193 P216	Y193-G195 VanDerWaalsContact C-N 3.29Å; Y193-G195 PolarHBondContact O-N 3.12Å; G195-P216 WeakPolarHBondContact O-CD 3.24Å
196	K	86.3	Confident	76.6	Confident	102 Å²	102	68.6 Å²	68.6	44%	0.443	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-109.5	146.6	177.3	-61	-65.6	-175.6	178.7	0	111.4	Y193 G194	Y193-K196 PolarHBondContact N-O 3.03Å; Y193-K196 PolarHBondContact O-N 3.39Å; G194-K196 PolarHBondContact O-N 2.91Å
197	L	90.2	Very high	77.2	Confident	7 Å²	7	67.5 Å²	67.5	4%	0.037	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	131.9	171.8	-177.8	72.4	0	0	0	108.8	L192 V199 Q213 V214 L263 I269 V273 P279	L192-L197 HydrophobicContact CD2-CB 4.46Å; L192-L197 HydrophobicContact CD2-CD1 4.16Å; L197-V199 HydrophobicContact CD2-CG1 3.6Å; L197-V199 HydrophobicContact CG-CG1 3.85Å; L197-Q213 CarbonylContact O-C 3.55Å; L197-Q213 WeakPolarHBondContact O-CA 3.3Å; L197-V214 HydrophobicContact CB-CG2 4.02Å; L197-V214 HydrophobicContact CD2-CG2 4.14Å; L197-V214 HydrophobicContact CG-CG2 4.37Å; L197-V214 PolarHBondContact N-O 3.01Å; L197-V214 PolarHBondContact O-N 2.85Å; L197-L263 HydrophobicContact CD2-CB 4.48Å; L197-L263 HydrophobicContact CD2-CD1 4.35Å; L197-I269 HydrophobicContact CD1-CG2 4.35Å; L197-I269 HydrophobicContact CD2-CG2 3.66Å; L197-V273 HydrophobicContact CD1-CG2 3.44Å; L197-V273 VanDerWaalsContact CD1-CG2 3.44Å; L197-P279 HydrophobicContact CD1-CG 4.27Å
198	I	91.8	Very high	78	Confident	66 Å²	66	66.3 Å²	66.3	34%	0.338	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	126.8	170.3	-55.2	177.6	0	0	0	107	F212 Q213 L278 P279	I198-F212 CarbonylContact C-O 3.41Å; I198-F212 WeakPolarHBondContact CA-O 3.47Å; I198-Q213 HydrophobicContact CG1-CG 4.23Å; I198-L278 HydrophobicContact CB-CD1 4.21Å; I198-L278 HydrophobicContact CG2-CD1 3.81Å; I198-L278 WeakPolarHBondContact O-CD1 3.42Å; I198-P279 VanDerWaalsContact O-CD 3.27Å; I198-P279 WeakPolarHBondContact O-CD 3.37Å
199	V	93	Very high	79.1	Confident	1 Å²	1	69 Å²	69	1%	0.006	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	140.8	176.4	-61.4	0	0	0	0	110	L197 I201 S211 F212 V214 V223 P279 F281	L197-V199 HydrophobicContact CD2-CG1 3.6Å; L197-V199 HydrophobicContact CG-CG1 3.85Å; V199-I201 HydrophobicContact CG2-CD1 4.28Å; V199-I201 HydrophobicContact CG2-CG1 4.39Å; V199-S211 CarbonylContact O-C 3.5Å; V199-S211 WeakPolarHBondContact O-CA 3.39Å; V199-F212 HydrophobicContact CG2-CB 3.92Å; V199-F212 PolarHBondContact N-O 3.39Å; V199-F212 PolarHBondContact O-N 2.84Å; V199-V214 HydrophobicContact CG1-CG2 4Å; V199-V214 HydrophobicContact CG2-CG1 4.22Å; V199-V214 HydrophobicContact CG2-CG2 4.1Å; V199-V223 HydrophobicContact CG2-CG1 4.33Å; V199-P279 HydrophobicContact CG1-CB 4.28Å; V199-P279 HydrophobicContact CG1-CG 4.29Å; V199-F281 HydrophobicContact CG1-CE2 4.36Å
200	A	92.1	Very high	80.4	Confident	2 Å²	2	62.2 Å²	62.2	2%	0.017	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	129	174.3	0	0	0	0	0	110	V209 F210 L278 P279 H280 F281	A200-V209 HydrophobicContact CB-CG1 3.88Å; A200-F210 WeakPolarHBondContact CA-O 3.42Å; A200-L278 HydrophobicContact CB-CD1 4.31Å; A200-L278 HydrophobicContact CB-CD2 3.85Å; A200-L278 HydrophobicContact CB-CG 3.98Å; A200-P279 PolarHBondContact N-O 3.04Å; A200-H280 WeakPolarHBondContact CB-ND1 3.4Å; A200-H280 WeakPolarHBondContact O-CA 3.47Å; A200-F281 PolarHBondContact O-N 2.96Å
201	I	91.3	Very high	81.5	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	133.7	-175.9	-51.3	175.3	0	0	0	108.7	V199 F210 F212 V223 A227 L248 F281 L283	V199-I201 HydrophobicContact CG2-CD1 4.28Å; V199-I201 HydrophobicContact CG2-CG1 4.39Å; I201-F210 PolarHBondContact N-O 3.04Å; I201-F210 PolarHBondContact O-N 2.67Å; I201-F212 HydrophobicContact CB-CD2 4.4Å; I201-F212 HydrophobicContact CB-CE2 4.05Å; I201-F212 HydrophobicContact CD1-CD2 3.61Å; I201-F212 HydrophobicContact CD1-CE2 3.75Å; I201-F212 HydrophobicContact CG1-CD2 4Å; I201-F212 HydrophobicContact CG1-CE2 4.12Å; I201-V223 HydrophobicContact CD1-CG1 3.25Å; I201-V223 HydrophobicContact CG1-CG1 4.46Å; I201-A227 HydrophobicContact CD1-CB 4.09Å; I201-A227 HydrophobicContact CG2-CB 4.19Å; I201-L248 HydrophobicContact CD1-CD2 4.44Å; I201-F281 WeakPolarHBondContact CA-O 3.49Å; I201-F281 HydrophobicContact CG1-CB 4.44Å; I201-L283 HydrophobicContact CG2-CB 4.11Å
202	H	87.9	Confident	82.4	Confident	18 Å²	18	59.1 Å²	59.1	8%	0.083	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	158.8	168.4	70.3	108.6	0	0	0	111.2	D208 V209 F281 I282 L283	H202-D208 WeakPolarHBondContact CB-O 3.45Å; H202-V209 HydrophobicContact CB-CG2 4.18Å; H202-F281 PolarHBondContact CD2-O 3.5Å; H202-F281 VanDerWaalsContact CD2-O 3.23Å; H202-F281 PolarHBondContact N-O 3.33Å; H202-I282 WeakPolarHBondContact NE2-CG1 3.5Å; H202-I282 WeakPolarHBondContact O-CA 3.31Å; H202-L283 PolarHBondContact O-N 3.34Å
203	F	84.1	Confident	83.1	Confident	9 Å²	9	64.7 Å²	64.7	4%	0.039	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	146.5	175.1	-66.5	-99.2	0	0	0	109.1	N205 C206 F210 A227 R231 L283	F203-N205 PolarHBondContact O-N 3.19Å; F203-N205 VanDerWaalsContact O-N 3.1Å; F203-C206 HydrophobicContact CB-CB 3.86Å; F203-C206 PolarHBondContact O-N 3.04Å; F203-F210 HydrophobicContact CD2-CD2 4.1Å; F203-F210 AromaticContact CD2-CE2 3.75Å; F203-F210 HydrophobicContact CD2-CE2 3.75Å; F203-F210 AromaticContact CE2-CD2 3.87Å; F203-F210 HydrophobicContact CE2-CD2 3.87Å; F203-F210 AromaticContact CE2-CE2 3.72Å; F203-F210 HydrophobicContact CE2-CE2 3.72Å; F203-A227 HydrophobicContact CZ-CB 4.25Å; F203-R231 HydrophobicContact CE1-CB 4.36Å; F203-R231 HydrophobicContact CE1-CG 4.45Å; F203-R231 HydrophobicContact CE2-CB 3.75Å; F203-R231 HydrophobicContact CE2-CG 4.19Å; F203-R231 HydrophobicContact CZ-CB 3.6Å; F203-R231 VanDerWaalsContact CZ-CD 3.46Å; F203-R231 HydrophobicContact CZ-CG 4.09Å; F203-L283 HydrophobicContact CD1-CB 4.29Å; F203-L283 HydrophobicContact CD1-CD2 4.07Å; F203-L283 HydrophobicContact CE1-CB 4.4Å; F203-L283 HydrophobicContact CE1-CD2 3.4Å; F203-L283 VanDerWaalsContact CE1-CD2 3.4Å; F203-L283 HydrophobicContact CE1-CG 4.48Å; F203-L283 HydrophobicContact CZ-CD2 3.84Å
204	E	69.8	Low	84.1	Confident	84 Å²	84	55.9 Å²	55.9	39%	0.393	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-31.1	-169.8	-155.3	179.6	163.7	0	0	114.5	I282 K288	E204-I282 HydrophobicContact CB-CG2 4.2Å; E204-I282 HydrophobicContact CG-CG2 4.25Å; E204-K288 IonicContact OE1-NZ 3.51Å; E204-K288 PolarHBondContact OE1-NZ 3Å; E204-K288 VanDerWaalsContact OE2-CD 3.3Å; E204-K288 WeakPolarHBondContact OE2-CD 3.33Å; E204-K288 WeakPolarHBondContact OE2-CE 3.08Å; E204-K288 IonicContact OE2-NZ 3.28Å; E204-K288 PolarHBondContact OE2-NZ 3.15Å
205	N	68.1	Low	85.2	Confident	158 Å²	158	53.9 Å²	53.9	85%	0.845	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	11.9	179	-61.7	-27.2	0	0	0	113.3	F203	F203-N205 PolarHBondContact O-N 3.19Å; F203-N205 VanDerWaalsContact O-N 3.1Å
206	C	69.4	Low	85.7	Confident	30 Å²	30	52.7 Å²	52.7	20%	0.203	28%	0.275	C	S	.	.			trans	-118	136	-175.4	-165.9	0	0	0	0	110.2	F203 D208	F203-C206 HydrophobicContact CB-CB 3.86Å; F203-C206 PolarHBondContact O-N 3.04Å; C206-D208 VanDerWaalsContact C-N 3.27Å; C206-D208 VanDerWaalsContact SG-CB 3.59Å; C206-D208 PolarHBondContact SG-N 2.93Å; C206-D208 VanDerWaalsContact SG-N 3.43Å
207	Q	71.1	Confident	85.9	Confident	166 Å²	166	52.5 Å²	52.5	78%	0.776	28%	0.28	S	S	*	.			trans	-79.9	-13.9	172.7	-65.6	-173.2	-2.1	0	0	112.2
208	D	80.1	Confident	86	Confident	79 Å²	79	54.7 Å²	54.7	42%	0.422	29%	0.29	S	S	.	.			trans	-77.1	132.4	-178.7	-59.3	-43.6	0	0	0	111.2	H202 C206 F210 H235	H202-D208 WeakPolarHBondContact CB-O 3.45Å; C206-D208 VanDerWaalsContact C-N 3.27Å; C206-D208 VanDerWaalsContact SG-CB 3.59Å; C206-D208 PolarHBondContact SG-N 2.93Å; C206-D208 VanDerWaalsContact SG-N 3.43Å; D208-F210 HydrophobicContact CB-CE1 4.23Å; D208-F210 HydrophobicContact CB-CE2 4.33Å; D208-F210 HydrophobicContact CB-CZ 3.85Å; D208-H235 IonicContact OD2-CE1 3.92Å; D208-H235 IonicContact OD2-NE2 2.8Å
209	V	85.9	Confident	86	Confident	71 Å²	71	53.6 Å²	53.6	43%	0.43	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	125.9	173.1	-177.1	0	0	0	0	108.5	A200 H202	A200-V209 HydrophobicContact CB-CG1 3.88Å; H202-V209 HydrophobicContact CB-CG2 4.18Å
210	F	89.4	Confident	86.1	Confident	17 Å²	17	53.7 Å²	53.7	8%	0.075	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	128	178.4	-55.6	-67.6	0	0	0	110.4	A200 I201 F203 D208 F212 K230 I234	A200-F210 WeakPolarHBondContact CA-O 3.42Å; I201-F210 PolarHBondContact N-O 3.04Å; I201-F210 PolarHBondContact O-N 2.67Å; F203-F210 HydrophobicContact CD2-CD2 4.1Å; F203-F210 AromaticContact CD2-CE2 3.75Å; F203-F210 HydrophobicContact CD2-CE2 3.75Å; F203-F210 AromaticContact CE2-CD2 3.87Å; F203-F210 HydrophobicContact CE2-CD2 3.87Å; F203-F210 AromaticContact CE2-CE2 3.72Å; F203-F210 HydrophobicContact CE2-CE2 3.72Å; D208-F210 HydrophobicContact CB-CE1 4.23Å; D208-F210 HydrophobicContact CB-CE2 4.33Å; D208-F210 HydrophobicContact CB-CZ 3.85Å; F210-F212 HydrophobicContact CB-CD2 4.43Å; F210-F212 HydrophobicContact CB-CE2 3.45Å; F210-F212 VanDerWaalsContact CB-CE2 3.45Å; F210-F212 HydrophobicContact CB-CZ 3.61Å; F210-F212 HydrophobicContact CG-CZ 4.46Å; F210-K230 HydrophobicContact CD1-CG 3.92Å; F210-K230 HydrophobicContact CE1-CG 4.43Å; F210-K230 HydrophobicContact CG-CG 4.25Å; F210-I234 HydrophobicContact CD1-CD1 4.07Å; F210-I234 HydrophobicContact CE1-CD1 3.36Å; F210-I234 HydrophobicContact CZ-CD1 4.12Å
211	S	91.3	Very high	86.1	Confident	84 Å²	84	55.5 Å²	55.5	59%	0.587	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	132.4	176	-60.6	0	0	0	0	111.1	V199	V199-S211 CarbonylContact O-C 3.5Å; V199-S211 WeakPolarHBondContact O-CA 3.39Å
212	F	92.3	Very high	86.2	Confident	24 Å²	24	59.9 Å²	59.9	11%	0.105	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	140.2	-179.7	-57.9	-87.2	0	0	0	111	I198 V199 I201 F210 V214 L226 A227 K230	I198-F212 CarbonylContact C-O 3.41Å; I198-F212 WeakPolarHBondContact CA-O 3.47Å; V199-F212 HydrophobicContact CG2-CB 3.92Å; V199-F212 PolarHBondContact N-O 3.39Å; V199-F212 PolarHBondContact O-N 2.84Å; I201-F212 HydrophobicContact CB-CD2 4.4Å; I201-F212 HydrophobicContact CB-CE2 4.05Å; I201-F212 HydrophobicContact CD1-CD2 3.61Å; I201-F212 HydrophobicContact CD1-CE2 3.75Å; I201-F212 HydrophobicContact CG1-CD2 4Å; I201-F212 HydrophobicContact CG1-CE2 4.12Å; F210-F212 HydrophobicContact CB-CD2 4.43Å; F210-F212 HydrophobicContact CB-CE2 3.45Å; F210-F212 VanDerWaalsContact CB-CE2 3.45Å; F210-F212 HydrophobicContact CB-CZ 3.61Å; F210-F212 HydrophobicContact CG-CZ 4.46Å; F212-V214 HydrophobicContact CB-CG1 4.01Å; F212-L226 HydrophobicContact CD1-CB 3.97Å; F212-L226 HydrophobicContact CE1-CB 4.09Å; F212-L226 WeakPolarHBondContact CE1-O 3.32Å; F212-A227 HydrophobicContact CE2-CB 4.32Å; F212-A227 HydrophobicContact CZ-CB 4.27Å; F212-K230 HydrophobicContact CE1-CB 3.83Å; F212-K230 HydrophobicContact CE1-CG 4.17Å; F212-K230 HydrophobicContact CZ-CB 3.82Å; F212-K230 HydrophobicContact CZ-CG 4.09Å
213	Q	92.6	Very high	86.5	Confident	139 Å²	139	59.1 Å²	59.1	65%	0.65	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	112.8	167.3	-71.2	179.2	-13.3	0	0	108.8	L197 I198	L197-Q213 CarbonylContact O-C 3.55Å; L197-Q213 WeakPolarHBondContact O-CA 3.3Å; I198-Q213 HydrophobicContact CG1-CG 4.23Å
214	V	93.3	Very high	86.9	Confident	3 Å²	3	59 Å²	59	2%	0.018	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	159.8	-175.1	-59.4	0	0	0	0	110.9	L197 V199 F212 M218 V223 L226 L263	L197-V214 HydrophobicContact CB-CG2 4.02Å; L197-V214 HydrophobicContact CD2-CG2 4.14Å; L197-V214 HydrophobicContact CG-CG2 4.37Å; L197-V214 PolarHBondContact N-O 3.01Å; L197-V214 PolarHBondContact O-N 2.85Å; V199-V214 HydrophobicContact CG1-CG2 4Å; V199-V214 HydrophobicContact CG2-CG1 4.22Å; V199-V214 HydrophobicContact CG2-CG2 4.1Å; F212-V214 HydrophobicContact CB-CG1 4.01Å; V214-M218 HydrophobicContact CB-SD 4.06Å; V214-M218 HydrophobicContact CG1-SD 4.22Å; V214-V223 HydrophobicContact CG1-CG2 4.46Å; V214-L226 HydrophobicContact CG1-CD1 3.81Å; V214-L263 HydrophobicContact CG2-CD1 3.78Å
215	S	91.3	Very high	88	Confident	36 Å²	36	57.4 Å²	57.4	25%	0.252	30%	0.303	S	S	.	.			trans	-74.1	138.1	170.1	175.8	0	0	0	0	109.4	N217 M218	S215-N217 PolarHBondContact O-N 2.98Å; S215-N217 PolarHBondContact OG-N 3.36Å; S215-M218 WeakPolarHBondContact O-CB 3.5Å; S215-M218 PolarHBondContact O-N 3.49Å; S215-M218 VanDerWaalsContact O-N 3.1Å
216	P	89	Confident	89.2	Confident	10 Å²	10	52.7 Å²	52.7	7%	0.065	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-21.3	173	27.9	-37.6	0	0	0	112.9	L192 G195 L263 I264	L192-P216 HydrophobicContact CD1-CB 4.08Å; L192-P216 HydrophobicContact CD1-CG 3.72Å; G195-P216 WeakPolarHBondContact O-CD 3.24Å; P216-L263 PolarHBondContact O-N 3.42Å; P216-I264 HydrophobicContact CB-CB 4.07Å; P216-I264 PolarHBondContact O-N 3.17Å
217	N	89.1	Confident	90.2	Very high	99 Å²	99	51.2 Å²	51.2	53%	0.529	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	3.6	179.4	-61.8	-29.2	0	0	0	113.4	S215	S215-N217 PolarHBondContact O-N 2.98Å; S215-N217 PolarHBondContact OG-N 3.36Å
218	M	92.6	Very high	91	Very high	53 Å²	53	44 Å²	44	26%	0.261	23%	0.233	S	C	.	.	S	Bend	trans	-72.7	152.2	175.9	-176.8	173.5	-82.3	0	0	110.4	V214 S215 K222 V223 L226 L263	V214-M218 HydrophobicContact CB-SD 4.06Å; V214-M218 HydrophobicContact CG1-SD 4.22Å; S215-M218 WeakPolarHBondContact O-CB 3.5Å; S215-M218 PolarHBondContact O-N 3.49Å; S215-M218 VanDerWaalsContact O-N 3.1Å; M218-K222 HydrophobicContact CE-CB 4.17Å; M218-K222 HydrophobicContact CG-CB 3.44Å; M218-K222 VanDerWaalsContact CG-CB 3.44Å; M218-K222 HydrophobicContact CG-CG 4.08Å; M218-K222 HydrophobicContact SD-CB 3.5Å; M218-K222 VanDerWaalsContact SD-CB 3.5Å; M218-V223 HydrophobicContact SD-CG2 4.27Å; M218-L226 HydrophobicContact SD-CD1 4.42Å; M218-L263 HydrophobicContact CB-CD1 4.2Å; M218-L263 VanDerWaalsContact O-CG 3.27Å; M218-L263 WeakPolarHBondContact O-CG 3.4Å; M218-L263 PolarHBondContact O-N 2.97Å
219	N	93.1	Very high	91.4	Very high	42 Å²	42	45.6 Å²	45.6	23%	0.225	24%	0.239	C	C	.	.			trans	-88	150.7	173.5	-65.2	-10.5	0	0	0	111.2	I221 K222 D260 H261	N219-I221 HydrophobicContact CB-CG2 4.34Å; N219-I221 PolarHBondContact O-N 2.92Å; N219-I221 VanDerWaalsContact O-N 3.08Å; N219-K222 PolarHBondContact O-N 2.65Å; N219-D260 PolarHBondContact ND2-OD1 2.95Å; N219-H261 PolarHBondContact OD1-O 3.14Å
220	P	94.2	Very high	91.4	Very high	4 Å²	4	46.8 Å²	46.8	3%	0.026	24%	0.238	C	C	.	.	H	α-helix	trans	-49.3	-37.8	-179.5	-31.7	36.1	0	0	0	114.8	K222 V223 N224 L248 V257 H261 L263 F266	P220-K222 PolarHBondContact O-N 3.47Å; P220-V223 WeakPolarHBondContact O-CA 3.36Å; P220-V223 VanDerWaalsContact O-CB 3.26Å; P220-V223 WeakPolarHBondContact O-CB 3.45Å; P220-V223 PolarHBondContact O-N 3.31Å; P220-N224 PolarHBondContact O-N 2.97Å; P220-N224 VanDerWaalsContact O-N 3.16Å; P220-L248 HydrophobicContact CB-CD1 4.13Å; P220-V257 HydrophobicContact CB-CG1 4.26Å; P220-V257 HydrophobicContact CG-CG1 3.76Å; P220-H261 VanDerWaalsContact CD-O 3.25Å; P220-H261 WeakPolarHBondContact CD-O 3.43Å; P220-L263 HydrophobicContact CG-CD2 4.26Å; P220-F266 HydrophobicContact CG-CE2 3.67Å; P220-F266 HydrophobicContact CG-CZ 3.78Å
221	I	93.3	Very high	91.1	Very high	40 Å²	40	49.5 Å²	49.5	21%	0.205	25%	0.248	C	C	.	.	H	α-helix	trans	-59.5	-33.5	-179.3	-167.6	63.1	0	0	0	113.3	N219 V223 N224 E225 P243 Y244	N219-I221 HydrophobicContact CB-CG2 4.34Å; N219-I221 PolarHBondContact O-N 2.92Å; N219-I221 VanDerWaalsContact O-N 3.08Å; I221-V223 VanDerWaalsContact C-N 3.29Å; I221-V223 PolarHBondContact O-N 3.49Å; I221-N224 WeakPolarHBondContact O-CB 3.23Å; I221-N224 PolarHBondContact O-N 3.1Å; I221-E225 PolarHBondContact O-N 2.95Å; I221-P243 HydrophobicContact CD1-CB 3.99Å; I221-P243 HydrophobicContact CD1-CG 4.43Å; I221-P243 WeakPolarHBondContact CD1-O 3.39Å; I221-Y244 HydrophobicContact CD1-CD1 3.75Å; I221-Y244 HydrophobicContact CD1-CE1 3.9Å; I221-Y244 HydrophobicContact CD1-CG 4.1Å; I221-Y244 HydrophobicContact CG1-CD1 4.34Å; I221-Y244 HydrophobicContact CG1-CE1 3.95Å
222	K	93.3	Very high	90.7	Very high	92 Å²	92	48.3 Å²	48.3	40%	0.4	23%	0.234	S	C	.	.	H	α-helix	trans	-72.1	-27.5	177.4	-65.8	-52.4	-171.8	-172.7	0	112.3	M218 N219 P220 E225 L226	M218-K222 HydrophobicContact CE-CB 4.17Å; M218-K222 HydrophobicContact CG-CB 3.44Å; M218-K222 VanDerWaalsContact CG-CB 3.44Å; M218-K222 HydrophobicContact CG-CG 4.08Å; M218-K222 HydrophobicContact SD-CB 3.5Å; M218-K222 VanDerWaalsContact SD-CB 3.5Å; N219-K222 PolarHBondContact O-N 2.65Å; P220-K222 PolarHBondContact O-N 3.47Å; K222-E225 WeakPolarHBondContact CD-OE2 3.31Å; K222-E225 IonicContact NZ-OE1 2.91Å; K222-E225 PolarHBondContact NZ-OE1 2.8Å; K222-E225 IonicContact NZ-OE2 2.74Å; K222-E225 PolarHBondContact NZ-OE2 3.41Å; K222-E225 PolarHBondContact O-N 3.28Å; K222-L226 WeakPolarHBondContact O-CG 3.3Å; K222-L226 PolarHBondContact O-N 2.62Å
223	V	93.4	Very high	90.3	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.012	26%	0.262	C	S	.	.	H	α-helix	trans	-69.3	-40.5	171.8	-176.9	0	0	0	0	110.2	V199 I201 V214 M218 P220 I221 E225 L226 A227 L248 L263	V199-V223 HydrophobicContact CG2-CG1 4.33Å; I201-V223 HydrophobicContact CD1-CG1 3.25Å; I201-V223 HydrophobicContact CG1-CG1 4.46Å; V214-V223 HydrophobicContact CG1-CG2 4.46Å; M218-V223 HydrophobicContact SD-CG2 4.27Å; P220-V223 WeakPolarHBondContact O-CA 3.36Å; P220-V223 VanDerWaalsContact O-CB 3.26Å; P220-V223 WeakPolarHBondContact O-CB 3.45Å; P220-V223 PolarHBondContact O-N 3.31Å; I221-V223 VanDerWaalsContact C-N 3.29Å; I221-V223 PolarHBondContact O-N 3.49Å; V223-E225 PolarHBondContact O-N 2.73Å; V223-L226 PolarHBondContact O-N 3.12Å; V223-A227 PolarHBondContact O-N 2.85Å; V223-L248 HydrophobicContact CB-CD1 4.13Å; V223-L248 HydrophobicContact CG1-CD1 4.09Å; V223-L248 HydrophobicContact CG1-CD2 4.35Å; V223-L263 HydrophobicContact CG2-CD1 3.66Å; V223-L263 HydrophobicContact CG2-CD2 4.16Å; V223-L263 HydrophobicContact CG2-CG 4.4Å
224	N	93.1	Very high	89.7	Confident	6 Å²	6	49.9 Å²	49.9	3%	0.032	25%	0.252	C	S	.	.	H	α-helix	trans	-59.5	-45.5	173.1	-61.7	-3.2	0	0	0	111.5	P220 I221 L226 A227 I228 P243 Y246 L248 L283	P220-N224 PolarHBondContact O-N 2.97Å; P220-N224 VanDerWaalsContact O-N 3.16Å; I221-N224 WeakPolarHBondContact O-CB 3.23Å; I221-N224 PolarHBondContact O-N 3.1Å; N224-L226 VanDerWaalsContact C-N 3.34Å; N224-L226 PolarHBondContact O-N 3.05Å; N224-A227 PolarHBondContact O-N 2.81Å; N224-I228 VanDerWaalsContact O-CG1 3.32Å; N224-I228 WeakPolarHBondContact O-CG1 3.49Å; N224-I228 PolarHBondContact O-N 3.26Å; N224-P243 HydrophobicContact CB-CB 4.03Å; N224-P243 PolarHBondContact ND2-O 3.26Å; N224-P243 VanDerWaalsContact ND2-O 3.16Å; N224-Y246 PolarHBondContact ND2-O 3.19Å; N224-L248 WeakPolarHBondContact OD1-CG 3.48Å; N224-L283 HydrophobicContact CB-CD1 4.43Å; N224-L283 WeakPolarHBondContact OD1-CD1 3.4Å
225	E	92.4	Very high	88.8	Confident	51 Å²	51	54.8 Å²	54.8	24%	0.238	27%	0.274	C	S	.	.	H	α-helix	trans	-54.9	-48	176.4	-73.3	173	-164.5	0	0	111.7	I221 K222 V223 Q229 P243	I221-E225 PolarHBondContact O-N 2.95Å; K222-E225 WeakPolarHBondContact CD-OE2 3.31Å; K222-E225 IonicContact NZ-OE1 2.91Å; K222-E225 PolarHBondContact NZ-OE1 2.8Å; K222-E225 IonicContact NZ-OE2 2.74Å; K222-E225 PolarHBondContact NZ-OE2 3.41Å; K222-E225 PolarHBondContact O-N 3.28Å; V223-E225 PolarHBondContact O-N 2.73Å; E225-Q229 WeakPolarHBondContact O-CB 3.32Å; E225-Q229 VanDerWaalsContact O-CG 3.22Å; E225-Q229 WeakPolarHBondContact O-CG 3.49Å; E225-Q229 PolarHBondContact O-N 3.15Å; E225-P243 HydrophobicContact CG-CB 3.77Å; E225-P243 HydrophobicContact CG-CG 3.78Å
226	L	92.5	Very high	87.7	Confident	58 Å²	58	54.9 Å²	54.9	30%	0.304	28%	0.281	S	S	.	.	H	α-helix	trans	-63.6	-43	178.7	-70.1	171.9	0	0	0	112.3	F212 V214 M218 K222 V223 N224 K230	F212-L226 HydrophobicContact CD1-CB 3.97Å; F212-L226 HydrophobicContact CE1-CB 4.09Å; F212-L226 WeakPolarHBondContact CE1-O 3.32Å; V214-L226 HydrophobicContact CG1-CD1 3.81Å; M218-L226 HydrophobicContact SD-CD1 4.42Å; K222-L226 WeakPolarHBondContact O-CG 3.3Å; K222-L226 PolarHBondContact O-N 2.62Å; V223-L226 PolarHBondContact O-N 3.12Å; N224-L226 VanDerWaalsContact C-N 3.34Å; N224-L226 PolarHBondContact O-N 3.05Å; L226-K230 WeakPolarHBondContact O-CB 2.95Å; L226-K230 PolarHBondContact O-N 3.46Å
227	A	90.5	Very high	86.3	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-62.6	-46.5	179.3	0	0	0	0	0	111.9	I201 F203 F212 V223 N224 K230 R231 L283	I201-A227 HydrophobicContact CD1-CB 4.09Å; I201-A227 HydrophobicContact CG2-CB 4.19Å; F203-A227 HydrophobicContact CZ-CB 4.25Å; F212-A227 HydrophobicContact CE2-CB 4.32Å; F212-A227 HydrophobicContact CZ-CB 4.27Å; V223-A227 PolarHBondContact O-N 2.85Å; N224-A227 PolarHBondContact O-N 2.81Å; A227-K230 PolarHBondContact O-N 2.98Å; A227-R231 PolarHBondContact O-N 2.78Å; A227-L283 HydrophobicContact CB-CD2 4.13Å
228	I	88.4	Confident	84.9	Confident	13 Å²	13	66.3 Å²	66.3	7%	0.067	33%	0.327	C	S	.	.	H	α-helix	trans	-66.6	-44.7	-179.9	-66.6	166.1	0	0	0	110.7	N224 K230 R231 L232 V241 P243 Y246 L283	N224-I228 VanDerWaalsContact O-CG1 3.32Å; N224-I228 WeakPolarHBondContact O-CG1 3.49Å; N224-I228 PolarHBondContact O-N 3.26Å; I228-K230 VanDerWaalsContact C-N 3.28Å; I228-K230 PolarHBondContact O-N 3.22Å; I228-R231 PolarHBondContact O-N 2.63Å; I228-L232 HydrophobicContact CG2-CD1 3.85Å; I228-L232 HydrophobicContact CG2-CG 4.28Å; I228-L232 WeakPolarHBondContact O-CG 3.37Å; I228-L232 PolarHBondContact O-N 3.14Å; I228-V241 HydrophobicContact CD1-CG1 4.48Å; I228-V241 HydrophobicContact CG2-CB 4.4Å; I228-P243 HydrophobicContact CD1-CB 4.08Å; I228-Y246 HydrophobicContact CD1-CD2 3.91Å; I228-Y246 HydrophobicContact CD1-CE2 4.38Å; I228-L283 HydrophobicContact CG1-CD2 4.19Å
229	Q	87.8	Confident	83.2	Confident	114 Å²	114	70.9 Å²	70.9	53%	0.533	35%	0.353	S	S	.	.	H	α-helix	trans	-57.3	-42.2	175.6	-75.4	174.5	8.7	0	0	112	E225 T233	E225-Q229 WeakPolarHBondContact O-CB 3.32Å; E225-Q229 VanDerWaalsContact O-CG 3.22Å; E225-Q229 WeakPolarHBondContact O-CG 3.49Å; E225-Q229 PolarHBondContact O-N 3.15Å; Q229-T233 WeakPolarHBondContact O-CB 3.49Å; Q229-T233 PolarHBondContact O-N 3.01Å; Q229-T233 PolarHBondContact O-OG1 3.23Å
230	K	86.9	Confident	81.8	Confident	96 Å²	96	78.8 Å²	78.8	42%	0.417	39%	0.388	S	S	.	.	H	α-helix	trans	-66	-43.2	177.9	-171.6	59.3	166	174.7	0	111.9	F210 F212 L226 A227 I228 T233 I234	F210-K230 HydrophobicContact CD1-CG 3.92Å; F210-K230 HydrophobicContact CE1-CG 4.43Å; F210-K230 HydrophobicContact CG-CG 4.25Å; F212-K230 HydrophobicContact CE1-CB 3.83Å; F212-K230 HydrophobicContact CE1-CG 4.17Å; F212-K230 HydrophobicContact CZ-CB 3.82Å; F212-K230 HydrophobicContact CZ-CG 4.09Å; L226-K230 WeakPolarHBondContact O-CB 2.95Å; L226-K230 PolarHBondContact O-N 3.46Å; A227-K230 PolarHBondContact O-N 2.98Å; I228-K230 VanDerWaalsContact C-N 3.28Å; I228-K230 PolarHBondContact O-N 3.22Å; K230-T233 PolarHBondContact O-N 3.23Å; K230-I234 HydrophobicContact CD-CD1 4.04Å; K230-I234 HydrophobicContact CG-CD1 4.07Å; K230-I234 WeakPolarHBondContact O-CG1 3.33Å; K230-I234 PolarHBondContact O-N 3.21Å
231	R	83.2	Confident	81	Confident	74 Å²	74	81 Å²	81	28%	0.279	40%	0.402	S	S	.	.	H	α-helix	trans	-61	-47.9	175.9	-178.9	178.5	169.3	-166.1	-5.9	111.8	F203 A227 I228 T233 I234 H235	F203-R231 HydrophobicContact CE1-CB 4.36Å; F203-R231 HydrophobicContact CE1-CG 4.45Å; F203-R231 HydrophobicContact CE2-CB 3.75Å; F203-R231 HydrophobicContact CE2-CG 4.19Å; F203-R231 HydrophobicContact CZ-CB 3.6Å; F203-R231 VanDerWaalsContact CZ-CD 3.46Å; F203-R231 HydrophobicContact CZ-CG 4.09Å; A227-R231 PolarHBondContact O-N 2.78Å; I228-R231 PolarHBondContact O-N 2.63Å; R231-T233 VanDerWaalsContact C-N 3.25Å; R231-T233 PolarHBondContact O-N 2.92Å; R231-I234 PolarHBondContact O-N 3Å; R231-I234 VanDerWaalsContact O-N 3.11Å; R231-H235 PolarHBondContact O-N 3Å
232	L	82.6	Confident	80.6	Confident	58 Å²	58	81 Å²	81	30%	0.304	41%	0.406	S	S	.	.	H	α-helix	trans	-62.3	-33.6	178.2	-69.7	171.3	0	0	0	112.3	I228 I234 G236	I228-L232 HydrophobicContact CG2-CD1 3.85Å; I228-L232 HydrophobicContact CG2-CG 4.28Å; I228-L232 WeakPolarHBondContact O-CG 3.37Å; I228-L232 PolarHBondContact O-N 3.14Å; L232-I234 VanDerWaalsContact C-N 3.34Å; L232-G236 CarbonylContact O-C 3.57Å; L232-G236 WeakPolarHBondContact O-CA 3.31Å; L232-G236 PolarHBondContact O-N 3.25Å
233	T	83.7	Confident	80.3	Confident	113 Å²	113	77.9 Å²	77.9	69%	0.693	40%	0.395	S	S	*	.	H	α-helix	trans	-68.3	-32.9	175.8	-56	0	0	0	0	112.3	Q229 K230 R231	Q229-T233 WeakPolarHBondContact O-CB 3.49Å; Q229-T233 PolarHBondContact O-N 3.01Å; Q229-T233 PolarHBondContact O-OG1 3.23Å; K230-T233 PolarHBondContact O-N 3.23Å; R231-T233 VanDerWaalsContact C-N 3.25Å; R231-T233 PolarHBondContact O-N 2.92Å
234	I	80.7	Confident	79.9	Confident	83 Å²	83	85.2 Å²	85.2	43%	0.426	42%	0.423	S	S	.	.	H	α-helix	trans	-92.1	-42.7	-173.9	-67.1	171.7	0	0	0	112.2	F210 K230 R231 L232	F210-I234 HydrophobicContact CD1-CD1 4.07Å; F210-I234 HydrophobicContact CE1-CD1 3.36Å; F210-I234 HydrophobicContact CZ-CD1 4.12Å; K230-I234 HydrophobicContact CD-CD1 4.04Å; K230-I234 HydrophobicContact CG-CD1 4.07Å; K230-I234 WeakPolarHBondContact O-CG1 3.33Å; K230-I234 PolarHBondContact O-N 3.21Å; R231-I234 PolarHBondContact O-N 3Å; R231-I234 VanDerWaalsContact O-N 3.11Å; L232-I234 VanDerWaalsContact C-N 3.34Å
235	H	73.9	Confident	79.7	Confident	107 Å²	107	88.7 Å²	88.7	50%	0.495	44%	0.442	S	S	.	.	H	α-helix	trans	-103	-2.1	-173	-59.5	-78.4	0	0	0	113.9	D208 R231	D208-H235 IonicContact OD2-CE1 3.92Å; D208-H235 IonicContact OD2-NE2 2.8Å; R231-H235 PolarHBondContact O-N 3Å
236	G	67	Low	79.6	Confident	38 Å²	38	87.1 Å²	87.1	39%	0.392	43%	0.434	S	S	.	.			trans	93.1	169.1	-179.2	0	0	0	0	0	113.7	L232 E238	L232-G236 CarbonylContact O-C 3.57Å; L232-G236 WeakPolarHBondContact O-CA 3.31Å; L232-G236 PolarHBondContact O-N 3.25Å; G236-E238 PolarHBondContact O-N 3.45Å
237	K	60.2	Low	79.6	Confident	203 Å²	203	84.5 Å²	84.5	88%	0.883	42%	0.42	S	S	*	.			trans	-77	97.3	176.3	-73.8	-173.8	175.5	-173.2	0	110.1
238	E	59.4	Low	79.7	Confident	146 Å²	146	84.6 Å²	84.6	68%	0.682	42%	0.42	S	S	*	.			trans	-80	172.8	147	-71.5	-179	156.9	0	0	108.8	G236	G236-E238 PolarHBondContact O-N 3.45Å
239	D	58	Low	79.9	Confident	149 Å²	149	85.2 Å²	85.2	80%	0.797	42%	0.423	S	S	*	.	S	Bend	trans	-40.4	156.2	-173.4	-68.3	-46.5	0	0	0	114.9	V241	D239-V241 WeakPolarHBondContact O-CG2 3.46Å; D239-V241 PolarHBondContact O-N 3.45Å
240	E	62.7	Low	80	Confident	207 Å²	207	79.8 Å²	79.8	97%	0.967	40%	0.398	S	S	*	.			trans	-57	98.3	176.5	-83.8	-173.4	156	0	0	111.5
241	V	78	Confident	79.9	Confident	51 Å²	51	75.4 Å²	75.4	31%	0.309	38%	0.379	S	S	.	.			trans	-88.8	123.6	179.6	-175	0	0	0	0	110.4	I228 D239 Y246	I228-V241 HydrophobicContact CD1-CG1 4.48Å; I228-V241 HydrophobicContact CG2-CB 4.4Å; D239-V241 WeakPolarHBondContact O-CG2 3.46Å; D239-V241 PolarHBondContact O-N 3.45Å; V241-Y246 HydrophobicContact CG1-CD2 4.13Å; V241-Y246 HydrophobicContact CG1-CE2 3.22Å
242	S	85.2	Confident	79.6	Confident	41 Å²	41	72.6 Å²	72.6	29%	0.287	37%	0.373	S	S	.	.			trans	-80.3	137.2	178.1	-177.8	0	0	0	0	111.9	Y244 D245	S242-Y244 PolarHBondContact O-N 3.46Å; S242-Y244 VanDerWaalsContact O-N 3.17Å; S242-Y244 WeakPolarHBondContact OG-CD2 3.33Å; S242-Y244 PolarHBondContact OG-N 3.14Å; S242-D245 WeakPolarHBondContact CB-OD2 3.22Å; S242-D245 WeakPolarHBondContact O-CB 3.41Å; S242-D245 PolarHBondContact O-N 3.01Å
243	P	86.1	Confident	79.8	Confident	26 Å²	26	73.3 Å²	73.3	17%	0.169	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-63.9	-18.5	173.1	29.1	-36.7	0	0	0	113.4	I221 N224 E225 I228 D245	I221-P243 HydrophobicContact CD1-CB 3.99Å; I221-P243 HydrophobicContact CD1-CG 4.43Å; I221-P243 WeakPolarHBondContact CD1-O 3.39Å; N224-P243 HydrophobicContact CB-CB 4.03Å; N224-P243 PolarHBondContact ND2-O 3.26Å; N224-P243 VanDerWaalsContact ND2-O 3.16Å; E225-P243 HydrophobicContact CG-CB 3.77Å; E225-P243 HydrophobicContact CG-CG 3.78Å; I228-P243 HydrophobicContact CD1-CB 4.08Å; P243-D245 VanDerWaalsContact C-N 3.29Å
244	Y	86.4	Confident	80	Confident	155 Å²	155	68.7 Å²	68.7	61%	0.608	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-77.6	-13.4	175.8	-63.8	-83.1	0	0	0	113.3	I221 S242 Y246	I221-Y244 HydrophobicContact CD1-CD1 3.75Å; I221-Y244 HydrophobicContact CD1-CE1 3.9Å; I221-Y244 HydrophobicContact CD1-CG 4.1Å; I221-Y244 HydrophobicContact CG1-CD1 4.34Å; I221-Y244 HydrophobicContact CG1-CE1 3.95Å; S242-Y244 PolarHBondContact O-N 3.46Å; S242-Y244 VanDerWaalsContact O-N 3.17Å; S242-Y244 WeakPolarHBondContact OG-CD2 3.33Å; S242-Y244 PolarHBondContact OG-N 3.14Å; Y244-Y246 PolarHBondContact O-N 3.09Å
245	D	88	Confident	80.5	Confident	80 Å²	80	65.4 Å²	65.4	43%	0.428	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-84.1	2.3	175.6	-65.4	-36.3	0	0	0	112.6	S242 P243 C286	S242-D245 WeakPolarHBondContact CB-OD2 3.22Å; S242-D245 WeakPolarHBondContact O-CB 3.41Å; S242-D245 PolarHBondContact O-N 3.01Å; P243-D245 VanDerWaalsContact C-N 3.29Å; D245-C286 WeakPolarHBondContact O-CB 3.38Å; D245-C286 PolarHBondContact O-N 3.43Å; D245-C286 PolarHBondContact O-SG 2.99Å
246	Y	89.9	Confident	81.3	Confident	18 Å²	18	60.8 Å²	60.8	7%	0.071	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	152.5	-178.6	-69.5	-94.8	0	0	0	112.6	N224 I228 V241 Y244 L283 V284 E285	N224-Y246 PolarHBondContact ND2-O 3.19Å; I228-Y246 HydrophobicContact CD1-CD2 3.91Å; I228-Y246 HydrophobicContact CD1-CE2 4.38Å; V241-Y246 HydrophobicContact CG1-CD2 4.13Å; V241-Y246 HydrophobicContact CG1-CE2 3.22Å; Y244-Y246 PolarHBondContact O-N 3.09Å; Y246-L283 HydrophobicContact CD1-CD2 3.75Å; Y246-L283 HydrophobicContact CD1-CG 3.71Å; Y246-L283 HydrophobicContact CE1-CD2 4.41Å; Y246-L283 HydrophobicContact CG-CD2 3.95Å; Y246-L283 HydrophobicContact CG-CG 4.06Å; Y246-V284 VanDerWaalsContact CA-O 3.3Å; Y246-V284 WeakPolarHBondContact CA-O 3.42Å; Y246-E285 HydrophobicContact CD1-CG 3.94Å; Y246-E285 HydrophobicContact CE1-CB 4.34Å; Y246-E285 HydrophobicContact CE1-CG 3.22Å; Y246-E285 HydrophobicContact CE2-CG 4.41Å; Y246-E285 PolarHBondContact OH-OE1 3.09Å
247	V	92.1	Very high	82.5	Confident	3 Å²	3	59.1 Å²	59.1	2%	0.018	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	149.6	170.6	71.7	0	0	0	0	110.8	Y256 F258 V284 I289	V247-Y256 HydrophobicContact CG1-CD1 3.8Å; V247-Y256 HydrophobicContact CG1-CE1 4.2Å; V247-Y256 HydrophobicContact CG2-CD1 4.39Å; V247-F258 HydrophobicContact CG2-CB 3.76Å; V247-F258 HydrophobicContact CG2-CD1 4.06Å; V247-F258 HydrophobicContact CG2-CG 4.2Å; V247-V284 HydrophobicContact CG1-CB 4.21Å; V247-V284 PolarHBondContact N-O 3.26Å; V247-V284 PolarHBondContact O-N 2.9Å; V247-I289 HydrophobicContact CB-CD1 4.4Å; V247-I289 HydrophobicContact CG1-CD1 3.23Å
248	L	93.2	Very high	84	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	120.4	172.2	-64.3	168	0	0	0	109.1	I201 P220 V223 N224 Y256 V257 F281 L283	I201-L248 HydrophobicContact CD1-CD2 4.44Å; P220-L248 HydrophobicContact CB-CD1 4.13Å; V223-L248 HydrophobicContact CB-CD1 4.13Å; V223-L248 HydrophobicContact CG1-CD1 4.09Å; V223-L248 HydrophobicContact CG1-CD2 4.35Å; N224-L248 WeakPolarHBondContact OD1-CG 3.48Å; L248-Y256 CarbonylContact O-C 3.53Å; L248-Y256 WeakPolarHBondContact O-CA 3.48Å; L248-V257 HydrophobicContact CB-CB 4.17Å; L248-V257 HydrophobicContact CD1-CG1 4.5Å; L248-V257 PolarHBondContact O-N 2.92Å; L248-F281 HydrophobicContact CB-CD1 4.03Å; L248-F281 HydrophobicContact CB-CG 4.37Å; L248-F281 HydrophobicContact CD2-CB 3.9Å; L248-F281 HydrophobicContact CD2-CG 4.21Å; L248-L283 HydrophobicContact CD2-CD1 3.62Å; L248-L283 HydrophobicContact CG-CD1 4.34Å
249	Q	92	Very high	85.4	Confident	27 Å²	27	45.4 Å²	45.4	13%	0.126	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	135.5	167.6	-175.9	-175.7	7.1	0	0	108.7	S251 R253 E255 Y256 F281 I282 V284	Q249-S251 PolarHBondContact O-N 2.69Å; Q249-R253 WeakPolarHBondContact CG-O 3.47Å; Q249-R253 PolarHBondContact NE2-O 3.33Å; Q249-E255 CarbonylContact C-O 3.57Å; Q249-E255 WeakPolarHBondContact CA-O 3.4Å; Q249-Y256 HydrophobicContact CB-CD1 3.9Å; Q249-Y256 HydrophobicContact CB-CE1 3.92Å; Q249-Y256 HydrophobicContact CG-CD1 4.12Å; Q249-Y256 HydrophobicContact CG-CE1 3.9Å; Q249-F281 CarbonylContact O-C 3.53Å; Q249-F281 VanDerWaalsContact O-CA 3.28Å; Q249-F281 WeakPolarHBondContact O-CA 3.32Å; Q249-I282 HydrophobicContact CB-CB 4.36Å; Q249-I282 PolarHBondContact N-O 2.88Å; Q249-I282 PolarHBondContact O-N 3.48Å; Q249-V284 HydrophobicContact CB-CG2 3.66Å; Q249-V284 VanDerWaalsContact OE1-CG2 3.25Å
250	V	90.1	Very high	86.9	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	130.6	172	177.6	0	0	0	0	109	G252 R253 E255 V257 Y268 F281	V250-G252 PolarHBondContact O-N 3.29Å; V250-R253 HydrophobicContact CB-CB 4.22Å; V250-R253 HydrophobicContact CG1-CB 4.24Å; V250-R253 HydrophobicContact CG1-CG 4.24Å; V250-R253 PolarHBondContact O-N 2.92Å; V250-R253 VanDerWaalsContact O-N 3.12Å; V250-R253 VanDerWaalsContact O-O 3.04Å; V250-E255 HydrophobicContact CB-CB 4.11Å; V250-E255 HydrophobicContact CG2-CB 4.08Å; V250-E255 HydrophobicContact CG2-CG 3.97Å; V250-E255 PolarHBondContact N-O 3.37Å; V250-V257 HydrophobicContact CG2-CG2 4.31Å; V250-Y268 HydrophobicContact CG1-CD1 4.15Å; V250-Y268 HydrophobicContact CG1-CD2 3.75Å; V250-Y268 HydrophobicContact CG1-CE1 3.86Å; V250-Y268 HydrophobicContact CG1-CE2 3.44Å; V250-Y268 VanDerWaalsContact CG1-CE2 3.44Å; V250-Y268 HydrophobicContact CG1-CG 4.1Å; V250-Y268 VanDerWaalsContact CG1-CZ 3.5Å; V250-Y268 HydrophobicContact CG2-CD1 3.66Å; V250-Y268 HydrophobicContact CG2-CD2 4.27Å; V250-Y268 HydrophobicContact CG2-CE1 4.03Å; V250-Y268 HydrophobicContact CG2-CG 3.79Å; V250-F281 HydrophobicContact CG2-CD1 4.34Å; V250-F281 HydrophobicContact CG2-CE1 3.94Å
251	S	84.8	Confident	88.3	Confident	4 Å²	4	38.3 Å²	38.3	3%	0.028	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	132.6	-179.9	-173.3	0	0	0	0	111.8	Q249 R253 H280 V794	Q249-S251 PolarHBondContact O-N 2.69Å; S251-R253 PolarHBondContact O-N 3.37Å; S251-H280 WeakPolarHBondContact CB-O 3.3Å; S251-H280 PolarHBondContact N-O 3.12Å; S251-V794 WeakPolarHBondContact OG-CG1 3.29Å
252	G	78.2	Confident	88.9	Confident	15 Å²	15	37.4 Å²	37.4	16%	0.155	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	0.8	179.3	0	0	0	0	0	115.8	V250	V250-G252 PolarHBondContact O-N 3.29Å
253	R	86.1	Confident	89.2	Confident	73 Å²	73	35.5 Å²	35.5	28%	0.275	19%	0.185	S	C	.	.	B	Isolated β-bridge	trans	-128.6	148.5	-176.5	-59.2	-177.1	-171.9	-168.8	-1.4	112.4	Q249 V250 S251 E255 C765	Q249-R253 WeakPolarHBondContact CG-O 3.47Å; Q249-R253 PolarHBondContact NE2-O 3.33Å; V250-R253 HydrophobicContact CB-CB 4.22Å; V250-R253 HydrophobicContact CG1-CB 4.24Å; V250-R253 HydrophobicContact CG1-CG 4.24Å; V250-R253 PolarHBondContact O-N 2.92Å; V250-R253 VanDerWaalsContact O-N 3.12Å; V250-R253 VanDerWaalsContact O-O 3.04Å; S251-R253 PolarHBondContact O-N 3.37Å; R253-E255 HydrophobicContact CB-CB 3.94Å; R253-E255 WeakPolarHBondContact CD-OE2 3.29Å; R253-E255 IonicContact NH1-OE2 2.96Å; R253-E255 PolarHBondContact O-N 2.95Å; R253-C765 CarbonylContact C-O 3.56Å; R253-C765 WeakPolarHBondContact CA-O 3.41Å; R253-C765 VanDerWaalsContact CB-O 3.27Å; R253-C765 WeakPolarHBondContact CB-O 3.46Å
254	V	87.6	Confident	89.3	Confident	15 Å²	15	34.2 Å²	34.2	9%	0.091	18%	0.177	C	C	.	.	S	Bend	trans	-83.5	53.9	165.8	-68.1	0	0	0	0	110.4	Y176 Q759 P764 C765 I767	Y176-V254 HydrophobicContact CD1-CB 4.31Å; Y176-V254 HydrophobicContact CD1-CG2 4.33Å; Y176-V254 VanDerWaalsContact CD1-O 3.26Å; Y176-V254 WeakPolarHBondContact CD1-O 3.45Å; Y176-V254 HydrophobicContact CE1-CB 3.87Å; Y176-V254 HydrophobicContact CE1-CG2 3.77Å; V254-Q759 HydrophobicContact CG2-CG 4.46Å; V254-P764 WeakPolarHBondContact CG2-O 3.33Å; V254-C765 PolarHBondContact N-O 2.62Å; V254-I767 HydrophobicContact CG1-CD1 3.76Å; V254-I767 HydrophobicContact CG1-CG1 4.18Å
255	E	90.7	Very high	89.4	Confident	15 Å²	15	28.8 Å²	28.8	7%	0.07	16%	0.157	C	C	.	.			trans	-122.6	130.1	-179.1	-175.8	-179.2	168.1	0	0	107.8	Q249 V250 R253 Y268 C765	Q249-E255 CarbonylContact C-O 3.57Å; Q249-E255 WeakPolarHBondContact CA-O 3.4Å; V250-E255 HydrophobicContact CB-CB 4.11Å; V250-E255 HydrophobicContact CG2-CB 4.08Å; V250-E255 HydrophobicContact CG2-CG 3.97Å; V250-E255 PolarHBondContact N-O 3.37Å; R253-E255 HydrophobicContact CB-CB 3.94Å; R253-E255 WeakPolarHBondContact CD-OE2 3.29Å; R253-E255 IonicContact NH1-OE2 2.96Å; R253-E255 PolarHBondContact O-N 2.95Å; E255-Y268 WeakPolarHBondContact OE1-CB 3.49Å; E255-C765 HydrophobicContact CB-CB 4.22Å
256	Y	92	Very high	89.5	Confident	10 Å²	10	25.1 Å²	25.1	4%	0.039	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	140.2	-172.3	-60.7	-93.4	0	0	0	110.6	L172 Y176 V247 L248 Q249 I289	L172-Y256 HydrophobicContact CD1-CD2 3.96Å; L172-Y256 HydrophobicContact CD1-CE2 4.07Å; L172-Y256 HydrophobicContact CD1-CG 4.3Å; Y176-Y256 AromaticContact CD2-CD2 3.95Å; Y176-Y256 HydrophobicContact CD2-CD2 3.95Å; Y176-Y256 AromaticContact CD2-CE2 3.45Å; Y176-Y256 HydrophobicContact CD2-CE2 3.45Å; Y176-Y256 VanDerWaalsContact CD2-CE2 3.45Å; Y176-Y256 HydrophobicContact CE2-CE2 4.03Å; Y176-Y256 AromaticContact CG-CD2 3.94Å; Y176-Y256 HydrophobicContact CG-CD2 3.94Å; Y176-Y256 AromaticContact CG-CE2 3.8Å; Y176-Y256 HydrophobicContact CG-CE2 3.8Å; V247-Y256 HydrophobicContact CG1-CD1 3.8Å; V247-Y256 HydrophobicContact CG1-CE1 4.2Å; V247-Y256 HydrophobicContact CG2-CD1 4.39Å; L248-Y256 CarbonylContact O-C 3.53Å; L248-Y256 WeakPolarHBondContact O-CA 3.48Å; Q249-Y256 HydrophobicContact CB-CD1 3.9Å; Q249-Y256 HydrophobicContact CB-CE1 3.92Å; Q249-Y256 HydrophobicContact CG-CD1 4.12Å; Q249-Y256 HydrophobicContact CG-CE1 3.9Å; Y256-I289 HydrophobicContact CD1-CD1 4.39Å; Y256-I289 HydrophobicContact CE1-CD1 3.95Å
257	V	92.9	Very high	89.4	Confident	3 Å²	3	27 Å²	27	2%	0.018	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	105.6	179.6	174.4	0	0	0	0	108.7	P220 L248 V250 L263 F266 I269 F281	P220-V257 HydrophobicContact CB-CG1 4.26Å; P220-V257 HydrophobicContact CG-CG1 3.76Å; L248-V257 HydrophobicContact CB-CB 4.17Å; L248-V257 HydrophobicContact CD1-CG1 4.5Å; L248-V257 PolarHBondContact O-N 2.92Å; V250-V257 HydrophobicContact CG2-CG2 4.31Å; V257-L263 HydrophobicContact CG1-CD2 4.41Å; V257-F266 HydrophobicContact CB-CD1 4.39Å; V257-F266 HydrophobicContact CG1-CD1 3.86Å; V257-F266 HydrophobicContact CG1-CD2 3.85Å; V257-F266 HydrophobicContact CG1-CE1 3.94Å; V257-F266 HydrophobicContact CG1-CE2 3.92Å; V257-F266 HydrophobicContact CG1-CG 3.81Å; V257-F266 HydrophobicContact CG1-CZ 3.96Å; V257-F266 HydrophobicContact CG2-CD1 4.26Å; V257-F266 HydrophobicContact CG2-CG 4.42Å; V257-I269 HydrophobicContact CG1-CD1 4.3Å; V257-F281 HydrophobicContact CB-CE1 4.22Å; V257-F281 HydrophobicContact CG2-CE1 3.75Å; V257-F281 HydrophobicContact CG2-CZ 4.36Å
258	F	91.5	Very high	89.3	Confident	17 Å²	17	27.4 Å²	27.4	8%	0.075	15%	0.148	C	C	.	.			trans	-156.3	167.1	-177	64.6	-86.1	0	0	0	111.1	L172 K173 P178 V247 F266	L172-F258 HydrophobicContact CB-CZ 4.26Å; L172-F258 HydrophobicContact CD2-CD1 3.96Å; L172-F258 HydrophobicContact CD2-CE1 3.54Å; L172-F258 HydrophobicContact CD2-CE2 4.34Å; L172-F258 HydrophobicContact CD2-CZ 3.76Å; L172-F258 HydrophobicContact CG-CE1 3.76Å; L172-F258 HydrophobicContact CG-CZ 3.75Å; K173-F258 HydrophobicContact CG-CE2 3.58Å; K173-F258 HydrophobicContact CG-CZ 3.91Å; P178-F258 HydrophobicContact CG-CD1 3.92Å; P178-F258 HydrophobicContact CG-CD2 4.48Å; P178-F258 HydrophobicContact CG-CE1 3.55Å; P178-F258 HydrophobicContact CG-CE2 4.16Å; P178-F258 HydrophobicContact CG-CG 4.37Å; P178-F258 HydrophobicContact CG-CZ 3.68Å; V247-F258 HydrophobicContact CG2-CB 3.76Å; V247-F258 HydrophobicContact CG2-CD1 4.06Å; V247-F258 HydrophobicContact CG2-CG 4.2Å; F258-F266 WeakPolarHBondContact O-CE1 3.36Å; F258-F266 WeakPolarHBondContact O-CZ 3.38Å
259	G	88.9	Confident	89.2	Confident	43 Å²	43	27.4 Å²	27.4	44%	0.443	15%	0.148	S	C	.	.	S	Bend	trans	106.6	178.6	-178	0	0	0	0	0	113.1	H261	G259-H261 VanDerWaalsContact C-N 3.28Å; G259-H261 PolarHBondContact O-N 3.11Å
260	D	89.6	Confident	88.9	Confident	134 Å²	134	26.4 Å²	26.4	72%	0.717	14%	0.143	S	C	*	.	S	Bend	trans	-94	55.6	-175.8	-163.3	33.4	0	0	0	111.1	N219	N219-D260 PolarHBondContact ND2-OD1 2.95Å
261	H	90.6	Very high	88.6	Confident	73 Å²	73	29.5 Å²	29.5	34%	0.338	16%	0.16	S	C	.	.	S	Bend	trans	-127	145.4	-178.8	-65.3	-81	0	0	0	110.9	H180 N219 P220 G259 Q265 F266	H180-H261 AromaticContact CD2-CD2 3.92Å; H180-H261 AromaticContact CD2-CG 3.76Å; H180-H261 AromaticContact NE2-CD2 3.34Å; H180-H261 PolarHBondContact NE2-CD2 3.46Å; H180-H261 VanDerWaalsContact NE2-CD2 3.34Å; H180-H261 AromaticContact NE2-CG 3.64Å; H180-H261 AromaticContact NE2-NE2 3.93Å; N219-H261 PolarHBondContact OD1-O 3.14Å; P220-H261 VanDerWaalsContact CD-O 3.25Å; P220-H261 WeakPolarHBondContact CD-O 3.43Å; G259-H261 VanDerWaalsContact C-N 3.28Å; G259-H261 PolarHBondContact O-N 3.11Å; H261-Q265 PolarHBondContact ND1-OE1 3.46Å; H261-F266 HydrophobicContact CB-CE2 3.94Å; H261-F266 HydrophobicContact CB-CZ 3.93Å
262	P	91.1	Very high	88.7	Confident	32 Å²	32	29.5 Å²	29.5	21%	0.208	16%	0.16	C	C	.	.			trans	-52.8	137.7	168.4	-29.6	36.4	0	0	0	112.9	I264 Q265 F266	P262-I264 HydrophobicContact CB-CG2 4.26Å; P262-I264 PolarHBondContact O-N 3.42Å; P262-I264 VanDerWaalsContact O-N 3.1Å; P262-Q265 HydrophobicContact CB-CG 4.22Å; P262-Q265 HydrophobicContact CG-CG 4.42Å; P262-Q265 WeakPolarHBondContact O-CB 3.39Å; P262-Q265 PolarHBondContact O-N 2.88Å; P262-F266 WeakPolarHBondContact O-CD2 3.41Å
263	L	91.7	Very high	89.1	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.005	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-49.5	-39.2	175.6	-76.7	168.8	0	0	0	112.6	L197 V214 P216 M218 P220 V223 V257 Q265 F266 I269	L197-L263 HydrophobicContact CD2-CB 4.48Å; L197-L263 HydrophobicContact CD2-CD1 4.35Å; V214-L263 HydrophobicContact CG2-CD1 3.78Å; P216-L263 PolarHBondContact O-N 3.42Å; M218-L263 HydrophobicContact CB-CD1 4.2Å; M218-L263 VanDerWaalsContact O-CG 3.27Å; M218-L263 WeakPolarHBondContact O-CG 3.4Å; M218-L263 PolarHBondContact O-N 2.97Å; P220-L263 HydrophobicContact CG-CD2 4.26Å; V223-L263 HydrophobicContact CG2-CD1 3.66Å; V223-L263 HydrophobicContact CG2-CD2 4.16Å; V223-L263 HydrophobicContact CG2-CG 4.4Å; V257-L263 HydrophobicContact CG1-CD2 4.41Å; L263-Q265 PolarHBondContact O-N 2.71Å; L263-F266 WeakPolarHBondContact O-CD2 2.81Å; L263-F266 PolarHBondContact O-N 2.8Å; L263-I269 HydrophobicContact CB-CD1 3.81Å; L263-I269 HydrophobicContact CD2-CD1 3.43Å; L263-I269 VanDerWaalsContact CD2-CD1 3.43Å; L263-I269 HydrophobicContact CG-CD1 4.17Å; L263-I269 VanDerWaalsContact O-CB 3.31Å; L263-I269 WeakPolarHBondContact O-CB 3.46Å; L263-I269 VanDerWaalsContact O-CD1 3.25Å; L263-I269 WeakPolarHBondContact O-CD1 3.35Å; L263-I269 WeakPolarHBondContact O-CG2 3.48Å
264	I	88.3	Confident	88.7	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-71.1	-15.3	-177.9	-160.3	58.7	0	0	0	115	I184 L188 P216 P262 F266 I269 R270 V273	I184-I264 HydrophobicContact CD1-CG2 4.29Å; I184-I264 HydrophobicContact CG1-CG2 4.44Å; L188-I264 HydrophobicContact CD1-CD1 3.86Å; L188-I264 HydrophobicContact CD1-CG1 3.67Å; L188-I264 HydrophobicContact CD2-CD1 3.84Å; L188-I264 HydrophobicContact CD2-CG1 3.64Å; L188-I264 HydrophobicContact CG-CD1 4.33Å; L188-I264 HydrophobicContact CG-CG1 4.28Å; P216-I264 HydrophobicContact CB-CB 4.07Å; P216-I264 PolarHBondContact O-N 3.17Å; P262-I264 HydrophobicContact CB-CG2 4.26Å; P262-I264 PolarHBondContact O-N 3.42Å; P262-I264 VanDerWaalsContact O-N 3.1Å; I264-F266 VanDerWaalsContact C-N 3.33Å; I264-I269 HydrophobicContact CD1-CG2 4.46Å; I264-R270 PolarHBondContact O-NE 2.98Å; I264-R270 VanDerWaalsContact O-NE 3.08Å; I264-R270 PolarHBondContact O-NH2 3.47Å; I264-V273 HydrophobicContact CD1-CB 4.22Å; I264-V273 HydrophobicContact CD1-CG1 4.44Å; I264-V273 HydrophobicContact CD1-CG2 3.81Å
265	Q	88.5	Confident	88.2	Confident	40 Å²	40	30 Å²	30	19%	0.187	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-76.5	-24.1	173.4	-72.1	-175.4	-12.6	0	0	111.5	H180 E181 H261 P262 L263 Q267	H180-Q265 CarbonylContact C-O 3.49Å; H180-Q265 WeakPolarHBondContact CA-O 3.33Å; E181-Q265 PolarHBondContact N-O 3.25Å; H261-Q265 PolarHBondContact ND1-OE1 3.46Å; P262-Q265 HydrophobicContact CB-CG 4.22Å; P262-Q265 HydrophobicContact CG-CG 4.42Å; P262-Q265 WeakPolarHBondContact O-CB 3.39Å; P262-Q265 PolarHBondContact O-N 2.88Å; L263-Q265 PolarHBondContact O-N 2.71Å; Q265-Q267 PolarHBondContact O-N 3.2Å
266	F	90.6	Very high	87.6	Confident	3 Å²	3	36.6 Å²	36.6	1%	0.013	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-70.8	126.4	178.2	-63.7	-88.8	0	0	0	110.7	P178 E179 H180 P220 V257 F258 H261 P262 L263 I264 Y268 I269 R270	P178-F266 HydrophobicContact CB-CD1 3.95Å; P178-F266 HydrophobicContact CB-CE1 3.66Å; P178-F266 HydrophobicContact CG-CE1 4.47Å; E179-F266 VanDerWaalsContact O-CA 3.32Å; E179-F266 WeakPolarHBondContact O-CA 3.3Å; H180-F266 AromaticContact NE2-CE1 3.49Å; H180-F266 WeakPolarHBondContact NE2-CE1 2.95Å; H180-F266 AromaticContact NE2-CZ 3.93Å; P220-F266 HydrophobicContact CG-CE2 3.67Å; P220-F266 HydrophobicContact CG-CZ 3.78Å; V257-F266 HydrophobicContact CB-CD1 4.39Å; V257-F266 HydrophobicContact CG1-CD1 3.86Å; V257-F266 HydrophobicContact CG1-CD2 3.85Å; V257-F266 HydrophobicContact CG1-CE1 3.94Å; V257-F266 HydrophobicContact CG1-CE2 3.92Å; V257-F266 HydrophobicContact CG1-CG 3.81Å; V257-F266 HydrophobicContact CG1-CZ 3.96Å; V257-F266 HydrophobicContact CG2-CD1 4.26Å; V257-F266 HydrophobicContact CG2-CG 4.42Å; F258-F266 WeakPolarHBondContact O-CE1 3.36Å; F258-F266 WeakPolarHBondContact O-CZ 3.38Å; H261-F266 HydrophobicContact CB-CE2 3.94Å; H261-F266 HydrophobicContact CB-CZ 3.93Å; P262-F266 WeakPolarHBondContact O-CD2 3.41Å; L263-F266 WeakPolarHBondContact O-CD2 2.81Å; L263-F266 PolarHBondContact O-N 2.8Å; I264-F266 VanDerWaalsContact C-N 3.33Å; F266-Y268 VanDerWaalsContact C-N 3.29Å; F266-Y268 PolarHBondContact O-N 3.24Å; F266-I269 HydrophobicContact CB-CB 4.48Å; F266-I269 HydrophobicContact CB-CD1 4.19Å; F266-I269 HydrophobicContact CB-CG1 4.36Å; F266-I269 HydrophobicContact CD2-CD1 4.45Å; F266-I269 PolarHBondContact O-N 3.08Å; F266-R270 PolarHBondContact O-N 3.21Å
267	Q	87.6	Confident	87.2	Confident	57 Å²	57	39.8 Å²	39.8	27%	0.266	21%	0.209	S	C	.	.	H	α-helix	trans	-57.8	-40	-172.4	-168.5	-177.6	22.3	0	0	112.7	E179 Q265 R270 N271	E179-Q267 HydrophobicContact CB-CB 3.72Å; E179-Q267 PolarHBondContact O-N 2.94Å; E179-Q267 PolarHBondContact OE1-OE1 3.33Å; E179-Q267 PolarHBondContact OE2-OE1 3.31Å; Q265-Q267 PolarHBondContact O-N 3.2Å; Q267-R270 PolarHBondContact O-N 3Å; Q267-N271 WeakPolarHBondContact O-CB 3.26Å; Q267-N271 VanDerWaalsContact O-CG 3.25Å; Q267-N271 PolarHBondContact O-N 3.04Å; Q267-N271 PolarHBondContact O-ND2 2.96Å
268	Y	89.6	Confident	86.9	Confident	13 Å²	13	42.8 Å²	42.8	5%	0.051	22%	0.224	C	C	.	.	H	α-helix	trans	-57.1	-51	174.8	173.8	-107	0	0	0	112.3	V250 E255 F266 R270 N271 C272 P279 H280 F281	V250-Y268 HydrophobicContact CG1-CD1 4.15Å; V250-Y268 HydrophobicContact CG1-CD2 3.75Å; V250-Y268 HydrophobicContact CG1-CE1 3.86Å; V250-Y268 HydrophobicContact CG1-CE2 3.44Å; V250-Y268 VanDerWaalsContact CG1-CE2 3.44Å; V250-Y268 HydrophobicContact CG1-CG 4.1Å; V250-Y268 VanDerWaalsContact CG1-CZ 3.5Å; V250-Y268 HydrophobicContact CG2-CD1 3.66Å; V250-Y268 HydrophobicContact CG2-CD2 4.27Å; V250-Y268 HydrophobicContact CG2-CE1 4.03Å; V250-Y268 HydrophobicContact CG2-CG 3.79Å; E255-Y268 WeakPolarHBondContact OE1-CB 3.49Å; F266-Y268 VanDerWaalsContact C-N 3.29Å; F266-Y268 PolarHBondContact O-N 3.24Å; Y268-R270 VanDerWaalsContact C-N 3.31Å; Y268-R270 PolarHBondContact O-N 3.04Å; Y268-N271 PolarHBondContact O-N 3.46Å; Y268-C272 PolarHBondContact O-N 3.29Å; Y268-C272 PolarHBondContact O-SG 3.05Å; Y268-C272 VanDerWaalsContact O-SG 3.37Å; Y268-P279 HydrophobicContact CE1-CB 3.96Å; Y268-H280 PolarHBondContact OH-N 3.43Å; Y268-F281 AromaticContact CD1-CE1 3.88Å; Y268-F281 HydrophobicContact CD1-CE1 3.88Å; Y268-F281 AromaticContact CD1-CZ 3.82Å; Y268-F281 HydrophobicContact CD1-CZ 3.82Å; Y268-F281 AromaticContact CE1-CE1 3.89Å; Y268-F281 HydrophobicContact CE1-CE1 3.89Å; Y268-F281 HydrophobicContact CE1-CE2 4.47Å; Y268-F281 AromaticContact CE1-CZ 3.79Å; Y268-F281 HydrophobicContact CE1-CZ 3.79Å
269	I	90.2	Very high	86.9	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.8	-42	-178.4	-65.8	175.9	0	0	0	110.2	L197 V257 L263 I264 F266 C272 V273 F281	L197-I269 HydrophobicContact CD1-CG2 4.35Å; L197-I269 HydrophobicContact CD2-CG2 3.66Å; V257-I269 HydrophobicContact CG1-CD1 4.3Å; L263-I269 HydrophobicContact CB-CD1 3.81Å; L263-I269 HydrophobicContact CD2-CD1 3.43Å; L263-I269 VanDerWaalsContact CD2-CD1 3.43Å; L263-I269 HydrophobicContact CG-CD1 4.17Å; L263-I269 VanDerWaalsContact O-CB 3.31Å; L263-I269 WeakPolarHBondContact O-CB 3.46Å; L263-I269 VanDerWaalsContact O-CD1 3.25Å; L263-I269 WeakPolarHBondContact O-CD1 3.35Å; L263-I269 WeakPolarHBondContact O-CG2 3.48Å; I264-I269 HydrophobicContact CD1-CG2 4.46Å; F266-I269 HydrophobicContact CB-CB 4.48Å; F266-I269 HydrophobicContact CB-CD1 4.19Å; F266-I269 HydrophobicContact CB-CG1 4.36Å; F266-I269 HydrophobicContact CD2-CD1 4.45Å; F266-I269 PolarHBondContact O-N 3.08Å; I269-C272 WeakPolarHBondContact O-CB 3.46Å; I269-C272 PolarHBondContact O-N 3.21Å; I269-V273 WeakPolarHBondContact O-CG2 3.17Å; I269-V273 PolarHBondContact O-N 3.37Å; I269-F281 HydrophobicContact CD1-CE2 4.46Å; I269-F281 HydrophobicContact CD1-CZ 3.87Å; I269-F281 HydrophobicContact CG1-CE2 4.48Å; I269-F281 HydrophobicContact CG1-CZ 3.78Å
270	R	86.6	Confident	87	Confident	6 Å²	6	42.9 Å²	42.9	2%	0.023	21%	0.213	C	C	.	.	H	α-helix	trans	-62.2	-46.1	176.2	-177.5	174.8	-68.9	-136.7	-5.2	112.5	E181 S183 I264 F266 Q267 Y268 C272 V273 M274	E181-R270 VanDerWaalsContact CD-CD 3.46Å; E181-R270 PolarHBondContact O-NH2 3.24Å; E181-R270 WeakPolarHBondContact OE2-CD 3.5Å; E181-R270 IonicContact OE2-CZ 2.86Å; E181-R270 IonicContact OE2-NE 3.76Å; E181-R270 PolarHBondContact OE2-NE 3.13Å; E181-R270 IonicContact OE2-NH1 2.64Å; E181-R270 PolarHBondContact OE2-NH1 2.74Å; S183-R270 PolarHBondContact O-NH1 2.9Å; S183-R270 PolarHBondContact O-NH2 3.03Å; I264-R270 PolarHBondContact O-NE 2.98Å; I264-R270 VanDerWaalsContact O-NE 3.08Å; I264-R270 PolarHBondContact O-NH2 3.47Å; F266-R270 PolarHBondContact O-N 3.21Å; Q267-R270 PolarHBondContact O-N 3Å; Y268-R270 VanDerWaalsContact C-N 3.31Å; Y268-R270 PolarHBondContact O-N 3.04Å; R270-C272 PolarHBondContact O-N 2.92Å; R270-V273 PolarHBondContact O-N 3.47Å; R270-V273 VanDerWaalsContact O-N 3.16Å; R270-M274 HydrophobicContact CG-CG 4.14Å; R270-M274 WeakPolarHBondContact O-CB 3.14Å; R270-M274 WeakPolarHBondContact O-CG 3.45Å; R270-M274 PolarHBondContact O-N 3.37Å
271	N	83.9	Confident	87	Confident	65 Å²	65	36.6 Å²	36.6	35%	0.348	18%	0.179	S	C	.	.	H	α-helix	trans	-58.4	-40.2	174.8	-76.7	-29.1	0	0	0	110.8	Q267 Y268 M274 N275	Q267-N271 WeakPolarHBondContact O-CB 3.26Å; Q267-N271 VanDerWaalsContact O-CG 3.25Å; Q267-N271 PolarHBondContact O-N 3.04Å; Q267-N271 PolarHBondContact O-ND2 2.96Å; Y268-N271 PolarHBondContact O-N 3.46Å; N271-M274 PolarHBondContact O-N 2.94Å; N271-N275 VanDerWaalsContact O-CB 3.23Å; N271-N275 WeakPolarHBondContact O-CB 3.42Å; N271-N275 VanDerWaalsContact O-CG 3.23Å; N271-N275 PolarHBondContact O-N 3.17Å; N271-N275 PolarHBondContact O-ND2 3.43Å
272	C	86.7	Confident	87	Confident	5 Å²	5	34 Å²	34	3%	0.034	17%	0.168	C	C	.	.	H	α-helix	trans	-61.3	-48	173.8	-72.8	0	0	0	0	112.6	Y268 I269 R270 M274 N275 R276 T277 P279	Y268-C272 PolarHBondContact O-N 3.29Å; Y268-C272 PolarHBondContact O-SG 3.05Å; Y268-C272 VanDerWaalsContact O-SG 3.37Å; I269-C272 WeakPolarHBondContact O-CB 3.46Å; I269-C272 PolarHBondContact O-N 3.21Å; R270-C272 PolarHBondContact O-N 2.92Å; C272-M274 PolarHBondContact O-N 3.31Å; C272-N275 CarbonylContact O-C 3.57Å; C272-N275 PolarHBondContact O-N 2.58Å; C272-R276 CarbonylContact O-C 3.6Å; C272-R276 VanDerWaalsContact O-CA 3.3Å; C272-R276 WeakPolarHBondContact O-CA 3.26Å; C272-R276 PolarHBondContact O-N 3.49Å; C272-T277 CarbonylContact C-O 3.59Å; C272-T277 VanDerWaalsContact CA-OG1 3.29Å; C272-T277 WeakPolarHBondContact CA-OG1 3.36Å; C272-T277 WeakPolarHBondContact CB-O 3.27Å; C272-T277 PolarHBondContact O-N 3.36Å; C272-P279 HydrophobicContact CB-CB 4.4Å; C272-P279 HydrophobicContact CB-CG 3.68Å
273	V	85.9	Confident	87	Confident	7 Å²	7	32.6 Å²	32.6	4%	0.042	16%	0.159	C	C	.	.	H	α-helix	trans	-61.9	-45.6	177	172.2	0	0	0	0	111.4	L188 K191 L192 L197 I264 I269 R270 N275 R276	L188-V273 HydrophobicContact CG-CG1 4.37Å; K191-V273 HydrophobicContact CB-CG1 4.05Å; L192-V273 HydrophobicContact CD2-CG1 3.94Å; L192-V273 HydrophobicContact CD2-CG2 3.89Å; L192-V273 HydrophobicContact CG-CG1 4.44Å; L197-V273 HydrophobicContact CD1-CG2 3.44Å; L197-V273 VanDerWaalsContact CD1-CG2 3.44Å; I264-V273 HydrophobicContact CD1-CB 4.22Å; I264-V273 HydrophobicContact CD1-CG1 4.44Å; I264-V273 HydrophobicContact CD1-CG2 3.81Å; I269-V273 WeakPolarHBondContact O-CG2 3.17Å; I269-V273 PolarHBondContact O-N 3.37Å; R270-V273 PolarHBondContact O-N 3.47Å; R270-V273 VanDerWaalsContact O-N 3.16Å; V273-N275 VanDerWaalsContact C-N 3.3Å; V273-N275 PolarHBondContact O-N 2.84Å; V273-R276 PolarHBondContact O-N 3.16Å
274	M	78.2	Confident	86.9	Confident	31 Å²	31	32.8 Å²	32.8	15%	0.153	16%	0.16	C	C	.	.	H	α-helix	trans	-65.3	-35.1	-177.6	-68.5	-62.9	-86.3	0	0	112.2	K191 R270 N271 C272 D833 R835	K191-M274 HydrophobicContact CD-SD 3.95Å; K191-M274 PolarHBondContact NZ-SD 3.1Å; R270-M274 HydrophobicContact CG-CG 4.14Å; R270-M274 WeakPolarHBondContact O-CB 3.14Å; R270-M274 WeakPolarHBondContact O-CG 3.45Å; R270-M274 PolarHBondContact O-N 3.37Å; N271-M274 PolarHBondContact O-N 2.94Å; C272-M274 PolarHBondContact O-N 3.31Å; M274-D833 HydrophobicContact CE-CB 4.39Å; M274-D833 WeakPolarHBondContact CE-OD2 3.44Å; M274-R835 PolarHBondContact O-NH1 3.45Å
275	N	76.4	Confident	86.9	Confident	76 Å²	76	36.5 Å²	36.5	41%	0.406	18%	0.177	S	C	.	.	H	α-helix	trans	-93.9	-1.5	178.7	-61.8	-37.2	0	0	0	113.6	N271 C272 V273 T277	N271-N275 VanDerWaalsContact O-CB 3.23Å; N271-N275 WeakPolarHBondContact O-CB 3.42Å; N271-N275 VanDerWaalsContact O-CG 3.23Å; N271-N275 PolarHBondContact O-N 3.17Å; N271-N275 PolarHBondContact O-ND2 3.43Å; C272-N275 CarbonylContact O-C 3.57Å; C272-N275 PolarHBondContact O-N 2.58Å; V273-N275 VanDerWaalsContact C-N 3.3Å; V273-N275 PolarHBondContact O-N 2.84Å; N275-T277 HydrophobicContact CB-CG2 4.15Å; N275-T277 PolarHBondContact O-N 3.07Å
276	R	78.1	Confident	86.9	Confident	152 Å²	152	34.7 Å²	34.7	57%	0.574	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	37.6	-171.7	-57.6	-178.3	178.2	172.4	-2.2	113.3	C272 V273	C272-R276 CarbonylContact O-C 3.6Å; C272-R276 VanDerWaalsContact O-CA 3.3Å; C272-R276 WeakPolarHBondContact O-CA 3.26Å; C272-R276 PolarHBondContact O-N 3.49Å; V273-R276 PolarHBondContact O-N 3.16Å
277	T	83.5	Confident	86.9	Confident	78 Å²	78	37.9 Å²	37.9	48%	0.479	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-95.9	152.3	170.9	60.9	0	0	0	0	110.2	C272 N275 P279	C272-T277 CarbonylContact C-O 3.59Å; C272-T277 VanDerWaalsContact CA-OG1 3.29Å; C272-T277 WeakPolarHBondContact CA-OG1 3.36Å; C272-T277 WeakPolarHBondContact CB-O 3.27Å; C272-T277 PolarHBondContact O-N 3.36Å; N275-T277 HydrophobicContact CB-CG2 4.15Å; N275-T277 PolarHBondContact O-N 3.07Å; T277-P279 WeakPolarHBondContact O-CD 3.46Å
278	L	88.1	Confident	86.9	Confident	65 Å²	65	39 Å²	39	34%	0.34	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-77.7	123.3	179.2	-179.9	59.5	0	0	0	109.2	I198 A200 H280	I198-L278 HydrophobicContact CB-CD1 4.21Å; I198-L278 HydrophobicContact CG2-CD1 3.81Å; I198-L278 WeakPolarHBondContact O-CD1 3.42Å; A200-L278 HydrophobicContact CB-CD1 4.31Å; A200-L278 HydrophobicContact CB-CD2 3.85Å; A200-L278 HydrophobicContact CB-CG 3.98Å; L278-H280 PolarHBondContact O-CD2 3.29Å; L278-H280 PolarHBondContact O-N 3.25Å
279	P	91.4	Very high	86.8	Confident	3 Å²	3	38.4 Å²	38.4	2%	0.019	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-64.2	126.3	169.6	-18.4	30.5	0	0	0	110.5	L197 I198 V199 A200 Y268 C272 T277 F281	L197-P279 HydrophobicContact CD1-CG 4.27Å; I198-P279 VanDerWaalsContact O-CD 3.27Å; I198-P279 WeakPolarHBondContact O-CD 3.37Å; V199-P279 HydrophobicContact CG1-CB 4.28Å; V199-P279 HydrophobicContact CG1-CG 4.29Å; A200-P279 PolarHBondContact N-O 3.04Å; Y268-P279 HydrophobicContact CE1-CB 3.96Å; C272-P279 HydrophobicContact CB-CB 4.4Å; C272-P279 HydrophobicContact CB-CG 3.68Å; T277-P279 WeakPolarHBondContact O-CD 3.46Å; P279-F281 HydrophobicContact CB-CD2 4.43Å; P279-F281 HydrophobicContact CB-CE2 3.66Å; P279-F281 HydrophobicContact CB-CZ 4.16Å
280	H	89.6	Confident	86.8	Confident	59 Å²	59	42.1 Å²	42.1	27%	0.273	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	122.8	179.6	-71.1	-77.9	0	0	0	111	A200 S251 Y268 L278	A200-H280 WeakPolarHBondContact CB-ND1 3.4Å; A200-H280 WeakPolarHBondContact O-CA 3.47Å; S251-H280 WeakPolarHBondContact CB-O 3.3Å; S251-H280 PolarHBondContact N-O 3.12Å; Y268-H280 PolarHBondContact OH-N 3.43Å; L278-H280 PolarHBondContact O-CD2 3.29Å; L278-H280 PolarHBondContact O-N 3.25Å
281	F	91.4	Very high	87	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.009	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	144.9	-178.8	-62.3	-73.1	0	0	0	112.9	V199 A200 I201 H202 L248 Q249 V250 V257 Y268 I269 P279	V199-F281 HydrophobicContact CG1-CE2 4.36Å; A200-F281 PolarHBondContact O-N 2.96Å; I201-F281 WeakPolarHBondContact CA-O 3.49Å; I201-F281 HydrophobicContact CG1-CB 4.44Å; H202-F281 PolarHBondContact CD2-O 3.5Å; H202-F281 VanDerWaalsContact CD2-O 3.23Å; H202-F281 PolarHBondContact N-O 3.33Å; L248-F281 HydrophobicContact CB-CD1 4.03Å; L248-F281 HydrophobicContact CB-CG 4.37Å; L248-F281 HydrophobicContact CD2-CB 3.9Å; L248-F281 HydrophobicContact CD2-CG 4.21Å; Q249-F281 CarbonylContact O-C 3.53Å; Q249-F281 VanDerWaalsContact O-CA 3.28Å; Q249-F281 WeakPolarHBondContact O-CA 3.32Å; V250-F281 HydrophobicContact CG2-CD1 4.34Å; V250-F281 HydrophobicContact CG2-CE1 3.94Å; V257-F281 HydrophobicContact CB-CE1 4.22Å; V257-F281 HydrophobicContact CG2-CE1 3.75Å; V257-F281 HydrophobicContact CG2-CZ 4.36Å; Y268-F281 AromaticContact CD1-CE1 3.88Å; Y268-F281 HydrophobicContact CD1-CE1 3.88Å; Y268-F281 AromaticContact CD1-CZ 3.82Å; Y268-F281 HydrophobicContact CD1-CZ 3.82Å; Y268-F281 AromaticContact CE1-CE1 3.89Å; Y268-F281 HydrophobicContact CE1-CE1 3.89Å; Y268-F281 HydrophobicContact CE1-CE2 4.47Å; Y268-F281 AromaticContact CE1-CZ 3.79Å; Y268-F281 HydrophobicContact CE1-CZ 3.79Å; I269-F281 HydrophobicContact CD1-CE2 4.46Å; I269-F281 HydrophobicContact CD1-CZ 3.87Å; I269-F281 HydrophobicContact CG1-CE2 4.48Å; I269-F281 HydrophobicContact CG1-CZ 3.78Å; P279-F281 HydrophobicContact CB-CD2 4.43Å; P279-F281 HydrophobicContact CB-CE2 3.66Å; P279-F281 HydrophobicContact CB-CZ 4.16Å
282	I	90	Very high	87.2	Confident	18 Å²	18	48.1 Å²	48.1	9%	0.092	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	127.3	164.1	-56.2	168.5	0	0	0	107	H202 E204 Q249 V284	H202-I282 WeakPolarHBondContact NE2-CG1 3.5Å; H202-I282 WeakPolarHBondContact O-CA 3.31Å; E204-I282 HydrophobicContact CB-CG2 4.2Å; E204-I282 HydrophobicContact CG-CG2 4.25Å; Q249-I282 HydrophobicContact CB-CB 4.36Å; Q249-I282 PolarHBondContact N-O 2.88Å; Q249-I282 PolarHBondContact O-N 3.48Å; I282-V284 HydrophobicContact CB-CG2 4.26Å; I282-V284 HydrophobicContact CG2-CG2 3.78Å; I282-V284 PolarHBondContact O-N 2.97Å
283	L	90.4	Very high	87.3	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.016	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	109.4	170.2	-156.5	74.2	0	0	0	109.2	I201 H202 F203 N224 A227 I228 Y246 L248	I201-L283 HydrophobicContact CG2-CB 4.11Å; H202-L283 PolarHBondContact O-N 3.34Å; F203-L283 HydrophobicContact CD1-CB 4.29Å; F203-L283 HydrophobicContact CD1-CD2 4.07Å; F203-L283 HydrophobicContact CE1-CB 4.4Å; F203-L283 HydrophobicContact CE1-CD2 3.4Å; F203-L283 VanDerWaalsContact CE1-CD2 3.4Å; F203-L283 HydrophobicContact CE1-CG 4.48Å; F203-L283 HydrophobicContact CZ-CD2 3.84Å; N224-L283 HydrophobicContact CB-CD1 4.43Å; N224-L283 WeakPolarHBondContact OD1-CD1 3.4Å; A227-L283 HydrophobicContact CB-CD2 4.13Å; I228-L283 HydrophobicContact CG1-CD2 4.19Å; Y246-L283 HydrophobicContact CD1-CD2 3.75Å; Y246-L283 HydrophobicContact CD1-CG 3.71Å; Y246-L283 HydrophobicContact CE1-CD2 4.41Å; Y246-L283 HydrophobicContact CG-CD2 3.95Å; Y246-L283 HydrophobicContact CG-CG 4.06Å; L248-L283 HydrophobicContact CD2-CD1 3.62Å; L248-L283 HydrophobicContact CG-CD1 4.34Å
284	V	89.1	Confident	87.4	Confident	5 Å²	5	54.5 Å²	54.5	3%	0.03	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	134.7	-173	-176.7	0	0	0	0	110.4	Y246 V247 Q249 I282 K288 I289	Y246-V284 VanDerWaalsContact CA-O 3.3Å; Y246-V284 WeakPolarHBondContact CA-O 3.42Å; V247-V284 HydrophobicContact CG1-CB 4.21Å; V247-V284 PolarHBondContact N-O 3.26Å; V247-V284 PolarHBondContact O-N 2.9Å; Q249-V284 HydrophobicContact CB-CG2 3.66Å; Q249-V284 VanDerWaalsContact OE1-CG2 3.25Å; I282-V284 HydrophobicContact CB-CG2 4.26Å; I282-V284 HydrophobicContact CG2-CG2 3.78Å; I282-V284 PolarHBondContact O-N 2.97Å; V284-K288 HydrophobicContact CG1-CB 4.48Å; V284-I289 HydrophobicContact CG1-CG1 4.43Å
285	E	89.6	Confident	87.8	Confident	78 Å²	78	58.5 Å²	58.5	36%	0.364	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	132.8	173.8	-73.8	-178.8	-174.7	0	0	111.6	Y246 C287 K288	Y246-E285 HydrophobicContact CD1-CG 3.94Å; Y246-E285 HydrophobicContact CE1-CB 4.34Å; Y246-E285 HydrophobicContact CE1-CG 3.22Å; Y246-E285 HydrophobicContact CE2-CG 4.41Å; Y246-E285 PolarHBondContact OH-OE1 3.09Å; E285-C287 VanDerWaalsContact CB-SG 3.58Å; E285-C287 PolarHBondContact O-N 2.94Å; E285-C287 PolarHBondContact OE2-SG 3.4Å; E285-K288 PolarHBondContact O-N 3.18Å
286	C	89.1	Confident	88.3	Confident	3 Å²	3	56 Å²	56	2%	0.02	27%	0.266	C	S	.	.	H	α-helix	trans	-62	-20.4	179.9	-64.7	0	0	0	0	112.6	W168 D245 K288 I289 K290	W168-C286 HydrophobicContact CH2-CB 3.59Å; W168-C286 WeakPolarHBondContact CH2-SG 3.11Å; W168-C286 HydrophobicContact CZ2-CB 3.86Å; W168-C286 HydrophobicContact CZ3-CB 4.15Å; D245-C286 WeakPolarHBondContact O-CB 3.38Å; D245-C286 PolarHBondContact O-N 3.43Å; D245-C286 PolarHBondContact O-SG 2.99Å; C286-K288 VanDerWaalsContact C-N 3.28Å; C286-K288 PolarHBondContact O-N 3.05Å; C286-I289 PolarHBondContact O-N 3.34Å; C286-K290 WeakPolarHBondContact O-CB 3.47Å; C286-K290 VanDerWaalsContact O-CG 3.27Å; C286-K290 WeakPolarHBondContact O-CG 3.27Å; C286-K290 PolarHBondContact O-N 3.05Å
287	C	88.7	Confident	88.7	Confident	70 Å²	70	49.1 Å²	49.1	47%	0.473	24%	0.24	S	C	.	.	H	α-helix	trans	-60.1	-34.7	174.2	71.7	0	0	0	0	112.7	E285 K291	E285-C287 VanDerWaalsContact CB-SG 3.58Å; E285-C287 PolarHBondContact O-N 2.94Å; E285-C287 PolarHBondContact OE2-SG 3.4Å; C287-K291 PolarHBondContact O-N 2.98Å
288	K	87.9	Confident	88.7	Confident	80 Å²	80	50.7 Å²	50.7	35%	0.348	24%	0.244	S	C	.	.	H	α-helix	trans	-70.4	-40.8	176.9	-74.1	-176.4	171	176.9	0	111.7	E204 V284 E285 C286 K291 M292	E204-K288 IonicContact OE1-NZ 3.51Å; E204-K288 PolarHBondContact OE1-NZ 3Å; E204-K288 VanDerWaalsContact OE2-CD 3.3Å; E204-K288 WeakPolarHBondContact OE2-CD 3.33Å; E204-K288 WeakPolarHBondContact OE2-CE 3.08Å; E204-K288 IonicContact OE2-NZ 3.28Å; E204-K288 PolarHBondContact OE2-NZ 3.15Å; V284-K288 HydrophobicContact CG1-CB 4.48Å; E285-K288 PolarHBondContact O-N 3.18Å; C286-K288 VanDerWaalsContact C-N 3.28Å; C286-K288 PolarHBondContact O-N 3.05Å; K288-K291 WeakPolarHBondContact O-CB 3.29Å; K288-K291 PolarHBondContact O-N 3.48Å; K288-M292 WeakPolarHBondContact O-CG 3.43Å; K288-M292 PolarHBondContact O-N 3.09Å
289	I	88.3	Confident	88.3	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-66.3	-42.7	177.1	-58.1	179	0	0	0	110	W168 W171 L172 V247 Y256 V284 C286 K291 M292 Y293	W168-I289 HydrophobicContact CE3-CB 4.41Å; W168-I289 HydrophobicContact CE3-CG2 3.86Å; W168-I289 HydrophobicContact CZ3-CB 4.45Å; W168-I289 HydrophobicContact CZ3-CG2 4.1Å; W171-I289 HydrophobicContact CE3-CG2 4.32Å; W171-I289 HydrophobicContact CZ3-CG2 3.69Å; L172-I289 HydrophobicContact CD1-CG2 4.02Å; L172-I289 HydrophobicContact CD2-CD1 4.4Å; V247-I289 HydrophobicContact CB-CD1 4.4Å; V247-I289 HydrophobicContact CG1-CD1 3.23Å; Y256-I289 HydrophobicContact CD1-CD1 4.39Å; Y256-I289 HydrophobicContact CE1-CD1 3.95Å; V284-I289 HydrophobicContact CG1-CG1 4.43Å; C286-I289 PolarHBondContact O-N 3.34Å; I289-K291 VanDerWaalsContact C-N 3.31Å; I289-K291 PolarHBondContact O-N 3.33Å; I289-M292 WeakPolarHBondContact O-CB 3.44Å; I289-M292 PolarHBondContact O-N 2.95Å; I289-Y293 PolarHBondContact O-N 3.17Å
290	K	89.6	Confident	87.8	Confident	78 Å²	78	48.7 Å²	48.7	34%	0.339	24%	0.237	S	C	.	.	H	α-helix	trans	-57.8	-42.7	171.7	-72.8	171.7	-176.1	176.8	0	111.7	W168 C286 M292 Y293 E294	W168-K290 HydrophobicContact CB-CG 4.11Å; W168-K290 HydrophobicContact CD2-CG 4.08Å; W168-K290 HydrophobicContact CG-CG 3.78Å; W168-K290 VanDerWaalsContact NE1-CE 3.33Å; C286-K290 WeakPolarHBondContact O-CB 3.47Å; C286-K290 VanDerWaalsContact O-CG 3.27Å; C286-K290 WeakPolarHBondContact O-CG 3.27Å; C286-K290 PolarHBondContact O-N 3.05Å; K290-M292 PolarHBondContact O-N 3.49Å; K290-Y293 WeakPolarHBondContact O-CB 3.3Å; K290-Y293 PolarHBondContact O-N 2.82Å; K290-E294 WeakPolarHBondContact O-CB 3.44Å; K290-E294 VanDerWaalsContact O-CG 3.25Å; K290-E294 WeakPolarHBondContact O-CG 3.47Å; K290-E294 PolarHBondContact O-N 2.94Å
291	K	90.2	Very high	87.3	Confident	127 Å²	127	50.1 Å²	50.1	55%	0.552	24%	0.244	S	C	*	.	H	α-helix	trans	-63.1	-39.1	175.7	-169.3	177.5	-177.5	176.9	0	112.8	C287 K288 I289 Q295	C287-K291 PolarHBondContact O-N 2.98Å; K288-K291 WeakPolarHBondContact O-CB 3.29Å; K288-K291 PolarHBondContact O-N 3.48Å; I289-K291 VanDerWaalsContact C-N 3.31Å; I289-K291 PolarHBondContact O-N 3.33Å; K291-Q295 WeakPolarHBondContact O-CB 3.44Å; K291-Q295 VanDerWaalsContact O-CG 3.3Å; K291-Q295 WeakPolarHBondContact O-CG 3.44Å; K291-Q295 PolarHBondContact O-N 3.24Å
292	M	88.2	Confident	86.5	Confident	69 Å²	69	53 Å²	53	34%	0.34	27%	0.268	S	S	.	.	H	α-helix	trans	-63.2	-46.2	173.5	-67.6	171.5	64.5	0	0	111.2	W171 Y176 K288 I289 K290 Q295 E296	W171-M292 HydrophobicContact CH2-CB 3.8Å; W171-M292 HydrophobicContact CH2-CE 4.41Å; Y176-M292 HydrophobicContact CE2-CE 4.22Å; K288-M292 WeakPolarHBondContact O-CG 3.43Å; K288-M292 PolarHBondContact O-N 3.09Å; I289-M292 WeakPolarHBondContact O-CB 3.44Å; I289-M292 PolarHBondContact O-N 2.95Å; K290-M292 PolarHBondContact O-N 3.49Å; M292-Q295 PolarHBondContact O-N 3.01Å; M292-E296 PolarHBondContact O-N 3.3Å; M292-E296 VanDerWaalsContact O-N 3.09Å
293	Y	89.2	Confident	85.5	Confident	39 Å²	39	53 Å²	53	15%	0.153	27%	0.271	C	S	.	.	H	α-helix	trans	-57.6	-50.4	174.7	163.3	-101.7	0	0	0	111.6	L166 W168 W171 I289 K290 Q295 E296 M297	L166-Y293 PolarHBondContact O-OH 3.46Å; L166-Y293 VanDerWaalsContact O-OH 3.08Å; W168-Y293 HydrophobicContact CB-CD1 4.24Å; W168-Y293 HydrophobicContact CB-CG 4.27Å; W171-Y293 HydrophobicContact CB-CD2 3.73Å; W171-Y293 HydrophobicContact CB-CE2 4.08Å; W171-Y293 AromaticContact CD1-CD2 3.76Å; W171-Y293 AromaticContact CD2-CD2 3.87Å; W171-Y293 HydrophobicContact CD2-CD2 3.87Å; W171-Y293 HydrophobicContact CD2-CG 4.4Å; W171-Y293 HydrophobicContact CE3-CD2 4.48Å; W171-Y293 AromaticContact CG-CD2 3.51Å; W171-Y293 HydrophobicContact CG-CD2 3.51Å; W171-Y293 HydrophobicContact CG-CE2 4.22Å; W171-Y293 HydrophobicContact CG-CG 4.44Å; I289-Y293 PolarHBondContact O-N 3.17Å; K290-Y293 WeakPolarHBondContact O-CB 3.3Å; K290-Y293 PolarHBondContact O-N 2.82Å; Y293-Q295 PolarHBondContact O-N 3.44Å; Y293-E296 WeakPolarHBondContact O-CB 3.47Å; Y293-E296 PolarHBondContact O-N 3.45Å; Y293-E296 VanDerWaalsContact O-N 3.08Å; Y293-M297 HydrophobicContact CD1-CG 4.34Å; Y293-M297 HydrophobicContact CD2-CE 3.93Å; Y293-M297 HydrophobicContact CD2-CG 3.88Å; Y293-M297 HydrophobicContact CD2-SD 4.35Å; Y293-M297 HydrophobicContact CE1-CG 3.93Å; Y293-M297 HydrophobicContact CE2-CE 3.72Å; Y293-M297 HydrophobicContact CE2-CG 3.43Å; Y293-M297 VanDerWaalsContact CE2-CG 3.43Å; Y293-M297 HydrophobicContact CE2-SD 3.65Å; Y293-M297 HydrophobicContact CG-CG 4.33Å; Y293-M297 VanDerWaalsContact CZ-CG 3.45Å; Y293-M297 WeakPolarHBondContact O-CG 3.41Å; Y293-M297 PolarHBondContact O-N 3.36Å
294	E	89.1	Confident	84.5	Confident	108 Å²	108	55.5 Å²	55.5	51%	0.505	28%	0.284	S	S	.	.	H	α-helix	trans	-58.7	-45.4	179.1	-74.3	164	-168.6	0	0	112	K290 E296 M297 I298	K290-E294 WeakPolarHBondContact O-CB 3.44Å; K290-E294 VanDerWaalsContact O-CG 3.25Å; K290-E294 WeakPolarHBondContact O-CG 3.47Å; K290-E294 PolarHBondContact O-N 2.94Å; E294-E296 PolarHBondContact O-N 3.09Å; E294-M297 PolarHBondContact O-N 2.96Å; E294-I298 VanDerWaalsContact O-CG1 3.27Å; E294-I298 WeakPolarHBondContact O-CG1 3.32Å; E294-I298 PolarHBondContact O-N 3.33Å
295	Q	86.7	Confident	83.2	Confident	115 Å²	115	61.3 Å²	61.3	54%	0.537	32%	0.315	S	S	.	.	H	α-helix	trans	-61	-35.8	176.1	-76.2	178.7	-7.1	0	0	112.5	K291 M292 Y293 A299	K291-Q295 WeakPolarHBondContact O-CB 3.44Å; K291-Q295 VanDerWaalsContact O-CG 3.3Å; K291-Q295 WeakPolarHBondContact O-CG 3.44Å; K291-Q295 PolarHBondContact O-N 3.24Å; M292-Q295 PolarHBondContact O-N 3.01Å; Y293-Q295 PolarHBondContact O-N 3.44Å; Q295-A299 PolarHBondContact O-N 3.28Å
296	E	86.1	Confident	81.8	Confident	23 Å²	23	61.9 Å²	61.9	11%	0.107	31%	0.313	C	S	.	.	H	α-helix	trans	-74.1	-41.3	176.9	-158.2	177.6	152	0	0	112	W171 M292 Y293 E294 I298 A299 I300 R668 G704	W171-E296 WeakPolarHBondContact CZ2-OE2 3.5Å; W171-E296 PolarHBondContact NE1-OE2 2.99Å; M292-E296 PolarHBondContact O-N 3.3Å; M292-E296 VanDerWaalsContact O-N 3.09Å; Y293-E296 WeakPolarHBondContact O-CB 3.47Å; Y293-E296 PolarHBondContact O-N 3.45Å; Y293-E296 VanDerWaalsContact O-N 3.08Å; E294-E296 PolarHBondContact O-N 3.09Å; E296-I298 VanDerWaalsContact C-N 3.34Å; E296-I298 PolarHBondContact O-N 3.17Å; E296-A299 WeakPolarHBondContact O-CB 3.44Å; E296-A299 PolarHBondContact O-N 2.96Å; E296-A299 VanDerWaalsContact O-N 3.14Å; E296-I300 HydrophobicContact CG-CD1 4.24Å; E296-I300 PolarHBondContact O-N 3.18Å; E296-R668 IonicContact OE1-CZ 2.71Å; E296-R668 VanDerWaalsContact OE1-CZ 3.28Å; E296-R668 IonicContact OE1-NH1 3.32Å; E296-R668 PolarHBondContact OE1-NH1 3.11Å; E296-R668 IonicContact OE1-NH2 3.53Å; E296-R668 PolarHBondContact OE1-NH2 3.43Å; E296-R668 IonicContact OE2-CZ 3.24Å; E296-R668 VanDerWaalsContact OE2-CZ 3.3Å; E296-R668 IonicContact OE2-NH1 3.37Å; E296-R668 PolarHBondContact OE2-NH1 3.45Å; E296-R668 IonicContact OE2-NH2 2.89Å; E296-R668 PolarHBondContact OE2-NH2 3.18Å; E296-G704 WeakPolarHBondContact OE1-CA 3.27Å
297	M	86.7	Confident	79.6	Confident	8 Å²	8	68.9 Å²	68.9	4%	0.039	35%	0.351	C	S	.	.	H	α-helix	trans	-61.2	-41.2	175.7	-69.7	-52.6	105.4	0	0	111.5	V164 Y293 E294 A299 I300 E301	V164-M297 HydrophobicContact CG2-SD 4.47Å; Y293-M297 HydrophobicContact CD1-CG 4.34Å; Y293-M297 HydrophobicContact CD2-CE 3.93Å; Y293-M297 HydrophobicContact CD2-CG 3.88Å; Y293-M297 HydrophobicContact CD2-SD 4.35Å; Y293-M297 HydrophobicContact CE1-CG 3.93Å; Y293-M297 HydrophobicContact CE2-CE 3.72Å; Y293-M297 HydrophobicContact CE2-CG 3.43Å; Y293-M297 VanDerWaalsContact CE2-CG 3.43Å; Y293-M297 HydrophobicContact CE2-SD 3.65Å; Y293-M297 HydrophobicContact CG-CG 4.33Å; Y293-M297 VanDerWaalsContact CZ-CG 3.45Å; Y293-M297 WeakPolarHBondContact O-CG 3.41Å; Y293-M297 PolarHBondContact O-N 3.36Å; E294-M297 PolarHBondContact O-N 2.96Å; M297-A299 VanDerWaalsContact C-N 3.29Å; M297-A299 PolarHBondContact O-N 3.22Å; M297-I300 HydrophobicContact CE-CD1 3.54Å; M297-I300 CarbonylContact O-C 3.5Å; M297-I300 WeakPolarHBondContact O-CB 2.97Å; M297-I300 PolarHBondContact O-N 2.85Å; M297-I300 VanDerWaalsContact O-N 3.11Å; M297-I300 HydrophobicContact SD-CD1 4.37Å; M297-E301 WeakPolarHBondContact O-CB 3.33Å; M297-E301 WeakPolarHBondContact O-CG 3.45Å; M297-E301 PolarHBondContact O-N 2.88Å
298	I	83.8	Confident	77.3	Confident	111 Å²	111	70.6 Å²	70.6	57%	0.569	36%	0.363	S	S	*	.	H	α-helix	trans	-57.8	-42.5	174.3	-69.6	163.7	0	0	0	111.2	E294 E296 I300 A302	E294-I298 VanDerWaalsContact O-CG1 3.27Å; E294-I298 WeakPolarHBondContact O-CG1 3.32Å; E294-I298 PolarHBondContact O-N 3.33Å; E296-I298 VanDerWaalsContact C-N 3.34Å; E296-I298 PolarHBondContact O-N 3.17Å; I298-I300 VanDerWaalsContact C-N 3.34Å; I298-A302 WeakPolarHBondContact O-CB 3.42Å; I298-A302 PolarHBondContact O-N 3.29Å; I298-A302 VanDerWaalsContact O-N 3.08Å
299	A	80.1	Confident	74.9	Confident	24 Å²	24	70.9 Å²	70.9	20%	0.198	38%	0.376	C	S	.	.	H	α-helix	trans	-68.1	-36	178.1	0	0	0	0	0	112.2	Q295 E296 M297 A303	Q295-A299 PolarHBondContact O-N 3.28Å; E296-A299 WeakPolarHBondContact O-CB 3.44Å; E296-A299 PolarHBondContact O-N 2.96Å; E296-A299 VanDerWaalsContact O-N 3.14Å; M297-A299 VanDerWaalsContact C-N 3.29Å; M297-A299 PolarHBondContact O-N 3.22Å; A299-A303 PolarHBondContact O-N 3.47Å
300	I	80.1	Confident	72.5	Confident	2 Å²	2	78 Å²	78	1%	0.01	41%	0.413	C	S	.	.	H	α-helix	trans	-68.4	-47.8	175.9	-79.7	164	0	0	0	111.1	I160 L163 V164 E296 M297 I298 A302 A303 I304 V703	I160-I300 HydrophobicContact CG2-CB 4.27Å; I160-I300 HydrophobicContact CG2-CG1 4.2Å; I160-I300 HydrophobicContact CG2-CG2 3.27Å; L163-I300 HydrophobicContact CD1-CD1 4.26Å; V164-I300 HydrophobicContact CG2-CG2 3.69Å; E296-I300 HydrophobicContact CG-CD1 4.24Å; E296-I300 PolarHBondContact O-N 3.18Å; M297-I300 HydrophobicContact CE-CD1 3.54Å; M297-I300 CarbonylContact O-C 3.5Å; M297-I300 WeakPolarHBondContact O-CB 2.97Å; M297-I300 PolarHBondContact O-N 2.85Å; M297-I300 VanDerWaalsContact O-N 3.11Å; M297-I300 HydrophobicContact SD-CD1 4.37Å; I298-I300 VanDerWaalsContact C-N 3.34Å; I300-A302 VanDerWaalsContact C-N 3.29Å; I300-A302 PolarHBondContact O-N 2.71Å; I300-A303 CarbonylContact O-C 3.51Å; I300-A303 WeakPolarHBondContact O-CA 3.37Å; I300-A303 WeakPolarHBondContact O-CB 3.2Å; I300-A303 PolarHBondContact O-N 3.16Å; I300-I304 HydrophobicContact CG2-CD1 3.42Å; I300-I304 VanDerWaalsContact CG2-CD1 3.42Å; I300-I304 HydrophobicContact CG2-CG1 4.22Å; I300-I304 WeakPolarHBondContact O-CG1 3.48Å; I300-I304 PolarHBondContact O-N 3.18Å; I300-V703 HydrophobicContact CG1-CB 4.42Å
301	E	78.9	Confident	70.1	Confident	89 Å²	89	81.5 Å²	81.5	42%	0.416	44%	0.435	S	S	.	.	H	α-helix	trans	-60.1	-39.5	177.7	-74.2	174.7	-173.1	0	0	111.6	M297 A303 I304 N305	M297-E301 WeakPolarHBondContact O-CB 3.33Å; M297-E301 WeakPolarHBondContact O-CG 3.45Å; M297-E301 PolarHBondContact O-N 2.88Å; E301-A303 PolarHBondContact O-N 3.25Å; E301-I304 PolarHBondContact O-N 3.04Å; E301-N305 VanDerWaalsContact O-CB 3.29Å; E301-N305 WeakPolarHBondContact O-CB 3.31Å; E301-N305 PolarHBondContact O-N 3.02Å; E301-N305 PolarHBondContact O-ND2 3.19Å
302	A	74.4	Confident	67.7	Low	61 Å²	61	80.8 Å²	80.8	50%	0.504	44%	0.444	S	S	.	.	H	α-helix	trans	-61.7	-31.1	173.1	0	0	0	0	0	112.8	I298 I300	I298-A302 WeakPolarHBondContact O-CB 3.42Å; I298-A302 PolarHBondContact O-N 3.29Å; I298-A302 VanDerWaalsContact O-N 3.08Å; I300-A302 VanDerWaalsContact C-N 3.29Å; I300-A302 PolarHBondContact O-N 2.71Å
303	A	70.3	Confident	65.5	Low	20 Å²	20	84.9 Å²	84.9	17%	0.165	47%	0.466	C	S	.	.	H	α-helix	trans	-81.1	-28.8	175.6	0	0	0	0	0	113.1	L122 A299 I300 E301 R306 V703	L122-A303 HydrophobicContact CD2-CB 4.38Å; A299-A303 PolarHBondContact O-N 3.47Å; I300-A303 CarbonylContact O-C 3.51Å; I300-A303 WeakPolarHBondContact O-CA 3.37Å; I300-A303 WeakPolarHBondContact O-CB 3.2Å; I300-A303 PolarHBondContact O-N 3.16Å; E301-A303 PolarHBondContact O-N 3.25Å; A303-R306 PolarHBondContact O-NE 3.27Å; A303-V703 HydrophobicContact CB-CG1 4.44Å; A303-V703 HydrophobicContact CB-CG2 4.2Å
304	I	68.9	Low	63.1	Low	54 Å²	54	88.8 Å²	88.8	28%	0.277	50%	0.496	S	S	.	.	H	α-helix	trans	-82.4	-40.4	179.7	-63.1	159.4	0	0	0	112.6	I160 L161 V164 I300 E301 R306	I160-I304 HydrophobicContact CG2-CD1 3.91Å; I160-I304 HydrophobicContact CG2-CG1 4.06Å; L161-I304 HydrophobicContact CD2-CD1 3.99Å; L161-I304 HydrophobicContact CD2-CG1 4.4Å; L161-I304 HydrophobicContact CD2-CG2 3.83Å; V164-I304 HydrophobicContact CG2-CD1 3.69Å; I300-I304 HydrophobicContact CG2-CD1 3.42Å; I300-I304 VanDerWaalsContact CG2-CD1 3.42Å; I300-I304 HydrophobicContact CG2-CG1 4.22Å; I300-I304 WeakPolarHBondContact O-CG1 3.48Å; I300-I304 PolarHBondContact O-N 3.18Å; E301-I304 PolarHBondContact O-N 3.04Å; I304-R306 PolarHBondContact O-N 3.38Å
305	N	61.1	Low	60.9	Low	128 Å²	128	90.6 Å²	90.6	68%	0.684	51%	0.508	S	S	*	.			trans	-68.4	31.6	-173.5	-80.3	-27.2	0	0	0	114.8	E301 N307	E301-N305 VanDerWaalsContact O-CB 3.29Å; E301-N305 WeakPolarHBondContact O-CB 3.31Å; E301-N305 PolarHBondContact O-N 3.02Å; E301-N305 PolarHBondContact O-ND2 3.19Å; N305-N307 PolarHBondContact O-N 3.49Å
306	R	60.1	Low	58.8	Low	90 Å²	90	90 Å²	90	34%	0.34	52%	0.515	S	S	.	.			trans	-51.7	130.8	159.6	-63.9	175.6	175.7	177.8	-0.5	108.8	E157 A303 I304 S308	E157-R306 IonicContact OE1-CZ 2.96Å; E157-R306 IonicContact OE1-NH1 2.67Å; E157-R306 PolarHBondContact OE1-NH1 2.91Å; A303-R306 PolarHBondContact O-NE 3.27Å; I304-R306 PolarHBondContact O-N 3.38Å; R306-S308 PolarHBondContact O-N 3.39Å
307	N	43.3	Very low	56.6	Low	150 Å²	150	94.9 Å²	94.9	80%	0.802	55%	0.548	S	S	*	.			trans	-56	109.7	161.2	-88.2	-30.9	0	0	0	107.6	N305 S309	N305-N307 PolarHBondContact O-N 3.49Å; N307-S309 PolarHBondContact O-N 3Å
308	S	39.4	Very low	54.6	Low	105 Å²	105	103.1 Å²	103.1	73%	0.734	58%	0.584	S	S	*	*			trans	-69.6	53.7	161.2	61.7	0	0	0	0	109.5	R306 N310	R306-S308 PolarHBondContact O-N 3.39Å; S308-N310 PolarHBondContact O-N 3.45Å
309	S	37.7	Very low	52.8	Low	87 Å²	87	107 Å²	107	61%	0.608	60%	0.597	S	S	*	*			trans	-81.2	105.3	169.3	34.3	0	0	0	0	107.8	N307	N307-S309 PolarHBondContact O-N 3Å
310	N	38.7	Very low	51	Low	149 Å²	149	112.8 Å²	112.8	80%	0.797	63%	0.63	S	S	*	*			trans	78.6	68.1	170.9	-49.2	-35.4	0	0	0	115.6	S308 P312	S308-N310 PolarHBondContact O-N 3.45Å; N310-P312 WeakPolarHBondContact O-CD 3.3Å
311	L	39.4	Very low	49.9	Very low	153 Å²	153	122.8 Å²	122.8	80%	0.801	67%	0.667	S	S	*	*			trans	-57.4	121	140.3	-90.7	138	0	0	0	107	L313	L311-L313 PolarHBondContact O-N 2.88Å
312	P	39.4	Very low	49.1	Very low	112 Å²	112	124.9 Å²	124.9	73%	0.727	68%	0.68	S	S	*	*			trans	-56.2	134.9	171.5	-17.8	29.7	0	0	0	108.1	N310	N310-P312 WeakPolarHBondContact O-CD 3.3Å
313	L	42.1	Very low	48.9	Very low	155 Å²	155	126.5 Å²	126.5	81%	0.812	68%	0.679	S	S	*	*			trans	-45.8	143	167.2	-75.6	161.1	0	0	0	109	L311 L315	L311-L313 PolarHBondContact O-N 2.88Å; L313-L315 PolarHBondContact O-N 3.41Å
314	P	38.3	Very low	49.6	Very low	121 Å²	121	126.6 Å²	126.6	79%	0.786	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-51.5	118	174.4	-10.1	16.5	0	0	0	107.8
315	L	43	Very low	50.6	Low	145 Å²	145	125.8 Å²	125.8	76%	0.759	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-53.7	136.8	170.5	-77.5	163.6	0	0	0	106.9	L313	L313-L315 PolarHBondContact O-N 3.41Å
316	P	43.3	Very low	51.9	Low	103 Å²	103	119.7 Å²	119.7	67%	0.669	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-51	144.7	177.2	20.6	-31.3	0	0	0	109.1	K318	P316-K318 PolarHBondContact O-N 3.34Å
317	P	40.6	Very low	53.3	Low	125 Å²	125	117.7 Å²	117.7	81%	0.812	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-49.5	117.1	-179.8	18.8	-30.1	0	0	0	108	K319	P317-K319 PolarHBondContact O-N 3.27Å
318	K	44.2	Very low	55.5	Low	181 Å²	181	116.4 Å²	116.4	79%	0.787	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-53.4	122.2	176.2	-80.7	-177.9	-177.6	176.2	0	105.8	P316 T320	P316-K318 PolarHBondContact O-N 3.34Å; K318-T320 PolarHBondContact O-N 3.01Å; K318-T320 VanDerWaalsContact O-N 3.16Å
319	K	44.8	Very low	57.8	Low	193 Å²	193	111.6 Å²	111.6	84%	0.839	59%	0.589	S	S	*	*			trans	-38.2	126.3	169.8	-75.4	179.4	175.3	-179.5	0	107.9	P317 R321	P317-K319 PolarHBondContact O-N 3.27Å; K319-R321 VanDerWaalsContact C-N 3.31Å; K319-R321 PolarHBondContact O-N 2.93Å
320	T	42.9	Very low	60.3	Low	146 Å²	146	113.1 Å²	113.1	90%	0.896	59%	0.59	S	S	*	*			trans	-48.8	98.4	178.1	-12.6	0	0	0	0	107.4	K318 I322	K318-T320 PolarHBondContact O-N 3.01Å; K318-T320 VanDerWaalsContact O-N 3.16Å; T320-I322 PolarHBondContact O-N 3.49Å
321	R	57.6	Low	62.8	Low	212 Å²	212	110.8 Å²	110.8	80%	0.8	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-66.5	133.4	169.8	-78.3	-176.7	175.8	-177.6	-3.5	104.5	K319 I323	K319-R321 VanDerWaalsContact C-N 3.31Å; K319-R321 PolarHBondContact O-N 2.93Å; R321-I323 WeakPolarHBondContact O-CG1 3.46Å; R321-I323 PolarHBondContact O-N 3.48Å; R321-I323 VanDerWaalsContact O-N 3.08Å
322	I	60.6	Low	65.4	Low	133 Å²	133	106.3 Å²	106.3	68%	0.682	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-57.9	117.4	165.9	-62.4	167.4	0	0	0	105	T320 Q501	T320-I322 PolarHBondContact O-N 3.49Å; I322-Q501 PolarHBondContact O-OE1 2.86Å; I322-Q501 VanDerWaalsContact O-OE1 3.07Å
323	I	72.1	Confident	68	Low	95 Å²	95	101.1 Å²	101.1	49%	0.487	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-96.5	119.5	178.1	-60.1	177.4	0	0	0	105.3	R321 Y504	R321-I323 WeakPolarHBondContact O-CG1 3.46Å; R321-I323 PolarHBondContact O-N 3.48Å; R321-I323 VanDerWaalsContact O-N 3.08Å; I323-Y504 HydrophobicContact CG2-CD2 3.75Å; I323-Y504 HydrophobicContact CG2-CG 4.22Å
324	S	85.1	Confident	70.5	Confident	21 Å²	21	97 Å²	97	15%	0.147	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	137	171	-63.3	0	0	0	0	109.8	Y503 Y504	S324-Y503 WeakPolarHBondContact O-CA 3.17Å; S324-Y504 PolarHBondContact O-N 3.43Å
325	H	88.8	Confident	73.3	Confident	37 Å²	37	91.2 Å²	91.2	17%	0.171	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	147	179.3	-62.9	-64.7	0	0	0	111.5	W327 E328 Y503 Y504 P507	H325-W327 PolarHBondContact O-N 3.14Å; H325-W327 VanDerWaalsContact O-N 3.15Å; H325-E328 IonicContact CD2-OE1 3.46Å; H325-E328 WeakPolarHBondContact O-CB 3.45Å; H325-E328 PolarHBondContact O-N 3.32Å; H325-Y503 WeakPolarHBondContact O-CD1 3.42Å; H325-Y504 WeakPolarHBondContact CA-O 3.25Å; H325-P507 VanDerWaalsContact CE1-CD 3.48Å; H325-P507 WeakPolarHBondContact CE1-CD 3.38Å
326	V	89.5	Confident	75.9	Confident	0 Å²	0	86.2 Å²	86.2	0%	0	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-58.5	-27.2	178.1	-70.5	0	0	0	0	113.2	E328 N329 I391 C392 F446 L452 Y504 Y505	V326-E328 PolarHBondContact O-N 3.35Å; V326-N329 WeakPolarHBondContact O-CB 3.4Å; V326-N329 PolarHBondContact O-N 2.9Å; V326-I391 HydrophobicContact CB-CG2 4.15Å; V326-I391 HydrophobicContact CG1-CG2 4.18Å; V326-C392 VanDerWaalsContact O-CA 3.29Å; V326-C392 WeakPolarHBondContact O-CA 3.35Å; V326-C392 WeakPolarHBondContact O-CB 3.19Å; V326-F446 HydrophobicContact CG1-CE1 3.78Å; V326-F446 HydrophobicContact CG1-CZ 4.13Å; V326-F446 HydrophobicContact CG2-CE1 4.42Å; V326-F446 HydrophobicContact CG2-CZ 4.37Å; V326-L452 HydrophobicContact CG1-CB 4.29Å; V326-L452 HydrophobicContact CG1-CD2 4.39Å; V326-Y504 PolarHBondContact N-O 3.26Å; V326-Y505 HydrophobicContact CG2-CD2 4.16Å
327	W	89.5	Confident	78.4	Confident	49 Å²	49	81.3 Å²	81.3	19%	0.186	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-64.8	-16.6	176	-70.1	-6.6	0	0	0	114.7	H325 N329 C392 P506 I511 K514 A589	H325-W327 PolarHBondContact O-N 3.14Å; H325-W327 VanDerWaalsContact O-N 3.15Å; W327-N329 VanDerWaalsContact C-N 3.28Å; W327-C392 PolarHBondContact NE1-O 2.86Å; W327-P506 HydrophobicContact CD2-CB 4.26Å; W327-P506 HydrophobicContact CD2-CG 3.31Å; W327-P506 VanDerWaalsContact CE2-CG 3.5Å; W327-P506 HydrophobicContact CE3-CB 4.08Å; W327-P506 HydrophobicContact CE3-CG 3.62Å; W327-P506 HydrophobicContact CG-CG 3.69Å; W327-P506 HydrophobicContact CH2-CG 4.3Å; W327-P506 HydrophobicContact CZ2-CG 4Å; W327-P506 HydrophobicContact CZ3-CB 4.2Å; W327-P506 HydrophobicContact CZ3-CG 4.09Å; W327-I511 HydrophobicContact CH2-CB 4.01Å; W327-I511 HydrophobicContact CH2-CG1 3.73Å; W327-I511 HydrophobicContact CH2-CG2 4.11Å; W327-I511 HydrophobicContact CZ2-CG1 4.19Å; W327-I511 HydrophobicContact CZ3-CG1 4.42Å; W327-K514 HydrophobicContact CH2-CB 3.97Å; W327-K514 HydrophobicContact CH2-CG 4.19Å; W327-K514 HydrophobicContact CZ3-CB 3.63Å; W327-K514 HydrophobicContact CZ3-CG 3.96Å; W327-A589 HydrophobicContact CH2-CB 4.45Å
328	E	88.1	Confident	81	Confident	122 Å²	122	77 Å²	77	57%	0.57	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-84.7	-5.1	175.2	-62.1	165.9	-165	0	0	112.2	H325 V326	H325-E328 IonicContact CD2-OE1 3.46Å; H325-E328 WeakPolarHBondContact O-CB 3.45Å; H325-E328 PolarHBondContact O-N 3.32Å; V326-E328 PolarHBondContact O-N 3.35Å
329	N	87.8	Confident	83.3	Confident	5 Å²	5	71.7 Å²	71.7	3%	0.027	35%	0.354	C	S	.	.			trans	-112.2	96.3	-171.6	-170.7	-4.3	0	0	0	112.2	V326 W327 N331 I391 C392 Y503	V326-N329 WeakPolarHBondContact O-CB 3.4Å; V326-N329 PolarHBondContact O-N 2.9Å; W327-N329 VanDerWaalsContact C-N 3.28Å; N329-N331 PolarHBondContact O-N 3.3Å; N329-N331 WeakPolarHBondContact OD1-CB 3.23Å; N329-N331 PolarHBondContact OD1-N 3.28Å; N329-N331 PolarHBondContact OD1-ND2 3Å; N329-I391 HydrophobicContact CB-CB 4.36Å; N329-I391 HydrophobicContact CB-CG2 4.1Å; N329-I391 WeakPolarHBondContact ND2-CD1 3.48Å; N329-C392 PolarHBondContact O-N 3.03Å; N329-C392 VanDerWaalsContact O-N 3.16Å; N329-Y503 HydrophobicContact CB-CE1 4.07Å
330	N	89.7	Confident	85.6	Confident	119 Å²	119	62.5 Å²	62.5	64%	0.636	31%	0.314	S	S	*	.			trans	-85.4	15.7	-179.6	-63.5	-11.5	0	0	0	114
331	N	91.3	Very high	87.9	Confident	99 Å²	99	57.1 Å²	57.1	53%	0.529	28%	0.28	S	S	.	.	S	Bend	trans	-80.4	151.6	176.8	-64	-56.9	0	0	0	110.9	N329 I391	N329-N331 PolarHBondContact O-N 3.3Å; N329-N331 WeakPolarHBondContact OD1-CB 3.23Å; N329-N331 PolarHBondContact OD1-N 3.28Å; N329-N331 PolarHBondContact OD1-ND2 3Å; N331-I391 HydrophobicContact CB-CD1 4.42Å; N331-I391 WeakPolarHBondContact O-CG1 3.3Å; N331-I391 PolarHBondContact O-N 2.85Å
332	P	93.8	Very high	89.2	Confident	59 Å²	59	50.9 Å²	50.9	38%	0.383	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	146.8	173.4	27.4	-34.7	0	0	0	111	Q334 E386	P332-Q334 PolarHBondContact O-N 3.16Å; P332-E386 HydrophobicContact CB-CG 4.43Å
333	F	95.4	Very high	90.1	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.018	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	125	174.7	179.9	-108.3	0	0	0	110.2	I335 L357 F387 I389 I391 L394 L400 V445 F495	F333-I335 HydrophobicContact CE1-CG2 4.06Å; F333-I335 HydrophobicContact CE2-CG2 4.47Å; F333-I335 HydrophobicContact CZ-CG2 3.76Å; F333-L357 HydrophobicContact CE1-CD1 4.3Å; F333-F387 HydrophobicContact CD1-CB 4.06Å; F333-F387 AromaticContact CD1-CD2 3.51Å; F333-F387 HydrophobicContact CD1-CD2 3.51Å; F333-F387 HydrophobicContact CD1-CE2 4.19Å; F333-F387 AromaticContact CD1-CG 3.93Å; F333-F387 HydrophobicContact CD1-CG 3.93Å; F333-F387 AromaticContact CE1-CD2 3.79Å; F333-F387 HydrophobicContact CE1-CD2 3.79Å; F333-F387 AromaticContact CE1-CE2 3.98Å; F333-F387 HydrophobicContact CE1-CE2 3.98Å; F333-F387 HydrophobicContact CE1-CG 4.43Å; F333-F387 PolarHBondContact O-N 2.95Å; F333-I389 HydrophobicContact CB-CG2 4.08Å; F333-I389 PolarHBondContact N-O 3.31Å; F333-I391 HydrophobicContact CB-CG1 4.18Å; F333-I391 HydrophobicContact CD2-CG1 4.3Å; F333-L394 HydrophobicContact CB-CD1 4.29Å; F333-L394 HydrophobicContact CD2-CD1 3.67Å; F333-L394 HydrophobicContact CE2-CD1 4.23Å; F333-L394 HydrophobicContact CG-CD1 4.04Å; F333-L394 HydrophobicContact CG-CD2 4.47Å; F333-L400 HydrophobicContact CE1-CD1 4.44Å; F333-V445 HydrophobicContact CE2-CG1 3.91Å; F333-V445 HydrophobicContact CZ-CG1 4.06Å; F333-V445 HydrophobicContact CZ-CG2 4.22Å; F333-F495 HydrophobicContact CE2-CD1 4.43Å; F333-F495 HydrophobicContact CE2-CE1 4.36Å; F333-F495 HydrophobicContact CZ-CD1 4.44Å; F333-F495 HydrophobicContact CZ-CE1 4.01Å
334	Q	94.9	Very high	90.4	Very high	68 Å²	68	45.5 Å²	45.5	32%	0.318	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	149	-178.2	-168.7	178.7	37.5	0	0	110	P332 P384 L385 E386 P496	P332-Q334 PolarHBondContact O-N 3.16Å; Q334-P384 HydrophobicContact CG-CB 4.47Å; Q334-P384 VanDerWaalsContact NE2-CB 3.33Å; Q334-L385 WeakPolarHBondContact CA-O 3.37Å; Q334-L385 WeakPolarHBondContact CG-O 3.35Å; Q334-E386 HydrophobicContact CG-CB 4.26Å; Q334-P496 WeakPolarHBondContact O-CD 3.43Å; Q334-P496 WeakPolarHBondContact O-CG 3.48Å
335	I	96.3	Very high	90	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	164.5	168.7	68	-175.9	0	0	0	109.2	F333 P384 L385 F387 L400 F402 F495	F333-I335 HydrophobicContact CE1-CG2 4.06Å; F333-I335 HydrophobicContact CE2-CG2 4.47Å; F333-I335 HydrophobicContact CZ-CG2 3.76Å; I335-P384 CarbonylContact O-C 3.57Å; I335-P384 WeakPolarHBondContact O-CA 3.15Å; I335-L385 HydrophobicContact CD1-CB 4.47Å; I335-L385 HydrophobicContact CD1-CD1 4.25Å; I335-L385 HydrophobicContact CG1-CB 3.9Å; I335-L385 HydrophobicContact CG1-CD1 4.37Å; I335-L385 HydrophobicContact CG1-CG 4.45Å; I335-L385 PolarHBondContact N-O 3.33Å; I335-L385 PolarHBondContact O-N 3.37Å; I335-F387 HydrophobicContact CD1-CE2 3.83Å; I335-F387 HydrophobicContact CD1-CZ 4.13Å; I335-F387 HydrophobicContact CG1-CE2 3.94Å; I335-L400 HydrophobicContact CD1-CD1 4.25Å; I335-L400 HydrophobicContact CD1-CD2 3.78Å; I335-L400 HydrophobicContact CD1-CG 4.48Å; I335-L400 HydrophobicContact CG2-CD2 4.25Å; I335-F402 HydrophobicContact CD1-CE1 3.77Å; I335-F402 HydrophobicContact CD1-CZ 3.59Å; I335-F495 HydrophobicContact CG2-CD1 4.06Å; I335-F495 HydrophobicContact CG2-CE1 4.09Å
336	V	96.9	Very high	89.3	Confident	39 Å²	39	49.4 Å²	49.4	24%	0.236	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	122.2	171.5	-177.4	0	0	0	0	109.4	V338 E383 I493 K494	V336-V338 HydrophobicContact CG1-CG2 4.37Å; V336-V338 PolarHBondContact O-N 2.93Å; V336-E383 WeakPolarHBondContact CA-O 3.1Å; V336-I493 CarbonylContact O-C 3.45Å; V336-I493 WeakPolarHBondContact O-CA 3.46Å; V336-K494 HydrophobicContact CB-CB 4.26Å; V336-K494 PolarHBondContact N-O 3.07Å; V336-K494 PolarHBondContact O-N 3.24Å
337	L	96.5	Very high	88.5	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	108.6	167.6	176.2	64.2	0	0	0	108.3	V353 W381 N382 E383 L385 I493	L337-V353 HydrophobicContact CD1-CG2 4.45Å; L337-V353 HydrophobicContact CD2-CB 3.81Å; L337-V353 HydrophobicContact CD2-CG1 4.37Å; L337-V353 HydrophobicContact CD2-CG2 3.85Å; L337-W381 HydrophobicContact CD2-CB 3.92Å; L337-W381 HydrophobicContact CD2-CD2 3.71Å; L337-W381 HydrophobicContact CD2-CE3 4.06Å; L337-W381 HydrophobicContact CD2-CG 3.64Å; L337-W381 HydrophobicContact CG-CB 3.97Å; L337-W381 HydrophobicContact CG-CD2 4.25Å; L337-W381 HydrophobicContact CG-CE3 4.22Å; L337-W381 HydrophobicContact CG-CG 4.16Å; L337-N382 CarbonylContact O-C 3.5Å; L337-N382 WeakPolarHBondContact O-CA 3.44Å; L337-N382 PolarHBondContact O-N 2.77Å; L337-E383 PolarHBondContact N-O 3.37Å; L337-E383 PolarHBondContact O-N 3.43Å; L337-L385 HydrophobicContact CB-CD1 4.08Å; L337-L385 HydrophobicContact CB-CG 4.33Å; L337-I493 HydrophobicContact CD1-CG2 4.28Å
338	V	95.4	Very high	87.8	Confident	35 Å²	35	59 Å²	59	21%	0.212	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-63.3	-173.6	-176.9	0	0	0	0	110.4	V336 I380 W381 N382 H492 K494	V336-V338 HydrophobicContact CG1-CG2 4.37Å; V336-V338 PolarHBondContact O-N 2.93Å; V338-I380 WeakPolarHBondContact O-CG2 3.5Å; V338-W381 PolarHBondContact O-N 2.85Å; V338-N382 PolarHBondContact O-N 3.25Å; V338-H492 HydrophobicContact CB-CB 4.1Å; V338-H492 WeakPolarHBondContact CB-O 3.48Å; V338-H492 PolarHBondContact N-O 2.95Å; V338-K494 HydrophobicContact CG2-CB 4.01Å
339	K	93.3	Very high	87.6	Confident	70 Å²	70	53.6 Å²	53.6	30%	0.304	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	163.2	-175.7	65.3	172.6	-175.8	173.5	0	112.1	H379 I380 H492	K339-H379 CarbonylContact C-O 3.49Å; K339-H379 WeakPolarHBondContact CA-O 3.32Å; K339-H379 WeakPolarHBondContact CB-O 3.23Å; K339-I380 HydrophobicContact CB-CB 4.4Å; K339-I380 HydrophobicContact CB-CG1 3.99Å; K339-H492 VanDerWaalsContact CE-CE1 3.44Å; K339-H492 WeakPolarHBondContact CE-CE1 3.41Å; K339-H492 WeakPolarHBondContact CE-NE2 3.38Å; K339-H492 HydrophobicContact CG-CB 3.62Å; K339-H492 PolarHBondContact N-O 3.09Å; K339-H492 PolarHBondContact O-N 3.46Å
340	G	91.9	Very high	87.6	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	139.6	169.1	0	0	0	0	0	110.1	D378 H379 A490	G340-D378 WeakPolarHBondContact O-CA 3.21Å; G340-H379 PolarHBondContact N-O 3.2Å; G340-H379 PolarHBondContact O-N 2.97Å; G340-A490 CarbonylContact C-O 3.35Å; G340-A490 VanDerWaalsContact CA-O 3.27Å; G340-A490 WeakPolarHBondContact CA-O 3.35Å
341	N	90.7	Very high	87.6	Confident	32 Å²	32	51.9 Å²	51.9	17%	0.171	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	151	-179.5	-45.8	-16	0	0	0	109.9	L343 N377 D378 T489 A490 H492	N341-L343 VanDerWaalsContact C-N 3.33Å; N341-L343 PolarHBondContact O-N 3.21Å; N341-N377 CarbonylContact C-O 3.42Å; N341-D378 WeakPolarHBondContact CA-OD1 3.37Å; N341-D378 WeakPolarHBondContact CB-OD1 3.16Å; N341-T489 WeakPolarHBondContact O-CA 3.38Å; N341-A490 PolarHBondContact N-O 3.46Å; N341-A490 PolarHBondContact O-N 2.94Å; N341-H492 PolarHBondContact ND2-NE2 3.5Å
342	K	86.4	Confident	87.6	Confident	81 Å²	81	47.4 Å²	47.4	35%	0.352	24%	0.243	S	C	.	.			trans	53.7	46.7	176.5	-52.8	173.8	-169.4	172.1	0	112.7	N344 N377 D378 T485 E486 T489	K342-N344 PolarHBondContact O-N 3.28Å; K342-N344 PolarHBondContact O-ND2 2.86Å; K342-N377 PolarHBondContact N-O 3.26Å; K342-D378 PolarHBondContact N-OD1 2.89Å; K342-T485 PolarHBondContact NZ-O 2.97Å; K342-E486 WeakPolarHBondContact CE-O 3.44Å; K342-E486 PolarHBondContact NZ-O 3.46Å; K342-T489 WeakPolarHBondContact O-CA 3.4Å; K342-T489 WeakPolarHBondContact O-CB 3.37Å; K342-T489 PolarHBondContact O-OG1 3.37Å
343	L	79.8	Confident	87.5	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	22%	0.224	C	C	.	.			trans	-68.4	-19.1	-178.7	-64.4	165.6	0	0	0	112.7	N341 T345 V351 N377 H379 W381 V404 V438 T489	N341-L343 VanDerWaalsContact C-N 3.33Å; N341-L343 PolarHBondContact O-N 3.21Å; L343-T345 VanDerWaalsContact C-N 3.25Å; L343-T345 HydrophobicContact CB-CG2 4.46Å; L343-T345 PolarHBondContact O-N 3.47Å; L343-V351 HydrophobicContact CD1-CG1 4.48Å; L343-N377 PolarHBondContact N-O 3.11Å; L343-H379 HydrophobicContact CD1-CB 4.32Å; L343-W381 HydrophobicContact CD1-CH2 4.03Å; L343-V404 HydrophobicContact CD2-CG1 3.78Å; L343-V404 HydrophobicContact CD2-CG2 4.29Å; L343-V438 WeakPolarHBondContact O-CG1 3.4Å; L343-T489 HydrophobicContact CD2-CG2 3.7Å
344	N	77.6	Confident	87.4	Confident	114 Å²	114	45.4 Å²	45.4	61%	0.61	23%	0.228	S	C	*	.			trans	54.1	38.3	176.1	-59.9	-31	0	0	0	113.6	K342	K342-N344 PolarHBondContact O-N 3.28Å; K342-N344 PolarHBondContact O-ND2 2.86Å
345	T	76.6	Confident	87.4	Confident	20 Å²	20	42.2 Å²	42.2	12%	0.123	21%	0.212	C	C	.	.			trans	-105	156	178.2	54.3	0	0	0	0	111.6	L343 V351 G375 A406 V438	L343-T345 VanDerWaalsContact C-N 3.25Å; L343-T345 HydrophobicContact CB-CG2 4.46Å; L343-T345 PolarHBondContact O-N 3.47Å; T345-V351 HydrophobicContact CG2-CG2 3.78Å; T345-G375 VanDerWaalsContact O-O 3.09Å; T345-G375 VanDerWaalsContact OG1-C 3.26Å; T345-G375 VanDerWaalsContact OG1-CA 3.29Å; T345-G375 WeakPolarHBondContact OG1-CA 3.32Å; T345-G375 PolarHBondContact OG1-O 3.34Å; T345-A406 HydrophobicContact CG2-CB 4.16Å; T345-V438 HydrophobicContact CG2-CG1 4.23Å; T345-V438 HydrophobicContact CG2-CG2 3.87Å
346	E	74.2	Confident	87.4	Confident	120 Å²	120	42.2 Å²	42.2	56%	0.561	21%	0.212	S	C	*	.			trans	-72.4	141.2	171	-66.6	-174.4	178.6	0	0	111	T348 V349 G375	E346-T348 PolarHBondContact O-N 3.48Å; E346-T348 VanDerWaalsContact O-N 3.13Å; E346-V349 HydrophobicContact CB-CG2 4.07Å; E346-V349 WeakPolarHBondContact O-CB 3.27Å; E346-V349 PolarHBondContact O-N 2.92Å; E346-G375 CarbonylContact C-O 3.47Å
347	E	72.4	Confident	87.4	Confident	132 Å²	132	40.3 Å²	40.3	62%	0.617	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-24.8	-176.1	-166.5	173.4	-157.7	0	0	113.4	V349 S374 K376	E347-V349 PolarHBondContact O-N 2.89Å; E347-S374 PolarHBondContact O-OG 3.49Å; E347-K376 HydrophobicContact CG-CG 4.43Å; E347-K376 WeakPolarHBondContact OE1-CE 3.15Å
348	T	74.9	Confident	87.4	Confident	118 Å²	118	40.5 Å²	40.5	72%	0.724	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-12.3	177.7	53.2	0	0	0	0	113.5	E346	E346-T348 PolarHBondContact O-N 3.48Å; E346-T348 VanDerWaalsContact O-N 3.13Å
349	V	83.8	Confident	87.4	Confident	10 Å²	10	39 Å²	39	6%	0.061	19%	0.193	C	C	.	.	S	Bend	trans	-100.6	146.3	-175.7	-174.3	0	0	0	0	109.9	E346 E347 G375 A406 V407 L408	E346-V349 HydrophobicContact CB-CG2 4.07Å; E346-V349 WeakPolarHBondContact O-CB 3.27Å; E346-V349 PolarHBondContact O-N 2.92Å; E347-V349 PolarHBondContact O-N 2.89Å; V349-G375 VanDerWaalsContact O-CA 3.28Å; V349-G375 WeakPolarHBondContact O-CA 3.35Å; V349-G375 PolarHBondContact O-N 2.78Å; V349-A406 HydrophobicContact CG1-CB 3.7Å; V349-V407 WeakPolarHBondContact CG1-O 3.44Å; V349-L408 HydrophobicContact CG1-CD1 4.48Å; V349-L408 HydrophobicContact CG1-CG 4.05Å; V349-L408 HydrophobicContact CG2-CD1 4.3Å; V349-L408 HydrophobicContact CG2-CD2 3.95Å; V349-L408 HydrophobicContact CG2-CG 4.07Å
350	K	88.2	Confident	87.3	Confident	88 Å²	88	35.9 Å²	35.9	38%	0.383	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	145.2	171.8	-68.3	-177.4	175.9	179.6	0	110.4	E372 V373 A406 V407	K350-E372 HydrophobicContact CD-CB 4.25Å; K350-E372 WeakPolarHBondContact CD-OE2 3.19Å; K350-E372 IonicContact NZ-OE2 3.09Å; K350-E372 PolarHBondContact NZ-OE2 2.9Å; K350-E372 VanDerWaalsContact NZ-OE2 3.09Å; K350-V373 CarbonylContact C-O 3.48Å; K350-V373 VanDerWaalsContact CA-O 3.22Å; K350-V373 WeakPolarHBondContact CA-O 3.4Å; K350-A406 CarbonylContact O-C 3.59Å; K350-A406 WeakPolarHBondContact O-CA 3.44Å; K350-V407 HydrophobicContact CB-CB 4.36Å; K350-V407 PolarHBondContact N-O 2.9Å; K350-V407 PolarHBondContact O-N 3.06Å
351	V	89.3	Confident	87	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	144.2	179.5	-179.6	0	0	0	0	109.6	L343 T345 E372 V373 W381 V404 Y405	L343-V351 HydrophobicContact CD1-CG1 4.48Å; T345-V351 HydrophobicContact CG2-CG2 3.78Å; V351-E372 WeakPolarHBondContact O-CA 3.41Å; V351-V373 HydrophobicContact CB-CG2 4.13Å; V351-V373 PolarHBondContact N-O 3.42Å; V351-V373 WeakPolarHBondContact O-CG2 3.24Å; V351-V373 PolarHBondContact O-N 2.96Å; V351-W381 HydrophobicContact CG1-CZ2 4.42Å; V351-V404 HydrophobicContact CG1-CG1 3.64Å; V351-Y405 CarbonylContact C-O 3.58Å; V351-Y405 VanDerWaalsContact CA-O 3.25Å; V351-Y405 WeakPolarHBondContact CA-O 3.43Å
352	H	90.9	Very high	87	Confident	4 Å²	4	39.9 Å²	39.9	2%	0.019	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	161.5	165.3	62.7	-104.1	0	0	0	110.5	V369 Y405 V407 H435	H352-V369 HydrophobicContact CB-CG1 4.22Å; H352-V369 VanDerWaalsContact CD2-CG1 3.49Å; H352-V369 WeakPolarHBondContact CD2-CG1 3.43Å; H352-Y405 PolarHBondContact N-O 3.25Å; H352-Y405 PolarHBondContact O-N 3.33Å; H352-V407 WeakPolarHBondContact CE1-CG2 3.37Å; H352-V407 WeakPolarHBondContact ND1-CG2 3.21Å; H352-H435 AromaticContact CE1-CE1 3.63Å; H352-H435 AromaticContact CE1-ND1 3.44Å; H352-H435 PolarHBondContact CE1-ND1 3.41Å; H352-H435 AromaticContact NE2-ND1 3.89Å
353	V	92.4	Very high	87.4	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.9	172.3	-177	0	0	0	0	108.1	L337 S370 W381 F402 A403 V404 L491	L337-V353 HydrophobicContact CD1-CG2 4.45Å; L337-V353 HydrophobicContact CD2-CB 3.81Å; L337-V353 HydrophobicContact CD2-CG1 4.37Å; L337-V353 HydrophobicContact CD2-CG2 3.85Å; V353-S370 PolarHBondContact N-OG 2.95Å; V353-S370 PolarHBondContact O-N 3.39Å; V353-S370 PolarHBondContact O-OG 3.05Å; V353-W381 HydrophobicContact CG2-CH2 3.86Å; V353-W381 HydrophobicContact CG2-CZ2 3.89Å; V353-W381 HydrophobicContact CG2-CZ3 4.26Å; V353-F402 HydrophobicContact CG1-CB 4.43Å; V353-F402 HydrophobicContact CG1-CD1 4Å; V353-A403 WeakPolarHBondContact CA-O 3.44Å; V353-V404 HydrophobicContact CG2-CG2 4.41Å; V353-L491 HydrophobicContact CG1-CD1 4.1Å; V353-L491 HydrophobicContact CG2-CD2 4.16Å
354	R	93.3	Very high	88.1	Confident	22 Å²	22	39.6 Å²	39.6	8%	0.083	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	137.2	166.4	-176.5	171.8	-73.7	177	10.7	108.8	I368 V369 F402 A403 M472 L473	R354-I368 WeakPolarHBondContact CA-O 2.9Å; R354-I368 WeakPolarHBondContact CG-O 3.36Å; R354-V369 HydrophobicContact CG-CG2 4.21Å; R354-F402 VanDerWaalsContact O-CA 3.3Å; R354-F402 WeakPolarHBondContact O-CA 3.42Å; R354-A403 PolarHBondContact N-O 2.97Å; R354-A403 PolarHBondContact O-N 3.46Å; R354-M472 VanDerWaalsContact CZ-SD 3.56Å; R354-M472 VanDerWaalsContact NH1-CB 3.28Å; R354-M472 PolarHBondContact NH1-SD 2.93Å; R354-M472 PolarHBondContact NH2-SD 2.96Å; R354-M472 VanDerWaalsContact NH2-SD 3.42Å; R354-L473 HydrophobicContact CB-CD2 4.35Å; R354-L473 HydrophobicContact CG-CD1 4.15Å; R354-L473 HydrophobicContact CG-CD2 4.19Å; R354-L473 HydrophobicContact CG-CG 4.21Å
355	A	95.4	Very high	88.9	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	142.7	174.8	0	0	0	0	0	110.1	T367 I368 L385 F387 C401 F402	A355-T367 CarbonylContact O-C 3.5Å; A355-T367 WeakPolarHBondContact O-CA 3.4Å; A355-I368 PolarHBondContact N-O 3.05Å; A355-I368 PolarHBondContact O-N 3.35Å; A355-L385 HydrophobicContact CB-CD1 3.99Å; A355-F387 HydrophobicContact CB-CE1 4.39Å; A355-F387 HydrophobicContact CB-CZ 3.97Å; A355-C401 CarbonylContact C-O 3.6Å; A355-C401 WeakPolarHBondContact CA-O 3.45Å; A355-F402 HydrophobicContact CB-CD1 3.7Å; A355-F402 HydrophobicContact CB-CE1 3.68Å
356	G	95.7	Very high	89.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	152.3	174.7	0	0	0	0	0	110.9	C401	G356-C401 PolarHBondContact N-O 3.06Å; G356-C401 PolarHBondContact O-N 3.31Å
357	L	96.8	Very high	90.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	125.2	178.2	-168.7	77.5	0	0	0	109.5	F333 L364 F387 I389 L394 A398 R399 L400 V445	F333-L357 HydrophobicContact CE1-CD1 4.3Å; L357-L364 HydrophobicContact CD2-CB 4.15Å; L357-L364 HydrophobicContact CD2-CD1 3.77Å; L357-L364 HydrophobicContact CG-CB 4.43Å; L357-L364 HydrophobicContact CG-CD1 3.92Å; L357-L364 PolarHBondContact O-N 3.08Å; L357-F387 HydrophobicContact CB-CD1 4.15Å; L357-F387 HydrophobicContact CB-CE1 4.32Å; L357-I389 HydrophobicContact CD2-CD1 4.26Å; L357-I389 HydrophobicContact CD2-CG2 3.86Å; L357-L394 HydrophobicContact CD2-CD2 3.42Å; L357-L394 VanDerWaalsContact CD2-CD2 3.42Å; L357-A398 HydrophobicContact CD1-CB 4.43Å; L357-R399 WeakPolarHBondContact CA-O 3.21Å; L357-R399 WeakPolarHBondContact CD1-O 3.2Å; L357-L400 HydrophobicContact CD1-CB 4.45Å; L357-L400 HydrophobicContact CD1-CD1 4.18Å; L357-V445 HydrophobicContact CD1-CG2 3.6Å
358	F	95.9	Very high	91.6	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.018	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	152	-171.6	-68.3	-98	0	0	0	112.4	E362 L363 R399 C401 L473 P475	F358-E362 CarbonylContact C-O 2.9Å; F358-E362 WeakPolarHBondContact CA-O 3.45Å; F358-L363 HydrophobicContact CD1-CB 4.29Å; F358-L363 HydrophobicContact CD1-CD1 4.24Å; F358-L363 HydrophobicContact CD2-CD1 4.29Å; F358-L363 HydrophobicContact CE1-CB 4.02Å; F358-L363 HydrophobicContact CE1-CD1 3.78Å; F358-L363 HydrophobicContact CE2-CD1 3.83Å; F358-L363 HydrophobicContact CG-CD1 4.49Å; F358-L363 HydrophobicContact CZ-CD1 3.56Å; F358-R399 PolarHBondContact N-O 3.46Å; F358-R399 PolarHBondContact O-N 3.39Å; F358-C401 HydrophobicContact CD2-CB 3.91Å; F358-C401 HydrophobicContact CE2-CB 3.99Å; F358-L473 HydrophobicContact CE2-CB 4.37Å; F358-L473 HydrophobicContact CE2-CD1 3.74Å; F358-L473 HydrophobicContact CZ-CB 4.3Å; F358-L473 HydrophobicContact CZ-CD1 4.03Å; F358-P475 HydrophobicContact CB-CB 4.23Å; F358-P475 HydrophobicContact CD1-CB 3.66Å; F358-P475 HydrophobicContact CD1-CG 4.06Å; F358-P475 HydrophobicContact CD2-CB 4.14Å; F358-P475 HydrophobicContact CE1-CB 3.95Å; F358-P475 HydrophobicContact CE1-CG 3.92Å; F358-P475 HydrophobicContact CE2-CB 4.41Å; F358-P475 HydrophobicContact CG-CB 3.75Å; F358-P475 HydrophobicContact CZ-CB 4.32Å; F358-P475 HydrophobicContact CZ-CG 4.35Å
359	H	95.6	Very high	92.5	Very high	3 Å²	3	31.2 Å²	31.2	1%	0.014	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	97.2	160.7	-174.8	90.6	0	0	0	107.8	T361 E362 L364 P395 W582 P615	H359-T361 PolarHBondContact O-N 2.92Å; H359-E362 PolarHBondContact N-O 3.21Å; H359-E362 PolarHBondContact O-N 2.96Å; H359-E362 VanDerWaalsContact O-N 3.11Å; H359-L364 HydrophobicContact CB-CD1 4.18Å; H359-L364 HydrophobicContact CB-CD2 3.84Å; H359-L364 HydrophobicContact CB-CG 4.14Å; H359-P395 HydrophobicContact CB-CG 4.3Å; H359-W582 HydrophobicContact CB-CB 4.24Å; H359-W582 HydrophobicContact CB-CG 4.5Å; H359-W582 AromaticContact CD2-CD1 3.77Å; H359-W582 AromaticContact CD2-CD2 3.5Å; H359-W582 VanDerWaalsContact CD2-CD2 3.5Å; H359-W582 AromaticContact CD2-CE2 3.69Å; H359-W582 AromaticContact CD2-CG 3.55Å; H359-W582 AromaticContact CD2-NE1 3.8Å; H359-W582 AromaticContact CE1-CD2 3.73Å; H359-W582 AromaticContact CE1-CE3 3.46Å; H359-W582 VanDerWaalsContact CE1-CE3 3.46Å; H359-W582 AromaticContact CE1-CZ3 3.73Å; H359-W582 AromaticContact CG-CG 3.95Å; H359-W582 AromaticContact NE2-CD2 3.29Å; H359-W582 VanDerWaalsContact NE2-CD2 3.29Å; H359-W582 AromaticContact NE2-CE2 3.39Å; H359-W582 AromaticContact NE2-CE3 3.46Å; H359-W582 AromaticContact NE2-CG 3.9Å; H359-W582 AromaticContact NE2-CH2 3.84Å; H359-W582 AromaticContact NE2-CZ2 3.68Å; H359-W582 AromaticContact NE2-CZ3 3.73Å; H359-W582 AromaticContact NE2-NE1 3.96Å; H359-P615 VanDerWaalsContact NE2-CG 3.31Å; H359-P615 WeakPolarHBondContact NE2-CG 3.25Å
360	G	90.4	Very high	92.9	Very high	4 Å²	4	31 Å²	31	4%	0.041	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	-116.7	-172.9	0	0	0	0	0	109.2	F612	G360-F612 WeakPolarHBondContact CA-O 3.29Å
361	T	86.9	Confident	93.1	Very high	52 Å²	52	29.7 Å²	29.7	32%	0.319	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-15.4	173.6	43.8	0	0	0	0	113.4	H359 M476 F612 N613	H359-T361 PolarHBondContact O-N 2.92Å; T361-M476 HydrophobicContact CG2-SD 3.8Å; T361-F612 HydrophobicContact CG2-CD2 3.5Å; T361-F612 VanDerWaalsContact CG2-CD2 3.5Å; T361-F612 HydrophobicContact CG2-CE2 3.75Å; T361-N613 PolarHBondContact OG1-OD1 2.93Å
362	E	91.3	Very high	93	Very high	64 Å²	64	33.4 Å²	33.4	30%	0.299	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	129.1	-179.4	-169.2	-166.9	173.1	0	0	111	F358 H359	F358-E362 CarbonylContact C-O 2.9Å; F358-E362 WeakPolarHBondContact CA-O 3.45Å; H359-E362 PolarHBondContact N-O 3.21Å; H359-E362 PolarHBondContact O-N 2.96Å; H359-E362 VanDerWaalsContact O-N 3.11Å
363	L	93.6	Very high	92.8	Very high	72 Å²	72	33.9 Å²	33.9	38%	0.377	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	115.9	171.5	-178.6	72.3	0	0	0	109.8	F358 C365 T367	F358-L363 HydrophobicContact CD1-CB 4.29Å; F358-L363 HydrophobicContact CD1-CD1 4.24Å; F358-L363 HydrophobicContact CD2-CD1 4.29Å; F358-L363 HydrophobicContact CE1-CB 4.02Å; F358-L363 HydrophobicContact CE1-CD1 3.78Å; F358-L363 HydrophobicContact CE2-CD1 3.83Å; F358-L363 HydrophobicContact CG-CD1 4.49Å; F358-L363 HydrophobicContact CZ-CD1 3.56Å; L363-C365 VanDerWaalsContact CD1-O 3.26Å; L363-C365 WeakPolarHBondContact CD1-O 3.29Å; L363-C365 WeakPolarHBondContact CD2-O 3.27Å; L363-C365 WeakPolarHBondContact CG-O 3.31Å; L363-T367 HydrophobicContact CD1-CG2 3.94Å; L363-T367 HydrophobicContact CD2-CG2 4.14Å
364	L	95.4	Very high	92.3	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.026	20%	0.199	C	C	.	.			trans	-74.2	-30.7	-174.4	-67.1	174.5	0	0	0	113.5	L357 H359 I389 P395 A398 W582 N583	L357-L364 HydrophobicContact CD2-CB 4.15Å; L357-L364 HydrophobicContact CD2-CD1 3.77Å; L357-L364 HydrophobicContact CG-CB 4.43Å; L357-L364 HydrophobicContact CG-CD1 3.92Å; L357-L364 PolarHBondContact O-N 3.08Å; H359-L364 HydrophobicContact CB-CD1 4.18Å; H359-L364 HydrophobicContact CB-CD2 3.84Å; H359-L364 HydrophobicContact CB-CG 4.14Å; L364-I389 HydrophobicContact CB-CD1 4.2Å; L364-P395 HydrophobicContact CD1-CG 3.74Å; L364-P395 HydrophobicContact CD2-CG 4.27Å; L364-A398 HydrophobicContact CD1-CB 4.29Å; L364-W582 HydrophobicContact CD2-CB 3.94Å; L364-N583 HydrophobicContact CB-CB 4.5Å; L364-N583 HydrophobicContact CD2-CB 4.06Å; L364-N583 PolarHBondContact O-ND2 3Å; L364-N583 VanDerWaalsContact O-ND2 3.14Å
365	C	94.1	Very high	91.3	Very high	13 Å²	13	35.6 Å²	35.6	9%	0.088	20%	0.195	C	C	.	.	S	Bend	trans	-155.4	166.9	178.4	67	0	0	0	0	110.6	L363 T367 D388 I389	L363-C365 VanDerWaalsContact CD1-O 3.26Å; L363-C365 WeakPolarHBondContact CD1-O 3.29Å; L363-C365 WeakPolarHBondContact CD2-O 3.27Å; L363-C365 WeakPolarHBondContact CG-O 3.31Å; C365-T367 PolarHBondContact O-N 2.65Å; C365-D388 HydrophobicContact CB-CB 4.45Å; C365-D388 WeakPolarHBondContact CB-O 3.12Å; C365-I389 HydrophobicContact CB-CB 4.4Å
366	K	93.2	Very high	90.3	Very high	164 Å²	164	40.8 Å²	40.8	71%	0.713	22%	0.218	S	C	*	.	P	Polyproline II helix	trans	-55.3	140	-178.1	-67.3	173.1	-175.2	160.8	0	112.2
367	T	92.7	Very high	89.3	Confident	56 Å²	56	45.2 Å²	45.2	34%	0.344	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-66.9	140.8	175.6	61.2	0	0	0	0	111.5	A355 L363 C365 L473	A355-T367 CarbonylContact O-C 3.5Å; A355-T367 WeakPolarHBondContact O-CA 3.4Å; L363-T367 HydrophobicContact CD1-CG2 3.94Å; L363-T367 HydrophobicContact CD2-CG2 4.14Å; C365-T367 PolarHBondContact O-N 2.65Å; T367-L473 HydrophobicContact CG2-CD1 3.89Å
368	I	93.9	Very high	88.6	Confident	32 Å²	32	49.9 Å²	49.9	16%	0.164	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	144	178.8	-52.6	168.6	0	0	0	109.1	R354 A355 L385 E386 F387	R354-I368 WeakPolarHBondContact CA-O 2.9Å; R354-I368 WeakPolarHBondContact CG-O 3.36Å; A355-I368 PolarHBondContact N-O 3.05Å; A355-I368 PolarHBondContact O-N 3.35Å; I368-L385 HydrophobicContact CD1-CB 4.12Å; I368-L385 HydrophobicContact CG2-CB 4.3Å; I368-L385 HydrophobicContact CG2-CD2 3.89Å; I368-E386 VanDerWaalsContact CD1-C 3.43Å; I368-E386 WeakPolarHBondContact CD1-O 3.19Å; I368-F387 HydrophobicContact CD1-CB 4.37Å; I368-F387 HydrophobicContact CD1-CD1 3.52Å; I368-F387 HydrophobicContact CD1-CD2 3.84Å; I368-F387 HydrophobicContact CD1-CE1 3.6Å; I368-F387 HydrophobicContact CD1-CE2 3.92Å; I368-F387 HydrophobicContact CD1-CG 3.64Å; I368-F387 HydrophobicContact CD1-CZ 3.8Å; I368-F387 HydrophobicContact CG1-CD1 4.23Å; I368-F387 HydrophobicContact CG1-CE1 4.22Å
369	V	92.6	Very high	88	Confident	62 Å²	62	52 Å²	52	38%	0.376	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	128.9	175.1	-178.4	0	0	0	0	108.2	H352 R354	H352-V369 HydrophobicContact CB-CG1 4.22Å; H352-V369 VanDerWaalsContact CD2-CG1 3.49Å; H352-V369 WeakPolarHBondContact CD2-CG1 3.43Å; R354-V369 HydrophobicContact CG-CG2 4.21Å
370	S	93.8	Very high	87.7	Confident	7 Å²	7	57.3 Å²	57.3	5%	0.049	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-68	168	176.1	76.8	0	0	0	0	111.7	V353 W381	V353-S370 PolarHBondContact N-OG 2.95Å; V353-S370 PolarHBondContact O-N 3.39Å; V353-S370 PolarHBondContact O-OG 3.05Å; S370-W381 PolarHBondContact OG-NE1 3.28Å
371	S	91.1	Very high	87.7	Confident	59 Å²	59	58.2 Å²	58.2	41%	0.413	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-54.2	144	165.6	51.2	0	0	0	0	112.8	W381 E383	S371-W381 PolarHBondContact O-NE1 3.47Å; S371-E383 WeakPolarHBondContact CB-OE2 3.31Å; S371-E383 PolarHBondContact N-OE1 3.44Å; S371-E383 PolarHBondContact N-OE2 3.48Å; S371-E383 PolarHBondContact OG-OE2 2.91Å
372	E	88.2	Confident	88	Confident	78 Å²	78	61.1 Å²	61.1	36%	0.364	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-76.4	129.4	175.4	-69.1	-176.9	171	0	0	110.5	K350 V351 K433	K350-E372 HydrophobicContact CD-CB 4.25Å; K350-E372 WeakPolarHBondContact CD-OE2 3.19Å; K350-E372 IonicContact NZ-OE2 3.09Å; K350-E372 PolarHBondContact NZ-OE2 2.9Å; K350-E372 VanDerWaalsContact NZ-OE2 3.09Å; V351-E372 WeakPolarHBondContact O-CA 3.41Å; E372-K433 IonicContact OE1-NZ 2.79Å; E372-K433 PolarHBondContact OE1-NZ 3.14Å; E372-K433 IonicContact OE2-NZ 3.33Å; E372-K433 PolarHBondContact OE2-NZ 3.08Å
373	V	86	Confident	88.2	Confident	15 Å²	15	60.1 Å²	60.1	9%	0.091	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	158.9	-176.5	-56.9	0	0	0	0	110.6	K350 V351 H379 W381	K350-V373 CarbonylContact C-O 3.48Å; K350-V373 VanDerWaalsContact CA-O 3.22Å; K350-V373 WeakPolarHBondContact CA-O 3.4Å; V351-V373 HydrophobicContact CB-CG2 4.13Å; V351-V373 PolarHBondContact N-O 3.42Å; V351-V373 WeakPolarHBondContact O-CG2 3.24Å; V351-V373 PolarHBondContact O-N 2.96Å; V373-H379 VanDerWaalsContact CB-NE2 3.33Å; V373-H379 WeakPolarHBondContact CB-NE2 3.43Å; V373-H379 VanDerWaalsContact CG1-CD2 3.43Å; V373-H379 WeakPolarHBondContact CG1-CD2 3.49Å; V373-H379 WeakPolarHBondContact CG1-NE2 3.22Å; V373-H379 HydrophobicContact CG2-CB 4.37Å; V373-W381 HydrophobicContact CG1-CZ2 4.42Å; V373-W381 VanDerWaalsContact CG1-NE1 3.33Å; V373-W381 HydrophobicContact CG2-CH2 4.15Å; V373-W381 HydrophobicContact CG2-CZ2 3.37Å
374	S	82.4	Confident	88.2	Confident	56 Å²	56	60.2 Å²	60.2	39%	0.392	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	140.2	174.9	168.6	0	0	0	0	110.3	E347 K376	E347-S374 PolarHBondContact O-OG 3.49Å; S374-K376 PolarHBondContact O-N 3.27Å
375	G	71.6	Confident	88.2	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.01	32%	0.319	C	S	.	.			trans	-71.2	49.1	-174.4	0	0	0	0	0	115.3	T345 E346 V349	T345-G375 VanDerWaalsContact O-O 3.09Å; T345-G375 VanDerWaalsContact OG1-C 3.26Å; T345-G375 VanDerWaalsContact OG1-CA 3.29Å; T345-G375 WeakPolarHBondContact OG1-CA 3.32Å; T345-G375 PolarHBondContact OG1-O 3.34Å; E346-G375 CarbonylContact C-O 3.47Å; V349-G375 VanDerWaalsContact O-CA 3.28Å; V349-G375 WeakPolarHBondContact O-CA 3.35Å; V349-G375 PolarHBondContact O-N 2.78Å
376	K	75.3	Confident	88.3	Confident	109 Å²	109	65.3 Å²	65.3	47%	0.474	34%	0.342	S	S	.	.			trans	-73.9	155.6	168.9	-64.2	-174.5	177.4	-175.2	0	110.2	E347 S374 D378	E347-K376 HydrophobicContact CG-CG 4.43Å; E347-K376 WeakPolarHBondContact OE1-CE 3.15Å; S374-K376 PolarHBondContact O-N 3.27Å; K376-D378 VanDerWaalsContact C-N 3.28Å; K376-D378 PolarHBondContact O-N 2.97Å
377	N	74.4	Confident	88.4	Confident	93 Å²	93	57.6 Å²	57.6	50%	0.497	31%	0.309	S	S	.	.	S	Bend	trans	-58	-40.3	179.5	-79.4	-19.2	0	0	0	112.9	N341 K342 L343	N341-N377 CarbonylContact C-O 3.42Å; K342-N377 PolarHBondContact N-O 3.26Å; L343-N377 PolarHBondContact N-O 3.11Å
378	D	81.5	Confident	88.6	Confident	98 Å²	98	61.2 Å²	61.2	52%	0.524	33%	0.326	S	S	.	.	S	Bend	trans	-120.8	135.3	177.4	-64.2	-17.4	0	0	0	110	G340 N341 K342 K376	G340-D378 WeakPolarHBondContact O-CA 3.21Å; N341-D378 WeakPolarHBondContact CA-OD1 3.37Å; N341-D378 WeakPolarHBondContact CB-OD1 3.16Å; K342-D378 PolarHBondContact N-OD1 2.89Å; K376-D378 VanDerWaalsContact C-N 3.28Å; K376-D378 PolarHBondContact O-N 2.97Å
379	H	83.4	Confident	88.7	Confident	48 Å²	48	60.4 Å²	60.4	22%	0.222	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	145.7	-178.8	-167	72.9	0	0	0	112.7	K339 G340 L343 V373 W381	K339-H379 CarbonylContact C-O 3.49Å; K339-H379 WeakPolarHBondContact CA-O 3.32Å; K339-H379 WeakPolarHBondContact CB-O 3.23Å; G340-H379 PolarHBondContact N-O 3.2Å; G340-H379 PolarHBondContact O-N 2.97Å; L343-H379 HydrophobicContact CD1-CB 4.32Å; V373-H379 VanDerWaalsContact CB-NE2 3.33Å; V373-H379 WeakPolarHBondContact CB-NE2 3.43Å; V373-H379 VanDerWaalsContact CG1-CD2 3.43Å; V373-H379 WeakPolarHBondContact CG1-CD2 3.49Å; V373-H379 WeakPolarHBondContact CG1-NE2 3.22Å; V373-H379 HydrophobicContact CG2-CB 4.37Å; H379-W381 HydrophobicContact CB-CH2 4.36Å; H379-W381 HydrophobicContact CB-CZ3 4.23Å; H379-W381 AromaticContact CD2-CD2 3.78Å; H379-W381 AromaticContact CD2-CE2 3.9Å; H379-W381 AromaticContact CD2-CE3 3.98Å
380	I	89.6	Confident	88.8	Confident	116 Å²	116	60.5 Å²	60.5	60%	0.595	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	117.7	178.9	-58.9	176.5	0	0	0	108.7	V338 K339 N382	V338-I380 WeakPolarHBondContact O-CG2 3.5Å; K339-I380 HydrophobicContact CB-CB 4.4Å; K339-I380 HydrophobicContact CB-CG1 3.99Å; I380-N382 HydrophobicContact CG2-CB 4.29Å
381	W	91.3	Very high	88.8	Confident	23 Å²	23	60.9 Å²	60.9	9%	0.087	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-47.5	173.9	-78.1	-89.2	0	0	0	111.6	L337 V338 L343 V351 V353 S370 S371 V373 H379 E383	L337-W381 HydrophobicContact CD2-CB 3.92Å; L337-W381 HydrophobicContact CD2-CD2 3.71Å; L337-W381 HydrophobicContact CD2-CE3 4.06Å; L337-W381 HydrophobicContact CD2-CG 3.64Å; L337-W381 HydrophobicContact CG-CB 3.97Å; L337-W381 HydrophobicContact CG-CD2 4.25Å; L337-W381 HydrophobicContact CG-CE3 4.22Å; L337-W381 HydrophobicContact CG-CG 4.16Å; V338-W381 PolarHBondContact O-N 2.85Å; L343-W381 HydrophobicContact CD1-CH2 4.03Å; V351-W381 HydrophobicContact CG1-CZ2 4.42Å; V353-W381 HydrophobicContact CG2-CH2 3.86Å; V353-W381 HydrophobicContact CG2-CZ2 3.89Å; V353-W381 HydrophobicContact CG2-CZ3 4.26Å; S370-W381 PolarHBondContact OG-NE1 3.28Å; S371-W381 PolarHBondContact O-NE1 3.47Å; V373-W381 HydrophobicContact CG1-CZ2 4.42Å; V373-W381 VanDerWaalsContact CG1-NE1 3.33Å; V373-W381 HydrophobicContact CG2-CH2 4.15Å; V373-W381 HydrophobicContact CG2-CZ2 3.37Å; H379-W381 HydrophobicContact CB-CH2 4.36Å; H379-W381 HydrophobicContact CB-CZ3 4.23Å; H379-W381 AromaticContact CD2-CD2 3.78Å; H379-W381 AromaticContact CD2-CE2 3.9Å; H379-W381 AromaticContact CD2-CE3 3.98Å; W381-E383 HydrophobicContact CB-CB 4.13Å; W381-E383 PolarHBondContact O-N 2.92Å
382	N	92.8	Very high	89	Confident	112 Å²	112	58.4 Å²	58.4	60%	0.599	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	44.5	45.4	-169.6	-163.4	43.7	0	0	0	113	L337 V338 I380	L337-N382 CarbonylContact O-C 3.5Å; L337-N382 WeakPolarHBondContact O-CA 3.44Å; L337-N382 PolarHBondContact O-N 2.77Å; V338-N382 PolarHBondContact O-N 3.25Å; I380-N382 HydrophobicContact CG2-CB 4.29Å
383	E	94.6	Very high	89.4	Confident	44 Å²	44	56.1 Å²	56.1	21%	0.206	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	124.9	-170.1	-175	177.3	165	0	0	110.4	V336 L337 S371 W381 L385	V336-E383 WeakPolarHBondContact CA-O 3.1Å; L337-E383 PolarHBondContact N-O 3.37Å; L337-E383 PolarHBondContact O-N 3.43Å; S371-E383 WeakPolarHBondContact CB-OE2 3.31Å; S371-E383 PolarHBondContact N-OE1 3.44Å; S371-E383 PolarHBondContact N-OE2 3.48Å; S371-E383 PolarHBondContact OG-OE2 2.91Å; W381-E383 HydrophobicContact CB-CB 4.13Å; W381-E383 PolarHBondContact O-N 2.92Å; E383-L385 HydrophobicContact CG-CD2 4.19Å; E383-L385 PolarHBondContact O-N 3.03Å
384	P	94.9	Very high	89.9	Confident	74 Å²	74	55.5 Å²	55.5	48%	0.481	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	126.5	170	26.4	-29.7	0	0	0	111	Q334 I335	Q334-P384 HydrophobicContact CG-CB 4.47Å; Q334-P384 VanDerWaalsContact NE2-CB 3.33Å; I335-P384 CarbonylContact O-C 3.57Å; I335-P384 WeakPolarHBondContact O-CA 3.15Å
385	L	95.8	Very high	90.5	Very high	2 Å²	2	53 Å²	53	1%	0.01	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	107.9	172.5	-51.8	-179.1	0	0	0	108.3	Q334 I335 L337 A355 I368 E383 F387	Q334-L385 WeakPolarHBondContact CA-O 3.37Å; Q334-L385 WeakPolarHBondContact CG-O 3.35Å; I335-L385 HydrophobicContact CD1-CB 4.47Å; I335-L385 HydrophobicContact CD1-CD1 4.25Å; I335-L385 HydrophobicContact CG1-CB 3.9Å; I335-L385 HydrophobicContact CG1-CD1 4.37Å; I335-L385 HydrophobicContact CG1-CG 4.45Å; I335-L385 PolarHBondContact N-O 3.33Å; I335-L385 PolarHBondContact O-N 3.37Å; L337-L385 HydrophobicContact CB-CD1 4.08Å; L337-L385 HydrophobicContact CB-CG 4.33Å; A355-L385 HydrophobicContact CB-CD1 3.99Å; I368-L385 HydrophobicContact CD1-CB 4.12Å; I368-L385 HydrophobicContact CG2-CB 4.3Å; I368-L385 HydrophobicContact CG2-CD2 3.89Å; E383-L385 HydrophobicContact CG-CD2 4.19Å; E383-L385 PolarHBondContact O-N 3.03Å; L385-F387 HydrophobicContact CB-CE2 4.38Å
386	E	95.6	Very high	91.7	Very high	123 Å²	123	53.4 Å²	53.4	58%	0.575	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	121.4	-178.9	-173.6	177.6	147.2	0	0	110.7	P332 Q334 I368	P332-E386 HydrophobicContact CB-CG 4.43Å; Q334-E386 HydrophobicContact CG-CB 4.26Å; I368-E386 VanDerWaalsContact CD1-C 3.43Å; I368-E386 WeakPolarHBondContact CD1-O 3.19Å
387	F	95.8	Very high	92.7	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.009	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	138.3	-179.7	-64	-95	0	0	0	110.1	F333 I335 A355 L357 I368 L385 I389 L400	F333-F387 HydrophobicContact CD1-CB 4.06Å; F333-F387 AromaticContact CD1-CD2 3.51Å; F333-F387 HydrophobicContact CD1-CD2 3.51Å; F333-F387 HydrophobicContact CD1-CE2 4.19Å; F333-F387 AromaticContact CD1-CG 3.93Å; F333-F387 HydrophobicContact CD1-CG 3.93Å; F333-F387 AromaticContact CE1-CD2 3.79Å; F333-F387 HydrophobicContact CE1-CD2 3.79Å; F333-F387 AromaticContact CE1-CE2 3.98Å; F333-F387 HydrophobicContact CE1-CE2 3.98Å; F333-F387 HydrophobicContact CE1-CG 4.43Å; F333-F387 PolarHBondContact O-N 2.95Å; I335-F387 HydrophobicContact CD1-CE2 3.83Å; I335-F387 HydrophobicContact CD1-CZ 4.13Å; I335-F387 HydrophobicContact CG1-CE2 3.94Å; A355-F387 HydrophobicContact CB-CE1 4.39Å; A355-F387 HydrophobicContact CB-CZ 3.97Å; L357-F387 HydrophobicContact CB-CD1 4.15Å; L357-F387 HydrophobicContact CB-CE1 4.32Å; I368-F387 HydrophobicContact CD1-CB 4.37Å; I368-F387 HydrophobicContact CD1-CD1 3.52Å; I368-F387 HydrophobicContact CD1-CD2 3.84Å; I368-F387 HydrophobicContact CD1-CE1 3.6Å; I368-F387 HydrophobicContact CD1-CE2 3.92Å; I368-F387 HydrophobicContact CD1-CG 3.64Å; I368-F387 HydrophobicContact CD1-CZ 3.8Å; I368-F387 HydrophobicContact CG1-CD1 4.23Å; I368-F387 HydrophobicContact CG1-CE1 4.22Å; L385-F387 HydrophobicContact CB-CE2 4.38Å; F387-I389 HydrophobicContact CB-CG2 3.92Å; F387-I389 PolarHBondContact O-N 2.9Å; F387-L400 HydrophobicContact CE1-CD1 4.13Å; F387-L400 HydrophobicContact CE2-CD1 4.09Å; F387-L400 HydrophobicContact CZ-CD1 3.54Å
388	D	95.4	Very high	93.8	Very high	132 Å²	132	44 Å²	44	71%	0.706	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	59.7	178.1	-167.8	19.8	0	0	0	110.8	C365	C365-D388 HydrophobicContact CB-CB 4.45Å; C365-D388 WeakPolarHBondContact CB-O 3.12Å
389	I	95.7	Very high	94.6	Very high	14 Å²	14	40.1 Å²	40.1	7%	0.072	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	137.9	177.8	-171.3	166.8	0	0	0	109.4	F333 L357 L364 C365 F387 D393 L394 N583	F333-I389 HydrophobicContact CB-CG2 4.08Å; F333-I389 PolarHBondContact N-O 3.31Å; L357-I389 HydrophobicContact CD2-CD1 4.26Å; L357-I389 HydrophobicContact CD2-CG2 3.86Å; L364-I389 HydrophobicContact CB-CD1 4.2Å; C365-I389 HydrophobicContact CB-CB 4.4Å; F387-I389 HydrophobicContact CB-CG2 3.92Å; F387-I389 PolarHBondContact O-N 2.9Å; I389-D393 HydrophobicContact CG1-CB 4.14Å; I389-L394 HydrophobicContact CD1-CD2 4.11Å; I389-L394 HydrophobicContact CG1-CD2 4.49Å; I389-L394 HydrophobicContact CG2-CD2 4.2Å; I389-N583 HydrophobicContact CD1-CB 3.88Å
390	N	95.7	Very high	95.2	Very high	65 Å²	65	37.9 Å²	37.9	35%	0.348	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	154.5	176.7	-60.6	-40.3	0	0	0	111.4	C392 D393	N390-C392 VanDerWaalsContact C-N 3.26Å; N390-C392 VanDerWaalsContact CB-SG 3.55Å; N390-C392 PolarHBondContact O-N 3.41Å; N390-D393 PolarHBondContact ND2-OD2 2.92Å; N390-D393 PolarHBondContact O-N 3.27Å; N390-D393 VanDerWaalsContact O-N 3.16Å
391	I	94.3	Very high	95.5	Very high	15 Å²	15	32.3 Å²	32.3	8%	0.077	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-61.9	-35.6	176.7	-68.1	169.6	0	0	0	111.7	V326 N329 N331 F333 D393 L394 L452	V326-I391 HydrophobicContact CB-CG2 4.15Å; V326-I391 HydrophobicContact CG1-CG2 4.18Å; N329-I391 HydrophobicContact CB-CB 4.36Å; N329-I391 HydrophobicContact CB-CG2 4.1Å; N329-I391 WeakPolarHBondContact ND2-CD1 3.48Å; N331-I391 HydrophobicContact CB-CD1 4.42Å; N331-I391 WeakPolarHBondContact O-CG1 3.3Å; N331-I391 PolarHBondContact O-N 2.85Å; F333-I391 HydrophobicContact CB-CG1 4.18Å; F333-I391 HydrophobicContact CD2-CG1 4.3Å; I391-D393 VanDerWaalsContact C-N 3.27Å; I391-D393 PolarHBondContact O-N 2.83Å; I391-L394 HydrophobicContact CB-CD1 4.46Å; I391-L394 HydrophobicContact CG1-CD1 4.49Å; I391-L394 HydrophobicContact CG2-CD1 4.43Å; I391-L394 WeakPolarHBondContact O-CB 3.36Å; I391-L394 PolarHBondContact O-N 3.25Å; I391-L452 HydrophobicContact CG2-CD2 3.98Å
392	C	94.4	Very high	95.7	Very high	7 Å²	7	31.3 Å²	31.3	5%	0.047	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-65.5	-27	177.3	54.6	0	0	0	0	113.9	V326 W327 N329 N390 L585	V326-C392 VanDerWaalsContact O-CA 3.29Å; V326-C392 WeakPolarHBondContact O-CA 3.35Å; V326-C392 WeakPolarHBondContact O-CB 3.19Å; W327-C392 PolarHBondContact NE1-O 2.86Å; N329-C392 PolarHBondContact O-N 3.03Å; N329-C392 VanDerWaalsContact O-N 3.16Å; N390-C392 VanDerWaalsContact C-N 3.26Å; N390-C392 VanDerWaalsContact CB-SG 3.55Å; N390-C392 PolarHBondContact O-N 3.41Å; C392-L585 HydrophobicContact CB-CD2 4.18Å
393	D	96.1	Very high	95.7	Very high	29 Å²	29	26 Å²	26	16%	0.155	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-90.5	-1.8	-178.7	-69	-48	0	0	0	113.5	I389 N390 I391 P395 N583 L585	I389-D393 HydrophobicContact CG1-CB 4.14Å; N390-D393 PolarHBondContact ND2-OD2 2.92Å; N390-D393 PolarHBondContact O-N 3.27Å; N390-D393 VanDerWaalsContact O-N 3.16Å; I391-D393 VanDerWaalsContact C-N 3.27Å; I391-D393 PolarHBondContact O-N 2.83Å; D393-P395 WeakPolarHBondContact O-CD 3.42Å; D393-N583 WeakPolarHBondContact CB-O 3.43Å; D393-L585 PolarHBondContact OD1-N 2.93Å
394	L	96.6	Very high	95.5	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.01	13%	0.126	C	C	.	.			trans	-68.9	122.9	179.4	-70.8	170.4	0	0	0	111.2	F333 L357 I389 I391 A398 V445 F446	F333-L394 HydrophobicContact CB-CD1 4.29Å; F333-L394 HydrophobicContact CD2-CD1 3.67Å; F333-L394 HydrophobicContact CE2-CD1 4.23Å; F333-L394 HydrophobicContact CG-CD1 4.04Å; F333-L394 HydrophobicContact CG-CD2 4.47Å; L357-L394 HydrophobicContact CD2-CD2 3.42Å; L357-L394 VanDerWaalsContact CD2-CD2 3.42Å; I389-L394 HydrophobicContact CD1-CD2 4.11Å; I389-L394 HydrophobicContact CG1-CD2 4.49Å; I389-L394 HydrophobicContact CG2-CD2 4.2Å; I391-L394 HydrophobicContact CB-CD1 4.46Å; I391-L394 HydrophobicContact CG1-CD1 4.49Å; I391-L394 HydrophobicContact CG2-CD1 4.43Å; I391-L394 WeakPolarHBondContact O-CB 3.36Å; I391-L394 PolarHBondContact O-N 3.25Å; L394-A398 HydrophobicContact CD2-CB 4.44Å; L394-V445 HydrophobicContact CD1-CG1 4.15Å; L394-F446 HydrophobicContact CB-CE2 4.07Å; L394-F446 HydrophobicContact CB-CZ 4.22Å
395	P	96.6	Very high	95.2	Very high	3 Å²	3	20.4 Å²	20.4	2%	0.019	10%	0.103	C	C	.	.			trans	-69.3	152.2	173.7	27.6	-33	0	0	0	111	H359 L364 D393 M397 A398 F446 W582	H359-P395 HydrophobicContact CB-CG 4.3Å; L364-P395 HydrophobicContact CD1-CG 3.74Å; L364-P395 HydrophobicContact CD2-CG 4.27Å; D393-P395 WeakPolarHBondContact O-CD 3.42Å; P395-M397 PolarHBondContact O-N 2.85Å; P395-A398 HydrophobicContact CG-CB 4.05Å; P395-A398 WeakPolarHBondContact O-CB 3.35Å; P395-A398 PolarHBondContact O-N 3.22Å; P395-F446 WeakPolarHBondContact O-CE2 3.4Å; P395-W582 HydrophobicContact CB-CE3 4.32Å
396	R	95.7	Very high	94.8	Very high	10 Å²	10	20.7 Å²	20.7	4%	0.038	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-36	-178.8	172.8	57.8	-172.6	94.7	-5.7	113.4	F446 D447 Y505	R396-F446 VanDerWaalsContact O-CD2 3.3Å; R396-F446 WeakPolarHBondContact O-CD2 3.2Å; R396-D447 PolarHBondContact NH1-O 3.44Å; R396-D447 PolarHBondContact NH2-O 3.35Å; R396-Y505 HydrophobicContact CB-CD1 3.88Å; R396-Y505 HydrophobicContact CB-CD2 3.91Å; R396-Y505 HydrophobicContact CB-CE1 3.69Å; R396-Y505 HydrophobicContact CB-CE2 3.75Å; R396-Y505 HydrophobicContact CB-CG 3.98Å; R396-Y505 HydrophobicContact CG-CD1 4.18Å; R396-Y505 HydrophobicContact CG-CE1 4.37Å; R396-Y505 HydrophobicContact CG-CG 4.31Å; R396-Y505 VanDerWaalsContact N-CE2 3.29Å
397	M	96.9	Very high	94.3	Very high	5 Å²	5	15.1 Å²	15.1	3%	0.025	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	20.5	-174.6	-55.8	-60	-89.7	0	0	112.5	P395 R399 M444 P615 Q617 P650 F651	P395-M397 PolarHBondContact O-N 2.85Å; M397-R399 PolarHBondContact O-N 3.39Å; M397-M444 HydrophobicContact CB-CE 4.25Å; M397-M444 WeakPolarHBondContact O-CE 3.34Å; M397-M444 HydrophobicContact SD-CE 4.27Å; M397-P615 HydrophobicContact CB-CB 4.45Å; M397-P615 WeakPolarHBondContact CE-O 3.2Å; M397-P615 WeakPolarHBondContact CG-O 3.16Å; M397-Q617 HydrophobicContact SD-CB 4.38Å; M397-P650 HydrophobicContact CE-CG 3.28Å; M397-P650 HydrophobicContact SD-CG 4.48Å; M397-F651 HydrophobicContact CE-CE2 4.38Å; M397-F651 HydrophobicContact SD-CE2 4.12Å
398	A	97.4	Very high	93.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.096	C	C	.	.			trans	-56.7	129.8	173.8	0	0	0	0	0	111.3	L357 L364 L394 P395 V445	L357-A398 HydrophobicContact CD1-CB 4.43Å; L364-A398 HydrophobicContact CD1-CB 4.29Å; L394-A398 HydrophobicContact CD2-CB 4.44Å; P395-A398 HydrophobicContact CG-CB 4.05Å; P395-A398 WeakPolarHBondContact O-CB 3.35Å; P395-A398 PolarHBondContact O-N 3.22Å; A398-V445 HydrophobicContact CB-CB 4.15Å; A398-V445 HydrophobicContact CB-CG2 4.02Å; A398-V445 PolarHBondContact O-N 3.34Å
399	R	97.1	Very high	92.6	Very high	17 Å²	17	16.5 Å²	16.5	6%	0.064	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	132.5	-177.5	-171.8	178.3	-64.6	168.7	-0.2	109.9	L357 F358 M397 N442 M444 P475 V479	L357-R399 WeakPolarHBondContact CA-O 3.21Å; L357-R399 WeakPolarHBondContact CD1-O 3.2Å; F358-R399 PolarHBondContact N-O 3.46Å; F358-R399 PolarHBondContact O-N 3.39Å; M397-R399 PolarHBondContact O-N 3.39Å; R399-N442 HydrophobicContact CG-CB 4.34Å; R399-M444 HydrophobicContact CB-SD 4.2Å; R399-M444 HydrophobicContact CG-SD 4.24Å; R399-P475 PolarHBondContact NH1-O 3.41Å; R399-V479 HydrophobicContact CG-CG1 3.98Å; R399-V479 VanDerWaalsContact NE-CG1 3.32Å
400	L	97.2	Very high	91	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	117.7	176.3	-172.2	64.7	0	0	0	108.7	F333 I335 L357 F387 F402 N442 T443 V445 I493 F495	F333-L400 HydrophobicContact CE1-CD1 4.44Å; I335-L400 HydrophobicContact CD1-CD1 4.25Å; I335-L400 HydrophobicContact CD1-CD2 3.78Å; I335-L400 HydrophobicContact CD1-CG 4.48Å; I335-L400 HydrophobicContact CG2-CD2 4.25Å; L357-L400 HydrophobicContact CD1-CB 4.45Å; L357-L400 HydrophobicContact CD1-CD1 4.18Å; F387-L400 HydrophobicContact CE1-CD1 4.13Å; F387-L400 HydrophobicContact CE2-CD1 4.09Å; F387-L400 HydrophobicContact CZ-CD1 3.54Å; L400-F402 HydrophobicContact CB-CE2 4.48Å; L400-F402 HydrophobicContact CD1-CZ 4.29Å; L400-F402 HydrophobicContact CD2-CE2 3.65Å; L400-F402 HydrophobicContact CD2-CZ 3.47Å; L400-F402 VanDerWaalsContact CD2-CZ 3.47Å; L400-F402 HydrophobicContact CG-CD2 4.48Å; L400-F402 HydrophobicContact CG-CE1 4.48Å; L400-F402 HydrophobicContact CG-CE2 3.59Å; L400-F402 HydrophobicContact CG-CZ 3.6Å; L400-N442 CarbonylContact O-C 3.54Å; L400-N442 WeakPolarHBondContact O-CA 3.39Å; L400-T443 HydrophobicContact CB-CG2 4.12Å; L400-T443 HydrophobicContact CD2-CG2 4.32Å; L400-T443 PolarHBondContact N-O 2.82Å; L400-T443 PolarHBondContact O-N 2.86Å; L400-V445 HydrophobicContact CB-CG2 4.17Å; L400-I493 HydrophobicContact CD2-CD1 4.34Å; L400-F495 HydrophobicContact CD2-CE1 4.34Å; L400-F495 HydrophobicContact CD2-CZ 3.95Å
401	C	96.1	Very high	88.8	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.9	-173	-58.5	0	0	0	0	110.1	A355 G356 F358 N442	A355-C401 CarbonylContact C-O 3.6Å; A355-C401 WeakPolarHBondContact CA-O 3.45Å; G356-C401 PolarHBondContact N-O 3.06Å; G356-C401 PolarHBondContact O-N 3.31Å; F358-C401 HydrophobicContact CD2-CB 3.91Å; F358-C401 HydrophobicContact CE2-CB 3.99Å; C401-N442 WeakPolarHBondContact CA-OD1 3.24Å; C401-N442 WeakPolarHBondContact CB-OD1 3.19Å
402	F	94.9	Very high	86.5	Confident	1 Å²	1	34.7 Å²	34.7	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	145.1	178.2	-59.2	-84.9	0	0	0	111.6	I335 V353 R354 A355 L400 W440 V441 L459 L491 I493	I335-F402 HydrophobicContact CD1-CE1 3.77Å; I335-F402 HydrophobicContact CD1-CZ 3.59Å; V353-F402 HydrophobicContact CG1-CB 4.43Å; V353-F402 HydrophobicContact CG1-CD1 4Å; R354-F402 VanDerWaalsContact O-CA 3.3Å; R354-F402 WeakPolarHBondContact O-CA 3.42Å; A355-F402 HydrophobicContact CB-CD1 3.7Å; A355-F402 HydrophobicContact CB-CE1 3.68Å; L400-F402 HydrophobicContact CB-CE2 4.48Å; L400-F402 HydrophobicContact CD1-CZ 4.29Å; L400-F402 HydrophobicContact CD2-CE2 3.65Å; L400-F402 HydrophobicContact CD2-CZ 3.47Å; L400-F402 VanDerWaalsContact CD2-CZ 3.47Å; L400-F402 HydrophobicContact CG-CD2 4.48Å; L400-F402 HydrophobicContact CG-CE1 4.48Å; L400-F402 HydrophobicContact CG-CE2 3.59Å; L400-F402 HydrophobicContact CG-CZ 3.6Å; F402-W440 CarbonylContact O-C 3.56Å; F402-W440 VanDerWaalsContact O-CA 3.23Å; F402-W440 WeakPolarHBondContact O-CA 3.25Å; F402-W440 WeakPolarHBondContact O-CB 3.5Å; F402-V441 HydrophobicContact CB-CG1 4.05Å; F402-V441 WeakPolarHBondContact CB-O 3.47Å; F402-V441 HydrophobicContact CD2-CG1 4.22Å; F402-V441 PolarHBondContact N-O 3.38Å; F402-V441 PolarHBondContact O-N 3.33Å; F402-L459 HydrophobicContact CD2-CD1 4Å; F402-L459 HydrophobicContact CE2-CD1 3.79Å; F402-L491 HydrophobicContact CB-CD1 3.92Å; F402-L491 HydrophobicContact CG-CD1 4.32Å; F402-I493 HydrophobicContact CE1-CG2 4.36Å; F402-I493 HydrophobicContact CE2-CD1 3.95Å; F402-I493 HydrophobicContact CE2-CG2 4.46Å; F402-I493 HydrophobicContact CZ-CD1 3.97Å; F402-I493 HydrophobicContact CZ-CG2 3.96Å
403	A	92.9	Very high	83.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	135.6	165.8	0	0	0	0	0	110.9	V353 R354 Y405 A439 W440 F465 L473	V353-A403 WeakPolarHBondContact CA-O 3.44Å; R354-A403 PolarHBondContact N-O 2.97Å; R354-A403 PolarHBondContact O-N 3.46Å; A403-Y405 HydrophobicContact CB-CD2 4.17Å; A403-Y405 HydrophobicContact CB-CE2 3.57Å; A403-A439 CarbonylContact C-O 3.48Å; A403-A439 WeakPolarHBondContact CA-O 3.36Å; A403-W440 HydrophobicContact CB-CB 4.38Å; A403-F465 HydrophobicContact CB-CE1 4.44Å; A403-L473 HydrophobicContact CB-CD2 3.69Å
404	V	90.5	Very high	80.9	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	126.9	173.6	-177.4	0	0	0	0	108.2	L343 V351 V353 V438 A439 L491	L343-V404 HydrophobicContact CD2-CG1 3.78Å; L343-V404 HydrophobicContact CD2-CG2 4.29Å; V351-V404 HydrophobicContact CG1-CG1 3.64Å; V353-V404 HydrophobicContact CG2-CG2 4.41Å; V404-V438 HydrophobicContact CB-CB 4.16Å; V404-V438 HydrophobicContact CG1-CB 3.98Å; V404-V438 HydrophobicContact CG1-CG1 4.33Å; V404-V438 HydrophobicContact CG1-CG2 4.39Å; V404-V438 WeakPolarHBondContact O-CB 3.47Å; V404-V438 PolarHBondContact O-N 2.9Å; V404-A439 PolarHBondContact N-O 3.33Å; V404-L491 HydrophobicContact CG2-CD1 4.11Å; V404-L491 HydrophobicContact CG2-CD2 4.06Å; V404-L491 HydrophobicContact CG2-CG 4.36Å
405	Y	88.2	Confident	78.3	Confident	1 Å²	1	58.7 Å²	58.7	0%	0.004	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	134.8	177.8	-80.9	-81.7	0	0	0	111.8	V351 H352 A403 H435 Y436 P437 M472	V351-Y405 CarbonylContact C-O 3.58Å; V351-Y405 VanDerWaalsContact CA-O 3.25Å; V351-Y405 WeakPolarHBondContact CA-O 3.43Å; H352-Y405 PolarHBondContact N-O 3.25Å; H352-Y405 PolarHBondContact O-N 3.33Å; A403-Y405 HydrophobicContact CB-CD2 4.17Å; A403-Y405 HydrophobicContact CB-CE2 3.57Å; Y405-H435 HydrophobicContact CD1-CB 3.83Å; Y405-H435 HydrophobicContact CE1-CB 4.36Å; Y405-Y436 WeakPolarHBondContact CA-O 3.46Å; Y405-Y436 WeakPolarHBondContact CD1-O 3.42Å; Y405-P437 HydrophobicContact CD1-CB 4.31Å; Y405-P437 HydrophobicContact CE1-CB 3.66Å; Y405-P437 HydrophobicContact CE1-CG 4.41Å; Y405-M472 HydrophobicContact CE2-CB 3.97Å; Y405-M472 WeakPolarHBondContact CE2-O 3.42Å; Y405-M472 WeakPolarHBondContact OH-CA 3.21Å; Y405-M472 WeakPolarHBondContact OH-CB 3.36Å; Y405-M472 PolarHBondContact OH-O 3.17Å
406	A	87.5	Confident	75.3	Confident	9 Å²	9	63.7 Å²	63.7	7%	0.074	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	133	165.2	0	0	0	0	0	109.3	T345 V349 K350 H435 Y436 V438	T345-A406 HydrophobicContact CG2-CB 4.16Å; V349-A406 HydrophobicContact CG1-CB 3.7Å; K350-A406 CarbonylContact O-C 3.59Å; K350-A406 WeakPolarHBondContact O-CA 3.44Å; A406-H435 CarbonylContact O-C 3.47Å; A406-H435 WeakPolarHBondContact O-CA 3.45Å; A406-Y436 PolarHBondContact N-O 2.69Å; A406-Y436 PolarHBondContact O-N 3.23Å; A406-V438 HydrophobicContact CB-CG2 3.72Å
407	V	84.9	Confident	72.6	Confident	5 Å²	5	70 Å²	70	3%	0.03	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	121.8	-169	-175.6	0	0	0	0	110.2	V349 K350 H352 K433 V434	V349-V407 WeakPolarHBondContact CG1-O 3.44Å; K350-V407 HydrophobicContact CB-CB 4.36Å; K350-V407 PolarHBondContact N-O 2.9Å; K350-V407 PolarHBondContact O-N 3.06Å; H352-V407 WeakPolarHBondContact CE1-CG2 3.37Å; H352-V407 WeakPolarHBondContact ND1-CG2 3.21Å; V407-K433 HydrophobicContact CG1-CB 3.99Å; V407-K433 HydrophobicContact CG1-CD 3.71Å; V407-K433 HydrophobicContact CG1-CG 4.22Å; V407-V434 WeakPolarHBondContact CA-O 3.42Å
408	L	81.4	Confident	69.7	Low	66 Å²	66	78.9 Å²	78.9	35%	0.346	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	132.2	178.4	-82.1	146.5	0	0	0	110.8	V349 V434 Y436	V349-L408 HydrophobicContact CG1-CD1 4.48Å; V349-L408 HydrophobicContact CG1-CG 4.05Å; V349-L408 HydrophobicContact CG2-CD1 4.3Å; V349-L408 HydrophobicContact CG2-CD2 3.95Å; V349-L408 HydrophobicContact CG2-CG 4.07Å; L408-V434 PolarHBondContact N-O 3.22Å; L408-V434 PolarHBondContact O-N 3.01Å; L408-Y436 HydrophobicContact CB-CE2 4.22Å; L408-Y436 HydrophobicContact CD1-CD2 3.67Å; L408-Y436 HydrophobicContact CD1-CE2 3.25Å; L408-Y436 HydrophobicContact CG-CE2 4.3Å
409	D	73.9	Confident	66.7	Low	97 Å²	97	85.4 Å²	85.4	52%	0.519	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	142.4	172.2	-72.1	-35.4	0	0	0	110.4	V411 K433	D409-V411 PolarHBondContact O-N 3.42Å; D409-K433 VanDerWaalsContact OD1-CE 3.23Å; D409-K433 WeakPolarHBondContact OD1-CE 3.37Å
410	K	61.8	Low	63.8	Low	154 Å²	154	91 Å²	91	67%	0.67	47%	0.468	S	S	*	.			trans	-70.8	98.2	179.5	-144.6	-180	-173.5	-179	0	109.9	K412 G432	K410-K412 PolarHBondContact O-N 2.98Å; K410-G432 WeakPolarHBondContact CB-O 3.3Å
411	V	51	Low	60.7	Low	131 Å²	131	97.2 Å²	97.2	79%	0.794	50%	0.502	S	S	*	.			trans	-68.9	116.3	171.7	-173.9	0	0	0	0	109	D409 T413	D409-V411 PolarHBondContact O-N 3.42Å; V411-T413 PolarHBondContact O-N 3.1Å
412	K	44.6	Very low	57.8	Low	192 Å²	192	103.2 Å²	103.2	84%	0.835	54%	0.541	S	S	*	.			trans	-75.5	111.5	163	-79.6	-176.1	178.5	176.6	0	108.4	K410	K410-K412 PolarHBondContact O-N 2.98Å
413	T	38.8	Very low	54.8	Low	122 Å²	122	106.9 Å²	106.9	75%	0.748	57%	0.567	S	S	*	*			trans	113.5	143.3	145.9	73.2	0	0	0	0	121	V411	V411-T413 PolarHBondContact O-N 3.1Å
414	K	35.7	Very low	52.4	Low	197 Å²	197	114.8 Å²	114.8	86%	0.857	60%	0.601	S	S	*	*			trans	72.3	123.8	162.2	-73	-178.6	179.2	177.5	0	119.5	S416	K414-S416 PolarHBondContact O-N 3.3Å
415	K	41.4	Very low	50.2	Low	222 Å²	222	120.3 Å²	120.3	97%	0.965	62%	0.623	S	S	*	*			trans	-34.7	105.2	169.2	-73.8	175.6	172.4	178.2	0	111.1
416	S	34.1	Very low	48.4	Very low	109 Å²	109	126.2 Å²	126.2	76%	0.762	65%	0.65	S	S	*	*			trans	-122.7	108.1	163.8	176.3	0	0	0	0	107.6	K414 K418	K414-S416 PolarHBondContact O-N 3.3Å; S416-K418 PolarHBondContact O-N 2.81Å
417	T	38.6	Very low	46.9	Very low	142 Å²	142	128 Å²	128	87%	0.871	66%	0.66	S	S	*	*			trans	-73.2	93.1	171.4	29.6	0	0	0	0	109.4
418	K	36.7	Very low	45.9	Very low	191 Å²	191	129.3 Å²	129.3	83%	0.83	67%	0.667	S	S	*	*			trans	-150.2	101	147.9	-102.5	177.3	-175.9	-178.3	0	107.3	S416 I420	S416-K418 PolarHBondContact O-N 2.81Å; K418-I420 PolarHBondContact O-N 3.24Å; K418-I420 VanDerWaalsContact O-N 3.13Å
419	T	34	Very low	45	Very low	138 Å²	138	135.5 Å²	135.5	85%	0.847	69%	0.686	S	S	*	*			trans	-60.4	101.4	179.8	25.6	0	0	0	0	111.3
420	I	35.1	Very low	44.5	Very low	133 Å²	133	136.7 Å²	136.7	68%	0.682	69%	0.686	S	S	*	*			trans	-70.7	121.4	145.6	-63.9	172.9	0	0	0	104.8	K418 P422	K418-I420 PolarHBondContact O-N 3.24Å; K418-I420 VanDerWaalsContact O-N 3.13Å; I420-P422 VanDerWaalsContact O-CD 3.26Å; I420-P422 WeakPolarHBondContact O-CD 3.36Å; I420-P422 VanDerWaalsContact O-N 3.09Å
421	N	31.7	Very low	44.4	Very low	131 Å²	131	134.3 Å²	134.3	70%	0.701	70%	0.695	S	S	*	*			trans	-50.6	117.9	174.2	-94	-22.7	0	0	0	108.8	S423	N421-S423 PolarHBondContact O-N 3.01Å
422	P	35.2	Very low	45.1	Very low	126 Å²	126	130.6 Å²	130.6	82%	0.818	68%	0.683	S	S	*	*			trans	-74.6	77.4	171.2	31	-30.5	0	0	0	107.4	I420 K424	I420-P422 VanDerWaalsContact O-CD 3.26Å; I420-P422 WeakPolarHBondContact O-CD 3.36Å; I420-P422 VanDerWaalsContact O-N 3.09Å; P422-K424 PolarHBondContact O-N 2.79Å
423	S	33.6	Very low	46.5	Very low	79 Å²	79	124 Å²	124	55%	0.552	66%	0.655	S	S	*	*			trans	-78	111.7	177.2	55.1	0	0	0	0	109.8	N421 Y425	N421-S423 PolarHBondContact O-N 3.01Å; S423-Y425 VanDerWaalsContact C-N 3.27Å; S423-Y425 WeakPolarHBondContact O-CD2 3.35Å; S423-Y425 PolarHBondContact O-N 3.09Å
424	K	41.2	Very low	48.4	Very low	165 Å²	165	119.3 Å²	119.3	72%	0.717	63%	0.626	S	S	*	*	S	Bend	trans	55.9	-22.4	142.6	-97.2	-173.7	167.9	-159.9	0	122.3	P422	P422-K424 PolarHBondContact O-N 2.79Å
425	Y	44.7	Very low	50.6	Low	116 Å²	116	110.8 Å²	110.8	46%	0.455	59%	0.589	S	S	.	*	P	Polyproline II helix	trans	-98.3	131.4	-173.8	-57.5	-72.4	0	0	0	112	S423 T427	S423-Y425 VanDerWaalsContact C-N 3.27Å; S423-Y425 WeakPolarHBondContact O-CD2 3.35Å; S423-Y425 PolarHBondContact O-N 3.09Å; Y425-T427 PolarHBondContact O-N 2.88Å
426	Q	51.5	Low	52.5	Low	125 Å²	125	104.7 Å²	104.7	58%	0.584	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-64.9	124.7	177.4	-157.7	174.5	16.1	0	0	109.6
427	T	55.6	Low	54.9	Low	46 Å²	46	100.8 Å²	100.8	28%	0.282	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-88.9	123.8	178.7	44.9	0	0	0	0	110	Y425 V434 Y436	Y425-T427 PolarHBondContact O-N 2.88Å; T427-V434 HydrophobicContact CG2-CG1 3.87Å; T427-Y436 HydrophobicContact CG2-CD1 3.59Å; T427-Y436 HydrophobicContact CG2-CE1 3.15Å; T427-Y436 HydrophobicContact CG2-CE2 4.27Å; T427-Y436 HydrophobicContact CG2-CG 4.33Å
428	I	62.8	Low	57.1	Low	33 Å²	33	95.5 Å²	95.5	17%	0.169	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	121.1	-178.6	-53.2	-179.8	0	0	0	108.3	H435 M472	I428-H435 HydrophobicContact CB-CB 4.4Å; I428-H435 PolarHBondContact N-O 3.41Å; I428-H435 PolarHBondContact O-N 3.43Å; I428-M472 HydrophobicContact CB-SD 4.47Å; I428-M472 HydrophobicContact CD1-CB 4.09Å; I428-M472 HydrophobicContact CD1-CG 3.57Å; I428-M472 HydrophobicContact CD1-SD 4.19Å; I428-M472 HydrophobicContact CG2-CE 3.87Å; I428-M472 HydrophobicContact CG2-CG 4.34Å; I428-M472 HydrophobicContact CG2-SD 3.93Å
429	R	64	Low	59.6	Low	197 Å²	197	86.4 Å²	86.4	74%	0.743	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	107.7	-178.9	-63.4	180	-177.3	177.5	1.3	109
430	K	62.3	Low	62.4	Low	122 Å²	122	80.6 Å²	80.6	53%	0.53	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	137.3	176.8	-163.4	169.9	-178.3	174.8	0	109.8	G432 K433 M472	K430-G432 PolarHBondContact O-N 2.95Å; K430-K433 PolarHBondContact N-O 3.36Å; K430-K433 PolarHBondContact O-N 3.14Å; K430-M472 HydrophobicContact CB-CE 4.42Å; K430-M472 HydrophobicContact CD-CE 3.51Å
431	A	59.8	Low	65.3	Low	104 Å²	104	74.2 Å²	74.2	86%	0.86	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	34.8	176.4	0	0	0	0	0	115.3	K433	A431-K433 VanDerWaalsContact C-N 3.29Å; A431-K433 PolarHBondContact O-N 3.05Å
432	G	64.9	Low	68.4	Low	52 Å²	52	68 Å²	68	54%	0.536	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	5.1	179.4	0	0	0	0	0	115.5	K410 K430	K410-G432 WeakPolarHBondContact CB-O 3.3Å; K430-G432 PolarHBondContact O-N 2.95Å
433	K	74.7	Confident	71.3	Confident	54 Å²	54	62.3 Å²	62.3	24%	0.235	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	155.1	172.7	-69.3	175.4	166.7	-177.9	0	111	E372 V407 D409 K430 A431	E372-K433 IonicContact OE1-NZ 2.79Å; E372-K433 PolarHBondContact OE1-NZ 3.14Å; E372-K433 IonicContact OE2-NZ 3.33Å; E372-K433 PolarHBondContact OE2-NZ 3.08Å; V407-K433 HydrophobicContact CG1-CB 3.99Å; V407-K433 HydrophobicContact CG1-CD 3.71Å; V407-K433 HydrophobicContact CG1-CG 4.22Å; D409-K433 VanDerWaalsContact OD1-CE 3.23Å; D409-K433 WeakPolarHBondContact OD1-CE 3.37Å; K430-K433 PolarHBondContact N-O 3.36Å; K430-K433 PolarHBondContact O-N 3.14Å; A431-K433 VanDerWaalsContact C-N 3.29Å; A431-K433 PolarHBondContact O-N 3.05Å
434	V	78.9	Confident	74.3	Confident	23 Å²	23	58.7 Å²	58.7	14%	0.139	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	122	175.1	-170.9	0	0	0	0	108.8	V407 L408 T427 Y436	V407-V434 WeakPolarHBondContact CA-O 3.42Å; L408-V434 PolarHBondContact N-O 3.22Å; L408-V434 PolarHBondContact O-N 3.01Å; T427-V434 HydrophobicContact CG2-CG1 3.87Å; V434-Y436 HydrophobicContact CB-CE2 3.86Å; V434-Y436 HydrophobicContact CG1-CD2 4.09Å; V434-Y436 HydrophobicContact CG1-CE2 3.35Å
435	H	81.4	Confident	77	Confident	18 Å²	18	50.9 Å²	50.9	8%	0.083	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	127	179.7	-62.3	-104.9	0	0	0	110	H352 Y405 A406 I428	H352-H435 AromaticContact CE1-CE1 3.63Å; H352-H435 AromaticContact CE1-ND1 3.44Å; H352-H435 PolarHBondContact CE1-ND1 3.41Å; H352-H435 AromaticContact NE2-ND1 3.89Å; Y405-H435 HydrophobicContact CD1-CB 3.83Å; Y405-H435 HydrophobicContact CE1-CB 4.36Å; A406-H435 CarbonylContact O-C 3.47Å; A406-H435 WeakPolarHBondContact O-CA 3.45Å; I428-H435 HydrophobicContact CB-CB 4.4Å; I428-H435 PolarHBondContact N-O 3.41Å; I428-H435 PolarHBondContact O-N 3.43Å
436	Y	81.4	Confident	79.5	Confident	95 Å²	95	45.3 Å²	45.3	37%	0.373	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	117.3	177.9	-67.3	-96.4	0	0	0	108.9	Y405 A406 L408 T427 V434 V438	Y405-Y436 WeakPolarHBondContact CA-O 3.46Å; Y405-Y436 WeakPolarHBondContact CD1-O 3.42Å; A406-Y436 PolarHBondContact N-O 2.69Å; A406-Y436 PolarHBondContact O-N 3.23Å; L408-Y436 HydrophobicContact CB-CE2 4.22Å; L408-Y436 HydrophobicContact CD1-CD2 3.67Å; L408-Y436 HydrophobicContact CD1-CE2 3.25Å; L408-Y436 HydrophobicContact CG-CE2 4.3Å; T427-Y436 HydrophobicContact CG2-CD1 3.59Å; T427-Y436 HydrophobicContact CG2-CE1 3.15Å; T427-Y436 HydrophobicContact CG2-CE2 4.27Å; T427-Y436 HydrophobicContact CG2-CG 4.33Å; V434-Y436 HydrophobicContact CB-CE2 3.86Å; V434-Y436 HydrophobicContact CG1-CD2 4.09Å; V434-Y436 HydrophobicContact CG1-CE2 3.35Å; Y436-V438 PolarHBondContact O-N 3.03Å
437	P	83.9	Confident	81.6	Confident	26 Å²	26	40.8 Å²	40.8	17%	0.169	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	131	177	29.4	-33.6	0	0	0	110	Y405 F465	Y405-P437 HydrophobicContact CD1-CB 4.31Å; Y405-P437 HydrophobicContact CE1-CB 3.66Å; Y405-P437 HydrophobicContact CE1-CG 4.41Å; P437-F465 HydrophobicContact CB-CD1 3.96Å; P437-F465 HydrophobicContact CB-CD2 3.77Å; P437-F465 HydrophobicContact CB-CE1 3.73Å; P437-F465 HydrophobicContact CB-CE2 3.59Å; P437-F465 HydrophobicContact CB-CG 3.95Å; P437-F465 HydrophobicContact CB-CZ 3.53Å; P437-F465 HydrophobicContact CG-CD2 4.26Å; P437-F465 HydrophobicContact CG-CE2 4.49Å; P437-F465 HydrophobicContact CG-CG 4.37Å
438	V	85.4	Confident	83.4	Confident	31 Å²	31	41 Å²	41	19%	0.188	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-54.8	-176.4	177.6	0	0	0	0	110.9	L343 T345 V404 A406 Y436	L343-V438 WeakPolarHBondContact O-CG1 3.4Å; T345-V438 HydrophobicContact CG2-CG1 4.23Å; T345-V438 HydrophobicContact CG2-CG2 3.87Å; V404-V438 HydrophobicContact CB-CB 4.16Å; V404-V438 HydrophobicContact CG1-CB 3.98Å; V404-V438 HydrophobicContact CG1-CG1 4.33Å; V404-V438 HydrophobicContact CG1-CG2 4.39Å; V404-V438 WeakPolarHBondContact O-CB 3.47Å; V404-V438 PolarHBondContact O-N 2.9Å; A406-V438 HydrophobicContact CB-CG2 3.72Å; Y436-V438 PolarHBondContact O-N 3.03Å
439	A	90.2	Very high	84.9	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.008	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	155.2	177.5	0	0	0	0	0	110.8	A403 V404 W462 F465 T489	A403-A439 CarbonylContact C-O 3.48Å; A403-A439 WeakPolarHBondContact CA-O 3.36Å; V404-A439 PolarHBondContact N-O 3.33Å; A439-W462 CarbonylContact C-O 3.54Å; A439-W462 WeakPolarHBondContact CA-O 3.49Å; A439-F465 WeakPolarHBondContact O-CZ 3.3Å; A439-T489 HydrophobicContact CB-CG2 4.18Å
440	W	93.1	Very high	86.3	Confident	15 Å²	15	36.5 Å²	36.5	6%	0.057	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	154.5	174.2	65.5	-88	0	0	0	111	F402 A403 S461 W462 S464 F465 N474 G477 T478	F402-W440 CarbonylContact O-C 3.56Å; F402-W440 VanDerWaalsContact O-CA 3.23Å; F402-W440 WeakPolarHBondContact O-CA 3.25Å; F402-W440 WeakPolarHBondContact O-CB 3.5Å; A403-W440 HydrophobicContact CB-CB 4.38Å; W440-S461 WeakPolarHBondContact O-CA 3.49Å; W440-S461 WeakPolarHBondContact O-CB 3.34Å; W440-W462 HydrophobicContact CD2-CB 4.2Å; W440-W462 HydrophobicContact CH2-CB 4.34Å; W440-W462 AromaticContact CH2-CD1 3.62Å; W440-W462 HydrophobicContact CH2-CG 4.09Å; W440-W462 HydrophobicContact CZ2-CB 3.71Å; W440-W462 AromaticContact CZ2-CD1 3.89Å; W440-W462 AromaticContact CZ2-CG 3.89Å; W440-W462 HydrophobicContact CZ2-CG 3.89Å; W440-W462 AromaticContact CZ3-CD1 3.88Å; W440-W462 PolarHBondContact N-O 2.93Å; W440-W462 PolarHBondContact O-N 3.01Å; W440-S464 PolarHBondContact NE1-O 3.43Å; W440-F465 HydrophobicContact CB-CD1 4.46Å; W440-F465 HydrophobicContact CB-CE1 3.67Å; W440-F465 HydrophobicContact CB-CZ 3.94Å; W440-F465 AromaticContact CD1-CD1 3.58Å; W440-F465 AromaticContact CD1-CE1 3.52Å; W440-F465 AromaticContact CD1-CG 3.95Å; W440-F465 AromaticContact CD1-CZ 3.78Å; W440-F465 HydrophobicContact CG-CD1 4.28Å; W440-F465 AromaticContact CG-CE1 3.93Å; W440-F465 HydrophobicContact CG-CE1 3.93Å; W440-F465 HydrophobicContact CG-CZ 4.28Å; W440-N474 HydrophobicContact CD2-CB 4.11Å; W440-N474 VanDerWaalsContact CE2-ND2 3.29Å; W440-N474 HydrophobicContact CE3-CB 4.33Å; W440-N474 HydrophobicContact CG-CB 4.26Å; W440-N474 WeakPolarHBondContact CZ2-ND2 3.42Å; W440-G477 VanDerWaalsContact CH2-CA 3.43Å; W440-T478 HydrophobicContact CH2-CG2 4.13Å
441	V	95.5	Very high	87.9	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	138.2	174.4	66	0	0	0	0	110.2	F402 L459 T481 L491	F402-V441 HydrophobicContact CB-CG1 4.05Å; F402-V441 WeakPolarHBondContact CB-O 3.47Å; F402-V441 HydrophobicContact CD2-CG1 4.22Å; F402-V441 PolarHBondContact N-O 3.38Å; F402-V441 PolarHBondContact O-N 3.33Å; V441-L459 HydrophobicContact CB-CB 4.4Å; V441-L459 HydrophobicContact CG1-CB 3.79Å; V441-L459 HydrophobicContact CG1-CD1 4.08Å; V441-L459 HydrophobicContact CG2-CB 3.8Å; V441-T481 HydrophobicContact CG2-CG2 4.41Å; V441-L491 HydrophobicContact CG1-CD1 4.07Å
442	N	95.6	Very high	89.5	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	152.1	177.4	-59	-20	0	0	0	109.6	R399 L400 C401 N474 G477 V479	R399-N442 HydrophobicContact CG-CB 4.34Å; L400-N442 CarbonylContact O-C 3.54Å; L400-N442 WeakPolarHBondContact O-CA 3.39Å; C401-N442 WeakPolarHBondContact CA-OD1 3.24Å; C401-N442 WeakPolarHBondContact CB-OD1 3.19Å; N442-N474 PolarHBondContact ND2-O 3.47Å; N442-G477 PolarHBondContact ND2-O 3.18Å; N442-V479 HydrophobicContact CB-CG1 4.21Å
443	T	96.9	Very high	90.9	Very high	6 Å²	6	29.2 Å²	29.2	4%	0.037	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	151.3	171.8	-166.4	0	0	0	0	110.3	L400 L459 I493	L400-T443 HydrophobicContact CB-CG2 4.12Å; L400-T443 HydrophobicContact CD2-CG2 4.32Å; L400-T443 PolarHBondContact N-O 2.82Å; L400-T443 PolarHBondContact O-N 2.86Å; T443-L459 HydrophobicContact CG2-CD1 4.01Å; T443-L459 HydrophobicContact CG2-CD2 4.36Å; T443-I493 HydrophobicContact CG2-CD1 4.43Å
444	M	97.4	Very high	91.7	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.02	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	139.2	175.3	-62.6	-60.3	-69.6	0	0	110.3	M397 R399 F446 R453 V479 P650 F651	M397-M444 HydrophobicContact CB-CE 4.25Å; M397-M444 WeakPolarHBondContact O-CE 3.34Å; M397-M444 HydrophobicContact SD-CE 4.27Å; R399-M444 HydrophobicContact CB-SD 4.2Å; R399-M444 HydrophobicContact CG-SD 4.24Å; M444-F446 VanDerWaalsContact C-N 3.27Å; M444-F446 WeakPolarHBondContact CB-O 3.48Å; M444-F446 PolarHBondContact O-N 2.84Å; M444-R453 WeakPolarHBondContact O-CD 3.18Å; M444-R453 PolarHBondContact O-NE 2.76Å; M444-R453 VanDerWaalsContact O-NE 3.09Å; M444-V479 HydrophobicContact CG-CB 4.21Å; M444-V479 HydrophobicContact CG-CG1 4.11Å; M444-V479 HydrophobicContact CG-CG2 4.14Å; M444-V479 HydrophobicContact SD-CG1 3.79Å; M444-P650 HydrophobicContact CE-CB 3.93Å; M444-P650 HydrophobicContact CE-CG 4Å; M444-P650 HydrophobicContact CG-CB 3.75Å; M444-P650 HydrophobicContact SD-CB 3.63Å; M444-P650 HydrophobicContact SD-CG 4.33Å; M444-F651 HydrophobicContact CB-CZ 4.31Å; M444-F651 HydrophobicContact CG-CE1 4.46Å; M444-F651 HydrophobicContact CG-CZ 4.22Å
445	V	97.2	Very high	92.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	-67.5	-32.9	176	176	0	0	0	0	111.4	F333 L357 L394 A398 L400 L452 R453	F333-V445 HydrophobicContact CE2-CG1 3.91Å; F333-V445 HydrophobicContact CZ-CG1 4.06Å; F333-V445 HydrophobicContact CZ-CG2 4.22Å; L357-V445 HydrophobicContact CD1-CG2 3.6Å; L394-V445 HydrophobicContact CD1-CG1 4.15Å; A398-V445 HydrophobicContact CB-CB 4.15Å; A398-V445 HydrophobicContact CB-CG2 4.02Å; A398-V445 PolarHBondContact O-N 3.34Å; L400-V445 HydrophobicContact CB-CG2 4.17Å; V445-L452 HydrophobicContact CG1-CD1 3.52Å; V445-R453 WeakPolarHBondContact O-CB 3.42Å; V445-R453 WeakPolarHBondContact O-CG 3.46Å; V445-R453 PolarHBondContact O-N 3.17Å
446	F	96.8	Very high	93	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-105.9	148.6	174.7	-64.3	-89.7	0	0	0	110.9	V326 L394 P395 R396 M444 Q451 L452 Y505 F651	V326-F446 HydrophobicContact CG1-CE1 3.78Å; V326-F446 HydrophobicContact CG1-CZ 4.13Å; V326-F446 HydrophobicContact CG2-CE1 4.42Å; V326-F446 HydrophobicContact CG2-CZ 4.37Å; L394-F446 HydrophobicContact CB-CE2 4.07Å; L394-F446 HydrophobicContact CB-CZ 4.22Å; P395-F446 WeakPolarHBondContact O-CE2 3.4Å; R396-F446 VanDerWaalsContact O-CD2 3.3Å; R396-F446 WeakPolarHBondContact O-CD2 3.2Å; M444-F446 VanDerWaalsContact C-N 3.27Å; M444-F446 WeakPolarHBondContact CB-O 3.48Å; M444-F446 PolarHBondContact O-N 2.84Å; F446-Q451 CarbonylContact C-O 3.59Å; F446-Q451 VanDerWaalsContact CA-O 3.28Å; F446-Q451 WeakPolarHBondContact CA-O 3.44Å; F446-L452 HydrophobicContact CD1-CB 4.36Å; F446-L452 HydrophobicContact CE1-CB 4.19Å; F446-L452 HydrophobicContact CE1-CD1 4.22Å; F446-L452 HydrophobicContact CZ-CD1 4.34Å; F446-Y505 HydrophobicContact CE1-CD2 4.12Å; F446-Y505 HydrophobicContact CE2-CD2 4.43Å; F446-Y505 AromaticContact CZ-CD2 3.95Å; F446-Y505 HydrophobicContact CZ-CD2 3.95Å; F446-F651 WeakPolarHBondContact O-CZ 3.43Å
447	D	95.3	Very high	93.6	Very high	29 Å²	29	30 Å²	30	16%	0.155	15%	0.151	C	C	.	.			trans	-82.9	-176.6	173.4	77.2	7.5	0	0	0	112.9	R396 K449 G450 Q451 F651	R396-D447 PolarHBondContact NH1-O 3.44Å; R396-D447 PolarHBondContact NH2-O 3.35Å; D447-K449 PolarHBondContact O-N 3.48Å; D447-K449 WeakPolarHBondContact OD1-CA 3.4Å; D447-K449 PolarHBondContact OD1-N 2.77Å; D447-G450 PolarHBondContact O-N 3.31Å; D447-G450 PolarHBondContact OD1-N 3.47Å; D447-G450 VanDerWaalsContact OD1-N 3.08Å; D447-Q451 PolarHBondContact N-O 3.47Å; D447-Q451 WeakPolarHBondContact OD1-CB 3.37Å; D447-Q451 PolarHBondContact OD1-N 2.67Å; D447-Q451 WeakPolarHBondContact OD2-CB 3.28Å; D447-F651 VanDerWaalsContact C-CE1 3.41Å; D447-F651 VanDerWaalsContact O-CZ 3.29Å; D447-F651 WeakPolarHBondContact O-CZ 3.46Å
448	F	94.7	Very high	94.2	Very high	50 Å²	50	32.9 Å²	32.9	22%	0.219	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-16.7	-178.6	74.7	-81.7	0	0	0	114.2	P143 E144 E147 F651	P143-F448 HydrophobicContact CB-CE1 4.33Å; P143-F448 HydrophobicContact CB-CZ 4.37Å; P143-F448 HydrophobicContact CG-CE1 4.24Å; E144-F448 HydrophobicContact CB-CB 4.41Å; E144-F448 HydrophobicContact CB-CD1 3.72Å; E144-F448 HydrophobicContact CB-CD2 4.42Å; E144-F448 HydrophobicContact CB-CE1 3.99Å; E144-F448 HydrophobicContact CB-CG 3.95Å; E144-F448 HydrophobicContact CB-CZ 4.42Å; E144-F448 HydrophobicContact CG-CB 3.8Å; E144-F448 HydrophobicContact CG-CD1 4.05Å; E144-F448 HydrophobicContact CG-CD2 4.15Å; E144-F448 HydrophobicContact CG-CG 3.76Å; E147-F448 HydrophobicContact CB-CE2 4.27Å; E147-F448 HydrophobicContact CG-CE2 4.29Å; F448-F651 HydrophobicContact CB-CD1 3.63Å; F448-F651 HydrophobicContact CB-CE1 4.06Å; F448-F651 HydrophobicContact CB-CG 4.19Å; F448-F651 VanDerWaalsContact N-CE1 3.33Å
449	K	93.6	Very high	94.7	Very high	131 Å²	131	31.5 Å²	31.5	57%	0.57	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97	1.6	174.3	-67.8	-179.1	175.8	169.4	0	112.5	D447 Q451	D447-K449 PolarHBondContact O-N 3.48Å; D447-K449 WeakPolarHBondContact OD1-CA 3.4Å; D447-K449 PolarHBondContact OD1-N 2.77Å; K449-Q451 VanDerWaalsContact C-N 3.3Å
450	G	94.3	Very high	94.9	Very high	5 Å²	5	33.1 Å²	33.1	5%	0.052	16%	0.164	C	C	.	.	S	Bend	trans	75.6	17.6	-174.8	0	0	0	0	0	113.3	D447 Y504 Y505	D447-G450 PolarHBondContact O-N 3.31Å; D447-G450 PolarHBondContact OD1-N 3.47Å; D447-G450 VanDerWaalsContact OD1-N 3.08Å; G450-Y504 CarbonylContact O-C 3.58Å; G450-Y504 WeakPolarHBondContact O-CA 3.49Å; G450-Y505 PolarHBondContact O-N 2.95Å
451	Q	94.3	Very high	94.9	Very high	43 Å²	43	32.5 Å²	32.5	20%	0.201	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-76.8	135.5	171.5	-164.1	-179.1	-38.1	0	0	109.6	F446 D447 K449 R453 P502 Y504	F446-Q451 CarbonylContact C-O 3.59Å; F446-Q451 VanDerWaalsContact CA-O 3.28Å; F446-Q451 WeakPolarHBondContact CA-O 3.44Å; D447-Q451 PolarHBondContact N-O 3.47Å; D447-Q451 WeakPolarHBondContact OD1-CB 3.37Å; D447-Q451 PolarHBondContact OD1-N 2.67Å; D447-Q451 WeakPolarHBondContact OD2-CB 3.28Å; K449-Q451 VanDerWaalsContact C-N 3.3Å; Q451-R453 PolarHBondContact O-N 2.71Å; Q451-P502 HydrophobicContact CG-CB 4.14Å; Q451-Y504 HydrophobicContact CB-CD1 3.84Å; Q451-Y504 HydrophobicContact CB-CE1 3.5Å; Q451-Y504 HydrophobicContact CG-CD1 4.19Å; Q451-Y504 HydrophobicContact CG-CE1 3.75Å; Q451-Y504 HydrophobicContact CG-CE2 4.3Å; Q451-Y504 PolarHBondContact OE1-OH 3.33Å
452	L	94.3	Very high	94.7	Very high	9 Å²	9	33.9 Å²	33.9	5%	0.047	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-63	125.5	169.2	-178.1	64.3	0	0	0	108.6	V326 I391 V445 F446 Y503	V326-L452 HydrophobicContact CG1-CB 4.29Å; V326-L452 HydrophobicContact CG1-CD2 4.39Å; I391-L452 HydrophobicContact CG2-CD2 3.98Å; V445-L452 HydrophobicContact CG1-CD1 3.52Å; F446-L452 HydrophobicContact CD1-CB 4.36Å; F446-L452 HydrophobicContact CE1-CB 4.19Å; F446-L452 HydrophobicContact CE1-CD1 4.22Å; F446-L452 HydrophobicContact CZ-CD1 4.34Å; L452-Y503 PolarHBondContact N-O 3.04Å
453	R	93.9	Very high	94.1	Very high	74 Å²	74	38 Å²	38	28%	0.279	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-63.7	139.9	-179.9	-71.3	-170.8	-178	-104.8	0.2	110.6	M444 V445 Q451 I457 F495	M444-R453 WeakPolarHBondContact O-CD 3.18Å; M444-R453 PolarHBondContact O-NE 2.76Å; M444-R453 VanDerWaalsContact O-NE 3.09Å; V445-R453 WeakPolarHBondContact O-CB 3.42Å; V445-R453 WeakPolarHBondContact O-CG 3.46Å; V445-R453 PolarHBondContact O-N 3.17Å; Q451-R453 PolarHBondContact O-N 2.71Å; R453-I457 HydrophobicContact CB-CD1 4.35Å; R453-F495 HydrophobicContact CB-CD1 4.27Å; R453-F495 HydrophobicContact CB-CD2 4.19Å; R453-F495 HydrophobicContact CB-CE1 4.27Å; R453-F495 HydrophobicContact CB-CE2 4.21Å; R453-F495 HydrophobicContact CB-CG 4.23Å; R453-F495 HydrophobicContact CB-CZ 4.24Å; R453-F495 VanDerWaalsContact O-CB 3.26Å; R453-F495 WeakPolarHBondContact O-CB 3.41Å; R453-F495 WeakPolarHBondContact O-CD1 3.33Å; R453-F495 WeakPolarHBondContact O-CG 3.38Å
454	T	92.4	Very high	92.8	Very high	52 Å²	52	41.1 Å²	41.1	32%	0.319	22%	0.218	S	C	.	.			trans	-138.3	153	-179.4	56.5	0	0	0	0	110.3
455	G	92.4	Very high	91.4	Very high	10 Å²	10	41.6 Å²	41.6	10%	0.103	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	85.8	-169	175.2	0	0	0	0	0	114	K494 F495	G455-K494 WeakPolarHBondContact O-CA 3.45Å; G455-F495 PolarHBondContact N-O 3.47Å; G455-F495 VanDerWaalsContact N-O 3.15Å; G455-F495 PolarHBondContact O-N 3.26Å
456	D	94.3	Very high	89.6	Confident	111 Å²	111	44.2 Å²	44.2	59%	0.594	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	132.3	-174.3	-65	-80.3	0	0	0	112	K494	D456-K494 WeakPolarHBondContact OD1-CD 3.48Å; D456-K494 IonicContact OD2-NZ 2.7Å
457	I	94.6	Very high	87.5	Confident	32 Å²	32	48.9 Å²	48.9	16%	0.164	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	137.7	180	-54.2	-168.9	0	0	0	109.9	R453 L459 I493 F495	R453-I457 HydrophobicContact CB-CD1 4.35Å; I457-L459 HydrophobicContact CG2-CD2 3.71Å; I457-L459 HydrophobicContact CG2-CG 4.2Å; I457-I493 HydrophobicContact CB-CG1 4.14Å; I457-I493 PolarHBondContact N-O 2.88Å; I457-I493 PolarHBondContact O-N 3.41Å; I457-F495 HydrophobicContact CD1-CD2 3.71Å; I457-F495 HydrophobicContact CD1-CE2 3.6Å; I457-F495 HydrophobicContact CG1-CD2 4.19Å; I457-F495 HydrophobicContact CG1-CE2 4.34Å
458	I	95.3	Very high	85.6	Confident	87 Å²	87	51.9 Å²	51.9	45%	0.446	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	123	174	-50	178.5	0	0	0	108.1	A490	I458-A490 HydrophobicContact CG2-CB 4.25Å
459	L	95.7	Very high	83.7	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	102.3	-177.5	-62.9	-177.6	0	0	0	110	F402 V441 T443 I457 T481 A490 L491 I493	F402-L459 HydrophobicContact CD2-CD1 4Å; F402-L459 HydrophobicContact CE2-CD1 3.79Å; V441-L459 HydrophobicContact CB-CB 4.4Å; V441-L459 HydrophobicContact CG1-CB 3.79Å; V441-L459 HydrophobicContact CG1-CD1 4.08Å; V441-L459 HydrophobicContact CG2-CB 3.8Å; T443-L459 HydrophobicContact CG2-CD1 4.01Å; T443-L459 HydrophobicContact CG2-CD2 4.36Å; I457-L459 HydrophobicContact CG2-CD2 3.71Å; I457-L459 HydrophobicContact CG2-CG 4.2Å; L459-T481 HydrophobicContact CD2-CG2 3.91Å; L459-A490 WeakPolarHBondContact O-CA 3.43Å; L459-L491 HydrophobicContact CB-CB 4.49Å; L459-L491 PolarHBondContact N-O 2.93Å; L459-L491 PolarHBondContact O-N 2.67Å; L459-I493 HydrophobicContact CD1-CD1 3.59Å; L459-I493 HydrophobicContact CD1-CG1 4.07Å; L459-I493 HydrophobicContact CG-CD1 4.34Å; L459-I493 HydrophobicContact CG-CG1 4.4Å
460	H	95.1	Very high	81.7	Confident	35 Å²	35	53.5 Å²	53.5	16%	0.162	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	122.7	173.7	-64.6	-77	0	0	0	110.3	N482	H460-N482 HydrophobicContact CB-CB 4.11Å; H460-N482 VanDerWaalsContact CB-O 3.32Å; H460-N482 WeakPolarHBondContact CB-O 3.49Å; H460-N482 PolarHBondContact O-N 3.04Å
461	S	93.1	Very high	80	Confident	3 Å²	3	58.7 Å²	58.7	2%	0.021	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-94.1	161.3	-166	-52.5	0	0	0	0	113.4	W440 N482 T489	W440-S461 WeakPolarHBondContact O-CA 3.49Å; W440-S461 WeakPolarHBondContact O-CB 3.34Å; S461-N482 WeakPolarHBondContact O-CB 3.23Å; S461-N482 PolarHBondContact O-ND2 2.84Å; S461-T489 WeakPolarHBondContact CB-O 3.46Å; S461-T489 PolarHBondContact N-O 3.29Å; S461-T489 PolarHBondContact OG-O 3.26Å
462	W	90.9	Very high	79.1	Confident	28 Å²	28	57.2 Å²	57.2	11%	0.106	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-101.5	135	175	-59.5	99.7	0	0	0	109.8	A439 W440 T478 Q480 N482 P685 A686	A439-W462 CarbonylContact C-O 3.54Å; A439-W462 WeakPolarHBondContact CA-O 3.49Å; W440-W462 HydrophobicContact CD2-CB 4.2Å; W440-W462 HydrophobicContact CH2-CB 4.34Å; W440-W462 AromaticContact CH2-CD1 3.62Å; W440-W462 HydrophobicContact CH2-CG 4.09Å; W440-W462 HydrophobicContact CZ2-CB 3.71Å; W440-W462 AromaticContact CZ2-CD1 3.89Å; W440-W462 AromaticContact CZ2-CG 3.89Å; W440-W462 HydrophobicContact CZ2-CG 3.89Å; W440-W462 AromaticContact CZ3-CD1 3.88Å; W440-W462 PolarHBondContact N-O 2.93Å; W440-W462 PolarHBondContact O-N 3.01Å; W462-T478 HydrophobicContact CZ2-CG2 4.07Å; W462-Q480 PolarHBondContact NE1-O 3.06Å; W462-Q480 VanDerWaalsContact NE1-O 3.13Å; W462-N482 HydrophobicContact CD2-CB 4.02Å; W462-N482 HydrophobicContact CE3-CB 4.18Å; W462-N482 HydrophobicContact CH2-CB 4.23Å; W462-N482 HydrophobicContact CZ2-CB 4.08Å; W462-N482 HydrophobicContact CZ3-CB 4.28Å; W462-P685 HydrophobicContact CH2-CB 4.15Å; W462-P685 HydrophobicContact CZ3-CB 4.34Å; W462-A686 HydrophobicContact CH2-CB 3.81Å; W462-A686 HydrophobicContact CZ2-CB 3.99Å
463	S	82.9	Confident	78.8	Confident	86 Å²	86	56.8 Å²	56.8	60%	0.601	30%	0.3	S	S	*	.			trans	-93.4	-19.1	-177.4	53.1	0	0	0	0	113.9	F465	S463-F465 WeakPolarHBondContact O-CD2 3.28Å
464	S	70.6	Confident	78.5	Confident	72 Å²	72	53.8 Å²	53.8	50%	0.503	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-83.4	119.4	178	55.1	0	0	0	0	110.7	W440	W440-S464 PolarHBondContact NE1-O 3.43Å
465	F	67.2	Low	78.3	Confident	15 Å²	15	51.7 Å²	51.7	7%	0.066	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-100.4	147.1	170.7	-68.4	-98.5	0	0	0	109.8	A403 P437 A439 W440 S463 L469	A403-F465 HydrophobicContact CB-CE1 4.44Å; P437-F465 HydrophobicContact CB-CD1 3.96Å; P437-F465 HydrophobicContact CB-CD2 3.77Å; P437-F465 HydrophobicContact CB-CE1 3.73Å; P437-F465 HydrophobicContact CB-CE2 3.59Å; P437-F465 HydrophobicContact CB-CG 3.95Å; P437-F465 HydrophobicContact CB-CZ 3.53Å; P437-F465 HydrophobicContact CG-CD2 4.26Å; P437-F465 HydrophobicContact CG-CE2 4.49Å; P437-F465 HydrophobicContact CG-CG 4.37Å; A439-F465 WeakPolarHBondContact O-CZ 3.3Å; W440-F465 HydrophobicContact CB-CD1 4.46Å; W440-F465 HydrophobicContact CB-CE1 3.67Å; W440-F465 HydrophobicContact CB-CZ 3.94Å; W440-F465 AromaticContact CD1-CD1 3.58Å; W440-F465 AromaticContact CD1-CE1 3.52Å; W440-F465 AromaticContact CD1-CG 3.95Å; W440-F465 AromaticContact CD1-CZ 3.78Å; W440-F465 HydrophobicContact CG-CD1 4.28Å; W440-F465 AromaticContact CG-CE1 3.93Å; W440-F465 HydrophobicContact CG-CE1 3.93Å; W440-F465 HydrophobicContact CG-CZ 4.28Å; S463-F465 WeakPolarHBondContact O-CD2 3.28Å; F465-L469 HydrophobicContact CB-CD1 4.02Å; F465-L469 HydrophobicContact CD1-CD1 3.49Å; F465-L469 VanDerWaalsContact CD1-CD1 3.49Å; F465-L469 HydrophobicContact CE1-CD1 4.44Å; F465-L469 HydrophobicContact CG-CD1 4.23Å
466	P	60.8	Low	78	Confident	54 Å²	54	54 Å²	54	35%	0.351	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-52.1	142.1	164.7	-22.9	32.3	0	0	0	110.9	E468 L469	P466-E468 PolarHBondContact O-N 3.16Å; P466-E468 VanDerWaalsContact O-N 3.15Å; P466-L469 HydrophobicContact CB-CG 4.29Å; P466-L469 HydrophobicContact CG-CD2 4.29Å; P466-L469 HydrophobicContact CG-CG 4.32Å
467	D	51.9	Low	77.7	Confident	99 Å²	99	49.1 Å²	49.1	53%	0.529	26%	0.262	S	S	.	.	S	Bend	trans	-63.3	-21.2	-173.8	-76.1	-27.4	0	0	0	112.9
468	E	54.4	Low	77.6	Confident	91 Å²	91	49.2 Å²	49.2	43%	0.425	26%	0.263	S	S	.	.			trans	-124.7	95.4	175.7	-62.8	-172.5	167.1	0	0	110.2	P466 K1019	P466-E468 PolarHBondContact O-N 3.16Å; P466-E468 VanDerWaalsContact O-N 3.15Å; E468-K1019 IonicContact OE1-NZ 3.23Å; E468-K1019 PolarHBondContact OE1-NZ 2.99Å; E468-K1019 IonicContact OE2-NZ 3.82Å; E468-K1019 PolarHBondContact OE2-NZ 2.76Å
469	L	56.5	Low	77.5	Confident	30 Å²	30	45.9 Å²	45.9	16%	0.157	25%	0.247	C	C	.	.			trans	-115.4	101.8	169.3	-81	177.4	0	0	0	110	F465 P466 L473 N474	F465-L469 HydrophobicContact CB-CD1 4.02Å; F465-L469 HydrophobicContact CD1-CD1 3.49Å; F465-L469 VanDerWaalsContact CD1-CD1 3.49Å; F465-L469 HydrophobicContact CE1-CD1 4.44Å; F465-L469 HydrophobicContact CG-CD1 4.23Å; P466-L469 HydrophobicContact CB-CG 4.29Å; P466-L469 HydrophobicContact CG-CD2 4.29Å; P466-L469 HydrophobicContact CG-CG 4.32Å; L469-L473 WeakPolarHBondContact CD2-O 3.26Å; L469-N474 HydrophobicContact CD1-CB 4.38Å; L469-N474 HydrophobicContact CD2-CB 4.39Å
470	E	51.5	Low	77.3	Confident	185 Å²	185	48.9 Å²	48.9	86%	0.864	26%	0.261	S	S	*	.	S	Bend	trans	-74.5	-32.1	175.4	-62.8	-166.7	161.8	0	0	112.2
471	E	58.3	Low	77.2	Confident	115 Å²	115	49.8 Å²	49.8	54%	0.537	27%	0.269	S	S	.	.	S	Bend	trans	-91.5	-0.3	-169.3	-66.3	-167.1	152	0	0	115.9	L473	E471-L473 PolarHBondContact O-N 2.83Å
472	M	74.4	Confident	77.1	Confident	11 Å²	11	50.4 Å²	50.4	5%	0.054	27%	0.272	C	S	.	.	S	Bend	trans	57.2	11.5	-175.3	-31.3	-161.1	-150.4	0	0	115.8	R354 Y405 I428 K430	R354-M472 VanDerWaalsContact CZ-SD 3.56Å; R354-M472 VanDerWaalsContact NH1-CB 3.28Å; R354-M472 PolarHBondContact NH1-SD 2.93Å; R354-M472 PolarHBondContact NH2-SD 2.96Å; R354-M472 VanDerWaalsContact NH2-SD 3.42Å; Y405-M472 HydrophobicContact CE2-CB 3.97Å; Y405-M472 WeakPolarHBondContact CE2-O 3.42Å; Y405-M472 WeakPolarHBondContact OH-CA 3.21Å; Y405-M472 WeakPolarHBondContact OH-CB 3.36Å; Y405-M472 PolarHBondContact OH-O 3.17Å; I428-M472 HydrophobicContact CB-SD 4.47Å; I428-M472 HydrophobicContact CD1-CB 4.09Å; I428-M472 HydrophobicContact CD1-CG 3.57Å; I428-M472 HydrophobicContact CD1-SD 4.19Å; I428-M472 HydrophobicContact CG2-CE 3.87Å; I428-M472 HydrophobicContact CG2-CG 4.34Å; I428-M472 HydrophobicContact CG2-SD 3.93Å; K430-M472 HydrophobicContact CB-CE 4.42Å; K430-M472 HydrophobicContact CD-CE 3.51Å
473	L	87.6	Confident	77	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.005	29%	0.289	C	S	.	.	S	Bend	trans	-135.6	157.6	169.7	-74.3	171	0	0	0	107.6	R354 F358 T367 A403 L469 E471 P475	R354-L473 HydrophobicContact CB-CD2 4.35Å; R354-L473 HydrophobicContact CG-CD1 4.15Å; R354-L473 HydrophobicContact CG-CD2 4.19Å; R354-L473 HydrophobicContact CG-CG 4.21Å; F358-L473 HydrophobicContact CE2-CB 4.37Å; F358-L473 HydrophobicContact CE2-CD1 3.74Å; F358-L473 HydrophobicContact CZ-CB 4.3Å; F358-L473 HydrophobicContact CZ-CD1 4.03Å; T367-L473 HydrophobicContact CG2-CD1 3.89Å; A403-L473 HydrophobicContact CB-CD2 3.69Å; L469-L473 WeakPolarHBondContact CD2-O 3.26Å; E471-L473 PolarHBondContact O-N 2.83Å; L473-P475 VanDerWaalsContact C-CD 3.44Å; L473-P475 VanDerWaalsContact O-CD 3.24Å; L473-P475 WeakPolarHBondContact O-CD 3.47Å
474	N	88.2	Confident	77.2	Confident	11 Å²	11	55.5 Å²	55.5	6%	0.059	29%	0.289	C	S	.	.			trans	-115.4	72.8	180	-176.7	19.9	0	0	0	111.1	W440 N442 L469 M476 G477	W440-N474 HydrophobicContact CD2-CB 4.11Å; W440-N474 VanDerWaalsContact CE2-ND2 3.29Å; W440-N474 HydrophobicContact CE3-CB 4.33Å; W440-N474 HydrophobicContact CG-CB 4.26Å; W440-N474 WeakPolarHBondContact CZ2-ND2 3.42Å; N442-N474 PolarHBondContact ND2-O 3.47Å; L469-N474 HydrophobicContact CD1-CB 4.38Å; L469-N474 HydrophobicContact CD2-CB 4.39Å; N474-M476 PolarHBondContact O-N 3.29Å; N474-G477 PolarHBondContact O-N 3.1Å; N474-G477 VanDerWaalsContact O-N 3.13Å; N474-G477 PolarHBondContact OD1-N 3.32Å
475	P	89.1	Confident	77.9	Confident	8 Å²	8	55.3 Å²	55.3	5%	0.052	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-24.3	-177	27.4	-35.2	0	0	0	113.2	F358 R399 L473 G477	F358-P475 HydrophobicContact CB-CB 4.23Å; F358-P475 HydrophobicContact CD1-CB 3.66Å; F358-P475 HydrophobicContact CD1-CG 4.06Å; F358-P475 HydrophobicContact CD2-CB 4.14Å; F358-P475 HydrophobicContact CE1-CB 3.95Å; F358-P475 HydrophobicContact CE1-CG 3.92Å; F358-P475 HydrophobicContact CE2-CB 4.41Å; F358-P475 HydrophobicContact CG-CB 3.75Å; F358-P475 HydrophobicContact CZ-CB 4.32Å; F358-P475 HydrophobicContact CZ-CG 4.35Å; R399-P475 PolarHBondContact NH1-O 3.41Å; L473-P475 VanDerWaalsContact C-CD 3.44Å; L473-P475 VanDerWaalsContact O-CD 3.24Å; L473-P475 WeakPolarHBondContact O-CD 3.47Å; P475-G477 VanDerWaalsContact C-N 3.29Å; P475-G477 PolarHBondContact O-N 3.15Å
476	M	86.3	Confident	78.7	Confident	58 Å²	58	61.7 Å²	61.7	29%	0.286	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-18	177.6	-67.8	-62.6	-74.1	0	0	114.2	T361 N474 F612 Y648	T361-M476 HydrophobicContact CG2-SD 3.8Å; N474-M476 PolarHBondContact O-N 3.29Å; M476-F612 HydrophobicContact CE-CB 3.29Å; M476-F612 HydrophobicContact CE-CD1 3.25Å; M476-F612 HydrophobicContact CE-CD2 3.49Å; M476-F612 VanDerWaalsContact CE-CD2 3.49Å; M476-F612 HydrophobicContact CE-CE1 3.88Å; M476-F612 HydrophobicContact CE-CE2 4.06Å; M476-F612 HydrophobicContact CE-CG 3.02Å; M476-F612 HydrophobicContact CE-CZ 4.23Å; M476-F612 HydrophobicContact SD-CB 3.45Å; M476-F612 WeakPolarHBondContact SD-CB 3.36Å; M476-F612 HydrophobicContact SD-CD1 4.3Å; M476-F612 HydrophobicContact SD-CD2 3.44Å; M476-F612 WeakPolarHBondContact SD-CD2 3.44Å; M476-F612 HydrophobicContact SD-CE2 4.21Å; M476-F612 HydrophobicContact SD-CG 3.47Å; M476-F612 WeakPolarHBondContact SD-CG 3.2Å; M476-Y648 HydrophobicContact CE-CE1 3.73Å
477	G	88.3	Confident	79.7	Confident	9 Å²	9	65.7 Å²	65.7	9%	0.093	33%	0.333	C	S	.	.	S	Bend	trans	-67.5	154.9	-179.1	0	0	0	0	0	113.3	W440 N442 N474 P475	W440-G477 VanDerWaalsContact CH2-CA 3.43Å; N442-G477 PolarHBondContact ND2-O 3.18Å; N474-G477 PolarHBondContact O-N 3.1Å; N474-G477 VanDerWaalsContact O-N 3.13Å; N474-G477 PolarHBondContact OD1-N 3.32Å; P475-G477 VanDerWaalsContact C-N 3.29Å; P475-G477 PolarHBondContact O-N 3.15Å
478	T	91.7	Very high	81.4	Confident	33 Å²	33	61.5 Å²	61.5	20%	0.202	31%	0.312	C	S	.	.			trans	-54.2	146.4	176.8	-176.6	0	0	0	0	112.6	W440 W462 Q480 A686	W440-T478 HydrophobicContact CH2-CG2 4.13Å; W462-T478 HydrophobicContact CZ2-CG2 4.07Å; T478-Q480 WeakPolarHBondContact OG1-CB 3.33Å; T478-Q480 PolarHBondContact OG1-N 3.41Å; T478-Q480 VanDerWaalsContact OG1-N 3.07Å; T478-A686 HydrophobicContact CG2-CB 4.18Å
479	V	93.9	Very high	83.2	Confident	17 Å²	17	57.7 Å²	57.7	10%	0.103	30%	0.295	C	S	.	.	S	Bend	trans	-89.4	-7.3	171.6	-62.3	0	0	0	0	112.8	R399 N442 M444 P650	R399-V479 HydrophobicContact CG-CG1 3.98Å; R399-V479 VanDerWaalsContact NE-CG1 3.32Å; N442-V479 HydrophobicContact CB-CG1 4.21Å; M444-V479 HydrophobicContact CG-CB 4.21Å; M444-V479 HydrophobicContact CG-CG1 4.11Å; M444-V479 HydrophobicContact CG-CG2 4.14Å; M444-V479 HydrophobicContact SD-CG1 3.79Å; V479-P650 HydrophobicContact CG2-CB 3.86Å
480	Q	91.6	Very high	85	Confident	65 Å²	65	56.5 Å²	56.5	30%	0.304	29%	0.289	S	S	.	.	S	Bend	trans	-77.7	128.7	173.4	-60.6	-61.5	-32.1	0	0	109	W462 T478	W462-Q480 PolarHBondContact NE1-O 3.06Å; W462-Q480 VanDerWaalsContact NE1-O 3.13Å; T478-Q480 WeakPolarHBondContact OG1-CB 3.33Å; T478-Q480 PolarHBondContact OG1-N 3.41Å; T478-Q480 VanDerWaalsContact OG1-N 3.07Å
481	T	92	Very high	87	Confident	55 Å²	55	47.7 Å²	47.7	34%	0.337	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-71.2	153.9	-179.4	55.3	0	0	0	0	111.1	V441 L459	V441-T481 HydrophobicContact CG2-CG2 4.41Å; L459-T481 HydrophobicContact CD2-CG2 3.91Å
482	N	91.7	Very high	88.9	Confident	15 Å²	15	43.9 Å²	43.9	8%	0.08	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-60.7	123.9	178.7	-173.3	-14.6	0	0	0	111.4	H460 S461 W462 Y484	H460-N482 HydrophobicContact CB-CB 4.11Å; H460-N482 VanDerWaalsContact CB-O 3.32Å; H460-N482 WeakPolarHBondContact CB-O 3.49Å; H460-N482 PolarHBondContact O-N 3.04Å; S461-N482 WeakPolarHBondContact O-CB 3.23Å; S461-N482 PolarHBondContact O-ND2 2.84Å; W462-N482 HydrophobicContact CD2-CB 4.02Å; W462-N482 HydrophobicContact CE3-CB 4.18Å; W462-N482 HydrophobicContact CH2-CB 4.23Å; W462-N482 HydrophobicContact CZ2-CB 4.08Å; W462-N482 HydrophobicContact CZ3-CB 4.28Å; N482-Y484 PolarHBondContact O-N 2.94Å; N482-Y484 WeakPolarHBondContact OD1-CD2 3.37Å; N482-Y484 PolarHBondContact OD1-N 3.49Å
483	P	88.3	Confident	89.9	Confident	72 Å²	72	43.4 Å²	43.4	47%	0.468	23%	0.228	S	C	.	.	S	Bend	trans	-70	-17.5	-179.7	28.3	-35.3	0	0	0	113.4	T485 P685	P483-T485 PolarHBondContact O-N 3.32Å; P483-T485 VanDerWaalsContact O-N 3.09Å; P483-P685 HydrophobicContact CG-CB 3.73Å
484	Y	86.4	Confident	90.3	Very high	150 Å²	150	46.7 Å²	46.7	59%	0.588	24%	0.242	S	C	*	.			trans	-82.5	81.8	177.9	-61	-67.5	0	0	0	111.7	N482 E486 A488 P685	N482-Y484 PolarHBondContact O-N 2.94Å; N482-Y484 WeakPolarHBondContact OD1-CD2 3.37Å; N482-Y484 PolarHBondContact OD1-N 3.49Å; Y484-E486 PolarHBondContact O-N 2.82Å; Y484-A488 WeakPolarHBondContact O-CB 3.46Å; Y484-A488 PolarHBondContact O-N 3.4Å; Y484-P685 HydrophobicContact CE2-CB 3.91Å; Y484-P685 HydrophobicContact CE2-CG 3.54Å
485	T	86.8	Confident	90.6	Very high	68 Å²	68	46.3 Å²	46.3	42%	0.417	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-26	-173.7	61.4	0	0	0	0	114.4	K342 P483	K342-T485 PolarHBondContact NZ-O 2.97Å; P483-T485 PolarHBondContact O-N 3.32Å; P483-T485 VanDerWaalsContact O-N 3.09Å
486	E	83.8	Confident	90.4	Very high	149 Å²	149	48.7 Å²	48.7	70%	0.696	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-37.4	-174.9	-69.2	-171.7	172.2	0	0	113.7	K342 Y484	K342-E486 WeakPolarHBondContact CE-O 3.44Å; K342-E486 PolarHBondContact NZ-O 3.46Å; Y484-E486 PolarHBondContact O-N 2.82Å
487	N	81.4	Confident	90.1	Very high	138 Å²	138	52.1 Å²	52.1	74%	0.738	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117	-2.8	-173.4	-64.7	-34.3	0	0	0	113.6
488	A	87.8	Confident	89.1	Confident	10 Å²	10	54.8 Å²	54.8	8%	0.083	28%	0.283	C	S	.	.	S	Bend	trans	-85.8	143.7	177.7	0	0	0	0	0	112.5	Y484	Y484-A488 WeakPolarHBondContact O-CB 3.46Å; Y484-A488 PolarHBondContact O-N 3.4Å
489	T	91	Very high	87.6	Confident	11 Å²	11	63.2 Å²	63.2	7%	0.067	32%	0.317	C	S	.	.			trans	-55.7	136.9	164.2	-57.5	0	0	0	0	109.9	N341 K342 L343 A439 S461	N341-T489 WeakPolarHBondContact O-CA 3.38Å; K342-T489 WeakPolarHBondContact O-CA 3.4Å; K342-T489 WeakPolarHBondContact O-CB 3.37Å; K342-T489 PolarHBondContact O-OG1 3.37Å; L343-T489 HydrophobicContact CD2-CG2 3.7Å; A439-T489 HydrophobicContact CB-CG2 4.18Å; S461-T489 WeakPolarHBondContact CB-O 3.46Å; S461-T489 PolarHBondContact N-O 3.29Å; S461-T489 PolarHBondContact OG-O 3.26Å
490	A	94.3	Very high	86.4	Confident	5 Å²	5	71.8 Å²	71.8	4%	0.041	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	133.1	179.9	0	0	0	0	0	110.9	G340 N341 I458 L459	G340-A490 CarbonylContact C-O 3.35Å; G340-A490 VanDerWaalsContact CA-O 3.27Å; G340-A490 WeakPolarHBondContact CA-O 3.35Å; N341-A490 PolarHBondContact N-O 3.46Å; N341-A490 PolarHBondContact O-N 2.94Å; I458-A490 HydrophobicContact CG2-CB 4.25Å; L459-A490 WeakPolarHBondContact O-CA 3.43Å
491	L	95.3	Very high	85.8	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	131.3	170.7	-66.4	-177.9	0	0	0	109.8	V353 F402 V404 V441 L459	V353-L491 HydrophobicContact CG1-CD1 4.1Å; V353-L491 HydrophobicContact CG2-CD2 4.16Å; F402-L491 HydrophobicContact CB-CD1 3.92Å; F402-L491 HydrophobicContact CG-CD1 4.32Å; V404-L491 HydrophobicContact CG2-CD1 4.11Å; V404-L491 HydrophobicContact CG2-CD2 4.06Å; V404-L491 HydrophobicContact CG2-CG 4.36Å; V441-L491 HydrophobicContact CG1-CD1 4.07Å; L459-L491 HydrophobicContact CB-CB 4.49Å; L459-L491 PolarHBondContact N-O 2.93Å; L459-L491 PolarHBondContact O-N 2.67Å
492	H	96.3	Very high	85.6	Confident	35 Å²	35	72.5 Å²	72.5	16%	0.162	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	118.9	172	-70.2	-114.3	0	0	0	108.4	V338 K339 N341	V338-H492 HydrophobicContact CB-CB 4.1Å; V338-H492 WeakPolarHBondContact CB-O 3.48Å; V338-H492 PolarHBondContact N-O 2.95Å; K339-H492 VanDerWaalsContact CE-CE1 3.44Å; K339-H492 WeakPolarHBondContact CE-CE1 3.41Å; K339-H492 WeakPolarHBondContact CE-NE2 3.38Å; K339-H492 HydrophobicContact CG-CB 3.62Å; K339-H492 PolarHBondContact N-O 3.09Å; K339-H492 PolarHBondContact O-N 3.46Å; N341-H492 PolarHBondContact ND2-NE2 3.5Å
493	I	96.7	Very high	85.6	Confident	1 Å²	1	74 Å²	74	1%	0.005	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	155.6	176.8	65	167.8	0	0	0	109.7	V336 L337 L400 F402 T443 I457 L459 F495	V336-I493 CarbonylContact O-C 3.45Å; V336-I493 WeakPolarHBondContact O-CA 3.46Å; L337-I493 HydrophobicContact CD1-CG2 4.28Å; L400-I493 HydrophobicContact CD2-CD1 4.34Å; F402-I493 HydrophobicContact CE1-CG2 4.36Å; F402-I493 HydrophobicContact CE2-CD1 3.95Å; F402-I493 HydrophobicContact CE2-CG2 4.46Å; F402-I493 HydrophobicContact CZ-CD1 3.97Å; F402-I493 HydrophobicContact CZ-CG2 3.96Å; T443-I493 HydrophobicContact CG2-CD1 4.43Å; I457-I493 HydrophobicContact CB-CG1 4.14Å; I457-I493 PolarHBondContact N-O 2.88Å; I457-I493 PolarHBondContact O-N 3.41Å; L459-I493 HydrophobicContact CD1-CD1 3.59Å; L459-I493 HydrophobicContact CD1-CG1 4.07Å; L459-I493 HydrophobicContact CG-CD1 4.34Å; L459-I493 HydrophobicContact CG-CG1 4.4Å; I493-F495 HydrophobicContact CD1-CD2 4.4Å; I493-F495 HydrophobicContact CD1-CE2 3.61Å; I493-F495 HydrophobicContact CD1-CZ 4.15Å; I493-F495 HydrophobicContact CG1-CE2 4.34Å
494	K	96.1	Very high	85.8	Confident	71 Å²	71	73.8 Å²	73.8	31%	0.309	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	123.2	175.5	-178.4	174.5	-172.9	151.6	0	110.3	V336 V338 G455 D456	V336-K494 HydrophobicContact CB-CB 4.26Å; V336-K494 PolarHBondContact N-O 3.07Å; V336-K494 PolarHBondContact O-N 3.24Å; V338-K494 HydrophobicContact CG2-CB 4.01Å; G455-K494 WeakPolarHBondContact O-CA 3.45Å; D456-K494 WeakPolarHBondContact OD1-CD 3.48Å; D456-K494 IonicContact OD2-NZ 2.7Å
495	F	93.4	Very high	86.3	Confident	2 Å²	2	67.6 Å²	67.6	1%	0.009	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	143.3	168.8	-72.8	-95.2	0	0	0	109.8	F333 I335 L400 R453 G455 I457 I493 E497	F333-F495 HydrophobicContact CE2-CD1 4.43Å; F333-F495 HydrophobicContact CE2-CE1 4.36Å; F333-F495 HydrophobicContact CZ-CD1 4.44Å; F333-F495 HydrophobicContact CZ-CE1 4.01Å; I335-F495 HydrophobicContact CG2-CD1 4.06Å; I335-F495 HydrophobicContact CG2-CE1 4.09Å; L400-F495 HydrophobicContact CD2-CE1 4.34Å; L400-F495 HydrophobicContact CD2-CZ 3.95Å; R453-F495 HydrophobicContact CB-CD1 4.27Å; R453-F495 HydrophobicContact CB-CD2 4.19Å; R453-F495 HydrophobicContact CB-CE1 4.27Å; R453-F495 HydrophobicContact CB-CE2 4.21Å; R453-F495 HydrophobicContact CB-CG 4.23Å; R453-F495 HydrophobicContact CB-CZ 4.24Å; R453-F495 VanDerWaalsContact O-CB 3.26Å; R453-F495 WeakPolarHBondContact O-CB 3.41Å; R453-F495 WeakPolarHBondContact O-CD1 3.33Å; R453-F495 WeakPolarHBondContact O-CG 3.38Å; G455-F495 PolarHBondContact N-O 3.47Å; G455-F495 VanDerWaalsContact N-O 3.15Å; G455-F495 PolarHBondContact O-N 3.26Å; I457-F495 HydrophobicContact CD1-CD2 3.71Å; I457-F495 HydrophobicContact CD1-CE2 3.6Å; I457-F495 HydrophobicContact CG1-CD2 4.19Å; I457-F495 HydrophobicContact CG1-CE2 4.34Å; I493-F495 HydrophobicContact CD1-CD2 4.4Å; I493-F495 HydrophobicContact CD1-CE2 3.61Å; I493-F495 HydrophobicContact CD1-CZ 4.15Å; I493-F495 HydrophobicContact CG1-CE2 4.34Å; F495-E497 PolarHBondContact O-N 3.03Å
496	P	86.4	Confident	86.6	Confident	59 Å²	59	64.5 Å²	64.5	38%	0.383	31%	0.309	S	S	.	.			trans	-56.4	130.6	178.7	-21.8	31.4	0	0	0	111.1	Q334	Q334-P496 WeakPolarHBondContact O-CD 3.43Å; Q334-P496 WeakPolarHBondContact O-CG 3.48Å
497	E	78.9	Confident	86.9	Confident	130 Å²	130	60.2 Å²	60.2	61%	0.607	29%	0.294	S	S	*	.			trans	-97.3	111.8	-178.2	-163.5	170.5	-165.3	0	0	109.9	F495 K499	F495-E497 PolarHBondContact O-N 3.03Å; E497-K499 PolarHBondContact O-N 2.84Å
498	N	66.6	Low	87.4	Confident	64 Å²	64	56.4 Å²	56.4	34%	0.342	27%	0.271	S	S	.	.			trans	-79.5	119	178.1	-71.1	-43	0	0	0	110.2	K500 Y503	N498-K500 PolarHBondContact O-N 3.36Å; N498-Y503 HydrophobicContact CB-CE2 4.37Å; N498-Y503 VanDerWaalsContact ND2-CD2 3.31Å; N498-Y503 WeakPolarHBondContact ND2-CD2 3.25Å; N498-Y503 WeakPolarHBondContact ND2-CE2 3.39Å
499	K	60.2	Low	87.6	Confident	210 Å²	210	61.7 Å²	61.7	91%	0.913	30%	0.298	S	S	*	.	S	Bend	trans	-66.7	3.5	-168.6	-65.5	-177.7	177.8	178.3	0	116.3	E497	E497-K499 PolarHBondContact O-N 2.84Å
500	K	69.3	Low	87.7	Confident	197 Å²	197	65.5 Å²	65.5	86%	0.857	31%	0.314	S	S	*	.	S	Bend	trans	-131.2	-50.8	-170.9	-64.2	-174.7	-178.7	178.7	0	115	N498	N498-K500 PolarHBondContact O-N 3.36Å
501	Q	79.9	Confident	87.7	Confident	83 Å²	83	65.3 Å²	65.3	39%	0.388	31%	0.312	S	S	.	.			trans	-154.8	151.1	-178.8	-66	-173.8	-4.4	0	0	111.5	I322	I322-Q501 PolarHBondContact O-OE1 2.86Å; I322-Q501 VanDerWaalsContact O-OE1 3.07Å
502	P	87.9	Confident	87.6	Confident	53 Å²	53	67.4 Å²	67.4	34%	0.344	32%	0.322	S	S	.	.			trans	-74.5	147.4	174.9	30.5	-34.6	0	0	0	112.1	Q451 Y504	Q451-P502 HydrophobicContact CG-CB 4.14Å; P502-Y504 HydrophobicContact CB-CE2 4.22Å; P502-Y504 HydrophobicContact CG-CE2 3.88Å
503	Y	90.7	Very high	87.5	Confident	46 Å²	46	70.7 Å²	70.7	18%	0.18	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	138.9	173.1	-72.2	-79.4	0	0	0	111.2	S324 H325 N329 L452 N498	S324-Y503 WeakPolarHBondContact O-CA 3.17Å; H325-Y503 WeakPolarHBondContact O-CD1 3.42Å; N329-Y503 HydrophobicContact CB-CE1 4.07Å; L452-Y503 PolarHBondContact N-O 3.04Å; N498-Y503 HydrophobicContact CB-CE2 4.37Å; N498-Y503 VanDerWaalsContact ND2-CD2 3.31Å; N498-Y503 WeakPolarHBondContact ND2-CD2 3.25Å; N498-Y503 WeakPolarHBondContact ND2-CE2 3.39Å
504	Y	93.4	Very high	87.3	Confident	67 Å²	67	73.4 Å²	73.4	26%	0.263	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	152.1	173.6	-70	-93.9	0	0	0	111.1	I323 S324 H325 V326 G450 Q451 P502	I323-Y504 HydrophobicContact CG2-CD2 3.75Å; I323-Y504 HydrophobicContact CG2-CG 4.22Å; S324-Y504 PolarHBondContact O-N 3.43Å; H325-Y504 WeakPolarHBondContact CA-O 3.25Å; V326-Y504 PolarHBondContact N-O 3.26Å; G450-Y504 CarbonylContact O-C 3.58Å; G450-Y504 WeakPolarHBondContact O-CA 3.49Å; Q451-Y504 HydrophobicContact CB-CD1 3.84Å; Q451-Y504 HydrophobicContact CB-CE1 3.5Å; Q451-Y504 HydrophobicContact CG-CD1 4.19Å; Q451-Y504 HydrophobicContact CG-CE1 3.75Å; Q451-Y504 HydrophobicContact CG-CE2 4.3Å; Q451-Y504 PolarHBondContact OE1-OH 3.33Å; P502-Y504 HydrophobicContact CB-CE2 4.22Å; P502-Y504 HydrophobicContact CG-CE2 3.88Å
505	Y	95.1	Very high	87.1	Confident	21 Å²	21	70.3 Å²	70.3	8%	0.082	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-60.7	141	165.5	-162.5	-97.8	0	0	0	109.6	V326 R396 F446 G450 I511	V326-Y505 HydrophobicContact CG2-CD2 4.16Å; R396-Y505 HydrophobicContact CB-CD1 3.88Å; R396-Y505 HydrophobicContact CB-CD2 3.91Å; R396-Y505 HydrophobicContact CB-CE1 3.69Å; R396-Y505 HydrophobicContact CB-CE2 3.75Å; R396-Y505 HydrophobicContact CB-CG 3.98Å; R396-Y505 HydrophobicContact CG-CD1 4.18Å; R396-Y505 HydrophobicContact CG-CE1 4.37Å; R396-Y505 HydrophobicContact CG-CG 4.31Å; R396-Y505 VanDerWaalsContact N-CE2 3.29Å; F446-Y505 HydrophobicContact CE1-CD2 4.12Å; F446-Y505 HydrophobicContact CE2-CD2 4.43Å; F446-Y505 AromaticContact CZ-CD2 3.95Å; F446-Y505 HydrophobicContact CZ-CD2 3.95Å; G450-Y505 PolarHBondContact O-N 2.95Å; Y505-I511 HydrophobicContact CE1-CD1 3.7Å
506	P	93.1	Very high	87	Confident	2 Å²	2	73.1 Å²	73.1	1%	0.013	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-60.4	142.8	-178.4	-18.7	29.3	0	0	0	111.9	W327 K510 I511	W327-P506 HydrophobicContact CD2-CB 4.26Å; W327-P506 HydrophobicContact CD2-CG 3.31Å; W327-P506 VanDerWaalsContact CE2-CG 3.5Å; W327-P506 HydrophobicContact CE3-CB 4.08Å; W327-P506 HydrophobicContact CE3-CG 3.62Å; W327-P506 HydrophobicContact CG-CG 3.69Å; W327-P506 HydrophobicContact CH2-CG 4.3Å; W327-P506 HydrophobicContact CZ2-CG 4Å; W327-P506 HydrophobicContact CZ3-CB 4.2Å; W327-P506 HydrophobicContact CZ3-CG 4.09Å; P506-K510 HydrophobicContact CB-CB 4.17Å; P506-I511 HydrophobicContact CB-CG1 4.15Å
507	P	91.8	Very high	87.3	Confident	60 Å²	60	75.6 Å²	75.6	39%	0.39	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-65.4	156.6	171.2	30.3	-35.4	0	0	0	110.2	H325 D509 K510 I511	H325-P507 VanDerWaalsContact CE1-CD 3.48Å; H325-P507 WeakPolarHBondContact CE1-CD 3.38Å; P507-D509 VanDerWaalsContact C-N 3.28Å; P507-D509 PolarHBondContact O-N 3.27Å; P507-K510 HydrophobicContact CG-CB 4.05Å; P507-K510 HydrophobicContact CG-CG 3.67Å; P507-K510 WeakPolarHBondContact O-CB 3.43Å; P507-K510 PolarHBondContact O-N 3.49Å; P507-I511 PolarHBondContact O-N 3.4Å
508	F	91.2	Very high	87.8	Confident	58 Å²	58	70.3 Å²	70.3	25%	0.254	34%	0.343	S	S	.	.	H	α-helix	trans	-52	-44.1	-176.4	-172.6	-107.7	0	0	0	113.3	K510 I511 I512 Q592 Q596 Y618	F508-K510 VanDerWaalsContact C-N 3.27Å; F508-K510 PolarHBondContact O-N 2.93Å; F508-I511 WeakPolarHBondContact O-CA 3.35Å; F508-I511 WeakPolarHBondContact O-CB 3.45Å; F508-I511 PolarHBondContact O-N 3.38Å; F508-I512 HydrophobicContact CD1-CG1 4.09Å; F508-I512 HydrophobicContact CE1-CD1 4.04Å; F508-I512 HydrophobicContact CE1-CG1 3.73Å; F508-I512 HydrophobicContact CE2-CD1 4.11Å; F508-I512 HydrophobicContact CE2-CG1 4.43Å; F508-I512 HydrophobicContact CZ-CD1 3.7Å; F508-I512 HydrophobicContact CZ-CG1 3.92Å; F508-I512 PolarHBondContact O-N 2.66Å; F508-I512 VanDerWaalsContact O-N 3.07Å; F508-Q592 HydrophobicContact CE2-CB 4.46Å; F508-Q596 HydrophobicContact CZ-CB 4.44Å; F508-Y618 HydrophobicContact CB-CE1 4.21Å; F508-Y618 AromaticContact CD2-CD1 3.93Å; F508-Y618 HydrophobicContact CD2-CD1 3.93Å; F508-Y618 HydrophobicContact CD2-CD2 4.49Å; F508-Y618 AromaticContact CD2-CE1 3.46Å; F508-Y618 HydrophobicContact CD2-CE1 3.46Å; F508-Y618 VanDerWaalsContact CD2-CE1 3.46Å; F508-Y618 HydrophobicContact CD2-CE2 4.08Å; F508-Y618 HydrophobicContact CD2-CG 4.41Å; F508-Y618 AromaticContact CD2-CZ 3.52Å; F508-Y618 HydrophobicContact CE2-CD1 4.14Å; F508-Y618 HydrophobicContact CE2-CE1 4.14Å; F508-Y618 HydrophobicContact CE2-CG 4.42Å; F508-Y618 HydrophobicContact CG-CE1 4.11Å
509	D	92.4	Very high	88.5	Confident	120 Å²	120	70.1 Å²	70.1	64%	0.642	35%	0.351	S	S	*	.	H	α-helix	trans	-57.3	-39.4	179.6	-57.6	-35.3	0	0	0	112.7	P507 I511 I512 E513	P507-D509 VanDerWaalsContact C-N 3.28Å; P507-D509 PolarHBondContact O-N 3.27Å; D509-I511 VanDerWaalsContact C-N 3.3Å; D509-I511 PolarHBondContact O-N 2.94Å; D509-I512 PolarHBondContact O-N 3.5Å; D509-E513 WeakPolarHBondContact O-CG 3.38Å; D509-E513 PolarHBondContact O-N 3.25Å
510	K	92.5	Very high	89.4	Confident	92 Å²	92	63.9 Å²	63.9	40%	0.4	33%	0.334	S	S	.	.	H	α-helix	trans	-68.5	-31.2	176.9	-71.9	-74.2	163.3	-154.2	0	112.3	P506 P507 F508 E513 K514	P506-K510 HydrophobicContact CB-CB 4.17Å; P507-K510 HydrophobicContact CG-CB 4.05Å; P507-K510 HydrophobicContact CG-CG 3.67Å; P507-K510 WeakPolarHBondContact O-CB 3.43Å; P507-K510 PolarHBondContact O-N 3.49Å; F508-K510 VanDerWaalsContact C-N 3.27Å; F508-K510 PolarHBondContact O-N 2.93Å; K510-E513 WeakPolarHBondContact CD-OE2 3.49Å; K510-E513 IonicContact NZ-OE1 2.78Å; K510-E513 PolarHBondContact NZ-OE1 3.2Å; K510-E513 IonicContact NZ-OE2 3.43Å; K510-E513 PolarHBondContact NZ-OE2 2.88Å; K510-K514 PolarHBondContact O-N 2.84Å
511	I	93.4	Very high	89.6	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-67.6	-43.1	176	-56.7	172.2	0	0	0	110.3	W327 Y505 P506 P507 F508 D509 K514 A515 A589 Q592 Y618	W327-I511 HydrophobicContact CH2-CB 4.01Å; W327-I511 HydrophobicContact CH2-CG1 3.73Å; W327-I511 HydrophobicContact CH2-CG2 4.11Å; W327-I511 HydrophobicContact CZ2-CG1 4.19Å; W327-I511 HydrophobicContact CZ3-CG1 4.42Å; Y505-I511 HydrophobicContact CE1-CD1 3.7Å; P506-I511 HydrophobicContact CB-CG1 4.15Å; P507-I511 PolarHBondContact O-N 3.4Å; F508-I511 WeakPolarHBondContact O-CA 3.35Å; F508-I511 WeakPolarHBondContact O-CB 3.45Å; F508-I511 PolarHBondContact O-N 3.38Å; D509-I511 VanDerWaalsContact C-N 3.3Å; D509-I511 PolarHBondContact O-N 2.94Å; I511-K514 PolarHBondContact O-N 3.35Å; I511-A515 PolarHBondContact O-N 3.34Å; I511-A589 HydrophobicContact CG2-CB 4.14Å; I511-Q592 HydrophobicContact CG2-CB 3.86Å; I511-Q592 HydrophobicContact CG2-CG 4.06Å; I511-Y618 HydrophobicContact CD1-CE2 4.09Å
512	I	94	Very high	88.8	Confident	44 Å²	44	57.8 Å²	57.8	23%	0.226	32%	0.319	C	S	.	.	H	α-helix	trans	-67.6	-40.9	177.1	-57.4	-53.5	0	0	0	111.6	F508 D509 K514 A515 A516 A593	F508-I512 HydrophobicContact CD1-CG1 4.09Å; F508-I512 HydrophobicContact CE1-CD1 4.04Å; F508-I512 HydrophobicContact CE1-CG1 3.73Å; F508-I512 HydrophobicContact CE2-CD1 4.11Å; F508-I512 HydrophobicContact CE2-CG1 4.43Å; F508-I512 HydrophobicContact CZ-CD1 3.7Å; F508-I512 HydrophobicContact CZ-CG1 3.92Å; F508-I512 PolarHBondContact O-N 2.66Å; F508-I512 VanDerWaalsContact O-N 3.07Å; D509-I512 PolarHBondContact O-N 3.5Å; I512-K514 VanDerWaalsContact C-N 3.29Å; I512-K514 PolarHBondContact O-N 3.29Å; I512-A515 WeakPolarHBondContact O-CB 3.27Å; I512-A515 PolarHBondContact O-N 3.49Å; I512-A516 PolarHBondContact O-N 2.95Å; I512-A593 HydrophobicContact CD1-CB 4.06Å
513	E	93.4	Very high	87.2	Confident	105 Å²	105	59.9 Å²	59.9	49%	0.491	34%	0.335	S	S	.	.	H	α-helix	trans	-56.2	-44.2	172.4	-75.4	174.1	-161.3	0	0	111.5	D509 K510 A516 E517	D509-E513 WeakPolarHBondContact O-CG 3.38Å; D509-E513 PolarHBondContact O-N 3.25Å; K510-E513 WeakPolarHBondContact CD-OE2 3.49Å; K510-E513 IonicContact NZ-OE1 2.78Å; K510-E513 PolarHBondContact NZ-OE1 3.2Å; K510-E513 IonicContact NZ-OE2 3.43Å; K510-E513 PolarHBondContact NZ-OE2 2.88Å; E513-A516 PolarHBondContact O-N 2.86Å; E513-E517 PolarHBondContact O-N 2.68Å
514	K	92.6	Very high	85	Confident	57 Å²	57	61.9 Å²	61.9	25%	0.248	36%	0.361	C	S	.	.	H	α-helix	trans	-64.2	-41.9	177.8	-172.6	68.8	-168.3	166.8	0	112.1	W327 K510 I511 I512 A516 E517 I518 L585 A589	W327-K514 HydrophobicContact CH2-CB 3.97Å; W327-K514 HydrophobicContact CH2-CG 4.19Å; W327-K514 HydrophobicContact CZ3-CB 3.63Å; W327-K514 HydrophobicContact CZ3-CG 3.96Å; K510-K514 PolarHBondContact O-N 2.84Å; I511-K514 PolarHBondContact O-N 3.35Å; I512-K514 VanDerWaalsContact C-N 3.29Å; I512-K514 PolarHBondContact O-N 3.29Å; K514-A516 VanDerWaalsContact C-N 3.31Å; K514-A516 PolarHBondContact O-N 3.07Å; K514-E517 WeakPolarHBondContact CD-OE2 3.38Å; K514-E517 IonicContact NZ-OE1 3.01Å; K514-E517 IonicContact NZ-OE2 3.21Å; K514-E517 PolarHBondContact NZ-OE2 3.17Å; K514-E517 WeakPolarHBondContact O-CB 3.37Å; K514-E517 PolarHBondContact O-N 2.66Å; K514-I518 HydrophobicContact CG-CD1 4.14Å; K514-I518 WeakPolarHBondContact O-CD1 3.46Å; K514-I518 VanDerWaalsContact O-CG1 3.28Å; K514-I518 WeakPolarHBondContact O-CG1 3.25Å; K514-I518 PolarHBondContact O-N 3.34Å; K514-L585 HydrophobicContact CG-CD1 4.29Å; K514-A589 HydrophobicContact CB-CB 4.26Å; K514-A589 HydrophobicContact CG-CB 4.19Å
515	A	92.7	Very high	82.8	Confident	7 Å²	7	65.6 Å²	65.6	6%	0.058	39%	0.386	C	S	.	.	H	α-helix	trans	-61.5	-40.5	175.8	0	0	0	0	0	112.1	I511 I512 I518 A519 A589 A593	I511-A515 PolarHBondContact O-N 3.34Å; I512-A515 WeakPolarHBondContact O-CB 3.27Å; I512-A515 PolarHBondContact O-N 3.49Å; A515-I518 PolarHBondContact O-N 3.21Å; A515-A519 WeakPolarHBondContact O-CB 3.46Å; A515-A519 PolarHBondContact O-N 3.48Å; A515-A589 HydrophobicContact CB-CB 4.24Å; A515-A589 WeakPolarHBondContact CB-O 3.24Å; A515-A593 HydrophobicContact CB-CB 3.69Å
516	A	91.4	Very high	80.4	Confident	61 Å²	61	70.2 Å²	70.2	50%	0.504	42%	0.415	S	S	.	.	H	α-helix	trans	-67.3	-39.3	176.6	0	0	0	0	0	112.4	I512 E513 K514 A519 S520	I512-A516 PolarHBondContact O-N 2.95Å; E513-A516 PolarHBondContact O-N 2.86Å; K514-A516 VanDerWaalsContact C-N 3.31Å; K514-A516 PolarHBondContact O-N 3.07Å; A516-A519 PolarHBondContact O-N 3.41Å; A516-S520 WeakPolarHBondContact O-CB 3.34Å; A516-S520 PolarHBondContact O-N 2.74Å
517	E	92.1	Very high	78.1	Confident	110 Å²	110	75.8 Å²	75.8	51%	0.514	45%	0.454	S	S	.	.	H	α-helix	trans	-57	-49.8	173	-171.9	-170.1	-176.3	0	0	110.6	E513 K514 A519 S520 S521	E513-E517 PolarHBondContact O-N 2.68Å; K514-E517 WeakPolarHBondContact CD-OE2 3.38Å; K514-E517 IonicContact NZ-OE1 3.01Å; K514-E517 IonicContact NZ-OE2 3.21Å; K514-E517 PolarHBondContact NZ-OE2 3.17Å; K514-E517 WeakPolarHBondContact O-CB 3.37Å; K514-E517 PolarHBondContact O-N 2.66Å; E517-A519 PolarHBondContact O-N 2.99Å; E517-S520 PolarHBondContact O-N 3.07Å; E517-S520 PolarHBondContact O-OG 3.36Å; E517-S521 PolarHBondContact O-N 3.24Å; E517-S521 PolarHBondContact O-OG 3.19Å
518	I	89.1	Confident	76	Confident	19 Å²	19	77.9 Å²	77.9	10%	0.097	47%	0.471	C	S	.	.	H	α-helix	trans	-62.8	-44.7	179.9	-62.3	158.2	0	0	0	111.4	K514 A515 S520 S521 D522 E586 A589 Q590	K514-I518 HydrophobicContact CG-CD1 4.14Å; K514-I518 WeakPolarHBondContact O-CD1 3.46Å; K514-I518 VanDerWaalsContact O-CG1 3.28Å; K514-I518 WeakPolarHBondContact O-CG1 3.25Å; K514-I518 PolarHBondContact O-N 3.34Å; A515-I518 PolarHBondContact O-N 3.21Å; I518-S520 VanDerWaalsContact C-N 3.26Å; I518-S520 PolarHBondContact O-N 3.43Å; I518-S521 WeakPolarHBondContact CA-OG 3.45Å; I518-S521 PolarHBondContact O-N 3.01Å; I518-S521 PolarHBondContact O-OG 2.99Å; I518-D522 PolarHBondContact O-N 2.92Å; I518-E586 HydrophobicContact CD1-CB 3.72Å; I518-E586 HydrophobicContact CD1-CG 3.92Å; I518-A589 HydrophobicContact CD1-CB 4.46Å; I518-Q590 HydrophobicContact CG2-CG 4.45Å
519	A	82.9	Confident	74	Confident	61 Å²	61	86.9 Å²	86.9	50%	0.504	50%	0.503	S	S	.	.	H	α-helix	trans	-62.2	-35.1	177.9	0	0	0	0	0	112.4	A515 A516 E517 D522 S523	A515-A519 WeakPolarHBondContact O-CB 3.46Å; A515-A519 PolarHBondContact O-N 3.48Å; A516-A519 PolarHBondContact O-N 3.41Å; E517-A519 PolarHBondContact O-N 2.99Å; A519-D522 PolarHBondContact O-N 3.33Å; A519-S523 PolarHBondContact O-N 2.93Å
520	S	79.1	Confident	72.1	Confident	79 Å²	79	83.2 Å²	83.2	55%	0.552	49%	0.494	S	S	*	.	H	α-helix	trans	-67.3	-37.7	176.4	78.3	0	0	0	0	112.3	A516 E517 I518 S523	A516-S520 WeakPolarHBondContact O-CB 3.34Å; A516-S520 PolarHBondContact O-N 2.74Å; E517-S520 PolarHBondContact O-N 3.07Å; E517-S520 PolarHBondContact O-OG 3.36Å; I518-S520 VanDerWaalsContact C-N 3.26Å; I518-S520 PolarHBondContact O-N 3.43Å; S520-S523 PolarHBondContact O-OG 3.25Å
521	S	73.1	Confident	70.5	Confident	79 Å²	79	79.8 Å²	79.8	55%	0.552	48%	0.484	S	S	*	.	H	α-helix	trans	-71.8	-32.7	175.5	47.1	0	0	0	0	113.6	E517 I518	E517-S521 PolarHBondContact O-N 3.24Å; E517-S521 PolarHBondContact O-OG 3.19Å; I518-S521 WeakPolarHBondContact CA-OG 3.45Å; I518-S521 PolarHBondContact O-N 3.01Å; I518-S521 PolarHBondContact O-OG 2.99Å
522	D	63.3	Low	69	Low	72 Å²	72	88.8 Å²	88.8	39%	0.385	52%	0.523	S	S	.	.	H	α-helix	trans	-80	-15.6	-179	-81.9	-13.5	0	0	0	114	I518 A519 A524 N525	I518-D522 PolarHBondContact O-N 2.92Å; A519-D522 PolarHBondContact O-N 3.33Å; D522-A524 PolarHBondContact O-N 3.05Å; D522-N525 PolarHBondContact O-N 3.25Å
523	S	53	Low	68.2	Low	98 Å²	98	95.3 Å²	95.3	69%	0.685	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-11.6	178.1	68.6	0	0	0	0	114.4	A519 S520	A519-S523 PolarHBondContact O-N 2.93Å; S520-S523 PolarHBondContact O-OG 3.25Å
524	A	46.2	Very low	67.5	Low	87 Å²	87	95.1 Å²	95.1	72%	0.719	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-13.3	171.8	0	0	0	0	0	114.9	D522	D522-A524 PolarHBondContact O-N 3.05Å
525	N	46.1	Very low	67	Low	146 Å²	146	94.4 Å²	94.4	78%	0.781	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.9	-4.3	-169.8	-89.3	-20.4	0	0	0	116.9	D522 S527	D522-N525 PolarHBondContact O-N 3.25Å; N525-S527 PolarHBondContact O-N 3.29Å
526	V	45.6	Very low	66.7	Low	117 Å²	117	98.3 Å²	98.3	71%	0.709	57%	0.571	S	S	*	*			trans	-95.4	88.7	-175.1	-170.7	0	0	0	0	112.1	S528	V526-S528 PolarHBondContact O-N 2.93Å
527	S	43.4	Very low	66.6	Low	119 Å²	119	98.7 Å²	98.7	83%	0.832	57%	0.567	S	S	*	*			trans	-75.8	96.4	159.1	-70.4	0	0	0	0	109.7	N525 R529	N525-S527 PolarHBondContact O-N 3.29Å; S527-R529 PolarHBondContact O-N 3.24Å
528	S	49.1	Very low	66.4	Low	104 Å²	104	93.4 Å²	93.4	73%	0.727	54%	0.542	S	S	*	.			trans	-64.8	95	169.7	52.2	0	0	0	0	111	V526	V526-S528 PolarHBondContact O-N 2.93Å
529	R	47.9	Very low	66.4	Low	248 Å²	248	97.5 Å²	97.5	94%	0.936	56%	0.559	S	S	*	*			trans	-160.7	16.6	171.5	-108.1	152.9	-155.3	-143.7	8.8	117.4	S527	S527-R529 PolarHBondContact O-N 3.24Å
530	G	53.7	Low	66.6	Low	43 Å²	43	101 Å²	101	44%	0.443	57%	0.565	S	S	.	*			trans	-106.1	-22.6	-179.2	0	0	0	0	0	117.4	K532 K533	G530-K532 PolarHBondContact O-N 2.95Å; G530-K533 PolarHBondContact O-N 3.31Å
531	G	57.4	Low	67.2	Low	19 Å²	19	97.6 Å²	97.6	20%	0.196	54%	0.541	C	S	.	.	H	α-helix	trans	-55.5	-42.7	-161	0	0	0	0	0	116	K533 F534 L535	G531-K533 PolarHBondContact O-N 3.45Å; G531-F534 PolarHBondContact O-N 3.29Å; G531-L535 WeakPolarHBondContact O-CG 3.38Å; G531-L535 PolarHBondContact O-N 3.23Å
532	K	63.8	Low	68	Low	190 Å²	190	94.6 Å²	94.6	83%	0.826	52%	0.518	S	S	*	.	H	α-helix	trans	-57.7	-28.6	-174.2	-70.2	-172.1	179.2	-175.9	0	115.1	G530	G530-K532 PolarHBondContact O-N 2.95Å
533	K	76.3	Confident	69.2	Low	181 Å²	181	95.7 Å²	95.7	79%	0.787	52%	0.524	S	S	*	.	H	α-helix	trans	-77.1	-27.8	179.5	-72.3	-173.9	177.9	-178.4	0	112.9	G530 G531	G530-K533 PolarHBondContact O-N 3.31Å; G531-K533 PolarHBondContact O-N 3.45Å
534	F	79.1	Confident	70.9	Confident	101 Å²	101	95 Å²	95	44%	0.443	51%	0.506	S	S	.	.	H	α-helix	trans	-97.4	-13.2	-175.2	-64.6	-77.4	0	0	0	113.1	G531 V537 L538 L557 L561	G531-F534 PolarHBondContact O-N 3.29Å; F534-V537 PolarHBondContact O-N 3.15Å; F534-L538 WeakPolarHBondContact O-CB 3.44Å; F534-L538 PolarHBondContact O-N 2.97Å; F534-L557 HydrophobicContact CD1-CD1 4.49Å; F534-L561 HydrophobicContact CB-CD1 3.83Å
535	L	82.4	Confident	72.9	Confident	42 Å²	42	91.3 Å²	91.3	22%	0.22	48%	0.475	C	S	.	.	H	α-helix	trans	-53.3	-42.5	178	-68.6	176.7	0	0	0	114.7	G531 L538 K539 D564 I568 F569	G531-L535 WeakPolarHBondContact O-CG 3.38Å; G531-L535 PolarHBondContact O-N 3.23Å; L535-L538 PolarHBondContact O-N 3.03Å; L535-K539 WeakPolarHBondContact O-CB 3.4Å; L535-K539 PolarHBondContact O-N 3.4Å; L535-D564 HydrophobicContact CD2-CB 4.43Å; L535-I568 HydrophobicContact CD1-CD1 3.99Å; L535-I568 HydrophobicContact CD2-CD1 3.58Å; L535-I568 HydrophobicContact CG-CD1 4.46Å; L535-F569 HydrophobicContact CD2-CE2 4.25Å
536	P	86.4	Confident	74.8	Confident	89 Å²	89	85.6 Å²	85.6	58%	0.578	45%	0.446	S	S	*	.	H	α-helix	trans	-65.2	-41.3	178.2	-21.5	34.3	0	0	0	112.6	K539 E540	P536-K539 PolarHBondContact O-N 3.45Å; P536-E540 PolarHBondContact O-N 3.42Å; P536-E540 VanDerWaalsContact O-N 3.1Å
537	V	87.6	Confident	76.6	Confident	68 Å²	68	81.6 Å²	81.6	41%	0.412	42%	0.42	S	S	.	.	H	α-helix	trans	-67.2	-43.6	178.2	-179.4	0	0	0	0	110.3	F534 K539 E540 I541 L557	F534-V537 PolarHBondContact O-N 3.15Å; V537-K539 VanDerWaalsContact C-N 3.34Å; V537-K539 PolarHBondContact O-N 3.25Å; V537-E540 PolarHBondContact O-N 3.31Å; V537-I541 HydrophobicContact CG1-CD1 4.1Å; V537-I541 WeakPolarHBondContact O-CG1 3.43Å; V537-I541 PolarHBondContact O-N 2.98Å; V537-I541 VanDerWaalsContact O-N 3.15Å; V537-L557 HydrophobicContact CG1-CD2 4.48Å
538	L	88.1	Confident	78.7	Confident	0 Å²	0	77.6 Å²	77.6	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-59.5	-46	175.8	-177.2	64.1	0	0	0	110.5	F534 L535 E540 I541 L542 I558 L561 F569	F534-L538 WeakPolarHBondContact O-CB 3.44Å; F534-L538 PolarHBondContact O-N 2.97Å; L535-L538 PolarHBondContact O-N 3.03Å; L538-E540 PolarHBondContact O-N 2.94Å; L538-I541 PolarHBondContact O-N 2.91Å; L538-L542 HydrophobicContact CD1-CD1 3.9Å; L538-L542 HydrophobicContact CD1-CD2 4.49Å; L538-L542 HydrophobicContact CD1-CG 4.06Å; L538-L542 HydrophobicContact CD2-CD1 4.27Å; L538-L542 HydrophobicContact CG-CD1 3.65Å; L538-L542 HydrophobicContact CG-CG 4.19Å; L538-L542 WeakPolarHBondContact O-CB 3.46Å; L538-L542 WeakPolarHBondContact O-CG 3.14Å; L538-L542 PolarHBondContact O-N 3Å; L538-I558 HydrophobicContact CD1-CG1 4.01Å; L538-L561 HydrophobicContact CD2-CB 4.21Å; L538-L561 HydrophobicContact CD2-CD1 4.09Å; L538-F569 HydrophobicContact CD2-CD2 4.39Å; L538-F569 HydrophobicContact CD2-CE2 4.36Å
539	K	89.4	Confident	80.4	Confident	105 Å²	105	81.3 Å²	81.3	46%	0.457	40%	0.398	S	S	.	.	H	α-helix	trans	-58.3	-45.5	176.8	-175.3	176.1	178.7	-179	0	112.3	L535 P536 V537 I541 L542 D543 F569	L535-K539 WeakPolarHBondContact O-CB 3.4Å; L535-K539 PolarHBondContact O-N 3.4Å; P536-K539 PolarHBondContact O-N 3.45Å; V537-K539 VanDerWaalsContact C-N 3.34Å; V537-K539 PolarHBondContact O-N 3.25Å; K539-I541 VanDerWaalsContact C-N 3.26Å; K539-I541 PolarHBondContact O-N 3.39Å; K539-L542 PolarHBondContact O-N 2.9Å; K539-D543 VanDerWaalsContact CE-OD2 3.29Å; K539-D543 WeakPolarHBondContact CE-OD2 3.39Å; K539-D543 WeakPolarHBondContact CG-OD2 3.49Å; K539-D543 WeakPolarHBondContact O-CB 3.28Å; K539-D543 VanDerWaalsContact O-CG 3.32Å; K539-D543 PolarHBondContact O-N 3.01Å; K539-F569 HydrophobicContact CB-CE1 4.21Å; K539-F569 HydrophobicContact CB-CZ 3.93Å; K539-F569 HydrophobicContact CD-CE1 4.18Å; K539-F569 HydrophobicContact CD-CZ 4.45Å; K539-F569 HydrophobicContact CG-CE1 4.04Å; K539-F569 HydrophobicContact CG-CZ 4.26Å
540	E	88.4	Confident	82.4	Confident	134 Å²	134	71 Å²	71	63%	0.626	36%	0.362	S	S	*	.	H	α-helix	trans	-60.3	-35.4	178.3	-172.1	-176.6	166.3	0	0	112.7	P536 V537 L538	P536-E540 PolarHBondContact O-N 3.42Å; P536-E540 VanDerWaalsContact O-N 3.1Å; V537-E540 PolarHBondContact O-N 3.31Å; L538-E540 PolarHBondContact O-N 2.94Å
541	I	90.2	Very high	84.2	Confident	7 Å²	7	72 Å²	72	4%	0.036	36%	0.361	C	S	.	.	H	α-helix	trans	-71.8	-45.3	175.6	-62.9	161	0	0	0	110.6	V537 L538 K539 R544 L550 E554 L557 I558	V537-I541 HydrophobicContact CG1-CD1 4.1Å; V537-I541 WeakPolarHBondContact O-CG1 3.43Å; V537-I541 PolarHBondContact O-N 2.98Å; V537-I541 VanDerWaalsContact O-N 3.15Å; L538-I541 PolarHBondContact O-N 2.91Å; K539-I541 VanDerWaalsContact C-N 3.26Å; K539-I541 PolarHBondContact O-N 3.39Å; I541-R544 WeakPolarHBondContact O-CB 3.46Å; I541-R544 WeakPolarHBondContact O-CG 3.38Å; I541-R544 PolarHBondContact O-N 3.37Å; I541-L550 HydrophobicContact CG2-CD2 3.67Å; I541-E554 HydrophobicContact CD1-CB 4.29Å; I541-E554 HydrophobicContact CD1-CG 3.83Å; I541-E554 HydrophobicContact CG1-CG 4.18Å; I541-E554 HydrophobicContact CG2-CB 4.26Å; I541-E554 HydrophobicContact CG2-CG 4.4Å; I541-L557 HydrophobicContact CD1-CD2 4.12Å; I541-I558 HydrophobicContact CG2-CD1 4.01Å
542	L	90.4	Very high	85.7	Confident	16 Å²	16	78.2 Å²	78.2	8%	0.084	39%	0.385	C	S	.	.	H	α-helix	trans	-72.9	-25.9	-173.9	-66.4	178.1	0	0	0	113.9	L538 K539 R544 I558 F569 K575	L538-L542 HydrophobicContact CD1-CD1 3.9Å; L538-L542 HydrophobicContact CD1-CD2 4.49Å; L538-L542 HydrophobicContact CD1-CG 4.06Å; L538-L542 HydrophobicContact CD2-CD1 4.27Å; L538-L542 HydrophobicContact CG-CD1 3.65Å; L538-L542 HydrophobicContact CG-CG 4.19Å; L538-L542 WeakPolarHBondContact O-CB 3.46Å; L538-L542 WeakPolarHBondContact O-CG 3.14Å; L538-L542 PolarHBondContact O-N 3Å; K539-L542 PolarHBondContact O-N 2.9Å; L542-R544 PolarHBondContact O-N 3.19Å; L542-I558 HydrophobicContact CD2-CD1 4.27Å; L542-I558 HydrophobicContact CD2-CG1 4.33Å; L542-F569 HydrophobicContact CD1-CB 3.95Å; L542-F569 HydrophobicContact CD1-CD2 3.91Å; L542-F569 HydrophobicContact CD1-CG 4Å; L542-K575 HydrophobicContact CD2-CB 3.92Å; L542-K575 HydrophobicContact CD2-CG 4.45Å
543	D	87.6	Confident	87.1	Confident	96 Å²	96	75.5 Å²	75.5	51%	0.513	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-6.4	178	-74.3	-14.4	0	0	0	112.9	K539	K539-D543 VanDerWaalsContact CE-OD2 3.29Å; K539-D543 WeakPolarHBondContact CE-OD2 3.39Å; K539-D543 WeakPolarHBondContact CG-OD2 3.49Å; K539-D543 WeakPolarHBondContact O-CB 3.28Å; K539-D543 VanDerWaalsContact O-CG 3.32Å; K539-D543 PolarHBondContact O-N 3.01Å
544	R	89.1	Confident	87.9	Confident	82 Å²	82	68.2 Å²	68.2	31%	0.309	35%	0.348	S	S	.	.	S	Bend	trans	-70.5	148.4	178.5	-60.5	-179.6	-168.4	162	7.5	111.9	I541 L542 E554	I541-R544 WeakPolarHBondContact O-CB 3.46Å; I541-R544 WeakPolarHBondContact O-CG 3.38Å; I541-R544 PolarHBondContact O-N 3.37Å; L542-R544 PolarHBondContact O-N 3.19Å; R544-E554 IonicContact CZ-OE1 3.28Å; R544-E554 VanDerWaalsContact CZ-OE1 3.24Å; R544-E554 IonicContact NH1-OE1 3.72Å; R544-E554 PolarHBondContact NH1-OE1 3.24Å; R544-E554 IonicContact NH1-OE2 3.37Å; R544-E554 PolarHBondContact NH1-OE2 3.03Å; R544-E554 IonicContact NH2-OE1 2.69Å; R544-E554 PolarHBondContact NH2-OE1 3.28Å
545	D	88.1	Confident	88.5	Confident	11 Å²	11	65.9 Å²	65.9	6%	0.059	34%	0.339	C	S	.	.			trans	-65.1	157.7	-179.4	69.2	97.7	0	0	0	113.1	L547 S548 N998 I1001 K1025 L1030	D545-L547 PolarHBondContact O-N 3.15Å; D545-L547 VanDerWaalsContact O-N 3.07Å; D545-L547 WeakPolarHBondContact OD1-CA 3.49Å; D545-L547 WeakPolarHBondContact OD1-CB 3.43Å; D545-L547 PolarHBondContact OD1-N 3.33Å; D545-S548 VanDerWaalsContact O-CB 3.32Å; D545-S548 WeakPolarHBondContact O-CB 3.35Å; D545-S548 PolarHBondContact O-N 3.47Å; D545-S548 PolarHBondContact OD1-N 2.91Å; D545-S548 PolarHBondContact OD2-OG 3.18Å; D545-N998 WeakPolarHBondContact CA-OD1 3.46Å; D545-N998 WeakPolarHBondContact CB-OD1 3.2Å; D545-I1001 HydrophobicContact CB-CD1 4.08Å; D545-K1025 VanDerWaalsContact CG-NZ 3.34Å; D545-K1025 WeakPolarHBondContact OD1-CD 3.45Å; D545-K1025 IonicContact OD1-NZ 3.95Å; D545-K1025 PolarHBondContact OD1-NZ 3.29Å; D545-K1025 VanDerWaalsContact OD1-NZ 3.12Å; D545-K1025 WeakPolarHBondContact OD2-CE 3.28Å; D545-K1025 IonicContact OD2-NZ 3.4Å; D545-K1025 PolarHBondContact OD2-NZ 3.46Å; D545-L1030 HydrophobicContact CB-CD1 4.25Å
546	P	86.2	Confident	89	Confident	26 Å²	26	67.2 Å²	67.2	17%	0.169	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-21.7	-177.3	-26	34.6	0	0	0	116.1	N998 I1001	P546-N998 WeakPolarHBondContact CD-OD1 3.45Å; P546-N998 HydrophobicContact CG-CB 4.45Å; P546-I1001 HydrophobicContact CB-CG2 4.16Å; P546-I1001 HydrophobicContact CG-CG2 4.28Å
547	L	84.9	Confident	89.3	Confident	33 Å²	33	64.9 Å²	64.9	17%	0.173	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-10.9	178	-55.6	-177.2	0	0	0	112.7	D545 Q549 I1001 V1018 I1021	D545-L547 PolarHBondContact O-N 3.15Å; D545-L547 VanDerWaalsContact O-N 3.07Å; D545-L547 WeakPolarHBondContact OD1-CA 3.49Å; D545-L547 WeakPolarHBondContact OD1-CB 3.43Å; D545-L547 PolarHBondContact OD1-N 3.33Å; L547-Q549 PolarHBondContact O-N 3.42Å; L547-I1001 HydrophobicContact CD1-CD1 4.35Å; L547-I1001 HydrophobicContact CD1-CG1 4.44Å; L547-I1001 HydrophobicContact CD1-CG2 4.05Å; L547-I1001 HydrophobicContact CD2-CG2 3.86Å; L547-I1001 HydrophobicContact CG-CD1 4.43Å; L547-I1001 HydrophobicContact CG-CG2 3.59Å; L547-V1018 HydrophobicContact CD2-CG1 3.59Å; L547-I1021 HydrophobicContact CD1-CB 4.09Å; L547-I1021 HydrophobicContact CD1-CG2 3.88Å
548	S	86.1	Confident	89.6	Confident	34 Å²	34	61.6 Å²	61.6	24%	0.238	31%	0.309	C	S	.	.	S	Bend	trans	-71.9	115.6	177.8	-72	0	0	0	0	110.5	D545 K1025	D545-S548 VanDerWaalsContact O-CB 3.32Å; D545-S548 WeakPolarHBondContact O-CB 3.35Å; D545-S548 PolarHBondContact O-N 3.47Å; D545-S548 PolarHBondContact OD1-N 2.91Å; D545-S548 PolarHBondContact OD2-OG 3.18Å; S548-K1025 PolarHBondContact OG-NZ 3.2Å
549	Q	84.4	Confident	89.8	Confident	182 Å²	182	63.1 Å²	63.1	85%	0.85	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-68.9	134.9	176.1	-66.6	179.7	-10.2	0	0	110.9	L547	L547-Q549 PolarHBondContact O-N 3.42Å
550	L	89.9	Confident	89.9	Confident	33 Å²	33	62.8 Å²	62.8	17%	0.173	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-85.5	139.2	172.5	-62.9	170.6	0	0	0	109.6	I541 E554 M555 I558 K575 L578	I541-L550 HydrophobicContact CG2-CD2 3.67Å; L550-E554 HydrophobicContact CD2-CB 4.48Å; L550-M555 HydrophobicContact CB-CG 3.8Å; L550-M555 HydrophobicContact CB-SD 4.48Å; L550-M555 HydrophobicContact CD1-CG 4.35Å; L550-I558 HydrophobicContact CD1-CD1 3.94Å; L550-I558 HydrophobicContact CD2-CD1 4.22Å; L550-K575 HydrophobicContact CD1-CB 4.32Å; L550-L578 HydrophobicContact CD1-CB 4.41Å
551	C	91.9	Very high	90.1	Very high	64 Å²	64	57.4 Å²	57.4	43%	0.432	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-86.2	161.1	169.7	70.1	0	0	0	0	111.6	N553 E554 M555	C551-N553 VanDerWaalsContact C-N 3.28Å; C551-N553 PolarHBondContact O-N 3.29Å; C551-E554 PolarHBondContact N-OE2 2.95Å; C551-E554 WeakPolarHBondContact O-CB 3.24Å; C551-E554 PolarHBondContact O-N 3.33Å; C551-E554 WeakPolarHBondContact SG-CG 3.3Å; C551-E554 PolarHBondContact SG-OE2 3.07Å; C551-M555 PolarHBondContact O-N 3.49Å
552	E	89.9	Confident	90.2	Very high	148 Å²	148	59.5 Å²	59.5	69%	0.692	31%	0.305	S	S	*	.	H	α-helix	trans	-54	-40.8	-175.7	-67	-174.3	158.7	0	0	113.6	E554 M555 D556	E552-E554 VanDerWaalsContact C-N 3.32Å; E552-E554 PolarHBondContact O-N 3.18Å; E552-M555 HydrophobicContact CB-CE 4.32Å; E552-M555 HydrophobicContact CG-CE 3.97Å; E552-M555 PolarHBondContact O-N 3.41Å; E552-D556 PolarHBondContact O-N 2.68Å
553	N	91.9	Very high	90.2	Very high	133 Å²	133	62.5 Å²	62.5	71%	0.711	32%	0.318	S	S	*	.	H	α-helix	trans	-64.9	-35.5	178.3	-63.6	-30.3	0	0	0	112.7	C551 L557	C551-N553 VanDerWaalsContact C-N 3.28Å; C551-N553 PolarHBondContact O-N 3.29Å; N553-L557 WeakPolarHBondContact O-CB 3.18Å; N553-L557 PolarHBondContact O-N 3.06Å; N553-L557 VanDerWaalsContact O-N 3.13Å
554	E	93.5	Very high	90.3	Very high	29 Å²	29	60 Å²	60	14%	0.136	31%	0.305	C	S	.	.	H	α-helix	trans	-71.1	-41.2	176.8	-69.8	169.3	150.4	0	0	110.3	I541 R544 L550 C551 E552 L557 I558	I541-E554 HydrophobicContact CD1-CB 4.29Å; I541-E554 HydrophobicContact CD1-CG 3.83Å; I541-E554 HydrophobicContact CG1-CG 4.18Å; I541-E554 HydrophobicContact CG2-CB 4.26Å; I541-E554 HydrophobicContact CG2-CG 4.4Å; R544-E554 IonicContact CZ-OE1 3.28Å; R544-E554 VanDerWaalsContact CZ-OE1 3.24Å; R544-E554 IonicContact NH1-OE1 3.72Å; R544-E554 PolarHBondContact NH1-OE1 3.24Å; R544-E554 IonicContact NH1-OE2 3.37Å; R544-E554 PolarHBondContact NH1-OE2 3.03Å; R544-E554 IonicContact NH2-OE1 2.69Å; R544-E554 PolarHBondContact NH2-OE1 3.28Å; L550-E554 HydrophobicContact CD2-CB 4.48Å; C551-E554 PolarHBondContact N-OE2 2.95Å; C551-E554 WeakPolarHBondContact O-CB 3.24Å; C551-E554 PolarHBondContact O-N 3.33Å; C551-E554 WeakPolarHBondContact SG-CG 3.3Å; C551-E554 PolarHBondContact SG-OE2 3.07Å; E552-E554 VanDerWaalsContact C-N 3.32Å; E552-E554 PolarHBondContact O-N 3.18Å; E554-L557 PolarHBondContact O-N 3.39Å; E554-I558 VanDerWaalsContact O-CG1 3.24Å; E554-I558 WeakPolarHBondContact O-CG1 3.24Å; E554-I558 PolarHBondContact O-N 3.32Å
555	M	92.8	Very high	90.4	Very high	51 Å²	51	56 Å²	56	25%	0.251	29%	0.29	S	S	.	.	H	α-helix	trans	-60.7	-48.3	175.5	-65.6	-169.1	-67.4	0	0	111.6	L550 C551 E552 L557 I558 W559 S579	L550-M555 HydrophobicContact CB-CG 3.8Å; L550-M555 HydrophobicContact CB-SD 4.48Å; L550-M555 HydrophobicContact CD1-CG 4.35Å; C551-M555 PolarHBondContact O-N 3.49Å; E552-M555 HydrophobicContact CB-CE 4.32Å; E552-M555 HydrophobicContact CG-CE 3.97Å; E552-M555 PolarHBondContact O-N 3.41Å; M555-L557 VanDerWaalsContact C-N 3.28Å; M555-L557 PolarHBondContact O-N 3.3Å; M555-I558 PolarHBondContact O-N 2.95Å; M555-W559 PolarHBondContact O-N 3.3Å; M555-S579 WeakPolarHBondContact O-CB 3.49Å
556	D	91.9	Very high	90.7	Very high	71 Å²	71	57.7 Å²	57.7	38%	0.38	30%	0.295	S	S	.	.	H	α-helix	trans	-61.6	-37.1	177.6	-76.4	-21.9	0	0	0	111.6	E552 T560 K581	E552-D556 PolarHBondContact O-N 2.68Å; D556-T560 VanDerWaalsContact O-CB 3.29Å; D556-T560 WeakPolarHBondContact O-CB 3.23Å; D556-T560 PolarHBondContact O-N 3.45Å; D556-T560 PolarHBondContact O-OG1 3.21Å; D556-K581 IonicContact OD1-NZ 3.52Å; D556-K581 PolarHBondContact OD1-NZ 3.2Å
557	L	92	Very high	90.9	Very high	39 Å²	39	62.4 Å²	62.4	20%	0.204	32%	0.315	C	S	.	.	H	α-helix	trans	-66.2	-46.4	175.5	-179	63.8	0	0	0	112	F534 V537 I541 N553 E554 M555 W559 T560 L561	F534-L557 HydrophobicContact CD1-CD1 4.49Å; V537-L557 HydrophobicContact CG1-CD2 4.48Å; I541-L557 HydrophobicContact CD1-CD2 4.12Å; N553-L557 WeakPolarHBondContact O-CB 3.18Å; N553-L557 PolarHBondContact O-N 3.06Å; N553-L557 VanDerWaalsContact O-N 3.13Å; E554-L557 PolarHBondContact O-N 3.39Å; M555-L557 VanDerWaalsContact C-N 3.28Å; M555-L557 PolarHBondContact O-N 3.3Å; L557-W559 VanDerWaalsContact C-N 3.34Å; L557-W559 PolarHBondContact O-N 2.94Å; L557-T560 PolarHBondContact O-N 3.07Å; L557-L561 HydrophobicContact CD1-CD1 3.7Å; L557-L561 HydrophobicContact CD1-CG 4.14Å; L557-L561 HydrophobicContact CG-CD1 4.18Å; L557-L561 PolarHBondContact O-N 3.4Å
558	I	94.2	Very high	91.2	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-60.1	-45.8	178	-67.8	163.3	0	0	0	110	L538 I541 L542 L550 E554 M555 L561 R562 L576	L538-I558 HydrophobicContact CD1-CG1 4.01Å; I541-I558 HydrophobicContact CG2-CD1 4.01Å; L542-I558 HydrophobicContact CD2-CD1 4.27Å; L542-I558 HydrophobicContact CD2-CG1 4.33Å; L550-I558 HydrophobicContact CD1-CD1 3.94Å; L550-I558 HydrophobicContact CD2-CD1 4.22Å; E554-I558 VanDerWaalsContact O-CG1 3.24Å; E554-I558 WeakPolarHBondContact O-CG1 3.24Å; E554-I558 PolarHBondContact O-N 3.32Å; M555-I558 PolarHBondContact O-N 2.95Å; I558-L561 CarbonylContact O-C 3.51Å; I558-L561 PolarHBondContact O-N 3.34Å; I558-R562 PolarHBondContact O-N 3.37Å; I558-L576 HydrophobicContact CG2-CB 4.1Å; I558-L576 HydrophobicContact CG2-CD1 3.79Å
559	W	93.8	Very high	91.5	Very high	32 Å²	32	64.1 Å²	64.1	12%	0.121	32%	0.32	C	S	.	.	H	α-helix	trans	-64.6	-40.2	177.2	-173.3	-114.5	0	0	0	112.2	M555 L557 L561 R562 L576 I580 D587 Q590 L591	M555-W559 PolarHBondContact O-N 3.3Å; L557-W559 VanDerWaalsContact C-N 3.34Å; L557-W559 PolarHBondContact O-N 2.94Å; W559-L561 VanDerWaalsContact C-N 3.33Å; W559-L561 PolarHBondContact O-N 3.1Å; W559-R562 WeakPolarHBondContact O-CB 3.35Å; W559-R562 WeakPolarHBondContact O-CD 3.31Å; W559-R562 WeakPolarHBondContact O-CG 3.4Å; W559-R562 PolarHBondContact O-N 2.87Å; W559-R562 PolarHBondContact O-NH1 2.89Å; W559-L576 HydrophobicContact CE3-CD1 3.88Å; W559-L576 HydrophobicContact CZ3-CD1 4.35Å; W559-I580 HydrophobicContact CE3-CB 4.31Å; W559-I580 HydrophobicContact CE3-CG1 4.47Å; W559-I580 HydrophobicContact CH2-CD1 3.88Å; W559-I580 HydrophobicContact CH2-CG1 4.04Å; W559-I580 HydrophobicContact CZ3-CB 4.1Å; W559-I580 HydrophobicContact CZ3-CD1 4.02Å; W559-I580 HydrophobicContact CZ3-CG1 3.99Å; W559-D587 HydrophobicContact CH2-CB 4.43Å; W559-D587 WeakPolarHBondContact CH2-O 3.37Å; W559-D587 HydrophobicContact CZ2-CB 3.87Å; W559-Q590 HydrophobicContact CH2-CB 4.44Å; W559-Q590 HydrophobicContact CZ2-CB 4.4Å; W559-L591 HydrophobicContact CH2-CB 4.04Å; W559-L591 HydrophobicContact CZ3-CB 4.29Å; W559-L591 HydrophobicContact CZ3-CD1 4.38Å
560	T	91.1	Very high	92	Very high	98 Å²	98	57.1 Å²	57.1	60%	0.601	29%	0.29	S	S	*	.	H	α-helix	trans	-61.4	-41.7	176.5	-61.3	0	0	0	0	111.6	D556 L557	D556-T560 VanDerWaalsContact O-CB 3.29Å; D556-T560 WeakPolarHBondContact O-CB 3.23Å; D556-T560 PolarHBondContact O-N 3.45Å; D556-T560 PolarHBondContact O-OG1 3.21Å; L557-T560 PolarHBondContact O-N 3.07Å
561	L	91.4	Very high	92.2	Very high	21 Å²	21	59.7 Å²	59.7	11%	0.11	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	19.1	-178	-59.8	179.8	0	0	0	113.5	F534 L538 L557 I558 W559 Q563 D564 C565	F534-L561 HydrophobicContact CB-CD1 3.83Å; L538-L561 HydrophobicContact CD2-CB 4.21Å; L538-L561 HydrophobicContact CD2-CD1 4.09Å; L557-L561 HydrophobicContact CD1-CD1 3.7Å; L557-L561 HydrophobicContact CD1-CG 4.14Å; L557-L561 HydrophobicContact CG-CD1 4.18Å; L557-L561 PolarHBondContact O-N 3.4Å; I558-L561 CarbonylContact O-C 3.51Å; I558-L561 PolarHBondContact O-N 3.34Å; W559-L561 VanDerWaalsContact C-N 3.33Å; W559-L561 PolarHBondContact O-N 3.1Å; L561-Q563 PolarHBondContact O-N 2.67Å; L561-D564 HydrophobicContact CB-CB 4.43Å; L561-D564 WeakPolarHBondContact O-CA 3.31Å; L561-D564 WeakPolarHBondContact O-CB 3.29Å; L561-D564 PolarHBondContact O-N 3.12Å; L561-C565 PolarHBondContact O-N 3.13Å; L561-C565 PolarHBondContact O-SG 2.91Å
562	R	92.8	Very high	92.3	Very high	50 Å²	50	56.7 Å²	56.7	19%	0.189	28%	0.281	C	S	.	.	H	α-helix	trans	-53.1	-30.8	-173.9	63.7	-165.6	177.5	-78.1	5.2	115.8	I558 W559 C565 R566 L576 L594	I558-R562 PolarHBondContact O-N 3.37Å; W559-R562 WeakPolarHBondContact O-CB 3.35Å; W559-R562 WeakPolarHBondContact O-CD 3.31Å; W559-R562 WeakPolarHBondContact O-CG 3.4Å; W559-R562 PolarHBondContact O-N 2.87Å; W559-R562 PolarHBondContact O-NH1 2.89Å; R562-C565 WeakPolarHBondContact O-CB 3.36Å; R562-R566 PolarHBondContact O-N 3.42Å; R562-R566 VanDerWaalsContact O-N 3.17Å; R562-L576 HydrophobicContact CB-CD1 3.73Å; R562-L576 HydrophobicContact CB-CD2 4.36Å; R562-L594 HydrophobicContact CB-CD1 4.12Å; R562-L594 HydrophobicContact CG-CD1 3.79Å
563	Q	90.6	Very high	92.6	Very high	79 Å²	79	49.7 Å²	49.7	37%	0.369	25%	0.248	S	C	.	.	H	α-helix	trans	-73	-41.5	174.7	-61.8	-64.6	-5.7	0	0	112.1	L561 C565 R566 E567	L561-Q563 PolarHBondContact O-N 2.67Å; Q563-C565 VanDerWaalsContact C-N 3.3Å; Q563-C565 PolarHBondContact O-N 2.93Å; Q563-R566 PolarHBondContact O-N 3.48Å; Q563-E567 WeakPolarHBondContact O-CG 3.29Å; Q563-E567 PolarHBondContact O-N 3.28Å
564	D	89.9	Confident	92.8	Very high	43 Å²	43	43.4 Å²	43.4	23%	0.23	22%	0.215	C	C	.	.	H	α-helix	trans	-63.9	-38.2	174	-67.1	-27.5	0	0	0	110.3	L535 L561 R566 E567 I568	L535-D564 HydrophobicContact CD2-CB 4.43Å; L561-D564 HydrophobicContact CB-CB 4.43Å; L561-D564 WeakPolarHBondContact O-CA 3.31Å; L561-D564 WeakPolarHBondContact O-CB 3.29Å; L561-D564 PolarHBondContact O-N 3.12Å; D564-R566 PolarHBondContact O-N 2.98Å; D564-E567 PolarHBondContact O-N 3.24Å; D564-I568 HydrophobicContact CB-CD1 4.45Å; D564-I568 WeakPolarHBondContact O-CB 3.41Å; D564-I568 PolarHBondContact O-N 3.41Å
565	C	92	Very high	92.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-56.5	-48.9	172.5	-65	0	0	0	0	111.4	L561 R562 Q563 E567 F569 W598	L561-C565 PolarHBondContact O-N 3.13Å; L561-C565 PolarHBondContact O-SG 2.91Å; R562-C565 WeakPolarHBondContact O-CB 3.36Å; Q563-C565 VanDerWaalsContact C-N 3.3Å; Q563-C565 PolarHBondContact O-N 2.93Å; C565-E567 PolarHBondContact O-N 3.39Å; C565-F569 CarbonylContact O-C 3.52Å; C565-F569 VanDerWaalsContact O-CA 3.26Å; C565-F569 WeakPolarHBondContact O-CA 3.06Å; C565-F569 PolarHBondContact O-N 3.24Å; C565-W598 HydrophobicContact CB-CH2 4.17Å
566	R	93.6	Very high	93	Very high	46 Å²	46	40.5 Å²	40.5	17%	0.174	20%	0.2	C	C	.	.	H	α-helix	trans	-62.3	-43.1	178.5	-174.8	-163.1	64.8	-163.9	-5.5	112.6	R562 Q563 D564 W598	R562-R566 PolarHBondContact O-N 3.42Å; R562-R566 VanDerWaalsContact O-N 3.17Å; Q563-R566 PolarHBondContact O-N 3.48Å; D564-R566 PolarHBondContact O-N 2.98Å; R566-W598 HydrophobicContact CB-CD2 4.41Å; R566-W598 HydrophobicContact CB-CE3 3.88Å; R566-W598 HydrophobicContact CB-CH2 3.95Å; R566-W598 HydrophobicContact CB-CZ2 4.45Å; R566-W598 HydrophobicContact CB-CZ3 3.62Å; R566-W598 HydrophobicContact CG-CD2 4.03Å; R566-W598 HydrophobicContact CG-CE3 3.79Å; R566-W598 HydrophobicContact CG-CZ3 4.09Å
567	E	90.4	Very high	93.2	Very high	125 Å²	125	37.2 Å²	37.2	58%	0.584	18%	0.183	S	C	*	.	H	α-helix	trans	-79.3	-36.2	-172.4	-72.6	176.3	-166.5	0	0	113.3	Q563 D564 C565	Q563-E567 WeakPolarHBondContact O-CG 3.29Å; Q563-E567 PolarHBondContact O-N 3.28Å; D564-E567 PolarHBondContact O-N 3.24Å; C565-E567 PolarHBondContact O-N 3.39Å
568	I	91.1	Very high	93.2	Very high	80 Å²	80	38.3 Å²	38.3	41%	0.41	19%	0.189	S	C	.	.	H	α-helix	trans	-107	-33.1	-171.5	-54.9	171.8	0	0	0	111.6	L535 D564	L535-I568 HydrophobicContact CD1-CD1 3.99Å; L535-I568 HydrophobicContact CD2-CD1 3.58Å; L535-I568 HydrophobicContact CG-CD1 4.46Å; D564-I568 HydrophobicContact CB-CD1 4.45Å; D564-I568 WeakPolarHBondContact O-CB 3.41Å; D564-I568 PolarHBondContact O-N 3.41Å
569	F	93.4	Very high	93.2	Very high	23 Å²	23	38.6 Å²	38.6	10%	0.101	19%	0.19	C	C	.	.			trans	-132	61.6	-174.6	-53.4	-73.2	0	0	0	112.5	L535 L538 K539 L542 C565 Q571 S572	L535-F569 HydrophobicContact CD2-CE2 4.25Å; L538-F569 HydrophobicContact CD2-CD2 4.39Å; L538-F569 HydrophobicContact CD2-CE2 4.36Å; K539-F569 HydrophobicContact CB-CE1 4.21Å; K539-F569 HydrophobicContact CB-CZ 3.93Å; K539-F569 HydrophobicContact CD-CE1 4.18Å; K539-F569 HydrophobicContact CD-CZ 4.45Å; K539-F569 HydrophobicContact CG-CE1 4.04Å; K539-F569 HydrophobicContact CG-CZ 4.26Å; L542-F569 HydrophobicContact CD1-CB 3.95Å; L542-F569 HydrophobicContact CD1-CD2 3.91Å; L542-F569 HydrophobicContact CD1-CG 4Å; C565-F569 CarbonylContact O-C 3.52Å; C565-F569 VanDerWaalsContact O-CA 3.26Å; C565-F569 WeakPolarHBondContact O-CA 3.06Å; C565-F569 PolarHBondContact O-N 3.24Å; F569-Q571 PolarHBondContact O-N 3.2Å; F569-S572 WeakPolarHBondContact O-CB 3.4Å; F569-S572 PolarHBondContact O-N 3.41Å; F569-S572 PolarHBondContact O-OG 2.92Å
570	P	94.5	Very high	93.2	Very high	35 Å²	35	37.2 Å²	37.2	23%	0.227	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-51.4	-34.4	-178.4	-25.1	32.1	0	0	0	114.3	S572 L573 W598 P599 L601	P570-S572 PolarHBondContact O-N 3.37Å; P570-S572 VanDerWaalsContact O-N 3.07Å; P570-L573 PolarHBondContact O-N 3.02Å; P570-W598 WeakPolarHBondContact O-CZ2 3.32Å; P570-W598 PolarHBondContact O-NE1 3.01Å; P570-P599 HydrophobicContact CB-CB 4.39Å; P570-P599 HydrophobicContact CB-CG 4.37Å; P570-P599 HydrophobicContact CG-CG 4.29Å; P570-L601 HydrophobicContact CB-CD2 4.22Å; P570-L601 VanDerWaalsContact O-CD2 3.29Å; P570-L601 WeakPolarHBondContact O-CD2 3.33Å
571	Q	93.1	Very high	93.3	Very high	86 Å²	86	36.7 Å²	36.7	40%	0.402	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-61.5	-11.8	175.9	69.5	-83.8	21.6	0	0	114.4	F569 L573 P574 E605	F569-Q571 PolarHBondContact O-N 3.2Å; Q571-L573 VanDerWaalsContact C-N 3.27Å; Q571-L573 PolarHBondContact O-N 3.49Å; Q571-P574 VanDerWaalsContact O-CD 3.26Å; Q571-P574 WeakPolarHBondContact O-CD 3.49Å; Q571-E605 WeakPolarHBondContact CB-OE2 3.04Å
572	S	94.5	Very high	93.4	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.014	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-78.1	-5.6	177.9	68.2	0	0	0	0	114.6	F569 P570 P574 K575 L576	F569-S572 WeakPolarHBondContact O-CB 3.4Å; F569-S572 PolarHBondContact O-N 3.41Å; F569-S572 PolarHBondContact O-OG 2.92Å; P570-S572 PolarHBondContact O-N 3.37Å; P570-S572 VanDerWaalsContact O-N 3.07Å; S572-P574 VanDerWaalsContact C-N 3.31Å; S572-K575 PolarHBondContact O-N 3.24Å; S572-L576 PolarHBondContact O-N 2.9Å
573	L	96.4	Very high	93.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-47.3	-44.7	-178.6	-178.3	58.6	0	0	0	113.9	P570 Q571 K575 L576 L577 L595 W598 L601 L609 Y622	P570-L573 PolarHBondContact O-N 3.02Å; Q571-L573 VanDerWaalsContact C-N 3.27Å; Q571-L573 PolarHBondContact O-N 3.49Å; L573-K575 VanDerWaalsContact C-N 3.29Å; L573-K575 PolarHBondContact O-N 3.44Å; L573-L576 HydrophobicContact CD1-CD2 4.47Å; L573-L576 PolarHBondContact O-N 3.44Å; L573-L577 HydrophobicContact CD1-CD1 4.03Å; L573-L577 HydrophobicContact CD1-CD2 4.4Å; L573-L577 HydrophobicContact CD1-CG 3.94Å; L573-L577 HydrophobicContact CG-CD1 3.85Å; L573-L577 HydrophobicContact CG-CG 4.25Å; L573-L577 VanDerWaalsContact O-CG 3.24Å; L573-L577 WeakPolarHBondContact O-CG 3.43Å; L573-L577 PolarHBondContact O-N 3.06Å; L573-L595 HydrophobicContact CD1-CD1 4.27Å; L573-L595 HydrophobicContact CD2-CD1 3.86Å; L573-W598 HydrophobicContact CB-CD2 4.46Å; L573-W598 HydrophobicContact CB-CZ2 3.73Å; L573-W598 HydrophobicContact CD1-CD2 3.89Å; L573-W598 HydrophobicContact CD1-CE3 4.05Å; L573-W598 HydrophobicContact CD1-CG 4.41Å; L573-W598 HydrophobicContact CD1-CH2 4.31Å; L573-W598 HydrophobicContact CD1-CZ2 4.16Å; L573-W598 HydrophobicContact CD1-CZ3 4.26Å; L573-W598 HydrophobicContact CD2-CD2 4.43Å; L573-W598 HydrophobicContact CD2-CG 4.19Å; L573-W598 HydrophobicContact CG-CD2 4.49Å; L573-W598 HydrophobicContact CG-CZ2 4.49Å; L573-L601 HydrophobicContact CB-CD1 4.24Å; L573-L601 HydrophobicContact CD2-CD1 4.21Å; L573-L609 HydrophobicContact CD2-CD1 3.94Å; L573-Y622 HydrophobicContact CD2-CD1 4.09Å; L573-Y622 HydrophobicContact CD2-CE1 3.63Å
574	P	95.6	Very high	93.7	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.013	18%	0.177	C	C	.	.	H	α-helix	trans	-58.8	-41.1	178.1	-18.9	30.4	0	0	0	112.3	Q571 S572 L577 L578 E608 L609 Y614	Q571-P574 VanDerWaalsContact O-CD 3.26Å; Q571-P574 WeakPolarHBondContact O-CD 3.49Å; S572-P574 VanDerWaalsContact C-N 3.31Å; P574-L577 PolarHBondContact O-N 2.91Å; P574-L578 WeakPolarHBondContact O-CG 3.29Å; P574-L578 PolarHBondContact O-N 3.49Å; P574-L578 VanDerWaalsContact O-N 3.13Å; P574-E608 HydrophobicContact CB-CG 4.16Å; P574-E608 WeakPolarHBondContact CB-OE1 3.43Å; P574-E608 HydrophobicContact CG-CG 4.37Å; P574-L609 HydrophobicContact CB-CD2 3.98Å; P574-L609 HydrophobicContact CG-CD2 3.79Å; P574-Y614 HydrophobicContact CB-CE1 4.19Å; P574-Y614 WeakPolarHBondContact CB-OH 3.24Å; P574-Y614 WeakPolarHBondContact O-CE1 3.43Å; P574-Y614 PolarHBondContact O-OH 2.86Å
575	K	94.8	Very high	93.8	Very high	18 Å²	18	35.8 Å²	35.8	8%	0.078	17%	0.171	C	C	.	.	H	α-helix	trans	-71.9	-35.5	-178.9	-72.4	63	178.7	158.6	0	110.8	L542 L550 S572 L573 L578 S579 E608	L542-K575 HydrophobicContact CD2-CB 3.92Å; L542-K575 HydrophobicContact CD2-CG 4.45Å; L550-K575 HydrophobicContact CD1-CB 4.32Å; S572-K575 PolarHBondContact O-N 3.24Å; L573-K575 VanDerWaalsContact C-N 3.29Å; L573-K575 PolarHBondContact O-N 3.44Å; K575-L578 PolarHBondContact O-N 2.91Å; K575-S579 PolarHBondContact O-N 3.31Å; K575-E608 IonicContact NZ-OE1 3.54Å; K575-E608 PolarHBondContact NZ-OE1 3.4Å; K575-E608 IonicContact NZ-OE2 2.91Å; K575-E608 PolarHBondContact NZ-OE2 3.17Å
576	L	95.7	Very high	93.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.8	-43.2	171.2	177.7	67.5	0	0	0	111.7	I558 W559 R562 S572 L573 L578 S579 I580 W598	I558-L576 HydrophobicContact CG2-CB 4.1Å; I558-L576 HydrophobicContact CG2-CD1 3.79Å; W559-L576 HydrophobicContact CE3-CD1 3.88Å; W559-L576 HydrophobicContact CZ3-CD1 4.35Å; R562-L576 HydrophobicContact CB-CD1 3.73Å; R562-L576 HydrophobicContact CB-CD2 4.36Å; S572-L576 PolarHBondContact O-N 2.9Å; L573-L576 HydrophobicContact CD1-CD2 4.47Å; L573-L576 PolarHBondContact O-N 3.44Å; L576-L578 VanDerWaalsContact C-N 3.26Å; L576-L578 PolarHBondContact O-N 2.89Å; L576-S579 PolarHBondContact O-N 3.07Å; L576-S579 PolarHBondContact O-OG 3.39Å; L576-I580 PolarHBondContact O-N 2.85Å; L576-W598 HydrophobicContact CD2-CE3 4.35Å; L576-W598 HydrophobicContact CD2-CH2 3.51Å; L576-W598 HydrophobicContact CD2-CZ3 3.31Å
577	L	95.6	Very high	93.8	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-66.9	-25.9	179.3	-70.4	168.6	0	0	0	113.5	L573 P574 I580 W582 L591 L609 Y614 V619	L573-L577 HydrophobicContact CD1-CD1 4.03Å; L573-L577 HydrophobicContact CD1-CD2 4.4Å; L573-L577 HydrophobicContact CD1-CG 3.94Å; L573-L577 HydrophobicContact CG-CD1 3.85Å; L573-L577 HydrophobicContact CG-CG 4.25Å; L573-L577 VanDerWaalsContact O-CG 3.24Å; L573-L577 WeakPolarHBondContact O-CG 3.43Å; L573-L577 PolarHBondContact O-N 3.06Å; P574-L577 PolarHBondContact O-N 2.91Å; L577-I580 WeakPolarHBondContact O-CG2 3.43Å; L577-W582 HydrophobicContact CD2-CZ2 4.48Å; L577-W582 PolarHBondContact O-NE1 2.67Å; L577-L591 HydrophobicContact CD2-CD1 3.72Å; L577-L591 HydrophobicContact CD2-CD2 3.58Å; L577-L591 HydrophobicContact CD2-CG 4.11Å; L577-L609 HydrophobicContact CD1-CD2 3.58Å; L577-Y614 HydrophobicContact CB-CD1 3.86Å; L577-Y614 HydrophobicContact CB-CE1 3.84Å; L577-Y614 HydrophobicContact CD1-CD1 3.96Å; L577-Y614 HydrophobicContact CD1-CE1 4.31Å; L577-V619 HydrophobicContact CD1-CG1 3.62Å; L577-V619 HydrophobicContact CD1-CG2 4.03Å; L577-V619 HydrophobicContact CD2-CG2 3.64Å; L577-V619 HydrophobicContact CG-CG2 4.49Å
578	L	93.3	Very high	94.1	Very high	63 Å²	63	32.8 Å²	32.8	33%	0.33	16%	0.16	S	C	.	.	H	α-helix	trans	-79.3	-21.6	171.1	-67.7	175.4	0	0	0	112.9	L550 P574 K575 L576 N613 Y614	L550-L578 HydrophobicContact CD1-CB 4.41Å; P574-L578 WeakPolarHBondContact O-CG 3.29Å; P574-L578 PolarHBondContact O-N 3.49Å; P574-L578 VanDerWaalsContact O-N 3.13Å; K575-L578 PolarHBondContact O-N 2.91Å; L576-L578 VanDerWaalsContact C-N 3.26Å; L576-L578 PolarHBondContact O-N 2.89Å; L578-N613 HydrophobicContact CD2-CB 3.9Å; L578-Y614 HydrophobicContact CD2-CE1 4.18Å; L578-Y614 HydrophobicContact CG-CE1 4.05Å
579	S	93.4	Very high	94.3	Very high	5 Å²	5	29 Å²	29	4%	0.035	14%	0.141	C	C	.	.	H	α-helix	trans	-84.2	-14.6	-176.2	72.3	0	0	0	0	114.6	M555 K575 L576	M555-S579 WeakPolarHBondContact O-CB 3.49Å; K575-S579 PolarHBondContact O-N 3.31Å; L576-S579 PolarHBondContact O-N 3.07Å; L576-S579 PolarHBondContact O-OG 3.39Å
580	I	93.2	Very high	94.3	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.021	14%	0.142	C	C	.	.	S	Bend	trans	-78.3	145.3	-178.4	-171.2	178.5	0	0	0	111.7	W559 L576 L577 W582 D587 V588 L591	W559-I580 HydrophobicContact CE3-CB 4.31Å; W559-I580 HydrophobicContact CE3-CG1 4.47Å; W559-I580 HydrophobicContact CH2-CD1 3.88Å; W559-I580 HydrophobicContact CH2-CG1 4.04Å; W559-I580 HydrophobicContact CZ3-CB 4.1Å; W559-I580 HydrophobicContact CZ3-CD1 4.02Å; W559-I580 HydrophobicContact CZ3-CG1 3.99Å; L576-I580 PolarHBondContact O-N 2.85Å; L577-I580 WeakPolarHBondContact O-CG2 3.43Å; I580-W582 HydrophobicContact CG2-CD2 4.09Å; I580-W582 VanDerWaalsContact CG2-CE2 3.49Å; I580-W582 HydrophobicContact CG2-CG 4.13Å; I580-W582 HydrophobicContact CG2-CZ2 3.99Å; I580-W582 PolarHBondContact O-N 3.38Å; I580-D587 HydrophobicContact CD1-CB 4.21Å; I580-D587 HydrophobicContact CG1-CB 3.94Å; I580-V588 HydrophobicContact CD1-CG2 4.33Å; I580-L591 HydrophobicContact CD1-CB 3.51Å; I580-L591 HydrophobicContact CD1-CD2 3.41Å; I580-L591 VanDerWaalsContact CD1-CD2 3.41Å; I580-L591 HydrophobicContact CD1-CG 4Å; I580-L591 HydrophobicContact CG2-CD2 4.21Å
581	K	93.2	Very high	94.4	Very high	86 Å²	86	27.7 Å²	27.7	37%	0.374	13%	0.132	S	C	.	.			trans	-86.7	97.8	170.5	-66.7	173.1	-174.6	163.4	0	109.3	D556 N583 K584	D556-K581 IonicContact OD1-NZ 3.52Å; D556-K581 PolarHBondContact OD1-NZ 3.2Å; K581-N583 PolarHBondContact O-N 3.12Å; K581-N583 VanDerWaalsContact O-N 3.14Å; K581-K584 HydrophobicContact CB-CD 4.35Å; K581-K584 PolarHBondContact O-N 2.88Å
582	W	95.4	Very high	94.5	Very high	11 Å²	11	23.6 Å²	23.6	4%	0.042	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-9.7	-177.7	-73.1	93.1	0	0	0	114.2	H359 L364 P395 L577 I580 K584 V588 L591 D616 V619	H359-W582 HydrophobicContact CB-CB 4.24Å; H359-W582 HydrophobicContact CB-CG 4.5Å; H359-W582 AromaticContact CD2-CD1 3.77Å; H359-W582 AromaticContact CD2-CD2 3.5Å; H359-W582 VanDerWaalsContact CD2-CD2 3.5Å; H359-W582 AromaticContact CD2-CE2 3.69Å; H359-W582 AromaticContact CD2-CG 3.55Å; H359-W582 AromaticContact CD2-NE1 3.8Å; H359-W582 AromaticContact CE1-CD2 3.73Å; H359-W582 AromaticContact CE1-CE3 3.46Å; H359-W582 VanDerWaalsContact CE1-CE3 3.46Å; H359-W582 AromaticContact CE1-CZ3 3.73Å; H359-W582 AromaticContact CG-CG 3.95Å; H359-W582 AromaticContact NE2-CD2 3.29Å; H359-W582 VanDerWaalsContact NE2-CD2 3.29Å; H359-W582 AromaticContact NE2-CE2 3.39Å; H359-W582 AromaticContact NE2-CE3 3.46Å; H359-W582 AromaticContact NE2-CG 3.9Å; H359-W582 AromaticContact NE2-CH2 3.84Å; H359-W582 AromaticContact NE2-CZ2 3.68Å; H359-W582 AromaticContact NE2-CZ3 3.73Å; H359-W582 AromaticContact NE2-NE1 3.96Å; L364-W582 HydrophobicContact CD2-CB 3.94Å; P395-W582 HydrophobicContact CB-CE3 4.32Å; L577-W582 HydrophobicContact CD2-CZ2 4.48Å; L577-W582 PolarHBondContact O-NE1 2.67Å; I580-W582 HydrophobicContact CG2-CD2 4.09Å; I580-W582 VanDerWaalsContact CG2-CE2 3.49Å; I580-W582 HydrophobicContact CG2-CG 4.13Å; I580-W582 HydrophobicContact CG2-CZ2 3.99Å; I580-W582 PolarHBondContact O-N 3.38Å; W582-K584 VanDerWaalsContact C-N 3.3Å; W582-V588 HydrophobicContact CE3-CG2 3.89Å; W582-V588 HydrophobicContact CZ3-CG1 4.39Å; W582-V588 HydrophobicContact CZ3-CG2 4.42Å; W582-L591 HydrophobicContact CH2-CD2 3.71Å; W582-L591 HydrophobicContact CZ2-CD2 3.87Å; W582-L591 HydrophobicContact CZ3-CD2 4.42Å; W582-D616 HydrophobicContact CH2-CB 3.46Å; W582-D616 VanDerWaalsContact CH2-CB 3.46Å; W582-D616 HydrophobicContact CZ2-CB 4.3Å; W582-D616 HydrophobicContact CZ3-CB 3.84Å; W582-V619 HydrophobicContact CH2-CG2 4.5Å
583	N	94.1	Very high	94.5	Very high	53 Å²	53	24.7 Å²	24.7	28%	0.283	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	18	174.7	67.1	-1.2	0	0	0	113.9	L364 I389 D393 K581	L364-N583 HydrophobicContact CB-CB 4.5Å; L364-N583 HydrophobicContact CD2-CB 4.06Å; L364-N583 PolarHBondContact O-ND2 3Å; L364-N583 VanDerWaalsContact O-ND2 3.14Å; I389-N583 HydrophobicContact CD1-CB 3.88Å; D393-N583 WeakPolarHBondContact CB-O 3.43Å; K581-N583 PolarHBondContact O-N 3.12Å; K581-N583 VanDerWaalsContact O-N 3.14Å
584	K	93.6	Very high	94.4	Very high	91 Å²	91	25 Å²	25	40%	0.396	12%	0.124	S	C	.	.			trans	-133.3	121.8	175.1	-68.3	-177.7	177.1	-173	0	110.8	K581 W582 E586 D587 V588	K581-K584 HydrophobicContact CB-CD 4.35Å; K581-K584 PolarHBondContact O-N 2.88Å; W582-K584 VanDerWaalsContact C-N 3.3Å; K584-E586 VanDerWaalsContact C-N 3.3Å; K584-E586 PolarHBondContact O-N 3.26Å; K584-D587 HydrophobicContact CB-CB 4.32Å; K584-D587 WeakPolarHBondContact CD-OD2 3.48Å; K584-D587 PolarHBondContact O-N 2.69Å; K584-V588 WeakPolarHBondContact O-CG2 3.24Å; K584-V588 PolarHBondContact O-N 3.27Å
585	L	93	Very high	94.4	Very high	19 Å²	19	25.3 Å²	25.3	10%	0.099	13%	0.125	C	C	.	.	H	α-helix	trans	-64.9	-33	-177.3	74.5	89.9	0	0	0	112.9	C392 D393 K514 V588 A589	C392-L585 HydrophobicContact CB-CD2 4.18Å; D393-L585 PolarHBondContact OD1-N 2.93Å; K514-L585 HydrophobicContact CG-CD1 4.29Å; L585-V588 PolarHBondContact O-N 3.03Å; L585-A589 WeakPolarHBondContact O-CB 3.46Å; L585-A589 PolarHBondContact O-N 3.12Å
586	E	92.7	Very high	94.4	Very high	80 Å²	80	30.1 Å²	30.1	37%	0.374	15%	0.148	S	C	.	.	H	α-helix	trans	-67	-42.6	-177.2	-63.8	80.6	-172.4	0	0	111.9	I518 K584 A589 Q590	I518-E586 HydrophobicContact CD1-CB 3.72Å; I518-E586 HydrophobicContact CD1-CG 3.92Å; K584-E586 VanDerWaalsContact C-N 3.3Å; K584-E586 PolarHBondContact O-N 3.26Å; E586-A589 PolarHBondContact O-N 3.15Å; E586-Q590 WeakPolarHBondContact O-CG 3.4Å; E586-Q590 PolarHBondContact O-N 3.12Å; E586-Q590 VanDerWaalsContact O-N 3.15Å
587	D	93.8	Very high	94.3	Very high	26 Å²	26	34.8 Å²	34.8	14%	0.139	17%	0.172	C	C	.	.	H	α-helix	trans	-66.5	-45.4	178.1	-70.2	-24.6	0	0	0	109.6	W559 I580 K584 A589 Q590 L591	W559-D587 HydrophobicContact CH2-CB 4.43Å; W559-D587 WeakPolarHBondContact CH2-O 3.37Å; W559-D587 HydrophobicContact CZ2-CB 3.87Å; I580-D587 HydrophobicContact CD1-CB 4.21Å; I580-D587 HydrophobicContact CG1-CB 3.94Å; K584-D587 HydrophobicContact CB-CB 4.32Å; K584-D587 WeakPolarHBondContact CD-OD2 3.48Å; K584-D587 PolarHBondContact O-N 2.69Å; D587-A589 PolarHBondContact O-N 3.44Å; D587-Q590 PolarHBondContact O-N 3.13Å; D587-L591 PolarHBondContact O-N 3.43Å
588	V	95.1	Very high	94.4	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.018	17%	0.173	C	C	.	.	H	α-helix	trans	-60.2	-44.5	177.3	174.6	0	0	0	0	111	I580 W582 K584 L585 Q590 L591 Q592	I580-V588 HydrophobicContact CD1-CG2 4.33Å; W582-V588 HydrophobicContact CE3-CG2 3.89Å; W582-V588 HydrophobicContact CZ3-CG1 4.39Å; W582-V588 HydrophobicContact CZ3-CG2 4.42Å; K584-V588 WeakPolarHBondContact O-CG2 3.24Å; K584-V588 PolarHBondContact O-N 3.27Å; L585-V588 PolarHBondContact O-N 3.03Å; V588-Q590 PolarHBondContact O-N 3.42Å; V588-L591 PolarHBondContact O-N 2.9Å; V588-Q592 HydrophobicContact CG1-CG 4.35Å; V588-Q592 VanDerWaalsContact O-CG 3.29Å; V588-Q592 WeakPolarHBondContact O-CG 3.47Å; V588-Q592 PolarHBondContact O-N 3.3Å
589	A	94.9	Very high	94.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.4	-46.2	178.2	0	0	0	0	0	112.1	W327 I511 K514 A515 I518 L585 E586 D587 L591 Q592 A593	W327-A589 HydrophobicContact CH2-CB 4.45Å; I511-A589 HydrophobicContact CG2-CB 4.14Å; K514-A589 HydrophobicContact CB-CB 4.26Å; K514-A589 HydrophobicContact CG-CB 4.19Å; A515-A589 HydrophobicContact CB-CB 4.24Å; A515-A589 WeakPolarHBondContact CB-O 3.24Å; I518-A589 HydrophobicContact CD1-CB 4.46Å; L585-A589 WeakPolarHBondContact O-CB 3.46Å; L585-A589 PolarHBondContact O-N 3.12Å; E586-A589 PolarHBondContact O-N 3.15Å; D587-A589 PolarHBondContact O-N 3.44Å; A589-L591 VanDerWaalsContact C-N 3.33Å; A589-L591 PolarHBondContact O-N 3.42Å; A589-Q592 PolarHBondContact O-N 3.17Å; A589-A593 PolarHBondContact O-N 2.81Å; A589-A593 VanDerWaalsContact O-N 3.15Å
590	Q	94.8	Very high	94.7	Very high	29 Å²	29	39.6 Å²	39.6	14%	0.136	20%	0.195	C	C	.	.	H	α-helix	trans	-62.1	-39.5	176.3	-72	178.9	56.4	0	0	112.5	I518 W559 E586 D587 V588 A593 L594	I518-Q590 HydrophobicContact CG2-CG 4.45Å; W559-Q590 HydrophobicContact CH2-CB 4.44Å; W559-Q590 HydrophobicContact CZ2-CB 4.4Å; E586-Q590 WeakPolarHBondContact O-CG 3.4Å; E586-Q590 PolarHBondContact O-N 3.12Å; E586-Q590 VanDerWaalsContact O-N 3.15Å; D587-Q590 PolarHBondContact O-N 3.13Å; V588-Q590 PolarHBondContact O-N 3.42Å; Q590-A593 PolarHBondContact O-N 2.8Å; Q590-L594 WeakPolarHBondContact O-CG 3.41Å; Q590-L594 PolarHBondContact O-N 3.49Å
591	L	95.5	Very high	94.9	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-63	-44.6	176.2	174.3	69.3	0	0	0	111.9	W559 L577 I580 W582 D587 V588 A589 A593 L594 L595	W559-L591 HydrophobicContact CH2-CB 4.04Å; W559-L591 HydrophobicContact CZ3-CB 4.29Å; W559-L591 HydrophobicContact CZ3-CD1 4.38Å; L577-L591 HydrophobicContact CD2-CD1 3.72Å; L577-L591 HydrophobicContact CD2-CD2 3.58Å; L577-L591 HydrophobicContact CD2-CG 4.11Å; I580-L591 HydrophobicContact CD1-CB 3.51Å; I580-L591 HydrophobicContact CD1-CD2 3.41Å; I580-L591 VanDerWaalsContact CD1-CD2 3.41Å; I580-L591 HydrophobicContact CD1-CG 4Å; I580-L591 HydrophobicContact CG2-CD2 4.21Å; W582-L591 HydrophobicContact CH2-CD2 3.71Å; W582-L591 HydrophobicContact CZ2-CD2 3.87Å; W582-L591 HydrophobicContact CZ3-CD2 4.42Å; D587-L591 PolarHBondContact O-N 3.43Å; V588-L591 PolarHBondContact O-N 2.9Å; A589-L591 VanDerWaalsContact C-N 3.33Å; A589-L591 PolarHBondContact O-N 3.42Å; L591-A593 VanDerWaalsContact C-N 3.28Å; L591-A593 PolarHBondContact O-N 2.83Å; L591-L594 CarbonylContact O-C 3.45Å; L591-L594 WeakPolarHBondContact O-CA 3.46Å; L591-L594 WeakPolarHBondContact O-CB 3.47Å; L591-L594 PolarHBondContact O-N 3.3Å; L591-L594 VanDerWaalsContact O-N 3.09Å; L591-L595 WeakPolarHBondContact O-CB 3.4Å; L591-L595 PolarHBondContact O-N 3.47Å
592	Q	95	Very high	95.1	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-63.1	-38.2	-179.9	-65.1	-59.7	-19.5	0	0	111.4	F508 I511 V588 A589 L595 Q596 D616 Y618	F508-Q592 HydrophobicContact CE2-CB 4.46Å; I511-Q592 HydrophobicContact CG2-CB 3.86Å; I511-Q592 HydrophobicContact CG2-CG 4.06Å; V588-Q592 HydrophobicContact CG1-CG 4.35Å; V588-Q592 VanDerWaalsContact O-CG 3.29Å; V588-Q592 WeakPolarHBondContact O-CG 3.47Å; V588-Q592 PolarHBondContact O-N 3.3Å; A589-Q592 PolarHBondContact O-N 3.17Å; Q592-L595 PolarHBondContact O-N 3.37Å; Q592-Q596 PolarHBondContact O-N 3.05Å; Q592-D616 PolarHBondContact NE2-OD1 3.26Å; Q592-Y618 HydrophobicContact CG-CD2 4.45Å
593	A	94.5	Very high	95.1	Very high	25 Å²	25	39.1 Å²	39.1	21%	0.207	20%	0.202	C	C	.	.	H	α-helix	trans	-64.9	-40.1	171.5	0	0	0	0	0	112.7	I512 A515 A589 Q590 L591 Q596 I597	I512-A593 HydrophobicContact CD1-CB 4.06Å; A515-A593 HydrophobicContact CB-CB 3.69Å; A589-A593 PolarHBondContact O-N 2.81Å; A589-A593 VanDerWaalsContact O-N 3.15Å; Q590-A593 PolarHBondContact O-N 2.8Å; L591-A593 VanDerWaalsContact C-N 3.28Å; L591-A593 PolarHBondContact O-N 2.83Å; A593-Q596 PolarHBondContact O-N 2.78Å; A593-I597 WeakPolarHBondContact O-CG1 3.33Å
594	L	95.1	Very high	95.1	Very high	6 Å²	6	39.2 Å²	39.2	3%	0.031	20%	0.199	C	C	.	.	H	α-helix	trans	-63.3	-42.6	174.6	-81.9	170.3	0	0	0	112.5	R562 Q590 L591 Q596 I597 W598	R562-L594 HydrophobicContact CB-CD1 4.12Å; R562-L594 HydrophobicContact CG-CD1 3.79Å; Q590-L594 WeakPolarHBondContact O-CG 3.41Å; Q590-L594 PolarHBondContact O-N 3.49Å; L591-L594 CarbonylContact O-C 3.45Å; L591-L594 WeakPolarHBondContact O-CA 3.46Å; L591-L594 WeakPolarHBondContact O-CB 3.47Å; L591-L594 PolarHBondContact O-N 3.3Å; L591-L594 VanDerWaalsContact O-N 3.09Å; L594-Q596 VanDerWaalsContact C-N 3.31Å; L594-Q596 PolarHBondContact O-N 2.98Å; L594-I597 CarbonylContact O-C 3.58Å; L594-I597 VanDerWaalsContact O-CG1 3.31Å; L594-I597 WeakPolarHBondContact O-CG1 3.28Å; L594-I597 PolarHBondContact O-N 3.49Å; L594-W598 PolarHBondContact O-N 3.33Å
595	L	95.9	Very high	95.1	Very high	9 Å²	9	38.7 Å²	38.7	5%	0.047	20%	0.198	C	C	.	.	H	α-helix	trans	-63.4	-38	-180	-173.9	66.3	0	0	0	111.6	L573 L591 Q592 I597 W598 V619 Y622	L573-L595 HydrophobicContact CD1-CD1 4.27Å; L573-L595 HydrophobicContact CD2-CD1 3.86Å; L591-L595 WeakPolarHBondContact O-CB 3.4Å; L591-L595 PolarHBondContact O-N 3.47Å; Q592-L595 PolarHBondContact O-N 3.37Å; L595-I597 PolarHBondContact O-N 2.87Å; L595-W598 WeakPolarHBondContact O-CB 3.4Å; L595-W598 PolarHBondContact O-N 3.34Å; L595-V619 HydrophobicContact CD2-CG2 4.09Å; L595-Y622 HydrophobicContact CD1-CD1 4.02Å; L595-Y622 HydrophobicContact CD1-CD2 3.92Å; L595-Y622 HydrophobicContact CD1-CE2 4.42Å; L595-Y622 HydrophobicContact CD1-CG 3.71Å; L595-Y622 HydrophobicContact CG-CD2 4.25Å; L595-Y622 HydrophobicContact CG-CG 4.24Å
596	Q	94.5	Very high	95.3	Very high	118 Å²	118	37.8 Å²	37.8	55%	0.551	19%	0.193	S	C	*	.	H	α-helix	trans	-60.8	-34.4	177.3	-173.5	178.5	2	0	0	112.7	F508 Q592 A593 L594	F508-Q596 HydrophobicContact CZ-CB 4.44Å; Q592-Q596 PolarHBondContact O-N 3.05Å; A593-Q596 PolarHBondContact O-N 2.78Å; L594-Q596 VanDerWaalsContact C-N 3.31Å; L594-Q596 PolarHBondContact O-N 2.98Å
597	I	94.5	Very high	95.6	Very high	99 Å²	99	34 Å²	34	51%	0.508	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	9.5	179.5	65.6	-171.7	0	0	0	112.6	A593 L594 L595	A593-I597 WeakPolarHBondContact O-CG1 3.33Å; L594-I597 CarbonylContact O-C 3.58Å; L594-I597 VanDerWaalsContact O-CG1 3.31Å; L594-I597 WeakPolarHBondContact O-CG1 3.28Å; L594-I597 PolarHBondContact O-N 3.49Å; L595-I597 PolarHBondContact O-N 2.87Å
598	W	97.4	Very high	95.7	Very high	11 Å²	11	33.4 Å²	33.4	4%	0.042	17%	0.171	C	C	.	.	S	Bend	trans	-77.4	134.7	179.8	-157.6	-80.8	0	0	0	111.1	C565 R566 P570 L573 L576 L594 L595 K600 Y622	C565-W598 HydrophobicContact CB-CH2 4.17Å; R566-W598 HydrophobicContact CB-CD2 4.41Å; R566-W598 HydrophobicContact CB-CE3 3.88Å; R566-W598 HydrophobicContact CB-CH2 3.95Å; R566-W598 HydrophobicContact CB-CZ2 4.45Å; R566-W598 HydrophobicContact CB-CZ3 3.62Å; R566-W598 HydrophobicContact CG-CD2 4.03Å; R566-W598 HydrophobicContact CG-CE3 3.79Å; R566-W598 HydrophobicContact CG-CZ3 4.09Å; P570-W598 WeakPolarHBondContact O-CZ2 3.32Å; P570-W598 PolarHBondContact O-NE1 3.01Å; L573-W598 HydrophobicContact CB-CD2 4.46Å; L573-W598 HydrophobicContact CB-CZ2 3.73Å; L573-W598 HydrophobicContact CD1-CD2 3.89Å; L573-W598 HydrophobicContact CD1-CE3 4.05Å; L573-W598 HydrophobicContact CD1-CG 4.41Å; L573-W598 HydrophobicContact CD1-CH2 4.31Å; L573-W598 HydrophobicContact CD1-CZ2 4.16Å; L573-W598 HydrophobicContact CD1-CZ3 4.26Å; L573-W598 HydrophobicContact CD2-CD2 4.43Å; L573-W598 HydrophobicContact CD2-CG 4.19Å; L573-W598 HydrophobicContact CG-CD2 4.49Å; L573-W598 HydrophobicContact CG-CZ2 4.49Å; L576-W598 HydrophobicContact CD2-CE3 4.35Å; L576-W598 HydrophobicContact CD2-CH2 3.51Å; L576-W598 HydrophobicContact CD2-CZ3 3.31Å; L594-W598 PolarHBondContact O-N 3.33Å; L595-W598 WeakPolarHBondContact O-CB 3.4Å; L595-W598 PolarHBondContact O-N 3.34Å; W598-K600 PolarHBondContact O-N 3.09Å; W598-Y622 HydrophobicContact CB-CE2 4.29Å
599	P	96.9	Very high	95.8	Very high	60 Å²	60	33.2 Å²	33.2	39%	0.39	17%	0.171	S	C	.	.	P	Polyproline II helix	trans	-65.2	131.5	177.3	-19.9	31.4	0	0	0	112.4	P570 L601 Y622	P570-P599 HydrophobicContact CB-CB 4.39Å; P570-P599 HydrophobicContact CB-CG 4.37Å; P570-P599 HydrophobicContact CG-CG 4.29Å; P599-L601 PolarHBondContact O-N 2.79Å; P599-Y622 PolarHBondContact O-OH 2.92Å
600	K	96.6	Very high	95.9	Very high	100 Å²	100	33.2 Å²	33.2	44%	0.435	17%	0.171	S	C	.	.	P	Polyproline II helix	trans	-52	129.3	179	-71.1	-67.4	179.6	-166.4	0	111.9	W598 Y622 C626	W598-K600 PolarHBondContact O-N 3.09Å; K600-Y622 VanDerWaalsContact CA-OH 3.24Å; K600-Y622 WeakPolarHBondContact CA-OH 3.16Å; K600-Y622 HydrophobicContact CD-CD2 4.48Å; K600-Y622 HydrophobicContact CD-CE2 3.91Å; K600-Y622 PolarHBondContact N-OH 3.03Å; K600-Y622 VanDerWaalsContact NZ-CD2 3.3Å; K600-Y622 PolarHBondContact NZ-O 3.46Å; K600-C626 VanDerWaalsContact CD-SG 3.51Å
601	L	96.6	Very high	95.8	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.021	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-82.2	155.3	179.1	-57.3	-176.8	0	0	0	111	P570 L573 P599 E605 L609 Y622 C626	P570-L601 HydrophobicContact CB-CD2 4.22Å; P570-L601 VanDerWaalsContact O-CD2 3.29Å; P570-L601 WeakPolarHBondContact O-CD2 3.33Å; L573-L601 HydrophobicContact CB-CD1 4.24Å; L573-L601 HydrophobicContact CD2-CD1 4.21Å; P599-L601 PolarHBondContact O-N 2.79Å; L601-E605 HydrophobicContact CB-CB 4.48Å; L601-L609 HydrophobicContact CD1-CD1 4.06Å; L601-Y622 HydrophobicContact CD1-CE1 4.47Å; L601-Y622 HydrophobicContact CG-CE1 4.25Å; L601-Y622 PolarHBondContact N-OH 3.28Å; L601-C626 WeakPolarHBondContact O-CB 3.5Å
602	P	96.3	Very high	95.4	Very high	67 Å²	67	33.1 Å²	33.1	44%	0.435	17%	0.17	S	C	.	.	P	Polyproline II helix	trans	-54.2	142.6	165.7	-24.1	34.4	0	0	0	111.3	R604 E605 A606	P602-R604 VanDerWaalsContact C-N 3.27Å; P602-R604 PolarHBondContact O-N 3.23Å; P602-E605 HydrophobicContact CB-CG 4.42Å; P602-E605 PolarHBondContact O-N 2.84Å; P602-A606 PolarHBondContact O-N 3.43Å
603	P	95.5	Very high	95.3	Very high	19 Å²	19	34.8 Å²	34.8	12%	0.123	18%	0.179	C	C	.	.	H	α-helix	trans	-57.2	-36.8	-176.7	-25.5	32.9	0	0	0	114.2	E605 A606 L607 L627 M630	P603-E605 VanDerWaalsContact C-N 3.29Å; P603-E605 PolarHBondContact O-N 2.94Å; P603-A606 PolarHBondContact O-N 3.34Å; P603-L607 PolarHBondContact O-N 2.92Å; P603-L627 HydrophobicContact CB-CD2 4.06Å; P603-L627 WeakPolarHBondContact O-CD2 3.4Å; P603-M630 HydrophobicContact CB-CB 4.02Å; P603-M630 HydrophobicContact CB-CE 3.39Å; P603-M630 HydrophobicContact CB-CG 4.38Å; P603-M630 HydrophobicContact CG-CB 4.08Å
604	R	94.9	Very high	95.3	Very high	56 Å²	56	33.9 Å²	33.9	21%	0.211	17%	0.17	C	C	.	.	H	α-helix	trans	-62.1	-32.9	177	-63.9	-175.5	-173	-179.4	3.2	113.1	P602 E634 Y638 E829 L999	P602-R604 VanDerWaalsContact C-N 3.27Å; P602-R604 PolarHBondContact O-N 3.23Å; R604-E634 WeakPolarHBondContact CG-OE1 3.45Å; R604-E634 IonicContact CZ-OE1 3.96Å; R604-E634 IonicContact NE-OE1 2.71Å; R604-E634 PolarHBondContact NE-OE1 3.13Å; R604-E634 IonicContact NH2-OE1 2.78Å; R604-Y638 HydrophobicContact CG-CE2 4.33Å; R604-Y638 PolarHBondContact NE-OH 2.91Å; R604-E829 IonicContact CZ-OE1 3.13Å; R604-E829 IonicContact CZ-OE2 3.56Å; R604-E829 IonicContact NH1-OE1 3.79Å; R604-E829 IonicContact NH1-OE2 3.57Å; R604-E829 PolarHBondContact NH1-OE2 2.94Å; R604-E829 IonicContact NH2-OE1 2.69Å; R604-E829 PolarHBondContact NH2-OE1 3.39Å; R604-E829 IonicContact NH2-OE2 3.92Å; R604-L999 HydrophobicContact CB-CD1 4.24Å
605	E	94.2	Very high	95.4	Very high	80 Å²	80	34 Å²	34	37%	0.374	17%	0.171	S	C	.	.	H	α-helix	trans	-80.2	-39.3	175.9	-65.6	-179.1	-164.9	0	0	111.4	Q571 L601 P602 P603 L607 E608	Q571-E605 WeakPolarHBondContact CB-OE2 3.04Å; L601-E605 HydrophobicContact CB-CB 4.48Å; P602-E605 HydrophobicContact CB-CG 4.42Å; P602-E605 PolarHBondContact O-N 2.84Å; P603-E605 VanDerWaalsContact C-N 3.29Å; P603-E605 PolarHBondContact O-N 2.94Å; E605-L607 PolarHBondContact O-N 3.23Å; E605-L607 VanDerWaalsContact O-N 3.13Å; E605-E608 WeakPolarHBondContact O-CB 3.34Å; E605-E608 PolarHBondContact O-N 3.48Å; E605-E608 VanDerWaalsContact O-N 3.1Å
606	A	97.3	Very high	95.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.9	-19	179.1	0	0	0	0	0	113.7	P602 P603 E608 L609 C626 L627	P602-A606 PolarHBondContact O-N 3.43Å; P603-A606 PolarHBondContact O-N 3.34Å; A606-E608 PolarHBondContact O-N 3.06Å; A606-L609 WeakPolarHBondContact O-CB 3.3Å; A606-L609 PolarHBondContact O-N 2.88Å; A606-C626 HydrophobicContact CB-CB 3.55Å; A606-L627 HydrophobicContact CB-CD2 4.46Å
607	L	97.4	Very high	95.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-31.8	172.7	-72.7	171	0	0	0	112.8	P603 E605 L609 L610 L627 Y638 L642 L999 T1002 L1003 L1006	P603-L607 PolarHBondContact O-N 2.92Å; E605-L607 PolarHBondContact O-N 3.23Å; E605-L607 VanDerWaalsContact O-N 3.13Å; L607-L609 VanDerWaalsContact C-N 3.27Å; L607-L609 PolarHBondContact O-N 2.82Å; L607-L610 PolarHBondContact O-N 3.09Å; L607-L627 HydrophobicContact CD2-CD1 4.5Å; L607-L627 HydrophobicContact CD2-CD2 4.07Å; L607-L627 HydrophobicContact CG-CD2 4.32Å; L607-Y638 HydrophobicContact CD1-CD1 4.18Å; L607-Y638 HydrophobicContact CD1-CD2 4.01Å; L607-Y638 HydrophobicContact CD1-CE1 4.49Å; L607-Y638 HydrophobicContact CD1-CE2 4.29Å; L607-Y638 HydrophobicContact CD1-CG 3.93Å; L607-L642 HydrophobicContact CD2-CD2 3.81Å; L607-L642 HydrophobicContact CD2-CG 4.46Å; L607-L999 HydrophobicContact CD1-CD1 4.14Å; L607-T1002 HydrophobicContact CB-CG2 3.9Å; L607-L1003 HydrophobicContact CD1-CD2 4.11Å; L607-L1006 HydrophobicContact CB-CD1 4.32Å; L607-L1006 HydrophobicContact CD2-CD1 4.44Å
608	E	96.4	Very high	95.6	Very high	13 Å²	13	27.8 Å²	27.8	6%	0.061	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-61.2	-39.9	177.7	-174.7	177.5	159	0	0	110.5	P574 K575 E605 A606 L610 D611 Y614 T1002	P574-E608 HydrophobicContact CB-CG 4.16Å; P574-E608 WeakPolarHBondContact CB-OE1 3.43Å; P574-E608 HydrophobicContact CG-CG 4.37Å; K575-E608 IonicContact NZ-OE1 3.54Å; K575-E608 PolarHBondContact NZ-OE1 3.4Å; K575-E608 IonicContact NZ-OE2 2.91Å; K575-E608 PolarHBondContact NZ-OE2 3.17Å; E605-E608 WeakPolarHBondContact O-CB 3.34Å; E605-E608 PolarHBondContact O-N 3.48Å; E605-E608 VanDerWaalsContact O-N 3.1Å; A606-E608 PolarHBondContact O-N 3.06Å; E608-L610 PolarHBondContact O-N 3.47Å; E608-D611 WeakPolarHBondContact O-CB 3.31Å; E608-D611 VanDerWaalsContact O-CG 3.25Å; E608-D611 PolarHBondContact O-N 3.2Å; E608-Y614 HydrophobicContact CG-CE2 3.9Å; E608-Y614 WeakPolarHBondContact O-CD2 3.5Å; E608-Y614 WeakPolarHBondContact O-CE2 3.49Å; E608-Y614 PolarHBondContact OE1-OH 2.92Å; E608-T1002 HydrophobicContact CB-CG2 4.13Å
609	L	97.5	Very high	95.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-67.7	-1.3	-178.9	-57.1	-179.7	0	0	0	114.6	L573 P574 L577 L601 A606 L607 Y614 V619 Y622 A623	L573-L609 HydrophobicContact CD2-CD1 3.94Å; P574-L609 HydrophobicContact CB-CD2 3.98Å; P574-L609 HydrophobicContact CG-CD2 3.79Å; L577-L609 HydrophobicContact CD1-CD2 3.58Å; L601-L609 HydrophobicContact CD1-CD1 4.06Å; A606-L609 WeakPolarHBondContact O-CB 3.3Å; A606-L609 PolarHBondContact O-N 2.88Å; L607-L609 VanDerWaalsContact C-N 3.27Å; L607-L609 PolarHBondContact O-N 2.82Å; L609-Y614 HydrophobicContact CD2-CD1 4.27Å; L609-Y614 HydrophobicContact CD2-CD2 4.46Å; L609-Y614 HydrophobicContact CD2-CE1 4.35Å; L609-Y614 HydrophobicContact CD2-CG 4.33Å; L609-Y614 WeakPolarHBondContact O-CB 3.41Å; L609-V619 HydrophobicContact CB-CG1 4.24Å; L609-V619 HydrophobicContact CD2-CG1 4.37Å; L609-Y622 HydrophobicContact CD1-CD1 4.09Å; L609-Y622 HydrophobicContact CD1-CE1 4.24Å; L609-A623 HydrophobicContact CB-CB 3.69Å; L609-A623 HydrophobicContact CD1-CB 4.3Å
610	L	97.2	Very high	95.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-104.2	-2	175.4	-71.4	-176.6	0	0	0	112.9	L607 E608 R620 A623 V624 L627 L642 V645 L656 L1006	L607-L610 PolarHBondContact O-N 3.09Å; E608-L610 PolarHBondContact O-N 3.47Å; L610-R620 HydrophobicContact CD2-CB 4.36Å; L610-R620 HydrophobicContact CD2-CG 4.23Å; L610-R620 PolarHBondContact O-NH2 3.37Å; L610-A623 HydrophobicContact CD2-CB 4.03Å; L610-A623 HydrophobicContact CG-CB 4.16Å; L610-V624 HydrophobicContact CD2-CG2 4.4Å; L610-L627 HydrophobicContact CD1-CD1 3.6Å; L610-L642 HydrophobicContact CD1-CD2 3.59Å; L610-V645 HydrophobicContact CB-CG1 3.97Å; L610-V645 HydrophobicContact CB-CG2 4.25Å; L610-V645 WeakPolarHBondContact O-CG1 3.36Å; L610-L656 HydrophobicContact CD1-CD1 4.38Å; L610-L1006 HydrophobicContact CB-CD2 4.43Å
611	D	91.8	Very high	95.7	Very high	7 Å²	7	25.5 Å²	25.5	4%	0.037	13%	0.125	C	C	.	.	S	Bend	trans	-71.5	179.2	174	85.8	12.9	0	0	0	112	E608 N613 Y614 R620 L1006	E608-D611 WeakPolarHBondContact O-CB 3.31Å; E608-D611 VanDerWaalsContact O-CG 3.25Å; E608-D611 PolarHBondContact O-N 3.2Å; D611-N613 VanDerWaalsContact C-N 3.29Å; D611-N613 PolarHBondContact O-N 2.93Å; D611-N613 WeakPolarHBondContact OD1-CA 3.4Å; D611-N613 WeakPolarHBondContact OD1-CB 3.39Å; D611-N613 PolarHBondContact OD1-N 2.9Å; D611-N613 PolarHBondContact OD1-ND2 3.4Å; D611-N613 PolarHBondContact OD2-ND2 2.94Å; D611-Y614 PolarHBondContact O-N 3.39Å; D611-Y614 WeakPolarHBondContact OD1-CD2 3.38Å; D611-Y614 WeakPolarHBondContact OD1-CE2 3.47Å; D611-R620 PolarHBondContact O-NH2 2.68Å; D611-L1006 HydrophobicContact CB-CD2 3.62Å
612	F	88.6	Confident	95.8	Very high	20 Å²	20	26 Å²	26	9%	0.088	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-17	-177	53.7	-95.1	0	0	0	115.5	G360 T361 M476 Y614 Y648 L1008 V1018	G360-F612 WeakPolarHBondContact CA-O 3.29Å; T361-F612 HydrophobicContact CG2-CD2 3.5Å; T361-F612 VanDerWaalsContact CG2-CD2 3.5Å; T361-F612 HydrophobicContact CG2-CE2 3.75Å; M476-F612 HydrophobicContact CE-CB 3.29Å; M476-F612 HydrophobicContact CE-CD1 3.25Å; M476-F612 HydrophobicContact CE-CD2 3.49Å; M476-F612 VanDerWaalsContact CE-CD2 3.49Å; M476-F612 HydrophobicContact CE-CE1 3.88Å; M476-F612 HydrophobicContact CE-CE2 4.06Å; M476-F612 HydrophobicContact CE-CG 3.02Å; M476-F612 HydrophobicContact CE-CZ 4.23Å; M476-F612 HydrophobicContact SD-CB 3.45Å; M476-F612 WeakPolarHBondContact SD-CB 3.36Å; M476-F612 HydrophobicContact SD-CD1 4.3Å; M476-F612 HydrophobicContact SD-CD2 3.44Å; M476-F612 WeakPolarHBondContact SD-CD2 3.44Å; M476-F612 HydrophobicContact SD-CE2 4.21Å; M476-F612 HydrophobicContact SD-CG 3.47Å; M476-F612 WeakPolarHBondContact SD-CG 3.2Å; F612-Y614 VanDerWaalsContact C-N 3.26Å; F612-Y648 HydrophobicContact CB-CD1 4.05Å; F612-Y648 HydrophobicContact CB-CE1 3.69Å; F612-Y648 HydrophobicContact CB-CE2 4.45Å; F612-Y648 HydrophobicContact CD1-CE1 4.38Å; F612-Y648 HydrophobicContact CD1-CE2 4.44Å; F612-Y648 AromaticContact CD1-CZ 3.86Å; F612-Y648 WeakPolarHBondContact CD1-OH 3.41Å; F612-Y648 HydrophobicContact CG-CE1 4.47Å; F612-L1008 HydrophobicContact CE1-CD1 3.76Å; F612-L1008 HydrophobicContact CZ-CD1 4.35Å; F612-V1018 HydrophobicContact CZ-CG2 3.94Å
613	N	91.6	Very high	95.9	Very high	36 Å²	36	22.9 Å²	22.9	19%	0.193	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-20.7	176.6	-57.9	-56.9	0	0	0	111.7	T361 L578 D611 P615	T361-N613 PolarHBondContact OG1-OD1 2.93Å; L578-N613 HydrophobicContact CD2-CB 3.9Å; D611-N613 VanDerWaalsContact C-N 3.29Å; D611-N613 PolarHBondContact O-N 2.93Å; D611-N613 WeakPolarHBondContact OD1-CA 3.4Å; D611-N613 WeakPolarHBondContact OD1-CB 3.39Å; D611-N613 PolarHBondContact OD1-N 2.9Å; D611-N613 PolarHBondContact OD1-ND2 3.4Å; D611-N613 PolarHBondContact OD2-ND2 2.94Å; N613-P615 WeakPolarHBondContact O-CD 3.2Å
614	Y	95.6	Very high	96.1	Very high	7 Å²	7	22.1 Å²	22.1	3%	0.027	10%	0.101	C	C	.	.			trans	-116.4	71.2	-176.9	-46.1	-74.5	0	0	0	111.5	P574 L577 L578 E608 L609 D611 F612 D616 R620	P574-Y614 HydrophobicContact CB-CE1 4.19Å; P574-Y614 WeakPolarHBondContact CB-OH 3.24Å; P574-Y614 WeakPolarHBondContact O-CE1 3.43Å; P574-Y614 PolarHBondContact O-OH 2.86Å; L577-Y614 HydrophobicContact CB-CD1 3.86Å; L577-Y614 HydrophobicContact CB-CE1 3.84Å; L577-Y614 HydrophobicContact CD1-CD1 3.96Å; L577-Y614 HydrophobicContact CD1-CE1 4.31Å; L578-Y614 HydrophobicContact CD2-CE1 4.18Å; L578-Y614 HydrophobicContact CG-CE1 4.05Å; E608-Y614 HydrophobicContact CG-CE2 3.9Å; E608-Y614 WeakPolarHBondContact O-CD2 3.5Å; E608-Y614 WeakPolarHBondContact O-CE2 3.49Å; E608-Y614 PolarHBondContact OE1-OH 2.92Å; L609-Y614 HydrophobicContact CD2-CD1 4.27Å; L609-Y614 HydrophobicContact CD2-CD2 4.46Å; L609-Y614 HydrophobicContact CD2-CE1 4.35Å; L609-Y614 HydrophobicContact CD2-CG 4.33Å; L609-Y614 WeakPolarHBondContact O-CB 3.41Å; D611-Y614 PolarHBondContact O-N 3.39Å; D611-Y614 WeakPolarHBondContact OD1-CD2 3.38Å; D611-Y614 WeakPolarHBondContact OD1-CE2 3.47Å; F612-Y614 VanDerWaalsContact C-N 3.26Å; Y614-D616 VanDerWaalsContact C-N 3.34Å; Y614-R620 WeakPolarHBondContact O-CG 3.2Å; Y614-R620 PolarHBondContact O-NE 3.21Å
615	P	96.1	Very high	96.2	Very high	8 Å²	8	20.4 Å²	20.4	5%	0.052	10%	0.101	C	C	.	.			trans	-81.4	-11.3	-177.8	37.8	-41.9	0	0	0	113.3	H359 M397 N613	H359-P615 VanDerWaalsContact NE2-CG 3.31Å; H359-P615 WeakPolarHBondContact NE2-CG 3.25Å; M397-P615 HydrophobicContact CB-CB 4.45Å; M397-P615 WeakPolarHBondContact CE-O 3.2Å; M397-P615 WeakPolarHBondContact CG-O 3.16Å; N613-P615 WeakPolarHBondContact O-CD 3.2Å
616	D	97.5	Very high	96.4	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	8%	0.083	C	C	.	.			trans	-60	136.8	-176.3	-178.6	-104.8	0	0	0	112.7	W582 Q592 Y614 Y618 V619 R620	W582-D616 HydrophobicContact CH2-CB 3.46Å; W582-D616 VanDerWaalsContact CH2-CB 3.46Å; W582-D616 HydrophobicContact CZ2-CB 4.3Å; W582-D616 HydrophobicContact CZ3-CB 3.84Å; Q592-D616 PolarHBondContact NE2-OD1 3.26Å; Y614-D616 VanDerWaalsContact C-N 3.34Å; D616-Y618 VanDerWaalsContact C-N 3.33Å; D616-Y618 PolarHBondContact O-N 3.08Å; D616-Y618 WeakPolarHBondContact OD1-CB 2.96Å; D616-Y618 PolarHBondContact OD1-N 3.42Å; D616-V619 HydrophobicContact CB-CB 4.09Å; D616-V619 HydrophobicContact CB-CG2 3.84Å; D616-V619 PolarHBondContact O-N 2.92Å; D616-V619 PolarHBondContact OD1-N 3.08Å; D616-V619 VanDerWaalsContact OD1-N 3.12Å; D616-R620 WeakPolarHBondContact O-CG 3.4Å; D616-R620 PolarHBondContact O-N 2.95Å
617	Q	95.9	Very high	96.4	Very high	67 Å²	67	16.6 Å²	16.6	31%	0.313	8%	0.083	S	C	.	.	H	α-helix	trans	-65.9	-36.6	-173	85	177.3	20.5	0	0	112.2	M397 E621	M397-Q617 HydrophobicContact SD-CB 4.38Å; Q617-E621 WeakPolarHBondContact O-CB 3.45Å; Q617-E621 PolarHBondContact O-N 3.48Å
618	Y	96.8	Very high	96.4	Very high	28 Å²	28	22.3 Å²	22.3	11%	0.11	11%	0.105	C	C	.	.	H	α-helix	trans	-81.6	-33.7	-175	-60.6	-67.7	0	0	0	110.9	F508 I511 Q592 D616 R620 E621 Y622	F508-Y618 HydrophobicContact CB-CE1 4.21Å; F508-Y618 AromaticContact CD2-CD1 3.93Å; F508-Y618 HydrophobicContact CD2-CD1 3.93Å; F508-Y618 HydrophobicContact CD2-CD2 4.49Å; F508-Y618 AromaticContact CD2-CE1 3.46Å; F508-Y618 HydrophobicContact CD2-CE1 3.46Å; F508-Y618 VanDerWaalsContact CD2-CE1 3.46Å; F508-Y618 HydrophobicContact CD2-CE2 4.08Å; F508-Y618 HydrophobicContact CD2-CG 4.41Å; F508-Y618 AromaticContact CD2-CZ 3.52Å; F508-Y618 HydrophobicContact CE2-CD1 4.14Å; F508-Y618 HydrophobicContact CE2-CE1 4.14Å; F508-Y618 HydrophobicContact CE2-CG 4.42Å; F508-Y618 HydrophobicContact CG-CE1 4.11Å; I511-Y618 HydrophobicContact CD1-CE2 4.09Å; Q592-Y618 HydrophobicContact CG-CD2 4.45Å; D616-Y618 VanDerWaalsContact C-N 3.33Å; D616-Y618 PolarHBondContact O-N 3.08Å; D616-Y618 WeakPolarHBondContact OD1-CB 2.96Å; D616-Y618 PolarHBondContact OD1-N 3.42Å; Y618-R620 VanDerWaalsContact C-N 3.35Å; Y618-E621 PolarHBondContact O-N 3.32Å; Y618-Y622 VanDerWaalsContact O-CB 3.3Å; Y618-Y622 WeakPolarHBondContact O-CB 3.37Å; Y618-Y622 PolarHBondContact O-N 2.91Å
619	V	97.8	Very high	96.3	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.006	13%	0.13	C	C	.	.	H	α-helix	trans	-58.4	-48.1	168.2	175.7	0	0	0	0	110.5	L577 W582 L595 L609 D616 Y622 A623	L577-V619 HydrophobicContact CD1-CG1 3.62Å; L577-V619 HydrophobicContact CD1-CG2 4.03Å; L577-V619 HydrophobicContact CD2-CG2 3.64Å; L577-V619 HydrophobicContact CG-CG2 4.49Å; W582-V619 HydrophobicContact CH2-CG2 4.5Å; L595-V619 HydrophobicContact CD2-CG2 4.09Å; L609-V619 HydrophobicContact CB-CG1 4.24Å; L609-V619 HydrophobicContact CD2-CG1 4.37Å; D616-V619 HydrophobicContact CB-CB 4.09Å; D616-V619 HydrophobicContact CB-CG2 3.84Å; D616-V619 PolarHBondContact O-N 2.92Å; D616-V619 PolarHBondContact OD1-N 3.08Å; D616-V619 VanDerWaalsContact OD1-N 3.12Å; V619-Y622 WeakPolarHBondContact O-CB 3.32Å; V619-Y622 PolarHBondContact O-N 3.23Å; V619-A623 WeakPolarHBondContact O-CB 3.1Å; V619-A623 PolarHBondContact O-N 3.01Å
620	R	97.9	Very high	96.1	Very high	8 Å²	8	28.1 Å²	28.1	3%	0.03	13%	0.132	C	C	.	.	H	α-helix	trans	-67.1	-38.2	178.4	-71.7	-175.4	166.2	-111.4	-7.6	112.7	L610 D611 Y614 D616 Y618 Y622 A623 V624 E649	L610-R620 HydrophobicContact CD2-CB 4.36Å; L610-R620 HydrophobicContact CD2-CG 4.23Å; L610-R620 PolarHBondContact O-NH2 3.37Å; D611-R620 PolarHBondContact O-NH2 2.68Å; Y614-R620 WeakPolarHBondContact O-CG 3.2Å; Y614-R620 PolarHBondContact O-NE 3.21Å; D616-R620 WeakPolarHBondContact O-CG 3.4Å; D616-R620 PolarHBondContact O-N 2.95Å; Y618-R620 VanDerWaalsContact C-N 3.35Å; R620-Y622 VanDerWaalsContact C-N 3.35Å; R620-A623 PolarHBondContact O-N 3.29Å; R620-V624 WeakPolarHBondContact O-CG2 3.43Å; R620-V624 PolarHBondContact O-N 3.47Å; R620-E649 WeakPolarHBondContact CD-OE1 3.43Å; R620-E649 IonicContact CZ-OE1 2.98Å; R620-E649 IonicContact NE-OE1 2.8Å; R620-E649 IonicContact NH1-OE1 3.85Å; R620-E649 PolarHBondContact NH1-OE1 2.98Å
621	E	97.9	Very high	95.8	Very high	114 Å²	114	30.7 Å²	30.7	53%	0.533	15%	0.15	S	C	.	.	H	α-helix	trans	-62.4	-42.4	172.7	-177.7	170.5	-155.5	0	0	111.7	Q617 Y618 G625 A655	Q617-E621 WeakPolarHBondContact O-CB 3.45Å; Q617-E621 PolarHBondContact O-N 3.48Å; Y618-E621 PolarHBondContact O-N 3.32Å; E621-G625 PolarHBondContact O-N 2.97Å; E621-A655 HydrophobicContact CB-CB 4.41Å
622	Y	98.3	Very high	95.8	Very high	15 Å²	15	32.5 Å²	32.5	6%	0.059	16%	0.159	C	C	.	.	H	α-helix	trans	-61.2	-45.7	174.4	174.6	-87.4	0	0	0	111.9	L573 L595 W598 P599 K600 L601 L609 Y618 V619 R620 G625 C626	L573-Y622 HydrophobicContact CD2-CD1 4.09Å; L573-Y622 HydrophobicContact CD2-CE1 3.63Å; L595-Y622 HydrophobicContact CD1-CD1 4.02Å; L595-Y622 HydrophobicContact CD1-CD2 3.92Å; L595-Y622 HydrophobicContact CD1-CE2 4.42Å; L595-Y622 HydrophobicContact CD1-CG 3.71Å; L595-Y622 HydrophobicContact CG-CD2 4.25Å; L595-Y622 HydrophobicContact CG-CG 4.24Å; W598-Y622 HydrophobicContact CB-CE2 4.29Å; P599-Y622 PolarHBondContact O-OH 2.92Å; K600-Y622 VanDerWaalsContact CA-OH 3.24Å; K600-Y622 WeakPolarHBondContact CA-OH 3.16Å; K600-Y622 HydrophobicContact CD-CD2 4.48Å; K600-Y622 HydrophobicContact CD-CE2 3.91Å; K600-Y622 PolarHBondContact N-OH 3.03Å; K600-Y622 VanDerWaalsContact NZ-CD2 3.3Å; K600-Y622 PolarHBondContact NZ-O 3.46Å; L601-Y622 HydrophobicContact CD1-CE1 4.47Å; L601-Y622 HydrophobicContact CG-CE1 4.25Å; L601-Y622 PolarHBondContact N-OH 3.28Å; L609-Y622 HydrophobicContact CD1-CD1 4.09Å; L609-Y622 HydrophobicContact CD1-CE1 4.24Å; Y618-Y622 VanDerWaalsContact O-CB 3.3Å; Y618-Y622 WeakPolarHBondContact O-CB 3.37Å; Y618-Y622 PolarHBondContact O-N 2.91Å; V619-Y622 WeakPolarHBondContact O-CB 3.32Å; V619-Y622 PolarHBondContact O-N 3.23Å; R620-Y622 VanDerWaalsContact C-N 3.35Å; Y622-G625 CarbonylContact O-C 3.56Å; Y622-G625 WeakPolarHBondContact O-CA 3.31Å; Y622-G625 PolarHBondContact O-N 2.73Å; Y622-G625 VanDerWaalsContact O-N 3.14Å; Y622-C626 VanDerWaalsContact CE1-SG 3.57Å; Y622-C626 PolarHBondContact O-N 2.94Å; Y622-C626 PolarHBondContact O-SG 2.87Å
623	A	98.4	Very high	95.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.6	-50.5	178.1	0	0	0	0	0	111.2	L609 L610 V619 R620 G625 C626 L627	L609-A623 HydrophobicContact CB-CB 3.69Å; L609-A623 HydrophobicContact CD1-CB 4.3Å; L610-A623 HydrophobicContact CD2-CB 4.03Å; L610-A623 HydrophobicContact CG-CB 4.16Å; V619-A623 WeakPolarHBondContact O-CB 3.1Å; V619-A623 PolarHBondContact O-N 3.01Å; R620-A623 PolarHBondContact O-N 3.29Å; A623-G625 VanDerWaalsContact C-N 3.25Å; A623-G625 PolarHBondContact O-N 3.28Å; A623-C626 WeakPolarHBondContact O-CA 3.48Å; A623-C626 VanDerWaalsContact O-CB 3.31Å; A623-C626 WeakPolarHBondContact O-CB 3.35Å; A623-C626 PolarHBondContact O-N 3.24Å; A623-L627 WeakPolarHBondContact O-CG 3.36Å; A623-L627 PolarHBondContact O-N 3.23Å
624	V	98.4	Very high	95.7	Very high	3 Å²	3	35 Å²	35	2%	0.018	17%	0.17	C	C	.	.	H	α-helix	trans	-59.8	-37.4	174	172.3	0	0	0	0	111.3	L610 R620 C626 L627 R628 A655 L656 F659	L610-V624 HydrophobicContact CD2-CG2 4.4Å; R620-V624 WeakPolarHBondContact O-CG2 3.43Å; R620-V624 PolarHBondContact O-N 3.47Å; V624-C626 PolarHBondContact O-N 3.4Å; V624-L627 PolarHBondContact O-N 2.7Å; V624-L627 VanDerWaalsContact O-N 3.16Å; V624-R628 WeakPolarHBondContact O-CG 3.37Å; V624-R628 PolarHBondContact O-N 3.13Å; V624-A655 HydrophobicContact CB-CB 4.18Å; V624-A655 HydrophobicContact CG1-CB 4.3Å; V624-A655 HydrophobicContact CG2-CB 4.11Å; V624-L656 HydrophobicContact CG2-CB 4.1Å; V624-L656 HydrophobicContact CG2-CD1 4.27Å; V624-F659 HydrophobicContact CG1-CB 3.55Å; V624-F659 HydrophobicContact CG1-CD1 4.47Å; V624-F659 HydrophobicContact CG1-CD2 4.31Å; V624-F659 HydrophobicContact CG1-CG 3.87Å
625	G	98.1	Very high	95.7	Very high	20 Å²	20	34.7 Å²	34.7	21%	0.206	17%	0.169	C	C	.	.	H	α-helix	trans	-61	-29.5	173.1	0	0	0	0	0	113.9	E621 Y622 A623	E621-G625 PolarHBondContact O-N 2.97Å; Y622-G625 CarbonylContact O-C 3.56Å; Y622-G625 WeakPolarHBondContact O-CA 3.31Å; Y622-G625 PolarHBondContact O-N 2.73Å; Y622-G625 VanDerWaalsContact O-N 3.14Å; A623-G625 VanDerWaalsContact C-N 3.25Å; A623-G625 PolarHBondContact O-N 3.28Å
626	C	98.1	Very high	95.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-75.6	-44.3	171	-55.4	0	0	0	0	110.8	K600 L601 A606 Y622 A623 V624 R628 Q629	K600-C626 VanDerWaalsContact CD-SG 3.51Å; L601-C626 WeakPolarHBondContact O-CB 3.5Å; A606-C626 HydrophobicContact CB-CB 3.55Å; Y622-C626 VanDerWaalsContact CE1-SG 3.57Å; Y622-C626 PolarHBondContact O-N 2.94Å; Y622-C626 PolarHBondContact O-SG 2.87Å; A623-C626 WeakPolarHBondContact O-CA 3.48Å; A623-C626 VanDerWaalsContact O-CB 3.31Å; A623-C626 WeakPolarHBondContact O-CB 3.35Å; A623-C626 PolarHBondContact O-N 3.24Å; V624-C626 PolarHBondContact O-N 3.4Å; C626-R628 PolarHBondContact O-N 3.01Å; C626-Q629 WeakPolarHBondContact O-CB 3.08Å; C626-Q629 PolarHBondContact O-N 3.48Å
627	L	97.9	Very high	95.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.1	-25.3	177.8	-60.8	-176.4	0	0	0	113.5	P603 A606 L607 L610 A623 V624 Q629 M630 L642 F659	P603-L627 HydrophobicContact CB-CD2 4.06Å; P603-L627 WeakPolarHBondContact O-CD2 3.4Å; A606-L627 HydrophobicContact CB-CD2 4.46Å; L607-L627 HydrophobicContact CD2-CD1 4.5Å; L607-L627 HydrophobicContact CD2-CD2 4.07Å; L607-L627 HydrophobicContact CG-CD2 4.32Å; L610-L627 HydrophobicContact CD1-CD1 3.6Å; A623-L627 WeakPolarHBondContact O-CG 3.36Å; A623-L627 PolarHBondContact O-N 3.23Å; V624-L627 PolarHBondContact O-N 2.7Å; V624-L627 VanDerWaalsContact O-N 3.16Å; L627-Q629 PolarHBondContact O-N 3.37Å; L627-Q629 VanDerWaalsContact O-N 3.15Å; L627-M630 HydrophobicContact CD2-CE 3.83Å; L627-M630 WeakPolarHBondContact O-CB 3.43Å; L627-M630 PolarHBondContact O-N 2.93Å; L627-L642 HydrophobicContact CD1-CD2 3.83Å; L627-F659 HydrophobicContact CB-CE1 4.19Å; L627-F659 HydrophobicContact CB-CZ 4Å
628	R	96.9	Very high	95.3	Very high	121 Å²	121	35.2 Å²	35.2	46%	0.457	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-20.4	172.9	-78	177.2	179.6	-84.4	-6.8	113.9	V624 C626 F659 E662	V624-R628 WeakPolarHBondContact O-CG 3.37Å; V624-R628 PolarHBondContact O-N 3.13Å; C626-R628 PolarHBondContact O-N 3.01Å; R628-F659 HydrophobicContact CG-CD2 3.8Å; R628-F659 HydrophobicContact CG-CE2 3.93Å; R628-E662 IonicContact CZ-OE2 3.97Å; R628-E662 VanDerWaalsContact NH1-CD 3.27Å; R628-E662 IonicContact NH1-OE1 2.74Å; R628-E662 PolarHBondContact NH1-OE1 2.76Å; R628-E662 VanDerWaalsContact NH1-OE1 3.12Å; R628-E662 IonicContact NH1-OE2 3.74Å; R628-E662 PolarHBondContact NH1-OE2 3.12Å; R628-E662 IonicContact NH2-OE2 2.76Å; R628-E662 PolarHBondContact NH2-OE2 3.38Å
629	Q	94	Very high	95.4	Very high	127 Å²	127	34 Å²	34	59%	0.593	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-12.3	176.9	-56.2	177.9	19.6	0	0	113.1	C626 L627	C626-Q629 WeakPolarHBondContact O-CB 3.08Å; C626-Q629 PolarHBondContact O-N 3.48Å; L627-Q629 PolarHBondContact O-N 3.37Å; L627-Q629 VanDerWaalsContact O-N 3.15Å
630	M	92.9	Very high	95.4	Very high	7 Å²	7	34.4 Å²	34.4	3%	0.034	17%	0.173	C	C	.	.	S	Bend	trans	-73.1	138.9	-178.7	-172.7	-173.6	-77.7	0	0	111.5	P603 L627 E634 L635 Y638 R663	P603-M630 HydrophobicContact CB-CB 4.02Å; P603-M630 HydrophobicContact CB-CE 3.39Å; P603-M630 HydrophobicContact CB-CG 4.38Å; P603-M630 HydrophobicContact CG-CB 4.08Å; L627-M630 HydrophobicContact CD2-CE 3.83Å; L627-M630 WeakPolarHBondContact O-CB 3.43Å; L627-M630 PolarHBondContact O-N 2.93Å; M630-E634 HydrophobicContact CE-CG 4.18Å; M630-E634 HydrophobicContact CG-CB 3.56Å; M630-E634 HydrophobicContact CG-CG 3.59Å; M630-E634 WeakPolarHBondContact CG-OE2 3.44Å; M630-E634 VanDerWaalsContact SD-C 3.54Å; M630-E634 HydrophobicContact SD-CB 4.19Å; M630-E634 HydrophobicContact SD-CG 3.89Å; M630-L635 HydrophobicContact CG-CB 4.4Å; M630-L635 WeakPolarHBondContact SD-CA 3.5Å; M630-L635 HydrophobicContact SD-CB 3.79Å; M630-L635 HydrophobicContact SD-CD1 4.26Å; M630-L635 PolarHBondContact SD-N 2.57Å; M630-Y638 HydrophobicContact CE-CD2 3.59Å; M630-Y638 HydrophobicContact CE-CE2 3.88Å; M630-Y638 HydrophobicContact SD-CD2 3.98Å; M630-Y638 HydrophobicContact SD-CE2 4.48Å; M630-R663 PolarHBondContact O-NH1 3.43Å; M630-R663 VanDerWaalsContact O-NH1 3.1Å; M630-R663 PolarHBondContact O-NH2 3.48Å
631	S	91.6	Very high	95.3	Very high	54 Å²	54	34 Å²	34	38%	0.378	17%	0.172	S	C	.	.			trans	-65.3	165.3	173.7	91.1	0	0	0	0	112	E633 E634 L635 R663	S631-E633 VanDerWaalsContact C-N 3.3Å; S631-E633 VanDerWaalsContact CB-OE2 3.24Å; S631-E633 WeakPolarHBondContact CB-OE2 3.44Å; S631-E633 PolarHBondContact OG-N 3.39Å; S631-E633 PolarHBondContact OG-OE2 3.46Å; S631-E634 PolarHBondContact OG-N 3.31Å; S631-E634 VanDerWaalsContact OG-N 3.17Å; S631-L635 VanDerWaalsContact O-CB 3.3Å; S631-L635 WeakPolarHBondContact O-CB 3.33Å; S631-L635 PolarHBondContact O-N 2.79Å; S631-R663 PolarHBondContact O-NH2 2.85Å
632	D	91.6	Very high	95.4	Very high	46 Å²	46	28.6 Å²	28.6	25%	0.246	15%	0.147	C	C	.	.	H	α-helix	trans	-67.7	-33.9	177.6	-82.2	-12.7	0	0	0	111.9	L635 S636 R663 N667 I670	D632-L635 PolarHBondContact O-N 2.91Å; D632-S636 WeakPolarHBondContact O-CB 3.27Å; D632-S636 PolarHBondContact O-N 3.18Å; D632-R663 VanDerWaalsContact CA-NH2 3.32Å; D632-R663 IonicContact OD1-CZ 2.9Å; D632-R663 IonicContact OD1-NE 2.86Å; D632-R663 PolarHBondContact OD1-NE 2.96Å; D632-R663 IonicContact OD1-NH2 2.78Å; D632-R663 PolarHBondContact OD1-NH2 3.48Å; D632-N667 WeakPolarHBondContact CB-ND2 3.43Å; D632-N667 PolarHBondContact OD2-ND2 2.95Å; D632-I670 HydrophobicContact CB-CD1 3.69Å; D632-I670 WeakPolarHBondContact OD1-CD1 3.49Å
633	E	87.8	Confident	95.4	Very high	64 Å²	64	27.9 Å²	27.9	30%	0.299	14%	0.144	S	C	.	.	H	α-helix	trans	-66.4	-47.4	176.4	-57	72.8	-157.4	0	0	110.8	S631 S636 Q637	S631-E633 VanDerWaalsContact C-N 3.3Å; S631-E633 VanDerWaalsContact CB-OE2 3.24Å; S631-E633 WeakPolarHBondContact CB-OE2 3.44Å; S631-E633 PolarHBondContact OG-N 3.39Å; S631-E633 PolarHBondContact OG-OE2 3.46Å; E633-S636 PolarHBondContact O-N 3.17Å; E633-S636 PolarHBondContact O-OG 2.7Å; E633-Q637 PolarHBondContact O-N 2.77Å
634	E	91.2	Very high	95.3	Very high	44 Å²	44	28 Å²	28	21%	0.206	14%	0.144	C	C	.	.	H	α-helix	trans	-67	-38.1	176.5	-174.2	174.6	-151.8	0	0	111.2	R604 M630 S631 S636 Q637 Y638	R604-E634 WeakPolarHBondContact CG-OE1 3.45Å; R604-E634 IonicContact CZ-OE1 3.96Å; R604-E634 IonicContact NE-OE1 2.71Å; R604-E634 PolarHBondContact NE-OE1 3.13Å; R604-E634 IonicContact NH2-OE1 2.78Å; M630-E634 HydrophobicContact CE-CG 4.18Å; M630-E634 HydrophobicContact CG-CB 3.56Å; M630-E634 HydrophobicContact CG-CG 3.59Å; M630-E634 WeakPolarHBondContact CG-OE2 3.44Å; M630-E634 VanDerWaalsContact SD-C 3.54Å; M630-E634 HydrophobicContact SD-CB 4.19Å; M630-E634 HydrophobicContact SD-CG 3.89Å; S631-E634 PolarHBondContact OG-N 3.31Å; S631-E634 VanDerWaalsContact OG-N 3.17Å; E634-S636 VanDerWaalsContact C-N 3.31Å; E634-S636 PolarHBondContact O-N 2.84Å; E634-Q637 WeakPolarHBondContact O-CB 3.25Å; E634-Q637 PolarHBondContact O-N 3Å; E634-Q637 VanDerWaalsContact O-N 3.08Å; E634-Y638 HydrophobicContact CG-CD2 4.27Å; E634-Y638 HydrophobicContact CG-CE2 3.6Å; E634-Y638 VanDerWaalsContact O-CD2 3.3Å; E634-Y638 WeakPolarHBondContact O-CD2 3.43Å
635	L	95	Very high	95.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.7	-41.2	174.3	176.4	59.6	0	0	0	111.8	M630 S631 D632 Q637 Y638 L639 L642 F659 R663 I670	M630-L635 HydrophobicContact CG-CB 4.4Å; M630-L635 WeakPolarHBondContact SD-CA 3.5Å; M630-L635 HydrophobicContact SD-CB 3.79Å; M630-L635 HydrophobicContact SD-CD1 4.26Å; M630-L635 PolarHBondContact SD-N 2.57Å; S631-L635 VanDerWaalsContact O-CB 3.3Å; S631-L635 WeakPolarHBondContact O-CB 3.33Å; S631-L635 PolarHBondContact O-N 2.79Å; D632-L635 PolarHBondContact O-N 2.91Å; L635-Q637 PolarHBondContact O-N 3.28Å; L635-Y638 PolarHBondContact O-N 3.2Å; L635-L639 PolarHBondContact O-N 2.98Å; L635-L642 HydrophobicContact CD1-CD1 3.35Å; L635-F659 HydrophobicContact CD1-CE1 3.97Å; L635-F659 HydrophobicContact CD1-CZ 4.18Å; L635-F659 HydrophobicContact CD2-CE1 4.31Å; L635-F659 HydrophobicContact CD2-CZ 4.05Å; L635-R663 HydrophobicContact CD2-CB 3.71Å; L635-R663 HydrophobicContact CD2-CG 3.66Å; L635-I670 HydrophobicContact CD2-CD1 3.96Å; L635-I670 HydrophobicContact CG-CD1 4.44Å
636	S	92.2	Very high	95.2	Very high	47 Å²	47	27 Å²	27	33%	0.329	13%	0.134	S	C	.	.	H	α-helix	trans	-59.8	-28.8	177.4	80	0	0	0	0	112.7	D632 E633 E634 Y638	D632-S636 WeakPolarHBondContact O-CB 3.27Å; D632-S636 PolarHBondContact O-N 3.18Å; E633-S636 PolarHBondContact O-N 3.17Å; E633-S636 PolarHBondContact O-OG 2.7Å; E634-S636 VanDerWaalsContact C-N 3.31Å; E634-S636 PolarHBondContact O-N 2.84Å; S636-Y638 VanDerWaalsContact C-N 3.32Å; S636-Y638 PolarHBondContact O-N 2.72Å
637	Q	92.4	Very high	95.1	Very high	40 Å²	40	28.4 Å²	28.4	19%	0.187	14%	0.14	C	C	.	.	H	α-helix	trans	-70.8	-25.6	177.2	-59.9	-52.6	-47.3	0	0	113	E633 E634 L635 Q818 L825	E633-Q637 PolarHBondContact O-N 2.77Å; E634-Q637 WeakPolarHBondContact O-CB 3.25Å; E634-Q637 PolarHBondContact O-N 3Å; E634-Q637 VanDerWaalsContact O-N 3.08Å; L635-Q637 PolarHBondContact O-N 3.28Å; Q637-Q818 PolarHBondContact O-NE2 3.19Å; Q637-L825 HydrophobicContact CG-CD1 4.41Å
638	Y	96.6	Very high	94.8	Very high	1 Å²	1	29.2 Å²	29.2	0%	0.004	14%	0.143	C	C	.	.	H	α-helix	trans	-115.5	1.8	-175.9	-49.3	-54	0	0	0	113.5	R604 L607 M630 E634 L635 S636 L640 Q641 L642 L822 L999 L1003	R604-Y638 HydrophobicContact CG-CE2 4.33Å; R604-Y638 PolarHBondContact NE-OH 2.91Å; L607-Y638 HydrophobicContact CD1-CD1 4.18Å; L607-Y638 HydrophobicContact CD1-CD2 4.01Å; L607-Y638 HydrophobicContact CD1-CE1 4.49Å; L607-Y638 HydrophobicContact CD1-CE2 4.29Å; L607-Y638 HydrophobicContact CD1-CG 3.93Å; M630-Y638 HydrophobicContact CE-CD2 3.59Å; M630-Y638 HydrophobicContact CE-CE2 3.88Å; M630-Y638 HydrophobicContact SD-CD2 3.98Å; M630-Y638 HydrophobicContact SD-CE2 4.48Å; E634-Y638 HydrophobicContact CG-CD2 4.27Å; E634-Y638 HydrophobicContact CG-CE2 3.6Å; E634-Y638 VanDerWaalsContact O-CD2 3.3Å; E634-Y638 WeakPolarHBondContact O-CD2 3.43Å; L635-Y638 PolarHBondContact O-N 3.2Å; S636-Y638 VanDerWaalsContact C-N 3.32Å; S636-Y638 PolarHBondContact O-N 2.72Å; Y638-L640 PolarHBondContact O-N 3.03Å; Y638-Q641 PolarHBondContact O-N 2.81Å; Y638-Q641 VanDerWaalsContact O-N 3.12Å; Y638-Q641 PolarHBondContact O-OE1 3.24Å; Y638-L642 WeakPolarHBondContact O-CG 3.45Å; Y638-L642 PolarHBondContact O-N 3.23Å; Y638-L822 HydrophobicContact CE1-CD1 4.21Å; Y638-L822 HydrophobicContact CE1-CD2 4.44Å; Y638-L999 HydrophobicContact CE1-CD1 4.46Å; Y638-L1003 HydrophobicContact CD1-CD1 4.1Å; Y638-L1003 HydrophobicContact CD1-CD2 3.59Å; Y638-L1003 HydrophobicContact CD1-CG 4.5Å; Y638-L1003 HydrophobicContact CE1-CD1 3.96Å; Y638-L1003 HydrophobicContact CE1-CD2 4.18Å; Y638-L1003 HydrophobicContact CG-CD2 4.38Å
639	L	98	Very high	94.7	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.01	13%	0.126	C	C	.	.	H	α-helix	trans	-56.7	-36.5	-176.1	-175.4	62	0	0	0	112.4	L635 L642 V643 L660 I670 F673 L674	L635-L639 PolarHBondContact O-N 2.98Å; L639-L642 PolarHBondContact O-N 2.97Å; L639-V643 HydrophobicContact CD1-CG2 4.45Å; L639-V643 WeakPolarHBondContact O-CG2 3.43Å; L639-V643 PolarHBondContact O-N 3.44Å; L639-L660 HydrophobicContact CD1-CD2 3.83Å; L639-I670 HydrophobicContact CD1-CG2 4.49Å; L639-I670 HydrophobicContact CD2-CG2 4.25Å; L639-F673 HydrophobicContact CD2-CB 3.68Å; L639-L674 HydrophobicContact CD1-CD1 4.49Å
640	L	97.4	Very high	94.7	Very high	10 Å²	10	18.5 Å²	18.5	5%	0.052	10%	0.099	C	C	.	.	H	α-helix	trans	-57.5	-52.7	176.9	179.2	58.2	0	0	0	111	Y638 V643 Q644 M814 L815 M1007	Y638-L640 PolarHBondContact O-N 3.03Å; L640-V643 PolarHBondContact O-N 3.16Å; L640-Q644 WeakPolarHBondContact O-CG 3.48Å; L640-Q644 PolarHBondContact O-N 3.3Å; L640-M814 HydrophobicContact CD1-CE 3.38Å; L640-M814 HydrophobicContact CD2-CE 3.86Å; L640-M814 HydrophobicContact CD2-CG 4.36Å; L640-M814 HydrophobicContact CG-CE 4.27Å; L640-L815 HydrophobicContact CD2-CB 4.41Å; L640-L815 HydrophobicContact CD2-CD1 4.49Å; L640-M1007 HydrophobicContact CD2-CE 3.95Å; L640-M1007 HydrophobicContact CD2-SD 4.23Å; L640-M1007 HydrophobicContact CG-CE 4.05Å; L640-M1007 HydrophobicContact CG-SD 3.93Å
641	Q	97.8	Very high	94.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63	-44	179.7	-71.9	71	22.5	0	0	111.2	Y638 V643 Q644 V645 Q818 L1003 L1006 M1007	Y638-Q641 PolarHBondContact O-N 2.81Å; Y638-Q641 VanDerWaalsContact O-N 3.12Å; Y638-Q641 PolarHBondContact O-OE1 3.24Å; Q641-V643 VanDerWaalsContact C-N 3.27Å; Q641-V643 PolarHBondContact O-N 2.96Å; Q641-Q644 CarbonylContact O-C 3.54Å; Q641-Q644 WeakPolarHBondContact O-CA 3.3Å; Q641-Q644 WeakPolarHBondContact O-CB 3.3Å; Q641-Q644 PolarHBondContact O-N 2.63Å; Q641-V645 WeakPolarHBondContact O-CG2 3.38Å; Q641-V645 PolarHBondContact O-N 3.01Å; Q641-Q818 VanDerWaalsContact CD-NE2 3.32Å; Q641-Q818 VanDerWaalsContact NE2-NE2 3.16Å; Q641-L1003 HydrophobicContact CB-CD2 4.38Å; Q641-L1003 HydrophobicContact CG-CB 4.28Å; Q641-L1003 HydrophobicContact CG-CD2 3.78Å; Q641-L1003 WeakPolarHBondContact CG-O 3.38Å; Q641-L1006 HydrophobicContact CB-CB 3.92Å; Q641-L1006 HydrophobicContact CB-CD1 3.98Å; Q641-L1006 HydrophobicContact CG-CB 4.09Å; Q641-M1007 HydrophobicContact CG-CG 3.91Å; Q641-M1007 HydrophobicContact CG-SD 3.95Å
642	L	98.5	Very high	95.1	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62	-34.9	-179.7	-66	174.6	0	0	0	112.4	L607 L610 L627 L635 Y638 L639 V645 L646 L656 L660	L607-L642 HydrophobicContact CD2-CD2 3.81Å; L607-L642 HydrophobicContact CD2-CG 4.46Å; L610-L642 HydrophobicContact CD1-CD2 3.59Å; L627-L642 HydrophobicContact CD1-CD2 3.83Å; L635-L642 HydrophobicContact CD1-CD1 3.35Å; Y638-L642 WeakPolarHBondContact O-CG 3.45Å; Y638-L642 PolarHBondContact O-N 3.23Å; L639-L642 PolarHBondContact O-N 2.97Å; L642-V645 PolarHBondContact O-N 3.24Å; L642-L646 PolarHBondContact O-N 2.89Å; L642-L656 HydrophobicContact CD2-CD1 4.17Å; L642-L660 HydrophobicContact CB-CD1 4.34Å; L642-L660 HydrophobicContact CB-CD2 4.08Å; L642-L660 HydrophobicContact CD1-CD2 4.2Å
643	V	98.3	Very high	95.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-66.4	-38.8	171.6	172.7	0	0	0	0	111.3	L639 L640 Q641 V645 L646 L674 H677 L678 F691	L639-V643 HydrophobicContact CD1-CG2 4.45Å; L639-V643 WeakPolarHBondContact O-CG2 3.43Å; L639-V643 PolarHBondContact O-N 3.44Å; L640-V643 PolarHBondContact O-N 3.16Å; Q641-V643 VanDerWaalsContact C-N 3.27Å; Q641-V643 PolarHBondContact O-N 2.96Å; V643-V645 VanDerWaalsContact C-N 3.32Å; V643-V645 PolarHBondContact O-N 2.69Å; V643-L646 WeakPolarHBondContact O-CB 3.39Å; V643-L646 PolarHBondContact O-N 2.92Å; V643-L674 HydrophobicContact CG2-CD1 3.58Å; V643-H677 HydrophobicContact CB-CB 4.35Å; V643-H677 HydrophobicContact CG1-CB 4.05Å; V643-H677 HydrophobicContact CG2-CB 4.12Å; V643-L678 HydrophobicContact CG1-CD2 3.9Å; V643-L678 HydrophobicContact CG1-CG 4.42Å; V643-F691 HydrophobicContact CG1-CE2 4.44Å; V643-F691 HydrophobicContact CG1-CZ 4.17Å
644	Q	97.2	Very high	95.8	Very high	3 Å²	3	14.5 Å²	14.5	1%	0.014	8%	0.075	C	C	.	.	H	α-helix	trans	-68.1	-31.1	176.3	-60.1	-54	-38.5	0	0	112.7	L640 Q641 L646 K647 E681 M1007 T1009 A1010	L640-Q644 WeakPolarHBondContact O-CG 3.48Å; L640-Q644 PolarHBondContact O-N 3.3Å; Q641-Q644 CarbonylContact O-C 3.54Å; Q641-Q644 WeakPolarHBondContact O-CA 3.3Å; Q641-Q644 WeakPolarHBondContact O-CB 3.3Å; Q641-Q644 PolarHBondContact O-N 2.63Å; Q644-L646 VanDerWaalsContact C-N 3.27Å; Q644-L646 PolarHBondContact O-N 2.94Å; Q644-K647 VanDerWaalsContact O-CB 3.26Å; Q644-K647 WeakPolarHBondContact O-CB 3.43Å; Q644-K647 WeakPolarHBondContact O-CG 3.44Å; Q644-K647 PolarHBondContact O-N 3.24Å; Q644-K647 VanDerWaalsContact O-N 3.15Å; Q644-K647 VanDerWaalsContact OE1-CE 3.24Å; Q644-E681 PolarHBondContact NE2-OE1 3.27Å; Q644-M1007 HydrophobicContact CB-SD 4.35Å; Q644-M1007 HydrophobicContact CG-CE 4.08Å; Q644-M1007 HydrophobicContact CG-SD 3.64Å; Q644-T1009 PolarHBondContact O-OG1 2.99Å; Q644-A1010 HydrophobicContact CG-CB 4.16Å; Q644-A1010 VanDerWaalsContact OE1-CA 3.29Å
645	V	97.3	Very high	96.1	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-63.8	-31	175.4	170.7	0	0	0	0	112.5	L610 Q641 L642 V643 K647 Y648 E649 L656 L1006	L610-V645 HydrophobicContact CB-CG1 3.97Å; L610-V645 HydrophobicContact CB-CG2 4.25Å; L610-V645 WeakPolarHBondContact O-CG1 3.36Å; Q641-V645 WeakPolarHBondContact O-CG2 3.38Å; Q641-V645 PolarHBondContact O-N 3.01Å; L642-V645 PolarHBondContact O-N 3.24Å; V643-V645 VanDerWaalsContact C-N 3.32Å; V643-V645 PolarHBondContact O-N 2.69Å; V645-K647 PolarHBondContact O-N 3.13Å; V645-Y648 WeakPolarHBondContact O-CB 3.33Å; V645-Y648 PolarHBondContact O-N 3.34Å; V645-E649 PolarHBondContact O-N 3.28Å; V645-L656 HydrophobicContact CB-CD2 3.76Å; V645-L656 HydrophobicContact CG1-CD2 3.36Å; V645-L1006 HydrophobicContact CG2-CB 4.14Å; V645-L1006 HydrophobicContact CG2-CD1 4.2Å; V645-L1006 HydrophobicContact CG2-CD2 3.71Å; V645-L1006 HydrophobicContact CG2-CG 4.2Å
646	L	97.4	Very high	96.3	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.005	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-27.3	175.5	-68.4	171.6	0	0	0	111.8	L642 V643 Q644 Y648 E649 L656 L660 L678 Q690 F691 I694	L642-L646 PolarHBondContact O-N 2.89Å; V643-L646 WeakPolarHBondContact O-CB 3.39Å; V643-L646 PolarHBondContact O-N 2.92Å; Q644-L646 VanDerWaalsContact C-N 3.27Å; Q644-L646 PolarHBondContact O-N 2.94Å; L646-Y648 VanDerWaalsContact C-N 3.28Å; L646-Y648 PolarHBondContact O-N 2.92Å; L646-E649 WeakPolarHBondContact O-CB 3.38Å; L646-E649 PolarHBondContact O-N 3.37Å; L646-E649 VanDerWaalsContact O-N 3.15Å; L646-L656 HydrophobicContact CD2-CB 4.31Å; L646-L656 HydrophobicContact CD2-CD2 3.98Å; L646-L656 HydrophobicContact CD2-CG 3.94Å; L646-L656 HydrophobicContact CG-CD2 4.3Å; L646-L660 HydrophobicContact CD1-CD1 3.94Å; L646-L660 HydrophobicContact CD2-CD1 4.36Å; L646-L660 HydrophobicContact CG-CD1 4.17Å; L646-L678 HydrophobicContact CD1-CD2 4.31Å; L646-Q690 PolarHBondContact O-NE2 2.89Å; L646-Q690 PolarHBondContact O-OE1 2.76Å; L646-F691 HydrophobicContact CB-CE1 4.04Å; L646-F691 HydrophobicContact CD1-CE1 4.39Å; L646-I694 HydrophobicContact CD1-CD1 3.88Å
647	K	95.1	Very high	96.6	Very high	30 Å²	30	11.7 Å²	11.7	13%	0.13	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-22.9	176.5	-56.3	178.8	166.1	172.7	0	114	Q644 V645 E681 V687 F691 T1009	Q644-K647 VanDerWaalsContact O-CB 3.26Å; Q644-K647 WeakPolarHBondContact O-CB 3.43Å; Q644-K647 WeakPolarHBondContact O-CG 3.44Å; Q644-K647 PolarHBondContact O-N 3.24Å; Q644-K647 VanDerWaalsContact O-N 3.15Å; Q644-K647 VanDerWaalsContact OE1-CE 3.24Å; V645-K647 PolarHBondContact O-N 3.13Å; K647-E681 WeakPolarHBondContact CE-OE2 3.25Å; K647-E681 IonicContact NZ-OE1 2.99Å; K647-E681 IonicContact NZ-OE2 3.62Å; K647-E681 PolarHBondContact NZ-OE2 3.39Å; K647-V687 HydrophobicContact CD-CG1 4.18Å; K647-V687 HydrophobicContact CG-CG1 3.79Å; K647-F691 HydrophobicContact CG-CE1 4.43Å; K647-F691 HydrophobicContact CG-CZ 3.97Å; K647-T1009 HydrophobicContact CB-CG2 4.03Å; K647-T1009 WeakPolarHBondContact CD-O 3.11Å; K647-T1009 PolarHBondContact NZ-O 3.45Å
648	Y	92.1	Very high	96.8	Very high	17 Å²	17	14.8 Å²	14.8	7%	0.067	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-24.6	172.2	-67.6	-53.3	0	0	0	112.4	M476 F612 V645 L646 P650 T1009	M476-Y648 HydrophobicContact CE-CE1 3.73Å; F612-Y648 HydrophobicContact CB-CD1 4.05Å; F612-Y648 HydrophobicContact CB-CE1 3.69Å; F612-Y648 HydrophobicContact CB-CE2 4.45Å; F612-Y648 HydrophobicContact CD1-CE1 4.38Å; F612-Y648 HydrophobicContact CD1-CE2 4.44Å; F612-Y648 AromaticContact CD1-CZ 3.86Å; F612-Y648 WeakPolarHBondContact CD1-OH 3.41Å; F612-Y648 HydrophobicContact CG-CE1 4.47Å; V645-Y648 WeakPolarHBondContact O-CB 3.33Å; V645-Y648 PolarHBondContact O-N 3.34Å; L646-Y648 VanDerWaalsContact C-N 3.28Å; L646-Y648 PolarHBondContact O-N 2.92Å; Y648-P650 WeakPolarHBondContact O-CD 3.49Å; Y648-T1009 HydrophobicContact CD1-CG2 3.52Å; Y648-T1009 HydrophobicContact CD2-CG2 4.02Å; Y648-T1009 HydrophobicContact CE1-CG2 3.04Å; Y648-T1009 HydrophobicContact CE2-CG2 3.6Å; Y648-T1009 HydrophobicContact CG-CG2 3.98Å; Y648-T1009 WeakPolarHBondContact OH-CG2 3.42Å
649	E	95.5	Very high	96.9	Very high	18 Å²	18	14.8 Å²	14.8	8%	0.084	7%	0.072	C	C	.	.			trans	-64.8	121.4	-178.7	-65.5	-70.3	172.4	0	0	110	R620 V645 L646 F651 C654	R620-E649 WeakPolarHBondContact CD-OE1 3.43Å; R620-E649 IonicContact CZ-OE1 2.98Å; R620-E649 IonicContact NE-OE1 2.8Å; R620-E649 IonicContact NH1-OE1 3.85Å; R620-E649 PolarHBondContact NH1-OE1 2.98Å; V645-E649 PolarHBondContact O-N 3.28Å; L646-E649 WeakPolarHBondContact O-CB 3.38Å; L646-E649 PolarHBondContact O-N 3.37Å; L646-E649 VanDerWaalsContact O-N 3.15Å; E649-F651 VanDerWaalsContact C-N 3.28Å; E649-F651 PolarHBondContact O-N 2.82Å; E649-C654 HydrophobicContact CB-CB 4.43Å; E649-C654 HydrophobicContact CG-CB 4.22Å
650	P	93.6	Very high	96.9	Very high	4 Å²	4	14.8 Å²	14.8	3%	0.026	7%	0.072	C	C	.	.	S	Bend	trans	-77.2	-18.3	-176.4	29.1	-32.9	0	0	0	113.1	M397 M444 V479 Y648	M397-P650 HydrophobicContact CE-CG 3.28Å; M397-P650 HydrophobicContact SD-CG 4.48Å; M444-P650 HydrophobicContact CE-CB 3.93Å; M444-P650 HydrophobicContact CE-CG 4Å; M444-P650 HydrophobicContact CG-CB 3.75Å; M444-P650 HydrophobicContact SD-CB 3.63Å; M444-P650 HydrophobicContact SD-CG 4.33Å; V479-P650 HydrophobicContact CG2-CB 3.86Å; Y648-P650 WeakPolarHBondContact O-CD 3.49Å
651	F	96.2	Very high	96.9	Very high	23 Å²	23	14.3 Å²	14.3	10%	0.101	7%	0.07	C	C	.	.	S	Bend	trans	-125	152.3	-178.3	-55.7	-61.2	0	0	0	111	E144 M397 M444 F446 D447 F448 E649	E144-F651 WeakPolarHBondContact OE1-CA 3.42Å; E144-F651 WeakPolarHBondContact OE1-CB 3.34Å; M397-F651 HydrophobicContact CE-CE2 4.38Å; M397-F651 HydrophobicContact SD-CE2 4.12Å; M444-F651 HydrophobicContact CB-CZ 4.31Å; M444-F651 HydrophobicContact CG-CE1 4.46Å; M444-F651 HydrophobicContact CG-CZ 4.22Å; F446-F651 WeakPolarHBondContact O-CZ 3.43Å; D447-F651 VanDerWaalsContact C-CE1 3.41Å; D447-F651 VanDerWaalsContact O-CZ 3.29Å; D447-F651 WeakPolarHBondContact O-CZ 3.46Å; F448-F651 HydrophobicContact CB-CD1 3.63Å; F448-F651 HydrophobicContact CB-CE1 4.06Å; F448-F651 HydrophobicContact CB-CG 4.19Å; F448-F651 VanDerWaalsContact N-CE1 3.33Å; E649-F651 VanDerWaalsContact C-N 3.28Å; E649-F651 PolarHBondContact O-N 2.82Å
652	L	96.6	Very high	96.9	Very high	8 Å²	8	17 Å²	17	4%	0.042	8%	0.083	C	C	.	.	S	Bend	trans	-69.8	-44.4	-178.8	-59.6	176.5	0	0	0	112	E144 V145 F148 C654 S657 Q690 V693	E144-L652 HydrophobicContact CG-CD1 4.19Å; E144-L652 HydrophobicContact CG-CG 4.35Å; E144-L652 PolarHBondContact OE1-N 3.43Å; V145-L652 HydrophobicContact CB-CD1 4.37Å; V145-L652 HydrophobicContact CG2-CD1 3.87Å; F148-L652 HydrophobicContact CB-CB 4Å; F148-L652 HydrophobicContact CB-CD1 4.12Å; F148-L652 HydrophobicContact CD1-CB 4.21Å; F148-L652 HydrophobicContact CD1-CD1 4.48Å; F148-L652 HydrophobicContact CD2-CB 3.69Å; F148-L652 HydrophobicContact CE2-CB 4.18Å; F148-L652 WeakPolarHBondContact CE2-O 3.48Å; F148-L652 HydrophobicContact CG-CB 3.69Å; F148-L652 HydrophobicContact CG-CD1 4.34Å; L652-C654 VanDerWaalsContact C-N 3.32Å; L652-C654 PolarHBondContact O-N 2.72Å; L652-C654 VanDerWaalsContact O-N 3.08Å; L652-S657 PolarHBondContact O-OG 3.13Å; L652-Q690 HydrophobicContact CD2-CB 3.92Å; L652-Q690 HydrophobicContact CD2-CG 3.8Å; L652-V693 HydrophobicContact CD1-CG2 4.39Å; L652-V693 HydrophobicContact CD2-CG2 4.32Å
653	D	97.1	Very high	96.8	Very high	43 Å²	43	18.5 Å²	18.5	23%	0.23	9%	0.088	C	C	.	.	S	Bend	trans	-85.6	64.2	-176.1	-163.6	13.6	0	0	0	112	F148 K151 R658	F148-D653 HydrophobicContact CD2-CB 3.84Å; F148-D653 HydrophobicContact CE2-CB 4.47Å; K151-D653 VanDerWaalsContact CD-OD2 3.24Å; K151-D653 WeakPolarHBondContact CD-OD2 3.47Å; K151-D653 IonicContact NZ-OD2 3.51Å; K151-D653 PolarHBondContact NZ-OD2 3.42Å; D653-R658 IonicContact OD1-CZ 3.54Å; D653-R658 IonicContact OD1-NE 3.63Å; D653-R658 PolarHBondContact OD1-NE 3.43Å; D653-R658 IonicContact OD1-NH2 3.2Å; D653-R658 PolarHBondContact OD1-NH2 3.41Å; D653-R658 IonicContact OD2-CZ 2.67Å; D653-R658 IonicContact OD2-NH2 2.65Å; D653-R658 PolarHBondContact OD2-NH2 3.05Å
654	C	96.9	Very high	96.7	Very high	14 Å²	14	18.6 Å²	18.6	10%	0.095	9%	0.089	C	C	.	.			trans	-101.4	163.2	180	68.4	0	0	0	0	112.7	E649 L652 L656 S657 R658	E649-C654 HydrophobicContact CB-CB 4.43Å; E649-C654 HydrophobicContact CG-CB 4.22Å; L652-C654 VanDerWaalsContact C-N 3.32Å; L652-C654 PolarHBondContact O-N 2.72Å; L652-C654 VanDerWaalsContact O-N 3.08Å; C654-L656 PolarHBondContact O-N 3.04Å; C654-S657 PolarHBondContact N-OG 3.28Å; C654-S657 PolarHBondContact O-N 3.4Å; C654-S657 PolarHBondContact O-OG 3.02Å; C654-S657 VanDerWaalsContact O-OG 3.13Å; C654-S657 PolarHBondContact SG-N 3.2Å; C654-S657 PolarHBondContact SG-OG 3.06Å; C654-R658 WeakPolarHBondContact O-CG 3.46Å; C654-R658 PolarHBondContact O-N 3.48Å
655	A	97.8	Very high	96.5	Very high	31 Å²	31	19.5 Å²	19.5	26%	0.256	9%	0.094	S	C	.	.	H	α-helix	trans	-59.4	-36.7	178.2	0	0	0	0	0	112.1	E621 V624 F659	E621-A655 HydrophobicContact CB-CB 4.41Å; V624-A655 HydrophobicContact CB-CB 4.18Å; V624-A655 HydrophobicContact CG1-CB 4.3Å; V624-A655 HydrophobicContact CG2-CB 4.11Å; A655-F659 WeakPolarHBondContact O-CB 3.13Å; A655-F659 PolarHBondContact O-N 3.29Å
656	L	98.4	Very high	96.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-69.6	-44.5	-178.9	-178	62.5	0	0	0	112.5	L610 V624 L642 V645 L646 C654 R658 F659 L660	L610-L656 HydrophobicContact CD1-CD1 4.38Å; V624-L656 HydrophobicContact CG2-CB 4.1Å; V624-L656 HydrophobicContact CG2-CD1 4.27Å; L642-L656 HydrophobicContact CD2-CD1 4.17Å; V645-L656 HydrophobicContact CB-CD2 3.76Å; V645-L656 HydrophobicContact CG1-CD2 3.36Å; L646-L656 HydrophobicContact CD2-CB 4.31Å; L646-L656 HydrophobicContact CD2-CD2 3.98Å; L646-L656 HydrophobicContact CD2-CG 3.94Å; L646-L656 HydrophobicContact CG-CD2 4.3Å; C654-L656 PolarHBondContact O-N 3.04Å; L656-R658 VanDerWaalsContact C-N 3.32Å; L656-R658 PolarHBondContact O-N 3.3Å; L656-F659 HydrophobicContact CD1-CD1 4.25Å; L656-F659 PolarHBondContact O-N 2.65Å; L656-L660 HydrophobicContact CD1-CD1 4.12Å; L656-L660 HydrophobicContact CD1-CG 4.08Å; L656-L660 HydrophobicContact CG-CD1 4.06Å; L656-L660 HydrophobicContact CG-CG 4.4Å; L656-L660 WeakPolarHBondContact O-CG 3.23Å; L656-L660 PolarHBondContact O-N 3.48Å
657	S	97.9	Very high	96	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.007	11%	0.112	C	C	.	.	H	α-helix	trans	-63.5	-40.6	178.9	66.7	0	0	0	0	111.3	L652 C654 L661	L652-S657 PolarHBondContact O-OG 3.13Å; C654-S657 PolarHBondContact N-OG 3.28Å; C654-S657 PolarHBondContact O-N 3.4Å; C654-S657 PolarHBondContact O-OG 3.02Å; C654-S657 VanDerWaalsContact O-OG 3.13Å; C654-S657 PolarHBondContact SG-N 3.2Å; C654-S657 PolarHBondContact SG-OG 3.06Å; S657-L661 WeakPolarHBondContact O-CB 3.38Å; S657-L661 WeakPolarHBondContact O-CG 3.31Å; S657-L661 PolarHBondContact O-N 3.41Å
658	R	97.7	Very high	95.8	Very high	105 Å²	105	22.1 Å²	22.1	40%	0.396	11%	0.114	S	C	.	.	H	α-helix	trans	-61.6	-47.3	172.7	-68.8	176.2	175.5	-130.2	1.2	112.4	M152 D653 C654 L656 L661 E662	M152-R658 HydrophobicContact CE-CG 4.14Å; M152-R658 HydrophobicContact SD-CG 4.5Å; D653-R658 IonicContact OD1-CZ 3.54Å; D653-R658 IonicContact OD1-NE 3.63Å; D653-R658 PolarHBondContact OD1-NE 3.43Å; D653-R658 IonicContact OD1-NH2 3.2Å; D653-R658 PolarHBondContact OD1-NH2 3.41Å; D653-R658 IonicContact OD2-CZ 2.67Å; D653-R658 IonicContact OD2-NH2 2.65Å; D653-R658 PolarHBondContact OD2-NH2 3.05Å; C654-R658 WeakPolarHBondContact O-CG 3.46Å; C654-R658 PolarHBondContact O-N 3.48Å; L656-R658 VanDerWaalsContact C-N 3.32Å; L656-R658 PolarHBondContact O-N 3.3Å; R658-L661 PolarHBondContact O-N 2.89Å; R658-E662 VanDerWaalsContact O-CB 3.23Å; R658-E662 WeakPolarHBondContact O-CB 3.42Å; R658-E662 PolarHBondContact O-N 3.47Å
659	F	98.3	Very high	95.9	Very high	1 Å²	1	23.2 Å²	23.2	0%	0.004	12%	0.118	C	C	.	.	H	α-helix	trans	-61.2	-47.8	178.7	166.5	-105.9	0	0	0	112.2	V624 L627 R628 L635 A655 L656 L661 E662 R663	V624-F659 HydrophobicContact CG1-CB 3.55Å; V624-F659 HydrophobicContact CG1-CD1 4.47Å; V624-F659 HydrophobicContact CG1-CD2 4.31Å; V624-F659 HydrophobicContact CG1-CG 3.87Å; L627-F659 HydrophobicContact CB-CE1 4.19Å; L627-F659 HydrophobicContact CB-CZ 4Å; R628-F659 HydrophobicContact CG-CD2 3.8Å; R628-F659 HydrophobicContact CG-CE2 3.93Å; L635-F659 HydrophobicContact CD1-CE1 3.97Å; L635-F659 HydrophobicContact CD1-CZ 4.18Å; L635-F659 HydrophobicContact CD2-CE1 4.31Å; L635-F659 HydrophobicContact CD2-CZ 4.05Å; A655-F659 WeakPolarHBondContact O-CB 3.13Å; A655-F659 PolarHBondContact O-N 3.29Å; L656-F659 HydrophobicContact CD1-CD1 4.25Å; L656-F659 PolarHBondContact O-N 2.65Å; F659-L661 PolarHBondContact O-N 3.03Å; F659-E662 WeakPolarHBondContact O-CB 3.4Å; F659-E662 PolarHBondContact O-N 3.22Å; F659-R663 HydrophobicContact CD2-CG 3.97Å; F659-R663 HydrophobicContact CE1-CG 4.47Å; F659-R663 HydrophobicContact CE2-CG 3.6Å; F659-R663 HydrophobicContact CZ-CG 3.89Å; F659-R663 VanDerWaalsContact O-CG 3.3Å; F659-R663 WeakPolarHBondContact O-CG 3.44Å; F659-R663 PolarHBondContact O-N 3.37Å
660	L	98.5	Very high	95.9	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.01	12%	0.115	C	C	.	.	H	α-helix	trans	-63.6	-42.7	179.5	-69.9	175.8	0	0	0	111.6	L639 L642 L646 L656 R663 A664 L674	L639-L660 HydrophobicContact CD1-CD2 3.83Å; L642-L660 HydrophobicContact CB-CD1 4.34Å; L642-L660 HydrophobicContact CB-CD2 4.08Å; L642-L660 HydrophobicContact CD1-CD2 4.2Å; L646-L660 HydrophobicContact CD1-CD1 3.94Å; L646-L660 HydrophobicContact CD2-CD1 4.36Å; L646-L660 HydrophobicContact CG-CD1 4.17Å; L656-L660 HydrophobicContact CD1-CD1 4.12Å; L656-L660 HydrophobicContact CD1-CG 4.08Å; L656-L660 HydrophobicContact CG-CD1 4.06Å; L656-L660 HydrophobicContact CG-CG 4.4Å; L656-L660 WeakPolarHBondContact O-CG 3.23Å; L656-L660 PolarHBondContact O-N 3.48Å; L660-R663 PolarHBondContact O-N 3.02Å; L660-A664 WeakPolarHBondContact O-CB 3.2Å; L660-A664 PolarHBondContact O-N 3.19Å; L660-L674 HydrophobicContact CB-CD1 4.46Å; L660-L674 HydrophobicContact CB-CD2 4.37Å
661	L	97.7	Very high	96.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.9	-44.3	174	-77.9	169.4	0	0	0	111.8	M152 F155 S657 R658 F659 R663 A664 L665 I694 A697	M152-L661 HydrophobicContact CG-CD1 4.37Å; M152-L661 HydrophobicContact SD-CD1 3.83Å; F155-L661 HydrophobicContact CE1-CB 4.36Å; S657-L661 WeakPolarHBondContact O-CB 3.38Å; S657-L661 WeakPolarHBondContact O-CG 3.31Å; S657-L661 PolarHBondContact O-N 3.41Å; R658-L661 PolarHBondContact O-N 2.89Å; F659-L661 PolarHBondContact O-N 3.03Å; L661-R663 PolarHBondContact O-N 3.15Å; L661-A664 PolarHBondContact O-N 2.97Å; L661-L665 WeakPolarHBondContact O-CB 3.37Å; L661-L665 WeakPolarHBondContact O-CG 3.33Å; L661-L665 PolarHBondContact O-N 3.07Å; L661-I694 HydrophobicContact CD1-CG2 4.37Å; L661-I694 HydrophobicContact CD2-CG2 3.97Å; L661-I694 HydrophobicContact CG-CG2 4.14Å; L661-A697 HydrophobicContact CD1-CB 3.95Å; L661-A697 HydrophobicContact CD2-CB 4.13Å
662	E	96.2	Very high	96.1	Very high	57 Å²	57	21.3 Å²	21.3	27%	0.266	11%	0.109	S	C	.	.	H	α-helix	trans	-58.5	-45.8	178	-174.7	-177.9	168.4	0	0	112.1	F155 R628 R658 F659 G666	F155-E662 HydrophobicContact CZ-CB 3.92Å; F155-E662 HydrophobicContact CZ-CG 4.25Å; R628-E662 IonicContact CZ-OE2 3.97Å; R628-E662 VanDerWaalsContact NH1-CD 3.27Å; R628-E662 IonicContact NH1-OE1 2.74Å; R628-E662 PolarHBondContact NH1-OE1 2.76Å; R628-E662 VanDerWaalsContact NH1-OE1 3.12Å; R628-E662 IonicContact NH1-OE2 3.74Å; R628-E662 PolarHBondContact NH1-OE2 3.12Å; R628-E662 IonicContact NH2-OE2 2.76Å; R628-E662 PolarHBondContact NH2-OE2 3.38Å; R658-E662 VanDerWaalsContact O-CB 3.23Å; R658-E662 WeakPolarHBondContact O-CB 3.42Å; R658-E662 PolarHBondContact O-N 3.47Å; F659-E662 WeakPolarHBondContact O-CB 3.4Å; F659-E662 PolarHBondContact O-N 3.22Å; E662-G666 PolarHBondContact O-N 3.06Å; E662-G666 VanDerWaalsContact O-N 3.15Å
663	R	96.1	Very high	96.2	Very high	31 Å²	31	23.2 Å²	23.2	12%	0.117	12%	0.117	C	C	.	.	H	α-helix	trans	-69.4	-42.2	178.2	-64.4	-68.4	-71.2	-91.7	3.8	112.1	M630 S631 D632 L635 F659 L660 L661 L665 G666 N667 I670	M630-R663 PolarHBondContact O-NH1 3.43Å; M630-R663 VanDerWaalsContact O-NH1 3.1Å; M630-R663 PolarHBondContact O-NH2 3.48Å; S631-R663 PolarHBondContact O-NH2 2.85Å; D632-R663 VanDerWaalsContact CA-NH2 3.32Å; D632-R663 IonicContact OD1-CZ 2.9Å; D632-R663 IonicContact OD1-NE 2.86Å; D632-R663 PolarHBondContact OD1-NE 2.96Å; D632-R663 IonicContact OD1-NH2 2.78Å; D632-R663 PolarHBondContact OD1-NH2 3.48Å; L635-R663 HydrophobicContact CD2-CB 3.71Å; L635-R663 HydrophobicContact CD2-CG 3.66Å; F659-R663 HydrophobicContact CD2-CG 3.97Å; F659-R663 HydrophobicContact CE1-CG 4.47Å; F659-R663 HydrophobicContact CE2-CG 3.6Å; F659-R663 HydrophobicContact CZ-CG 3.89Å; F659-R663 VanDerWaalsContact O-CG 3.3Å; F659-R663 WeakPolarHBondContact O-CG 3.44Å; F659-R663 PolarHBondContact O-N 3.37Å; L660-R663 PolarHBondContact O-N 3.02Å; L661-R663 PolarHBondContact O-N 3.15Å; R663-L665 PolarHBondContact O-N 3.32Å; R663-G666 PolarHBondContact O-N 3.22Å; R663-N667 PolarHBondContact O-N 3.02Å; R663-I670 HydrophobicContact CB-CG2 4.48Å
664	A	96.6	Very high	96.3	Very high	2 Å²	2	21.2 Å²	21.2	2%	0.017	11%	0.106	C	C	.	.	H	α-helix	trans	-64.6	-35.9	177.5	0	0	0	0	0	113.7	L660 L661 N667 I670 L674 Y698	L660-A664 WeakPolarHBondContact O-CB 3.2Å; L660-A664 PolarHBondContact O-N 3.19Å; L661-A664 PolarHBondContact O-N 2.97Å; A664-N667 CarbonylContact O-C 3.59Å; A664-N667 VanDerWaalsContact O-O 3.05Å; A664-I670 HydrophobicContact CB-CG2 4.38Å; A664-L674 HydrophobicContact CB-CB 4.35Å; A664-L674 HydrophobicContact CB-CD2 3.42Å; A664-L674 VanDerWaalsContact CB-CD2 3.42Å; A664-L674 HydrophobicContact CB-CG 4.5Å; A664-Y698 HydrophobicContact CB-CD2 4Å; A664-Y698 HydrophobicContact CB-CE2 4.02Å
665	L	93.7	Very high	96.3	Very high	21 Å²	21	20.6 Å²	20.6	11%	0.11	10%	0.102	C	C	.	.	H	α-helix	trans	-76.6	-24.6	175.7	-66.7	178.1	0	0	0	112.5	F155 K159 L661 R663 Y698 S702	F155-L665 HydrophobicContact CD1-CD1 4.39Å; F155-L665 HydrophobicContact CE1-CD1 4Å; K159-L665 HydrophobicContact CB-CD1 4.11Å; K159-L665 HydrophobicContact CG-CD1 4.02Å; L661-L665 WeakPolarHBondContact O-CB 3.37Å; L661-L665 WeakPolarHBondContact O-CG 3.33Å; L661-L665 PolarHBondContact O-N 3.07Å; R663-L665 PolarHBondContact O-N 3.32Å; L665-Y698 HydrophobicContact CD2-CD2 3.96Å; L665-Y698 HydrophobicContact CD2-CE2 4.38Å; L665-S702 WeakPolarHBondContact CD2-OG 3.11Å
666	G	91.3	Very high	96.4	Very high	33 Å²	33	19.3 Å²	19.3	34%	0.34	9%	0.09	S	C	.	.	H	α-helix	trans	-84.6	-17.9	174.9	0	0	0	0	0	114.7	Q174 E662 R663	Q174-G666 WeakPolarHBondContact CB-O 3.3Å; E662-G666 PolarHBondContact O-N 3.06Å; E662-G666 VanDerWaalsContact O-N 3.15Å; R663-G666 PolarHBondContact O-N 3.22Å
667	N	92.8	Very high	96.4	Very high	8 Å²	8	20 Å²	20	4%	0.043	9%	0.094	C	C	.	.			trans	-144	110.3	-176.9	-178.6	-39.3	0	0	0	110.6	D632 R663 A664 R669 I670 G671	D632-N667 WeakPolarHBondContact CB-ND2 3.43Å; D632-N667 PolarHBondContact OD2-ND2 2.95Å; R663-N667 PolarHBondContact O-N 3.02Å; A664-N667 CarbonylContact O-C 3.59Å; A664-N667 VanDerWaalsContact O-O 3.05Å; N667-R669 VanDerWaalsContact C-N 3.26Å; N667-R669 PolarHBondContact O-N 3.27Å; N667-R669 VanDerWaalsContact OD1-CB 3.31Å; N667-R669 WeakPolarHBondContact OD1-CB 3.21Å; N667-R669 PolarHBondContact OD1-N 3.27Å; N667-I670 HydrophobicContact CB-CB 4.24Å; N667-I670 HydrophobicContact CB-CD1 4.04Å; N667-I670 HydrophobicContact CB-CG1 4.18Å; N667-I670 PolarHBondContact O-N 2.93Å; N667-I670 PolarHBondContact OD1-N 2.95Å; N667-G671 PolarHBondContact O-N 3.38Å
668	R	91.7	Very high	96.4	Very high	46 Å²	46	20 Å²	20	17%	0.174	9%	0.094	C	C	.	.	H	α-helix	trans	-63.7	-27.3	-175.4	-69.9	-169.9	-159.7	-169.3	1.3	114.6	Q174 T175 E296 G671 Q672	Q174-R668 PolarHBondContact O-N 2.75Å; Q174-R668 VanDerWaalsContact O-N 3.14Å; T175-R668 VanDerWaalsContact CG2-NE 3.33Å; T175-R668 PolarHBondContact OG1-NE 2.97Å; T175-R668 VanDerWaalsContact OG1-NE 3.16Å; T175-R668 PolarHBondContact OG1-NH2 3.5Å; E296-R668 IonicContact OE1-CZ 2.71Å; E296-R668 VanDerWaalsContact OE1-CZ 3.28Å; E296-R668 IonicContact OE1-NH1 3.32Å; E296-R668 PolarHBondContact OE1-NH1 3.11Å; E296-R668 IonicContact OE1-NH2 3.53Å; E296-R668 PolarHBondContact OE1-NH2 3.43Å; E296-R668 IonicContact OE2-CZ 3.24Å; E296-R668 VanDerWaalsContact OE2-CZ 3.3Å; E296-R668 IonicContact OE2-NH1 3.37Å; E296-R668 PolarHBondContact OE2-NH1 3.45Å; E296-R668 IonicContact OE2-NH2 2.89Å; E296-R668 PolarHBondContact OE2-NH2 3.18Å; R668-G671 PolarHBondContact O-N 3.48Å; R668-Q672 PolarHBondContact O-N 3.3Å
669	R	92.8	Very high	96.3	Very high	40 Å²	40	17.5 Å²	17.5	15%	0.151	8%	0.084	C	C	.	.	H	α-helix	trans	-67.5	-47.9	177	-174.1	-171.9	-60	-135.7	6.2	110.2	E179 N667 G671 Q672 F673 P764 C765	E179-R669 IonicContact OE1-CZ 3.69Å; E179-R669 VanDerWaalsContact OE1-CZ 3.31Å; E179-R669 IonicContact OE1-NH1 3.84Å; E179-R669 PolarHBondContact OE1-NH1 3.3Å; E179-R669 IonicContact OE1-NH2 3.12Å; E179-R669 IonicContact OE2-CZ 2.7Å; E179-R669 IonicContact OE2-NH1 3.85Å; E179-R669 PolarHBondContact OE2-NH1 2.9Å; E179-R669 IonicContact OE2-NH2 2.72Å; E179-R669 PolarHBondContact OE2-NH2 3.32Å; N667-R669 VanDerWaalsContact C-N 3.26Å; N667-R669 PolarHBondContact O-N 3.27Å; N667-R669 VanDerWaalsContact OD1-CB 3.31Å; N667-R669 WeakPolarHBondContact OD1-CB 3.21Å; N667-R669 PolarHBondContact OD1-N 3.27Å; R669-G671 VanDerWaalsContact C-N 3.27Å; R669-G671 PolarHBondContact O-N 2.9Å; R669-Q672 PolarHBondContact O-N 3.44Å; R669-F673 HydrophobicContact CG-CD2 4.28Å; R669-F673 HydrophobicContact CG-CE2 4Å; R669-F673 VanDerWaalsContact O-CD2 3.24Å; R669-F673 WeakPolarHBondContact O-CD2 3.22Å; R669-F673 PolarHBondContact O-N 3.13Å; R669-P764 HydrophobicContact CG-CG 4.07Å; R669-C765 PolarHBondContact NH2-SG 2.8Å
670	I	96.6	Very high	96.2	Very high	5 Å²	5	17.7 Å²	17.7	3%	0.026	9%	0.085	C	C	.	.	H	α-helix	trans	-59.3	-43.9	172.2	-63.9	179.2	0	0	0	109.7	D632 L635 L639 R663 A664 N667 Q672 F673 L674	D632-I670 HydrophobicContact CB-CD1 3.69Å; D632-I670 WeakPolarHBondContact OD1-CD1 3.49Å; L635-I670 HydrophobicContact CD2-CD1 3.96Å; L635-I670 HydrophobicContact CG-CD1 4.44Å; L639-I670 HydrophobicContact CD1-CG2 4.49Å; L639-I670 HydrophobicContact CD2-CG2 4.25Å; R663-I670 HydrophobicContact CB-CG2 4.48Å; A664-I670 HydrophobicContact CB-CG2 4.38Å; N667-I670 HydrophobicContact CB-CB 4.24Å; N667-I670 HydrophobicContact CB-CD1 4.04Å; N667-I670 HydrophobicContact CB-CG1 4.18Å; N667-I670 PolarHBondContact O-N 2.93Å; N667-I670 PolarHBondContact OD1-N 2.95Å; I670-Q672 PolarHBondContact O-N 3.24Å; I670-F673 PolarHBondContact O-N 3.33Å; I670-L674 WeakPolarHBondContact O-CB 3.44Å; I670-L674 PolarHBondContact O-N 3.15Å
671	G	97	Very high	96.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-57.4	-42.3	176.4	0	0	0	0	0	114.1	N667 R668 R669 F675 Y698	N667-G671 PolarHBondContact O-N 3.38Å; R668-G671 PolarHBondContact O-N 3.48Å; R669-G671 VanDerWaalsContact C-N 3.27Å; R669-G671 PolarHBondContact O-N 2.9Å; G671-F675 WeakPolarHBondContact O-CB 3.11Å; G671-F675 PolarHBondContact O-N 3.45Å; G671-Y698 VanDerWaalsContact CA-OH 3.27Å; G671-Y698 WeakPolarHBondContact CA-OH 3.26Å; G671-Y698 PolarHBondContact O-OH 3.46Å
672	Q	97.1	Very high	95.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-62.4	-48.3	176.7	177.4	163.5	-57.8	0	0	111.5	R668 R669 I670 F675 W676 L709 S760 P761	R668-Q672 PolarHBondContact O-N 3.3Å; R669-Q672 PolarHBondContact O-N 3.44Å; I670-Q672 PolarHBondContact O-N 3.24Å; Q672-F675 WeakPolarHBondContact O-CB 3.43Å; Q672-F675 PolarHBondContact O-N 2.9Å; Q672-W676 VanDerWaalsContact O-CD1 3.23Å; Q672-W676 PolarHBondContact O-N 3.43Å; Q672-L709 HydrophobicContact CG-CD2 4.36Å; Q672-S760 PolarHBondContact NE2-O 3.48Å; Q672-P761 PolarHBondContact NE2-O 3.23Å; Q672-P761 VanDerWaalsContact NE2-O 3.09Å
673	F	98	Very high	95.6	Very high	48 Å²	48	19.5 Å²	19.5	21%	0.211	9%	0.094	C	C	.	.	H	α-helix	trans	-70.2	-37.2	-179.4	-70.1	-66.7	0	0	0	112.2	L639 R669 I670 F675 W676 H677 L842	L639-F673 HydrophobicContact CD2-CB 3.68Å; R669-F673 HydrophobicContact CG-CD2 4.28Å; R669-F673 HydrophobicContact CG-CE2 4Å; R669-F673 VanDerWaalsContact O-CD2 3.24Å; R669-F673 WeakPolarHBondContact O-CD2 3.22Å; R669-F673 PolarHBondContact O-N 3.13Å; I670-F673 PolarHBondContact O-N 3.33Å; F673-F675 VanDerWaalsContact C-N 3.33Å; F673-F675 PolarHBondContact O-N 3.3Å; F673-W676 PolarHBondContact O-N 3.39Å; F673-H677 WeakPolarHBondContact O-CB 3.1Å; F673-H677 PolarHBondContact O-CD2 2.98Å; F673-H677 PolarHBondContact O-N 3.26Å; F673-L842 HydrophobicContact CD1-CD1 4.29Å
674	L	98.6	Very high	95.4	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-58.7	-47	171.9	-179.5	64.6	0	0	0	110.5	L639 V643 L660 A664 I670 W676 H677 L678	L639-L674 HydrophobicContact CD1-CD1 4.49Å; V643-L674 HydrophobicContact CG2-CD1 3.58Å; L660-L674 HydrophobicContact CB-CD1 4.46Å; L660-L674 HydrophobicContact CB-CD2 4.37Å; A664-L674 HydrophobicContact CB-CB 4.35Å; A664-L674 HydrophobicContact CB-CD2 3.42Å; A664-L674 VanDerWaalsContact CB-CD2 3.42Å; A664-L674 HydrophobicContact CB-CG 4.5Å; I670-L674 WeakPolarHBondContact O-CB 3.44Å; I670-L674 PolarHBondContact O-N 3.15Å; L674-W676 PolarHBondContact O-N 3.24Å; L674-H677 PolarHBondContact O-N 3.44Å; L674-L678 HydrophobicContact CD1-CD1 3.89Å; L674-L678 HydrophobicContact CD1-CG 4.16Å; L674-L678 HydrophobicContact CG-CD1 3.87Å; L674-L678 WeakPolarHBondContact O-CB 3.27Å; L674-L678 VanDerWaalsContact O-CG 3.25Å; L674-L678 WeakPolarHBondContact O-CG 3.34Å; L674-L678 PolarHBondContact O-N 3.23Å
675	F	98.6	Very high	95.2	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-56.1	-52.1	175.4	173.6	-90.3	0	0	0	111.4	L129 G671 Q672 F673 L678 R679 L695 Y698 L709 V713	L129-F675 HydrophobicContact CD1-CE2 4.49Å; L129-F675 HydrophobicContact CD1-CZ 3.99Å; L129-F675 HydrophobicContact CD2-CE2 4.09Å; L129-F675 HydrophobicContact CD2-CZ 4.39Å; L129-F675 HydrophobicContact CG-CE2 3.86Å; L129-F675 HydrophobicContact CG-CZ 3.82Å; G671-F675 WeakPolarHBondContact O-CB 3.11Å; G671-F675 PolarHBondContact O-N 3.45Å; Q672-F675 WeakPolarHBondContact O-CB 3.43Å; Q672-F675 PolarHBondContact O-N 2.9Å; F673-F675 VanDerWaalsContact C-N 3.33Å; F673-F675 PolarHBondContact O-N 3.3Å; F675-L678 PolarHBondContact O-N 3.12Å; F675-R679 HydrophobicContact CD1-CB 4.49Å; F675-R679 HydrophobicContact CE1-CB 4.21Å; F675-R679 HydrophobicContact CE1-CG 4.26Å; F675-R679 HydrophobicContact CZ-CB 4.36Å; F675-R679 HydrophobicContact CZ-CG 4.27Å; F675-R679 WeakPolarHBondContact O-CB 3.41Å; F675-R679 PolarHBondContact O-N 3.03Å; F675-L695 HydrophobicContact CB-CD2 4.45Å; F675-L695 HydrophobicContact CD2-CD2 3.51Å; F675-L695 HydrophobicContact CE2-CD2 4Å; F675-L695 HydrophobicContact CG-CD2 4.19Å; F675-Y698 HydrophobicContact CB-CD1 4.29Å; F675-Y698 HydrophobicContact CB-CE1 3.88Å; F675-Y698 HydrophobicContact CD2-CD1 4.29Å; F675-Y698 HydrophobicContact CD2-CE1 4.27Å; F675-Y698 HydrophobicContact CG-CE1 4.46Å; F675-L709 HydrophobicContact CB-CD1 4.4Å; F675-L709 HydrophobicContact CD1-CD1 4.29Å; F675-L709 HydrophobicContact CD1-CD2 3.82Å; F675-L709 HydrophobicContact CD2-CD1 3.93Å; F675-L709 HydrophobicContact CE1-CB 4.41Å; F675-L709 HydrophobicContact CE1-CD2 4.23Å; F675-L709 HydrophobicContact CE2-CD1 4.28Å; F675-L709 HydrophobicContact CG-CD1 3.94Å; F675-L709 HydrophobicContact CG-CD2 4.18Å; F675-L709 HydrophobicContact CZ-CB 4.46Å; F675-V713 HydrophobicContact CE1-CG2 4.4Å; F675-V713 HydrophobicContact CZ-CG2 4.38Å
676	W	98.4	Very high	95	Very high	4 Å²	4	22.4 Å²	22.4	2%	0.015	12%	0.117	C	C	.	.	H	α-helix	trans	-67.2	-39.3	-176.8	-79	115.4	0	0	0	113.3	Q672 F673 L674 R679 S680 Q712 V713 L716 P761 L842 T844	Q672-W676 VanDerWaalsContact O-CD1 3.23Å; Q672-W676 PolarHBondContact O-N 3.43Å; F673-W676 PolarHBondContact O-N 3.39Å; L674-W676 PolarHBondContact O-N 3.24Å; W676-R679 HydrophobicContact CE3-CG 4.46Å; W676-R679 HydrophobicContact CZ3-CG 4.31Å; W676-R679 PolarHBondContact O-N 2.74Å; W676-S680 WeakPolarHBondContact O-CB 3.25Å; W676-S680 PolarHBondContact O-N 3Å; W676-S680 PolarHBondContact O-OG 3.47Å; W676-Q712 HydrophobicContact CZ2-CB 3.75Å; W676-V713 HydrophobicContact CH2-CG2 3.63Å; W676-V713 HydrophobicContact CZ2-CG2 4.27Å; W676-V713 HydrophobicContact CZ3-CG2 4.43Å; W676-L716 HydrophobicContact CH2-CD1 3.23Å; W676-L716 HydrophobicContact CZ2-CD1 3.88Å; W676-L716 HydrophobicContact CZ3-CD1 3.64Å; W676-P761 HydrophobicContact CZ2-CB 4.44Å; W676-L842 HydrophobicContact CB-CD1 4.12Å; W676-L842 HydrophobicContact CB-CD2 3.99Å; W676-L842 HydrophobicContact CB-CG 4.39Å; W676-L842 HydrophobicContact CD2-CD2 4.45Å; W676-L842 HydrophobicContact CG-CD2 3.87Å; W676-T844 HydrophobicContact CD2-CG2 4.36Å; W676-T844 HydrophobicContact CE3-CG2 3.84Å; W676-T844 HydrophobicContact CZ3-CG2 4.07Å
677	H	98.4	Very high	95.2	Very high	16 Å²	16	21.2 Å²	21.2	7%	0.074	10%	0.104	C	C	.	.	H	α-helix	trans	-62.5	-46.5	175.8	-67.5	-31.6	0	0	0	111.6	V643 F673 L674 S680	V643-H677 HydrophobicContact CB-CB 4.35Å; V643-H677 HydrophobicContact CG1-CB 4.05Å; V643-H677 HydrophobicContact CG2-CB 4.12Å; F673-H677 WeakPolarHBondContact O-CB 3.1Å; F673-H677 PolarHBondContact O-CD2 2.98Å; F673-H677 PolarHBondContact O-N 3.26Å; L674-H677 PolarHBondContact O-N 3.44Å; H677-S680 PolarHBondContact O-OG 3.24Å
678	L	98.4	Very high	95.2	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-65.7	-47.5	176.1	-66.1	170.5	0	0	0	111.9	V643 L646 L674 F675 S680 E681 V682 F691 I694 L695	V643-L678 HydrophobicContact CG1-CD2 3.9Å; V643-L678 HydrophobicContact CG1-CG 4.42Å; L646-L678 HydrophobicContact CD1-CD2 4.31Å; L674-L678 HydrophobicContact CD1-CD1 3.89Å; L674-L678 HydrophobicContact CD1-CG 4.16Å; L674-L678 HydrophobicContact CG-CD1 3.87Å; L674-L678 WeakPolarHBondContact O-CB 3.27Å; L674-L678 VanDerWaalsContact O-CG 3.25Å; L674-L678 WeakPolarHBondContact O-CG 3.34Å; L674-L678 PolarHBondContact O-N 3.23Å; F675-L678 PolarHBondContact O-N 3.12Å; L678-S680 VanDerWaalsContact C-N 3.26Å; L678-S680 PolarHBondContact O-N 2.97Å; L678-E681 PolarHBondContact O-N 2.85Å; L678-E681 VanDerWaalsContact O-N 3.11Å; L678-V682 PolarHBondContact O-N 2.99Å; L678-F691 HydrophobicContact CB-CB 4.36Å; L678-F691 HydrophobicContact CB-CD2 4.47Å; L678-F691 HydrophobicContact CB-CG 4.49Å; L678-F691 HydrophobicContact CD2-CB 3.98Å; L678-F691 HydrophobicContact CD2-CD1 3.52Å; L678-F691 HydrophobicContact CD2-CD2 3.84Å; L678-F691 HydrophobicContact CD2-CE1 3.87Å; L678-F691 HydrophobicContact CD2-CE2 4.16Å; L678-F691 HydrophobicContact CD2-CG 3.5Å; L678-F691 HydrophobicContact CD2-CZ 4.17Å; L678-I694 HydrophobicContact CD1-CB 4.22Å; L678-I694 HydrophobicContact CD1-CG2 3.58Å; L678-L695 HydrophobicContact CB-CD1 4Å; L678-L695 HydrophobicContact CB-CD2 3.8Å; L678-L695 HydrophobicContact CB-CG 3.76Å; L678-L695 HydrophobicContact CD1-CD2 4.09Å; L678-L695 HydrophobicContact CD1-CG 4.08Å
679	R	96.6	Very high	95.4	Very high	51 Å²	51	21.3 Å²	21.3	19%	0.192	11%	0.111	C	C	.	.	H	α-helix	trans	-63.7	-32	-178.6	177.6	59.3	-174.7	83.6	-6.3	112.4	I130 F675 W676 E681 V682 L695	I130-R679 VanDerWaalsContact O-CD 3.25Å; I130-R679 WeakPolarHBondContact O-CD 3.5Å; I130-R679 PolarHBondContact O-NE 3.31Å; I130-R679 VanDerWaalsContact O-NE 3.09Å; F675-R679 HydrophobicContact CD1-CB 4.49Å; F675-R679 HydrophobicContact CE1-CB 4.21Å; F675-R679 HydrophobicContact CE1-CG 4.26Å; F675-R679 HydrophobicContact CZ-CB 4.36Å; F675-R679 HydrophobicContact CZ-CG 4.27Å; F675-R679 WeakPolarHBondContact O-CB 3.41Å; F675-R679 PolarHBondContact O-N 3.03Å; W676-R679 HydrophobicContact CE3-CG 4.46Å; W676-R679 HydrophobicContact CZ3-CG 4.31Å; W676-R679 PolarHBondContact O-N 2.74Å; R679-E681 PolarHBondContact O-N 3.32Å; R679-V682 WeakPolarHBondContact O-CG1 3.35Å; R679-L695 HydrophobicContact CB-CD1 4.42Å
680	S	95.7	Very high	95.5	Very high	5 Å²	5	20.2 Å²	20.2	4%	0.035	11%	0.107	C	C	.	.	H	α-helix	trans	-63.9	-25.6	177.6	74.4	0	0	0	0	112.4	W676 H677 L678 H683 A843 G845	W676-S680 WeakPolarHBondContact O-CB 3.25Å; W676-S680 PolarHBondContact O-N 3Å; W676-S680 PolarHBondContact O-OG 3.47Å; H677-S680 PolarHBondContact O-OG 3.24Å; L678-S680 VanDerWaalsContact C-N 3.26Å; L678-S680 PolarHBondContact O-N 2.97Å; S680-H683 PolarHBondContact O-CE1 3.07Å; S680-H683 PolarHBondContact O-ND1 2.99Å; S680-A843 WeakPolarHBondContact CB-O 3.35Å; S680-G845 CarbonylContact O-C 3.58Å
681	E	96.1	Very high	95.6	Very high	2 Å²	2	20 Å²	20	1%	0.009	11%	0.106	C	C	.	.	H	α-helix	trans	-117.3	-4.4	-173.2	-65.7	-158.7	-158	0	0	114.7	Q644 K647 L678 R679 H683 I684 V687 F691 R811	Q644-E681 PolarHBondContact NE2-OE1 3.27Å; K647-E681 WeakPolarHBondContact CE-OE2 3.25Å; K647-E681 IonicContact NZ-OE1 2.99Å; K647-E681 IonicContact NZ-OE2 3.62Å; K647-E681 PolarHBondContact NZ-OE2 3.39Å; L678-E681 PolarHBondContact O-N 2.85Å; L678-E681 VanDerWaalsContact O-N 3.11Å; R679-E681 PolarHBondContact O-N 3.32Å; E681-H683 PolarHBondContact O-N 3.36Å; E681-I684 HydrophobicContact CB-CD1 4.01Å; E681-I684 HydrophobicContact CG-CD1 4.11Å; E681-I684 VanDerWaalsContact O-CB 3.27Å; E681-I684 WeakPolarHBondContact O-CB 3.24Å; E681-I684 WeakPolarHBondContact O-CG1 3.36Å; E681-I684 PolarHBondContact O-N 2.99Å; E681-V687 WeakPolarHBondContact O-CG2 3.42Å; E681-F691 HydrophobicContact CB-CD2 4.02Å; E681-F691 HydrophobicContact CB-CE2 3.85Å; E681-R811 IonicContact OE1-NH1 3.48Å; E681-R811 PolarHBondContact OE1-NH1 2.93Å; E681-R811 IonicContact OE2-NH1 2.73Å
682	V	94.2	Very high	95.6	Very high	9 Å²	9	20 Å²	20	6%	0.055	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-19.1	178.7	75.8	0	0	0	0	114	I130 L678 R679 I684 S688 L695	I130-V682 HydrophobicContact CG2-CG2 4.38Å; L678-V682 PolarHBondContact O-N 2.99Å; R679-V682 WeakPolarHBondContact O-CG1 3.35Å; V682-I684 VanDerWaalsContact C-N 3.26Å; V682-I684 PolarHBondContact O-N 2.94Å; V682-S688 WeakPolarHBondContact O-CA 3.46Å; V682-S688 WeakPolarHBondContact O-CB 3.31Å; V682-S688 PolarHBondContact O-OG 3.4Å; V682-L695 HydrophobicContact CB-CD1 4.48Å; V682-L695 HydrophobicContact CG2-CD1 4.46Å
683	H	89.7	Confident	95.6	Very high	86 Å²	86	20 Å²	20	40%	0.398	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-16.5	174	71.9	-86.3	0	0	0	113.1	S680 E681 P685	S680-H683 PolarHBondContact O-CE1 3.07Å; S680-H683 PolarHBondContact O-ND1 2.99Å; E681-H683 PolarHBondContact O-N 3.36Å; H683-P685 WeakPolarHBondContact O-CD 3.4Å
684	I	91.7	Very high	95.6	Very high	46 Å²	46	18 Å²	18	24%	0.236	10%	0.097	C	C	.	.	S	Bend	trans	-78.8	119.5	178.9	-59.3	175.1	0	0	0	108.6	E681 V682 A686 V687 S688	E681-I684 HydrophobicContact CB-CD1 4.01Å; E681-I684 HydrophobicContact CG-CD1 4.11Å; E681-I684 VanDerWaalsContact O-CB 3.27Å; E681-I684 WeakPolarHBondContact O-CB 3.24Å; E681-I684 WeakPolarHBondContact O-CG1 3.36Å; E681-I684 PolarHBondContact O-N 2.99Å; V682-I684 VanDerWaalsContact C-N 3.26Å; V682-I684 PolarHBondContact O-N 2.94Å; I684-A686 VanDerWaalsContact C-N 3.29Å; I684-A686 PolarHBondContact O-N 2.91Å; I684-A686 VanDerWaalsContact O-N 3.15Å; I684-V687 HydrophobicContact CB-CG2 3.84Å; I684-V687 HydrophobicContact CG2-CG2 4.19Å; I684-V687 PolarHBondContact O-N 3Å; I684-V687 VanDerWaalsContact O-N 3.13Å; I684-S688 WeakPolarHBondContact O-CB 3.36Å; I684-S688 PolarHBondContact O-N 3.15Å
685	P	91.1	Very high	95.6	Very high	41 Å²	41	17.9 Å²	17.9	27%	0.266	10%	0.097	S	C	.	.	H	α-helix	trans	-55.1	-39.2	-172	-27.3	32.9	0	0	0	114.7	W462 P483 Y484 H683 V687	W462-P685 HydrophobicContact CH2-CB 4.15Å; W462-P685 HydrophobicContact CZ3-CB 4.34Å; P483-P685 HydrophobicContact CG-CB 3.73Å; Y484-P685 HydrophobicContact CE2-CB 3.91Å; Y484-P685 HydrophobicContact CE2-CG 3.54Å; H683-P685 WeakPolarHBondContact O-CD 3.4Å; P685-V687 PolarHBondContact O-N 2.69Å
686	A	91.1	Very high	95.5	Very high	28 Å²	28	18.1 Å²	18.1	23%	0.231	10%	0.098	C	C	.	.	H	α-helix	trans	-64	-24.2	-176.8	0	0	0	0	0	114.3	W462 T478 I684	W462-A686 HydrophobicContact CH2-CB 3.81Å; W462-A686 HydrophobicContact CZ2-CB 3.99Å; T478-A686 HydrophobicContact CG2-CB 4.18Å; I684-A686 VanDerWaalsContact C-N 3.29Å; I684-A686 PolarHBondContact O-N 2.91Å; I684-A686 VanDerWaalsContact O-N 3.15Å
687	V	94.4	Very high	95.4	Very high	8 Å²	8	18.1 Å²	18.1	5%	0.048	10%	0.099	C	C	.	.	H	α-helix	trans	-121.8	-4.9	-176.3	-61.5	0	0	0	0	112.9	K647 E681 I684 P685 V689 Q690 F691	K647-V687 HydrophobicContact CD-CG1 4.18Å; K647-V687 HydrophobicContact CG-CG1 3.79Å; E681-V687 WeakPolarHBondContact O-CG2 3.42Å; I684-V687 HydrophobicContact CB-CG2 3.84Å; I684-V687 HydrophobicContact CG2-CG2 4.19Å; I684-V687 PolarHBondContact O-N 3Å; I684-V687 VanDerWaalsContact O-N 3.13Å; P685-V687 PolarHBondContact O-N 2.69Å; V687-V689 VanDerWaalsContact C-N 3.28Å; V687-V689 PolarHBondContact O-N 3.37Å; V687-Q690 PolarHBondContact O-N 3.47Å; V687-Q690 VanDerWaalsContact O-N 3.13Å; V687-F691 HydrophobicContact CB-CD1 4.26Å; V687-F691 HydrophobicContact CB-CD2 4.11Å; V687-F691 HydrophobicContact CB-CE1 4.33Å; V687-F691 HydrophobicContact CB-CE2 4.19Å; V687-F691 HydrophobicContact CB-CG 4.16Å; V687-F691 HydrophobicContact CB-CZ 4.31Å; V687-F691 HydrophobicContact CG1-CZ 4.42Å; V687-F691 HydrophobicContact CG2-CD2 3.9Å; V687-F691 HydrophobicContact CG2-CE2 4Å; V687-F691 HydrophobicContact CG2-CG 4.38Å; V687-F691 WeakPolarHBondContact O-CB 3.5Å; V687-F691 PolarHBondContact O-N 2.77Å
688	S	94.1	Very high	95.3	Very high	18 Å²	18	17.4 Å²	17.4	13%	0.126	10%	0.096	C	C	.	.	H	α-helix	trans	-54.4	-42.6	-174.3	-170.9	0	0	0	0	112.9	V682 I684 G692	V682-S688 WeakPolarHBondContact O-CA 3.46Å; V682-S688 WeakPolarHBondContact O-CB 3.31Å; V682-S688 PolarHBondContact O-OG 3.4Å; I684-S688 WeakPolarHBondContact O-CB 3.36Å; I684-S688 PolarHBondContact O-N 3.15Å; S688-G692 WeakPolarHBondContact O-CA 3.29Å; S688-G692 PolarHBondContact O-N 3.49Å
689	V	94.3	Very high	95.2	Very high	39 Å²	39	17.4 Å²	17.4	24%	0.236	10%	0.095	C	C	.	.	H	α-helix	trans	-69.4	-52.8	176.1	178.6	0	0	0	0	110.6	F137 L140 V145 V687 F691 G692 V693	F137-V689 HydrophobicContact CD1-CG1 4.32Å; L140-V689 HydrophobicContact CD1-CG1 3.83Å; L140-V689 HydrophobicContact CD1-CG2 3.8Å; V145-V689 HydrophobicContact CG2-CG1 3.97Å; V687-V689 VanDerWaalsContact C-N 3.28Å; V687-V689 PolarHBondContact O-N 3.37Å; V689-F691 PolarHBondContact O-N 2.76Å; V689-G692 PolarHBondContact O-N 3.29Å; V689-V693 WeakPolarHBondContact O-CG2 3.38Å; V689-V693 PolarHBondContact O-N 3.41Å
690	Q	96.4	Very high	94.9	Very high	16 Å²	16	15.3 Å²	15.3	8%	0.075	9%	0.087	C	C	.	.	H	α-helix	trans	-57.3	-52.7	-176.8	-175.9	179.3	32	0	0	112.3	L646 L652 V687 G692 V693 I694	L646-Q690 PolarHBondContact O-NE2 2.89Å; L646-Q690 PolarHBondContact O-OE1 2.76Å; L652-Q690 HydrophobicContact CD2-CB 3.92Å; L652-Q690 HydrophobicContact CD2-CG 3.8Å; V687-Q690 PolarHBondContact O-N 3.47Å; V687-Q690 VanDerWaalsContact O-N 3.13Å; Q690-G692 VanDerWaalsContact C-N 3.35Å; Q690-V693 VanDerWaalsContact O-CG2 3.22Å; Q690-V693 WeakPolarHBondContact O-CG2 3.37Å; Q690-I694 HydrophobicContact CG-CD1 4.3Å; Q690-I694 VanDerWaalsContact O-CG1 3.31Å; Q690-I694 WeakPolarHBondContact O-CG1 3.32Å; Q690-I694 PolarHBondContact O-N 3.23Å
691	F	97.9	Very high	94.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-70.8	-34.6	180	-71.2	4.2	0	0	0	111.2	V643 L646 K647 L678 E681 V687 V689 I694 L695	V643-F691 HydrophobicContact CG1-CE2 4.44Å; V643-F691 HydrophobicContact CG1-CZ 4.17Å; L646-F691 HydrophobicContact CB-CE1 4.04Å; L646-F691 HydrophobicContact CD1-CE1 4.39Å; K647-F691 HydrophobicContact CG-CE1 4.43Å; K647-F691 HydrophobicContact CG-CZ 3.97Å; L678-F691 HydrophobicContact CB-CB 4.36Å; L678-F691 HydrophobicContact CB-CD2 4.47Å; L678-F691 HydrophobicContact CB-CG 4.49Å; L678-F691 HydrophobicContact CD2-CB 3.98Å; L678-F691 HydrophobicContact CD2-CD1 3.52Å; L678-F691 HydrophobicContact CD2-CD2 3.84Å; L678-F691 HydrophobicContact CD2-CE1 3.87Å; L678-F691 HydrophobicContact CD2-CE2 4.16Å; L678-F691 HydrophobicContact CD2-CG 3.5Å; L678-F691 HydrophobicContact CD2-CZ 4.17Å; E681-F691 HydrophobicContact CB-CD2 4.02Å; E681-F691 HydrophobicContact CB-CE2 3.85Å; V687-F691 HydrophobicContact CB-CD1 4.26Å; V687-F691 HydrophobicContact CB-CD2 4.11Å; V687-F691 HydrophobicContact CB-CE1 4.33Å; V687-F691 HydrophobicContact CB-CE2 4.19Å; V687-F691 HydrophobicContact CB-CG 4.16Å; V687-F691 HydrophobicContact CB-CZ 4.31Å; V687-F691 HydrophobicContact CG1-CZ 4.42Å; V687-F691 HydrophobicContact CG2-CD2 3.9Å; V687-F691 HydrophobicContact CG2-CE2 4Å; V687-F691 HydrophobicContact CG2-CG 4.38Å; V687-F691 WeakPolarHBondContact O-CB 3.5Å; V687-F691 PolarHBondContact O-N 2.77Å; V689-F691 PolarHBondContact O-N 2.76Å; F691-I694 PolarHBondContact O-N 2.88Å; F691-L695 WeakPolarHBondContact O-CB 3.11Å; F691-L695 VanDerWaalsContact O-CG 3.27Å; F691-L695 WeakPolarHBondContact O-CG 3.46Å; F691-L695 PolarHBondContact O-N 3.46Å
692	G	97.1	Very high	94.5	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-60	-45.2	175.6	0	0	0	0	0	113.3	S688 V689 Q690 L695 E696	S688-G692 WeakPolarHBondContact O-CA 3.29Å; S688-G692 PolarHBondContact O-N 3.49Å; V689-G692 PolarHBondContact O-N 3.29Å; Q690-G692 VanDerWaalsContact C-N 3.35Å; G692-L695 PolarHBondContact O-N 3.48Å; G692-E696 PolarHBondContact O-N 3.35Å
693	V	97.3	Very high	94.2	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.012	10%	0.097	C	C	.	.	H	α-helix	trans	-72.9	-30.1	179	-62.9	0	0	0	0	113.2	F137 V145 F148 R149 L652 V689 Q690 A697	F137-V693 HydrophobicContact CD1-CG1 3.98Å; F137-V693 HydrophobicContact CD2-CG1 4.19Å; F137-V693 HydrophobicContact CE1-CG1 4.09Å; F137-V693 HydrophobicContact CE2-CG1 4.28Å; F137-V693 HydrophobicContact CG-CG1 4.05Å; F137-V693 HydrophobicContact CZ-CG1 4.25Å; V145-V693 HydrophobicContact CG1-CG1 4.21Å; F148-V693 HydrophobicContact CD1-CB 3.91Å; F148-V693 HydrophobicContact CD1-CG2 3.56Å; F148-V693 HydrophobicContact CE1-CB 3.87Å; F148-V693 HydrophobicContact CE1-CG2 3.42Å; F148-V693 VanDerWaalsContact CE1-CG2 3.42Å; F148-V693 HydrophobicContact CZ-CG2 4.48Å; R149-V693 HydrophobicContact CG-CB 4.28Å; R149-V693 HydrophobicContact CG-CG1 3.89Å; L652-V693 HydrophobicContact CD1-CG2 4.39Å; L652-V693 HydrophobicContact CD2-CG2 4.32Å; V689-V693 WeakPolarHBondContact O-CG2 3.38Å; V689-V693 PolarHBondContact O-N 3.41Å; Q690-V693 VanDerWaalsContact O-CG2 3.22Å; Q690-V693 WeakPolarHBondContact O-CG2 3.37Å; V693-A697 PolarHBondContact O-N 2.92Å; V693-A697 VanDerWaalsContact O-N 3.09Å
694	I	98.4	Very high	94	Very high	4 Å²	4	13 Å²	13	2%	0.021	8%	0.083	C	C	.	.	H	α-helix	trans	-70	-43.5	173	-64.6	168.6	0	0	0	110.1	F148 L646 L661 L678 Q690 F691 E696 A697 Y698	F148-I694 HydrophobicContact CE1-CG1 4.35Å; F148-I694 HydrophobicContact CZ-CG1 4.06Å; L646-I694 HydrophobicContact CD1-CD1 3.88Å; L661-I694 HydrophobicContact CD1-CG2 4.37Å; L661-I694 HydrophobicContact CD2-CG2 3.97Å; L661-I694 HydrophobicContact CG-CG2 4.14Å; L678-I694 HydrophobicContact CD1-CB 4.22Å; L678-I694 HydrophobicContact CD1-CG2 3.58Å; Q690-I694 HydrophobicContact CG-CD1 4.3Å; Q690-I694 VanDerWaalsContact O-CG1 3.31Å; Q690-I694 WeakPolarHBondContact O-CG1 3.32Å; Q690-I694 PolarHBondContact O-N 3.23Å; F691-I694 PolarHBondContact O-N 2.88Å; I694-E696 VanDerWaalsContact C-N 3.32Å; I694-E696 PolarHBondContact O-N 3.23Å; I694-A697 WeakPolarHBondContact O-CB 3.49Å; I694-A697 PolarHBondContact O-N 2.95Å; I694-Y698 PolarHBondContact O-N 2.85Å
695	L	98.3	Very high	94	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60.5	-41.9	173.7	-77.2	167.8	0	0	0	111.4	I130 F675 L678 R679 V682 F691 G692 A697 Y698 C699	I130-L695 HydrophobicContact CD1-CB 3.75Å; I130-L695 HydrophobicContact CG1-CB 3.83Å; I130-L695 HydrophobicContact CG2-CB 4.41Å; I130-L695 HydrophobicContact CG2-CD1 4Å; F675-L695 HydrophobicContact CB-CD2 4.45Å; F675-L695 HydrophobicContact CD2-CD2 3.51Å; F675-L695 HydrophobicContact CE2-CD2 4Å; F675-L695 HydrophobicContact CG-CD2 4.19Å; L678-L695 HydrophobicContact CB-CD1 4Å; L678-L695 HydrophobicContact CB-CD2 3.8Å; L678-L695 HydrophobicContact CB-CG 3.76Å; L678-L695 HydrophobicContact CD1-CD2 4.09Å; L678-L695 HydrophobicContact CD1-CG 4.08Å; R679-L695 HydrophobicContact CB-CD1 4.42Å; V682-L695 HydrophobicContact CB-CD1 4.48Å; V682-L695 HydrophobicContact CG2-CD1 4.46Å; F691-L695 WeakPolarHBondContact O-CB 3.11Å; F691-L695 VanDerWaalsContact O-CG 3.27Å; F691-L695 WeakPolarHBondContact O-CG 3.46Å; F691-L695 PolarHBondContact O-N 3.46Å; G692-L695 PolarHBondContact O-N 3.48Å; L695-A697 PolarHBondContact O-N 3.38Å; L695-Y698 PolarHBondContact O-N 3.01Å; L695-C699 WeakPolarHBondContact O-CB 3.33Å; L695-C699 PolarHBondContact O-N 3.02Å; L695-C699 PolarHBondContact O-SG 2.73Å
696	E	96.1	Very high	94.1	Very high	4 Å²	4	10 Å²	10	2%	0.019	7%	0.065	C	C	.	.	H	α-helix	trans	-57.2	-49.8	173.9	179.5	-172.5	176.2	0	0	110.7	I126 I130 L134 R149 R153 G692 I694 Y698 C699 R700	I126-E696 HydrophobicContact CG2-CB 4.36Å; I126-E696 HydrophobicContact CG2-CG 4.2Å; I130-E696 HydrophobicContact CD1-CB 4.11Å; L134-E696 HydrophobicContact CD1-CG 4.32Å; L134-E696 HydrophobicContact CD2-CB 4.23Å; L134-E696 HydrophobicContact CD2-CG 3.97Å; R149-E696 IonicContact CZ-OE1 3.09Å; R149-E696 IonicContact CZ-OE2 3.05Å; R149-E696 IonicContact NE-OE1 3.45Å; R149-E696 IonicContact NE-OE2 3.44Å; R149-E696 PolarHBondContact NE-OE2 3.32Å; R149-E696 IonicContact NH2-OE1 3.31Å; R149-E696 PolarHBondContact NH2-OE1 3.34Å; R149-E696 IonicContact NH2-OE2 3.84Å; R149-E696 PolarHBondContact NH2-OE2 3.39Å; R149-E696 VanDerWaalsContact NH2-OE2 3.12Å; R153-E696 IonicContact NH2-OE1 3.16Å; G692-E696 PolarHBondContact O-N 3.35Å; I694-E696 VanDerWaalsContact C-N 3.32Å; I694-E696 PolarHBondContact O-N 3.23Å; E696-Y698 VanDerWaalsContact C-N 3.34Å; E696-Y698 PolarHBondContact O-N 3.47Å; E696-C699 PolarHBondContact O-N 2.97Å; E696-R700 HydrophobicContact CG-CG 4.45Å; E696-R700 WeakPolarHBondContact O-CB 3.03Å; E696-R700 VanDerWaalsContact O-CG 3.28Å; E696-R700 WeakPolarHBondContact O-CG 3.22Å; E696-R700 PolarHBondContact O-N 2.87Å; E696-R700 IonicContact OE1-CZ 3.13Å; E696-R700 VanDerWaalsContact OE1-CZ 3.29Å; E696-R700 IonicContact OE1-NE 2.73Å; E696-R700 PolarHBondContact OE1-NE 2.97Å; E696-R700 IonicContact OE1-NH2 2.72Å; E696-R700 PolarHBondContact OE1-NH2 3.13Å
697	A	96.2	Very high	94.1	Very high	4 Å²	4	15.6 Å²	15.6	3%	0.033	8%	0.084	C	C	.	.	H	α-helix	trans	-58.9	-44.7	179.1	0	0	0	0	0	112.3	M152 S156 L661 V693 I694 L695 G701	M152-A697 HydrophobicContact CB-CB 3.71Å; M152-A697 HydrophobicContact CG-CB 4.41Å; S156-A697 PolarHBondContact OG-O 3.21Å; L661-A697 HydrophobicContact CD1-CB 3.95Å; L661-A697 HydrophobicContact CD2-CB 4.13Å; V693-A697 PolarHBondContact O-N 2.92Å; V693-A697 VanDerWaalsContact O-N 3.09Å; I694-A697 WeakPolarHBondContact O-CB 3.49Å; I694-A697 PolarHBondContact O-N 2.95Å; L695-A697 PolarHBondContact O-N 3.38Å; A697-G701 PolarHBondContact O-N 3.47Å
698	Y	97.3	Very high	94	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.008	9%	0.092	C	C	.	.	H	α-helix	trans	-63.7	-48.7	177.5	171.8	-104.6	0	0	0	112.3	A664 L665 G671 F675 I694 L695 E696 R700 G701 S702 H705 L709	A664-Y698 HydrophobicContact CB-CD2 4Å; A664-Y698 HydrophobicContact CB-CE2 4.02Å; L665-Y698 HydrophobicContact CD2-CD2 3.96Å; L665-Y698 HydrophobicContact CD2-CE2 4.38Å; G671-Y698 VanDerWaalsContact CA-OH 3.27Å; G671-Y698 WeakPolarHBondContact CA-OH 3.26Å; G671-Y698 PolarHBondContact O-OH 3.46Å; F675-Y698 HydrophobicContact CB-CD1 4.29Å; F675-Y698 HydrophobicContact CB-CE1 3.88Å; F675-Y698 HydrophobicContact CD2-CD1 4.29Å; F675-Y698 HydrophobicContact CD2-CE1 4.27Å; F675-Y698 HydrophobicContact CG-CE1 4.46Å; I694-Y698 PolarHBondContact O-N 2.85Å; L695-Y698 PolarHBondContact O-N 3.01Å; E696-Y698 VanDerWaalsContact C-N 3.34Å; E696-Y698 PolarHBondContact O-N 3.47Å; Y698-R700 VanDerWaalsContact C-N 3.32Å; Y698-R700 PolarHBondContact O-N 3.38Å; Y698-G701 CarbonylContact O-C 3.55Å; Y698-G701 PolarHBondContact O-N 3.33Å; Y698-G701 VanDerWaalsContact O-N 3.1Å; Y698-S702 WeakPolarHBondContact CE2-OG 3.4Å; Y698-S702 VanDerWaalsContact O-CB 3.25Å; Y698-S702 WeakPolarHBondContact O-CB 3.28Å; Y698-S702 PolarHBondContact O-N 3.39Å; Y698-S702 PolarHBondContact O-OG 3.4Å; Y698-H705 AromaticContact CZ-ND1 4Å; Y698-H705 PolarHBondContact OH-CE1 2.86Å; Y698-H705 VanDerWaalsContact OH-CE1 3.3Å; Y698-H705 PolarHBondContact OH-ND1 2.92Å; Y698-L709 HydrophobicContact CE1-CD1 3.86Å
699	C	94.9	Very high	94.2	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.3	-41.6	179.1	-68.3	0	0	0	0	111.3	I126 L695 E696 G701 S702 M706	I126-C699 HydrophobicContact CD1-CB 4.4Å; I126-C699 HydrophobicContact CG1-CB 3.9Å; I126-C699 HydrophobicContact CG2-CB 4.06Å; L695-C699 WeakPolarHBondContact O-CB 3.33Å; L695-C699 PolarHBondContact O-N 3.02Å; L695-C699 PolarHBondContact O-SG 2.73Å; E696-C699 PolarHBondContact O-N 2.97Å; C699-G701 VanDerWaalsContact C-N 3.32Å; C699-G701 PolarHBondContact O-N 3.02Å; C699-S702 CarbonylContact O-C 3.47Å; C699-S702 PolarHBondContact O-N 3.33Å; C699-S702 VanDerWaalsContact O-N 3.14Å; C699-M706 HydrophobicContact CB-CG 4.2Å; C699-M706 HydrophobicContact CB-SD 3.98Å
700	R	90.9	Very high	94.1	Very high	7 Å²	7	16.9 Å²	16.9	3%	0.026	9%	0.094	C	C	.	.	H	α-helix	trans	-57.8	-45.6	173.3	-73.2	-176.7	-174.3	-70.4	3.1	111.2	D123 I126 I160 E696 Y698 S702 V703	D123-R700 VanDerWaalsContact CG-NH2 3.25Å; D123-R700 IonicContact OD1-CZ 2.8Å; D123-R700 IonicContact OD1-NH1 3.12Å; D123-R700 PolarHBondContact OD1-NH1 3.19Å; D123-R700 IonicContact OD1-NH2 2.71Å; D123-R700 PolarHBondContact OD1-NH2 3.32Å; D123-R700 IonicContact OD2-NH2 2.8Å; D123-R700 PolarHBondContact OD2-NH2 2.66Å; D123-R700 VanDerWaalsContact OD2-NH2 3.16Å; I126-R700 HydrophobicContact CD1-CG 3.48Å; I126-R700 VanDerWaalsContact CD1-CG 3.48Å; I160-R700 WeakPolarHBondContact CD1-O 3.39Å; E696-R700 HydrophobicContact CG-CG 4.45Å; E696-R700 WeakPolarHBondContact O-CB 3.03Å; E696-R700 VanDerWaalsContact O-CG 3.28Å; E696-R700 WeakPolarHBondContact O-CG 3.22Å; E696-R700 PolarHBondContact O-N 2.87Å; E696-R700 IonicContact OE1-CZ 3.13Å; E696-R700 VanDerWaalsContact OE1-CZ 3.29Å; E696-R700 IonicContact OE1-NE 2.73Å; E696-R700 PolarHBondContact OE1-NE 2.97Å; E696-R700 IonicContact OE1-NH2 2.72Å; E696-R700 PolarHBondContact OE1-NH2 3.13Å; Y698-R700 VanDerWaalsContact C-N 3.32Å; Y698-R700 PolarHBondContact O-N 3.38Å; R700-S702 PolarHBondContact O-N 3.48Å; R700-V703 WeakPolarHBondContact O-CG2 3.5Å
701	G	91.4	Very high	94	Very high	6 Å²	6	19.3 Å²	19.3	6%	0.062	10%	0.104	C	C	.	.	H	α-helix	trans	-73	-11.1	179	0	0	0	0	0	115.2	A697 Y698 C699	A697-G701 PolarHBondContact O-N 3.47Å; Y698-G701 CarbonylContact O-C 3.55Å; Y698-G701 PolarHBondContact O-N 3.33Å; Y698-G701 VanDerWaalsContact O-N 3.1Å; C699-G701 VanDerWaalsContact C-N 3.32Å; C699-G701 PolarHBondContact O-N 3.02Å
702	S	92	Very high	93.9	Very high	16 Å²	16	19.3 Å²	19.3	11%	0.112	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.6	40.7	-169.3	-50.5	0	0	0	0	112.8	L665 Y698 C699 R700 G704 H705 M706	L665-S702 WeakPolarHBondContact CD2-OG 3.11Å; Y698-S702 WeakPolarHBondContact CE2-OG 3.4Å; Y698-S702 VanDerWaalsContact O-CB 3.25Å; Y698-S702 WeakPolarHBondContact O-CB 3.28Å; Y698-S702 PolarHBondContact O-N 3.39Å; Y698-S702 PolarHBondContact O-OG 3.4Å; C699-S702 CarbonylContact O-C 3.47Å; C699-S702 PolarHBondContact O-N 3.33Å; C699-S702 VanDerWaalsContact O-N 3.14Å; R700-S702 PolarHBondContact O-N 3.48Å; S702-G704 PolarHBondContact O-N 3.26Å; S702-G704 VanDerWaalsContact O-N 3.14Å; S702-H705 PolarHBondContact O-N 2.98Å; S702-M706 PolarHBondContact O-N 3.49Å
703	V	88.6	Confident	93.9	Very high	20 Å²	20	20.2 Å²	20.2	12%	0.121	11%	0.109	C	C	.	.	H	α-helix	trans	-50.5	-41.6	-174.4	179.7	0	0	0	0	113	I160 I300 A303 R700	I160-V703 HydrophobicContact CD1-CG2 4.44Å; I300-V703 HydrophobicContact CG1-CB 4.42Å; A303-V703 HydrophobicContact CB-CG1 4.44Å; A303-V703 HydrophobicContact CB-CG2 4.2Å; R700-V703 WeakPolarHBondContact O-CG2 3.5Å
704	G	85.8	Confident	93.5	Very high	11 Å²	11	23.2 Å²	23.2	11%	0.113	12%	0.123	C	C	.	.	H	α-helix	trans	-67.2	-38.5	177.8	0	0	0	0	0	113.9	E296 S702	E296-G704 WeakPolarHBondContact OE1-CA 3.27Å; S702-G704 PolarHBondContact O-N 3.26Å; S702-G704 VanDerWaalsContact O-N 3.14Å
705	H	91.6	Very high	93.4	Very high	9 Å²	9	23.3 Å²	23.3	4%	0.042	13%	0.125	C	C	.	.	H	α-helix	trans	-73.8	-26.2	179.7	-170	-162.3	0	0	0	112.9	Y698 S702 K707 V708 L709	Y698-H705 AromaticContact CZ-ND1 4Å; Y698-H705 PolarHBondContact OH-CE1 2.86Å; Y698-H705 VanDerWaalsContact OH-CE1 3.3Å; Y698-H705 PolarHBondContact OH-ND1 2.92Å; S702-H705 PolarHBondContact O-N 2.98Å; H705-K707 PolarHBondContact O-N 2.96Å; H705-K707 VanDerWaalsContact O-N 3.08Å; H705-V708 PolarHBondContact O-N 3.47Å; H705-L709 PolarHBondContact O-N 3.48Å
706	M	92.4	Very high	93.2	Very high	16 Å²	16	24 Å²	24	8%	0.079	13%	0.128	C	C	.	.	H	α-helix	trans	-53.1	-33.6	178.7	-74.2	179.5	60	0	0	113.4	L122 K125 I126 L129 C699 S702 V708 L709 S710	L122-M706 HydrophobicContact CD1-CE 4.25Å; L122-M706 HydrophobicContact CD1-SD 4.07Å; K125-M706 HydrophobicContact CB-CE 3.93Å; I126-M706 HydrophobicContact CG1-CE 3.66Å; I126-M706 HydrophobicContact CG1-SD 4.09Å; L129-M706 HydrophobicContact CD2-CB 4.24Å; L129-M706 HydrophobicContact CD2-CE 4.31Å; L129-M706 HydrophobicContact CD2-CG 4.1Å; C699-M706 HydrophobicContact CB-CG 4.2Å; C699-M706 HydrophobicContact CB-SD 3.98Å; S702-M706 PolarHBondContact O-N 3.49Å; M706-V708 VanDerWaalsContact C-N 3.35Å; M706-V708 PolarHBondContact O-N 3.24Å; M706-L709 PolarHBondContact O-N 3.42Å; M706-S710 VanDerWaalsContact O-CB 3.3Å; M706-S710 WeakPolarHBondContact O-CB 3.32Å; M706-S710 PolarHBondContact O-N 3Å
707	K	90.1	Very high	92.9	Very high	145 Å²	145	27.6 Å²	27.6	63%	0.63	15%	0.148	S	C	*	.	H	α-helix	trans	-60.8	-43.5	177.9	-66.6	-178.5	-179.6	176.2	0	112	H705 K711	H705-K707 PolarHBondContact O-N 2.96Å; H705-K707 VanDerWaalsContact O-N 3.08Å; K707-K711 PolarHBondContact O-N 3.01Å
708	V	93.8	Very high	92.5	Very high	36 Å²	36	28.4 Å²	28.4	22%	0.218	15%	0.15	C	C	.	.	H	α-helix	trans	-67.4	-46.9	178.7	179.5	0	0	0	0	110.3	H705 M706 S710 K711 Q712 Q759	H705-V708 PolarHBondContact O-N 3.47Å; M706-V708 VanDerWaalsContact C-N 3.35Å; M706-V708 PolarHBondContact O-N 3.24Å; V708-S710 VanDerWaalsContact C-N 3.31Å; V708-S710 PolarHBondContact O-N 3.09Å; V708-K711 PolarHBondContact O-N 2.7Å; V708-Q712 WeakPolarHBondContact O-CG 3.3Å; V708-Q712 PolarHBondContact O-N 3.08Å; V708-Q759 HydrophobicContact CG1-CB 3.93Å; V708-Q759 HydrophobicContact CG1-CG 4.23Å
709	L	96.7	Very high	92.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.4	-40.3	178.7	-63.1	173.5	0	0	0	111.7	L129 Q672 F675 Y698 H705 M706 Q712 V713	L129-L709 HydrophobicContact CD1-CB 4.01Å; L129-L709 HydrophobicContact CD2-CB 4.1Å; L129-L709 HydrophobicContact CD2-CD1 4.5Å; Q672-L709 HydrophobicContact CG-CD2 4.36Å; F675-L709 HydrophobicContact CB-CD1 4.4Å; F675-L709 HydrophobicContact CD1-CD1 4.29Å; F675-L709 HydrophobicContact CD1-CD2 3.82Å; F675-L709 HydrophobicContact CD2-CD1 3.93Å; F675-L709 HydrophobicContact CE1-CB 4.41Å; F675-L709 HydrophobicContact CE1-CD2 4.23Å; F675-L709 HydrophobicContact CE2-CD1 4.28Å; F675-L709 HydrophobicContact CG-CD1 3.94Å; F675-L709 HydrophobicContact CG-CD2 4.18Å; F675-L709 HydrophobicContact CZ-CB 4.46Å; Y698-L709 HydrophobicContact CE1-CD1 3.86Å; H705-L709 PolarHBondContact O-N 3.48Å; M706-L709 PolarHBondContact O-N 3.42Å; L709-Q712 WeakPolarHBondContact O-CB 3.38Å; L709-Q712 PolarHBondContact O-N 3.39Å; L709-V713 WeakPolarHBondContact O-CG2 3.39Å; L709-V713 PolarHBondContact O-N 3.26Å
710	S	93.6	Very high	92.1	Very high	57 Å²	57	33 Å²	33	40%	0.399	17%	0.171	S	C	.	.	H	α-helix	trans	-61.1	-45.3	176.2	-169.5	0	0	0	0	111.8	M706 V708 Q712 V713 E714	M706-S710 VanDerWaalsContact O-CB 3.3Å; M706-S710 WeakPolarHBondContact O-CB 3.32Å; M706-S710 PolarHBondContact O-N 3Å; V708-S710 VanDerWaalsContact C-N 3.31Å; V708-S710 PolarHBondContact O-N 3.09Å; S710-Q712 VanDerWaalsContact C-N 3.31Å; S710-Q712 PolarHBondContact O-N 3.33Å; S710-V713 PolarHBondContact O-N 3.08Å; S710-E714 WeakPolarHBondContact O-CB 3.49Å; S710-E714 PolarHBondContact O-N 3.35Å
711	K	93.7	Very high	91.9	Very high	66 Å²	66	33.8 Å²	33.8	29%	0.287	18%	0.176	S	C	.	.	H	α-helix	trans	-62.6	-38.5	176.9	-168	172.2	-175.5	-178.9	0	111.9	K707 V708 A715 S756 D757 L758	K707-K711 PolarHBondContact O-N 3.01Å; V708-K711 PolarHBondContact O-N 2.7Å; K711-A715 WeakPolarHBondContact O-CB 3.44Å; K711-A715 PolarHBondContact O-N 2.97Å; K711-S756 VanDerWaalsContact CE-O 3.31Å; K711-S756 WeakPolarHBondContact CE-O 3.43Å; K711-S756 PolarHBondContact NZ-O 3.38Å; K711-D757 PolarHBondContact NZ-O 2.97Å; K711-L758 HydrophobicContact CD-CB 3.89Å; K711-L758 HydrophobicContact CG-CB 4.07Å
712	Q	96.9	Very high	91.7	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-65.3	-43.6	174.7	-69.8	174.7	-4.9	0	0	112.5	W676 V708 L709 S710 E714 A715 L716 Q759 P761	W676-Q712 HydrophobicContact CZ2-CB 3.75Å; V708-Q712 WeakPolarHBondContact O-CG 3.3Å; V708-Q712 PolarHBondContact O-N 3.08Å; L709-Q712 WeakPolarHBondContact O-CB 3.38Å; L709-Q712 PolarHBondContact O-N 3.39Å; S710-Q712 VanDerWaalsContact C-N 3.31Å; S710-Q712 PolarHBondContact O-N 3.33Å; Q712-E714 VanDerWaalsContact C-N 3.35Å; Q712-A715 PolarHBondContact O-N 3.02Å; Q712-L716 WeakPolarHBondContact O-CG 3.3Å; Q712-L716 PolarHBondContact O-N 3.33Å; Q712-Q759 WeakPolarHBondContact CG-O 3.35Å; Q712-Q759 PolarHBondContact NE2-O 3.44Å; Q712-P761 HydrophobicContact CB-CG 4.08Å; Q712-P761 HydrophobicContact CG-CG 3.94Å
713	V	95.1	Very high	91.7	Very high	18 Å²	18	32.7 Å²	32.7	11%	0.109	17%	0.168	C	C	.	.	H	α-helix	trans	-62.5	-42.9	177	169	0	0	0	0	110.9	L129 F675 W676 L709 S710 L716 N717	L129-V713 HydrophobicContact CD1-CB 4.45Å; L129-V713 HydrophobicContact CD1-CG2 3.92Å; F675-V713 HydrophobicContact CE1-CG2 4.4Å; F675-V713 HydrophobicContact CZ-CG2 4.38Å; W676-V713 HydrophobicContact CH2-CG2 3.63Å; W676-V713 HydrophobicContact CZ2-CG2 4.27Å; W676-V713 HydrophobicContact CZ3-CG2 4.43Å; L709-V713 WeakPolarHBondContact O-CG2 3.39Å; L709-V713 PolarHBondContact O-N 3.26Å; S710-V713 PolarHBondContact O-N 3.08Å; V713-L716 PolarHBondContact O-N 2.87Å; V713-N717 VanDerWaalsContact O-CG 3.31Å; V713-N717 PolarHBondContact O-N 2.77Å; V713-N717 PolarHBondContact O-ND2 3.08Å
714	E	90.8	Very high	91.6	Very high	66 Å²	66	34 Å²	34	31%	0.308	18%	0.177	S	C	.	.	H	α-helix	trans	-59.8	-49.1	175.1	-174.4	-177.8	176.7	0	0	111.9	S710 Q712 L716 N717 K718 A754	S710-E714 WeakPolarHBondContact O-CB 3.49Å; S710-E714 PolarHBondContact O-N 3.35Å; Q712-E714 VanDerWaalsContact C-N 3.35Å; E714-L716 VanDerWaalsContact C-N 3.33Å; E714-L716 PolarHBondContact O-N 2.81Å; E714-N717 WeakPolarHBondContact O-CB 3.36Å; E714-N717 PolarHBondContact O-N 3.38Å; E714-N717 VanDerWaalsContact O-N 3.17Å; E714-K718 PolarHBondContact O-N 2.94Å; E714-A754 HydrophobicContact CG-CB 4.27Å
715	A	94.9	Very high	91.5	Very high	6 Å²	6	35.1 Å²	35.1	5%	0.05	18%	0.181	C	C	.	.	H	α-helix	trans	-56.8	-46.2	176.8	0	0	0	0	0	111.9	K711 Q712 N717 K718 L719 A754 L755 L758	K711-A715 WeakPolarHBondContact O-CB 3.44Å; K711-A715 PolarHBondContact O-N 2.97Å; Q712-A715 PolarHBondContact O-N 3.02Å; A715-N717 VanDerWaalsContact C-N 3.34Å; A715-N717 PolarHBondContact O-N 2.86Å; A715-K718 PolarHBondContact O-N 2.75Å; A715-L719 WeakPolarHBondContact O-CG 3.48Å; A715-L719 PolarHBondContact O-N 3.16Å; A715-A754 WeakPolarHBondContact CB-O 3.34Å; A715-L755 HydrophobicContact CB-CD2 3.89Å; A715-L755 WeakPolarHBondContact O-CD2 3.3Å; A715-L758 HydrophobicContact CB-CD1 3.59Å
716	L	95	Very high	91.2	Very high	13 Å²	13	34.7 Å²	34.7	7%	0.068	18%	0.179	C	C	.	.	H	α-helix	trans	-64.2	-37.3	178.1	-76.6	165.3	0	0	0	112.8	W676 Q712 V713 E714 L719 K720 F804 T844 L850	W676-L716 HydrophobicContact CH2-CD1 3.23Å; W676-L716 HydrophobicContact CZ2-CD1 3.88Å; W676-L716 HydrophobicContact CZ3-CD1 3.64Å; Q712-L716 WeakPolarHBondContact O-CG 3.3Å; Q712-L716 PolarHBondContact O-N 3.33Å; V713-L716 PolarHBondContact O-N 2.87Å; E714-L716 VanDerWaalsContact C-N 3.33Å; E714-L716 PolarHBondContact O-N 2.81Å; L716-L719 PolarHBondContact O-N 3.49Å; L716-K720 WeakPolarHBondContact O-CB 3.44Å; L716-K720 PolarHBondContact O-N 3.43Å; L716-F804 HydrophobicContact CD2-CD2 3.95Å; L716-F804 HydrophobicContact CD2-CE2 3.86Å; L716-T844 HydrophobicContact CD1-CG2 3.87Å; L716-T844 HydrophobicContact CD2-CG2 4.41Å; L716-L850 HydrophobicContact CD2-CD1 4.12Å; L716-L850 HydrophobicContact CD2-CD2 3.95Å; L716-L850 HydrophobicContact CD2-CG 4.05Å
717	N	88.9	Confident	90.9	Very high	80 Å²	80	36.1 Å²	36.1	43%	0.428	19%	0.185	S	C	.	.	H	α-helix	trans	-63.8	-41.8	174.9	-75	-28	0	0	0	111.5	V713 E714 A715 K720 T721	V713-N717 VanDerWaalsContact O-CG 3.31Å; V713-N717 PolarHBondContact O-N 2.77Å; V713-N717 PolarHBondContact O-ND2 3.08Å; E714-N717 WeakPolarHBondContact O-CB 3.36Å; E714-N717 PolarHBondContact O-N 3.38Å; E714-N717 VanDerWaalsContact O-N 3.17Å; A715-N717 VanDerWaalsContact C-N 3.34Å; A715-N717 PolarHBondContact O-N 2.86Å; N717-K720 WeakPolarHBondContact O-CB 3.3Å; N717-K720 PolarHBondContact O-N 2.85Å; N717-T721 PolarHBondContact O-N 3.32Å; N717-T721 PolarHBondContact O-OG1 3.32Å
718	K	88.4	Confident	90.5	Very high	21 Å²	21	33 Å²	33	9%	0.091	17%	0.174	C	C	.	.	H	α-helix	trans	-62.8	-41.4	173	-71.5	-64.4	-172.2	-179.3	0	112.4	D101 E714 A715 K720 T721 L722 Y751 A754 L755	D101-K718 WeakPolarHBondContact OD1-CE 3.39Å; D101-K718 IonicContact OD1-NZ 3.61Å; D101-K718 PolarHBondContact OD1-NZ 3.48Å; E714-K718 PolarHBondContact O-N 2.94Å; A715-K718 PolarHBondContact O-N 2.75Å; K718-K720 VanDerWaalsContact C-N 3.3Å; K718-K720 PolarHBondContact O-N 2.99Å; K718-T721 PolarHBondContact O-N 3.09Å; K718-T721 PolarHBondContact O-OG1 3.4Å; K718-L722 WeakPolarHBondContact O-CB 3.43Å; K718-L722 PolarHBondContact O-N 2.91Å; K718-Y751 HydrophobicContact CB-CD1 4.06Å; K718-Y751 HydrophobicContact CB-CE1 3.9Å; K718-Y751 HydrophobicContact CD-CD1 4.3Å; K718-Y751 HydrophobicContact CD-CE1 3.99Å; K718-Y751 HydrophobicContact CG-CE1 4.49Å; K718-Y751 WeakPolarHBondContact O-CE1 3.38Å; K718-A754 HydrophobicContact CG-CB 3.87Å; K718-L755 HydrophobicContact CB-CD2 4.19Å
719	L	94	Very high	89.9	Confident	8 Å²	8	32.7 Å²	32.7	4%	0.042	17%	0.172	C	C	.	.	H	α-helix	trans	-64.2	-36.4	175	-66.9	176.2	0	0	0	112.2	A715 L716 N723 L755 L786 L788 F804	A715-L719 WeakPolarHBondContact O-CG 3.48Å; A715-L719 PolarHBondContact O-N 3.16Å; L716-L719 PolarHBondContact O-N 3.49Å; L719-N723 VanDerWaalsContact O-CB 3.26Å; L719-N723 WeakPolarHBondContact O-CB 3.44Å; L719-N723 PolarHBondContact O-N 2.87Å; L719-L755 HydrophobicContact CD1-CD2 4.37Å; L719-L755 HydrophobicContact CD2-CD1 3.91Å; L719-L755 HydrophobicContact CD2-CD2 3.87Å; L719-L755 HydrophobicContact CG-CD2 3.78Å; L719-L786 HydrophobicContact CD2-CD1 4.09Å; L719-L788 HydrophobicContact CD1-CD1 3.75Å; L719-L788 HydrophobicContact CD2-CD1 3.48Å; L719-L788 VanDerWaalsContact CD2-CD1 3.48Å; L719-L788 HydrophobicContact CD2-CD2 4.17Å; L719-L788 HydrophobicContact CD2-CG 4.41Å; L719-L788 HydrophobicContact CG-CD1 4.27Å; L719-F804 VanDerWaalsContact C-CE1 3.44Å; L719-F804 HydrophobicContact CB-CB 4.4Å; L719-F804 HydrophobicContact CB-CD1 3.71Å; L719-F804 HydrophobicContact CB-CD2 3.95Å; L719-F804 HydrophobicContact CB-CE1 3.84Å; L719-F804 HydrophobicContact CB-CE2 4.09Å; L719-F804 HydrophobicContact CB-CG 3.75Å; L719-F804 HydrophobicContact CB-CZ 4.03Å; L719-F804 HydrophobicContact CD1-CB 4.01Å; L719-F804 HydrophobicContact CD1-CD2 4.08Å; L719-F804 HydrophobicContact CD1-CG 4.05Å; L719-F804 HydrophobicContact CG-CG 4.46Å; L719-F804 WeakPolarHBondContact O-CE1 3.49Å
720	K	90.2	Very high	89.1	Confident	92 Å²	92	34.4 Å²	34.4	40%	0.4	19%	0.186	S	C	.	.	H	α-helix	trans	-63.8	-47.1	175.6	-167.3	173.4	-178.4	175.7	0	111.6	L716 N717 K718 N723 S724 F804	L716-K720 WeakPolarHBondContact O-CB 3.44Å; L716-K720 PolarHBondContact O-N 3.43Å; N717-K720 WeakPolarHBondContact O-CB 3.3Å; N717-K720 PolarHBondContact O-N 2.85Å; K718-K720 VanDerWaalsContact C-N 3.3Å; K718-K720 PolarHBondContact O-N 2.99Å; K720-N723 PolarHBondContact O-N 2.92Å; K720-S724 PolarHBondContact O-N 2.74Å; K720-S724 PolarHBondContact O-OG 2.97Å; K720-F804 HydrophobicContact CB-CZ 4.1Å
721	T	85.8	Confident	88.3	Confident	22 Å²	22	37.7 Å²	37.7	14%	0.135	20%	0.203	C	C	.	.	H	α-helix	trans	-64.5	-43.9	177.4	53.5	0	0	0	0	111.9	N717 K718 N723 S724 L725 Y751	N717-T721 PolarHBondContact O-N 3.32Å; N717-T721 PolarHBondContact O-OG1 3.32Å; K718-T721 PolarHBondContact O-N 3.09Å; K718-T721 PolarHBondContact O-OG1 3.4Å; T721-N723 PolarHBondContact O-N 3.38Å; T721-S724 PolarHBondContact O-N 2.87Å; T721-L725 PolarHBondContact O-N 2.73Å; T721-Y751 PolarHBondContact OG1-OH 3.12Å; T721-Y751 VanDerWaalsContact OG1-OH 3.06Å
722	L	88.3	Confident	87.6	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.6	-45.5	175.5	178	59.3	0	0	0	111.5	K718 S724 L725 I726 M742 C745 L746 Y751 L786	K718-L722 WeakPolarHBondContact O-CB 3.43Å; K718-L722 PolarHBondContact O-N 2.91Å; L722-S724 VanDerWaalsContact C-N 3.34Å; L722-S724 PolarHBondContact O-N 2.85Å; L722-L725 WeakPolarHBondContact O-CB 3.46Å; L722-L725 PolarHBondContact O-N 3.12Å; L722-I726 HydrophobicContact CD1-CD1 4.47Å; L722-I726 HydrophobicContact CD1-CG1 4.19Å; L722-I726 HydrophobicContact CG-CG1 4.5Å; L722-I726 WeakPolarHBondContact O-CG1 3.44Å; L722-I726 PolarHBondContact O-N 2.78Å; L722-M742 HydrophobicContact CD1-CG 4.44Å; L722-C745 HydrophobicContact CD1-CB 4.06Å; L722-L746 HydrophobicContact CD2-CD2 3.58Å; L722-L746 HydrophobicContact CD2-CG 3.99Å; L722-Y751 HydrophobicContact CB-CE1 3.92Å; L722-L786 HydrophobicContact CB-CD1 4.21Å; L722-L786 HydrophobicContact CD2-CD1 3.89Å; L722-L786 HydrophobicContact CG-CD1 3.95Å
723	N	90.4	Very high	86.8	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.3	-40	178.7	-179	-101.3	0	0	0	112.3	L719 K720 T721 I726 K727 M783 K784 L786 F804	L719-N723 VanDerWaalsContact O-CB 3.26Å; L719-N723 WeakPolarHBondContact O-CB 3.44Å; L719-N723 PolarHBondContact O-N 2.87Å; K720-N723 PolarHBondContact O-N 2.92Å; T721-N723 PolarHBondContact O-N 3.38Å; N723-I726 PolarHBondContact O-N 3.41Å; N723-K727 WeakPolarHBondContact O-CG 3.42Å; N723-K727 PolarHBondContact O-N 3.26Å; N723-K727 WeakPolarHBondContact OD1-CE 3.46Å; N723-K727 PolarHBondContact OD1-NZ 3.44Å; N723-M783 PolarHBondContact ND2-O 3.44Å; N723-K784 PolarHBondContact ND2-O 3.14Å; N723-L786 HydrophobicContact CB-CD1 4.07Å; N723-L786 HydrophobicContact CB-CD2 4.47Å; N723-L786 HydrophobicContact CB-CG 4.18Å; N723-F804 HydrophobicContact CB-CD1 4.27Å; N723-F804 HydrophobicContact CB-CE1 3.91Å
724	S	86.3	Confident	86.2	Confident	46 Å²	46	50 Å²	50	32%	0.322	26%	0.262	S	S	.	.	H	α-helix	trans	-62.4	-43.2	174.2	-65.7	0	0	0	0	112.1	K720 T721 L722 I726 K727 L728	K720-S724 PolarHBondContact O-N 2.74Å; K720-S724 PolarHBondContact O-OG 2.97Å; T721-S724 PolarHBondContact O-N 2.87Å; L722-S724 VanDerWaalsContact C-N 3.34Å; L722-S724 PolarHBondContact O-N 2.85Å; S724-I726 VanDerWaalsContact C-N 3.35Å; S724-I726 PolarHBondContact O-N 3.2Å; S724-K727 PolarHBondContact O-N 2.97Å; S724-L728 WeakPolarHBondContact O-CG 3.44Å; S724-L728 PolarHBondContact O-N 3.37Å; S724-L728 VanDerWaalsContact O-N 3.11Å
725	L	84.1	Confident	85.8	Confident	35 Å²	35	53.3 Å²	53.3	18%	0.183	27%	0.272	C	S	.	.	H	α-helix	trans	-58.5	-45.9	173.2	173.1	61.8	0	0	0	111.6	V20 T721 L722 K727 L728 N729	V20-L725 HydrophobicContact CB-CB 4.41Å; V20-L725 HydrophobicContact CG1-CB 3.92Å; V20-L725 HydrophobicContact CG1-CD1 3.55Å; V20-L725 HydrophobicContact CG1-CD2 4.32Å; V20-L725 HydrophobicContact CG1-CG 4.1Å; V20-L725 HydrophobicContact CG2-CB 4.44Å; T721-L725 PolarHBondContact O-N 2.73Å; L722-L725 WeakPolarHBondContact O-CB 3.46Å; L722-L725 PolarHBondContact O-N 3.12Å; L725-K727 PolarHBondContact O-N 3.17Å; L725-L728 PolarHBondContact O-N 2.9Å; L725-N729 WeakPolarHBondContact O-CB 3.36Å; L725-N729 PolarHBondContact O-N 2.71Å
726	I	86.3	Confident	85.4	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-65.6	-37.8	179.8	-64.9	-55	0	0	0	111.9	L722 N723 S724 L728 N729 A730 M742 Y778 K784 L786	L722-I726 HydrophobicContact CD1-CD1 4.47Å; L722-I726 HydrophobicContact CD1-CG1 4.19Å; L722-I726 HydrophobicContact CG-CG1 4.5Å; L722-I726 WeakPolarHBondContact O-CG1 3.44Å; L722-I726 PolarHBondContact O-N 2.78Å; N723-I726 PolarHBondContact O-N 3.41Å; S724-I726 VanDerWaalsContact C-N 3.35Å; S724-I726 PolarHBondContact O-N 3.2Å; I726-L728 VanDerWaalsContact C-N 3.34Å; I726-L728 PolarHBondContact O-N 2.96Å; I726-N729 PolarHBondContact O-N 3.47Å; I726-A730 VanDerWaalsContact O-CB 3.24Å; I726-A730 WeakPolarHBondContact O-CB 3.34Å; I726-A730 PolarHBondContact O-N 3.49Å; I726-M742 HydrophobicContact CD1-CB 3.69Å; I726-M742 HydrophobicContact CD1-CG 4.22Å; I726-Y778 HydrophobicContact CG2-CD1 3.83Å; I726-Y778 HydrophobicContact CG2-CD2 3.95Å; I726-Y778 HydrophobicContact CG2-CE1 4.23Å; I726-Y778 HydrophobicContact CG2-CE2 4.33Å; I726-Y778 HydrophobicContact CG2-CG 3.67Å; I726-K784 HydrophobicContact CG2-CB 4.24Å; I726-L786 HydrophobicContact CG1-CD2 4.25Å
727	K	85.6	Confident	85	Confident	45 Å²	45	61.7 Å²	61.7	20%	0.196	32%	0.32	C	S	.	.	H	α-helix	trans	-60.4	-42.7	173.6	-76.3	169.8	174.4	163	0	112	N723 S724 L725 M783 K784 N806	N723-K727 WeakPolarHBondContact O-CG 3.42Å; N723-K727 PolarHBondContact O-N 3.26Å; N723-K727 WeakPolarHBondContact OD1-CE 3.46Å; N723-K727 PolarHBondContact OD1-NZ 3.44Å; S724-K727 PolarHBondContact O-N 2.97Å; L725-K727 PolarHBondContact O-N 3.17Å; K727-M783 WeakPolarHBondContact CE-O 3.29Å; K727-K784 HydrophobicContact CG-CB 4.34Å; K727-K784 HydrophobicContact CG-CG 4.45Å; K727-N806 PolarHBondContact NZ-O 3.14Å
728	L	82.1	Confident	84.8	Confident	80 Å²	80	57.9 Å²	57.9	42%	0.419	30%	0.3	S	S	.	.	H	α-helix	trans	-66.8	-46.4	175.8	-71	168	0	0	0	111.8	D21 S724 L725 I726 A730 V731	D21-L728 HydrophobicContact CB-CD1 4.05Å; S724-L728 WeakPolarHBondContact O-CG 3.44Å; S724-L728 PolarHBondContact O-N 3.37Å; S724-L728 VanDerWaalsContact O-N 3.11Å; L725-L728 PolarHBondContact O-N 2.9Å; I726-L728 VanDerWaalsContact C-N 3.34Å; I726-L728 PolarHBondContact O-N 2.96Å; L728-A730 VanDerWaalsContact C-N 3.33Å; L728-A730 PolarHBondContact O-N 2.98Å; L728-V731 WeakPolarHBondContact O-CB 3.25Å; L728-V731 PolarHBondContact O-N 3.39Å
729	N	80.8	Confident	84.9	Confident	30 Å²	30	60.9 Å²	60.9	16%	0.16	31%	0.313	C	S	.	.	H	α-helix	trans	-63.6	-37.9	179.6	-78.7	-7.8	0	0	0	112.2	L725 I726 V731 K732 L733	L725-N729 WeakPolarHBondContact O-CB 3.36Å; L725-N729 PolarHBondContact O-N 2.71Å; I726-N729 PolarHBondContact O-N 3.47Å; N729-V731 PolarHBondContact O-N 3.31Å; N729-V731 VanDerWaalsContact O-N 3.13Å; N729-K732 PolarHBondContact O-N 3.38Å; N729-L733 HydrophobicContact CB-CD1 4.03Å; N729-L733 WeakPolarHBondContact O-CB 3.33Å; N729-L733 PolarHBondContact O-N 2.94Å
730	A	79.2	Confident	84.7	Confident	35 Å²	35	66.7 Å²	66.7	29%	0.289	34%	0.34	S	S	.	.	H	α-helix	trans	-63.4	-17.9	178.8	0	0	0	0	0	113.6	I726 L728 K784	I726-A730 VanDerWaalsContact O-CB 3.24Å; I726-A730 WeakPolarHBondContact O-CB 3.34Å; I726-A730 PolarHBondContact O-N 3.49Å; L728-A730 VanDerWaalsContact C-N 3.33Å; L728-A730 PolarHBondContact O-N 2.98Å; A730-K784 HydrophobicContact CB-CD 4.42Å; A730-K784 HydrophobicContact CB-CG 4.37Å
731	V	77.9	Confident	84.5	Confident	126 Å²	126	63.7 Å²	63.7	76%	0.764	33%	0.333	S	S	*	.	H	α-helix	trans	-79.8	-32.7	173	179.2	0	0	0	0	111.5	L728 N729	L728-V731 WeakPolarHBondContact O-CB 3.25Å; L728-V731 PolarHBondContact O-N 3.39Å; N729-V731 PolarHBondContact O-N 3.31Å; N729-V731 VanDerWaalsContact O-N 3.13Å
732	K	78.1	Confident	84.8	Confident	180 Å²	180	62.6 Å²	62.6	78%	0.783	33%	0.326	S	S	*	.	H	α-helix	trans	-104.8	-28.1	-171.3	-63.7	-177.1	-179.4	178	0	114.1	N729	N729-K732 PolarHBondContact O-N 3.38Å
733	L	79.7	Confident	85	Confident	69 Å²	69	63.4 Å²	63.4	36%	0.361	33%	0.33	S	S	.	.	S	Bend	trans	-114.5	150.5	-170.9	-58.8	179.7	0	0	0	110.8	N729 K737	N729-L733 HydrophobicContact CB-CD1 4.03Å; N729-L733 WeakPolarHBondContact O-CB 3.33Å; N729-L733 PolarHBondContact O-N 2.94Å; L733-K737 HydrophobicContact CB-CB 4.28Å
734	N	84.1	Confident	85	Confident	94 Å²	94	67.5 Å²	67.5	50%	0.503	36%	0.355	S	S	.	.			trans	-71.3	164.5	168.8	72.5	21.3	0	0	0	111	A736 K737 G738	N734-A736 VanDerWaalsContact C-N 3.33Å; N734-A736 PolarHBondContact O-N 3.36Å; N734-A736 PolarHBondContact OD1-N 3.17Å; N734-K737 PolarHBondContact O-N 2.94Å; N734-K737 VanDerWaalsContact OD1-CB 3.3Å; N734-K737 WeakPolarHBondContact OD1-CB 3.25Å; N734-K737 VanDerWaalsContact OD1-CG 3.28Å; N734-K737 WeakPolarHBondContact OD1-CG 3.48Å; N734-K737 PolarHBondContact OD1-N 3.31Å; N734-G738 PolarHBondContact O-N 3.47Å
735	R	82.5	Confident	85.1	Confident	137 Å²	137	65.7 Å²	65.7	52%	0.517	34%	0.342	S	S	.	.	H	α-helix	trans	-58.3	-40.8	-173	-171.7	-179.4	-177.6	160.1	12.5	114	G738 K739 Y778 D780	R735-G738 PolarHBondContact O-N 3.24Å; R735-K739 PolarHBondContact O-N 3.02Å; R735-Y778 WeakPolarHBondContact CA-OH 3.41Å; R735-Y778 PolarHBondContact O-OH 2.89Å; R735-D780 IonicContact CZ-OD1 3.4Å; R735-D780 IonicContact CZ-OD2 2.57Å; R735-D780 IonicContact NE-OD1 2.68Å; R735-D780 PolarHBondContact NE-OD1 2.89Å; R735-D780 VanDerWaalsContact NH1-CG 3.25Å; R735-D780 IonicContact NH1-OD1 3.25Å; R735-D780 PolarHBondContact NH1-OD1 3.16Å; R735-D780 VanDerWaalsContact NH1-OD1 3.09Å; R735-D780 IonicContact NH1-OD2 3.7Å; R735-D780 PolarHBondContact NH1-OD2 3.12Å; R735-D780 VanDerWaalsContact NH2-CG 3.26Å; R735-D780 IonicContact NH2-OD1 2.93Å; R735-D780 PolarHBondContact NH2-OD1 2.74Å; R735-D780 VanDerWaalsContact NH2-OD1 3.13Å; R735-D780 IonicContact NH2-OD2 3.63Å; R735-D780 PolarHBondContact NH2-OD2 3.34Å
736	A	86.4	Confident	85.4	Confident	73 Å²	73	64.1 Å²	64.1	60%	0.603	33%	0.334	S	S	*	.	H	α-helix	trans	-65	-48.3	-179.8	0	0	0	0	0	111.5	N734 G738 K739 E740	N734-A736 VanDerWaalsContact C-N 3.33Å; N734-A736 PolarHBondContact O-N 3.36Å; N734-A736 PolarHBondContact OD1-N 3.17Å; A736-G738 VanDerWaalsContact C-N 3.33Å; A736-G738 PolarHBondContact O-N 2.97Å; A736-K739 WeakPolarHBondContact O-CB 3.47Å; A736-K739 PolarHBondContact O-N 3.34Å; A736-K739 VanDerWaalsContact O-N 3.17Å; A736-E740 PolarHBondContact O-N 3.11Å
737	K	85.3	Confident	85.6	Confident	121 Å²	121	69.6 Å²	69.6	53%	0.526	36%	0.358	S	S	.	.	H	α-helix	trans	-65.1	-35.9	176.4	-70	-178.7	178.6	-172.3	0	112.3	L733 N734 K739 E740 A741	L733-K737 HydrophobicContact CB-CB 4.28Å; N734-K737 PolarHBondContact O-N 2.94Å; N734-K737 VanDerWaalsContact OD1-CB 3.3Å; N734-K737 WeakPolarHBondContact OD1-CB 3.25Å; N734-K737 VanDerWaalsContact OD1-CG 3.28Å; N734-K737 WeakPolarHBondContact OD1-CG 3.48Å; N734-K737 PolarHBondContact OD1-N 3.31Å; K737-K739 VanDerWaalsContact C-N 3.33Å; K737-E740 PolarHBondContact O-N 2.94Å; K737-A741 WeakPolarHBondContact O-CB 3.31Å; K737-A741 PolarHBondContact O-N 3.03Å
738	G	86.4	Confident	85.6	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.01	37%	0.368	C	S	.	.	H	α-helix	trans	-62.3	-40	172.8	0	0	0	0	0	112.5	N734 R735 A736 M742	N734-G738 PolarHBondContact O-N 3.47Å; R735-G738 PolarHBondContact O-N 3.24Å; A736-G738 VanDerWaalsContact C-N 3.33Å; A736-G738 PolarHBondContact O-N 2.97Å; G738-M742 PolarHBondContact O-N 3.08Å
739	K	89.6	Confident	85.7	Confident	83 Å²	83	70.9 Å²	70.9	36%	0.361	37%	0.369	S	S	.	.	H	α-helix	trans	-67.1	-42.9	175.7	-174.8	-178	175.2	-171.2	0	111.4	R735 A736 K737 M742 H743 Y778	R735-K739 PolarHBondContact O-N 3.02Å; A736-K739 WeakPolarHBondContact O-CB 3.47Å; A736-K739 PolarHBondContact O-N 3.34Å; A736-K739 VanDerWaalsContact O-N 3.17Å; K737-K739 VanDerWaalsContact C-N 3.33Å; K739-M742 WeakPolarHBondContact O-CB 3.15Å; K739-M742 PolarHBondContact O-N 3.38Å; K739-H743 WeakPolarHBondContact CE-CE1 3.44Å; K739-H743 WeakPolarHBondContact CE-NE2 3.48Å; K739-H743 PolarHBondContact O-CD2 2.58Å; K739-H743 VanDerWaalsContact O-CG 3.31Å; K739-H743 PolarHBondContact O-N 3.12Å; K739-Y778 HydrophobicContact CB-CE1 4.48Å
740	E	89.2	Confident	85.7	Confident	130 Å²	130	69.5 Å²	69.5	61%	0.607	36%	0.363	S	S	*	.	H	α-helix	trans	-60.9	-45.6	175.5	-172.6	178.6	-173.8	0	0	111.6	A736 K737 M742 H743 T744	A736-E740 PolarHBondContact O-N 3.11Å; K737-E740 PolarHBondContact O-N 2.94Å; E740-M742 VanDerWaalsContact C-N 3.32Å; E740-M742 PolarHBondContact O-N 3.31Å; E740-H743 PolarHBondContact O-N 3.32Å; E740-H743 VanDerWaalsContact O-N 3.12Å; E740-T744 PolarHBondContact O-N 3.24Å; E740-T744 PolarHBondContact O-OG1 3.47Å; E740-T744 VanDerWaalsContact O-OG1 3.14Å
741	A	86.4	Confident	86.1	Confident	29 Å²	29	68.7 Å²	68.7	24%	0.24	35%	0.352	C	S	.	.	H	α-helix	trans	-59.9	-40.6	174.9	0	0	0	0	0	112.5	K737 C745	K737-A741 WeakPolarHBondContact O-CB 3.31Å; K737-A741 PolarHBondContact O-N 3.03Å; A741-C745 WeakPolarHBondContact O-CB 3.47Å; A741-C745 PolarHBondContact O-N 2.88Å
742	M	91.3	Very high	86.6	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-59.2	-47.1	173.1	-175.7	-179.3	168.8	0	0	111.3	L722 I726 G738 K739 E740 C745 L746 C776 Y778 L786 L788	L722-M742 HydrophobicContact CD1-CG 4.44Å; I726-M742 HydrophobicContact CD1-CB 3.69Å; I726-M742 HydrophobicContact CD1-CG 4.22Å; G738-M742 PolarHBondContact O-N 3.08Å; K739-M742 WeakPolarHBondContact O-CB 3.15Å; K739-M742 PolarHBondContact O-N 3.38Å; E740-M742 VanDerWaalsContact C-N 3.32Å; E740-M742 PolarHBondContact O-N 3.31Å; M742-C745 PolarHBondContact O-N 3.06Å; M742-L746 HydrophobicContact CE-CD1 3.86Å; M742-L746 HydrophobicContact CG-CD1 4.13Å; M742-L746 WeakPolarHBondContact O-CG 3.42Å; M742-L746 PolarHBondContact O-N 3.27Å; M742-C776 HydrophobicContact CE-CB 4.09Å; M742-Y778 HydrophobicContact SD-CD1 4.11Å; M742-L786 HydrophobicContact CE-CB 4.47Å; M742-L786 HydrophobicContact CE-CD2 4.2Å; M742-L786 HydrophobicContact SD-CD2 4.46Å; M742-L788 HydrophobicContact CE-CD2 4.41Å
743	H	93.7	Very high	87.1	Confident	17 Å²	17	66.2 Å²	66.2	8%	0.079	33%	0.329	C	S	.	.	H	α-helix	trans	-65.4	-43	-178.6	-71.9	-167.7	0	0	0	112.2	K739 E740 C745 L746 K747 V773 E774 C776	K739-H743 WeakPolarHBondContact CE-CE1 3.44Å; K739-H743 WeakPolarHBondContact CE-NE2 3.48Å; K739-H743 PolarHBondContact O-CD2 2.58Å; K739-H743 VanDerWaalsContact O-CG 3.31Å; K739-H743 PolarHBondContact O-N 3.12Å; E740-H743 PolarHBondContact O-N 3.32Å; E740-H743 VanDerWaalsContact O-N 3.12Å; H743-C745 VanDerWaalsContact C-N 3.32Å; H743-C745 PolarHBondContact O-N 2.96Å; H743-L746 PolarHBondContact O-N 3.42Å; H743-K747 VanDerWaalsContact O-CG 3.32Å; H743-K747 WeakPolarHBondContact O-CG 3.41Å; H743-K747 PolarHBondContact O-N 2.67Å; H743-V773 HydrophobicContact CB-CG1 3.99Å; H743-V773 PolarHBondContact CE1-O 3.39Å; H743-V773 PolarHBondContact NE2-O 3.29Å; H743-E774 IonicContact ND1-OE2 3.68Å; H743-C776 PolarHBondContact NE2-O 3.3Å
744	T	89.9	Confident	87.6	Confident	85 Å²	85	63.1 Å²	63.1	52%	0.521	31%	0.313	S	S	.	.	H	α-helix	trans	-60.1	-43.8	175	-60.9	0	0	0	0	111.1	E740 K747 Q748	E740-T744 PolarHBondContact O-N 3.24Å; E740-T744 PolarHBondContact O-OG1 3.47Å; E740-T744 VanDerWaalsContact O-OG1 3.14Å; T744-K747 PolarHBondContact O-N 3.31Å; T744-Q748 PolarHBondContact O-N 3.48Å
745	C	87.9	Confident	88	Confident	9 Å²	9	58.6 Å²	58.6	6%	0.061	29%	0.289	C	S	.	.	H	α-helix	trans	-63.9	-45.2	176.7	-173.7	0	0	0	0	112.1	L722 A741 M742 H743 K747 Q748 Y751	L722-C745 HydrophobicContact CD1-CB 4.06Å; A741-C745 WeakPolarHBondContact O-CB 3.47Å; A741-C745 PolarHBondContact O-N 2.88Å; M742-C745 PolarHBondContact O-N 3.06Å; H743-C745 VanDerWaalsContact C-N 3.32Å; H743-C745 PolarHBondContact O-N 2.96Å; C745-K747 PolarHBondContact O-N 3.1Å; C745-Q748 VanDerWaalsContact O-CB 3.28Å; C745-Q748 WeakPolarHBondContact O-CB 3.49Å; C745-Q748 WeakPolarHBondContact O-CG 3.36Å; C745-Q748 PolarHBondContact O-N 3.1Å; C745-Q748 VanDerWaalsContact O-N 3.1Å; C745-Y751 WeakPolarHBondContact O-CD2 3.4Å; C745-Y751 WeakPolarHBondContact SG-CE2 3.48Å; C745-Y751 VanDerWaalsContact SG-CZ 3.55Å
746	L	90.5	Very high	88.4	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-64	-25.8	177.2	-73.9	175.2	0	0	0	113.8	L722 M742 H743 Q748 L755 L771 V773 C776	L722-L746 HydrophobicContact CD2-CD2 3.58Å; L722-L746 HydrophobicContact CD2-CG 3.99Å; M742-L746 HydrophobicContact CE-CD1 3.86Å; M742-L746 HydrophobicContact CG-CD1 4.13Å; M742-L746 WeakPolarHBondContact O-CG 3.42Å; M742-L746 PolarHBondContact O-N 3.27Å; H743-L746 PolarHBondContact O-N 3.42Å; L746-Q748 VanDerWaalsContact C-N 3.34Å; L746-L755 HydrophobicContact CD2-CD1 3.66Å; L746-L771 HydrophobicContact CD2-CD1 4.15Å; L746-V773 HydrophobicContact CB-CG1 4.03Å; L746-V773 HydrophobicContact CB-CG2 4.22Å; L746-V773 HydrophobicContact CD1-CG1 4.3Å; L746-C776 HydrophobicContact CD1-CB 4.04Å
747	K	90.6	Very high	88.6	Confident	116 Å²	116	53 Å²	53	50%	0.504	26%	0.26	S	S	.	.	H	α-helix	trans	-79.6	-13.4	176.3	-74.1	172.7	-177.7	176.2	0	113.2	H743 T744 C745 V773 E774	H743-K747 VanDerWaalsContact O-CG 3.32Å; H743-K747 WeakPolarHBondContact O-CG 3.41Å; H743-K747 PolarHBondContact O-N 2.67Å; T744-K747 PolarHBondContact O-N 3.31Å; C745-K747 PolarHBondContact O-N 3.1Å; K747-V773 HydrophobicContact CG-CG1 4.3Å; K747-E774 WeakPolarHBondContact CE-OE1 3.46Å; K747-E774 IonicContact NZ-OE1 2.8Å; K747-E774 PolarHBondContact NZ-OE1 2.95Å
748	Q	85.5	Confident	88.9	Confident	86 Å²	86	47.7 Å²	47.7	40%	0.402	24%	0.237	S	C	.	.	S	Bend	trans	-62.5	142.7	173.6	-65.7	172.4	-17.1	0	0	110.2	T744 C745 L746 A750 Y751 R752	T744-Q748 PolarHBondContact O-N 3.48Å; C745-Q748 VanDerWaalsContact O-CB 3.28Å; C745-Q748 WeakPolarHBondContact O-CB 3.49Å; C745-Q748 WeakPolarHBondContact O-CG 3.36Å; C745-Q748 PolarHBondContact O-N 3.1Å; C745-Q748 VanDerWaalsContact O-N 3.1Å; L746-Q748 VanDerWaalsContact C-N 3.34Å; Q748-A750 VanDerWaalsContact C-N 3.26Å; Q748-A750 PolarHBondContact O-N 3.16Å; Q748-Y751 HydrophobicContact CB-CD2 4.35Å; Q748-Y751 PolarHBondContact O-N 3.27Å; Q748-Y751 VanDerWaalsContact O-N 3.1Å; Q748-R752 PolarHBondContact O-N 3.48Å
749	S	83.8	Confident	89.2	Confident	65 Å²	65	49.1 Å²	49.1	46%	0.455	24%	0.244	S	C	.	.	H	α-helix	trans	-56.6	-39.8	-176.5	48	0	0	0	0	112.4	R98 Y751 R752 E753	R98-S749 PolarHBondContact NH2-OG 3.42Å; S749-Y751 PolarHBondContact O-N 3.22Å; S749-R752 PolarHBondContact O-N 2.8Å; S749-E753 WeakPolarHBondContact O-CB 3.17Å; S749-E753 VanDerWaalsContact O-CG 3.31Å; S749-E753 WeakPolarHBondContact O-CG 3.47Å; S749-E753 PolarHBondContact O-N 2.85Å
750	A	81.4	Confident	89.5	Confident	2 Å²	2	45.4 Å²	45.4	2%	0.017	23%	0.228	C	C	.	.	H	α-helix	trans	-59.6	-40.5	176.5	0	0	0	0	0	114.6	Q748 A754	Q748-A750 VanDerWaalsContact C-N 3.26Å; Q748-A750 PolarHBondContact O-N 3.16Å; A750-A754 VanDerWaalsContact O-CB 3.29Å; A750-A754 WeakPolarHBondContact O-CB 3.43Å; A750-A754 PolarHBondContact O-N 3.33Å
751	Y	87.9	Confident	89.8	Confident	18 Å²	18	39.5 Å²	39.5	7%	0.071	20%	0.201	C	C	.	.	H	α-helix	trans	-78.4	-39.7	177.3	-78.9	-90.8	0	0	0	111.5	K718 T721 L722 C745 Q748 S749 L755	K718-Y751 HydrophobicContact CB-CD1 4.06Å; K718-Y751 HydrophobicContact CB-CE1 3.9Å; K718-Y751 HydrophobicContact CD-CD1 4.3Å; K718-Y751 HydrophobicContact CD-CE1 3.99Å; K718-Y751 HydrophobicContact CG-CE1 4.49Å; K718-Y751 WeakPolarHBondContact O-CE1 3.38Å; T721-Y751 PolarHBondContact OG1-OH 3.12Å; T721-Y751 VanDerWaalsContact OG1-OH 3.06Å; L722-Y751 HydrophobicContact CB-CE1 3.92Å; C745-Y751 WeakPolarHBondContact O-CD2 3.4Å; C745-Y751 WeakPolarHBondContact SG-CE2 3.48Å; C745-Y751 VanDerWaalsContact SG-CZ 3.55Å; Q748-Y751 HydrophobicContact CB-CD2 4.35Å; Q748-Y751 PolarHBondContact O-N 3.27Å; Q748-Y751 VanDerWaalsContact O-N 3.1Å; S749-Y751 PolarHBondContact O-N 3.22Å; Y751-L755 HydrophobicContact CD1-CD1 4.08Å; Y751-L755 WeakPolarHBondContact O-CB 3.47Å; Y751-L755 VanDerWaalsContact O-CG 3.24Å; Y751-L755 WeakPolarHBondContact O-CG 3.38Å; Y751-L755 PolarHBondContact O-N 3.21Å
752	R	88.9	Confident	90.2	Very high	140 Å²	140	39.1 Å²	39.1	53%	0.528	20%	0.195	S	C	.	.	H	α-helix	trans	-62.2	-45.5	179.7	-174.4	179	176.7	171.3	0.1	111.7	Q748 S749 S756 E770	Q748-R752 PolarHBondContact O-N 3.48Å; S749-R752 PolarHBondContact O-N 2.8Å; R752-S756 WeakPolarHBondContact O-CB 3.44Å; R752-S756 PolarHBondContact O-N 3.33Å; R752-S756 PolarHBondContact O-OG 3.25Å; R752-E770 IonicContact NH2-OE1 2.58Å; R752-E770 PolarHBondContact NH2-OE1 3.43Å; R752-E770 VanDerWaalsContact NH2-OE1 3.16Å
753	E	88	Confident	90.3	Very high	114 Å²	114	41.6 Å²	41.6	53%	0.533	21%	0.208	S	C	.	.	H	α-helix	trans	-66.8	-48.7	179.7	-72.3	160.1	-169.4	0	0	111.8	R98 S749 L755	R98-E753 IonicContact CZ-OE2 2.7Å; R98-E753 IonicContact NH1-OE2 3.79Å; R98-E753 PolarHBondContact NH1-OE2 2.85Å; R98-E753 IonicContact NH2-OE1 3.82Å; R98-E753 PolarHBondContact NH2-OE1 3.01Å; R98-E753 IonicContact NH2-OE2 2.59Å; R98-E753 PolarHBondContact NH2-OE2 2.8Å; S749-E753 WeakPolarHBondContact O-CB 3.17Å; S749-E753 VanDerWaalsContact O-CG 3.31Å; S749-E753 WeakPolarHBondContact O-CG 3.47Å; S749-E753 PolarHBondContact O-N 2.85Å; E753-L755 PolarHBondContact O-N 2.87Å
754	A	89.4	Confident	90.1	Very high	3 Å²	3	41.4 Å²	41.4	3%	0.025	21%	0.208	C	C	.	.	H	α-helix	trans	-68.4	-34.1	-177.4	0	0	0	0	0	113.1	E714 A715 K718 A750	E714-A754 HydrophobicContact CG-CB 4.27Å; A715-A754 WeakPolarHBondContact CB-O 3.34Å; K718-A754 HydrophobicContact CG-CB 3.87Å; A750-A754 VanDerWaalsContact O-CB 3.29Å; A750-A754 WeakPolarHBondContact O-CB 3.43Å; A750-A754 PolarHBondContact O-N 3.33Å
755	L	93.9	Very high	90.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	3.4	-175.6	-58.6	179.4	0	0	0	114.1	A715 K718 L719 L746 Y751 E753 L758 L771 Y790	A715-L755 HydrophobicContact CB-CD2 3.89Å; A715-L755 WeakPolarHBondContact O-CD2 3.3Å; K718-L755 HydrophobicContact CB-CD2 4.19Å; L719-L755 HydrophobicContact CD1-CD2 4.37Å; L719-L755 HydrophobicContact CD2-CD1 3.91Å; L719-L755 HydrophobicContact CD2-CD2 3.87Å; L719-L755 HydrophobicContact CG-CD2 3.78Å; L746-L755 HydrophobicContact CD2-CD1 3.66Å; Y751-L755 HydrophobicContact CD1-CD1 4.08Å; Y751-L755 WeakPolarHBondContact O-CB 3.47Å; Y751-L755 VanDerWaalsContact O-CG 3.24Å; Y751-L755 WeakPolarHBondContact O-CG 3.38Å; Y751-L755 PolarHBondContact O-N 3.21Å; E753-L755 PolarHBondContact O-N 2.87Å; L755-L758 WeakPolarHBondContact O-CD2 3.32Å; L755-L771 HydrophobicContact CB-CD1 3.69Å; L755-L771 HydrophobicContact CD1-CD1 3.96Å; L755-L771 HydrophobicContact CG-CD1 4.5Å; L755-Y790 WeakPolarHBondContact O-CE1 3.13Å; L755-Y790 PolarHBondContact O-OH 2.91Å; L755-Y790 VanDerWaalsContact O-OH 3.08Å
756	S	91.2	Very high	90.1	Very high	10 Å²	10	38.3 Å²	38.3	7%	0.07	19%	0.189	C	C	.	.	S	Bend	trans	-120.4	156.2	-178.3	-52	0	0	0	0	113.5	K711 R752 L758 S769	K711-S756 VanDerWaalsContact CE-O 3.31Å; K711-S756 WeakPolarHBondContact CE-O 3.43Å; K711-S756 PolarHBondContact NZ-O 3.38Å; R752-S756 WeakPolarHBondContact O-CB 3.44Å; R752-S756 PolarHBondContact O-N 3.33Å; R752-S756 PolarHBondContact O-OG 3.25Å; S756-L758 PolarHBondContact O-N 3.44Å; S756-S769 CarbonylContact C-O 3.55Å; S756-S769 WeakPolarHBondContact CA-O 3.07Å; S756-S769 WeakPolarHBondContact CB-O 3.07Å
757	D	89.4	Confident	90	Very high	83 Å²	83	41.2 Å²	41.2	44%	0.444	20%	0.204	S	C	.	.	S	Bend	trans	51.5	48.7	179.4	-62.7	-43	0	0	0	113.2	K711 L768 S769 K793	K711-D757 PolarHBondContact NZ-O 2.97Å; D757-L768 CarbonylContact C-O 3.54Å; D757-L768 WeakPolarHBondContact CA-O 3.17Å; D757-L768 PolarHBondContact N-O 3.19Å; D757-S769 PolarHBondContact N-O 2.94Å; D757-K793 IonicContact OD1-NZ 3.29Å; D757-K793 PolarHBondContact OD1-NZ 2.89Å; D757-K793 IonicContact OD2-NZ 2.78Å; D757-K793 PolarHBondContact OD2-NZ 3.06Å
758	L	91.4	Very high	90.1	Very high	9 Å²	9	36 Å²	36	5%	0.047	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	153.5	178.2	69.3	155.2	0	0	0	112.1	K711 A715 L755 S756 L768	K711-L758 HydrophobicContact CD-CB 3.89Å; K711-L758 HydrophobicContact CG-CB 4.07Å; A715-L758 HydrophobicContact CB-CD1 3.59Å; L755-L758 WeakPolarHBondContact O-CD2 3.32Å; S756-L758 PolarHBondContact O-N 3.44Å; L758-L768 HydrophobicContact CD2-CB 4.06Å; L758-L768 HydrophobicContact CG-CB 4.24Å; L758-L768 HydrophobicContact CG-CD1 4.32Å; L758-L768 PolarHBondContact N-O 2.72Å; L758-L768 WeakPolarHBondContact O-CA 3.45Å; L758-L768 WeakPolarHBondContact O-CB 3.48Å; L758-L768 PolarHBondContact O-N 2.97Å
759	Q	93.5	Very high	90.2	Very high	30 Å²	30	32.1 Å²	32.1	14%	0.14	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	135.8	170.4	-69.2	175.5	33.4	0	0	110	V254 V708 Q712 P764	V254-Q759 HydrophobicContact CG2-CG 4.46Å; V708-Q759 HydrophobicContact CG1-CB 3.93Å; V708-Q759 HydrophobicContact CG1-CG 4.23Å; Q712-Q759 WeakPolarHBondContact CG-O 3.35Å; Q712-Q759 PolarHBondContact NE2-O 3.44Å; Q759-P764 PolarHBondContact OE1-O 3.34Å
760	S	94.8	Very high	90.5	Very high	5 Å²	5	32.5 Å²	32.5	4%	0.035	16%	0.159	C	C	.	.			trans	-65.8	132.6	179.7	-177.5	0	0	0	0	111.3	Q672 L762 N763 V766	Q672-S760 PolarHBondContact NE2-O 3.48Å; S760-L762 PolarHBondContact O-N 3.34Å; S760-L762 PolarHBondContact OG-N 3.44Å; S760-N763 WeakPolarHBondContact CB-O 3.3Å; S760-N763 CarbonylContact O-C 3.53Å; S760-N763 PolarHBondContact O-N 2.88Å; S760-N763 VanDerWaalsContact O-O 3.1Å; S760-V766 PolarHBondContact N-O 3.36Å
761	P	96.9	Very high	91	Very high	6 Å²	6	33.4 Å²	33.4	4%	0.039	16%	0.163	C	C	.	.	S	Bend	trans	-62.5	-30.2	171.7	-22.7	33.3	0	0	0	112.8	Q672 W676 Q712 L842 L850	Q672-P761 PolarHBondContact NE2-O 3.23Å; Q672-P761 VanDerWaalsContact NE2-O 3.09Å; W676-P761 HydrophobicContact CZ2-CB 4.44Å; Q712-P761 HydrophobicContact CB-CG 4.08Å; Q712-P761 HydrophobicContact CG-CG 3.94Å; P761-L842 HydrophobicContact CB-CD2 3.98Å; P761-L842 WeakPolarHBondContact O-CD2 3.38Å; P761-L850 HydrophobicContact CB-CD1 3.81Å; P761-L850 HydrophobicContact CG-CD1 3.71Å
762	L	95.3	Very high	91.2	Very high	22 Å²	22	37 Å²	37	12%	0.115	18%	0.177	C	C	.	.	S	Bend	trans	-68	-37.6	178.6	-72.7	167	0	0	0	112.5	S760 V802 L842 L850 E852	S760-L762 PolarHBondContact O-N 3.34Å; S760-L762 PolarHBondContact OG-N 3.44Å; L762-V802 HydrophobicContact CD1-CG1 4.07Å; L762-V802 HydrophobicContact CD1-CG2 4.44Å; L762-L842 HydrophobicContact CD2-CB 3.81Å; L762-L850 HydrophobicContact CD1-CB 3.87Å; L762-L850 HydrophobicContact CD2-CB 3.89Å; L762-L850 HydrophobicContact CG-CB 3.77Å; L762-L850 HydrophobicContact CG-CD1 4.3Å; L762-E852 HydrophobicContact CD1-CB 4.15Å
763	N	91.7	Very high	91.5	Very high	52 Å²	52	31.2 Å²	31.2	28%	0.278	16%	0.158	S	C	.	.			trans	-148.7	108.1	176.2	-176.3	-18	0	0	0	109	S760 C765 V766	S760-N763 WeakPolarHBondContact CB-O 3.3Å; S760-N763 CarbonylContact O-C 3.53Å; S760-N763 PolarHBondContact O-N 2.88Å; S760-N763 VanDerWaalsContact O-O 3.1Å; N763-C765 PolarHBondContact O-N 3.13Å; N763-C765 VanDerWaalsContact O-N 3.09Å; N763-C765 WeakPolarHBondContact OD1-CB 3.17Å; N763-C765 PolarHBondContact OD1-N 3.02Å; N763-V766 HydrophobicContact CB-CB 4.47Å; N763-V766 HydrophobicContact CB-CG2 4Å; N763-V766 PolarHBondContact O-N 2.95Å
764	P	91	Very high	91.7	Very high	12 Å²	12	30.6 Å²	30.6	8%	0.078	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.5	-177.3	18.9	-28	0	0	0	113.7	V254 R669 Q759 V766	V254-P764 WeakPolarHBondContact CG2-O 3.33Å; R669-P764 HydrophobicContact CG-CG 4.07Å; Q759-P764 PolarHBondContact OE1-O 3.34Å; P764-V766 VanDerWaalsContact C-N 3.26Å; P764-V766 PolarHBondContact O-N 3.39Å
765	C	88.8	Confident	91.8	Very high	6 Å²	6	35.6 Å²	35.6	4%	0.041	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-23.4	178.6	-57.3	0	0	0	0	112.1	R253 V254 E255 R669 N763	R253-C765 CarbonylContact C-O 3.56Å; R253-C765 WeakPolarHBondContact CA-O 3.41Å; R253-C765 VanDerWaalsContact CB-O 3.27Å; R253-C765 WeakPolarHBondContact CB-O 3.46Å; V254-C765 PolarHBondContact N-O 2.62Å; E255-C765 HydrophobicContact CB-CB 4.22Å; R669-C765 PolarHBondContact NH2-SG 2.8Å; N763-C765 PolarHBondContact O-N 3.13Å; N763-C765 VanDerWaalsContact O-N 3.09Å; N763-C765 WeakPolarHBondContact OD1-CB 3.17Å; N763-C765 PolarHBondContact OD1-N 3.02Å
766	V	88.9	Confident	91.9	Very high	23 Å²	23	35.6 Å²	35.6	14%	0.139	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-88	122.5	-177.5	178.1	0	0	0	0	110.3	S760 N763 P764 L768 V800	S760-V766 PolarHBondContact N-O 3.36Å; N763-V766 HydrophobicContact CB-CB 4.47Å; N763-V766 HydrophobicContact CB-CG2 4Å; N763-V766 PolarHBondContact O-N 2.95Å; P764-V766 VanDerWaalsContact C-N 3.26Å; P764-V766 PolarHBondContact O-N 3.39Å; V766-L768 HydrophobicContact CG1-CD2 4.39Å; V766-V800 HydrophobicContact CG1-CG1 4.19Å; V766-V800 HydrophobicContact CG1-CG2 4.19Å
767	I	88.5	Confident	92	Very high	63 Å²	63	39.6 Å²	39.6	32%	0.323	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	120.1	172.3	-61.6	165.5	0	0	0	109.3	V254 S769	V254-I767 HydrophobicContact CG1-CD1 3.76Å; V254-I767 HydrophobicContact CG1-CG1 4.18Å; I767-S769 PolarHBondContact O-N 3.4Å
768	L	91.1	Very high	92.2	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.031	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	98.5	167.8	-55.4	-178.9	0	0	0	107.9	D757 L758 V766 Y790 V800 V802	D757-L768 CarbonylContact C-O 3.54Å; D757-L768 WeakPolarHBondContact CA-O 3.17Å; D757-L768 PolarHBondContact N-O 3.19Å; L758-L768 HydrophobicContact CD2-CB 4.06Å; L758-L768 HydrophobicContact CG-CB 4.24Å; L758-L768 HydrophobicContact CG-CD1 4.32Å; L758-L768 PolarHBondContact N-O 2.72Å; L758-L768 WeakPolarHBondContact O-CA 3.45Å; L758-L768 WeakPolarHBondContact O-CB 3.48Å; L758-L768 PolarHBondContact O-N 2.97Å; V766-L768 HydrophobicContact CG1-CD2 4.39Å; L768-Y790 HydrophobicContact CB-CD1 3.79Å; L768-Y790 HydrophobicContact CB-CD2 4.4Å; L768-Y790 HydrophobicContact CB-CE1 3.75Å; L768-Y790 HydrophobicContact CB-CE2 4.38Å; L768-Y790 HydrophobicContact CB-CG 4.11Å; L768-Y790 HydrophobicContact CD1-CE2 4.08Å; L768-Y790 HydrophobicContact CD2-CD2 3.9Å; L768-Y790 HydrophobicContact CD2-CE2 4.21Å; L768-Y790 HydrophobicContact CD2-CG 4.14Å; L768-Y790 HydrophobicContact CG-CE2 4.46Å; L768-V800 HydrophobicContact CD2-CG1 3.96Å; L768-V802 HydrophobicContact CD2-CG2 4.25Å
769	S	88.8	Confident	92.1	Very high	6 Å²	6	39.3 Å²	39.3	4%	0.042	19%	0.188	C	C	.	.			trans	-78.7	-113.7	-174.9	80.5	0	0	0	0	112.2	S756 D757 I767 N791	S756-S769 CarbonylContact C-O 3.55Å; S756-S769 WeakPolarHBondContact CA-O 3.07Å; S756-S769 WeakPolarHBondContact CB-O 3.07Å; D757-S769 PolarHBondContact N-O 2.94Å; I767-S769 PolarHBondContact O-N 3.4Å; S769-N791 PolarHBondContact OG-O 3.32Å
770	E	89.8	Confident	91.7	Very high	73 Å²	73	42.1 Å²	42.1	34%	0.341	20%	0.204	S	C	.	.	S	Bend	trans	-90.8	141.6	175.2	-68.1	-165.6	147.5	0	0	112.1	R752 Y772 Y790 N791	R752-E770 IonicContact NH2-OE1 2.58Å; R752-E770 PolarHBondContact NH2-OE1 3.43Å; R752-E770 VanDerWaalsContact NH2-OE1 3.16Å; E770-Y772 PolarHBondContact O-N 3.27Å; E770-Y790 WeakPolarHBondContact O-CA 3.32Å; E770-N791 PolarHBondContact O-N 2.95Å
771	L	92.1	Very high	91.1	Very high	21 Å²	21	44.7 Å²	44.7	11%	0.11	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-68.6	127.8	171.6	-81.7	169.7	0	0	0	111.7	L746 L755 V773 L788 Y790	L746-L771 HydrophobicContact CD2-CD1 4.15Å; L755-L771 HydrophobicContact CB-CD1 3.69Å; L755-L771 HydrophobicContact CD1-CD1 3.96Å; L755-L771 HydrophobicContact CG-CD1 4.5Å; L771-V773 HydrophobicContact CB-CG2 4.12Å; L771-V773 PolarHBondContact O-N 2.94Å; L771-L788 HydrophobicContact CD2-CB 4.18Å; L771-L788 HydrophobicContact CD2-CD2 4.48Å; L771-Y790 HydrophobicContact CD2-CD1 3.93Å; L771-Y790 HydrophobicContact CD2-CD2 4.21Å; L771-Y790 HydrophobicContact CD2-CE1 3.48Å; L771-Y790 VanDerWaalsContact CD2-CE1 3.48Å; L771-Y790 HydrophobicContact CD2-CE2 3.78Å; L771-Y790 HydrophobicContact CD2-CG 4.28Å; L771-Y790 VanDerWaalsContact CD2-CZ 3.41Å; L771-Y790 HydrophobicContact CG-CD1 4.15Å; L771-Y790 HydrophobicContact CG-CE1 3.61Å
772	Y	92.6	Very high	90.5	Very high	92 Å²	92	51.4 Å²	51.4	36%	0.361	25%	0.251	S	S	.	.			trans	-81.9	73.9	164.1	-158	155.8	0	0	0	109.6	E770 E774 K775 C776 V789 N791	E770-Y772 PolarHBondContact O-N 3.27Å; Y772-E774 HydrophobicContact CD2-CB 4.18Å; Y772-E774 HydrophobicContact CE2-CB 4Å; Y772-E774 HydrophobicContact CE2-CG 4.44Å; Y772-E774 PolarHBondContact O-N 3.03Å; Y772-E774 VanDerWaalsContact O-N 3.08Å; Y772-K775 HydrophobicContact CD1-CD 3.67Å; Y772-K775 HydrophobicContact CD1-CG 4.11Å; Y772-K775 HydrophobicContact CD2-CB 4.43Å; Y772-K775 HydrophobicContact CD2-CG 4.09Å; Y772-K775 HydrophobicContact CE1-CD 3.8Å; Y772-K775 VanDerWaalsContact CE1-CE 3.49Å; Y772-K775 HydrophobicContact CE1-CG 4.24Å; Y772-K775 HydrophobicContact CE2-CG 4.23Å; Y772-K775 HydrophobicContact CG-CB 4.26Å; Y772-K775 HydrophobicContact CG-CD 4.08Å; Y772-K775 HydrophobicContact CG-CG 4.04Å; Y772-K775 PolarHBondContact O-N 2.98Å; Y772-C776 PolarHBondContact O-N 2.8Å; Y772-C776 PolarHBondContact O-SG 2.78Å; Y772-V789 PolarHBondContact N-O 3.27Å; Y772-N791 WeakPolarHBondContact CB-OD1 3.09Å; Y772-N791 WeakPolarHBondContact CD1-OD1 3.31Å
773	V	93.9	Very high	90.1	Very high	20 Å²	20	51.7 Å²	51.7	12%	0.121	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-49.4	-41.9	-172.5	179.6	0	0	0	0	113	H743 L746 K747 L771 K775 C776	H743-V773 HydrophobicContact CB-CG1 3.99Å; H743-V773 PolarHBondContact CE1-O 3.39Å; H743-V773 PolarHBondContact NE2-O 3.29Å; L746-V773 HydrophobicContact CB-CG1 4.03Å; L746-V773 HydrophobicContact CB-CG2 4.22Å; L746-V773 HydrophobicContact CD1-CG1 4.3Å; K747-V773 HydrophobicContact CG-CG1 4.3Å; L771-V773 HydrophobicContact CB-CG2 4.12Å; L771-V773 PolarHBondContact O-N 2.94Å; V773-K775 PolarHBondContact O-N 3.28Å; V773-C776 VanDerWaalsContact O-CB 3.28Å; V773-C776 WeakPolarHBondContact O-CB 3.42Å; V773-C776 PolarHBondContact O-N 3.07Å
774	E	93	Very high	90	Very high	100 Å²	100	51.5 Å²	51.5	47%	0.467	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-61.6	-29.6	-178.2	-55.8	-55.1	148	0	0	113.5	H743 K747 Y772	H743-E774 IonicContact ND1-OE2 3.68Å; K747-E774 WeakPolarHBondContact CE-OE1 3.46Å; K747-E774 IonicContact NZ-OE1 2.8Å; K747-E774 PolarHBondContact NZ-OE1 2.95Å; Y772-E774 HydrophobicContact CD2-CB 4.18Å; Y772-E774 HydrophobicContact CE2-CB 4Å; Y772-E774 HydrophobicContact CE2-CG 4.44Å; Y772-E774 PolarHBondContact O-N 3.03Å; Y772-E774 VanDerWaalsContact O-N 3.08Å
775	K	92.1	Very high	90.2	Very high	109 Å²	109	51 Å²	51	47%	0.474	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-87	-14	175	-68.8	-170.1	177.5	179.1	0	113.2	Y772 V773 V789	Y772-K775 HydrophobicContact CD1-CD 3.67Å; Y772-K775 HydrophobicContact CD1-CG 4.11Å; Y772-K775 HydrophobicContact CD2-CB 4.43Å; Y772-K775 HydrophobicContact CD2-CG 4.09Å; Y772-K775 HydrophobicContact CE1-CD 3.8Å; Y772-K775 VanDerWaalsContact CE1-CE 3.49Å; Y772-K775 HydrophobicContact CE1-CG 4.24Å; Y772-K775 HydrophobicContact CE2-CG 4.23Å; Y772-K775 HydrophobicContact CG-CB 4.26Å; Y772-K775 HydrophobicContact CG-CD 4.08Å; Y772-K775 HydrophobicContact CG-CG 4.04Å; Y772-K775 PolarHBondContact O-N 2.98Å; V773-K775 PolarHBondContact O-N 3.28Å; K775-V789 HydrophobicContact CB-CB 3.97Å; K775-V789 HydrophobicContact CB-CG1 4.19Å; K775-V789 HydrophobicContact CB-CG2 3.93Å; K775-V789 HydrophobicContact CD-CG1 4.26Å
776	C	94.8	Very high	90.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.244	C	C	.	.			trans	-68.6	143	175	-60.8	0	0	0	0	111.1	M742 H743 L746 Y772 V773 W787 V789	M742-C776 HydrophobicContact CE-CB 4.09Å; H743-C776 PolarHBondContact NE2-O 3.3Å; L746-C776 HydrophobicContact CD1-CB 4.04Å; Y772-C776 PolarHBondContact O-N 2.8Å; Y772-C776 PolarHBondContact O-SG 2.78Å; V773-C776 VanDerWaalsContact O-CB 3.28Å; V773-C776 WeakPolarHBondContact O-CB 3.42Å; V773-C776 PolarHBondContact O-N 3.07Å; C776-W787 CarbonylContact C-O 3.5Å; C776-W787 VanDerWaalsContact CA-O 3.24Å; C776-W787 WeakPolarHBondContact CA-O 3.38Å; C776-W787 WeakPolarHBondContact CB-O 3.4Å; C776-V789 PolarHBondContact SG-N 3.11Å; C776-V789 VanDerWaalsContact SG-N 3.4Å
777	K	94.3	Very high	90.9	Very high	94 Å²	94	52.5 Å²	52.5	41%	0.409	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	173.8	179.3	62.6	-176.3	179.6	-177.9	0	110.7	W787	K777-W787 HydrophobicContact CG-CB 3.69Å; K777-W787 HydrophobicContact CG-CG 3.96Å; K777-W787 PolarHBondContact N-O 3.35Å; K777-W787 WeakPolarHBondContact O-CA 3.38Å; K777-W787 WeakPolarHBondContact O-CB 3.19Å; K777-W787 PolarHBondContact O-N 3.48Å
778	Y	93.1	Very high	91.3	Very high	12 Å²	12	49.6 Å²	49.6	5%	0.047	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	148.8	163.9	64.4	-88.7	0	0	0	109.8	I726 R735 K739 M742 K784 P785	I726-Y778 HydrophobicContact CG2-CD1 3.83Å; I726-Y778 HydrophobicContact CG2-CD2 3.95Å; I726-Y778 HydrophobicContact CG2-CE1 4.23Å; I726-Y778 HydrophobicContact CG2-CE2 4.33Å; I726-Y778 HydrophobicContact CG2-CG 3.67Å; R735-Y778 WeakPolarHBondContact CA-OH 3.41Å; R735-Y778 PolarHBondContact O-OH 2.89Å; K739-Y778 HydrophobicContact CB-CE1 4.48Å; M742-Y778 HydrophobicContact SD-CD1 4.11Å; Y778-K784 HydrophobicContact CD2-CB 4.31Å; Y778-K784 HydrophobicContact CD2-CD 4.13Å; Y778-K784 HydrophobicContact CE2-CD 4.29Å; Y778-P785 CarbonylContact C-O 3.55Å; Y778-P785 VanDerWaalsContact CA-O 3.26Å; Y778-P785 WeakPolarHBondContact CA-O 3.26Å
779	M	89.8	Confident	91.4	Very high	73 Å²	73	49.7 Å²	49.7	36%	0.36	23%	0.234	S	C	.	.			trans	-87.2	159.4	-176.7	-47.7	176.5	72.3	0	0	111.8	S781 P785 W787 I803	M779-S781 PolarHBondContact O-N 2.94Å; M779-P785 HydrophobicContact CB-CG 3.78Å; M779-P785 HydrophobicContact CG-CG 3.94Å; M779-P785 PolarHBondContact N-O 3.35Å; M779-P785 HydrophobicContact SD-CG 3.76Å; M779-W787 HydrophobicContact SD-CE3 4.31Å; M779-I803 HydrophobicContact SD-CD1 4.21Å; M779-I803 HydrophobicContact SD-CG2 4.42Å
780	D	84.1	Confident	91.6	Very high	89 Å²	89	49.7 Å²	49.7	48%	0.476	23%	0.233	S	C	.	.	S	Bend	trans	-76.6	-8.6	-174.1	-63.5	-48.2	0	0	0	114.7	R735 K784	R735-D780 IonicContact CZ-OD1 3.4Å; R735-D780 IonicContact CZ-OD2 2.57Å; R735-D780 IonicContact NE-OD1 2.68Å; R735-D780 PolarHBondContact NE-OD1 2.89Å; R735-D780 VanDerWaalsContact NH1-CG 3.25Å; R735-D780 IonicContact NH1-OD1 3.25Å; R735-D780 PolarHBondContact NH1-OD1 3.16Å; R735-D780 VanDerWaalsContact NH1-OD1 3.09Å; R735-D780 IonicContact NH1-OD2 3.7Å; R735-D780 PolarHBondContact NH1-OD2 3.12Å; R735-D780 VanDerWaalsContact NH2-CG 3.26Å; R735-D780 IonicContact NH2-OD1 2.93Å; R735-D780 PolarHBondContact NH2-OD1 2.74Å; R735-D780 VanDerWaalsContact NH2-OD1 3.13Å; R735-D780 IonicContact NH2-OD2 3.63Å; R735-D780 PolarHBondContact NH2-OD2 3.34Å; D780-K784 PolarHBondContact O-NZ 2.99Å
781	S	83.1	Confident	91.4	Very high	59 Å²	59	48.9 Å²	48.9	41%	0.413	23%	0.231	S	C	.	.	S	Bend	trans	-52.3	158.2	177.2	-178.2	0	0	0	0	112.8	M779 M783 K784	M779-S781 PolarHBondContact O-N 2.94Å; S781-M783 PolarHBondContact O-N 3.31Å; S781-M783 VanDerWaalsContact O-N 3.12Å; S781-K784 VanDerWaalsContact O-CD 3.3Å; S781-K784 WeakPolarHBondContact O-CD 3.41Å; S781-K784 WeakPolarHBondContact O-CE 3.48Å; S781-K784 PolarHBondContact O-N 3.25Å; S781-K784 PolarHBondContact O-NZ 3.03Å
782	K	83.2	Confident	90.4	Very high	148 Å²	148	49.8 Å²	49.8	64%	0.643	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-39.6	-178.7	-176.5	-178.2	175.6	-172.1	0	112.4
783	M	87	Confident	88.8	Confident	27 Å²	27	51.3 Å²	51.3	13%	0.133	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	2	-177.2	-58.9	-51.5	175.5	0	0	114.4	N723 K727 S781	N723-M783 PolarHBondContact ND2-O 3.44Å; K727-M783 WeakPolarHBondContact CE-O 3.29Å; S781-M783 PolarHBondContact O-N 3.31Å; S781-M783 VanDerWaalsContact O-N 3.12Å
784	K	90.8	Very high	87	Confident	48 Å²	48	51.9 Å²	51.9	21%	0.209	25%	0.248	C	C	.	.			trans	45.9	53.1	179	-52.8	-61.6	170.3	-165	0	113.5	N723 I726 K727 A730 Y778 D780 S781	N723-K784 PolarHBondContact ND2-O 3.14Å; I726-K784 HydrophobicContact CG2-CB 4.24Å; K727-K784 HydrophobicContact CG-CB 4.34Å; K727-K784 HydrophobicContact CG-CG 4.45Å; A730-K784 HydrophobicContact CB-CD 4.42Å; A730-K784 HydrophobicContact CB-CG 4.37Å; Y778-K784 HydrophobicContact CD2-CB 4.31Å; Y778-K784 HydrophobicContact CD2-CD 4.13Å; Y778-K784 HydrophobicContact CE2-CD 4.29Å; D780-K784 PolarHBondContact O-NZ 2.99Å; S781-K784 VanDerWaalsContact O-CD 3.3Å; S781-K784 WeakPolarHBondContact O-CD 3.41Å; S781-K784 WeakPolarHBondContact O-CE 3.48Å; S781-K784 PolarHBondContact O-N 3.25Å; S781-K784 PolarHBondContact O-NZ 3.03Å
785	P	94.4	Very high	84.8	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.019	25%	0.252	C	S	.	.			trans	-59.8	145.8	-177.4	26.6	-33.1	0	0	0	111.1	Y778 M779 I803 F804 K805	Y778-P785 CarbonylContact C-O 3.55Å; Y778-P785 VanDerWaalsContact CA-O 3.26Å; Y778-P785 WeakPolarHBondContact CA-O 3.26Å; M779-P785 HydrophobicContact CB-CG 3.78Å; M779-P785 HydrophobicContact CG-CG 3.94Å; M779-P785 PolarHBondContact N-O 3.35Å; M779-P785 HydrophobicContact SD-CG 3.76Å; P785-I803 HydrophobicContact CB-CG2 3.91Å; P785-F804 CarbonylContact C-O 3.57Å; P785-F804 WeakPolarHBondContact CA-O 3.27Å; P785-F804 WeakPolarHBondContact CB-O 3.44Å; P785-K805 HydrophobicContact CB-CB 4.18Å; P785-K805 HydrophobicContact CB-CG 4.07Å
786	L	96.6	Very high	82.7	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	131.5	-178.9	-52.4	-179.7	0	0	0	109.1	L719 L722 N723 I726 M742 L788 I803 F804	L719-L786 HydrophobicContact CD2-CD1 4.09Å; L722-L786 HydrophobicContact CB-CD1 4.21Å; L722-L786 HydrophobicContact CD2-CD1 3.89Å; L722-L786 HydrophobicContact CG-CD1 3.95Å; N723-L786 HydrophobicContact CB-CD1 4.07Å; N723-L786 HydrophobicContact CB-CD2 4.47Å; N723-L786 HydrophobicContact CB-CG 4.18Å; I726-L786 HydrophobicContact CG1-CD2 4.25Å; M742-L786 HydrophobicContact CE-CB 4.47Å; M742-L786 HydrophobicContact CE-CD2 4.2Å; M742-L786 HydrophobicContact SD-CD2 4.46Å; L786-L788 HydrophobicContact CB-CD2 4.47Å; L786-I803 CarbonylContact O-C 3.57Å; L786-I803 WeakPolarHBondContact O-CA 3.44Å; L786-F804 HydrophobicContact CB-CB 4.34Å; L786-F804 HydrophobicContact CD1-CD1 4.04Å; L786-F804 HydrophobicContact CG-CD1 4.32Å; L786-F804 PolarHBondContact N-O 2.8Å; L786-F804 PolarHBondContact O-N 3.45Å
787	W	96.4	Very high	80.9	Confident	60 Å²	60	55.3 Å²	55.3	23%	0.227	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	109.6	172.4	-177.6	-70.8	0	0	0	108.1	C776 K777 M779 I803 V853	C776-W787 CarbonylContact C-O 3.5Å; C776-W787 VanDerWaalsContact CA-O 3.24Å; C776-W787 WeakPolarHBondContact CA-O 3.38Å; C776-W787 WeakPolarHBondContact CB-O 3.4Å; K777-W787 HydrophobicContact CG-CB 3.69Å; K777-W787 HydrophobicContact CG-CG 3.96Å; K777-W787 PolarHBondContact N-O 3.35Å; K777-W787 WeakPolarHBondContact O-CA 3.38Å; K777-W787 WeakPolarHBondContact O-CB 3.19Å; K777-W787 PolarHBondContact O-N 3.48Å; M779-W787 HydrophobicContact SD-CE3 4.31Å; W787-I803 HydrophobicContact CD2-CG1 4.35Å; W787-I803 HydrophobicContact CE3-CD1 3.69Å; W787-I803 HydrophobicContact CE3-CG1 3.69Å; W787-I803 HydrophobicContact CZ3-CD1 3.67Å; W787-I803 HydrophobicContact CZ3-CG1 4.11Å; W787-V853 HydrophobicContact CD2-CG2 4.13Å; W787-V853 HydrophobicContact CE3-CG2 4.16Å; W787-V853 HydrophobicContact CH2-CB 4.27Å; W787-V853 HydrophobicContact CH2-CG1 3.43Å; W787-V853 VanDerWaalsContact CH2-CG1 3.43Å; W787-V853 HydrophobicContact CH2-CG2 3.84Å; W787-V853 HydrophobicContact CZ2-CB 4.2Å; W787-V853 HydrophobicContact CZ2-CG1 3.26Å; W787-V853 HydrophobicContact CZ2-CG2 3.81Å; W787-V853 HydrophobicContact CZ3-CG1 4.37Å; W787-V853 HydrophobicContact CZ3-CG2 4.01Å
788	L	96.2	Very high	79.7	Confident	1 Å²	1	56 Å²	56	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	137	-176.9	-54.3	169.8	0	0	0	108.8	L719 M742 L771 L786 Y790 G801 V802	L719-L788 HydrophobicContact CD1-CD1 3.75Å; L719-L788 HydrophobicContact CD2-CD1 3.48Å; L719-L788 VanDerWaalsContact CD2-CD1 3.48Å; L719-L788 HydrophobicContact CD2-CD2 4.17Å; L719-L788 HydrophobicContact CD2-CG 4.41Å; L719-L788 HydrophobicContact CG-CD1 4.27Å; M742-L788 HydrophobicContact CE-CD2 4.41Å; L771-L788 HydrophobicContact CD2-CB 4.18Å; L771-L788 HydrophobicContact CD2-CD2 4.48Å; L786-L788 HydrophobicContact CB-CD2 4.47Å; L788-Y790 HydrophobicContact CB-CE2 3.95Å; L788-G801 CarbonylContact O-C 3.49Å; L788-G801 VanDerWaalsContact O-CA 3.31Å; L788-G801 WeakPolarHBondContact O-CA 3.48Å; L788-V802 WeakPolarHBondContact CB-O 3.49Å; L788-V802 PolarHBondContact N-O 3.4Å; L788-V802 PolarHBondContact O-N 3.38Å
789	V	94.1	Very high	79.3	Confident	8 Å²	8	57.3 Å²	57.3	5%	0.048	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	128.6	177.8	-175.8	0	0	0	0	108	Y772 K775 C776	Y772-V789 PolarHBondContact N-O 3.27Å; K775-V789 HydrophobicContact CB-CB 3.97Å; K775-V789 HydrophobicContact CB-CG1 4.19Å; K775-V789 HydrophobicContact CB-CG2 3.93Å; K775-V789 HydrophobicContact CD-CG1 4.26Å; C776-V789 PolarHBondContact SG-N 3.11Å; C776-V789 VanDerWaalsContact SG-N 3.4Å
790	Y	92.1	Very high	79.2	Confident	6 Å²	6	55.9 Å²	55.9	2%	0.024	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	137.9	179.9	-71.1	-87.6	0	0	0	109.9	L755 L768 E770 L771 L788 S799 V800	L755-Y790 WeakPolarHBondContact O-CE1 3.13Å; L755-Y790 PolarHBondContact O-OH 2.91Å; L755-Y790 VanDerWaalsContact O-OH 3.08Å; L768-Y790 HydrophobicContact CB-CD1 3.79Å; L768-Y790 HydrophobicContact CB-CD2 4.4Å; L768-Y790 HydrophobicContact CB-CE1 3.75Å; L768-Y790 HydrophobicContact CB-CE2 4.38Å; L768-Y790 HydrophobicContact CB-CG 4.11Å; L768-Y790 HydrophobicContact CD1-CE2 4.08Å; L768-Y790 HydrophobicContact CD2-CD2 3.9Å; L768-Y790 HydrophobicContact CD2-CE2 4.21Å; L768-Y790 HydrophobicContact CD2-CG 4.14Å; L768-Y790 HydrophobicContact CG-CE2 4.46Å; E770-Y790 WeakPolarHBondContact O-CA 3.32Å; L771-Y790 HydrophobicContact CD2-CD1 3.93Å; L771-Y790 HydrophobicContact CD2-CD2 4.21Å; L771-Y790 HydrophobicContact CD2-CE1 3.48Å; L771-Y790 VanDerWaalsContact CD2-CE1 3.48Å; L771-Y790 HydrophobicContact CD2-CE2 3.78Å; L771-Y790 HydrophobicContact CD2-CG 4.28Å; L771-Y790 VanDerWaalsContact CD2-CZ 3.41Å; L771-Y790 HydrophobicContact CG-CD1 4.15Å; L771-Y790 HydrophobicContact CG-CE1 3.61Å; L788-Y790 HydrophobicContact CB-CE2 3.95Å; Y790-S799 WeakPolarHBondContact O-CA 2.85Å; Y790-S799 VanDerWaalsContact O-CB 3.29Å; Y790-S799 WeakPolarHBondContact O-CB 3.28Å; Y790-V800 PolarHBondContact N-O 3.46Å; Y790-V800 PolarHBondContact O-N 3.48Å; Y790-V800 VanDerWaalsContact O-N 3.09Å
791	N	85.9	Confident	79.7	Confident	57 Å²	57	51.9 Å²	51.9	31%	0.305	28%	0.281	S	S	.	.			trans	-67.5	141.7	167.9	-70.2	-28	0	0	0	108.7	S769 E770 Y772	S769-N791 PolarHBondContact OG-O 3.32Å; E770-N791 PolarHBondContact O-N 2.95Å; Y772-N791 WeakPolarHBondContact CB-OD1 3.09Å; Y772-N791 WeakPolarHBondContact CD1-OD1 3.31Å
792	N	70.9	Confident	80.3	Confident	39 Å²	39	49.3 Å²	49.3	21%	0.209	26%	0.263	C	S	.	.			trans	-90.5	119.7	162.4	-162.1	-17.9	0	0	0	106.5	V794 E797	N792-V794 PolarHBondContact O-N 3.29Å; N792-V794 PolarHBondContact OD1-N 3.06Å; N792-E797 WeakPolarHBondContact ND2-CB 3.32Å; N792-E797 PolarHBondContact ND2-OE2 3.02Å
793	K	60.2	Low	81	Confident	125 Å²	125	43.1 Å²	43.1	54%	0.543	24%	0.237	S	C	.	.			trans	-71.7	-6.7	-177.5	-86.6	176.7	-176.6	168.3	0	112.4	D757	D757-K793 IonicContact OD1-NZ 3.29Å; D757-K793 PolarHBondContact OD1-NZ 2.89Å; D757-K793 IonicContact OD2-NZ 2.78Å; D757-K793 PolarHBondContact OD2-NZ 3.06Å
794	V	54.5	Low	81.5	Confident	32 Å²	32	42 Å²	42	19%	0.194	23%	0.231	C	C	.	.	S	Bend	trans	-112.4	143.7	-173.7	-158.7	0	0	0	0	112	S251 N792 G796	S251-V794 WeakPolarHBondContact OG-CG1 3.29Å; N792-V794 PolarHBondContact O-N 3.29Å; N792-V794 PolarHBondContact OD1-N 3.06Å; V794-G796 PolarHBondContact O-N 3.18Å
795	F	47.2	Very low	81.7	Confident	128 Å²	128	41 Å²	41	56%	0.561	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-43.3	120.4	-171.5	-66.1	-85.5	0	0	0	114.3	E797	F795-E797 PolarHBondContact O-N 3.43Å
796	G	49.1	Very low	81.6	Confident	88 Å²	88	41.6 Å²	41.6	91%	0.907	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.1	-2.6	158	0	0	0	0	0	117.9	V794	V794-G796 PolarHBondContact O-N 3.18Å
797	E	56.9	Low	81.1	Confident	65 Å²	65	42.1 Å²	42.1	30%	0.304	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-90.7	146.3	175.4	-84.1	-165.6	161.8	0	0	113.2	N792 F795	N792-E797 WeakPolarHBondContact ND2-CB 3.32Å; N792-E797 PolarHBondContact ND2-OE2 3.02Å; F795-E797 PolarHBondContact O-N 3.43Å
798	D	67.7	Low	80.7	Confident	108 Å²	108	41.6 Å²	41.6	58%	0.578	24%	0.237	S	C	*	.	P	Polyproline II helix	trans	-59.2	149.6	178.8	-74.3	-40.5	0	0	0	112.5
799	S	85.1	Confident	80.3	Confident	40 Å²	40	43.9 Å²	43.9	28%	0.28	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-56.6	140.8	172.3	56	0	0	0	0	111.6	Y790 S855	Y790-S799 WeakPolarHBondContact O-CA 2.85Å; Y790-S799 VanDerWaalsContact O-CB 3.29Å; Y790-S799 WeakPolarHBondContact O-CB 3.28Å; S799-S855 PolarHBondContact O-OG 3Å
800	V	88.6	Confident	80.3	Confident	42 Å²	42	43.6 Å²	43.6	26%	0.255	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	129.6	175.4	178.5	0	0	0	0	109.4	V766 L768 Y790	V766-V800 HydrophobicContact CG1-CG1 4.19Å; V766-V800 HydrophobicContact CG1-CG2 4.19Å; L768-V800 HydrophobicContact CD2-CG1 3.96Å; Y790-V800 PolarHBondContact N-O 3.46Å; Y790-V800 PolarHBondContact O-N 3.48Å; Y790-V800 VanDerWaalsContact O-N 3.09Å
801	G	93	Very high	80.4	Confident	5 Å²	5	44.9 Å²	44.9	5%	0.052	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	141.8	176.3	0	0	0	0	0	112.6	L788 V853	L788-G801 CarbonylContact O-C 3.49Å; L788-G801 VanDerWaalsContact O-CA 3.31Å; L788-G801 WeakPolarHBondContact O-CA 3.48Å; G801-V853 VanDerWaalsContact C-CG2 3.46Å; G801-V853 WeakPolarHBondContact O-CB 3.22Å; G801-V853 PolarHBondContact O-N 3.48Å
802	V	96.3	Very high	80.7	Confident	5 Å²	5	42.8 Å²	42.8	3%	0.03	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	133.5	176.7	-179.5	0	0	0	0	109.4	L762 L768 L788 L850	L762-V802 HydrophobicContact CD1-CG1 4.07Å; L762-V802 HydrophobicContact CD1-CG2 4.44Å; L768-V802 HydrophobicContact CD2-CG2 4.25Å; L788-V802 WeakPolarHBondContact CB-O 3.49Å; L788-V802 PolarHBondContact N-O 3.4Å; L788-V802 PolarHBondContact O-N 3.38Å; V802-L850 HydrophobicContact CG1-CB 4.29Å; V802-L850 HydrophobicContact CG1-CD2 3.77Å; V802-L850 HydrophobicContact CG1-CG 4.44Å
803	I	97.6	Very high	81.8	Confident	19 Å²	19	41.4 Å²	41.4	10%	0.097	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	122	170.9	-58.3	171.4	0	0	0	108.5	M779 P785 L786 W787 L850 I851 V853	M779-I803 HydrophobicContact SD-CD1 4.21Å; M779-I803 HydrophobicContact SD-CG2 4.42Å; P785-I803 HydrophobicContact CB-CG2 3.91Å; L786-I803 CarbonylContact O-C 3.57Å; L786-I803 WeakPolarHBondContact O-CA 3.44Å; W787-I803 HydrophobicContact CD2-CG1 4.35Å; W787-I803 HydrophobicContact CE3-CD1 3.69Å; W787-I803 HydrophobicContact CE3-CG1 3.69Å; W787-I803 HydrophobicContact CZ3-CD1 3.67Å; W787-I803 HydrophobicContact CZ3-CG1 4.11Å; I803-L850 CarbonylContact O-C 3.51Å; I803-L850 VanDerWaalsContact O-CA 3.3Å; I803-L850 WeakPolarHBondContact O-CA 3.25Å; I803-I851 HydrophobicContact CB-CB 4.17Å; I803-I851 PolarHBondContact N-O 3.13Å; I803-I851 PolarHBondContact O-N 3.28Å; I803-V853 HydrophobicContact CD1-CG2 4.1Å; I803-V853 HydrophobicContact CG1-CG2 3.62Å
804	F	97.8	Very high	83.5	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.009	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	124.2	167.7	174.2	-98.7	0	0	0	110.2	L716 L719 K720 N723 P785 L786 N806 L850	L716-F804 HydrophobicContact CD2-CD2 3.95Å; L716-F804 HydrophobicContact CD2-CE2 3.86Å; L719-F804 VanDerWaalsContact C-CE1 3.44Å; L719-F804 HydrophobicContact CB-CB 4.4Å; L719-F804 HydrophobicContact CB-CD1 3.71Å; L719-F804 HydrophobicContact CB-CD2 3.95Å; L719-F804 HydrophobicContact CB-CE1 3.84Å; L719-F804 HydrophobicContact CB-CE2 4.09Å; L719-F804 HydrophobicContact CB-CG 3.75Å; L719-F804 HydrophobicContact CB-CZ 4.03Å; L719-F804 HydrophobicContact CD1-CB 4.01Å; L719-F804 HydrophobicContact CD1-CD2 4.08Å; L719-F804 HydrophobicContact CD1-CG 4.05Å; L719-F804 HydrophobicContact CG-CG 4.46Å; L719-F804 WeakPolarHBondContact O-CE1 3.49Å; K720-F804 HydrophobicContact CB-CZ 4.1Å; N723-F804 HydrophobicContact CB-CD1 4.27Å; N723-F804 HydrophobicContact CB-CE1 3.91Å; P785-F804 CarbonylContact C-O 3.57Å; P785-F804 WeakPolarHBondContact CA-O 3.27Å; P785-F804 WeakPolarHBondContact CB-O 3.44Å; L786-F804 HydrophobicContact CB-CB 4.34Å; L786-F804 HydrophobicContact CD1-CD1 4.04Å; L786-F804 HydrophobicContact CG-CD1 4.32Å; L786-F804 PolarHBondContact N-O 2.8Å; L786-F804 PolarHBondContact O-N 3.45Å; F804-N806 HydrophobicContact CE1-CB 3.76Å; F804-N806 HydrophobicContact CZ-CB 3.96Å; F804-L850 HydrophobicContact CB-CD2 3.97Å; F804-L850 HydrophobicContact CD2-CD2 3.77Å; F804-L850 HydrophobicContact CG-CD2 4.38Å
805	K	95.4	Very high	85.5	Confident	28 Å²	28	34.3 Å²	34.3	12%	0.122	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	130.1	-178.3	-164.2	173.4	-167.5	-152.4	0	109.2	P785 D808 L810 S848 G849 I851	P785-K805 HydrophobicContact CB-CB 4.18Å; P785-K805 HydrophobicContact CB-CG 4.07Å; K805-D808 HydrophobicContact CD-CB 4.42Å; K805-D808 WeakPolarHBondContact CE-OD2 3.33Å; K805-D808 IonicContact NZ-OD2 2.68Å; K805-D808 PolarHBondContact NZ-OD2 3.44Å; K805-L810 HydrophobicContact CB-CD1 4.26Å; K805-L810 HydrophobicContact CD-CD2 4.1Å; K805-S848 WeakPolarHBondContact O-CA 3.27Å; K805-G849 PolarHBondContact N-O 3.41Å; K805-G849 PolarHBondContact O-N 2.78Å; K805-I851 HydrophobicContact CD-CD1 4.41Å
806	N	92.2	Very high	87.8	Confident	16 Å²	16	28.3 Å²	28.3	9%	0.086	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	122.9	179.1	175.3	30.1	0	0	0	108.3	K727 F804 R847	K727-N806 PolarHBondContact NZ-O 3.14Å; F804-N806 HydrophobicContact CE1-CB 3.76Å; F804-N806 HydrophobicContact CZ-CB 3.96Å; N806-R847 CarbonylContact C-O 3.6Å; N806-R847 WeakPolarHBondContact CA-O 3.37Å
807	G	86.5	Confident	90.1	Very high	10 Å²	10	24.1 Å²	24.1	10%	0.103	13%	0.131	C	C	.	.	S	Bend	trans	121.6	-12.4	-177.4	0	0	0	0	0	115.5	R847	G807-R847 PolarHBondContact N-O 2.76Å
808	D	87.8	Confident	92	Very high	50 Å²	50	21.5 Å²	21.5	27%	0.267	12%	0.118	S	C	.	.	S	Bend	trans	-121.5	144.7	177.3	-66.3	-28.5	0	0	0	110	K805 L810 R847	K805-D808 HydrophobicContact CD-CB 4.42Å; K805-D808 WeakPolarHBondContact CE-OD2 3.33Å; K805-D808 IonicContact NZ-OD2 2.68Å; K805-D808 PolarHBondContact NZ-OD2 3.44Å; D808-L810 PolarHBondContact O-N 3.11Å; D808-R847 PolarHBondContact N-O 3.31Å; D808-R847 CarbonylContact O-C 3.57Å; D808-R847 VanDerWaalsContact O-CA 3.27Å; D808-R847 WeakPolarHBondContact O-CA 3.46Å; D808-R847 VanDerWaalsContact O-O 3.11Å
809	D	88.6	Confident	93.4	Very high	49 Å²	49	16.3 Å²	16.3	26%	0.262	9%	0.091	S	C	.	.			trans	-78.9	108.4	176	-172.6	-5.3	0	0	0	110.5	R811 R847	D809-R811 VanDerWaalsContact C-N 3.33Å; D809-R811 VanDerWaalsContact OD1-CB 3.32Å; D809-R811 WeakPolarHBondContact OD1-CB 3.43Å; D809-R811 VanDerWaalsContact OD1-CG 3.31Å; D809-R811 WeakPolarHBondContact OD1-CG 3.4Å; D809-R811 IonicContact OD1-CZ 2.67Å; D809-R811 PolarHBondContact OD1-N 3.26Å; D809-R811 IonicContact OD1-NE 3.07Å; D809-R811 PolarHBondContact OD1-NE 3.44Å; D809-R811 IonicContact OD1-NH2 2.64Å; D809-R811 IonicContact OD2-CZ 3.69Å; D809-R811 IonicContact OD2-NE 3.16Å; D809-R811 PolarHBondContact OD2-NE 3.33Å; D809-R811 IonicContact OD2-NH2 2.78Å; D809-R811 PolarHBondContact OD2-NH2 2.73Å; D809-R847 HydrophobicContact CB-CG 4.43Å
810	L	93.6	Very high	94	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-2.1	-178	-72.3	-179	0	0	0	114.1	K805 D808 Q812 D813 M814 A843 I851	K805-L810 HydrophobicContact CB-CD1 4.26Å; K805-L810 HydrophobicContact CD-CD2 4.1Å; D808-L810 PolarHBondContact O-N 3.11Å; L810-Q812 PolarHBondContact O-N 3.16Å; L810-D813 PolarHBondContact O-N 2.9Å; L810-M814 WeakPolarHBondContact O-CB 3.44Å; L810-M814 PolarHBondContact O-N 3.01Å; L810-A843 HydrophobicContact CB-CB 4.41Å; L810-I851 HydrophobicContact CD1-CG1 4.23Å; L810-I851 HydrophobicContact CD2-CD1 3.99Å; L810-I851 HydrophobicContact CD2-CG1 4.4Å
811	R	93.9	Very high	94.4	Very high	33 Å²	33	15.8 Å²	15.8	13%	0.125	8%	0.078	C	C	.	.	H	α-helix	trans	-65.2	-30.4	-178.9	-64.9	177.1	-63.3	155.6	7	112.1	E681 D809 M814 L815 A843 A1010 L1012	E681-R811 IonicContact OE1-NH1 3.48Å; E681-R811 PolarHBondContact OE1-NH1 2.93Å; E681-R811 IonicContact OE2-NH1 2.73Å; D809-R811 VanDerWaalsContact C-N 3.33Å; D809-R811 VanDerWaalsContact OD1-CB 3.32Å; D809-R811 WeakPolarHBondContact OD1-CB 3.43Å; D809-R811 VanDerWaalsContact OD1-CG 3.31Å; D809-R811 WeakPolarHBondContact OD1-CG 3.4Å; D809-R811 IonicContact OD1-CZ 2.67Å; D809-R811 PolarHBondContact OD1-N 3.26Å; D809-R811 IonicContact OD1-NE 3.07Å; D809-R811 PolarHBondContact OD1-NE 3.44Å; D809-R811 IonicContact OD1-NH2 2.64Å; D809-R811 IonicContact OD2-CZ 3.69Å; D809-R811 IonicContact OD2-NE 3.16Å; D809-R811 PolarHBondContact OD2-NE 3.33Å; D809-R811 IonicContact OD2-NH2 2.78Å; D809-R811 PolarHBondContact OD2-NH2 2.73Å; R811-M814 HydrophobicContact CG-CE 4.38Å; R811-M814 PolarHBondContact O-N 3.25Å; R811-L815 WeakPolarHBondContact O-CB 3.49Å; R811-L815 PolarHBondContact O-N 3.05Å; R811-A843 HydrophobicContact CG-CB 3.69Å; R811-A1010 PolarHBondContact NH1-O 2.98Å; R811-L1012 HydrophobicContact CB-CD2 3.63Å
812	Q	91.9	Very high	94.6	Very high	13 Å²	13	15.7 Å²	15.7	6%	0.061	8%	0.076	C	C	.	.	H	α-helix	trans	-68.8	-45.8	175.1	-177.7	170	-35.8	0	0	112.4	L810 M814 L815 T816 F938 G939 I941 L1012 E1014	L810-Q812 PolarHBondContact O-N 3.16Å; Q812-M814 VanDerWaalsContact C-N 3.31Å; Q812-M814 PolarHBondContact O-N 3.18Å; Q812-L815 PolarHBondContact O-N 3.39Å; Q812-T816 PolarHBondContact O-N 3.15Å; Q812-T816 PolarHBondContact O-OG1 3.21Å; Q812-F938 PolarHBondContact NE2-O 3.47Å; Q812-G939 PolarHBondContact NE2-O 3.1Å; Q812-G939 VanDerWaalsContact NE2-O 3.16Å; Q812-I941 HydrophobicContact CG-CD1 4.12Å; Q812-I941 HydrophobicContact CG-CG1 4.42Å; Q812-L1012 HydrophobicContact CB-CD2 4.46Å; Q812-E1014 PolarHBondContact NE2-OE2 2.92Å
813	D	94.1	Very high	94.6	Very high	10 Å²	10	15.4 Å²	15.4	5%	0.053	8%	0.075	C	C	.	.	H	α-helix	trans	-60.1	-43.1	172.2	-68	-103.4	0	0	0	111.3	L810 L815 T816 L817 F938	L810-D813 PolarHBondContact O-N 2.9Å; D813-L815 PolarHBondContact O-N 3.43Å; D813-T816 PolarHBondContact O-N 3.01Å; D813-L817 WeakPolarHBondContact O-CB 3.26Å; D813-L817 WeakPolarHBondContact O-CD1 3.48Å; D813-L817 WeakPolarHBondContact O-CG 3.43Å; D813-L817 PolarHBondContact O-N 3.23Å; D813-F938 PolarHBondContact OD1-N 3.32Å
814	M	95.7	Very high	94.5	Very high	9 Å²	9	15.3 Å²	15.3	4%	0.044	7%	0.074	C	C	.	.	H	α-helix	trans	-59.8	-45.9	178.3	-172.9	174.1	65.7	0	0	112	L640 L810 R811 Q812 Q818 C841 L842	L640-M814 HydrophobicContact CD1-CE 3.38Å; L640-M814 HydrophobicContact CD2-CE 3.86Å; L640-M814 HydrophobicContact CD2-CG 4.36Å; L640-M814 HydrophobicContact CG-CE 4.27Å; L810-M814 WeakPolarHBondContact O-CB 3.44Å; L810-M814 PolarHBondContact O-N 3.01Å; R811-M814 HydrophobicContact CG-CE 4.38Å; R811-M814 PolarHBondContact O-N 3.25Å; Q812-M814 VanDerWaalsContact C-N 3.31Å; Q812-M814 PolarHBondContact O-N 3.18Å; M814-Q818 WeakPolarHBondContact O-CB 3.25Å; M814-Q818 PolarHBondContact O-N 2.95Å; M814-C841 WeakPolarHBondContact CG-O 3.38Å; M814-L842 HydrophobicContact SD-CD1 4.16Å
815	L	96.2	Very high	94.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-61.2	-47.2	174.2	175.8	60.1	0	0	0	111.3	L640 R811 Q812 D813 L817 Q818 M819 F1004 M1007 L1012 L1015	L640-L815 HydrophobicContact CD2-CB 4.41Å; L640-L815 HydrophobicContact CD2-CD1 4.49Å; R811-L815 WeakPolarHBondContact O-CB 3.49Å; R811-L815 PolarHBondContact O-N 3.05Å; Q812-L815 PolarHBondContact O-N 3.39Å; D813-L815 PolarHBondContact O-N 3.43Å; L815-L817 PolarHBondContact O-N 3.04Å; L815-Q818 WeakPolarHBondContact O-CB 3.39Å; L815-Q818 PolarHBondContact O-N 3.22Å; L815-M819 HydrophobicContact CD1-CE 4.03Å; L815-M819 HydrophobicContact CD1-CG 4.33Å; L815-M819 WeakPolarHBondContact O-CG 3.47Å; L815-M819 PolarHBondContact O-N 3.22Å; L815-F1004 HydrophobicContact CD2-CD1 4.23Å; L815-F1004 HydrophobicContact CD2-CE1 3.89Å; L815-F1004 HydrophobicContact CG-CE1 4.47Å; L815-M1007 HydrophobicContact CB-CE 4.46Å; L815-M1007 HydrophobicContact CD1-CE 4.26Å; L815-M1007 HydrophobicContact CD1-CG 3.77Å; L815-M1007 HydrophobicContact CD1-SD 4.32Å; L815-M1007 HydrophobicContact CD2-CB 4.25Å; L815-M1007 HydrophobicContact CD2-CE 4.19Å; L815-M1007 HydrophobicContact CD2-CG 4.07Å; L815-L1012 HydrophobicContact CD2-CD1 3.68Å; L815-L1015 HydrophobicContact CD2-CD2 4.28Å
816	T	96.1	Very high	94.2	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.012	8%	0.08	C	C	.	.	H	α-helix	trans	-62.5	-45.5	-178.2	-53.3	0	0	0	0	111.4	Q812 D813 Q818 M819 L820 L915 I917 F938 I941	Q812-T816 PolarHBondContact O-N 3.15Å; Q812-T816 PolarHBondContact O-OG1 3.21Å; D813-T816 PolarHBondContact O-N 3.01Å; T816-Q818 VanDerWaalsContact C-N 3.31Å; T816-Q818 PolarHBondContact O-N 3.03Å; T816-M819 PolarHBondContact O-N 3.11Å; T816-M819 VanDerWaalsContact O-N 3.17Å; T816-L820 WeakPolarHBondContact O-CG 3.32Å; T816-L820 PolarHBondContact O-N 2.7Å; T816-L915 HydrophobicContact CG2-CD1 4.29Å; T816-I917 HydrophobicContact CG2-CD1 3.76Å; T816-I917 HydrophobicContact CG2-CG1 4.33Å; T816-F938 HydrophobicContact CG2-CB 3.86Å; T816-F938 HydrophobicContact CG2-CD1 3.61Å; T816-F938 HydrophobicContact CG2-CD2 4.27Å; T816-F938 HydrophobicContact CG2-CE1 4.19Å; T816-F938 HydrophobicContact CG2-CG 3.64Å; T816-I941 HydrophobicContact CG2-CG2 4.34Å; T816-I941 WeakPolarHBondContact OG1-CG2 3.35Å
817	L	97.5	Very high	94.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-65	-34.5	177.1	-76.6	159.9	0	0	0	112.5	D813 L815 L820 R821 P838 Y839 C841 F938	D813-L817 WeakPolarHBondContact O-CB 3.26Å; D813-L817 WeakPolarHBondContact O-CD1 3.48Å; D813-L817 WeakPolarHBondContact O-CG 3.43Å; D813-L817 PolarHBondContact O-N 3.23Å; L815-L817 PolarHBondContact O-N 3.04Å; L817-L820 HydrophobicContact CD2-CD1 4.35Å; L817-L820 PolarHBondContact O-N 3.01Å; L817-R821 PolarHBondContact O-N 2.74Å; L817-P838 HydrophobicContact CD2-CB 4.29Å; L817-Y839 HydrophobicContact CD1-CD2 3.91Å; L817-Y839 HydrophobicContact CD1-CE2 3.48Å; L817-Y839 VanDerWaalsContact CD1-CE2 3.48Å; L817-Y839 HydrophobicContact CD2-CD1 4Å; L817-Y839 HydrophobicContact CD2-CD2 4.25Å; L817-Y839 HydrophobicContact CD2-CE1 3.88Å; L817-Y839 HydrophobicContact CD2-CE2 4.13Å; L817-Y839 HydrophobicContact CD2-CG 4.18Å; L817-Y839 HydrophobicContact CG-CE2 4.42Å; L817-C841 HydrophobicContact CD1-CB 3.36Å; L817-F938 HydrophobicContact CD1-CD2 4.46Å; L817-F938 HydrophobicContact CD1-CE2 4.27Å; L817-F938 HydrophobicContact CD2-CE2 3.69Å; L817-F938 HydrophobicContact CD2-CZ 4.31Å; L817-F938 HydrophobicContact CG-CD2 4.12Å; L817-F938 HydrophobicContact CG-CE2 3.74Å
818	Q	97	Very high	94.4	Very high	9 Å²	9	19.1 Å²	19.1	4%	0.042	9%	0.089	C	C	.	.	H	α-helix	trans	-65.6	-42.7	171.6	-175.5	-145.1	-21	0	0	111.4	Q637 Q641 M814 L815 T816 L820 R821 L822	Q637-Q818 PolarHBondContact O-NE2 3.19Å; Q641-Q818 VanDerWaalsContact CD-NE2 3.32Å; Q641-Q818 VanDerWaalsContact NE2-NE2 3.16Å; M814-Q818 WeakPolarHBondContact O-CB 3.25Å; M814-Q818 PolarHBondContact O-N 2.95Å; L815-Q818 WeakPolarHBondContact O-CB 3.39Å; L815-Q818 PolarHBondContact O-N 3.22Å; T816-Q818 VanDerWaalsContact C-N 3.31Å; T816-Q818 PolarHBondContact O-N 3.03Å; Q818-L820 VanDerWaalsContact C-N 3.3Å; Q818-L820 PolarHBondContact O-N 3.05Å; Q818-R821 WeakPolarHBondContact O-CB 3.28Å; Q818-R821 PolarHBondContact O-N 3.16Å; Q818-L822 PolarHBondContact O-N 2.75Å
819	M	97.6	Very high	94.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.5	-38.7	174.4	-65	-57.8	97.1	0	0	111.5	L815 T816 L822 M823 L915 F1000 L1003 F1004	L815-M819 HydrophobicContact CD1-CE 4.03Å; L815-M819 HydrophobicContact CD1-CG 4.33Å; L815-M819 WeakPolarHBondContact O-CG 3.47Å; L815-M819 PolarHBondContact O-N 3.22Å; T816-M819 PolarHBondContact O-N 3.11Å; T816-M819 VanDerWaalsContact O-N 3.17Å; M819-L822 PolarHBondContact O-N 2.67Å; M819-M823 VanDerWaalsContact O-CG 3.28Å; M819-M823 WeakPolarHBondContact O-CG 3.26Å; M819-M823 PolarHBondContact O-N 3.35Å; M819-L915 HydrophobicContact CB-CD1 3.92Å; M819-L915 HydrophobicContact CB-CD2 4.23Å; M819-L915 HydrophobicContact CG-CD2 4.45Å; M819-F1000 HydrophobicContact SD-CD1 4.05Å; M819-F1000 HydrophobicContact SD-CE1 4.43Å; M819-L1003 HydrophobicContact CE-CB 4.23Å; M819-L1003 HydrophobicContact CE-CD1 3.94Å; M819-L1003 HydrophobicContact SD-CB 4.34Å; M819-L1003 HydrophobicContact SD-CD1 4.28Å; M819-F1004 HydrophobicContact CG-CE2 3.68Å; M819-F1004 HydrophobicContact CG-CZ 3.89Å; M819-F1004 HydrophobicContact SD-CD2 4.23Å; M819-F1004 HydrophobicContact SD-CE2 3.76Å; M819-F1004 HydrophobicContact SD-CZ 4.49Å
820	L	97.8	Very high	94.5	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-63.6	-39.2	173.7	-68.1	174.9	0	0	0	112.5	T816 L817 Q818 M823 D824 M836 P838 Y908 A911 L915 F938	T816-L820 WeakPolarHBondContact O-CG 3.32Å; T816-L820 PolarHBondContact O-N 2.7Å; L817-L820 HydrophobicContact CD2-CD1 4.35Å; L817-L820 PolarHBondContact O-N 3.01Å; Q818-L820 VanDerWaalsContact C-N 3.3Å; Q818-L820 PolarHBondContact O-N 3.05Å; L820-M823 HydrophobicContact CD2-SD 4.42Å; L820-M823 PolarHBondContact O-N 3.45Å; L820-D824 WeakPolarHBondContact O-CB 3.37Å; L820-D824 PolarHBondContact O-N 3.26Å; L820-M836 HydrophobicContact CD2-CE 3.89Å; L820-P838 HydrophobicContact CB-CB 3.98Å; L820-Y908 HydrophobicContact CD1-CE1 3.99Å; L820-A911 HydrophobicContact CD2-CB 3.46Å; L820-A911 VanDerWaalsContact CD2-CB 3.46Å; L820-L915 HydrophobicContact CD2-CD1 4.37Å; L820-F938 HydrophobicContact CD1-CE1 4.1Å; L820-F938 HydrophobicContact CD1-CE2 4.47Å; L820-F938 HydrophobicContact CD1-CZ 3.77Å
821	R	95.9	Very high	94.2	Very high	70 Å²	70	25.1 Å²	25.1	26%	0.264	14%	0.14	S	C	.	.	H	α-helix	trans	-60.8	-43.6	171.2	-80.1	-174.8	-68.5	-84.3	1.7	111.9	L817 Q818 D824 L825 P838	L817-R821 PolarHBondContact O-N 2.74Å; Q818-R821 WeakPolarHBondContact O-CB 3.28Å; Q818-R821 PolarHBondContact O-N 3.16Å; R821-D824 PolarHBondContact O-N 3.19Å; R821-L825 WeakPolarHBondContact O-CB 3.34Å; R821-L825 PolarHBondContact O-N 3.06Å; R821-P838 HydrophobicContact CB-CG 4.24Å; R821-P838 HydrophobicContact CG-CB 3.6Å; R821-P838 HydrophobicContact CG-CG 3.27Å; R821-P838 PolarHBondContact NH1-O 3.44Å
822	L	96.3	Very high	94	Very high	2 Å²	2	25 Å²	25	1%	0.01	14%	0.142	C	C	.	.	H	α-helix	trans	-64.4	-43	177.4	179.5	62.6	0	0	0	111.6	Y638 Q818 M819 D824 L825 L826 L999 F1000 L1003	Y638-L822 HydrophobicContact CE1-CD1 4.21Å; Y638-L822 HydrophobicContact CE1-CD2 4.44Å; Q818-L822 PolarHBondContact O-N 2.75Å; M819-L822 PolarHBondContact O-N 2.67Å; L822-D824 PolarHBondContact O-N 3.11Å; L822-L825 HydrophobicContact CD1-CD2 4.49Å; L822-L825 WeakPolarHBondContact O-CB 3.44Å; L822-L825 PolarHBondContact O-N 2.85Å; L822-L826 HydrophobicContact CD1-CD1 4.34Å; L822-L826 HydrophobicContact CD1-CG 4.19Å; L822-L826 HydrophobicContact CG-CD1 4.11Å; L822-L826 HydrophobicContact CG-CG 4.39Å; L822-L826 VanDerWaalsContact O-CG 3.27Å; L822-L826 WeakPolarHBondContact O-CG 3.47Å; L822-L826 PolarHBondContact O-N 3.15Å; L822-L999 HydrophobicContact CD1-CD2 4.12Å; L822-L999 HydrophobicContact CD2-CD2 3.96Å; L822-L999 HydrophobicContact CD2-CG 4.22Å; L822-F1000 HydrophobicContact CD2-CD1 4.34Å; L822-F1000 HydrophobicContact CD2-CE1 3.89Å; L822-F1000 HydrophobicContact CD2-CZ 4.31Å; L822-F1000 HydrophobicContact CG-CE1 4.3Å; L822-F1000 HydrophobicContact CG-CZ 4.41Å; L822-L1003 HydrophobicContact CD2-CD1 3.33Å
823	M	97.9	Very high	94	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59.3	-46.7	175.4	-69.9	178.8	176.2	0	0	111.5	M819 L820 L825 L826 W827 A911 V914 L915 L993 F1000	M819-M823 VanDerWaalsContact O-CG 3.28Å; M819-M823 WeakPolarHBondContact O-CG 3.26Å; M819-M823 PolarHBondContact O-N 3.35Å; L820-M823 HydrophobicContact CD2-SD 4.42Å; L820-M823 PolarHBondContact O-N 3.45Å; M823-L825 VanDerWaalsContact C-N 3.33Å; M823-L825 PolarHBondContact O-N 3.42Å; M823-L826 PolarHBondContact O-N 2.89Å; M823-W827 HydrophobicContact CB-CD2 4.47Å; M823-W827 HydrophobicContact CB-CE3 4.21Å; M823-W827 HydrophobicContact CB-CH2 3.94Å; M823-W827 HydrophobicContact CB-CZ2 4.2Å; M823-W827 HydrophobicContact CB-CZ3 3.93Å; M823-W827 VanDerWaalsContact O-CG 3.22Å; M823-W827 PolarHBondContact O-N 2.93Å; M823-W827 HydrophobicContact SD-CH2 4.49Å; M823-A911 HydrophobicContact SD-CB 3.52Å; M823-A911 VanDerWaalsContact SD-CB 3.52Å; M823-V914 HydrophobicContact CE-CB 4.33Å; M823-V914 HydrophobicContact CE-CG1 3.92Å; M823-L915 HydrophobicContact CE-CD1 3.88Å; M823-L915 HydrophobicContact CE-CD2 3.69Å; M823-L915 HydrophobicContact CE-CG 3.55Å; M823-L915 HydrophobicContact SD-CD1 4.31Å; M823-L993 HydrophobicContact CB-CD2 3.95Å; M823-L993 HydrophobicContact CE-CD1 3.79Å; M823-L993 HydrophobicContact CG-CD1 3.88Å; M823-L993 HydrophobicContact CG-CD2 3.68Å; M823-L993 HydrophobicContact CG-CG 4.45Å; M823-L993 HydrophobicContact SD-CD1 3.72Å; M823-F1000 HydrophobicContact CE-CD1 4.35Å; M823-F1000 HydrophobicContact CE-CE1 3.73Å; M823-F1000 HydrophobicContact CE-CZ 3.96Å; M823-F1000 HydrophobicContact CG-CE1 3.84Å; M823-F1000 HydrophobicContact CG-CZ 3.61Å
824	D	95.5	Very high	94	Very high	16 Å²	16	25.4 Å²	25.4	9%	0.086	15%	0.145	C	C	.	.	H	α-helix	trans	-59.2	-42.7	175.7	-174.1	55.7	0	0	0	112.2	L820 R821 L822 K828 M836	L820-D824 WeakPolarHBondContact O-CB 3.37Å; L820-D824 PolarHBondContact O-N 3.26Å; R821-D824 PolarHBondContact O-N 3.19Å; L822-D824 PolarHBondContact O-N 3.11Å; D824-K828 WeakPolarHBondContact O-CB 3.43Å; D824-K828 VanDerWaalsContact O-CG 3.26Å; D824-K828 WeakPolarHBondContact O-CG 3.42Å; D824-K828 PolarHBondContact O-N 2.98Å; D824-K828 WeakPolarHBondContact OD1-CE 3.34Å; D824-K828 IonicContact OD1-NZ 3.3Å; D824-K828 VanDerWaalsContact OD2-CE 3.3Å; D824-K828 WeakPolarHBondContact OD2-CE 3.42Å; D824-K828 IonicContact OD2-NZ 3.52Å; D824-K828 PolarHBondContact OD2-NZ 3.47Å; D824-M836 HydrophobicContact CB-CB 3.85Å; D824-M836 HydrophobicContact CB-CG 4.01Å; D824-M836 WeakPolarHBondContact OD1-CB 3.34Å
825	L	91.6	Very high	93.7	Very high	46 Å²	46	26.7 Å²	26.7	24%	0.241	15%	0.149	C	C	.	.	H	α-helix	trans	-61.1	-49.4	175.1	-179.3	152.4	0	0	0	111.7	Q637 R821 L822 M823 W827 K828 E829	Q637-L825 HydrophobicContact CG-CD1 4.41Å; R821-L825 WeakPolarHBondContact O-CB 3.34Å; R821-L825 PolarHBondContact O-N 3.06Å; L822-L825 HydrophobicContact CD1-CD2 4.49Å; L822-L825 WeakPolarHBondContact O-CB 3.44Å; L822-L825 PolarHBondContact O-N 2.85Å; M823-L825 VanDerWaalsContact C-N 3.33Å; M823-L825 PolarHBondContact O-N 3.42Å; L825-W827 VanDerWaalsContact C-N 3.35Å; L825-W827 PolarHBondContact O-N 3.11Å; L825-K828 PolarHBondContact O-N 2.79Å; L825-E829 VanDerWaalsContact CD2-CD 3.45Å; L825-E829 HydrophobicContact CD2-CG 4.09Å; L825-E829 VanDerWaalsContact CD2-OE1 3.3Å; L825-E829 WeakPolarHBondContact CD2-OE1 3.48Å; L825-E829 WeakPolarHBondContact O-CG 3.43Å; L825-E829 PolarHBondContact O-N 3.15Å
826	L	94.4	Very high	93.6	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-64.5	-38.5	-179.3	-67.1	173.5	0	0	0	112.1	L822 M823 A830 I992 L993 H996 F1000	L822-L826 HydrophobicContact CD1-CD1 4.34Å; L822-L826 HydrophobicContact CD1-CG 4.19Å; L822-L826 HydrophobicContact CG-CD1 4.11Å; L822-L826 HydrophobicContact CG-CG 4.39Å; L822-L826 VanDerWaalsContact O-CG 3.27Å; L822-L826 WeakPolarHBondContact O-CG 3.47Å; L822-L826 PolarHBondContact O-N 3.15Å; M823-L826 PolarHBondContact O-N 2.89Å; L826-A830 PolarHBondContact O-N 3.15Å; L826-A830 VanDerWaalsContact O-N 3.14Å; L826-I992 HydrophobicContact CB-CG2 4.4Å; L826-L993 HydrophobicContact CD1-CD2 4.42Å; L826-H996 HydrophobicContact CD1-CB 3.75Å; L826-F1000 HydrophobicContact CD1-CE2 3.9Å; L826-F1000 HydrophobicContact CD1-CZ 3.84Å
827	W	95.1	Very high	93.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-65.4	-43.5	174.5	-65	-38.1	0	0	0	111.6	M823 L825 A830 G831 L832 L834 M836 G907 V910 A911 A989 L993	M823-W827 HydrophobicContact CB-CD2 4.47Å; M823-W827 HydrophobicContact CB-CE3 4.21Å; M823-W827 HydrophobicContact CB-CH2 3.94Å; M823-W827 HydrophobicContact CB-CZ2 4.2Å; M823-W827 HydrophobicContact CB-CZ3 3.93Å; M823-W827 VanDerWaalsContact O-CG 3.22Å; M823-W827 PolarHBondContact O-N 2.93Å; M823-W827 HydrophobicContact SD-CH2 4.49Å; L825-W827 VanDerWaalsContact C-N 3.35Å; L825-W827 PolarHBondContact O-N 3.11Å; W827-A830 CarbonylContact O-C 3.59Å; W827-A830 PolarHBondContact O-N 3.31Å; W827-A830 VanDerWaalsContact O-N 3.14Å; W827-G831 PolarHBondContact O-N 3.44Å; W827-L832 CarbonylContact C-O 3.55Å; W827-L832 HydrophobicContact CB-CB 4.37Å; W827-L832 VanDerWaalsContact CB-O 3.23Å; W827-L832 WeakPolarHBondContact CB-O 3.01Å; W827-L832 WeakPolarHBondContact O-CA 3.46Å; W827-L832 PolarHBondContact O-N 2.7Å; W827-L834 HydrophobicContact CD2-CD1 3.58Å; W827-L834 HydrophobicContact CD2-CG 4.38Å; W827-L834 HydrophobicContact CE3-CB 4.17Å; W827-L834 HydrophobicContact CE3-CD1 3.54Å; W827-L834 HydrophobicContact CE3-CG 4.19Å; W827-L834 HydrophobicContact CG-CD1 4.1Å; W827-L834 HydrophobicContact CH2-CD1 4.11Å; W827-L834 HydrophobicContact CZ2-CD1 4.14Å; W827-L834 HydrophobicContact CZ3-CB 4.5Å; W827-L834 HydrophobicContact CZ3-CD1 3.83Å; W827-M836 HydrophobicContact CE3-CG 4.06Å; W827-M836 HydrophobicContact CZ3-CE 4.09Å; W827-M836 HydrophobicContact CZ3-CG 3.64Å; W827-M836 HydrophobicContact CZ3-SD 3.76Å; W827-G907 WeakPolarHBondContact CH2-O 3.48Å; W827-V910 HydrophobicContact CZ2-CB 4.4Å; W827-V910 HydrophobicContact CZ2-CG1 4.13Å; W827-A911 HydrophobicContact CH2-CB 4.18Å; W827-A989 HydrophobicContact CZ2-CB 4.02Å; W827-A989 PolarHBondContact NE1-O 2.9Å; W827-L993 HydrophobicContact CH2-CD1 4.49Å; W827-L993 HydrophobicContact CZ2-CD1 3.61Å; W827-L993 HydrophobicContact CZ2-CD2 4.08Å; W827-L993 HydrophobicContact CZ2-CG 3.88Å
828	K	88.6	Confident	93.4	Very high	90 Å²	90	30 Å²	30	39%	0.391	17%	0.168	S	C	.	.	H	α-helix	trans	-64.8	-39.6	175.7	-74.6	170.1	176.9	170.5	0	112.8	D824 L825 A830 G831 L832 D833	D824-K828 WeakPolarHBondContact O-CB 3.43Å; D824-K828 VanDerWaalsContact O-CG 3.26Å; D824-K828 WeakPolarHBondContact O-CG 3.42Å; D824-K828 PolarHBondContact O-N 2.98Å; D824-K828 WeakPolarHBondContact OD1-CE 3.34Å; D824-K828 IonicContact OD1-NZ 3.3Å; D824-K828 VanDerWaalsContact OD2-CE 3.3Å; D824-K828 WeakPolarHBondContact OD2-CE 3.42Å; D824-K828 IonicContact OD2-NZ 3.52Å; D824-K828 PolarHBondContact OD2-NZ 3.47Å; L825-K828 PolarHBondContact O-N 2.79Å; K828-A830 PolarHBondContact O-N 3.33Å; K828-G831 PolarHBondContact O-N 2.93Å; K828-L832 PolarHBondContact N-O 2.82Å; K828-D833 WeakPolarHBondContact CE-OD1 3.16Å
829	E	88	Confident	93.4	Very high	104 Å²	104	30 Å²	30	49%	0.486	17%	0.168	S	C	.	.	H	α-helix	trans	-58.2	-34.8	172.3	-78	-178.5	167.3	0	0	111.6	R604 L825 G831	R604-E829 IonicContact CZ-OE1 3.13Å; R604-E829 IonicContact CZ-OE2 3.56Å; R604-E829 IonicContact NH1-OE1 3.79Å; R604-E829 IonicContact NH1-OE2 3.57Å; R604-E829 PolarHBondContact NH1-OE2 2.94Å; R604-E829 IonicContact NH2-OE1 2.69Å; R604-E829 PolarHBondContact NH2-OE1 3.39Å; R604-E829 IonicContact NH2-OE2 3.92Å; L825-E829 VanDerWaalsContact CD2-CD 3.45Å; L825-E829 HydrophobicContact CD2-CG 4.09Å; L825-E829 VanDerWaalsContact CD2-OE1 3.3Å; L825-E829 WeakPolarHBondContact CD2-OE1 3.48Å; L825-E829 WeakPolarHBondContact O-CG 3.43Å; L825-E829 PolarHBondContact O-N 3.15Å; E829-G831 VanDerWaalsContact C-N 3.31Å
830	A	90.4	Very high	93.3	Very high	61 Å²	61	30.8 Å²	30.8	50%	0.504	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	5.6	175.4	0	0	0	0	0	114.3	L826 W827 K828 I992	L826-A830 PolarHBondContact O-N 3.15Å; L826-A830 VanDerWaalsContact O-N 3.14Å; W827-A830 CarbonylContact O-C 3.59Å; W827-A830 PolarHBondContact O-N 3.31Å; W827-A830 VanDerWaalsContact O-N 3.14Å; K828-A830 PolarHBondContact O-N 3.33Å; A830-I992 HydrophobicContact CB-CD1 3.67Å; A830-I992 HydrophobicContact CB-CG1 3.93Å; A830-I992 HydrophobicContact CB-CG2 4.13Å
831	G	87.1	Confident	93.3	Very high	60 Å²	60	31.3 Å²	31.3	62%	0.619	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.1	9.9	179.1	0	0	0	0	0	115.5	W827 K828 E829	W827-G831 PolarHBondContact O-N 3.44Å; K828-G831 PolarHBondContact O-N 2.93Å; E829-G831 VanDerWaalsContact C-N 3.31Å
832	L	90.4	Very high	93.4	Very high	31 Å²	31	28.1 Å²	28.1	16%	0.162	17%	0.167	C	C	.	.			trans	-108.5	97.5	-178.1	-174	66.2	0	0	0	111.2	W827 K828 L834 D988 A989 I992	W827-L832 CarbonylContact C-O 3.55Å; W827-L832 HydrophobicContact CB-CB 4.37Å; W827-L832 VanDerWaalsContact CB-O 3.23Å; W827-L832 WeakPolarHBondContact CB-O 3.01Å; W827-L832 WeakPolarHBondContact O-CA 3.46Å; W827-L832 PolarHBondContact O-N 2.7Å; K828-L832 PolarHBondContact N-O 2.82Å; L832-L834 HydrophobicContact CD1-CD2 3.92Å; L832-L834 HydrophobicContact CD2-CD1 4.1Å; L832-L834 HydrophobicContact CD2-CD2 3.95Å; L832-L834 HydrophobicContact CD2-CG 4.08Å; L832-L834 HydrophobicContact CG-CD1 4.46Å; L832-L834 HydrophobicContact CG-CD2 3.7Å; L832-L834 HydrophobicContact CG-CG 3.9Å; L832-L834 PolarHBondContact O-N 3.07Å; L832-D988 HydrophobicContact CD2-CB 4.2Å; L832-A989 HydrophobicContact CD2-CB 4.06Å; L832-I992 HydrophobicContact CB-CD1 4.24Å; L832-I992 HydrophobicContact CD2-CD1 3.9Å
833	D	90.1	Very high	93.4	Very high	31 Å²	31	28.1 Å²	28.1	17%	0.166	17%	0.167	C	C	.	.			trans	-87.4	96.8	176.2	-177.5	11.9	0	0	0	111.6	K191 M274 K828 R835	K191-D833 IonicContact NZ-OD2 3.47Å; M274-D833 HydrophobicContact CE-CB 4.39Å; M274-D833 WeakPolarHBondContact CE-OD2 3.44Å; K828-D833 WeakPolarHBondContact CE-OD1 3.16Å; D833-R835 VanDerWaalsContact C-N 3.3Å; D833-R835 PolarHBondContact O-N 3.08Å; D833-R835 PolarHBondContact OD1-N 3.02Å; D833-R835 VanDerWaalsContact OD1-N 3.14Å; D833-R835 IonicContact OD1-NE 3.6Å; D833-R835 WeakPolarHBondContact OD2-CD 3.37Å; D833-R835 IonicContact OD2-CZ 3.88Å; D833-R835 IonicContact OD2-NE 3.03Å; D833-R835 PolarHBondContact OD2-NE 2.85Å; D833-R835 IonicContact OD2-NH1 3.43Å; D833-R835 PolarHBondContact OD2-NH1 3.21Å; D833-R835 IonicContact OD2-NH2 3.99Å
834	L	94.1	Very high	93.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.17	C	C	.	.			trans	-85.5	8.1	-179.9	-61.5	-177	0	0	0	114.1	W827 L832 M836 L903 S904 C985 A989	W827-L834 HydrophobicContact CD2-CD1 3.58Å; W827-L834 HydrophobicContact CD2-CG 4.38Å; W827-L834 HydrophobicContact CE3-CB 4.17Å; W827-L834 HydrophobicContact CE3-CD1 3.54Å; W827-L834 HydrophobicContact CE3-CG 4.19Å; W827-L834 HydrophobicContact CG-CD1 4.1Å; W827-L834 HydrophobicContact CH2-CD1 4.11Å; W827-L834 HydrophobicContact CZ2-CD1 4.14Å; W827-L834 HydrophobicContact CZ3-CB 4.5Å; W827-L834 HydrophobicContact CZ3-CD1 3.83Å; L832-L834 HydrophobicContact CD1-CD2 3.92Å; L832-L834 HydrophobicContact CD2-CD1 4.1Å; L832-L834 HydrophobicContact CD2-CD2 3.95Å; L832-L834 HydrophobicContact CD2-CG 4.08Å; L832-L834 HydrophobicContact CG-CD1 4.46Å; L832-L834 HydrophobicContact CG-CD2 3.7Å; L832-L834 HydrophobicContact CG-CG 3.9Å; L832-L834 PolarHBondContact O-N 3.07Å; L834-M836 VanDerWaalsContact C-N 3.27Å; L834-M836 HydrophobicContact CB-CG 4.42Å; L834-M836 PolarHBondContact O-N 2.99Å; L834-L903 HydrophobicContact CD2-CD2 4.31Å; L834-L903 CarbonylContact O-C 3.52Å; L834-S904 WeakPolarHBondContact O-CA 3.17Å; L834-S904 PolarHBondContact O-N 2.85Å; L834-S904 VanDerWaalsContact O-N 3.13Å; L834-C985 HydrophobicContact CD2-CB 4.34Å; L834-A989 HydrophobicContact CD1-CB 3.61Å
835	R	91.2	Very high	93.2	Very high	37 Å²	37	28.3 Å²	28.3	14%	0.14	17%	0.171	C	C	.	.			trans	58.5	37	172.9	-43.2	-58.5	-179.4	158.1	15.9	113.6	M274 D833 E900 L903	M274-R835 PolarHBondContact O-NH1 3.45Å; D833-R835 VanDerWaalsContact C-N 3.3Å; D833-R835 PolarHBondContact O-N 3.08Å; D833-R835 PolarHBondContact OD1-N 3.02Å; D833-R835 VanDerWaalsContact OD1-N 3.14Å; D833-R835 IonicContact OD1-NE 3.6Å; D833-R835 WeakPolarHBondContact OD2-CD 3.37Å; D833-R835 IonicContact OD2-CZ 3.88Å; D833-R835 IonicContact OD2-NE 3.03Å; D833-R835 PolarHBondContact OD2-NE 2.85Å; D833-R835 IonicContact OD2-NH1 3.43Å; D833-R835 PolarHBondContact OD2-NH1 3.21Å; D833-R835 IonicContact OD2-NH2 3.99Å; R835-E900 WeakPolarHBondContact CB-OE2 3.47Å; R835-E900 WeakPolarHBondContact CD-OE2 3.17Å; R835-E900 VanDerWaalsContact CG-OE2 3.24Å; R835-E900 WeakPolarHBondContact CG-OE2 3.41Å; R835-E900 IonicContact CZ-OE1 3.85Å; R835-E900 IonicContact NE-OE1 2.7Å; R835-E900 IonicContact NH2-OE1 3.11Å; R835-L903 HydrophobicContact CG-CB 3.93Å; R835-L903 HydrophobicContact CG-CD1 4.03Å
836	M	94.1	Very high	93.1	Very high	15 Å²	15	29 Å²	29	7%	0.074	18%	0.175	C	C	.	.			trans	-66.1	148.9	179.1	-62.8	-64.3	-72.8	0	0	111.2	L820 D824 W827 L834 P838 Y908 A911	L820-M836 HydrophobicContact CD2-CE 3.89Å; D824-M836 HydrophobicContact CB-CB 3.85Å; D824-M836 HydrophobicContact CB-CG 4.01Å; D824-M836 WeakPolarHBondContact OD1-CB 3.34Å; W827-M836 HydrophobicContact CE3-CG 4.06Å; W827-M836 HydrophobicContact CZ3-CE 4.09Å; W827-M836 HydrophobicContact CZ3-CG 3.64Å; W827-M836 HydrophobicContact CZ3-SD 3.76Å; L834-M836 VanDerWaalsContact C-N 3.27Å; L834-M836 HydrophobicContact CB-CG 4.42Å; L834-M836 PolarHBondContact O-N 2.99Å; M836-P838 VanDerWaalsContact C-CD 3.45Å; M836-P838 WeakPolarHBondContact O-CD 3.44Å; M836-Y908 HydrophobicContact CE-CD1 3.92Å; M836-Y908 HydrophobicContact CE-CD2 3.77Å; M836-Y908 HydrophobicContact CE-CE1 3.83Å; M836-Y908 HydrophobicContact CE-CE2 3.65Å; M836-Y908 HydrophobicContact CE-CG 3.88Å; M836-Y908 HydrophobicContact SD-CD2 3.72Å; M836-Y908 HydrophobicContact SD-CE2 3.75Å; M836-Y908 HydrophobicContact SD-CG 4.29Å; M836-A911 HydrophobicContact CE-CB 4.38Å
837	L	94.1	Very high	93	Very high	29 Å²	29	32 Å²	32	15%	0.152	19%	0.187	C	C	.	.			trans	-126.7	74.5	177.4	-157.7	165.5	0	0	0	111.1	Y839 V854 Y908 K928 F934	L837-Y839 PolarHBondContact O-N 3.4Å; L837-V854 HydrophobicContact CD1-CG1 3.8Å; L837-V854 HydrophobicContact CD2-CG1 4.26Å; L837-V854 HydrophobicContact CD2-CG2 3.57Å; L837-Y908 PolarHBondContact N-OH 2.8Å; L837-Y908 PolarHBondContact O-OH 3.12Å; L837-K928 HydrophobicContact CD1-CD 3.44Å; L837-K928 VanDerWaalsContact CD1-CD 3.44Å; L837-K928 HydrophobicContact CD1-CG 4.48Å; L837-F934 HydrophobicContact CB-CB 4.18Å; L837-F934 HydrophobicContact CD1-CD1 4.5Å
838	P	95.1	Very high	92.9	Very high	27 Å²	27	32.6 Å²	32.6	18%	0.175	19%	0.19	C	C	.	.			trans	-82	82.5	176.3	34.8	-35.8	0	0	0	110.9	L817 L820 R821 M836	L817-P838 HydrophobicContact CD2-CB 4.29Å; L820-P838 HydrophobicContact CB-CB 3.98Å; R821-P838 HydrophobicContact CB-CG 4.24Å; R821-P838 HydrophobicContact CG-CB 3.6Å; R821-P838 HydrophobicContact CG-CG 3.27Å; R821-P838 PolarHBondContact NH1-O 3.44Å; M836-P838 VanDerWaalsContact C-CD 3.45Å; M836-P838 WeakPolarHBondContact O-CD 3.44Å
839	Y	95.8	Very high	93.3	Very high	10 Å²	10	28.3 Å²	28.3	4%	0.039	17%	0.172	C	C	.	.			trans	-54.9	157.2	-179.7	60	-95.5	0	0	0	113.6	L817 L837 I851 V854 F934 H935 I936 F938	L817-Y839 HydrophobicContact CD1-CD2 3.91Å; L817-Y839 HydrophobicContact CD1-CE2 3.48Å; L817-Y839 VanDerWaalsContact CD1-CE2 3.48Å; L817-Y839 HydrophobicContact CD2-CD1 4Å; L817-Y839 HydrophobicContact CD2-CD2 4.25Å; L817-Y839 HydrophobicContact CD2-CE1 3.88Å; L817-Y839 HydrophobicContact CD2-CE2 4.13Å; L817-Y839 HydrophobicContact CD2-CG 4.18Å; L817-Y839 HydrophobicContact CG-CE2 4.42Å; L837-Y839 PolarHBondContact O-N 3.4Å; Y839-I851 HydrophobicContact CD2-CG2 3.73Å; Y839-I851 HydrophobicContact CE2-CG2 3.47Å; Y839-I851 VanDerWaalsContact CE2-CG2 3.47Å; Y839-V854 HydrophobicContact CG-CG2 4.49Å; Y839-F934 HydrophobicContact CD1-CD2 4.21Å; Y839-F934 HydrophobicContact CD1-CE2 4.4Å; Y839-F934 HydrophobicContact CE1-CD2 4.34Å; Y839-H935 WeakPolarHBondContact CE1-O 3.33Å; Y839-I936 HydrophobicContact CE1-CB 4.45Å; Y839-I936 HydrophobicContact CE1-CG2 3.75Å; Y839-I936 WeakPolarHBondContact OH-CA 3.45Å; Y839-F938 HydrophobicContact CE1-CE2 4.2Å; Y839-F938 AromaticContact CZ-CE2 3.96Å; Y839-F938 WeakPolarHBondContact OH-CE2 3.24Å
840	G	95.9	Very high	93.8	Very high	16 Å²	16	23.6 Å²	23.6	17%	0.165	15%	0.15	C	C	.	.			trans	-64.3	133.1	179	0	0	0	0	0	112.8	I851 E852	G840-I851 WeakPolarHBondContact O-CA 3.19Å; G840-E852 PolarHBondContact N-OE2 2.82Å; G840-E852 WeakPolarHBondContact O-CB 3.24Å; G840-E852 PolarHBondContact O-N 2.74Å
841	C	97.4	Very high	94.2	Very high	11 Å²	11	21.7 Å²	21.7	7%	0.074	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	130.6	170.9	-178.3	0	0	0	0	108.5	M814 L817 L850	M814-C841 WeakPolarHBondContact CG-O 3.38Å; L817-C841 HydrophobicContact CD1-CB 3.36Å; C841-L850 WeakPolarHBondContact CA-O 3.46Å
842	L	98.1	Very high	94.6	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.016	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	118.3	-177.4	-176	67.8	0	0	0	110.4	F673 W676 P761 L762 M814 T844 G849 L850	F673-L842 HydrophobicContact CD1-CD1 4.29Å; W676-L842 HydrophobicContact CB-CD1 4.12Å; W676-L842 HydrophobicContact CB-CD2 3.99Å; W676-L842 HydrophobicContact CB-CG 4.39Å; W676-L842 HydrophobicContact CD2-CD2 4.45Å; W676-L842 HydrophobicContact CG-CD2 3.87Å; P761-L842 HydrophobicContact CB-CD2 3.98Å; P761-L842 WeakPolarHBondContact O-CD2 3.38Å; L762-L842 HydrophobicContact CD2-CB 3.81Å; M814-L842 HydrophobicContact SD-CD1 4.16Å; L842-T844 HydrophobicContact CD2-CG2 4.2Å; L842-T844 HydrophobicContact CG-CG2 4.21Å; L842-G849 CarbonylContact O-C 3.42Å; L842-G849 WeakPolarHBondContact O-CA 3.47Å; L842-L850 PolarHBondContact N-O 2.59Å; L842-L850 PolarHBondContact O-N 2.9Å
843	A	97	Very high	94.8	Very high	2 Å²	2	22.6 Å²	22.6	2%	0.017	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	131.5	165.9	0	0	0	0	0	109.6	S680 L810 R811	S680-A843 WeakPolarHBondContact CB-O 3.35Å; L810-A843 HydrophobicContact CB-CB 4.41Å; R811-A843 HydrophobicContact CG-CB 3.69Å
844	T	96	Very high	94.9	Very high	8 Å²	8	22.1 Å²	22.1	5%	0.049	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	-6.6	-175.5	58.9	0	0	0	0	113.4	W676 L716 L842 S848	W676-T844 HydrophobicContact CD2-CG2 4.36Å; W676-T844 HydrophobicContact CE3-CG2 3.84Å; W676-T844 HydrophobicContact CZ3-CG2 4.07Å; L716-T844 HydrophobicContact CD1-CG2 3.87Å; L716-T844 HydrophobicContact CD2-CG2 4.41Å; L842-T844 HydrophobicContact CD2-CG2 4.2Å; L842-T844 HydrophobicContact CG-CG2 4.21Å; T844-S848 PolarHBondContact N-O 3.2Å; T844-S848 PolarHBondContact OG1-O 2.85Å
845	G	92.8	Very high	94.5	Very high	12 Å²	12	24 Å²	24	12%	0.124	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	180	-170.6	-179	0	0	0	0	0	112.6	S680 R847 S848	S680-G845 CarbonylContact O-C 3.58Å; G845-R847 PolarHBondContact O-N 3.02Å; G845-S848 WeakPolarHBondContact CA-OG 3.37Å; G845-S848 PolarHBondContact N-O 3.21Å; G845-S848 PolarHBondContact N-OG 3.01Å; G845-S848 PolarHBondContact O-N 3.34Å
846	D	90.4	Very high	94.3	Very high	60 Å²	60	25.1 Å²	25.1	32%	0.321	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	110	174.7	177.7	21.3	0	0	0	110.5	S848	D846-S848 PolarHBondContact O-N 3.42Å
847	R	91.4	Very high	94.2	Very high	66 Å²	66	25.5 Å²	25.5	25%	0.249	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	33.2	178.2	-67.2	169	-73.1	175.1	0.5	113	N806 G807 D808 D809 G845	N806-R847 CarbonylContact C-O 3.6Å; N806-R847 WeakPolarHBondContact CA-O 3.37Å; G807-R847 PolarHBondContact N-O 2.76Å; D808-R847 PolarHBondContact N-O 3.31Å; D808-R847 CarbonylContact O-C 3.57Å; D808-R847 VanDerWaalsContact O-CA 3.27Å; D808-R847 WeakPolarHBondContact O-CA 3.46Å; D808-R847 VanDerWaalsContact O-O 3.11Å; D809-R847 HydrophobicContact CB-CG 4.43Å; G845-R847 PolarHBondContact O-N 3.02Å
848	S	93.8	Very high	94.1	Very high	11 Å²	11	26.2 Å²	26.2	8%	0.077	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	146.7	178.6	67.6	0	0	0	0	111.8	K805 T844 G845 D846	K805-S848 WeakPolarHBondContact O-CA 3.27Å; T844-S848 PolarHBondContact N-O 3.2Å; T844-S848 PolarHBondContact OG1-O 2.85Å; G845-S848 WeakPolarHBondContact CA-OG 3.37Å; G845-S848 PolarHBondContact N-O 3.21Å; G845-S848 PolarHBondContact N-OG 3.01Å; G845-S848 PolarHBondContact O-N 3.34Å; D846-S848 PolarHBondContact O-N 3.42Å
849	G	97	Very high	94	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.5	-169.8	174.1	0	0	0	0	0	113.8	K805 L842	K805-G849 PolarHBondContact N-O 3.41Å; K805-G849 PolarHBondContact O-N 2.78Å; L842-G849 CarbonylContact O-C 3.42Å; L842-G849 WeakPolarHBondContact O-CA 3.47Å
850	L	98.3	Very high	93.7	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.026	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	146.3	-174.2	-60.4	173.2	0	0	0	110.4	L716 P761 L762 V802 I803 F804 C841 L842	L716-L850 HydrophobicContact CD2-CD1 4.12Å; L716-L850 HydrophobicContact CD2-CD2 3.95Å; L716-L850 HydrophobicContact CD2-CG 4.05Å; P761-L850 HydrophobicContact CB-CD1 3.81Å; P761-L850 HydrophobicContact CG-CD1 3.71Å; L762-L850 HydrophobicContact CD1-CB 3.87Å; L762-L850 HydrophobicContact CD2-CB 3.89Å; L762-L850 HydrophobicContact CG-CB 3.77Å; L762-L850 HydrophobicContact CG-CD1 4.3Å; V802-L850 HydrophobicContact CG1-CB 4.29Å; V802-L850 HydrophobicContact CG1-CD2 3.77Å; V802-L850 HydrophobicContact CG1-CG 4.44Å; I803-L850 CarbonylContact O-C 3.51Å; I803-L850 VanDerWaalsContact O-CA 3.3Å; I803-L850 WeakPolarHBondContact O-CA 3.25Å; F804-L850 HydrophobicContact CB-CD2 3.97Å; F804-L850 HydrophobicContact CD2-CD2 3.77Å; F804-L850 HydrophobicContact CG-CD2 4.38Å; C841-L850 WeakPolarHBondContact CA-O 3.46Å; L842-L850 PolarHBondContact N-O 2.59Å; L842-L850 PolarHBondContact O-N 2.9Å
851	I	97.5	Very high	93.3	Very high	22 Å²	22	24.6 Å²	24.6	11%	0.113	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	132.5	171.5	-57.7	170.1	0	0	0	107.8	I803 K805 L810 Y839 G840	I803-I851 HydrophobicContact CB-CB 4.17Å; I803-I851 PolarHBondContact N-O 3.13Å; I803-I851 PolarHBondContact O-N 3.28Å; K805-I851 HydrophobicContact CD-CD1 4.41Å; L810-I851 HydrophobicContact CD1-CG1 4.23Å; L810-I851 HydrophobicContact CD2-CD1 3.99Å; L810-I851 HydrophobicContact CD2-CG1 4.4Å; Y839-I851 HydrophobicContact CD2-CG2 3.73Å; Y839-I851 HydrophobicContact CE2-CG2 3.47Å; Y839-I851 VanDerWaalsContact CE2-CG2 3.47Å; G840-I851 WeakPolarHBondContact O-CA 3.19Å
852	E	96.4	Very high	92.8	Very high	94 Å²	94	27.5 Å²	27.5	44%	0.439	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	134.5	174.4	-178.6	179.5	-155.5	0	0	110.5	L762 G840	L762-E852 HydrophobicContact CD1-CB 4.15Å; G840-E852 PolarHBondContact N-OE2 2.82Å; G840-E852 WeakPolarHBondContact O-CB 3.24Å; G840-E852 PolarHBondContact O-N 2.74Å
853	V	93.9	Very high	92.3	Very high	16 Å²	16	27.5 Å²	27.5	10%	0.097	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	126.1	169.9	173.3	0	0	0	0	109	W787 G801 I803 S855	W787-V853 HydrophobicContact CD2-CG2 4.13Å; W787-V853 HydrophobicContact CE3-CG2 4.16Å; W787-V853 HydrophobicContact CH2-CB 4.27Å; W787-V853 HydrophobicContact CH2-CG1 3.43Å; W787-V853 VanDerWaalsContact CH2-CG1 3.43Å; W787-V853 HydrophobicContact CH2-CG2 3.84Å; W787-V853 HydrophobicContact CZ2-CB 4.2Å; W787-V853 HydrophobicContact CZ2-CG1 3.26Å; W787-V853 HydrophobicContact CZ2-CG2 3.81Å; W787-V853 HydrophobicContact CZ3-CG1 4.37Å; W787-V853 HydrophobicContact CZ3-CG2 4.01Å; G801-V853 VanDerWaalsContact C-CG2 3.46Å; G801-V853 WeakPolarHBondContact O-CB 3.22Å; G801-V853 PolarHBondContact O-N 3.48Å; I803-V853 HydrophobicContact CD1-CG2 4.1Å; I803-V853 HydrophobicContact CG1-CG2 3.62Å; V853-S855 PolarHBondContact O-N 3.02Å
854	V	91.6	Very high	91.6	Very high	20 Å²	20	28 Å²	28	12%	0.121	15%	0.153	C	C	.	.			trans	-79.9	115.5	169.7	-175.2	0	0	0	0	109	L837 Y839 S857 K928 F934	L837-V854 HydrophobicContact CD1-CG1 3.8Å; L837-V854 HydrophobicContact CD2-CG1 4.26Å; L837-V854 HydrophobicContact CD2-CG2 3.57Å; Y839-V854 HydrophobicContact CG-CG2 4.49Å; V854-S857 PolarHBondContact O-OG 3.22Å; V854-K928 HydrophobicContact CG1-CD 3.65Å; V854-K928 HydrophobicContact CG1-CG 3.92Å; V854-F934 HydrophobicContact CB-CE1 4.46Å; V854-F934 HydrophobicContact CB-CE2 4.27Å; V854-F934 HydrophobicContact CB-CZ 3.78Å; V854-F934 HydrophobicContact CG1-CE1 4.13Å; V854-F934 HydrophobicContact CG1-CZ 3.96Å; V854-F934 HydrophobicContact CG2-CE2 3.88Å; V854-F934 HydrophobicContact CG2-CZ 3.9Å
855	S	85.9	Confident	90.8	Very high	39 Å²	39	30.5 Å²	30.5	27%	0.273	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	150.2	177.9	-64.1	0	0	0	0	111.6	S799 V853 S857	S799-S855 PolarHBondContact O-OG 3Å; V853-S855 PolarHBondContact O-N 3.02Å; S855-S857 VanDerWaalsContact C-N 3.25Å; S855-S857 PolarHBondContact O-N 2.85Å
856	T	88.1	Confident	89.9	Confident	62 Å²	62	35.7 Å²	35.7	38%	0.38	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	30.6	176.1	68.5	0	0	0	0	115.1	K928 K929	T856-K928 WeakPolarHBondContact O-CA 3.31Å; T856-K929 WeakPolarHBondContact O-CG 2.75Å; T856-K929 PolarHBondContact O-N 2.72Å
857	S	92.2	Very high	88.6	Confident	23 Å²	23	35.3 Å²	35.3	16%	0.161	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	146.6	174.6	65.1	0	0	0	0	112.7	V854 S855 M926 V927	V854-S857 PolarHBondContact O-OG 3.22Å; S855-S857 VanDerWaalsContact C-N 3.25Å; S855-S857 PolarHBondContact O-N 2.85Å; S857-M926 VanDerWaalsContact OG-CE 3.27Å; S857-M926 WeakPolarHBondContact OG-CE 3.46Å; S857-V927 WeakPolarHBondContact CA-O 3.5Å
858	E	92	Very high	87	Confident	44 Å²	44	34.3 Å²	34.3	21%	0.206	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	151.9	173.9	-69.1	-178.6	-126.5	0	0	110.3	I863 W884 M926 V927	E858-I863 HydrophobicContact CB-CD1 4.09Å; E858-I863 HydrophobicContact CB-CG1 3.77Å; E858-W884 HydrophobicContact CB-CZ2 4.18Å; E858-W884 HydrophobicContact CG-CZ2 4.18Å; E858-W884 PolarHBondContact OE1-NE1 3.43Å; E858-M926 CarbonylContact O-C 3.45Å; E858-M926 VanDerWaalsContact O-CA 3.25Å; E858-M926 WeakPolarHBondContact O-CA 3.45Å; E858-V927 PolarHBondContact N-O 2.68Å; E858-V927 PolarHBondContact O-N 3.06Å
859	T	91.9	Very high	85	Confident	17 Å²	17	42.2 Å²	42.2	10%	0.104	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	150.6	171.8	72.5	0	0	0	0	109.3	A861 D862 I863 D923 M926	T859-A861 PolarHBondContact O-N 3.11Å; T859-D862 PolarHBondContact O-N 3.29Å; T859-D862 VanDerWaalsContact O-N 3.12Å; T859-D862 WeakPolarHBondContact OG1-CB 3.49Å; T859-D862 PolarHBondContact OG1-N 3Å; T859-D862 VanDerWaalsContact OG1-N 3.08Å; T859-D862 PolarHBondContact OG1-OD2 3.27Å; T859-I863 WeakPolarHBondContact O-CG1 3.45Å; T859-I863 PolarHBondContact O-N 3.05Å; T859-D923 WeakPolarHBondContact CG2-O 3.48Å; T859-M926 HydrophobicContact CG2-CE 4.17Å; T859-M926 HydrophobicContact CG2-CG 4.03Å; T859-M926 HydrophobicContact CG2-SD 4.44Å
860	I	90.1	Very high	83.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-59.4	-35.8	176	-64.7	169.6	0	0	0	110.6	I863 Q864 S922 I925 V927 F964 W1059	I860-I863 PolarHBondContact O-N 3.35Å; I860-Q864 HydrophobicContact CG2-CG 4.21Å; I860-Q864 WeakPolarHBondContact O-CB 3.29Å; I860-Q864 VanDerWaalsContact O-CG 3.3Å; I860-Q864 WeakPolarHBondContact O-CG 3.43Å; I860-Q864 PolarHBondContact O-N 3.37Å; I860-S922 PolarHBondContact N-O 2.99Å; I860-I925 HydrophobicContact CD1-CB 3.77Å; I860-I925 HydrophobicContact CD1-CG2 3.44Å; I860-I925 VanDerWaalsContact CD1-CG2 3.44Å; I860-I925 HydrophobicContact CG1-CG2 4.3Å; I860-I925 PolarHBondContact N-O 3.17Å; I860-V927 HydrophobicContact CG1-CG2 4.1Å; I860-F964 HydrophobicContact CD1-CE1 3.46Å; I860-F964 VanDerWaalsContact CD1-CE1 3.46Å; I860-F964 HydrophobicContact CD1-CZ 3.73Å; I860-W1059 HydrophobicContact CD1-CZ3 4.29Å
861	A	86.8	Confident	81.1	Confident	2 Å²	2	47.3 Å²	47.3	2%	0.017	27%	0.271	C	S	.	.	H	α-helix	trans	-59	-47	175.8	0	0	0	0	0	111.6	T859 Q864 L865 S922	T859-A861 PolarHBondContact O-N 3.11Å; A861-Q864 PolarHBondContact O-N 3.28Å; A861-L865 WeakPolarHBondContact O-CB 3.5Å; A861-L865 VanDerWaalsContact O-CG 3.23Å; A861-L865 WeakPolarHBondContact O-CG 3.38Å; A861-L865 PolarHBondContact O-N 2.94Å; A861-S922 PolarHBondContact N-O 2.75Å; A861-S922 VanDerWaalsContact N-O 3.09Å
862	D	87.3	Confident	79.1	Confident	71 Å²	71	48.4 Å²	48.4	38%	0.38	28%	0.283	S	S	.	.	H	α-helix	trans	-64.2	-43.2	178.3	-62.2	-37.5	0	0	0	111.5	T859 Q864 L865 N866	T859-D862 PolarHBondContact O-N 3.29Å; T859-D862 VanDerWaalsContact O-N 3.12Å; T859-D862 WeakPolarHBondContact OG1-CB 3.49Å; T859-D862 PolarHBondContact OG1-N 3Å; T859-D862 VanDerWaalsContact OG1-N 3.08Å; T859-D862 PolarHBondContact OG1-OD2 3.27Å; D862-Q864 VanDerWaalsContact C-N 3.34Å; D862-Q864 PolarHBondContact O-N 2.77Å; D862-L865 PolarHBondContact O-N 2.88Å; D862-N866 WeakPolarHBondContact O-CB 3.21Å; D862-N866 PolarHBondContact O-N 2.96Å; D862-N866 PolarHBondContact O-ND2 3.47Å
863	I	87.4	Confident	77.3	Confident	4 Å²	4	46.3 Å²	46.3	2%	0.021	28%	0.282	C	S	.	.	H	α-helix	trans	-59.5	-44.7	177.2	-65.3	168.7	0	0	0	111.1	E858 T859 I860 L881 W884 V927	E858-I863 HydrophobicContact CB-CD1 4.09Å; E858-I863 HydrophobicContact CB-CG1 3.77Å; T859-I863 WeakPolarHBondContact O-CG1 3.45Å; T859-I863 PolarHBondContact O-N 3.05Å; I860-I863 PolarHBondContact O-N 3.35Å; I863-L881 HydrophobicContact CD1-CD1 3.83Å; I863-L881 HydrophobicContact CG2-CD1 4.15Å; I863-W884 HydrophobicContact CB-CG 4.5Å; I863-W884 HydrophobicContact CD1-CD2 3.85Å; I863-W884 HydrophobicContact CD1-CE3 3.98Å; I863-W884 HydrophobicContact CD1-CG 4.36Å; I863-W884 HydrophobicContact CD1-CH2 4.26Å; I863-W884 HydrophobicContact CD1-CZ2 4.15Å; I863-W884 HydrophobicContact CD1-CZ3 4.18Å; I863-W884 HydrophobicContact CG1-CD2 4.04Å; I863-W884 HydrophobicContact CG1-CG 4.16Å; I863-W884 HydrophobicContact CG1-CZ2 4.4Å; I863-W884 HydrophobicContact CG2-CB 3.59Å; I863-W884 HydrophobicContact CG2-CD2 4.24Å; I863-W884 HydrophobicContact CG2-CG 3.63Å; I863-V927 HydrophobicContact CD1-CB 4.28Å
864	Q	83.3	Confident	75.6	Confident	13 Å²	13	45.6 Å²	45.6	6%	0.061	28%	0.278	C	S	.	.	H	α-helix	trans	-65.6	-48.4	178.8	-73.4	175.4	-18.7	0	0	111.1	I860 A861 D862 N866 S867 A874 A880 D963	I860-Q864 HydrophobicContact CG2-CG 4.21Å; I860-Q864 WeakPolarHBondContact O-CB 3.29Å; I860-Q864 VanDerWaalsContact O-CG 3.3Å; I860-Q864 WeakPolarHBondContact O-CG 3.43Å; I860-Q864 PolarHBondContact O-N 3.37Å; A861-Q864 PolarHBondContact O-N 3.28Å; D862-Q864 VanDerWaalsContact C-N 3.34Å; D862-Q864 PolarHBondContact O-N 2.77Å; Q864-N866 VanDerWaalsContact C-N 3.32Å; Q864-N866 PolarHBondContact O-N 3.13Å; Q864-S867 WeakPolarHBondContact O-CB 2.85Å; Q864-S867 PolarHBondContact O-N 3.09Å; Q864-S867 VanDerWaalsContact O-N 3.12Å; Q864-S867 PolarHBondContact O-OG 3.47Å; Q864-A874 VanDerWaalsContact O-CB 3.3Å; Q864-A874 WeakPolarHBondContact O-CB 3.34Å; Q864-A880 HydrophobicContact CG-CB 4.45Å; Q864-D963 PolarHBondContact NE2-OD2 3.22Å
865	L	78.3	Confident	73.9	Confident	59 Å²	59	45.1 Å²	45.1	31%	0.309	28%	0.276	S	S	.	.	H	α-helix	trans	-59.4	-39.6	-179.7	-73.7	171	0	0	0	112.6	A861 D862 S867 S868 A871	A861-L865 WeakPolarHBondContact O-CB 3.5Å; A861-L865 VanDerWaalsContact O-CG 3.23Å; A861-L865 WeakPolarHBondContact O-CG 3.38Å; A861-L865 PolarHBondContact O-N 2.94Å; D862-L865 PolarHBondContact O-N 2.88Å; L865-S867 PolarHBondContact O-N 3.06Å; L865-S867 VanDerWaalsContact O-N 3.15Å; L865-S868 PolarHBondContact O-N 2.72Å; L865-A871 HydrophobicContact CD2-CB 3.67Å
866	N	73.2	Confident	72.7	Confident	122 Å²	122	48.1 Å²	48.1	65%	0.652	28%	0.284	S	S	*	.	H	α-helix	trans	-66.2	-16.2	179.8	-70.1	-20.7	0	0	0	113.4	D862 Q864	D862-N866 WeakPolarHBondContact O-CB 3.21Å; D862-N866 PolarHBondContact O-N 2.96Å; D862-N866 PolarHBondContact O-ND2 3.47Å; Q864-N866 VanDerWaalsContact C-N 3.32Å; Q864-N866 PolarHBondContact O-N 3.13Å
867	S	63.8	Low	71.7	Confident	52 Å²	52	47.6 Å²	47.6	36%	0.364	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-10.4	-179.5	75.6	0	0	0	0	114.9	Q864 L865 N877	Q864-S867 WeakPolarHBondContact O-CB 2.85Å; Q864-S867 PolarHBondContact O-N 3.09Å; Q864-S867 VanDerWaalsContact O-N 3.12Å; Q864-S867 PolarHBondContact O-OG 3.47Å; L865-S867 PolarHBondContact O-N 3.06Å; L865-S867 VanDerWaalsContact O-N 3.15Å; S867-N877 PolarHBondContact OG-ND2 3.16Å
868	S	57.5	Low	70.7	Confident	44 Å²	44	49.6 Å²	49.6	31%	0.308	29%	0.285	S	S	.	.			trans	-162	140.7	178.5	-175.4	0	0	0	0	113	L865 V870	L865-S868 PolarHBondContact O-N 2.72Å; S868-V870 PolarHBondContact O-N 3.47Å
869	N	52.8	Low	70.2	Confident	178 Å²	178	50.7 Å²	50.7	95%	0.952	29%	0.292	S	S	*	.	S	Bend	trans	-68.2	-0.5	-177.9	-65.9	-22.9	0	0	0	115.4
870	V	58.1	Low	69.9	Low	89 Å²	89	50 Å²	50	54%	0.539	29%	0.288	S	S	.	.	S	Bend	trans	-126.5	113.6	180	-176.9	0	0	0	0	109.1	S868 A872 A873 A874	S868-V870 PolarHBondContact O-N 3.47Å; V870-A872 PolarHBondContact O-N 2.96Å; V870-A872 VanDerWaalsContact O-N 3.11Å; V870-A873 HydrophobicContact CB-CB 4.14Å; V870-A873 HydrophobicContact CG1-CB 4.47Å; V870-A873 PolarHBondContact O-N 3.26Å; V870-A874 WeakPolarHBondContact O-CB 3.22Å; V870-A874 PolarHBondContact O-N 3.04Å
871	A	55	Low	69.9	Low	23 Å²	23	50.2 Å²	50.2	19%	0.19	29%	0.289	C	S	.	.	H	α-helix	trans	-53.2	-36.8	-173.7	0	0	0	0	0	114.4	L865 A875 D1067	L865-A871 HydrophobicContact CD2-CB 3.67Å; A871-A875 WeakPolarHBondContact O-CB 3.14Å; A871-A875 PolarHBondContact O-N 3.09Å; A871-A875 VanDerWaalsContact O-N 3.15Å; A871-D1067 WeakPolarHBondContact CB-OD2 3.47Å
872	A	54.8	Low	70.1	Confident	45 Å²	45	50.2 Å²	50.2	37%	0.372	29%	0.289	S	S	.	.	H	α-helix	trans	-66.9	-45.1	174.9	0	0	0	0	0	112.3	V870 F876	V870-A872 PolarHBondContact O-N 2.96Å; V870-A872 VanDerWaalsContact O-N 3.11Å; A872-F876 WeakPolarHBondContact O-CD2 3.47Å; A872-F876 PolarHBondContact O-N 2.86Å
873	A	58.2	Low	70.2	Confident	50 Å²	50	50.5 Å²	50.5	41%	0.413	29%	0.291	S	S	.	.	H	α-helix	trans	-71.4	-36.9	179.9	0	0	0	0	0	112.3	V870 F876 N877	V870-A873 HydrophobicContact CB-CB 4.14Å; V870-A873 HydrophobicContact CG1-CB 4.47Å; V870-A873 PolarHBondContact O-N 3.26Å; A873-F876 PolarHBondContact O-N 2.85Å; A873-N877 PolarHBondContact O-N 2.91Å
874	A	58.1	Low	70.5	Confident	1 Å²	1	51 Å²	51	1%	0.008	29%	0.292	C	S	.	.	H	α-helix	trans	-56.1	-47.6	172	0	0	0	0	0	112.5	Q864 V870 F876 N877	Q864-A874 VanDerWaalsContact O-CB 3.3Å; Q864-A874 WeakPolarHBondContact O-CB 3.34Å; V870-A874 WeakPolarHBondContact O-CB 3.22Å; V870-A874 PolarHBondContact O-N 3.04Å; A874-F876 PolarHBondContact O-N 3.46Å; A874-N877 WeakPolarHBondContact O-CB 3.44Å; A874-N877 PolarHBondContact O-N 2.8Å; A874-N877 VanDerWaalsContact O-N 3.15Å
875	A	57	Low	70.9	Confident	10 Å²	10	50.4 Å²	50.4	8%	0.083	29%	0.289	C	S	.	.	H	α-helix	trans	-66.9	-21.7	179	0	0	0	0	0	113.7	A871 K1056 M1060	A871-A875 WeakPolarHBondContact O-CB 3.14Å; A871-A875 PolarHBondContact O-N 3.09Å; A871-A875 VanDerWaalsContact O-N 3.15Å; A875-K1056 WeakPolarHBondContact O-CE 3.26Å; A875-K1056 PolarHBondContact O-NZ 2.93Å; A875-M1060 HydrophobicContact CB-CB 4.5Å; A875-M1060 HydrophobicContact CB-CG 4.27Å
876	F	60.2	Low	71.6	Confident	102 Å²	102	52 Å²	52	45%	0.447	29%	0.294	S	S	.	.	H	α-helix	trans	-84.6	-12.9	174.9	-79.6	-69.3	0	0	0	113.8	A872 A873 A874 K878 W1053 M1060	A872-F876 WeakPolarHBondContact O-CD2 3.47Å; A872-F876 PolarHBondContact O-N 2.86Å; A873-F876 PolarHBondContact O-N 2.85Å; A874-F876 PolarHBondContact O-N 3.46Å; F876-K878 PolarHBondContact O-N 3.27Å; F876-W1053 HydrophobicContact CD1-CH2 4.45Å; F876-M1060 HydrophobicContact CD2-SD 4.36Å; F876-M1060 HydrophobicContact CE1-SD 4.3Å; F876-M1060 HydrophobicContact CE2-SD 3.47Å; F876-M1060 WeakPolarHBondContact CE2-SD 3Å; F876-M1060 HydrophobicContact CZ-CE 4.02Å; F876-M1060 HydrophobicContact CZ-SD 3.43Å; F876-M1060 WeakPolarHBondContact CZ-SD 3.4Å
877	N	68.6	Low	72.5	Confident	50 Å²	50	52.8 Å²	52.8	27%	0.267	29%	0.293	S	S	.	.			trans	-72.4	96.1	180	-173.3	1.7	0	0	0	111.1	S867 A873 A874 D879 A880	S867-N877 PolarHBondContact OG-ND2 3.16Å; A873-N877 PolarHBondContact O-N 2.91Å; A874-N877 WeakPolarHBondContact O-CB 3.44Å; A874-N877 PolarHBondContact O-N 2.8Å; A874-N877 VanDerWaalsContact O-N 3.15Å; N877-D879 PolarHBondContact O-N 3Å; N877-D879 PolarHBondContact OD1-N 3.21Å; N877-D879 VanDerWaalsContact OD1-N 3.12Å; N877-A880 HydrophobicContact CB-CB 4.07Å; N877-A880 WeakPolarHBondContact O-CB 3.43Å; N877-A880 PolarHBondContact O-N 3.02Å; N877-A880 PolarHBondContact OD1-N 3.09Å
878	K	70.6	Confident	73.8	Confident	66 Å²	66	54.5 Å²	54.5	29%	0.287	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-26.8	178.6	-69	169	165.9	-166.7	0	112.5	F876 Y962 H966 W1053	F876-K878 PolarHBondContact O-N 3.27Å; K878-Y962 HydrophobicContact CB-CE1 4.25Å; K878-Y962 HydrophobicContact CD-CD1 4Å; K878-Y962 HydrophobicContact CD-CE1 3.35Å; K878-Y962 HydrophobicContact CG-CD1 3.96Å; K878-Y962 HydrophobicContact CG-CE1 3.72Å; K878-Y962 VanDerWaalsContact NZ-CZ 3.3Å; K878-Y962 PolarHBondContact NZ-OH 2.64Å; K878-H966 PolarHBondContact O-CD2 3.48Å; K878-W1053 VanDerWaalsContact CE-CZ3 3.44Å
879	D	81.4	Confident	75.5	Confident	66 Å²	66	53.3 Å²	53.3	35%	0.353	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-9	-178.7	-65.3	-61.9	0	0	0	113.3	N877 L881 L882 N883 H966	N877-D879 PolarHBondContact O-N 3Å; N877-D879 PolarHBondContact OD1-N 3.21Å; N877-D879 VanDerWaalsContact OD1-N 3.12Å; D879-L881 PolarHBondContact O-N 2.87Å; D879-L882 PolarHBondContact O-N 2.91Å; D879-N883 VanDerWaalsContact O-CB 3.23Å; D879-N883 WeakPolarHBondContact O-CB 3.31Å; D879-N883 PolarHBondContact O-N 2.9Å; D879-N883 PolarHBondContact O-ND2 3.15Å; D879-H966 IonicContact OD1-CD2 2.86Å; D879-H966 IonicContact OD1-CE1 3.67Å; D879-H966 IonicContact OD1-NE2 3.71Å; D879-H966 PolarHBondContact OD1-NE2 3.23Å
880	A	86.3	Confident	77.2	Confident	4 Å²	4	49.2 Å²	49.2	3%	0.033	27%	0.268	C	S	.	.	H	α-helix	trans	-55.3	-49.9	-174.3	0	0	0	0	0	112.5	Q864 N877 N883 W884	Q864-A880 HydrophobicContact CG-CB 4.45Å; N877-A880 HydrophobicContact CB-CB 4.07Å; N877-A880 WeakPolarHBondContact O-CB 3.43Å; N877-A880 PolarHBondContact O-N 3.02Å; N877-A880 PolarHBondContact OD1-N 3.09Å; A880-N883 PolarHBondContact O-N 3.31Å; A880-W884 WeakPolarHBondContact O-CB 3.19Å; A880-W884 PolarHBondContact O-N 3.03Å
881	L	89	Confident	78.7	Confident	4 Å²	4	47.8 Å²	47.8	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-67	-41.8	-178.4	-173.9	60.2	0	0	0	112	I863 D879 W884 L885 F901 V927 F964 V967	I863-L881 HydrophobicContact CD1-CD1 3.83Å; I863-L881 HydrophobicContact CG2-CD1 4.15Å; D879-L881 PolarHBondContact O-N 2.87Å; L881-W884 PolarHBondContact O-N 3.19Å; L881-L885 WeakPolarHBondContact O-CG 3.28Å; L881-L885 PolarHBondContact O-N 3.24Å; L881-L885 VanDerWaalsContact O-N 3.11Å; L881-F901 HydrophobicContact CD2-CE2 3.96Å; L881-F901 HydrophobicContact CD2-CZ 4.03Å; L881-V927 HydrophobicContact CD1-CG2 4.14Å; L881-F964 HydrophobicContact CD2-CD1 4.4Å; L881-V967 HydrophobicContact CB-CG2 4.18Å; L881-V967 HydrophobicContact CD2-CG2 3.89Å; L881-V967 HydrophobicContact CG-CG2 3.91Å
882	L	90.8	Very high	80.2	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.01	30%	0.298	C	S	.	.	H	α-helix	trans	-67.8	-39.1	177.7	-179.1	60	0	0	0	111.7	D879 L885 K886 I898 V967	D879-L882 PolarHBondContact O-N 2.91Å; L882-L885 PolarHBondContact O-N 2.87Å; L882-K886 HydrophobicContact CG-CD 4.42Å; L882-K886 WeakPolarHBondContact O-CG 3.45Å; L882-K886 PolarHBondContact O-N 3.33Å; L882-I898 HydrophobicContact CD1-CD1 4.06Å; L882-V967 HydrophobicContact CB-CG2 4.19Å
883	N	90.4	Very high	81.7	Confident	77 Å²	77	54.5 Å²	54.5	41%	0.412	30%	0.298	S	S	.	.	H	α-helix	trans	-68.4	-38.8	177.5	-71.2	-17.6	0	0	0	111.6	D879 A880 L885 K886 E887	D879-N883 VanDerWaalsContact O-CB 3.23Å; D879-N883 WeakPolarHBondContact O-CB 3.31Å; D879-N883 PolarHBondContact O-N 2.9Å; D879-N883 PolarHBondContact O-ND2 3.15Å; A880-N883 PolarHBondContact O-N 3.31Å; N883-L885 VanDerWaalsContact C-N 3.32Å; N883-L885 PolarHBondContact O-N 3.49Å; N883-K886 CarbonylContact O-C 3.58Å; N883-K886 WeakPolarHBondContact O-CB 3.46Å; N883-K886 PolarHBondContact O-N 3.44Å; N883-E887 PolarHBondContact O-N 3.38Å
884	W	92.3	Very high	83.3	Confident	14 Å²	14	53.6 Å²	53.6	5%	0.053	29%	0.286	C	S	.	.	H	α-helix	trans	-60.9	-41.3	172.5	-176.9	92.2	0	0	0	111.3	E858 I863 A880 L881 K886 E887 Y888 V927 K928 K929	E858-W884 HydrophobicContact CB-CZ2 4.18Å; E858-W884 HydrophobicContact CG-CZ2 4.18Å; E858-W884 PolarHBondContact OE1-NE1 3.43Å; I863-W884 HydrophobicContact CB-CG 4.5Å; I863-W884 HydrophobicContact CD1-CD2 3.85Å; I863-W884 HydrophobicContact CD1-CE3 3.98Å; I863-W884 HydrophobicContact CD1-CG 4.36Å; I863-W884 HydrophobicContact CD1-CH2 4.26Å; I863-W884 HydrophobicContact CD1-CZ2 4.15Å; I863-W884 HydrophobicContact CD1-CZ3 4.18Å; I863-W884 HydrophobicContact CG1-CD2 4.04Å; I863-W884 HydrophobicContact CG1-CG 4.16Å; I863-W884 HydrophobicContact CG1-CZ2 4.4Å; I863-W884 HydrophobicContact CG2-CB 3.59Å; I863-W884 HydrophobicContact CG2-CD2 4.24Å; I863-W884 HydrophobicContact CG2-CG 3.63Å; A880-W884 WeakPolarHBondContact O-CB 3.19Å; A880-W884 PolarHBondContact O-N 3.03Å; L881-W884 PolarHBondContact O-N 3.19Å; W884-K886 PolarHBondContact O-N 3.45Å; W884-E887 WeakPolarHBondContact O-CB 3.18Å; W884-E887 PolarHBondContact O-N 2.97Å; W884-Y888 AromaticContact CD1-CE2 3.9Å; W884-Y888 HydrophobicContact CD2-CD2 4.15Å; W884-Y888 HydrophobicContact CD2-CE2 4.1Å; W884-Y888 AromaticContact CE2-CD2 4Å; W884-Y888 AromaticContact CE2-CE2 3.61Å; W884-Y888 HydrophobicContact CG-CE2 4.28Å; W884-Y888 HydrophobicContact CZ2-CD2 4.28Å; W884-Y888 HydrophobicContact CZ2-CE2 4.04Å; W884-Y888 AromaticContact NE1-CE2 3.51Å; W884-Y888 VanDerWaalsContact O-CD2 3.23Å; W884-Y888 WeakPolarHBondContact O-CD2 3.39Å; W884-V927 WeakPolarHBondContact CH2-O 3.27Å; W884-V927 HydrophobicContact CZ3-CB 4.33Å; W884-V927 HydrophobicContact CZ3-CG1 4Å; W884-K928 WeakPolarHBondContact CZ3-O 3.48Å; W884-K929 HydrophobicContact CH2-CB 4.34Å; W884-K929 HydrophobicContact CH2-CG 3.77Å; W884-K929 HydrophobicContact CZ2-CG 3.86Å
885	L	93.1	Very high	84.9	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-64	-40.4	172.9	-69.7	175	0	0	0	112.5	L881 L882 N883 E887 Y888 N889 L894 F901 V927 V967	L881-L885 WeakPolarHBondContact O-CG 3.28Å; L881-L885 PolarHBondContact O-N 3.24Å; L881-L885 VanDerWaalsContact O-N 3.11Å; L882-L885 PolarHBondContact O-N 2.87Å; N883-L885 VanDerWaalsContact C-N 3.32Å; N883-L885 PolarHBondContact O-N 3.49Å; L885-E887 VanDerWaalsContact C-N 3.27Å; L885-E887 PolarHBondContact O-N 3.39Å; L885-Y888 PolarHBondContact O-N 2.98Å; L885-N889 WeakPolarHBondContact O-CB 3.47Å; L885-N889 PolarHBondContact O-N 3.17Å; L885-N889 PolarHBondContact O-ND2 3.03Å; L885-L894 HydrophobicContact CB-CD1 4.4Å; L885-F901 HydrophobicContact CD1-CD2 4.41Å; L885-V927 HydrophobicContact CD2-CG1 4.24Å; L885-V967 HydrophobicContact CD1-CG1 3.8Å
886	K	91.9	Very high	86.4	Confident	94 Å²	94	61.1 Å²	61.1	41%	0.409	32%	0.318	S	S	.	.	H	α-helix	trans	-64.7	-28.8	175.1	-72.4	169.9	179	171.6	0	113.4	L882 N883 W884 Y888 N889 L894	L882-K886 HydrophobicContact CG-CD 4.42Å; L882-K886 WeakPolarHBondContact O-CG 3.45Å; L882-K886 PolarHBondContact O-N 3.33Å; N883-K886 CarbonylContact O-C 3.58Å; N883-K886 WeakPolarHBondContact O-CB 3.46Å; N883-K886 PolarHBondContact O-N 3.44Å; W884-K886 PolarHBondContact O-N 3.45Å; K886-Y888 VanDerWaalsContact C-N 3.32Å; K886-N889 VanDerWaalsContact O-O 3.07Å; K886-L894 HydrophobicContact CG-CD1 3.82Å; K886-L894 HydrophobicContact CG-CD2 3.69Å; K886-L894 HydrophobicContact CG-CG 4.42Å
887	E	92.4	Very high	88	Confident	137 Å²	137	56.3 Å²	56.3	64%	0.64	30%	0.297	S	S	*	.	H	α-helix	trans	-65.7	-37.8	177.7	-172.3	-177.2	162.8	0	0	111.5	N883 W884 L885	N883-E887 PolarHBondContact O-N 3.38Å; W884-E887 WeakPolarHBondContact O-CB 3.18Å; W884-E887 PolarHBondContact O-N 2.97Å; L885-E887 VanDerWaalsContact C-N 3.27Å; L885-E887 PolarHBondContact O-N 3.39Å
888	Y	91.4	Very high	89.2	Confident	89 Å²	89	54.1 Å²	54.1	35%	0.349	29%	0.285	S	S	.	.	H	α-helix	trans	-99.4	-11.7	-177	-63.9	-68.3	0	0	0	114.6	W884 L885 K886 K929	W884-Y888 AromaticContact CD1-CE2 3.9Å; W884-Y888 HydrophobicContact CD2-CD2 4.15Å; W884-Y888 HydrophobicContact CD2-CE2 4.1Å; W884-Y888 AromaticContact CE2-CD2 4Å; W884-Y888 AromaticContact CE2-CE2 3.61Å; W884-Y888 HydrophobicContact CG-CE2 4.28Å; W884-Y888 HydrophobicContact CZ2-CD2 4.28Å; W884-Y888 HydrophobicContact CZ2-CE2 4.04Å; W884-Y888 AromaticContact NE1-CE2 3.51Å; W884-Y888 VanDerWaalsContact O-CD2 3.23Å; W884-Y888 WeakPolarHBondContact O-CD2 3.39Å; L885-Y888 PolarHBondContact O-N 2.98Å; K886-Y888 VanDerWaalsContact C-N 3.32Å; Y888-K929 HydrophobicContact CD1-CD 3.68Å; Y888-K929 HydrophobicContact CD1-CG 4.25Å; Y888-K929 HydrophobicContact CD2-CB 4.48Å; Y888-K929 HydrophobicContact CD2-CD 4.18Å; Y888-K929 HydrophobicContact CD2-CG 3.91Å; Y888-K929 HydrophobicContact CE1-CD 3.77Å; Y888-K929 HydrophobicContact CE2-CD 4.28Å; Y888-K929 HydrophobicContact CE2-CG 4.24Å; Y888-K929 HydrophobicContact CG-CB 4.21Å; Y888-K929 HydrophobicContact CG-CD 3.89Å; Y888-K929 HydrophobicContact CG-CG 3.92Å; Y888-K929 VanDerWaalsContact CZ-CE 3.48Å; Y888-K929 PolarHBondContact OH-NZ 3.41Å
889	N	92.1	Very high	90.2	Very high	18 Å²	18	52.4 Å²	52.4	10%	0.096	28%	0.278	C	S	.	.			trans	-134.1	126.5	-175.9	-53.4	-87.8	0	0	0	110	L885 K886 D893 L894 A897 K929	L885-N889 WeakPolarHBondContact O-CB 3.47Å; L885-N889 PolarHBondContact O-N 3.17Å; L885-N889 PolarHBondContact O-ND2 3.03Å; K886-N889 VanDerWaalsContact O-O 3.07Å; N889-D893 HydrophobicContact CB-CB 4.14Å; N889-L894 HydrophobicContact CB-CB 4.29Å; N889-L894 HydrophobicContact CB-CD1 4.38Å; N889-A897 HydrophobicContact CB-CB 4.11Å; N889-K929 PolarHBondContact ND2-O 2.76Å; N889-K929 PolarHBondContact OD1-O 3.08Å
890	S	89.9	Confident	90.8	Very high	93 Å²	93	50.4 Å²	50.4	65%	0.65	27%	0.267	S	S	*	.			trans	-125.6	148.9	-177.3	62.9	0	0	0	0	112	D892 D893	S890-D892 PolarHBondContact O-N 2.95Å; S890-D893 WeakPolarHBondContact O-CB 3.27Å; S890-D893 PolarHBondContact O-N 3.42Å
891	G	90.1	Very high	91.3	Very high	58 Å²	58	50.2 Å²	50.2	60%	0.598	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	-131.8	-177.4	0	0	0	0	0	112.3	D893 L894	G891-D893 PolarHBondContact O-N 3.12Å; G891-L894 WeakPolarHBondContact O-CB 3.42Å; G891-L894 PolarHBondContact O-N 3.06Å
892	D	85.6	Confident	91.6	Very high	141 Å²	141	50.2 Å²	50.2	75%	0.754	27%	0.265	S	S	*	.	H	α-helix	trans	-59.5	-25.8	-179.4	-62.7	-10.9	0	0	0	113.5	S890 L894 D895 R896	S890-D892 PolarHBondContact O-N 2.95Å; D892-L894 VanDerWaalsContact C-N 3.27Å; D892-L894 PolarHBondContact O-N 2.88Å; D892-D895 PolarHBondContact O-N 3.38Å; D892-R896 PolarHBondContact O-N 2.93Å; D892-R896 VanDerWaalsContact O-N 3.14Å
893	D	87.1	Confident	91.8	Very high	68 Å²	68	51 Å²	51	36%	0.364	27%	0.269	S	S	.	.	H	α-helix	trans	-67.1	-30.1	176.8	-72.9	-38.1	0	0	0	112.2	N889 S890 G891 R896 A897	N889-D893 HydrophobicContact CB-CB 4.14Å; S890-D893 WeakPolarHBondContact O-CB 3.27Å; S890-D893 PolarHBondContact O-N 3.42Å; G891-D893 PolarHBondContact O-N 3.12Å; D893-R896 PolarHBondContact O-N 3.14Å; D893-R896 IonicContact OD1-CZ 4Å; D893-R896 IonicContact OD1-NE 2.86Å; D893-R896 IonicContact OD1-NH2 3.58Å; D893-R896 PolarHBondContact OD1-NH2 3.35Å; D893-A897 WeakPolarHBondContact O-CB 3.49Å; D893-A897 PolarHBondContact O-N 2.82Å
894	L	91.6	Very high	92.2	Very high	32 Å²	32	47.3 Å²	47.3	17%	0.168	25%	0.25	C	C	.	.	H	α-helix	trans	-69.3	-44.5	177	179.8	62.9	0	0	0	111.2	L885 K886 N889 G891 D892 R896 A897 I898	L885-L894 HydrophobicContact CB-CD1 4.4Å; K886-L894 HydrophobicContact CG-CD1 3.82Å; K886-L894 HydrophobicContact CG-CD2 3.69Å; K886-L894 HydrophobicContact CG-CG 4.42Å; N889-L894 HydrophobicContact CB-CB 4.29Å; N889-L894 HydrophobicContact CB-CD1 4.38Å; G891-L894 WeakPolarHBondContact O-CB 3.42Å; G891-L894 PolarHBondContact O-N 3.06Å; D892-L894 VanDerWaalsContact C-N 3.27Å; D892-L894 PolarHBondContact O-N 2.88Å; L894-R896 PolarHBondContact O-N 3.4Å; L894-A897 PolarHBondContact O-N 2.94Å; L894-I898 HydrophobicContact CD1-CD1 4.12Å; L894-I898 HydrophobicContact CD1-CG1 4.31Å; L894-I898 HydrophobicContact CG-CD1 4.03Å; L894-I898 WeakPolarHBondContact O-CG1 3.37Å; L894-I898 PolarHBondContact O-N 3.35Å
895	D	90.3	Very high	92.4	Very high	82 Å²	82	46.6 Å²	46.6	44%	0.439	25%	0.247	S	C	.	.	H	α-helix	trans	-61.3	-38.8	176.6	-77.4	-44.4	0	0	0	111	D892 I898 E899 Q970	D892-D895 PolarHBondContact O-N 3.38Å; D895-I898 PolarHBondContact O-N 3.25Å; D895-E899 WeakPolarHBondContact O-CB 3.42Å; D895-E899 PolarHBondContact O-N 3.06Å; D895-Q970 PolarHBondContact OD1-NE2 2.84Å
896	R	89.1	Confident	92.5	Very high	87 Å²	87	46.6 Å²	46.6	33%	0.328	25%	0.247	S	C	.	.	H	α-helix	trans	-63.4	-47.1	172	179.4	170.4	61.1	142	-4.2	112.3	D892 D893 L894 I898 E899 E900	D892-R896 PolarHBondContact O-N 2.93Å; D892-R896 VanDerWaalsContact O-N 3.14Å; D893-R896 PolarHBondContact O-N 3.14Å; D893-R896 IonicContact OD1-CZ 4Å; D893-R896 IonicContact OD1-NE 2.86Å; D893-R896 IonicContact OD1-NH2 3.58Å; D893-R896 PolarHBondContact OD1-NH2 3.35Å; L894-R896 PolarHBondContact O-N 3.4Å; R896-I898 VanDerWaalsContact C-N 3.28Å; R896-I898 PolarHBondContact O-N 2.97Å; R896-E899 WeakPolarHBondContact O-CB 3.27Å; R896-E899 PolarHBondContact O-N 3.28Å; R896-E899 VanDerWaalsContact O-N 3.12Å; R896-E900 HydrophobicContact CG-CG 4.4Å; R896-E900 WeakPolarHBondContact O-CG 3.3Å; R896-E900 PolarHBondContact O-N 2.93Å
897	A	93.4	Very high	92.8	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-61.7	-38	179.3	0	0	0	0	0	112	N889 D893 L894 F901 T930 G931	N889-A897 HydrophobicContact CB-CB 4.11Å; D893-A897 WeakPolarHBondContact O-CB 3.49Å; D893-A897 PolarHBondContact O-N 2.82Å; L894-A897 PolarHBondContact O-N 2.94Å; A897-F901 WeakPolarHBondContact O-CB 3.47Å; A897-F901 PolarHBondContact O-N 3.3Å; A897-T930 WeakPolarHBondContact CA-O 3.35Å; A897-G931 WeakPolarHBondContact O-CA 3.48Å
898	I	94	Very high	93	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-68.7	-36.4	174.9	-65.7	172.5	0	0	0	111.1	L882 L894 D895 R896 F901 T902 Q970	L882-I898 HydrophobicContact CD1-CD1 4.06Å; L894-I898 HydrophobicContact CD1-CD1 4.12Å; L894-I898 HydrophobicContact CD1-CG1 4.31Å; L894-I898 HydrophobicContact CG-CD1 4.03Å; L894-I898 WeakPolarHBondContact O-CG1 3.37Å; L894-I898 PolarHBondContact O-N 3.35Å; D895-I898 PolarHBondContact O-N 3.25Å; R896-I898 VanDerWaalsContact C-N 3.28Å; R896-I898 PolarHBondContact O-N 2.97Å; I898-F901 WeakPolarHBondContact O-CB 3.5Å; I898-F901 PolarHBondContact O-N 3.04Å; I898-T902 WeakPolarHBondContact O-CB 3.03Å; I898-T902 PolarHBondContact O-N 3.14Å; I898-T902 PolarHBondContact O-OG1 2.76Å; I898-Q970 HydrophobicContact CD1-CB 4.47Å; I898-Q970 HydrophobicContact CD1-CG 3.94Å; I898-Q970 HydrophobicContact CG2-CG 4.25Å
899	E	92.8	Very high	93.2	Very high	30 Å²	30	31.7 Å²	31.7	14%	0.14	18%	0.182	C	C	.	.	H	α-helix	trans	-67.1	-45.7	174.5	-169.8	66.6	-158	0	0	111.8	D895 R896 F901 T902 L903 K978 R981	D895-E899 WeakPolarHBondContact O-CB 3.42Å; D895-E899 PolarHBondContact O-N 3.06Å; R896-E899 WeakPolarHBondContact O-CB 3.27Å; R896-E899 PolarHBondContact O-N 3.28Å; R896-E899 VanDerWaalsContact O-N 3.12Å; E899-F901 VanDerWaalsContact C-N 3.29Å; E899-F901 PolarHBondContact O-N 3.07Å; E899-T902 PolarHBondContact O-N 3.37Å; E899-T902 VanDerWaalsContact O-N 3.12Å; E899-L903 HydrophobicContact CG-CD1 4.14Å; E899-L903 WeakPolarHBondContact O-CG 3.06Å; E899-L903 PolarHBondContact O-N 2.81Å; E899-K978 IonicContact OE2-NZ 3.03Å; E899-K978 PolarHBondContact OE2-NZ 2.96Å; E899-K978 VanDerWaalsContact OE2-NZ 3.11Å; E899-R981 IonicContact OE1-CZ 2.69Å; E899-R981 IonicContact OE1-NE 3.14Å; E899-R981 PolarHBondContact OE1-NE 2.94Å; E899-R981 IonicContact OE1-NH2 2.66Å; E899-R981 PolarHBondContact OE1-NH2 2.7Å; E899-R981 IonicContact OE2-NE 2.69Å
900	E	93.3	Very high	93.4	Very high	24 Å²	24	30.9 Å²	30.9	11%	0.112	18%	0.178	C	C	.	.	H	α-helix	trans	-57.5	-43.4	172.9	-70.8	-69.9	147.4	0	0	110.9	R835 R896 S904 Q932	R835-E900 WeakPolarHBondContact CB-OE2 3.47Å; R835-E900 WeakPolarHBondContact CD-OE2 3.17Å; R835-E900 VanDerWaalsContact CG-OE2 3.24Å; R835-E900 WeakPolarHBondContact CG-OE2 3.41Å; R835-E900 IonicContact CZ-OE1 3.85Å; R835-E900 IonicContact NE-OE1 2.7Å; R835-E900 IonicContact NH2-OE1 3.11Å; R896-E900 HydrophobicContact CG-CG 4.4Å; R896-E900 WeakPolarHBondContact O-CG 3.3Å; R896-E900 PolarHBondContact O-N 2.93Å; E900-S904 VanDerWaalsContact O-CB 3.29Å; E900-S904 WeakPolarHBondContact O-CB 3.45Å; E900-S904 PolarHBondContact O-N 3.22Å; E900-S904 PolarHBondContact O-OG 2.89Å; E900-Q932 HydrophobicContact CB-CG 4.02Å; E900-Q932 HydrophobicContact CG-CG 4.48Å; E900-Q932 WeakPolarHBondContact OE2-CG 3.11Å; E900-Q932 PolarHBondContact OE2-NE2 3.27Å
901	F	96.3	Very high	93.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59.9	-46.1	173.5	-174.6	-86	0	0	0	111.8	L881 L885 A897 I898 E899 S904 C905 V927 G931 L933 F964 V967 I968	L881-F901 HydrophobicContact CD2-CE2 3.96Å; L881-F901 HydrophobicContact CD2-CZ 4.03Å; L885-F901 HydrophobicContact CD1-CD2 4.41Å; A897-F901 WeakPolarHBondContact O-CB 3.47Å; A897-F901 PolarHBondContact O-N 3.3Å; I898-F901 WeakPolarHBondContact O-CB 3.5Å; I898-F901 PolarHBondContact O-N 3.04Å; E899-F901 VanDerWaalsContact C-N 3.29Å; E899-F901 PolarHBondContact O-N 3.07Å; F901-S904 PolarHBondContact O-OG 3.28Å; F901-C905 HydrophobicContact CD1-CB 4.47Å; F901-C905 HydrophobicContact CE1-CB 4.34Å; F901-C905 WeakPolarHBondContact O-CB 3.34Å; F901-C905 PolarHBondContact O-N 2.9Å; F901-V927 HydrophobicContact CD2-CG1 4.24Å; F901-V927 HydrophobicContact CE2-CG1 4.47Å; F901-V927 HydrophobicContact CE2-CG2 4.19Å; F901-G931 WeakPolarHBondContact CA-O 3.49Å; F901-G931 WeakPolarHBondContact CB-O 3.17Å; F901-G931 WeakPolarHBondContact CD2-O 3.44Å; F901-G931 PolarHBondContact N-O 3.03Å; F901-L933 HydrophobicContact CD2-CB 4.29Å; F901-L933 HydrophobicContact CE2-CB 4.25Å; F901-L933 HydrophobicContact CE2-CD1 3.71Å; F901-L933 HydrophobicContact CZ-CD1 3.8Å; F901-F964 HydrophobicContact CE1-CB 4.22Å; F901-F964 HydrophobicContact CE1-CD1 4.46Å; F901-F964 HydrophobicContact CZ-CB 4.3Å; F901-F964 AromaticContact CZ-CD1 3.71Å; F901-F964 HydrophobicContact CZ-CD1 3.71Å; F901-F964 HydrophobicContact CZ-CE1 4.33Å; F901-F964 HydrophobicContact CZ-CG 4.23Å; F901-V967 HydrophobicContact CB-CG1 4.37Å; F901-V967 HydrophobicContact CD1-CB 4.07Å; F901-V967 HydrophobicContact CD1-CG1 3.5Å; F901-V967 HydrophobicContact CD2-CG1 4.22Å; F901-V967 HydrophobicContact CE1-CB 3.81Å; F901-V967 HydrophobicContact CE1-CG1 3.76Å; F901-V967 HydrophobicContact CE2-CG1 4.44Å; F901-V967 HydrophobicContact CG-CG1 3.76Å; F901-V967 HydrophobicContact CZ-CB 4.2Å; F901-V967 HydrophobicContact CZ-CG1 4.23Å; F901-V967 HydrophobicContact CZ-CG2 4.44Å; F901-I968 HydrophobicContact CD1-CG1 4.15Å; F901-I968 HydrophobicContact CE1-CG1 4.21Å
902	T	95.8	Very high	93.9	Very high	4 Å²	4	23.7 Å²	23.7	3%	0.025	12%	0.119	C	C	.	.	H	α-helix	trans	-64.7	-46.4	-176.8	-58.3	0	0	0	0	111.5	I898 E899 A906 I968 F982	I898-T902 WeakPolarHBondContact O-CB 3.03Å; I898-T902 PolarHBondContact O-N 3.14Å; I898-T902 PolarHBondContact O-OG1 2.76Å; E899-T902 PolarHBondContact O-N 3.37Å; E899-T902 VanDerWaalsContact O-N 3.12Å; T902-A906 WeakPolarHBondContact O-CB 3.42Å; T902-A906 PolarHBondContact O-N 3.19Å; T902-I968 HydrophobicContact CG2-CG1 4.3Å; T902-I968 HydrophobicContact CG2-CG2 4.16Å; T902-F982 HydrophobicContact CG2-CB 3.8Å; T902-F982 HydrophobicContact CG2-CD2 3.97Å; T902-F982 HydrophobicContact CG2-CG 4.36Å
903	L	95.9	Very high	94.2	Very high	17 Å²	17	17.5 Å²	17.5	9%	0.089	9%	0.085	C	C	.	.	H	α-helix	trans	-68.1	-48.7	-179.3	-67.1	172.4	0	0	0	111.8	L834 R835 E899 C905 A906 G907	L834-L903 HydrophobicContact CD2-CD2 4.31Å; L834-L903 CarbonylContact O-C 3.52Å; R835-L903 HydrophobicContact CG-CB 3.93Å; R835-L903 HydrophobicContact CG-CD1 4.03Å; E899-L903 HydrophobicContact CG-CD1 4.14Å; E899-L903 WeakPolarHBondContact O-CG 3.06Å; E899-L903 PolarHBondContact O-N 2.81Å; L903-C905 PolarHBondContact O-N 3.02Å; L903-A906 WeakPolarHBondContact O-CB 3.37Å; L903-A906 PolarHBondContact O-N 3.49Å; L903-G907 PolarHBondContact O-N 3.33Å
904	S	96.9	Very high	94.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-64	-40.2	177.4	58.8	0	0	0	0	112	L834 E900 F901 A906 G907 Y908 L933	L834-S904 WeakPolarHBondContact O-CA 3.17Å; L834-S904 PolarHBondContact O-N 2.85Å; L834-S904 VanDerWaalsContact O-N 3.13Å; E900-S904 VanDerWaalsContact O-CB 3.29Å; E900-S904 WeakPolarHBondContact O-CB 3.45Å; E900-S904 PolarHBondContact O-N 3.22Å; E900-S904 PolarHBondContact O-OG 2.89Å; F901-S904 PolarHBondContact O-OG 3.28Å; S904-A906 VanDerWaalsContact C-N 3.34Å; S904-A906 PolarHBondContact O-N 2.9Å; S904-G907 PolarHBondContact O-N 3.11Å; S904-Y908 WeakPolarHBondContact O-CD2 3.39Å; S904-Y908 PolarHBondContact O-N 2.85Å; S904-L933 WeakPolarHBondContact CB-O 3.46Å; S904-L933 PolarHBondContact OG-N 3.18Å
905	C	96.6	Very high	94.8	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-60.6	-43.4	173.2	-173.5	0	0	0	0	111.4	F901 L903 G907 Y908 C909 L933 F982	F901-C905 HydrophobicContact CD1-CB 4.47Å; F901-C905 HydrophobicContact CE1-CB 4.34Å; F901-C905 WeakPolarHBondContact O-CB 3.34Å; F901-C905 PolarHBondContact O-N 2.9Å; L903-C905 PolarHBondContact O-N 3.02Å; C905-G907 PolarHBondContact O-N 2.96Å; C905-Y908 PolarHBondContact O-N 3.01Å; C905-C909 VanDerWaalsContact O-CB 3.28Å; C905-C909 WeakPolarHBondContact O-CB 3.44Å; C905-C909 PolarHBondContact O-N 3.08Å; C905-C909 PolarHBondContact O-SG 3.11Å; C905-L933 HydrophobicContact CB-CD1 4.49Å; C905-F982 HydrophobicContact CB-CE2 4.23Å
906	A	96.9	Very high	94.8	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-61	-46.4	177.8	0	0	0	0	0	111.5	T902 L903 S904 C909 V910 F982 C985	T902-A906 WeakPolarHBondContact O-CB 3.42Å; T902-A906 PolarHBondContact O-N 3.19Å; L903-A906 WeakPolarHBondContact O-CB 3.37Å; L903-A906 PolarHBondContact O-N 3.49Å; S904-A906 VanDerWaalsContact C-N 3.34Å; S904-A906 PolarHBondContact O-N 2.9Å; A906-C909 PolarHBondContact O-N 3.28Å; A906-V910 WeakPolarHBondContact O-CG2 3.43Å; A906-V910 PolarHBondContact O-N 2.96Å; A906-V910 VanDerWaalsContact O-N 3.11Å; A906-F982 HydrophobicContact CB-CD2 3.91Å; A906-F982 HydrophobicContact CB-CE2 3.83Å; A906-C985 HydrophobicContact CB-CB 3.96Å
907	G	97.2	Very high	94.9	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-60.1	-51.5	176.7	0	0	0	0	0	113	W827 L903 S904 C905 C909 V910 A911	W827-G907 WeakPolarHBondContact CH2-O 3.48Å; L903-G907 PolarHBondContact O-N 3.33Å; S904-G907 PolarHBondContact O-N 3.11Å; C905-G907 PolarHBondContact O-N 2.96Å; G907-C909 PolarHBondContact O-N 3.45Å; G907-V910 PolarHBondContact O-N 3.42Å; G907-A911 VanDerWaalsContact O-CB 3.3Å; G907-A911 WeakPolarHBondContact O-CB 3.36Å; G907-A911 PolarHBondContact O-N 2.85Å
908	Y	96.7	Very high	94.4	Very high	3 Å²	3	5 Å²	5	1%	0.012	3%	0.025	C	C	.	.	H	α-helix	trans	-67	-31.8	178.8	-82.9	-81	0	0	0	113.4	L820 M836 L837 S904 C905 S912 L933 F934 H935	L820-Y908 HydrophobicContact CD1-CE1 3.99Å; M836-Y908 HydrophobicContact CE-CD1 3.92Å; M836-Y908 HydrophobicContact CE-CD2 3.77Å; M836-Y908 HydrophobicContact CE-CE1 3.83Å; M836-Y908 HydrophobicContact CE-CE2 3.65Å; M836-Y908 HydrophobicContact CE-CG 3.88Å; M836-Y908 HydrophobicContact SD-CD2 3.72Å; M836-Y908 HydrophobicContact SD-CE2 3.75Å; M836-Y908 HydrophobicContact SD-CG 4.29Å; L837-Y908 PolarHBondContact N-OH 2.8Å; L837-Y908 PolarHBondContact O-OH 3.12Å; S904-Y908 WeakPolarHBondContact O-CD2 3.39Å; S904-Y908 PolarHBondContact O-N 2.85Å; C905-Y908 PolarHBondContact O-N 3.01Å; Y908-S912 WeakPolarHBondContact O-CB 3.28Å; Y908-S912 PolarHBondContact O-N 2.86Å; Y908-S912 PolarHBondContact O-OG 3.18Å; Y908-L933 HydrophobicContact CD2-CD2 4.28Å; Y908-L933 VanDerWaalsContact CD2-O 3.25Å; Y908-L933 WeakPolarHBondContact CD2-O 3.3Å; Y908-L933 WeakPolarHBondContact CE2-O 3.46Å; Y908-L933 HydrophobicContact CG-CD2 4.35Å; Y908-F934 HydrophobicContact CE1-CB 4.31Å; Y908-F934 HydrophobicContact CE2-CB 3.67Å; Y908-F934 WeakPolarHBondContact OH-CB 3.47Å; Y908-H935 HydrophobicContact CD1-CB 3.87Å; Y908-H935 AromaticContact CD1-CD2 3.84Å; Y908-H935 AromaticContact CD1-CG 3.68Å; Y908-H935 HydrophobicContact CE1-CB 4.03Å
909	C	94.7	Very high	93.8	Very high	4 Å²	4	5.8 Å²	5.8	3%	0.027	3%	0.029	C	C	.	.	H	α-helix	trans	-62.9	-47.5	173.5	-74	0	0	0	0	111.5	C905 A906 G907 S912 Y913 F958 I959	C905-C909 VanDerWaalsContact O-CB 3.28Å; C905-C909 WeakPolarHBondContact O-CB 3.44Å; C905-C909 PolarHBondContact O-N 3.08Å; C905-C909 PolarHBondContact O-SG 3.11Å; A906-C909 PolarHBondContact O-N 3.28Å; G907-C909 PolarHBondContact O-N 3.45Å; C909-S912 PolarHBondContact O-OG 3.43Å; C909-Y913 WeakPolarHBondContact O-CB 3.39Å; C909-Y913 PolarHBondContact O-N 3.14Å; C909-F958 HydrophobicContact CB-CE1 4.23Å; C909-F958 HydrophobicContact CB-CE2 3.8Å; C909-F958 HydrophobicContact CB-CZ 3.55Å; C909-I959 PolarHBondContact SG-O 3.19Å
910	V	97.1	Very high	93.5	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-67.8	-47.3	178.3	174.5	0	0	0	0	110.9	W827 A906 G907 S912 Y913 V914 C986 A989 L993 F1041	W827-V910 HydrophobicContact CZ2-CB 4.4Å; W827-V910 HydrophobicContact CZ2-CG1 4.13Å; A906-V910 WeakPolarHBondContact O-CG2 3.43Å; A906-V910 PolarHBondContact O-N 2.96Å; A906-V910 VanDerWaalsContact O-N 3.11Å; G907-V910 PolarHBondContact O-N 3.42Å; V910-S912 PolarHBondContact O-N 3.1Å; V910-Y913 PolarHBondContact O-N 3.39Å; V910-V914 HydrophobicContact CG1-CG2 4.26Å; V910-V914 WeakPolarHBondContact O-CG2 3.46Å; V910-V914 PolarHBondContact O-N 3.07Å; V910-C986 HydrophobicContact CG2-CB 3.98Å; V910-C986 WeakPolarHBondContact CG2-O 3.39Å; V910-A989 HydrophobicContact CB-CB 4.41Å; V910-A989 HydrophobicContact CG1-CB 4.3Å; V910-A989 HydrophobicContact CG2-CB 4.12Å; V910-L993 HydrophobicContact CG1-CD1 4.05Å; V910-F1041 HydrophobicContact CG2-CZ 4.04Å
911	A	96.4	Very high	93.1	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-61.8	-44.7	-178.9	0	0	0	0	0	112.8	L820 M823 W827 M836 G907 Y913 V914 L915	L820-A911 HydrophobicContact CD2-CB 3.46Å; L820-A911 VanDerWaalsContact CD2-CB 3.46Å; M823-A911 HydrophobicContact SD-CB 3.52Å; M823-A911 VanDerWaalsContact SD-CB 3.52Å; W827-A911 HydrophobicContact CH2-CB 4.18Å; M836-A911 HydrophobicContact CE-CB 4.38Å; G907-A911 VanDerWaalsContact O-CB 3.3Å; G907-A911 WeakPolarHBondContact O-CB 3.36Å; G907-A911 PolarHBondContact O-N 2.85Å; A911-Y913 VanDerWaalsContact C-N 3.33Å; A911-Y913 PolarHBondContact O-N 3.31Å; A911-V914 PolarHBondContact O-N 3.05Å; A911-L915 WeakPolarHBondContact O-CB 3.23Å; A911-L915 WeakPolarHBondContact O-CG 3.45Å; A911-L915 PolarHBondContact O-N 3.16Å
912	S	93.3	Very high	92.6	Very high	1 Å²	1	4.4 Å²	4.4	1%	0.007	2%	0.022	C	C	.	.	H	α-helix	trans	-65.3	-36.5	178.2	58.1	0	0	0	0	112.6	Y908 C909 V910 G916 I917	Y908-S912 WeakPolarHBondContact O-CB 3.28Å; Y908-S912 PolarHBondContact O-N 2.86Å; Y908-S912 PolarHBondContact O-OG 3.18Å; C909-S912 PolarHBondContact O-OG 3.43Å; V910-S912 PolarHBondContact O-N 3.1Å; S912-G916 CarbonylContact O-C 3.31Å; S912-G916 WeakPolarHBondContact O-CA 3.33Å; S912-G916 PolarHBondContact O-N 3.35Å; S912-I917 PolarHBondContact O-N 3.44Å
913	Y	93.5	Very high	92	Very high	11 Å²	11	5.2 Å²	5.2	4%	0.043	3%	0.026	C	C	.	.	H	α-helix	trans	-64.7	-51	172.7	169.6	-111.2	0	0	0	112.1	C909 V910 A911 G916 P957 F958 Y990 S1027 F1041	C909-Y913 WeakPolarHBondContact O-CB 3.39Å; C909-Y913 PolarHBondContact O-N 3.14Å; V910-Y913 PolarHBondContact O-N 3.39Å; A911-Y913 VanDerWaalsContact C-N 3.33Å; A911-Y913 PolarHBondContact O-N 3.31Å; Y913-G916 PolarHBondContact O-N 3.16Å; Y913-P957 HydrophobicContact CD2-CB 3.95Å; Y913-P957 HydrophobicContact CD2-CG 4.11Å; Y913-P957 HydrophobicContact CE2-CB 4.13Å; Y913-P957 HydrophobicContact CE2-CG 3.92Å; Y913-F958 HydrophobicContact CD2-CB 4.43Å; Y913-F958 HydrophobicContact CG-CD2 4.3Å; Y913-Y990 HydrophobicContact CD1-CE2 4.45Å; Y913-Y990 HydrophobicContact CE1-CD2 4.37Å; Y913-Y990 AromaticContact CE1-CE2 3.89Å; Y913-Y990 HydrophobicContact CE1-CE2 3.89Å; Y913-S1027 PolarHBondContact OH-O 2.82Å; Y913-F1041 HydrophobicContact CD1-CD2 4.14Å; Y913-F1041 AromaticContact CD1-CE2 3.93Å; Y913-F1041 HydrophobicContact CD1-CE2 3.93Å; Y913-F1041 AromaticContact CE1-CD2 3.88Å; Y913-F1041 HydrophobicContact CE1-CD2 3.88Å; Y913-F1041 HydrophobicContact CE1-CE2 4.16Å
914	V	95.3	Very high	91.8	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-62.6	-48.1	-176.9	168.7	0	0	0	0	111.1	M823 V910 A911 G916 Y990 L993 Y1023 L1024 S1027 L1028	M823-V914 HydrophobicContact CE-CB 4.33Å; M823-V914 HydrophobicContact CE-CG1 3.92Å; V910-V914 HydrophobicContact CG1-CG2 4.26Å; V910-V914 WeakPolarHBondContact O-CG2 3.46Å; V910-V914 PolarHBondContact O-N 3.07Å; A911-V914 PolarHBondContact O-N 3.05Å; V914-G916 VanDerWaalsContact C-N 3.27Å; V914-G916 PolarHBondContact O-N 3.4Å; V914-Y990 HydrophobicContact CG2-CD2 4.23Å; V914-Y990 HydrophobicContact CG2-CE2 4.46Å; V914-L993 HydrophobicContact CB-CD1 4.47Å; V914-L993 HydrophobicContact CG1-CD1 4.47Å; V914-L993 HydrophobicContact CG2-CD1 4.14Å; V914-Y1023 WeakPolarHBondContact O-CE1 3.49Å; V914-L1024 HydrophobicContact CG1-CD2 4.35Å; V914-L1024 WeakPolarHBondContact O-CD2 3.48Å; V914-S1027 PolarHBondContact O-OG 2.77Å; V914-L1028 HydrophobicContact CB-CD2 4.44Å; V914-L1028 HydrophobicContact CG1-CD1 4.32Å; V914-L1028 HydrophobicContact CG1-CD2 3.79Å; V914-L1028 HydrophobicContact CG1-CG 4.01Å; V914-L1028 HydrophobicContact CG2-CD2 3.74Å
915	L	94.3	Very high	91.6	Very high	2 Å²	2	5.2 Å²	5.2	1%	0.01	3%	0.026	C	C	.	.	H	α-helix	trans	-79.3	-6.7	179.9	-64.4	178.7	0	0	0	113.5	T816 M819 L820 M823 A911 I917 L942 F1004 L1024	T816-L915 HydrophobicContact CG2-CD1 4.29Å; M819-L915 HydrophobicContact CB-CD1 3.92Å; M819-L915 HydrophobicContact CB-CD2 4.23Å; M819-L915 HydrophobicContact CG-CD2 4.45Å; L820-L915 HydrophobicContact CD2-CD1 4.37Å; M823-L915 HydrophobicContact CE-CD1 3.88Å; M823-L915 HydrophobicContact CE-CD2 3.69Å; M823-L915 HydrophobicContact CE-CG 3.55Å; M823-L915 HydrophobicContact SD-CD1 4.31Å; A911-L915 WeakPolarHBondContact O-CB 3.23Å; A911-L915 WeakPolarHBondContact O-CG 3.45Å; A911-L915 PolarHBondContact O-N 3.16Å; L915-I917 VanDerWaalsContact C-N 3.34Å; L915-I917 HydrophobicContact CB-CD1 4.18Å; L915-I917 HydrophobicContact CB-CG1 3.84Å; L915-I917 HydrophobicContact CD1-CD1 4.19Å; L915-I917 PolarHBondContact O-N 2.83Å; L915-L942 WeakPolarHBondContact O-CA 3.37Å; L915-L942 PolarHBondContact O-N 3.02Å; L915-F1004 HydrophobicContact CD2-CE2 3.86Å; L915-F1004 HydrophobicContact CD2-CZ 3.9Å; L915-L1024 HydrophobicContact CD2-CD2 4.09Å
916	G	91.8	Very high	91.5	Very high	1 Å²	1	6.5 Å²	6.5	1%	0.01	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	40.2	-178.7	0	0	0	0	0	113.4	S912 Y913 V914 G918 I941 L942 G943 Y1023	S912-G916 CarbonylContact O-C 3.31Å; S912-G916 WeakPolarHBondContact O-CA 3.33Å; S912-G916 PolarHBondContact O-N 3.35Å; Y913-G916 PolarHBondContact O-N 3.16Å; V914-G916 VanDerWaalsContact C-N 3.27Å; V914-G916 PolarHBondContact O-N 3.4Å; G916-G918 PolarHBondContact O-N 3.38Å; G916-I941 CarbonylContact O-C 3.56Å; G916-I941 WeakPolarHBondContact O-CA 3.44Å; G916-L942 PolarHBondContact O-N 3.37Å; G916-G943 PolarHBondContact O-N 2.73Å; G916-Y1023 VanDerWaalsContact CA-OH 3.25Å; G916-Y1023 WeakPolarHBondContact CA-OH 3.41Å
917	I	90.6	Very high	91.5	Very high	5 Å²	5	6.5 Å²	6.5	3%	0.026	3%	0.032	C	C	.	.			trans	-71.6	116.7	-178.7	-58.6	174.3	0	0	0	109.2	T816 S912 L915 R920 F938 H940 I941	T816-I917 HydrophobicContact CG2-CD1 3.76Å; T816-I917 HydrophobicContact CG2-CG1 4.33Å; S912-I917 PolarHBondContact O-N 3.44Å; L915-I917 VanDerWaalsContact C-N 3.34Å; L915-I917 HydrophobicContact CB-CD1 4.18Å; L915-I917 HydrophobicContact CB-CG1 3.84Å; L915-I917 HydrophobicContact CD1-CD1 4.19Å; L915-I917 PolarHBondContact O-N 2.83Å; I917-R920 HydrophobicContact CG2-CG 4.49Å; I917-F938 HydrophobicContact CD1-CD1 3.9Å; I917-F938 HydrophobicContact CD1-CE1 4.01Å; I917-F938 HydrophobicContact CG2-CD1 3.91Å; I917-F938 HydrophobicContact CG2-CE1 4.49Å; I917-H940 WeakPolarHBondContact CA-O 3.31Å; I917-I941 HydrophobicContact CG1-CG2 4.27Å
918	G	83.1	Confident	91.4	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.041	C	C	.	.			trans	-100.3	178.6	-175.2	0	0	0	0	0	115.7	G916 R920 H940 E954	G916-G918 PolarHBondContact O-N 3.38Å; G918-R920 VanDerWaalsContact C-N 3.27Å; G918-R920 PolarHBondContact O-N 2.94Å; G918-R920 PolarHBondContact O-NE 2.87Å; G918-R920 PolarHBondContact O-NH2 3.48Å; G918-H940 PolarHBondContact N-O 2.89Å; G918-E954 WeakPolarHBondContact CA-OE2 3.34Å
919	D	81.1	Confident	91.2	Very high	19 Å²	19	11.2 Å²	11.2	10%	0.102	5%	0.053	C	C	.	.			trans	53.6	38	-178.8	-147.7	27.9	0	0	0	113.2	H921 K946 R953 E954	D919-H921 PolarHBondContact O-CD2 3.03Å; D919-H921 VanDerWaalsContact O-CD2 3.26Å; D919-K946 IonicContact OD2-NZ 2.69Å; D919-K946 PolarHBondContact OD2-NZ 2.96Å; D919-R953 IonicContact OD1-CZ 2.8Å; D919-R953 IonicContact OD1-NH1 3.14Å; D919-R953 PolarHBondContact OD1-NH1 3.12Å; D919-R953 IonicContact OD2-NH1 3.89Å; D919-E954 WeakPolarHBondContact CA-OE1 3.43Å; D919-E954 PolarHBondContact N-OE1 2.95Å; D919-E954 PolarHBondContact N-OE2 3.22Å; D919-E954 VanDerWaalsContact N-OE2 3.1Å
920	R	86.9	Confident	91	Very high	10 Å²	10	13.9 Å²	13.9	4%	0.038	7%	0.07	C	C	.	.			trans	-80.8	122.2	178.8	-61.6	-55.8	86.4	175.6	3.9	111	I917 G918 I925 I936 D937 E954 I959 W1059	I917-R920 HydrophobicContact CG2-CG 4.49Å; G918-R920 VanDerWaalsContact C-N 3.27Å; G918-R920 PolarHBondContact O-N 2.94Å; G918-R920 PolarHBondContact O-NE 2.87Å; G918-R920 PolarHBondContact O-NH2 3.48Å; R920-I925 HydrophobicContact CB-CD1 4.44Å; R920-I936 PolarHBondContact NH1-O 2.78Å; R920-D937 VanDerWaalsContact CZ-O 3.28Å; R920-D937 PolarHBondContact NH1-O 3.31Å; R920-D937 PolarHBondContact NH2-O 3.4Å; R920-E954 PolarHBondContact N-OE1 3.48Å; R920-E954 VanDerWaalsContact N-OE1 3.16Å; R920-I959 HydrophobicContact CB-CD1 3.43Å; R920-I959 VanDerWaalsContact CB-CD1 3.43Å; R920-I959 HydrophobicContact CB-CG1 4.49Å; R920-I959 HydrophobicContact CG-CD1 3.38Å; R920-W1059 PolarHBondContact O-NE1 3.42Å
921	H	84.8	Confident	90.8	Very high	15 Å²	15	13.9 Å²	13.9	7%	0.069	7%	0.07	C	C	.	.			trans	-149.4	173	179.2	52.7	60.4	0	0	0	111.3	D919 D923 N924 I925 W1059 H1062	D919-H921 PolarHBondContact O-CD2 3.03Å; D919-H921 VanDerWaalsContact O-CD2 3.26Å; H921-D923 PolarHBondContact ND1-N 3.46Å; H921-D923 IonicContact ND1-OD2 3.78Å; H921-D923 PolarHBondContact O-N 3.14Å; H921-D923 VanDerWaalsContact O-N 3.13Å; H921-N924 PolarHBondContact CE1-OD1 2.96Å; H921-N924 PolarHBondContact O-N 3.34Å; H921-I925 PolarHBondContact O-N 3.36Å; H921-W1059 HydrophobicContact CB-CG 4.33Å; H921-H1062 AromaticContact CD2-CD2 3.81Å; H921-H1062 AromaticContact CD2-CE1 3.57Å; H921-H1062 AromaticContact CD2-ND1 3.88Å; H921-H1062 AromaticContact CD2-NE2 3.62Å; H921-H1062 AromaticContact CE1-CE1 3.85Å; H921-H1062 AromaticContact NE2-CE1 3.35Å; H921-H1062 PolarHBondContact NE2-CE1 3.38Å; H921-H1062 AromaticContact NE2-ND1 3.97Å; H921-H1062 AromaticContact NE2-NE2 3.67Å
922	S	85.4	Confident	90.8	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.007	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-59	-25.5	-174.7	52.4	0	0	0	0	115.1	I860 A861	I860-S922 PolarHBondContact N-O 2.99Å; A861-S922 PolarHBondContact N-O 2.75Å; A861-S922 VanDerWaalsContact N-O 3.09Å
923	D	83.8	Confident	90.9	Very high	20 Å²	20	14.7 Å²	14.7	11%	0.107	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-73	-23.6	173.1	-56.8	-93.8	0	0	0	113.9	T859 H921 H1062 K1066	T859-D923 WeakPolarHBondContact CG2-O 3.48Å; H921-D923 PolarHBondContact ND1-N 3.46Å; H921-D923 IonicContact ND1-OD2 3.78Å; H921-D923 PolarHBondContact O-N 3.14Å; H921-D923 VanDerWaalsContact O-N 3.13Å; D923-H1062 IonicContact OD2-ND1 2.83Å; D923-K1066 IonicContact OD1-NZ 2.76Å; D923-K1066 PolarHBondContact OD1-NZ 3.46Å
924	N	90.3	Very high	91.1	Very high	18 Å²	18	14.3 Å²	14.3	10%	0.096	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-113.3	15.1	-172.8	-73.9	11.6	0	0	0	112.7	H921 I936 D937	H921-N924 PolarHBondContact CE1-OD1 2.96Å; H921-N924 PolarHBondContact O-N 3.34Å; N924-I936 HydrophobicContact CB-CG1 4.26Å; N924-I936 WeakPolarHBondContact O-CG1 3.29Å; N924-I936 PolarHBondContact O-N 3.43Å; N924-D937 PolarHBondContact ND2-OD2 2.89Å
925	I	93.4	Very high	91.1	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.8	171.6	-60.9	168.9	0	0	0	107	I860 R920 H921 L933 F964 W1059	I860-I925 HydrophobicContact CD1-CB 3.77Å; I860-I925 HydrophobicContact CD1-CG2 3.44Å; I860-I925 VanDerWaalsContact CD1-CG2 3.44Å; I860-I925 HydrophobicContact CG1-CG2 4.3Å; I860-I925 PolarHBondContact N-O 3.17Å; R920-I925 HydrophobicContact CB-CD1 4.44Å; H921-I925 PolarHBondContact O-N 3.36Å; I925-L933 HydrophobicContact CG2-CD1 4.02Å; I925-L933 HydrophobicContact CG2-CD2 4.08Å; I925-L933 HydrophobicContact CG2-CG 3.93Å; I925-F964 HydrophobicContact CD1-CZ 4.19Å; I925-F964 HydrophobicContact CG2-CZ 4.24Å; I925-W1059 HydrophobicContact CD1-CH2 3.33Å; I925-W1059 HydrophobicContact CD1-CZ2 3.63Å; I925-W1059 HydrophobicContact CD1-CZ3 4.31Å
926	M	95.6	Very high	91.1	Very high	26 Å²	26	16.1 Å²	16.1	13%	0.128	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	153.8	-174.5	-63.1	-168.4	78.2	0	0	110.7	S857 E858 T859 L933 F934 I936	S857-M926 VanDerWaalsContact OG-CE 3.27Å; S857-M926 WeakPolarHBondContact OG-CE 3.46Å; E858-M926 CarbonylContact O-C 3.45Å; E858-M926 VanDerWaalsContact O-CA 3.25Å; E858-M926 WeakPolarHBondContact O-CA 3.45Å; T859-M926 HydrophobicContact CG2-CE 4.17Å; T859-M926 HydrophobicContact CG2-CG 4.03Å; T859-M926 HydrophobicContact CG2-SD 4.44Å; M926-L933 WeakPolarHBondContact O-CA 3.41Å; M926-F934 HydrophobicContact CB-CD1 4.08Å; M926-F934 HydrophobicContact CB-CD2 4.3Å; M926-F934 HydrophobicContact CB-CE1 3.51Å; M926-F934 HydrophobicContact CB-CE2 3.79Å; M926-F934 HydrophobicContact CB-CG 4.44Å; M926-F934 HydrophobicContact CB-CZ 3.36Å; M926-F934 HydrophobicContact CE-CZ 4.43Å; M926-F934 HydrophobicContact CG-CE2 4.23Å; M926-F934 HydrophobicContact CG-CZ 4.08Å; M926-F934 PolarHBondContact N-O 2.99Å; M926-F934 PolarHBondContact O-N 3.34Å; M926-F934 HydrophobicContact SD-CE2 3.88Å; M926-F934 HydrophobicContact SD-CZ 3.75Å; M926-I936 HydrophobicContact CG-CD1 4.06Å; M926-I936 HydrophobicContact CG-CG1 4.32Å; M926-I936 HydrophobicContact CG-CG2 4.19Å; M926-I936 HydrophobicContact SD-CD1 3.81Å; M926-I936 HydrophobicContact SD-CG1 4.45Å; M926-I936 HydrophobicContact SD-CG2 3.83Å
927	V	96.3	Very high	90.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	131	176	-172.4	0	0	0	0	108.5	S857 E858 I860 I863 L881 W884 L885 F901 Q932 L933	S857-V927 WeakPolarHBondContact CA-O 3.5Å; E858-V927 PolarHBondContact N-O 2.68Å; E858-V927 PolarHBondContact O-N 3.06Å; I860-V927 HydrophobicContact CG1-CG2 4.1Å; I863-V927 HydrophobicContact CD1-CB 4.28Å; L881-V927 HydrophobicContact CD1-CG2 4.14Å; W884-V927 WeakPolarHBondContact CH2-O 3.27Å; W884-V927 HydrophobicContact CZ3-CB 4.33Å; W884-V927 HydrophobicContact CZ3-CG1 4Å; L885-V927 HydrophobicContact CD2-CG1 4.24Å; F901-V927 HydrophobicContact CD2-CG1 4.24Å; F901-V927 HydrophobicContact CE2-CG1 4.47Å; F901-V927 HydrophobicContact CE2-CG2 4.19Å; V927-Q932 CarbonylContact C-O 3.56Å; V927-Q932 WeakPolarHBondContact CA-O 3.26Å; V927-L933 HydrophobicContact CG2-CD1 4.49Å
928	K	94.7	Very high	90.9	Very high	39 Å²	39	19.2 Å²	19.2	17%	0.17	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	154.5	170.8	-75.4	-179.7	71.2	-168.7	0	110.4	L837 V854 T856 W884 T930 G931 Q932 F934	L837-K928 HydrophobicContact CD1-CD 3.44Å; L837-K928 VanDerWaalsContact CD1-CD 3.44Å; L837-K928 HydrophobicContact CD1-CG 4.48Å; V854-K928 HydrophobicContact CG1-CD 3.65Å; V854-K928 HydrophobicContact CG1-CG 3.92Å; T856-K928 WeakPolarHBondContact O-CA 3.31Å; W884-K928 WeakPolarHBondContact CZ3-O 3.48Å; K928-T930 WeakPolarHBondContact CB-OG1 3.35Å; K928-T930 PolarHBondContact O-N 3.12Å; K928-G931 PolarHBondContact O-N 2.91Å; K928-Q932 HydrophobicContact CB-CB 4.34Å; K928-Q932 HydrophobicContact CD-CB 4.4Å; K928-Q932 PolarHBondContact N-O 3.1Å; K928-F934 HydrophobicContact CG-CE1 4.03Å
929	K	92.8	Very high	90.8	Very high	63 Å²	63	20.5 Å²	20.5	27%	0.274	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-24.1	173.3	-70.2	-178.1	-179.4	-164.6	0	113.1	T856 W884 Y888 N889 G931	T856-K929 WeakPolarHBondContact O-CG 2.75Å; T856-K929 PolarHBondContact O-N 2.72Å; W884-K929 HydrophobicContact CH2-CB 4.34Å; W884-K929 HydrophobicContact CH2-CG 3.77Å; W884-K929 HydrophobicContact CZ2-CG 3.86Å; Y888-K929 HydrophobicContact CD1-CD 3.68Å; Y888-K929 HydrophobicContact CD1-CG 4.25Å; Y888-K929 HydrophobicContact CD2-CB 4.48Å; Y888-K929 HydrophobicContact CD2-CD 4.18Å; Y888-K929 HydrophobicContact CD2-CG 3.91Å; Y888-K929 HydrophobicContact CE1-CD 3.77Å; Y888-K929 HydrophobicContact CE2-CD 4.28Å; Y888-K929 HydrophobicContact CE2-CG 4.24Å; Y888-K929 HydrophobicContact CG-CB 4.21Å; Y888-K929 HydrophobicContact CG-CD 3.89Å; Y888-K929 HydrophobicContact CG-CG 3.92Å; Y888-K929 VanDerWaalsContact CZ-CE 3.48Å; Y888-K929 PolarHBondContact OH-NZ 3.41Å; N889-K929 PolarHBondContact ND2-O 2.76Å; N889-K929 PolarHBondContact OD1-O 3.08Å; K929-G931 PolarHBondContact O-N 2.95Å
930	T	90.4	Very high	91	Very high	61 Å²	61	21.7 Å²	21.7	37%	0.374	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-1.1	173.6	58.2	0	0	0	0	114.6	A897 K928 Q932	A897-T930 WeakPolarHBondContact CA-O 3.35Å; K928-T930 WeakPolarHBondContact CB-OG1 3.35Å; K928-T930 PolarHBondContact O-N 3.12Å; T930-Q932 PolarHBondContact OG1-OE1 3.38Å
931	G	93.9	Very high	91.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	94.1	-15.9	-178.3	0	0	0	0	0	115.5	A897 F901 K928 K929 L933	A897-G931 WeakPolarHBondContact O-CA 3.48Å; F901-G931 WeakPolarHBondContact CA-O 3.49Å; F901-G931 WeakPolarHBondContact CB-O 3.17Å; F901-G931 WeakPolarHBondContact CD2-O 3.44Å; F901-G931 PolarHBondContact N-O 3.03Å; K928-G931 PolarHBondContact O-N 2.91Å; K929-G931 PolarHBondContact O-N 2.95Å; G931-L933 PolarHBondContact O-N 2.88Å
932	Q	95.2	Very high	91.2	Very high	17 Å²	17	20.9 Å²	20.9	8%	0.079	11%	0.113	C	C	.	.			trans	-63.7	123.4	-178.4	-66.4	174.7	-44	0	0	111.8	E900 V927 K928 T930	E900-Q932 HydrophobicContact CB-CG 4.02Å; E900-Q932 HydrophobicContact CG-CG 4.48Å; E900-Q932 WeakPolarHBondContact OE2-CG 3.11Å; E900-Q932 PolarHBondContact OE2-NE2 3.27Å; V927-Q932 CarbonylContact C-O 3.56Å; V927-Q932 WeakPolarHBondContact CA-O 3.26Å; K928-Q932 HydrophobicContact CB-CB 4.34Å; K928-Q932 HydrophobicContact CD-CB 4.4Å; K928-Q932 PolarHBondContact N-O 3.1Å; T930-Q932 PolarHBondContact OG1-OE1 3.38Å
933	L	96.5	Very high	90.8	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	139.4	174.8	-179.1	148.9	0	0	0	110.1	F901 S904 C905 Y908 I925 M926 V927 G931 F964	F901-L933 HydrophobicContact CD2-CB 4.29Å; F901-L933 HydrophobicContact CE2-CB 4.25Å; F901-L933 HydrophobicContact CE2-CD1 3.71Å; F901-L933 HydrophobicContact CZ-CD1 3.8Å; S904-L933 WeakPolarHBondContact CB-O 3.46Å; S904-L933 PolarHBondContact OG-N 3.18Å; C905-L933 HydrophobicContact CB-CD1 4.49Å; Y908-L933 HydrophobicContact CD2-CD2 4.28Å; Y908-L933 VanDerWaalsContact CD2-O 3.25Å; Y908-L933 WeakPolarHBondContact CD2-O 3.3Å; Y908-L933 WeakPolarHBondContact CE2-O 3.46Å; Y908-L933 HydrophobicContact CG-CD2 4.35Å; I925-L933 HydrophobicContact CG2-CD1 4.02Å; I925-L933 HydrophobicContact CG2-CD2 4.08Å; I925-L933 HydrophobicContact CG2-CG 3.93Å; M926-L933 WeakPolarHBondContact O-CA 3.41Å; V927-L933 HydrophobicContact CG2-CD1 4.49Å; G931-L933 PolarHBondContact O-N 2.88Å; L933-F964 HydrophobicContact CD1-CD1 4.29Å; L933-F964 HydrophobicContact CD1-CE1 3.81Å; L933-F964 HydrophobicContact CD1-CE2 4.34Å; L933-F964 HydrophobicContact CD1-CZ 3.84Å
934	F	97	Very high	90.5	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.009	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	154.6	173.2	65.7	-77.7	0	0	0	112.5	L837 Y839 V854 Y908 M926 K928 I936	L837-F934 HydrophobicContact CB-CB 4.18Å; L837-F934 HydrophobicContact CD1-CD1 4.5Å; Y839-F934 HydrophobicContact CD1-CD2 4.21Å; Y839-F934 HydrophobicContact CD1-CE2 4.4Å; Y839-F934 HydrophobicContact CE1-CD2 4.34Å; V854-F934 HydrophobicContact CB-CE1 4.46Å; V854-F934 HydrophobicContact CB-CE2 4.27Å; V854-F934 HydrophobicContact CB-CZ 3.78Å; V854-F934 HydrophobicContact CG1-CE1 4.13Å; V854-F934 HydrophobicContact CG1-CZ 3.96Å; V854-F934 HydrophobicContact CG2-CE2 3.88Å; V854-F934 HydrophobicContact CG2-CZ 3.9Å; Y908-F934 HydrophobicContact CE1-CB 4.31Å; Y908-F934 HydrophobicContact CE2-CB 3.67Å; Y908-F934 WeakPolarHBondContact OH-CB 3.47Å; M926-F934 HydrophobicContact CB-CD1 4.08Å; M926-F934 HydrophobicContact CB-CD2 4.3Å; M926-F934 HydrophobicContact CB-CE1 3.51Å; M926-F934 HydrophobicContact CB-CE2 3.79Å; M926-F934 HydrophobicContact CB-CG 4.44Å; M926-F934 HydrophobicContact CB-CZ 3.36Å; M926-F934 HydrophobicContact CE-CZ 4.43Å; M926-F934 HydrophobicContact CG-CE2 4.23Å; M926-F934 HydrophobicContact CG-CZ 4.08Å; M926-F934 PolarHBondContact N-O 2.99Å; M926-F934 PolarHBondContact O-N 3.34Å; M926-F934 HydrophobicContact SD-CE2 3.88Å; M926-F934 HydrophobicContact SD-CZ 3.75Å; K928-F934 HydrophobicContact CG-CE1 4.03Å; F934-I936 HydrophobicContact CD2-CG2 3.91Å; F934-I936 HydrophobicContact CE2-CG2 3.63Å
935	H	94.8	Very high	89.5	Confident	5 Å²	5	24.2 Å²	24.2	2%	0.023	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	148.8	178.2	-67.1	-167.1	0	0	0	110.3	Y839 Y908 F938	Y839-H935 WeakPolarHBondContact CE1-O 3.33Å; Y908-H935 HydrophobicContact CD1-CB 3.87Å; Y908-H935 AromaticContact CD1-CD2 3.84Å; Y908-H935 AromaticContact CD1-CG 3.68Å; Y908-H935 HydrophobicContact CE1-CB 4.03Å; H935-F938 HydrophobicContact CB-CE1 3.89Å; H935-F938 HydrophobicContact CB-CZ 4.13Å; H935-F938 VanDerWaalsContact O-CZ 3.25Å; H935-F938 WeakPolarHBondContact O-CZ 3.14Å
936	I	93.9	Very high	88	Confident	36 Å²	36	28.7 Å²	28.7	19%	0.185	15%	0.151	C	C	.	.			trans	-127.6	166.9	173.7	60.7	165.2	0	0	0	110.9	Y839 R920 N924 M926 F934	Y839-I936 HydrophobicContact CE1-CB 4.45Å; Y839-I936 HydrophobicContact CE1-CG2 3.75Å; Y839-I936 WeakPolarHBondContact OH-CA 3.45Å; R920-I936 PolarHBondContact NH1-O 2.78Å; N924-I936 HydrophobicContact CB-CG1 4.26Å; N924-I936 WeakPolarHBondContact O-CG1 3.29Å; N924-I936 PolarHBondContact O-N 3.43Å; M926-I936 HydrophobicContact CG-CD1 4.06Å; M926-I936 HydrophobicContact CG-CG1 4.32Å; M926-I936 HydrophobicContact CG-CG2 4.19Å; M926-I936 HydrophobicContact SD-CD1 3.81Å; M926-I936 HydrophobicContact SD-CG1 4.45Å; M926-I936 HydrophobicContact SD-CG2 3.83Å; F934-I936 HydrophobicContact CD2-CG2 3.91Å; F934-I936 HydrophobicContact CE2-CG2 3.63Å
937	D	89.2	Confident	85.8	Confident	69 Å²	69	31.7 Å²	31.7	37%	0.369	18%	0.175	S	C	.	.			trans	59.8	86.7	174.3	-176.3	18.3	0	0	0	112.8	R920 N924 G939	R920-D937 VanDerWaalsContact CZ-O 3.28Å; R920-D937 PolarHBondContact NH1-O 3.31Å; R920-D937 PolarHBondContact NH2-O 3.4Å; N924-D937 PolarHBondContact ND2-OD2 2.89Å; D937-G939 PolarHBondContact O-N 3.02Å
938	F	89.9	Confident	83.3	Confident	1 Å²	1	36.6 Å²	36.6	0%	0.004	20%	0.196	C	C	.	.			trans	-99.5	36.2	-171.3	-57.9	-74.7	0	0	0	113.5	Q812 D813 T816 L817 L820 Y839 I917 H935 H940	Q812-F938 PolarHBondContact NE2-O 3.47Å; D813-F938 PolarHBondContact OD1-N 3.32Å; T816-F938 HydrophobicContact CG2-CB 3.86Å; T816-F938 HydrophobicContact CG2-CD1 3.61Å; T816-F938 HydrophobicContact CG2-CD2 4.27Å; T816-F938 HydrophobicContact CG2-CE1 4.19Å; T816-F938 HydrophobicContact CG2-CG 3.64Å; L817-F938 HydrophobicContact CD1-CD2 4.46Å; L817-F938 HydrophobicContact CD1-CE2 4.27Å; L817-F938 HydrophobicContact CD2-CE2 3.69Å; L817-F938 HydrophobicContact CD2-CZ 4.31Å; L817-F938 HydrophobicContact CG-CD2 4.12Å; L817-F938 HydrophobicContact CG-CE2 3.74Å; L820-F938 HydrophobicContact CD1-CE1 4.1Å; L820-F938 HydrophobicContact CD1-CE2 4.47Å; L820-F938 HydrophobicContact CD1-CZ 3.77Å; Y839-F938 HydrophobicContact CE1-CE2 4.2Å; Y839-F938 AromaticContact CZ-CE2 3.96Å; Y839-F938 WeakPolarHBondContact OH-CE2 3.24Å; I917-F938 HydrophobicContact CD1-CD1 3.9Å; I917-F938 HydrophobicContact CD1-CE1 4.01Å; I917-F938 HydrophobicContact CG2-CD1 3.91Å; I917-F938 HydrophobicContact CG2-CE1 4.49Å; H935-F938 HydrophobicContact CB-CE1 3.89Å; H935-F938 HydrophobicContact CB-CZ 4.13Å; H935-F938 VanDerWaalsContact O-CZ 3.25Å; H935-F938 WeakPolarHBondContact O-CZ 3.14Å; F938-H940 PolarHBondContact O-N 3.28Å
939	G	81.1	Confident	80.8	Confident	28 Å²	28	44 Å²	44	29%	0.289	23%	0.228	S	C	.	.			trans	-65.9	-3.6	-176.3	0	0	0	0	0	116.5	Q812 D937	Q812-G939 PolarHBondContact NE2-O 3.1Å; Q812-G939 VanDerWaalsContact NE2-O 3.16Å; D937-G939 PolarHBondContact O-N 3.02Å
940	H	84.6	Confident	78.3	Confident	43 Å²	43	44.7 Å²	44.7	20%	0.199	25%	0.253	C	S	.	.			trans	-139.8	117.3	176.3	-66	-60.8	0	0	0	112	I917 G918 F938 N944 K946 E1014	I917-H940 WeakPolarHBondContact CA-O 3.31Å; G918-H940 PolarHBondContact N-O 2.89Å; F938-H940 PolarHBondContact O-N 3.28Å; H940-N944 PolarHBondContact ND1-O 3.04Å; H940-K946 WeakPolarHBondContact NE2-CE 3.26Å; H940-E1014 WeakPolarHBondContact CA-OE1 3.42Å; H940-E1014 WeakPolarHBondContact CA-OE2 3.46Å; H940-E1014 IonicContact CE1-OE1 3.39Å; H940-E1014 IonicContact CG-OE1 3.63Å; H940-E1014 IonicContact ND1-OE1 2.85Å; H940-E1014 PolarHBondContact ND1-OE1 2.73Å
941	I	89.6	Confident	76.1	Confident	2 Å²	2	47 Å²	47	1%	0.01	26%	0.262	C	S	.	.			trans	-135	171.8	-178.9	66.5	172.6	0	0	0	111.9	Q812 T816 G916 I917 G943 N944 F1004 E1014	Q812-I941 HydrophobicContact CG-CD1 4.12Å; Q812-I941 HydrophobicContact CG-CG1 4.42Å; T816-I941 HydrophobicContact CG2-CG2 4.34Å; T816-I941 WeakPolarHBondContact OG1-CG2 3.35Å; G916-I941 CarbonylContact O-C 3.56Å; G916-I941 WeakPolarHBondContact O-CA 3.44Å; I917-I941 HydrophobicContact CG1-CG2 4.27Å; I941-G943 PolarHBondContact O-N 2.91Å; I941-G943 VanDerWaalsContact O-N 3.11Å; I941-N944 WeakPolarHBondContact O-CB 3.5Å; I941-N944 PolarHBondContact O-N 3.36Å; I941-N944 VanDerWaalsContact O-N 3.14Å; I941-N944 PolarHBondContact O-ND2 3.4Å; I941-F1004 HydrophobicContact CD1-CE1 4.15Å; I941-E1014 HydrophobicContact CG1-CB 4.35Å; I941-E1014 PolarHBondContact N-OE2 2.83Å
942	L	87	Confident	74.2	Confident	7 Å²	7	53 Å²	53	4%	0.037	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	29.8	177.1	-57	176.6	0	0	0	114.1	L915 G916 N944 F1004 L1015 D1020 Y1023 L1024	L915-L942 WeakPolarHBondContact O-CA 3.37Å; L915-L942 PolarHBondContact O-N 3.02Å; G916-L942 PolarHBondContact O-N 3.37Å; L942-N944 VanDerWaalsContact C-N 3.34Å; L942-N944 PolarHBondContact O-N 3.07Å; L942-F1004 HydrophobicContact CD1-CD1 3.9Å; L942-F1004 HydrophobicContact CD1-CE1 3.91Å; L942-F1004 HydrophobicContact CD2-CD1 4.36Å; L942-F1004 HydrophobicContact CD2-CE1 4Å; L942-F1004 HydrophobicContact CD2-CZ 4.25Å; L942-F1004 HydrophobicContact CG-CE1 4.16Å; L942-L1015 HydrophobicContact CD1-CD1 3.89Å; L942-D1020 HydrophobicContact CD1-CB 4.22Å; L942-Y1023 HydrophobicContact CD2-CD1 4.46Å; L942-Y1023 WeakPolarHBondContact O-CD2 3.47Å; L942-L1024 HydrophobicContact CD2-CD1 4.17Å; L942-L1024 HydrophobicContact CD2-CD2 3.99Å; L942-L1024 HydrophobicContact CD2-CG 3.81Å
943	G	76.8	Confident	72.1	Confident	12 Å²	12	56.8 Å²	56.8	12%	0.124	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	10.6	177.1	0	0	0	0	0	115.4	G916 I941 F945	G916-G943 PolarHBondContact O-N 2.73Å; I941-G943 PolarHBondContact O-N 2.91Å; I941-G943 VanDerWaalsContact O-N 3.11Å; G943-F945 VanDerWaalsContact O-CD2 3.25Å; G943-F945 WeakPolarHBondContact O-CD2 3.38Å; G943-F945 PolarHBondContact O-N 3.28Å
944	N	77.2	Confident	70.3	Confident	61 Å²	61	58.6 Å²	58.6	33%	0.326	31%	0.311	S	S	.	.			trans	-73.3	61.2	172.1	-75.5	-54.4	0	0	0	112.1	H940 I941 L942 E1014	H940-N944 PolarHBondContact ND1-O 3.04Å; I941-N944 WeakPolarHBondContact O-CB 3.5Å; I941-N944 PolarHBondContact O-N 3.36Å; I941-N944 VanDerWaalsContact O-N 3.14Å; I941-N944 PolarHBondContact O-ND2 3.4Å; L942-N944 VanDerWaalsContact C-N 3.34Å; L942-N944 PolarHBondContact O-N 3.07Å; N944-E1014 HydrophobicContact CB-CB 4.48Å; N944-E1014 HydrophobicContact CB-CG 4.16Å; N944-E1014 PolarHBondContact ND2-O 3.48Å
945	F	69.9	Low	68	Low	36 Å²	36	68 Å²	68	16%	0.158	35%	0.346	C	S	.	.			trans	-75.6	137.8	-176.8	-53.6	-55.3	0	0	0	112.3	G943 S947 K952 E954	G943-F945 VanDerWaalsContact O-CD2 3.25Å; G943-F945 WeakPolarHBondContact O-CD2 3.38Å; G943-F945 PolarHBondContact O-N 3.28Å; F945-S947 PolarHBondContact O-N 3.24Å; F945-K952 HydrophobicContact CD2-CD 4.47Å; F945-E954 WeakPolarHBondContact CD1-OE2 3.19Å; F945-E954 WeakPolarHBondContact CE1-OE2 3.35Å; F945-E954 HydrophobicContact CG-CB 4.5Å
946	K	61.7	Low	66.2	Low	94 Å²	94	69.2 Å²	69.2	41%	0.409	35%	0.353	S	S	.	.			trans	-55	132.7	172.9	-72.5	-177.8	-173.8	158.8	0	110.8	D919 H940 R953	D919-K946 IonicContact OD2-NZ 2.69Å; D919-K946 PolarHBondContact OD2-NZ 2.96Å; H940-K946 WeakPolarHBondContact NE2-CE 3.26Å; K946-R953 WeakPolarHBondContact O-CB 3.5Å; K946-R953 PolarHBondContact O-N 2.73Å
947	S	50.2	Low	64.6	Low	89 Å²	89	69.2 Å²	69.2	62%	0.622	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	145.2	172.1	64.3	0	0	0	0	111.7	F945 I951	F945-S947 PolarHBondContact O-N 3.24Å; S947-I951 WeakPolarHBondContact CA-O 3.43Å
948	K	42.9	Very low	63.7	Low	103 Å²	103	66 Å²	66	45%	0.448	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	125.5	173.2	-163.4	-171.6	178.3	-167.1	0	108.6	G950 I951	K948-G950 PolarHBondContact O-N 3.13Å; K948-I951 PolarHBondContact N-O 3.41Å; K948-I951 PolarHBondContact O-N 3.15Å
949	F	42.3	Very low	62.8	Low	193 Å²	193	66.7 Å²	66.7	85%	0.846	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	32.4	-176.8	-57.4	-70.2	0	0	0	114.5	I951	F949-I951 VanDerWaalsContact C-N 3.28Å; F949-I951 PolarHBondContact O-N 3.49Å
950	G	39.8	Very low	62.9	Low	78 Å²	78	65.4 Å²	65.4	80%	0.804	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	-1.2	-178.4	0	0	0	0	0	115.1	K948	K948-G950 PolarHBondContact O-N 3.13Å
951	I	45	Very low	62.8	Low	109 Å²	109	63.4 Å²	63.4	56%	0.559	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	129.9	175.3	-56	174.2	0	0	0	108.5	S947 K948 F949 R953	S947-I951 WeakPolarHBondContact CA-O 3.43Å; K948-I951 PolarHBondContact N-O 3.41Å; K948-I951 PolarHBondContact O-N 3.15Å; F949-I951 VanDerWaalsContact C-N 3.28Å; F949-I951 PolarHBondContact O-N 3.49Å; I951-R953 PolarHBondContact O-N 2.7Å
952	K	54	Low	62.5	Low	128 Å²	128	66.1 Å²	66.1	56%	0.557	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.8	132.3	172.2	-69.5	-169.9	177.4	-169.3	0	109.3	F945 E954	F945-K952 HydrophobicContact CD2-CD 4.47Å; K952-E954 VanDerWaalsContact C-N 3.28Å; K952-E954 PolarHBondContact O-N 2.84Å
953	R	51.9	Low	62.4	Low	96 Å²	96	66 Å²	66	36%	0.362	33%	0.329	S	S	.	.	S	Bend	trans	-65.6	-33.8	-176.1	-165.1	-175.6	-166.4	-174.7	8	111.6	D919 K946 I951 H1062	D919-R953 IonicContact OD1-CZ 2.8Å; D919-R953 IonicContact OD1-NH1 3.14Å; D919-R953 PolarHBondContact OD1-NH1 3.12Å; D919-R953 IonicContact OD2-NH1 3.89Å; K946-R953 WeakPolarHBondContact O-CB 3.5Å; K946-R953 PolarHBondContact O-N 2.73Å; I951-R953 PolarHBondContact O-N 2.7Å; R953-H1062 PolarHBondContact NH1-NE2 3.48Å; R953-H1062 PolarHBondContact NH2-CD2 3.32Å; R953-H1062 PolarHBondContact NH2-NE2 2.91Å; R953-H1062 VanDerWaalsContact NH2-NE2 3.12Å
954	E	57	Low	63.1	Low	39 Å²	39	65.5 Å²	65.5	18%	0.182	32%	0.324	C	S	.	.			trans	-96.5	123.5	174.1	-76.5	163.7	151.6	0	0	110.4	G918 D919 R920 F945 K952	G918-E954 WeakPolarHBondContact CA-OE2 3.34Å; D919-E954 WeakPolarHBondContact CA-OE1 3.43Å; D919-E954 PolarHBondContact N-OE1 2.95Å; D919-E954 PolarHBondContact N-OE2 3.22Å; D919-E954 VanDerWaalsContact N-OE2 3.1Å; R920-E954 PolarHBondContact N-OE1 3.48Å; R920-E954 VanDerWaalsContact N-OE1 3.16Å; F945-E954 WeakPolarHBondContact CD1-OE2 3.19Å; F945-E954 WeakPolarHBondContact CE1-OE2 3.35Å; F945-E954 HydrophobicContact CG-CB 4.5Å; K952-E954 VanDerWaalsContact C-N 3.28Å; K952-E954 PolarHBondContact O-N 2.84Å
955	R	50.1	Low	63.7	Low	200 Å²	200	63.1 Å²	63.1	76%	0.755	31%	0.311	S	S	*	.	S	Bend	trans	-95.1	-22.6	179.8	-64.4	-176.9	-178.6	-178.6	-0.4	112.6
956	V	55.3	Low	64.6	Low	29 Å²	29	62.2 Å²	62.2	18%	0.176	31%	0.307	C	S	.	.			trans	-130.2	129.1	-177.3	-169.1	0	0	0	0	108.6	A1048 E1051	V956-A1048 HydrophobicContact CG1-CB 4.07Å; V956-E1051 HydrophobicContact CG2-CB 4.1Å; V956-E1051 HydrophobicContact CG2-CG 4.06Å
957	P	60.6	Low	66.1	Low	37 Å²	37	57.8 Å²	57.8	24%	0.24	29%	0.288	C	S	.	.	S	Bend	trans	-80.3	-18.6	-176.4	32.2	-36	0	0	0	113.4	Y913 K1044	Y913-P957 HydrophobicContact CD2-CB 3.95Å; Y913-P957 HydrophobicContact CD2-CG 4.11Å; Y913-P957 HydrophobicContact CE2-CB 4.13Å; Y913-P957 HydrophobicContact CE2-CG 3.92Å; P957-K1044 HydrophobicContact CG-CD 4.44Å
958	F	71.1	Confident	68.1	Low	2 Å²	2	53.5 Å²	53.5	1%	0.009	26%	0.258	C	S	.	.	S	Bend	trans	-100.7	121.8	174.9	-171.5	-85.9	0	0	0	109.1	C909 Y913 L960 F1041 F1045 A1048	C909-F958 HydrophobicContact CB-CE1 4.23Å; C909-F958 HydrophobicContact CB-CE2 3.8Å; C909-F958 HydrophobicContact CB-CZ 3.55Å; Y913-F958 HydrophobicContact CD2-CB 4.43Å; Y913-F958 HydrophobicContact CG-CD2 4.3Å; F958-L960 HydrophobicContact CD1-CB 4.2Å; F958-L960 HydrophobicContact CE1-CB 3.99Å; F958-F1041 HydrophobicContact CD2-CE2 4.2Å; F958-F1041 HydrophobicContact CD2-CZ 4.46Å; F958-F1041 HydrophobicContact CE2-CE2 4.05Å; F958-F1041 AromaticContact CE2-CZ 3.88Å; F958-F1041 HydrophobicContact CE2-CZ 3.88Å; F958-F1045 AromaticContact CE1-CD2 3.67Å; F958-F1045 HydrophobicContact CE1-CD2 3.67Å; F958-F1045 HydrophobicContact CE1-CE2 4.01Å; F958-F1045 HydrophobicContact CE2-CD2 4.34Å; F958-F1045 AromaticContact CZ-CD2 3.52Å; F958-F1045 HydrophobicContact CZ-CD2 3.52Å; F958-F1045 AromaticContact CZ-CE2 3.88Å; F958-F1045 HydrophobicContact CZ-CE2 3.88Å; F958-A1048 HydrophobicContact CB-CB 4.08Å; F958-A1048 HydrophobicContact CD1-CB 3.53Å; F958-A1048 HydrophobicContact CE1-CB 4.45Å; F958-A1048 HydrophobicContact CG-CB 4.25Å; F958-A1048 WeakPolarHBondContact O-CB 3.34Å
959	I	71.7	Confident	70.3	Confident	15 Å²	15	50.3 Å²	50.3	8%	0.077	25%	0.245	C	C	.	.			trans	-102.5	107.8	-172.7	-65.2	147	0	0	0	109.3	C909 R920 W1059	C909-I959 PolarHBondContact SG-O 3.19Å; R920-I959 HydrophobicContact CB-CD1 3.43Å; R920-I959 VanDerWaalsContact CB-CD1 3.43Å; R920-I959 HydrophobicContact CB-CG1 4.49Å; R920-I959 HydrophobicContact CG-CD1 3.38Å; I959-W1059 HydrophobicContact CG2-CZ2 3.81Å
960	L	81.4	Confident	72.4	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	21%	0.214	C	C	.	.			trans	-131.4	111.5	172.8	-172.6	64.4	0	0	0	108.6	F958 F964 I965 F979 F982 F1045 A1048 L1049 S1052	F958-L960 HydrophobicContact CD1-CB 4.2Å; F958-L960 HydrophobicContact CE1-CB 3.99Å; L960-F964 HydrophobicContact CD1-CB 4.44Å; L960-I965 HydrophobicContact CD1-CG1 4.26Å; L960-I965 HydrophobicContact CD2-CD1 4.07Å; L960-I965 HydrophobicContact CD2-CG1 4.12Å; L960-I965 HydrophobicContact CG-CD1 4.05Å; L960-I965 HydrophobicContact CG-CG1 3.98Å; L960-F979 HydrophobicContact CD2-CE2 4.5Å; L960-F979 HydrophobicContact CD2-CZ 4.46Å; L960-F982 HydrophobicContact CD1-CE1 3.85Å; L960-F982 HydrophobicContact CD1-CZ 3.72Å; L960-F982 HydrophobicContact CD2-CE1 4.21Å; L960-F1045 HydrophobicContact CD2-CE2 4.49Å; L960-F1045 HydrophobicContact CD2-CZ 4.22Å; L960-A1048 HydrophobicContact CB-CB 4.41Å; L960-L1049 HydrophobicContact CD2-CD1 4.24Å; L960-S1052 WeakPolarHBondContact O-CA 3.48Å; L960-S1052 VanDerWaalsContact O-CB 3.3Å; L960-S1052 WeakPolarHBondContact O-CB 3.03Å
961	T	83.3	Confident	74.4	Confident	0 Å²	0	41 Å²	41	0%	0	19%	0.191	C	C	.	.			trans	-93.1	155.4	-179.7	68.9	0	0	0	0	111.6	D963 F964 I965 T1055 W1059	T961-D963 PolarHBondContact O-N 3.03Å; T961-F964 HydrophobicContact CG2-CE2 4.31Å; T961-F964 PolarHBondContact O-N 3.03Å; T961-F964 WeakPolarHBondContact OG1-CD1 3.45Å; T961-F964 WeakPolarHBondContact OG1-CD2 3.24Å; T961-F964 VanDerWaalsContact OG1-CG 3.26Å; T961-F964 WeakPolarHBondContact OG1-CG 3.31Å; T961-I965 PolarHBondContact O-N 3.4Å; T961-T1055 HydrophobicContact CG2-CG2 3.99Å; T961-W1059 HydrophobicContact CG2-CD2 3.97Å; T961-W1059 HydrophobicContact CG2-CE3 3.89Å; T961-W1059 HydrophobicContact CG2-CH2 3.27Å; T961-W1059 HydrophobicContact CG2-CZ2 3.38Å; T961-W1059 HydrophobicContact CG2-CZ3 3.55Å
962	Y	82.6	Confident	76.1	Confident	59 Å²	59	41.8 Å²	41.8	23%	0.231	19%	0.191	C	C	.	.	H	α-helix	trans	-56.1	-35.5	174.7	-174.2	-80.6	0	0	0	112.3	K878 F964 I965 H966 W1053	K878-Y962 HydrophobicContact CB-CE1 4.25Å; K878-Y962 HydrophobicContact CD-CD1 4Å; K878-Y962 HydrophobicContact CD-CE1 3.35Å; K878-Y962 HydrophobicContact CG-CD1 3.96Å; K878-Y962 HydrophobicContact CG-CE1 3.72Å; K878-Y962 VanDerWaalsContact NZ-CZ 3.3Å; K878-Y962 PolarHBondContact NZ-OH 2.64Å; Y962-F964 VanDerWaalsContact C-N 3.3Å; Y962-F964 PolarHBondContact O-N 2.84Å; Y962-I965 PolarHBondContact O-N 3.45Å; Y962-H966 HydrophobicContact CE1-CB 4.21Å; Y962-H966 WeakPolarHBondContact O-CB 3.38Å; Y962-H966 PolarHBondContact O-N 3.4Å; Y962-W1053 HydrophobicContact CD2-CE3 4.47Å; Y962-W1053 HydrophobicContact CG-CE3 4.36Å
963	D	85.9	Confident	77	Confident	4 Å²	4	42.1 Å²	42.1	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-65.9	-34.8	-178.2	-61.8	-22.3	0	0	0	111.7	Q864 T961 H966 V967 K1056	Q864-D963 PolarHBondContact NE2-OD2 3.22Å; T961-D963 PolarHBondContact O-N 3.03Å; D963-H966 PolarHBondContact O-N 2.96Å; D963-V967 WeakPolarHBondContact O-CG2 3.5Å; D963-V967 PolarHBondContact O-N 3.06Å; D963-K1056 WeakPolarHBondContact OD1-CE 3.35Å; D963-K1056 IonicContact OD1-NZ 2.76Å; D963-K1056 PolarHBondContact OD1-NZ 2.87Å; D963-K1056 IonicContact OD2-NZ 3.99Å
964	F	91.8	Very high	77.9	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.009	21%	0.213	C	C	.	.	H	α-helix	trans	-69.1	-45.4	175.9	-58	-16.9	0	0	0	111.6	I860 L881 F901 I925 L933 L960 T961 Y962 H966 V967 I968 W1059	I860-F964 HydrophobicContact CD1-CE1 3.46Å; I860-F964 VanDerWaalsContact CD1-CE1 3.46Å; I860-F964 HydrophobicContact CD1-CZ 3.73Å; L881-F964 HydrophobicContact CD2-CD1 4.4Å; F901-F964 HydrophobicContact CE1-CB 4.22Å; F901-F964 HydrophobicContact CE1-CD1 4.46Å; F901-F964 HydrophobicContact CZ-CB 4.3Å; F901-F964 AromaticContact CZ-CD1 3.71Å; F901-F964 HydrophobicContact CZ-CD1 3.71Å; F901-F964 HydrophobicContact CZ-CE1 4.33Å; F901-F964 HydrophobicContact CZ-CG 4.23Å; I925-F964 HydrophobicContact CD1-CZ 4.19Å; I925-F964 HydrophobicContact CG2-CZ 4.24Å; L933-F964 HydrophobicContact CD1-CD1 4.29Å; L933-F964 HydrophobicContact CD1-CE1 3.81Å; L933-F964 HydrophobicContact CD1-CE2 4.34Å; L933-F964 HydrophobicContact CD1-CZ 3.84Å; L960-F964 HydrophobicContact CD1-CB 4.44Å; T961-F964 HydrophobicContact CG2-CE2 4.31Å; T961-F964 PolarHBondContact O-N 3.03Å; T961-F964 WeakPolarHBondContact OG1-CD1 3.45Å; T961-F964 WeakPolarHBondContact OG1-CD2 3.24Å; T961-F964 VanDerWaalsContact OG1-CG 3.26Å; T961-F964 WeakPolarHBondContact OG1-CG 3.31Å; Y962-F964 VanDerWaalsContact C-N 3.3Å; Y962-F964 PolarHBondContact O-N 2.84Å; F964-H966 PolarHBondContact O-N 3.3Å; F964-V967 PolarHBondContact O-N 3.35Å; F964-I968 WeakPolarHBondContact O-CD1 3.34Å; F964-I968 VanDerWaalsContact O-CG1 3.27Å; F964-I968 WeakPolarHBondContact O-CG1 3.47Å; F964-I968 PolarHBondContact O-N 3.36Å; F964-W1059 HydrophobicContact CE1-CH2 4.45Å; F964-W1059 HydrophobicContact CE1-CZ3 4.46Å; F964-W1059 AromaticContact CE2-CH2 3.93Å; F964-W1059 HydrophobicContact CE2-CH2 3.93Å; F964-W1059 AromaticContact CZ-CH2 3.58Å; F964-W1059 HydrophobicContact CZ-CH2 3.58Å; F964-W1059 HydrophobicContact CZ-CZ3 4Å
965	I	89.4	Confident	78.8	Confident	11 Å²	11	39.9 Å²	39.9	6%	0.056	21%	0.213	C	C	.	.	H	α-helix	trans	-59.3	-42.3	177.4	-60.7	163.7	0	0	0	109.9	L960 T961 Y962 V967 I968 Q969 F979 L1049	L960-I965 HydrophobicContact CD1-CG1 4.26Å; L960-I965 HydrophobicContact CD2-CD1 4.07Å; L960-I965 HydrophobicContact CD2-CG1 4.12Å; L960-I965 HydrophobicContact CG-CD1 4.05Å; L960-I965 HydrophobicContact CG-CG1 3.98Å; T961-I965 PolarHBondContact O-N 3.4Å; Y962-I965 PolarHBondContact O-N 3.45Å; I965-V967 PolarHBondContact O-N 2.93Å; I965-I968 PolarHBondContact O-N 3.47Å; I965-Q969 HydrophobicContact CG2-CG 4.22Å; I965-Q969 VanDerWaalsContact O-CB 3.32Å; I965-Q969 WeakPolarHBondContact O-CB 3.4Å; I965-Q969 VanDerWaalsContact O-CG 3.3Å; I965-Q969 WeakPolarHBondContact O-CG 3.07Å; I965-Q969 PolarHBondContact O-N 3.3Å; I965-F979 HydrophobicContact CG1-CE2 4.12Å; I965-F979 HydrophobicContact CG2-CD2 4.26Å; I965-F979 HydrophobicContact CG2-CE2 4.17Å; I965-L1049 HydrophobicContact CD1-CD1 3.42Å; I965-L1049 VanDerWaalsContact CD1-CD1 3.42Å; I965-L1049 HydrophobicContact CG1-CD1 4.39Å
966	H	89.1	Confident	80.2	Confident	18 Å²	18	35.9 Å²	35.9	8%	0.083	21%	0.211	C	C	.	.	H	α-helix	trans	-61.4	-42.3	178.7	-169.1	77.2	0	0	0	112.5	K878 D879 Y962 D963 F964 Q970 G971	K878-H966 PolarHBondContact O-CD2 3.48Å; D879-H966 IonicContact OD1-CD2 2.86Å; D879-H966 IonicContact OD1-CE1 3.67Å; D879-H966 IonicContact OD1-NE2 3.71Å; D879-H966 PolarHBondContact OD1-NE2 3.23Å; Y962-H966 HydrophobicContact CE1-CB 4.21Å; Y962-H966 WeakPolarHBondContact O-CB 3.38Å; Y962-H966 PolarHBondContact O-N 3.4Å; D963-H966 PolarHBondContact O-N 2.96Å; F964-H966 PolarHBondContact O-N 3.3Å; H966-Q970 PolarHBondContact O-N 3.22Å; H966-G971 VanDerWaalsContact CE1-CA 3.44Å; H966-G971 WeakPolarHBondContact CE1-CA 3.41Å; H966-G971 PolarHBondContact O-N 3.37Å
967	V	92.1	Very high	81.7	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.9	-48.2	174.5	173.8	0	0	0	0	111.3	L881 L882 L885 F901 D963 F964 I965 Q969 Q970	L881-V967 HydrophobicContact CB-CG2 4.18Å; L881-V967 HydrophobicContact CD2-CG2 3.89Å; L881-V967 HydrophobicContact CG-CG2 3.91Å; L882-V967 HydrophobicContact CB-CG2 4.19Å; L885-V967 HydrophobicContact CD1-CG1 3.8Å; F901-V967 HydrophobicContact CB-CG1 4.37Å; F901-V967 HydrophobicContact CD1-CB 4.07Å; F901-V967 HydrophobicContact CD1-CG1 3.5Å; F901-V967 HydrophobicContact CD2-CG1 4.22Å; F901-V967 HydrophobicContact CE1-CB 3.81Å; F901-V967 HydrophobicContact CE1-CG1 3.76Å; F901-V967 HydrophobicContact CE2-CG1 4.44Å; F901-V967 HydrophobicContact CG-CG1 3.76Å; F901-V967 HydrophobicContact CZ-CB 4.2Å; F901-V967 HydrophobicContact CZ-CG1 4.23Å; F901-V967 HydrophobicContact CZ-CG2 4.44Å; D963-V967 WeakPolarHBondContact O-CG2 3.5Å; D963-V967 PolarHBondContact O-N 3.06Å; F964-V967 PolarHBondContact O-N 3.35Å; I965-V967 PolarHBondContact O-N 2.93Å; V967-Q969 VanDerWaalsContact C-N 3.26Å; V967-Q969 PolarHBondContact O-N 3.31Å; V967-Q970 WeakPolarHBondContact O-CA 3.21Å; V967-Q970 PolarHBondContact O-N 3.01Å
968	I	92.2	Very high	83	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.1	-37.5	179.9	-67.2	163.3	0	0	0	111.2	F901 T902 F964 I965 Q970 F979 F982	F901-I968 HydrophobicContact CD1-CG1 4.15Å; F901-I968 HydrophobicContact CE1-CG1 4.21Å; T902-I968 HydrophobicContact CG2-CG1 4.3Å; T902-I968 HydrophobicContact CG2-CG2 4.16Å; F964-I968 WeakPolarHBondContact O-CD1 3.34Å; F964-I968 VanDerWaalsContact O-CG1 3.27Å; F964-I968 WeakPolarHBondContact O-CG1 3.47Å; F964-I968 PolarHBondContact O-N 3.36Å; I965-I968 PolarHBondContact O-N 3.47Å; I968-Q970 PolarHBondContact O-N 3.41Å; I968-F979 HydrophobicContact CG2-CD2 4.49Å; I968-F982 HydrophobicContact CD1-CD1 4.28Å; I968-F982 HydrophobicContact CD1-CD2 3.69Å; I968-F982 HydrophobicContact CD1-CE1 4.42Å; I968-F982 HydrophobicContact CD1-CE2 3.84Å; I968-F982 HydrophobicContact CD1-CG 3.92Å; I968-F982 HydrophobicContact CD1-CZ 4.22Å; I968-F982 HydrophobicContact CG2-CB 4.09Å
969	Q	90.1	Very high	83.8	Confident	36 Å²	36	43.8 Å²	43.8	17%	0.168	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	1.2	176.8	-69.6	-177.6	-17.5	0	0	113.6	I965 V967 G971 K972 N975 F979	I965-Q969 HydrophobicContact CG2-CG 4.22Å; I965-Q969 VanDerWaalsContact O-CB 3.32Å; I965-Q969 WeakPolarHBondContact O-CB 3.4Å; I965-Q969 VanDerWaalsContact O-CG 3.3Å; I965-Q969 WeakPolarHBondContact O-CG 3.07Å; I965-Q969 PolarHBondContact O-N 3.3Å; V967-Q969 VanDerWaalsContact C-N 3.26Å; V967-Q969 PolarHBondContact O-N 3.31Å; Q969-G971 PolarHBondContact O-N 2.92Å; Q969-K972 WeakPolarHBondContact O-CB 3.21Å; Q969-K972 PolarHBondContact O-N 3.46Å; Q969-N975 HydrophobicContact CB-CB 4.32Å; Q969-N975 HydrophobicContact CG-CB 4.43Å; Q969-F979 HydrophobicContact CG-CB 4.46Å
970	Q	86.9	Confident	84.8	Confident	43 Å²	43	44.7 Å²	44.7	20%	0.201	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	31.5	-176.1	-48.9	-175.6	-46.5	0	0	112.9	D895 I898 H966 V967 I968 K972	D895-Q970 PolarHBondContact OD1-NE2 2.84Å; I898-Q970 HydrophobicContact CD1-CB 4.47Å; I898-Q970 HydrophobicContact CD1-CG 3.94Å; I898-Q970 HydrophobicContact CG2-CG 4.25Å; H966-Q970 PolarHBondContact O-N 3.22Å; V967-Q970 WeakPolarHBondContact O-CA 3.21Å; V967-Q970 PolarHBondContact O-N 3.01Å; I968-Q970 PolarHBondContact O-N 3.41Å; Q970-K972 PolarHBondContact O-N 3.32Å
971	G	80.4	Confident	85.3	Confident	31 Å²	31	51 Å²	51	32%	0.32	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	6.3	-175.5	0	0	0	0	0	115.4	H966 Q969	H966-G971 VanDerWaalsContact CE1-CA 3.44Å; H966-G971 WeakPolarHBondContact CE1-CA 3.41Å; H966-G971 PolarHBondContact O-N 3.37Å; Q969-G971 PolarHBondContact O-N 2.92Å
972	K	81.7	Confident	85.9	Confident	126 Å²	126	51 Å²	51	55%	0.548	28%	0.278	S	S	.	.			trans	-92.8	115.3	178.9	-62.1	175.2	-177.4	166.8	0	110.1	Q969 Q970 G974 N975	Q969-K972 WeakPolarHBondContact O-CB 3.21Å; Q969-K972 PolarHBondContact O-N 3.46Å; Q970-K972 PolarHBondContact O-N 3.32Å; K972-G974 PolarHBondContact O-N 3.38Å; K972-G974 VanDerWaalsContact O-N 3.1Å; K972-N975 HydrophobicContact CB-CB 4.49Å; K972-N975 PolarHBondContact O-N 3.48Å
973	T	73.2	Confident	86.5	Confident	135 Å²	135	51.2 Å²	51.2	83%	0.828	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	114.6	174.2	46.3	0	0	0	0	110.2
974	G	69.6	Low	87	Confident	54 Å²	54	55.5 Å²	55.5	56%	0.557	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.7	17	174.3	0	0	0	0	0	116.6	K972 T976	K972-G974 PolarHBondContact O-N 3.38Å; K972-G974 VanDerWaalsContact O-N 3.1Å; G974-T976 VanDerWaalsContact C-N 3.34Å; G974-T976 PolarHBondContact O-N 2.85Å
975	N	75.4	Confident	87.2	Confident	34 Å²	34	56 Å²	56	18%	0.182	30%	0.302	C	S	.	.			trans	-70.5	87	171.3	-171.3	-13.6	0	0	0	111.1	Q969 K972 K978 F979	Q969-N975 HydrophobicContact CB-CB 4.32Å; Q969-N975 HydrophobicContact CG-CB 4.43Å; K972-N975 HydrophobicContact CB-CB 4.49Å; K972-N975 PolarHBondContact O-N 3.48Å; N975-K978 PolarHBondContact OD1-N 2.91Å; N975-F979 PolarHBondContact O-N 3.29Å
976	T	79.4	Confident	87.6	Confident	117 Å²	117	55.5 Å²	55.5	72%	0.718	30%	0.3	S	S	*	.	H	α-helix	trans	-73.1	-26.8	-175.5	48.3	0	0	0	0	113.4	G974 G980	G974-T976 VanDerWaalsContact C-N 3.34Å; G974-T976 PolarHBondContact O-N 2.85Å; T976-G980 WeakPolarHBondContact O-CA 3.48Å; T976-G980 PolarHBondContact O-N 3.25Å
977	E	88	Confident	88	Confident	158 Å²	158	55.2 Å²	55.2	74%	0.738	30%	0.298	S	S	*	.	H	α-helix	trans	-69.2	-55.1	-179	-172.6	-171.1	161	0	0	111.4	F979 G980 R981	E977-F979 PolarHBondContact O-N 3.49Å; E977-G980 PolarHBondContact O-N 3.29Å; E977-R981 PolarHBondContact O-N 3.4Å
978	K	87.3	Confident	88.3	Confident	51 Å²	51	58.1 Å²	58.1	22%	0.222	31%	0.314	C	S	.	.	H	α-helix	trans	-63.8	-41.6	-179.8	-76.1	-68	-168.3	175.7	0	112.1	E899 N975 R981 F982	E899-K978 IonicContact OE2-NZ 3.03Å; E899-K978 PolarHBondContact OE2-NZ 2.96Å; E899-K978 VanDerWaalsContact OE2-NZ 3.11Å; N975-K978 PolarHBondContact OD1-N 2.91Å; K978-R981 PolarHBondContact O-N 3.19Å; K978-F982 PolarHBondContact O-N 2.99Å
979	F	89.1	Confident	88.5	Confident	25 Å²	25	58.1 Å²	58.1	11%	0.11	31%	0.314	C	S	.	.	H	α-helix	trans	-68.9	-34.6	175.5	-170.3	-101.8	0	0	0	112.4	L960 I965 I968 Q969 N975 E977 F982 R983 F1045 L1049	L960-F979 HydrophobicContact CD2-CE2 4.5Å; L960-F979 HydrophobicContact CD2-CZ 4.46Å; I965-F979 HydrophobicContact CG1-CE2 4.12Å; I965-F979 HydrophobicContact CG2-CD2 4.26Å; I965-F979 HydrophobicContact CG2-CE2 4.17Å; I968-F979 HydrophobicContact CG2-CD2 4.49Å; Q969-F979 HydrophobicContact CG-CB 4.46Å; N975-F979 PolarHBondContact O-N 3.29Å; E977-F979 PolarHBondContact O-N 3.49Å; F979-F982 HydrophobicContact CD2-CD1 4.28Å; F979-F982 AromaticContact CE2-CD1 4Å; F979-F982 HydrophobicContact CE2-CD1 4Å; F979-F982 HydrophobicContact CE2-CE1 4.37Å; F979-F982 WeakPolarHBondContact O-CB 3.46Å; F979-F982 PolarHBondContact O-N 3.03Å; F979-R983 PolarHBondContact O-N 2.57Å; F979-F1045 HydrophobicContact CE1-CE1 4.17Å; F979-F1045 HydrophobicContact CE1-CZ 4.45Å; F979-F1045 AromaticContact CZ-CE1 3.9Å; F979-F1045 HydrophobicContact CZ-CE1 3.9Å; F979-F1045 AromaticContact CZ-CZ 3.92Å; F979-F1045 HydrophobicContact CZ-CZ 3.92Å; F979-L1049 HydrophobicContact CE1-CD2 3.98Å; F979-L1049 HydrophobicContact CE2-CD1 4.43Å; F979-L1049 HydrophobicContact CZ-CD1 3.79Å; F979-L1049 HydrophobicContact CZ-CD2 3.98Å
980	G	91.3	Very high	88.9	Confident	34 Å²	34	56.4 Å²	56.4	35%	0.351	31%	0.306	S	S	.	.	H	α-helix	trans	-62.9	-42.9	173.1	0	0	0	0	0	112.3	T976 E977 R983 Q984	T976-G980 WeakPolarHBondContact O-CA 3.48Å; T976-G980 PolarHBondContact O-N 3.25Å; E977-G980 PolarHBondContact O-N 3.29Å; G980-R983 WeakPolarHBondContact O-CB 3.3Å; G980-R983 PolarHBondContact O-N 2.75Å; G980-Q984 PolarHBondContact O-N 2.73Å
981	R	93.3	Very high	89.5	Confident	132 Å²	132	55.2 Å²	55.2	50%	0.498	30%	0.301	S	S	.	.	H	α-helix	trans	-61.6	-45.5	173.4	-179.9	174.4	169.7	138.7	-1.8	112.1	E899 E977 K978 R983 Q984 C985	E899-R981 IonicContact OE1-CZ 2.69Å; E899-R981 IonicContact OE1-NE 3.14Å; E899-R981 PolarHBondContact OE1-NE 2.94Å; E899-R981 IonicContact OE1-NH2 2.66Å; E899-R981 PolarHBondContact OE1-NH2 2.7Å; E899-R981 IonicContact OE2-NE 2.69Å; E977-R981 PolarHBondContact O-N 3.4Å; K978-R981 PolarHBondContact O-N 3.19Å; R981-R983 VanDerWaalsContact C-N 3.3Å; R981-R983 PolarHBondContact O-N 3.04Å; R981-Q984 PolarHBondContact O-N 3.45Å; R981-C985 PolarHBondContact O-N 3.19Å; R981-C985 PolarHBondContact O-SG 3.5Å; R981-C985 VanDerWaalsContact O-SG 3.34Å
982	F	95.1	Very high	90.3	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-54.6	-47.6	173.5	169.4	-104.7	0	0	0	111.8	T902 C905 A906 L960 I968 K978 F979 C985 C986 F1045	T902-F982 HydrophobicContact CG2-CB 3.8Å; T902-F982 HydrophobicContact CG2-CD2 3.97Å; T902-F982 HydrophobicContact CG2-CG 4.36Å; C905-F982 HydrophobicContact CB-CE2 4.23Å; A906-F982 HydrophobicContact CB-CD2 3.91Å; A906-F982 HydrophobicContact CB-CE2 3.83Å; L960-F982 HydrophobicContact CD1-CE1 3.85Å; L960-F982 HydrophobicContact CD1-CZ 3.72Å; L960-F982 HydrophobicContact CD2-CE1 4.21Å; I968-F982 HydrophobicContact CD1-CD1 4.28Å; I968-F982 HydrophobicContact CD1-CD2 3.69Å; I968-F982 HydrophobicContact CD1-CE1 4.42Å; I968-F982 HydrophobicContact CD1-CE2 3.84Å; I968-F982 HydrophobicContact CD1-CG 3.92Å; I968-F982 HydrophobicContact CD1-CZ 4.22Å; I968-F982 HydrophobicContact CG2-CB 4.09Å; K978-F982 PolarHBondContact O-N 2.99Å; F979-F982 HydrophobicContact CD2-CD1 4.28Å; F979-F982 AromaticContact CE2-CD1 4Å; F979-F982 HydrophobicContact CE2-CD1 4Å; F979-F982 HydrophobicContact CE2-CE1 4.37Å; F979-F982 WeakPolarHBondContact O-CB 3.46Å; F979-F982 PolarHBondContact O-N 3.03Å; F982-C985 PolarHBondContact O-N 3.01Å; F982-C986 PolarHBondContact O-N 3.48Å; F982-C986 PolarHBondContact O-SG 3.49Å; F982-F1045 HydrophobicContact CD1-CE2 4.19Å; F982-F1045 AromaticContact CD1-CZ 3.9Å; F982-F1045 HydrophobicContact CD1-CZ 3.9Å; F982-F1045 AromaticContact CE1-CE2 3.62Å; F982-F1045 HydrophobicContact CE1-CE2 3.62Å; F982-F1045 AromaticContact CE1-CZ 3.63Å; F982-F1045 HydrophobicContact CE1-CZ 3.63Å; F982-F1045 HydrophobicContact CZ-CE2 4.43Å
983	R	95.3	Very high	91.1	Very high	65 Å²	65	48.5 Å²	48.5	25%	0.245	26%	0.263	C	S	.	.	H	α-helix	trans	-60.4	-46.3	177.7	-171.5	-175.5	-164.1	142.4	16.8	111.9	F979 G980 R981 C985 C986 E987 F1045 D1046	F979-R983 PolarHBondContact O-N 2.57Å; G980-R983 WeakPolarHBondContact O-CB 3.3Å; G980-R983 PolarHBondContact O-N 2.75Å; R981-R983 VanDerWaalsContact C-N 3.3Å; R981-R983 PolarHBondContact O-N 3.04Å; R983-C985 PolarHBondContact O-N 2.79Å; R983-C986 WeakPolarHBondContact O-CB 3.46Å; R983-C986 PolarHBondContact O-N 2.81Å; R983-E987 WeakPolarHBondContact CG-OE1 3.31Å; R983-E987 IonicContact NE-OE1 3.29Å; R983-E987 PolarHBondContact NE-OE1 2.94Å; R983-E987 WeakPolarHBondContact O-CG 3.48Å; R983-E987 PolarHBondContact O-N 3.37Å; R983-F1045 HydrophobicContact CB-CE1 4.42Å; R983-F1045 HydrophobicContact CB-CZ 4.15Å; R983-F1045 HydrophobicContact CG-CD1 4.38Å; R983-F1045 HydrophobicContact CG-CE1 3.98Å; R983-F1045 HydrophobicContact CG-CZ 4.06Å; R983-D1046 IonicContact CZ-OD1 3.61Å; R983-D1046 IonicContact NH1-OD1 3.63Å; R983-D1046 PolarHBondContact NH1-OD1 2.94Å; R983-D1046 IonicContact NH2-OD1 2.72Å; R983-D1046 PolarHBondContact NH2-OD1 2.87Å; R983-D1046 IonicContact NH2-OD2 3.48Å; R983-D1046 PolarHBondContact NH2-OD2 3.44Å; R983-D1046 VanDerWaalsContact NH2-OD2 3.07Å
984	Q	95.9	Very high	92.3	Very high	93 Å²	93	43.8 Å²	43.8	44%	0.435	23%	0.23	S	C	.	.	H	α-helix	trans	-59.2	-46.2	177.6	-172	61.4	50	0	0	111.2	G980 R981 C986 E987 D988	G980-Q984 PolarHBondContact O-N 2.73Å; R981-Q984 PolarHBondContact O-N 3.45Å; Q984-C986 VanDerWaalsContact C-N 3.31Å; Q984-C986 PolarHBondContact O-N 3.38Å; Q984-E987 PolarHBondContact O-N 2.67Å; Q984-E987 VanDerWaalsContact O-N 3.12Å; Q984-D988 VanDerWaalsContact NE2-CG 3.34Å; Q984-D988 PolarHBondContact NE2-OD1 3.03Å; Q984-D988 PolarHBondContact NE2-OD2 3.11Å; Q984-D988 VanDerWaalsContact O-CG 3.32Å; Q984-D988 PolarHBondContact O-N 3.18Å
985	C	96.7	Very high	93.5	Very high	13 Å²	13	48.4 Å²	48.4	9%	0.088	23%	0.231	C	C	.	.	H	α-helix	trans	-58.2	-41.6	175.2	-66.9	0	0	0	0	112.3	L834 A906 R981 F982 R983 A989	L834-C985 HydrophobicContact CD2-CB 4.34Å; A906-C985 HydrophobicContact CB-CB 3.96Å; R981-C985 PolarHBondContact O-N 3.19Å; R981-C985 PolarHBondContact O-SG 3.5Å; R981-C985 VanDerWaalsContact O-SG 3.34Å; F982-C985 PolarHBondContact O-N 3.01Å; R983-C985 PolarHBondContact O-N 2.79Å; C985-A989 WeakPolarHBondContact O-CB 3.43Å; C985-A989 PolarHBondContact O-N 3.12Å
986	C	97.4	Very high	94.5	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.8	-40.9	175.6	-70.6	0	0	0	0	112.6	V910 F982 R983 Q984 Y990 F1041 F1045	V910-C986 HydrophobicContact CG2-CB 3.98Å; V910-C986 WeakPolarHBondContact CG2-O 3.39Å; F982-C986 PolarHBondContact O-N 3.48Å; F982-C986 PolarHBondContact O-SG 3.49Å; R983-C986 WeakPolarHBondContact O-CB 3.46Å; R983-C986 PolarHBondContact O-N 2.81Å; Q984-C986 VanDerWaalsContact C-N 3.31Å; Q984-C986 PolarHBondContact O-N 3.38Å; C986-Y990 WeakPolarHBondContact O-CB 3.39Å; C986-Y990 PolarHBondContact O-N 3.03Å; C986-F1041 HydrophobicContact CB-CE1 4.17Å; C986-F1041 HydrophobicContact CB-CZ 4.21Å; C986-F1045 HydrophobicContact CB-CE2 4.34Å
987	E	97.6	Very high	95.3	Very high	13 Å²	13	44.4 Å²	44.4	6%	0.061	20%	0.203	C	C	.	.	H	α-helix	trans	-65.1	-49.3	178.5	-71.8	174.8	-164.6	0	0	111.3	R983 Q984 Y990 L991 L1038 F1041 K1042	R983-E987 WeakPolarHBondContact CG-OE1 3.31Å; R983-E987 IonicContact NE-OE1 3.29Å; R983-E987 PolarHBondContact NE-OE1 2.94Å; R983-E987 WeakPolarHBondContact O-CG 3.48Å; R983-E987 PolarHBondContact O-N 3.37Å; Q984-E987 PolarHBondContact O-N 2.67Å; Q984-E987 VanDerWaalsContact O-N 3.12Å; E987-Y990 PolarHBondContact O-N 2.72Å; E987-L991 WeakPolarHBondContact O-CG 3.41Å; E987-L991 PolarHBondContact O-N 3.09Å; E987-L991 VanDerWaalsContact O-N 3.09Å; E987-L1038 HydrophobicContact CB-CD1 3.91Å; E987-L1038 HydrophobicContact CG-CD1 3.94Å; E987-F1041 HydrophobicContact CG-CD1 4.38Å; E987-F1041 HydrophobicContact CG-CE1 4.34Å; E987-K1042 WeakPolarHBondContact OE1-CE 3.47Å; E987-K1042 IonicContact OE1-NZ 3.86Å; E987-K1042 WeakPolarHBondContact OE2-CE 3.17Å; E987-K1042 IonicContact OE2-NZ 3.79Å; E987-K1042 PolarHBondContact OE2-NZ 3.4Å
988	D	97.8	Very high	95.6	Very high	60 Å²	60	40.2 Å²	40.2	32%	0.321	19%	0.186	S	C	.	.	H	α-helix	trans	-63.1	-45.6	178.9	-64.5	-25.7	0	0	0	111.1	L832 Q984 Y990 L991 I992	L832-D988 HydrophobicContact CD2-CB 4.2Å; Q984-D988 VanDerWaalsContact NE2-CG 3.34Å; Q984-D988 PolarHBondContact NE2-OD1 3.03Å; Q984-D988 PolarHBondContact NE2-OD2 3.11Å; Q984-D988 VanDerWaalsContact O-CG 3.32Å; Q984-D988 PolarHBondContact O-N 3.18Å; D988-Y990 VanDerWaalsContact C-N 3.34Å; D988-Y990 PolarHBondContact O-N 3.46Å; D988-L991 PolarHBondContact O-N 2.95Å; D988-I992 WeakPolarHBondContact O-CD1 3.43Å; D988-I992 VanDerWaalsContact O-CG1 3.27Å; D988-I992 WeakPolarHBondContact O-CG1 3.43Å; D988-I992 PolarHBondContact O-N 2.82Å
989	A	98.1	Very high	96	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59	-43.4	177.4	0	0	0	0	0	112.3	W827 L832 L834 V910 C985 I992 L993	W827-A989 HydrophobicContact CZ2-CB 4.02Å; W827-A989 PolarHBondContact NE1-O 2.9Å; L832-A989 HydrophobicContact CD2-CB 4.06Å; L834-A989 HydrophobicContact CD1-CB 3.61Å; V910-A989 HydrophobicContact CB-CB 4.41Å; V910-A989 HydrophobicContact CG1-CB 4.3Å; V910-A989 HydrophobicContact CG2-CB 4.12Å; C985-A989 WeakPolarHBondContact O-CB 3.43Å; C985-A989 PolarHBondContact O-N 3.12Å; A989-I992 PolarHBondContact O-N 2.89Å; A989-L993 WeakPolarHBondContact O-CG 3.3Å; A989-L993 PolarHBondContact O-N 2.85Å; A989-L993 VanDerWaalsContact O-N 3.17Å
990	Y	98.4	Very high	96.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.5	-45.4	177.3	174.8	-103.4	0	0	0	111.8	Y913 V914 C986 E987 D988 I992 L993 R994 S1027 L1028 A1037 F1041	Y913-Y990 HydrophobicContact CD1-CE2 4.45Å; Y913-Y990 HydrophobicContact CE1-CD2 4.37Å; Y913-Y990 AromaticContact CE1-CE2 3.89Å; Y913-Y990 HydrophobicContact CE1-CE2 3.89Å; V914-Y990 HydrophobicContact CG2-CD2 4.23Å; V914-Y990 HydrophobicContact CG2-CE2 4.46Å; C986-Y990 WeakPolarHBondContact O-CB 3.39Å; C986-Y990 PolarHBondContact O-N 3.03Å; E987-Y990 PolarHBondContact O-N 2.72Å; D988-Y990 VanDerWaalsContact C-N 3.34Å; D988-Y990 PolarHBondContact O-N 3.46Å; Y990-I992 PolarHBondContact O-N 3.39Å; Y990-L993 PolarHBondContact O-N 3.08Å; Y990-R994 WeakPolarHBondContact O-CB 2.99Å; Y990-R994 PolarHBondContact O-N 3.47Å; Y990-S1027 WeakPolarHBondContact CE2-O 3.02Å; Y990-S1027 PolarHBondContact OH-O 3.21Å; Y990-L1028 HydrophobicContact CE2-CD2 4.21Å; Y990-L1028 VanDerWaalsContact OH-C 3.27Å; Y990-L1028 PolarHBondContact OH-O 2.84Å; Y990-A1037 HydrophobicContact CE1-CB 4.36Å; Y990-F1041 HydrophobicContact CD1-CB 3.86Å; Y990-F1041 HydrophobicContact CD1-CD1 4.24Å; Y990-F1041 HydrophobicContact CD1-CD2 4.16Å; Y990-F1041 AromaticContact CD1-CG 3.82Å; Y990-F1041 HydrophobicContact CD1-CG 3.82Å; Y990-F1041 AromaticContact CD2-CD2 3.69Å; Y990-F1041 HydrophobicContact CD2-CD2 3.69Å; Y990-F1041 AromaticContact CD2-CE2 3.98Å; Y990-F1041 HydrophobicContact CD2-CE2 3.98Å; Y990-F1041 HydrophobicContact CD2-CG 4.2Å; Y990-F1041 HydrophobicContact CE1-CB 3.75Å; Y990-F1041 HydrophobicContact CE1-CD2 4.44Å; Y990-F1041 HydrophobicContact CE1-CG 4.15Å; Y990-F1041 AromaticContact CE2-CD2 3.99Å; Y990-F1041 HydrophobicContact CE2-CD2 3.99Å; Y990-F1041 HydrophobicContact CG-CB 4.34Å; Y990-F1041 HydrophobicContact CG-CD1 4.2Å; Y990-F1041 AromaticContact CG-CD2 3.77Å; Y990-F1041 HydrophobicContact CG-CD2 3.77Å; Y990-F1041 HydrophobicContact CG-CE1 4.5Å; Y990-F1041 HydrophobicContact CG-CE2 4.1Å; Y990-F1041 AromaticContact CG-CG 3.83Å; Y990-F1041 HydrophobicContact CG-CG 3.83Å; Y990-F1041 HydrophobicContact CG-CZ 4.46Å
991	L	98.3	Very high	96.6	Very high	18 Å²	18	35.6 Å²	35.6	9%	0.094	16%	0.157	C	C	.	.	H	α-helix	trans	-64.2	-40.2	179.5	-70.6	-178.2	0	0	0	112.5	E987 D988 R994 R995 E1034 L1038	E987-L991 WeakPolarHBondContact O-CG 3.41Å; E987-L991 PolarHBondContact O-N 3.09Å; E987-L991 VanDerWaalsContact O-N 3.09Å; D988-L991 PolarHBondContact O-N 2.95Å; L991-R994 PolarHBondContact O-N 2.89Å; L991-R995 WeakPolarHBondContact O-CG 3.35Å; L991-R995 PolarHBondContact O-N 2.84Å; L991-R995 VanDerWaalsContact O-N 3.12Å; L991-E1034 HydrophobicContact CD2-CG 3.56Å; L991-L1038 HydrophobicContact CD1-CD1 4.29Å; L991-L1038 HydrophobicContact CD1-CD2 4.29Å; L991-L1038 HydrophobicContact CD2-CB 4.27Å; L991-L1038 HydrophobicContact CD2-CD1 4.47Å; L991-L1038 HydrophobicContact CG-CD1 4.32Å
992	I	98.3	Very high	96.7	Very high	16 Å²	16	29.7 Å²	29.7	8%	0.082	14%	0.135	C	C	.	.	H	α-helix	trans	-59.3	-50.4	175.2	-67	158.5	0	0	0	110	L826 A830 L832 D988 A989 Y990 R994 R995 H996	L826-I992 HydrophobicContact CB-CG2 4.4Å; A830-I992 HydrophobicContact CB-CD1 3.67Å; A830-I992 HydrophobicContact CB-CG1 3.93Å; A830-I992 HydrophobicContact CB-CG2 4.13Å; L832-I992 HydrophobicContact CB-CD1 4.24Å; L832-I992 HydrophobicContact CD2-CD1 3.9Å; D988-I992 WeakPolarHBondContact O-CD1 3.43Å; D988-I992 VanDerWaalsContact O-CG1 3.27Å; D988-I992 WeakPolarHBondContact O-CG1 3.43Å; D988-I992 PolarHBondContact O-N 2.82Å; A989-I992 PolarHBondContact O-N 2.89Å; Y990-I992 PolarHBondContact O-N 3.39Å; I992-R994 VanDerWaalsContact C-N 3.28Å; I992-R994 PolarHBondContact O-N 2.88Å; I992-R995 PolarHBondContact O-N 3.34Å; I992-H996 PolarHBondContact O-CD2 3.13Å; I992-H996 VanDerWaalsContact O-CD2 3.3Å
993	L	98.2	Very high	96.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.4	-38.2	178.6	-63.8	-169.3	0	0	0	112.5	M823 L826 W827 V910 V914 A989 Y990 R995 H996 G997 F1000 L1028	M823-L993 HydrophobicContact CB-CD2 3.95Å; M823-L993 HydrophobicContact CE-CD1 3.79Å; M823-L993 HydrophobicContact CG-CD1 3.88Å; M823-L993 HydrophobicContact CG-CD2 3.68Å; M823-L993 HydrophobicContact CG-CG 4.45Å; M823-L993 HydrophobicContact SD-CD1 3.72Å; L826-L993 HydrophobicContact CD1-CD2 4.42Å; W827-L993 HydrophobicContact CH2-CD1 4.49Å; W827-L993 HydrophobicContact CZ2-CD1 3.61Å; W827-L993 HydrophobicContact CZ2-CD2 4.08Å; W827-L993 HydrophobicContact CZ2-CG 3.88Å; V910-L993 HydrophobicContact CG1-CD1 4.05Å; V914-L993 HydrophobicContact CB-CD1 4.47Å; V914-L993 HydrophobicContact CG1-CD1 4.47Å; V914-L993 HydrophobicContact CG2-CD1 4.14Å; A989-L993 WeakPolarHBondContact O-CG 3.3Å; A989-L993 PolarHBondContact O-N 2.85Å; A989-L993 VanDerWaalsContact O-N 3.17Å; Y990-L993 PolarHBondContact O-N 3.08Å; L993-R995 VanDerWaalsContact C-N 3.34Å; L993-R995 PolarHBondContact O-N 2.79Å; L993-H996 CarbonylContact O-C 3.18Å; L993-H996 PolarHBondContact O-N 2.81Å; L993-H996 VanDerWaalsContact O-N 3.09Å; L993-G997 PolarHBondContact O-N 3.35Å; L993-G997 VanDerWaalsContact O-N 3.15Å; L993-F1000 HydrophobicContact CB-CE2 4.34Å; L993-F1000 HydrophobicContact CD2-CE2 4.01Å; L993-F1000 HydrophobicContact CD2-CZ 3.91Å; L993-L1028 HydrophobicContact CB-CD2 4.15Å
994	R	97	Very high	96.8	Very high	36 Å²	36	26.7 Å²	26.7	14%	0.136	12%	0.124	C	C	.	.	H	α-helix	trans	-60.6	-41	178.5	-174.9	-179	166.5	-71.1	-8.9	112.2	Y990 L991 I992 H996 G997 L1028 L1030 K1032 E1034	Y990-R994 WeakPolarHBondContact O-CB 2.99Å; Y990-R994 PolarHBondContact O-N 3.47Å; L991-R994 PolarHBondContact O-N 2.89Å; I992-R994 VanDerWaalsContact C-N 3.28Å; I992-R994 PolarHBondContact O-N 2.88Å; R994-H996 PolarHBondContact O-N 2.91Å; R994-G997 PolarHBondContact O-N 3.23Å; R994-L1028 HydrophobicContact CB-CD2 4.34Å; R994-L1028 VanDerWaalsContact CD-O 3.25Å; R994-L1028 WeakPolarHBondContact CD-O 3.35Å; R994-L1028 HydrophobicContact CG-CB 4.5Å; R994-L1028 WeakPolarHBondContact CG-O 3.49Å; R994-L1028 PolarHBondContact NE-O 2.85Å; R994-L1030 HydrophobicContact CG-CD2 3.96Å; R994-K1032 PolarHBondContact NH2-O 2.9Å; R994-E1034 IonicContact NH1-OE2 3.66Å
995	R	95.8	Very high	96.7	Very high	152 Å²	152	22.6 Å²	22.6	57%	0.574	11%	0.106	S	C	*	.	H	α-helix	trans	-62.7	-25.3	176.7	-68.7	173.5	-169.7	153.4	3.9	112.8	L991 I992 L993 E1034	L991-R995 WeakPolarHBondContact O-CG 3.35Å; L991-R995 PolarHBondContact O-N 2.84Å; L991-R995 VanDerWaalsContact O-N 3.12Å; I992-R995 PolarHBondContact O-N 3.34Å; L993-R995 VanDerWaalsContact C-N 3.34Å; L993-R995 PolarHBondContact O-N 2.79Å; R995-E1034 IonicContact CZ-OE1 3.12Å; R995-E1034 IonicContact CZ-OE2 2.74Å; R995-E1034 IonicContact NE-OE1 2.8Å; R995-E1034 IonicContact NE-OE2 3.16Å; R995-E1034 PolarHBondContact NE-OE2 3.31Å; R995-E1034 VanDerWaalsContact NE-OE2 3.16Å; R995-E1034 IonicContact NH2-OE1 2.76Å; R995-E1034 PolarHBondContact NH2-OE1 3.48Å; R995-E1034 IonicContact NH2-OE2 3.24Å
996	H	96.3	Very high	96.6	Very high	66 Å²	66	22 Å²	22	31%	0.306	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	18	175.5	-62.3	-76.7	0	0	0	113.3	L826 I992 L993 R994 N998 L999 F1000	L826-H996 HydrophobicContact CD1-CB 3.75Å; I992-H996 PolarHBondContact O-CD2 3.13Å; I992-H996 VanDerWaalsContact O-CD2 3.3Å; L993-H996 CarbonylContact O-C 3.18Å; L993-H996 PolarHBondContact O-N 2.81Å; L993-H996 VanDerWaalsContact O-N 3.09Å; R994-H996 PolarHBondContact O-N 2.91Å; H996-N998 VanDerWaalsContact C-N 3.26Å; H996-N998 PolarHBondContact O-N 3.21Å; H996-L999 WeakPolarHBondContact O-CB 3.23Å; H996-L999 PolarHBondContact O-N 3.32Å; H996-F1000 HydrophobicContact CB-CE2 4.45Å; H996-F1000 WeakPolarHBondContact O-CD2 3.32Å; H996-F1000 PolarHBondContact O-N 2.88Å
997	G	95.9	Very high	96.5	Very high	1 Å²	1	22 Å²	22	1%	0.01	10%	0.102	C	C	.	.	H	α-helix	trans	-55.6	-36.6	-176.2	0	0	0	0	0	114.4	L993 R994 L999 F1000 I1001	L993-G997 PolarHBondContact O-N 3.35Å; L993-G997 VanDerWaalsContact O-N 3.15Å; R994-G997 PolarHBondContact O-N 3.23Å; G997-L999 VanDerWaalsContact C-N 3.31Å; G997-L999 PolarHBondContact O-N 2.91Å; G997-F1000 PolarHBondContact O-N 3.21Å; G997-I1001 WeakPolarHBondContact O-CG1 3.48Å; G997-I1001 PolarHBondContact O-N 2.79Å
998	N	94.1	Very high	96.1	Very high	70 Å²	70	22.5 Å²	22.5	37%	0.374	11%	0.105	S	C	.	.	H	α-helix	trans	-60.6	-39	176.5	-68.9	-11.2	0	0	0	112.1	D545 P546 H996 I1001 T1002	D545-N998 WeakPolarHBondContact CA-OD1 3.46Å; D545-N998 WeakPolarHBondContact CB-OD1 3.2Å; P546-N998 WeakPolarHBondContact CD-OD1 3.45Å; P546-N998 HydrophobicContact CG-CB 4.45Å; H996-N998 VanDerWaalsContact C-N 3.26Å; H996-N998 PolarHBondContact O-N 3.21Å; N998-I1001 PolarHBondContact O-N 3.09Å; N998-T1002 WeakPolarHBondContact O-CB 3.42Å; N998-T1002 PolarHBondContact O-N 2.89Å; N998-T1002 PolarHBondContact O-OG1 3.35Å
999	L	96.3	Very high	95.5	Very high	12 Å²	12	21.2 Å²	21.2	6%	0.063	10%	0.099	C	C	.	.	H	α-helix	trans	-64.5	-44	178.4	179.3	60.5	0	0	0	111.2	R604 L607 Y638 L822 H996 G997 T1002 L1003	R604-L999 HydrophobicContact CB-CD1 4.24Å; L607-L999 HydrophobicContact CD1-CD1 4.14Å; Y638-L999 HydrophobicContact CE1-CD1 4.46Å; L822-L999 HydrophobicContact CD1-CD2 4.12Å; L822-L999 HydrophobicContact CD2-CD2 3.96Å; L822-L999 HydrophobicContact CD2-CG 4.22Å; H996-L999 WeakPolarHBondContact O-CB 3.23Å; H996-L999 PolarHBondContact O-N 3.32Å; G997-L999 VanDerWaalsContact C-N 3.31Å; G997-L999 PolarHBondContact O-N 2.91Å; L999-T1002 PolarHBondContact O-N 3.13Å; L999-L1003 HydrophobicContact CD1-CD1 3.99Å; L999-L1003 HydrophobicContact CD1-CG 4.09Å; L999-L1003 HydrophobicContact CG-CD1 3.93Å; L999-L1003 HydrophobicContact CG-CG 4.44Å; L999-L1003 WeakPolarHBondContact O-CB 3.39Å; L999-L1003 VanDerWaalsContact O-CG 3.23Å; L999-L1003 WeakPolarHBondContact O-CG 3.4Å; L999-L1003 PolarHBondContact O-N 3.1Å
1000	F	96.8	Very high	95.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.6	-47.5	175.8	-69.8	-73	0	0	0	111.2	M819 L822 M823 L826 L993 H996 G997 T1002 L1003 F1004 L1024	M819-F1000 HydrophobicContact SD-CD1 4.05Å; M819-F1000 HydrophobicContact SD-CE1 4.43Å; L822-F1000 HydrophobicContact CD2-CD1 4.34Å; L822-F1000 HydrophobicContact CD2-CE1 3.89Å; L822-F1000 HydrophobicContact CD2-CZ 4.31Å; L822-F1000 HydrophobicContact CG-CE1 4.3Å; L822-F1000 HydrophobicContact CG-CZ 4.41Å; M823-F1000 HydrophobicContact CE-CD1 4.35Å; M823-F1000 HydrophobicContact CE-CE1 3.73Å; M823-F1000 HydrophobicContact CE-CZ 3.96Å; M823-F1000 HydrophobicContact CG-CE1 3.84Å; M823-F1000 HydrophobicContact CG-CZ 3.61Å; L826-F1000 HydrophobicContact CD1-CE2 3.9Å; L826-F1000 HydrophobicContact CD1-CZ 3.84Å; L993-F1000 HydrophobicContact CB-CE2 4.34Å; L993-F1000 HydrophobicContact CD2-CE2 4.01Å; L993-F1000 HydrophobicContact CD2-CZ 3.91Å; H996-F1000 HydrophobicContact CB-CE2 4.45Å; H996-F1000 WeakPolarHBondContact O-CD2 3.32Å; H996-F1000 PolarHBondContact O-N 2.88Å; G997-F1000 PolarHBondContact O-N 3.21Å; F1000-T1002 VanDerWaalsContact C-N 3.32Å; F1000-T1002 PolarHBondContact O-N 2.96Å; F1000-L1003 PolarHBondContact O-N 3.02Å; F1000-F1004 VanDerWaalsContact O-CD2 3.31Å; F1000-F1004 WeakPolarHBondContact O-CD2 3.02Å; F1000-F1004 PolarHBondContact O-N 2.88Å; F1000-L1024 HydrophobicContact CB-CD1 4.44Å
1001	I	95.4	Very high	94.3	Very high	1 Å²	1	24 Å²	24	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-54.6	-50	176.1	-74.6	173.5	0	0	0	110.8	D545 P546 L547 G997 N998 F1004 A1005 I1021 K1025 L1030	D545-I1001 HydrophobicContact CB-CD1 4.08Å; P546-I1001 HydrophobicContact CB-CG2 4.16Å; P546-I1001 HydrophobicContact CG-CG2 4.28Å; L547-I1001 HydrophobicContact CD1-CD1 4.35Å; L547-I1001 HydrophobicContact CD1-CG1 4.44Å; L547-I1001 HydrophobicContact CD1-CG2 4.05Å; L547-I1001 HydrophobicContact CD2-CG2 3.86Å; L547-I1001 HydrophobicContact CG-CD1 4.43Å; L547-I1001 HydrophobicContact CG-CG2 3.59Å; G997-I1001 WeakPolarHBondContact O-CG1 3.48Å; G997-I1001 PolarHBondContact O-N 2.79Å; N998-I1001 PolarHBondContact O-N 3.09Å; I1001-F1004 PolarHBondContact O-N 3.06Å; I1001-A1005 WeakPolarHBondContact O-CB 3.39Å; I1001-A1005 PolarHBondContact O-N 3.21Å; I1001-I1021 HydrophobicContact CB-CG2 4.5Å; I1001-I1021 HydrophobicContact CG1-CG2 4.4Å; I1001-I1021 HydrophobicContact CG2-CG2 4.33Å; I1001-K1025 HydrophobicContact CD1-CB 4.43Å; I1001-L1030 HydrophobicContact CD1-CD1 3.48Å; I1001-L1030 VanDerWaalsContact CD1-CD1 3.48Å
1002	T	95.9	Very high	93.8	Very high	8 Å²	8	23.1 Å²	23.1	5%	0.049	12%	0.123	C	C	.	.	H	α-helix	trans	-59.5	-49.5	179.1	-63.8	0	0	0	0	111.2	L607 E608 N998 L999 F1000 F1004 A1005 L1006	L607-T1002 HydrophobicContact CB-CG2 3.9Å; E608-T1002 HydrophobicContact CB-CG2 4.13Å; N998-T1002 WeakPolarHBondContact O-CB 3.42Å; N998-T1002 PolarHBondContact O-N 2.89Å; N998-T1002 PolarHBondContact O-OG1 3.35Å; L999-T1002 PolarHBondContact O-N 3.13Å; F1000-T1002 VanDerWaalsContact C-N 3.32Å; F1000-T1002 PolarHBondContact O-N 2.96Å; T1002-F1004 VanDerWaalsContact C-N 3.31Å; T1002-F1004 PolarHBondContact O-N 3.11Å; T1002-A1005 WeakPolarHBondContact O-CB 3.5Å; T1002-A1005 PolarHBondContact O-N 3.13Å; T1002-L1006 HydrophobicContact CG2-CD1 4.29Å; T1002-L1006 HydrophobicContact CG2-CG 4.38Å; T1002-L1006 VanDerWaalsContact O-CG 3.32Å; T1002-L1006 WeakPolarHBondContact O-CG 3.04Å; T1002-L1006 PolarHBondContact O-N 3.42Å
1003	L	96.9	Very high	92.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62	-37.7	-178.8	-67.9	170.6	0	0	0	112.6	L607 Y638 Q641 M819 L822 L999 F1000 M1007	L607-L1003 HydrophobicContact CD1-CD2 4.11Å; Y638-L1003 HydrophobicContact CD1-CD1 4.1Å; Y638-L1003 HydrophobicContact CD1-CD2 3.59Å; Y638-L1003 HydrophobicContact CD1-CG 4.5Å; Y638-L1003 HydrophobicContact CE1-CD1 3.96Å; Y638-L1003 HydrophobicContact CE1-CD2 4.18Å; Y638-L1003 HydrophobicContact CG-CD2 4.38Å; Q641-L1003 HydrophobicContact CB-CD2 4.38Å; Q641-L1003 HydrophobicContact CG-CB 4.28Å; Q641-L1003 HydrophobicContact CG-CD2 3.78Å; Q641-L1003 WeakPolarHBondContact CG-O 3.38Å; M819-L1003 HydrophobicContact CE-CB 4.23Å; M819-L1003 HydrophobicContact CE-CD1 3.94Å; M819-L1003 HydrophobicContact SD-CB 4.34Å; M819-L1003 HydrophobicContact SD-CD1 4.28Å; L822-L1003 HydrophobicContact CD2-CD1 3.33Å; L999-L1003 HydrophobicContact CD1-CD1 3.99Å; L999-L1003 HydrophobicContact CD1-CG 4.09Å; L999-L1003 HydrophobicContact CG-CD1 3.93Å; L999-L1003 HydrophobicContact CG-CG 4.44Å; L999-L1003 WeakPolarHBondContact O-CB 3.39Å; L999-L1003 VanDerWaalsContact O-CG 3.23Å; L999-L1003 WeakPolarHBondContact O-CG 3.4Å; L999-L1003 PolarHBondContact O-N 3.1Å; F1000-L1003 PolarHBondContact O-N 3.02Å; L1003-M1007 VanDerWaalsContact O-CG 3.27Å; L1003-M1007 WeakPolarHBondContact O-CG 3.34Å; L1003-M1007 PolarHBondContact O-N 2.99Å
1004	F	95.7	Very high	92.1	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.009	15%	0.152	C	C	.	.	H	α-helix	trans	-71.4	-35.9	173.2	-85	-87.9	0	0	0	112.3	L815 M819 L915 I941 L942 F1000 I1001 T1002 L1006 M1007 L1015 I1021 L1024	L815-F1004 HydrophobicContact CD2-CD1 4.23Å; L815-F1004 HydrophobicContact CD2-CE1 3.89Å; L815-F1004 HydrophobicContact CG-CE1 4.47Å; M819-F1004 HydrophobicContact CG-CE2 3.68Å; M819-F1004 HydrophobicContact CG-CZ 3.89Å; M819-F1004 HydrophobicContact SD-CD2 4.23Å; M819-F1004 HydrophobicContact SD-CE2 3.76Å; M819-F1004 HydrophobicContact SD-CZ 4.49Å; L915-F1004 HydrophobicContact CD2-CE2 3.86Å; L915-F1004 HydrophobicContact CD2-CZ 3.9Å; I941-F1004 HydrophobicContact CD1-CE1 4.15Å; L942-F1004 HydrophobicContact CD1-CD1 3.9Å; L942-F1004 HydrophobicContact CD1-CE1 3.91Å; L942-F1004 HydrophobicContact CD2-CD1 4.36Å; L942-F1004 HydrophobicContact CD2-CE1 4Å; L942-F1004 HydrophobicContact CD2-CZ 4.25Å; L942-F1004 HydrophobicContact CG-CE1 4.16Å; F1000-F1004 VanDerWaalsContact O-CD2 3.31Å; F1000-F1004 WeakPolarHBondContact O-CD2 3.02Å; F1000-F1004 PolarHBondContact O-N 2.88Å; I1001-F1004 PolarHBondContact O-N 3.06Å; T1002-F1004 VanDerWaalsContact C-N 3.31Å; T1002-F1004 PolarHBondContact O-N 3.11Å; F1004-L1006 PolarHBondContact O-N 3.43Å; F1004-M1007 PolarHBondContact O-N 3Å; F1004-M1007 VanDerWaalsContact O-N 3.11Å; F1004-L1015 HydrophobicContact CD1-CD1 4.24Å; F1004-L1015 HydrophobicContact CD1-CD2 3.93Å; F1004-I1021 HydrophobicContact CB-CD1 4.4Å; F1004-I1021 HydrophobicContact CB-CG1 4.23Å; F1004-I1021 HydrophobicContact CB-CG2 4.01Å; F1004-L1024 HydrophobicContact CB-CD1 4.15Å; F1004-L1024 HydrophobicContact CD2-CD1 3.33Å; F1004-L1024 HydrophobicContact CE2-CD1 3.76Å; F1004-L1024 HydrophobicContact CG-CD1 3.76Å
1005	A	93.8	Very high	91.6	Very high	6 Å²	6	26 Å²	26	5%	0.05	15%	0.146	C	C	.	.	H	α-helix	trans	-62.3	-42.5	175.1	0	0	0	0	0	111.9	I1001 T1002 M1007 L1008 I1021	I1001-A1005 WeakPolarHBondContact O-CB 3.39Å; I1001-A1005 PolarHBondContact O-N 3.21Å; T1002-A1005 WeakPolarHBondContact O-CB 3.5Å; T1002-A1005 PolarHBondContact O-N 3.13Å; A1005-M1007 PolarHBondContact O-N 2.8Å; A1005-L1008 WeakPolarHBondContact O-CB 3.34Å; A1005-L1008 PolarHBondContact O-N 3.4Å; A1005-I1021 VanDerWaalsContact CA-CD1 3.48Å; A1005-I1021 HydrophobicContact CB-CD1 3.96Å
1006	L	95.4	Very high	90.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.1	-19.8	175.5	-60.4	-178.2	0	0	0	113.2	L607 L610 D611 Q641 V645 T1002 F1004 T1009	L607-L1006 HydrophobicContact CB-CD1 4.32Å; L607-L1006 HydrophobicContact CD2-CD1 4.44Å; L610-L1006 HydrophobicContact CB-CD2 4.43Å; D611-L1006 HydrophobicContact CB-CD2 3.62Å; Q641-L1006 HydrophobicContact CB-CB 3.92Å; Q641-L1006 HydrophobicContact CB-CD1 3.98Å; Q641-L1006 HydrophobicContact CG-CB 4.09Å; V645-L1006 HydrophobicContact CG2-CB 4.14Å; V645-L1006 HydrophobicContact CG2-CD1 4.2Å; V645-L1006 HydrophobicContact CG2-CD2 3.71Å; V645-L1006 HydrophobicContact CG2-CG 4.2Å; T1002-L1006 HydrophobicContact CG2-CD1 4.29Å; T1002-L1006 HydrophobicContact CG2-CG 4.38Å; T1002-L1006 VanDerWaalsContact O-CG 3.32Å; T1002-L1006 WeakPolarHBondContact O-CG 3.04Å; T1002-L1006 PolarHBondContact O-N 3.42Å; F1004-L1006 PolarHBondContact O-N 3.43Å; L1006-T1009 PolarHBondContact O-OG1 2.75Å
1007	M	94.9	Very high	90.2	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.01	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-4.9	178.9	-71.6	-62.1	-63	0	0	114.1	L640 Q641 Q644 L815 L1003 F1004 A1005 T1009 A1010 L1012 L1015	L640-M1007 HydrophobicContact CD2-CE 3.95Å; L640-M1007 HydrophobicContact CD2-SD 4.23Å; L640-M1007 HydrophobicContact CG-CE 4.05Å; L640-M1007 HydrophobicContact CG-SD 3.93Å; Q641-M1007 HydrophobicContact CG-CG 3.91Å; Q641-M1007 HydrophobicContact CG-SD 3.95Å; Q644-M1007 HydrophobicContact CB-SD 4.35Å; Q644-M1007 HydrophobicContact CG-CE 4.08Å; Q644-M1007 HydrophobicContact CG-SD 3.64Å; L815-M1007 HydrophobicContact CB-CE 4.46Å; L815-M1007 HydrophobicContact CD1-CE 4.26Å; L815-M1007 HydrophobicContact CD1-CG 3.77Å; L815-M1007 HydrophobicContact CD1-SD 4.32Å; L815-M1007 HydrophobicContact CD2-CB 4.25Å; L815-M1007 HydrophobicContact CD2-CE 4.19Å; L815-M1007 HydrophobicContact CD2-CG 4.07Å; L1003-M1007 VanDerWaalsContact O-CG 3.27Å; L1003-M1007 WeakPolarHBondContact O-CG 3.34Å; L1003-M1007 PolarHBondContact O-N 2.99Å; F1004-M1007 PolarHBondContact O-N 3Å; F1004-M1007 VanDerWaalsContact O-N 3.11Å; A1005-M1007 PolarHBondContact O-N 2.8Å; M1007-T1009 PolarHBondContact O-N 3.03Å; M1007-A1010 HydrophobicContact CE-CB 3.73Å; M1007-A1010 WeakPolarHBondContact O-CB 3.16Å; M1007-A1010 PolarHBondContact O-N 3.21Å; M1007-L1012 HydrophobicContact CE-CD1 4.19Å; M1007-L1015 HydrophobicContact CB-CD2 3.49Å; M1007-L1015 VanDerWaalsContact CB-CD2 3.49Å
1008	L	89.8	Confident	89.7	Confident	23 Å²	23	23.2 Å²	23.2	12%	0.12	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-58.5	-32.3	178.8	-75.5	167.7	0	0	0	112.5	F612 A1005 A1010 G1011 L1015 V1018 I1021	F612-L1008 HydrophobicContact CE1-CD1 3.76Å; F612-L1008 HydrophobicContact CZ-CD1 4.35Å; A1005-L1008 WeakPolarHBondContact O-CB 3.34Å; A1005-L1008 PolarHBondContact O-N 3.4Å; L1008-A1010 VanDerWaalsContact C-N 3.25Å; L1008-A1010 PolarHBondContact O-N 2.96Å; L1008-G1011 PolarHBondContact O-N 3Å; L1008-L1015 HydrophobicContact CD2-CD1 3.91Å; L1008-L1015 HydrophobicContact CD2-CG 3.97Å; L1008-V1018 HydrophobicContact CD1-CG2 4.07Å; L1008-I1021 HydrophobicContact CD1-CD1 3.87Å; L1008-I1021 HydrophobicContact CD2-CD1 4.35Å; L1008-I1021 HydrophobicContact CG-CD1 4.11Å
1009	T	85.3	Confident	89.2	Confident	32 Å²	32	26.2 Å²	26.2	20%	0.196	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-72.2	-13.2	175.2	45.2	0	0	0	0	114.9	Q644 K647 Y648 L1006 M1007 G1011	Q644-T1009 PolarHBondContact O-OG1 2.99Å; K647-T1009 HydrophobicContact CB-CG2 4.03Å; K647-T1009 WeakPolarHBondContact CD-O 3.11Å; K647-T1009 PolarHBondContact NZ-O 3.45Å; Y648-T1009 HydrophobicContact CD1-CG2 3.52Å; Y648-T1009 HydrophobicContact CD2-CG2 4.02Å; Y648-T1009 HydrophobicContact CE1-CG2 3.04Å; Y648-T1009 HydrophobicContact CE2-CG2 3.6Å; Y648-T1009 HydrophobicContact CG-CG2 3.98Å; Y648-T1009 WeakPolarHBondContact OH-CG2 3.42Å; L1006-T1009 PolarHBondContact O-OG1 2.75Å; M1007-T1009 PolarHBondContact O-N 3.03Å; T1009-G1011 PolarHBondContact O-N 3.32Å
1010	A	87.8	Confident	88.7	Confident	4 Å²	4	26.9 Å²	26.9	3%	0.033	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-65.6	-23.1	176	0	0	0	0	0	111.7	Q644 R811 M1007 L1008 L1012	Q644-A1010 HydrophobicContact CG-CB 4.16Å; Q644-A1010 VanDerWaalsContact OE1-CA 3.29Å; R811-A1010 PolarHBondContact NH1-O 2.98Å; M1007-A1010 HydrophobicContact CE-CB 3.73Å; M1007-A1010 WeakPolarHBondContact O-CB 3.16Å; M1007-A1010 PolarHBondContact O-N 3.21Å; L1008-A1010 VanDerWaalsContact C-N 3.25Å; L1008-A1010 PolarHBondContact O-N 2.96Å; A1010-L1012 HydrophobicContact CB-CD1 4.5Å; A1010-L1012 HydrophobicContact CB-CD2 4.46Å; A1010-L1012 HydrophobicContact CB-CG 3.97Å
1011	G	83.6	Confident	88.4	Confident	54 Å²	54	26.9 Å²	26.9	56%	0.557	16%	0.164	S	C	*	.			trans	65.8	40.9	-177.4	0	0	0	0	0	111.5	L1008 T1009	L1008-G1011 PolarHBondContact O-N 3Å; T1009-G1011 PolarHBondContact O-N 3.32Å
1012	L	86.8	Confident	88.1	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.005	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-72.7	140.2	175.5	-61.9	176.5	0	0	0	109.4	R811 Q812 L815 M1007 A1010 E1014 L1015	R811-L1012 HydrophobicContact CB-CD2 3.63Å; Q812-L1012 HydrophobicContact CB-CD2 4.46Å; L815-L1012 HydrophobicContact CD2-CD1 3.68Å; M1007-L1012 HydrophobicContact CE-CD1 4.19Å; A1010-L1012 HydrophobicContact CB-CD1 4.5Å; A1010-L1012 HydrophobicContact CB-CD2 4.46Å; A1010-L1012 HydrophobicContact CB-CG 3.97Å; L1012-E1014 PolarHBondContact O-N 3.03Å; L1012-L1015 HydrophobicContact CB-CB 4.2Å; L1012-L1015 HydrophobicContact CD1-CD2 4.5Å; L1012-L1015 CarbonylContact O-C 3.48Å; L1012-L1015 PolarHBondContact O-N 3.34Å; L1012-L1015 VanDerWaalsContact O-N 3.17Å
1013	P	78.4	Confident	87.9	Confident	94 Å²	94	31.6 Å²	31.6	61%	0.61	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-25.8	-176	-26.2	34.8	0	0	0	115.1	T1016	P1013-T1016 WeakPolarHBondContact O-CG2 3.48Å
1014	E	83.2	Confident	87.7	Confident	18 Å²	18	31.6 Å²	31.6	8%	0.084	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	6.6	-175	-62.2	-167.8	158.4	0	0	113.7	Q812 H940 I941 N944 L1012	Q812-E1014 PolarHBondContact NE2-OE2 2.92Å; H940-E1014 WeakPolarHBondContact CA-OE1 3.42Å; H940-E1014 WeakPolarHBondContact CA-OE2 3.46Å; H940-E1014 IonicContact CE1-OE1 3.39Å; H940-E1014 IonicContact CG-OE1 3.63Å; H940-E1014 IonicContact ND1-OE1 2.85Å; H940-E1014 PolarHBondContact ND1-OE1 2.73Å; I941-E1014 HydrophobicContact CG1-CB 4.35Å; I941-E1014 PolarHBondContact N-OE2 2.83Å; N944-E1014 HydrophobicContact CB-CB 4.48Å; N944-E1014 HydrophobicContact CB-CG 4.16Å; N944-E1014 PolarHBondContact ND2-O 3.48Å; L1012-E1014 PolarHBondContact O-N 3.03Å
1015	L	86.6	Confident	87.5	Confident	1 Å²	1	33 Å²	33	1%	0.005	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-137.5	79.8	175.4	-179.4	64.4	0	0	0	107.7	L815 L942 F1004 M1007 L1008 L1012 D1020 I1021	L815-L1015 HydrophobicContact CD2-CD2 4.28Å; L942-L1015 HydrophobicContact CD1-CD1 3.89Å; F1004-L1015 HydrophobicContact CD1-CD1 4.24Å; F1004-L1015 HydrophobicContact CD1-CD2 3.93Å; M1007-L1015 HydrophobicContact CB-CD2 3.49Å; M1007-L1015 VanDerWaalsContact CB-CD2 3.49Å; L1008-L1015 HydrophobicContact CD2-CD1 3.91Å; L1008-L1015 HydrophobicContact CD2-CG 3.97Å; L1012-L1015 HydrophobicContact CB-CB 4.2Å; L1012-L1015 HydrophobicContact CD1-CD2 4.5Å; L1012-L1015 CarbonylContact O-C 3.48Å; L1012-L1015 PolarHBondContact O-N 3.34Å; L1012-L1015 VanDerWaalsContact O-N 3.17Å; L1015-D1020 HydrophobicContact CD1-CB 4.22Å; L1015-I1021 HydrophobicContact CD1-CD1 4.26Å; L1015-I1021 HydrophobicContact CD1-CG1 3.65Å
1016	T	80.5	Confident	87.4	Confident	75 Å²	75	37.3 Å²	37.3	46%	0.46	21%	0.212	S	C	.	.			trans	-108	-25.5	-172.6	62.2	0	0	0	0	112.3	P1013 D1020	P1013-T1016 WeakPolarHBondContact O-CG2 3.48Å; T1016-D1020 PolarHBondContact N-OD2 2.73Å; T1016-D1020 PolarHBondContact OG1-OD2 3.46Å
1017	S	82.3	Confident	87.2	Confident	22 Å²	22	37.6 Å²	37.6	15%	0.154	21%	0.214	C	C	.	.	S	Bend	trans	-148.9	166.7	-175.1	70.6	0	0	0	0	112.1	K1019 D1020	S1017-K1019 PolarHBondContact O-N 3.28Å; S1017-K1019 WeakPolarHBondContact OG-CB 3.47Å; S1017-K1019 PolarHBondContact OG-N 2.88Å; S1017-D1020 PolarHBondContact N-OD2 3.02Å; S1017-D1020 WeakPolarHBondContact O-CB 3.49Å; S1017-D1020 PolarHBondContact O-N 3.09Å; S1017-D1020 VanDerWaalsContact O-N 3.07Å; S1017-D1020 PolarHBondContact OG-OD2 3.43Å
1018	V	85.2	Confident	87.2	Confident	62 Å²	62	37.5 Å²	37.5	38%	0.376	21%	0.213	S	C	.	.	H	α-helix	trans	-59.6	-27.1	174.7	179.3	0	0	0	0	112.2	L547 F612 L1008 D1020 I1021 Q1022	L547-V1018 HydrophobicContact CD2-CG1 3.59Å; F612-V1018 HydrophobicContact CZ-CG2 3.94Å; L1008-V1018 HydrophobicContact CD1-CG2 4.07Å; V1018-D1020 VanDerWaalsContact C-N 3.28Å; V1018-D1020 PolarHBondContact O-N 2.84Å; V1018-I1021 WeakPolarHBondContact O-CB 3.45Å; V1018-I1021 PolarHBondContact O-N 2.83Å; V1018-I1021 VanDerWaalsContact O-N 3.1Å; V1018-Q1022 PolarHBondContact O-N 3.2Å; V1018-Q1022 VanDerWaalsContact O-N 3.11Å
1019	K	83.3	Confident	87.4	Confident	133 Å²	133	36.7 Å²	36.7	58%	0.578	21%	0.21	S	C	*	.	H	α-helix	trans	-65.3	-29.8	176.4	179.6	-175.1	168.5	-167.5	0	112.8	E468 S1017 I1021 Q1022	E468-K1019 IonicContact OE1-NZ 3.23Å; E468-K1019 PolarHBondContact OE1-NZ 2.99Å; E468-K1019 IonicContact OE2-NZ 3.82Å; E468-K1019 PolarHBondContact OE2-NZ 2.76Å; S1017-K1019 PolarHBondContact O-N 3.28Å; S1017-K1019 WeakPolarHBondContact OG-CB 3.47Å; S1017-K1019 PolarHBondContact OG-N 2.88Å; K1019-I1021 VanDerWaalsContact C-N 3.28Å; K1019-Q1022 VanDerWaalsContact O-CB 3.27Å; K1019-Q1022 WeakPolarHBondContact O-CB 3.44Å; K1019-Q1022 PolarHBondContact O-N 2.89Å
1020	D	86.1	Confident	87.8	Confident	27 Å²	27	36.8 Å²	36.8	14%	0.144	21%	0.209	C	C	.	.	H	α-helix	trans	-66.7	-36.7	173.6	-59.4	-46.9	0	0	0	110.3	L942 L1015 T1016 S1017 V1018 Q1022 Y1023	L942-D1020 HydrophobicContact CD1-CB 4.22Å; L1015-D1020 HydrophobicContact CD1-CB 4.22Å; T1016-D1020 PolarHBondContact N-OD2 2.73Å; T1016-D1020 PolarHBondContact OG1-OD2 3.46Å; S1017-D1020 PolarHBondContact N-OD2 3.02Å; S1017-D1020 WeakPolarHBondContact O-CB 3.49Å; S1017-D1020 PolarHBondContact O-N 3.09Å; S1017-D1020 VanDerWaalsContact O-N 3.07Å; S1017-D1020 PolarHBondContact OG-OD2 3.43Å; V1018-D1020 VanDerWaalsContact C-N 3.28Å; V1018-D1020 PolarHBondContact O-N 2.84Å; D1020-Q1022 VanDerWaalsContact C-N 3.32Å; D1020-Q1022 PolarHBondContact O-N 3.5Å; D1020-Y1023 WeakPolarHBondContact O-CB 3.34Å; D1020-Y1023 PolarHBondContact O-N 3.06Å
1021	I	90.5	Very high	87.8	Confident	0 Å²	0	40 Å²	40	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-70.9	-29	178.3	-46.2	175.3	0	0	0	111.4	L547 I1001 F1004 A1005 L1008 L1015 V1018 K1019 Y1023 L1024	L547-I1021 HydrophobicContact CD1-CB 4.09Å; L547-I1021 HydrophobicContact CD1-CG2 3.88Å; I1001-I1021 HydrophobicContact CB-CG2 4.5Å; I1001-I1021 HydrophobicContact CG1-CG2 4.4Å; I1001-I1021 HydrophobicContact CG2-CG2 4.33Å; F1004-I1021 HydrophobicContact CB-CD1 4.4Å; F1004-I1021 HydrophobicContact CB-CG1 4.23Å; F1004-I1021 HydrophobicContact CB-CG2 4.01Å; A1005-I1021 VanDerWaalsContact CA-CD1 3.48Å; A1005-I1021 HydrophobicContact CB-CD1 3.96Å; L1008-I1021 HydrophobicContact CD1-CD1 3.87Å; L1008-I1021 HydrophobicContact CD2-CD1 4.35Å; L1008-I1021 HydrophobicContact CG-CD1 4.11Å; L1015-I1021 HydrophobicContact CD1-CD1 4.26Å; L1015-I1021 HydrophobicContact CD1-CG1 3.65Å; V1018-I1021 WeakPolarHBondContact O-CB 3.45Å; V1018-I1021 PolarHBondContact O-N 2.83Å; V1018-I1021 VanDerWaalsContact O-N 3.1Å; K1019-I1021 VanDerWaalsContact C-N 3.28Å; I1021-Y1023 PolarHBondContact O-N 3.15Å; I1021-L1024 HydrophobicContact CG2-CD1 4.19Å; I1021-L1024 WeakPolarHBondContact O-CB 3.27Å; I1021-L1024 PolarHBondContact O-N 3.04Å
1022	Q	88.8	Confident	88.1	Confident	60 Å²	60	42 Å²	42	28%	0.28	24%	0.237	S	C	.	.	H	α-helix	trans	-53.8	-27.3	175.3	-174.6	59.2	46.9	0	0	112.4	V1018 K1019 D1020 L1024 K1025 D1026	V1018-Q1022 PolarHBondContact O-N 3.2Å; V1018-Q1022 VanDerWaalsContact O-N 3.11Å; K1019-Q1022 VanDerWaalsContact O-CB 3.27Å; K1019-Q1022 WeakPolarHBondContact O-CB 3.44Å; K1019-Q1022 PolarHBondContact O-N 2.89Å; D1020-Q1022 VanDerWaalsContact C-N 3.32Å; D1020-Q1022 PolarHBondContact O-N 3.5Å; Q1022-L1024 VanDerWaalsContact C-N 3.25Å; Q1022-L1024 PolarHBondContact O-N 2.84Å; Q1022-K1025 VanDerWaalsContact NE2-CD 3.35Å; Q1022-K1025 WeakPolarHBondContact O-CB 3.43Å; Q1022-K1025 PolarHBondContact O-N 2.98Å; Q1022-K1025 VanDerWaalsContact O-N 3.15Å; Q1022-D1026 PolarHBondContact NE2-OD1 3.15Å; Q1022-D1026 PolarHBondContact O-N 2.92Å
1023	Y	91.4	Very high	88.4	Confident	48 Å²	48	44.7 Å²	44.7	19%	0.188	26%	0.255	C	S	.	.	H	α-helix	trans	-53.3	-41.8	172.5	-174.8	-85.6	0	0	0	112.7	V914 G916 L942 D1020 I1021 D1026 S1027	V914-Y1023 WeakPolarHBondContact O-CE1 3.49Å; G916-Y1023 VanDerWaalsContact CA-OH 3.25Å; G916-Y1023 WeakPolarHBondContact CA-OH 3.41Å; L942-Y1023 HydrophobicContact CD2-CD1 4.46Å; L942-Y1023 WeakPolarHBondContact O-CD2 3.47Å; D1020-Y1023 WeakPolarHBondContact O-CB 3.34Å; D1020-Y1023 PolarHBondContact O-N 3.06Å; I1021-Y1023 PolarHBondContact O-N 3.15Å; Y1023-D1026 PolarHBondContact O-N 3.34Å; Y1023-S1027 WeakPolarHBondContact O-CB 3.42Å; Y1023-S1027 PolarHBondContact O-N 2.89Å; Y1023-S1027 PolarHBondContact O-OG 2.86Å
1024	L	92.4	Very high	89.1	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.4	-39.1	-179.7	-66.7	169.7	0	0	0	111.8	V914 L915 L942 F1000 F1004 I1021 Q1022 D1026 S1027 L1028	V914-L1024 HydrophobicContact CG1-CD2 4.35Å; V914-L1024 WeakPolarHBondContact O-CD2 3.48Å; L915-L1024 HydrophobicContact CD2-CD2 4.09Å; L942-L1024 HydrophobicContact CD2-CD1 4.17Å; L942-L1024 HydrophobicContact CD2-CD2 3.99Å; L942-L1024 HydrophobicContact CD2-CG 3.81Å; F1000-L1024 HydrophobicContact CB-CD1 4.44Å; F1004-L1024 HydrophobicContact CB-CD1 4.15Å; F1004-L1024 HydrophobicContact CD2-CD1 3.33Å; F1004-L1024 HydrophobicContact CE2-CD1 3.76Å; F1004-L1024 HydrophobicContact CG-CD1 3.76Å; I1021-L1024 HydrophobicContact CG2-CD1 4.19Å; I1021-L1024 WeakPolarHBondContact O-CB 3.27Å; I1021-L1024 PolarHBondContact O-N 3.04Å; Q1022-L1024 VanDerWaalsContact C-N 3.25Å; Q1022-L1024 PolarHBondContact O-N 2.84Å; L1024-D1026 VanDerWaalsContact C-N 3.3Å; L1024-D1026 PolarHBondContact O-N 3.01Å; L1024-S1027 WeakPolarHBondContact CA-OG 3.4Å; L1024-S1027 PolarHBondContact O-N 2.85Å; L1024-S1027 PolarHBondContact O-OG 2.86Å; L1024-L1028 VanDerWaalsContact O-CB 3.3Å; L1024-L1028 WeakPolarHBondContact O-CB 3.44Å; L1024-L1028 WeakPolarHBondContact O-CG 3.35Å; L1024-L1028 PolarHBondContact O-N 3.47Å
1025	K	91.4	Very high	89.7	Confident	31 Å²	31	50.6 Å²	50.6	14%	0.135	28%	0.275	C	S	.	.	H	α-helix	trans	-62.8	-40.7	175.8	173.9	163.2	176.4	169.4	0	111.4	D545 S548 I1001 Q1022 A1029 L1030	D545-K1025 VanDerWaalsContact CG-NZ 3.34Å; D545-K1025 WeakPolarHBondContact OD1-CD 3.45Å; D545-K1025 IonicContact OD1-NZ 3.95Å; D545-K1025 PolarHBondContact OD1-NZ 3.29Å; D545-K1025 VanDerWaalsContact OD1-NZ 3.12Å; D545-K1025 WeakPolarHBondContact OD2-CE 3.28Å; D545-K1025 IonicContact OD2-NZ 3.4Å; D545-K1025 PolarHBondContact OD2-NZ 3.46Å; S548-K1025 PolarHBondContact OG-NZ 3.2Å; I1001-K1025 HydrophobicContact CD1-CB 4.43Å; Q1022-K1025 VanDerWaalsContact NE2-CD 3.35Å; Q1022-K1025 WeakPolarHBondContact O-CB 3.43Å; Q1022-K1025 PolarHBondContact O-N 2.98Å; Q1022-K1025 VanDerWaalsContact O-N 3.15Å; K1025-A1029 WeakPolarHBondContact O-CA 3.18Å; K1025-A1029 PolarHBondContact O-N 3.45Å; K1025-L1030 HydrophobicContact CG-CB 4.37Å; K1025-L1030 PolarHBondContact O-N 2.97Å; K1025-L1030 VanDerWaalsContact O-N 3.13Å
1026	D	91.4	Very high	90.1	Very high	97 Å²	97	55.8 Å²	55.8	52%	0.519	30%	0.299	S	S	.	.	H	α-helix	trans	-73.2	-40.5	179.2	-64.9	-8.1	0	0	0	112	Q1022 Y1023 L1024 A1029	Q1022-D1026 PolarHBondContact NE2-OD1 3.15Å; Q1022-D1026 PolarHBondContact O-N 2.92Å; Y1023-D1026 PolarHBondContact O-N 3.34Å; L1024-D1026 VanDerWaalsContact C-N 3.3Å; L1024-D1026 PolarHBondContact O-N 3.01Å; D1026-A1029 PolarHBondContact O-N 2.79Å
1027	S	92.4	Very high	90.8	Very high	5 Å²	5	52.2 Å²	52.2	4%	0.035	28%	0.277	C	S	.	.	H	α-helix	trans	-70.3	-39	-179.8	72	0	0	0	0	112.3	Y913 V914 Y990 Y1023 L1024 A1029	Y913-S1027 PolarHBondContact OH-O 2.82Å; V914-S1027 PolarHBondContact O-OG 2.77Å; Y990-S1027 WeakPolarHBondContact CE2-O 3.02Å; Y990-S1027 PolarHBondContact OH-O 3.21Å; Y1023-S1027 WeakPolarHBondContact O-CB 3.42Å; Y1023-S1027 PolarHBondContact O-N 2.89Å; Y1023-S1027 PolarHBondContact O-OG 2.86Å; L1024-S1027 WeakPolarHBondContact CA-OG 3.4Å; L1024-S1027 PolarHBondContact O-N 2.85Å; L1024-S1027 PolarHBondContact O-OG 2.86Å; S1027-A1029 VanDerWaalsContact C-N 3.31Å
1028	L	94.9	Very high	91.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-5.5	173.8	-66	172.4	0	0	0	113.5	V914 Y990 L993 R994 L1024 L1030	V914-L1028 HydrophobicContact CB-CD2 4.44Å; V914-L1028 HydrophobicContact CG1-CD1 4.32Å; V914-L1028 HydrophobicContact CG1-CD2 3.79Å; V914-L1028 HydrophobicContact CG1-CG 4.01Å; V914-L1028 HydrophobicContact CG2-CD2 3.74Å; Y990-L1028 HydrophobicContact CE2-CD2 4.21Å; Y990-L1028 VanDerWaalsContact OH-C 3.27Å; Y990-L1028 PolarHBondContact OH-O 2.84Å; L993-L1028 HydrophobicContact CB-CD2 4.15Å; R994-L1028 HydrophobicContact CB-CD2 4.34Å; R994-L1028 VanDerWaalsContact CD-O 3.25Å; R994-L1028 WeakPolarHBondContact CD-O 3.35Å; R994-L1028 HydrophobicContact CG-CB 4.5Å; R994-L1028 WeakPolarHBondContact CG-O 3.49Å; R994-L1028 PolarHBondContact NE-O 2.85Å; L1024-L1028 VanDerWaalsContact O-CB 3.3Å; L1024-L1028 WeakPolarHBondContact O-CB 3.44Å; L1024-L1028 WeakPolarHBondContact O-CG 3.35Å; L1024-L1028 PolarHBondContact O-N 3.47Å; L1028-L1030 VanDerWaalsContact C-N 3.28Å; L1028-L1030 HydrophobicContact CB-CD2 3.78Å; L1028-L1030 HydrophobicContact CB-CG 3.93Å; L1028-L1030 HydrophobicContact CD1-CD2 4.49Å; L1028-L1030 PolarHBondContact O-N 2.91Å
1029	A	94.1	Very high	92	Very high	7 Å²	7	57.4 Å²	57.4	6%	0.058	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.8	47.3	-178.7	0	0	0	0	0	112.9	K1025 D1026 S1027 G1031 K1032 A1037	K1025-A1029 WeakPolarHBondContact O-CA 3.18Å; K1025-A1029 PolarHBondContact O-N 3.45Å; D1026-A1029 PolarHBondContact O-N 2.79Å; S1027-A1029 VanDerWaalsContact C-N 3.31Å; A1029-G1031 PolarHBondContact O-N 2.96Å; A1029-K1032 HydrophobicContact CB-CD 4.35Å; A1029-K1032 PolarHBondContact O-N 2.8Å; A1029-A1037 HydrophobicContact CB-CB 3.88Å
1030	L	92	Very high	92.5	Very high	33 Å²	33	53.2 Å²	53.2	17%	0.173	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-23.6	-174	-59.8	178.6	0	0	0	113.3	D545 R994 I1001 K1025 L1028 K1032	D545-L1030 HydrophobicContact CB-CD1 4.25Å; R994-L1030 HydrophobicContact CG-CD2 3.96Å; I1001-L1030 HydrophobicContact CD1-CD1 3.48Å; I1001-L1030 VanDerWaalsContact CD1-CD1 3.48Å; K1025-L1030 HydrophobicContact CG-CB 4.37Å; K1025-L1030 PolarHBondContact O-N 2.97Å; K1025-L1030 VanDerWaalsContact O-N 3.13Å; L1028-L1030 VanDerWaalsContact C-N 3.28Å; L1028-L1030 HydrophobicContact CB-CD2 3.78Å; L1028-L1030 HydrophobicContact CB-CG 3.93Å; L1028-L1030 HydrophobicContact CD1-CD2 4.49Å; L1028-L1030 PolarHBondContact O-N 2.91Å; L1030-K1032 VanDerWaalsContact C-N 3.26Å; L1030-K1032 PolarHBondContact O-N 3Å
1031	G	88.1	Confident	92.9	Very high	72 Å²	72	52 Å²	52	74%	0.742	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	1.3	174.7	0	0	0	0	0	115.3	A1029	A1029-G1031 PolarHBondContact O-N 2.96Å
1032	K	91.1	Very high	93.1	Very high	97 Å²	97	55.5 Å²	55.5	42%	0.422	28%	0.284	S	S	.	.	S	Bend	trans	-114.6	163	178.9	-63.6	-173.3	179.8	178.3	0	110.9	R994 A1029 L1030 E1036	R994-K1032 PolarHBondContact NH2-O 2.9Å; A1029-K1032 HydrophobicContact CB-CD 4.35Å; A1029-K1032 PolarHBondContact O-N 2.8Å; L1030-K1032 VanDerWaalsContact C-N 3.26Å; L1030-K1032 PolarHBondContact O-N 3Å; K1032-E1036 HydrophobicContact CB-CB 4.07Å; K1032-E1036 HydrophobicContact CD-CB 4.34Å
1033	S	92.3	Very high	93.2	Very high	56 Å²	56	57.8 Å²	57.8	39%	0.392	30%	0.295	S	S	.	.			trans	-65.2	161.7	170	64.3	0	0	0	0	112.1	E1035 E1036 A1037	S1033-E1035 VanDerWaalsContact C-N 3.29Å; S1033-E1035 PolarHBondContact O-N 3Å; S1033-E1036 PolarHBondContact N-OE2 2.69Å; S1033-E1036 PolarHBondContact O-N 2.93Å; S1033-E1036 WeakPolarHBondContact OG-CB 3.49Å; S1033-E1036 VanDerWaalsContact OG-CD 3.22Å; S1033-E1036 WeakPolarHBondContact OG-CG 3.41Å; S1033-E1036 PolarHBondContact OG-N 2.88Å; S1033-E1036 PolarHBondContact OG-OE2 3.42Å; S1033-A1037 WeakPolarHBondContact O-CB 3.18Å; S1033-A1037 PolarHBondContact O-N 2.9Å
1034	E	93.5	Very high	93.2	Very high	71 Å²	71	58.1 Å²	58.1	33%	0.332	30%	0.297	S	S	.	.	H	α-helix	trans	-58.9	-40.6	179.4	-168.2	167	115.2	0	0	111.9	L991 R994 R995 A1037 L1038	L991-E1034 HydrophobicContact CD2-CG 3.56Å; R994-E1034 IonicContact NH1-OE2 3.66Å; R995-E1034 IonicContact CZ-OE1 3.12Å; R995-E1034 IonicContact CZ-OE2 2.74Å; R995-E1034 IonicContact NE-OE1 2.8Å; R995-E1034 IonicContact NE-OE2 3.16Å; R995-E1034 PolarHBondContact NE-OE2 3.31Å; R995-E1034 VanDerWaalsContact NE-OE2 3.16Å; R995-E1034 IonicContact NH2-OE1 2.76Å; R995-E1034 PolarHBondContact NH2-OE1 3.48Å; R995-E1034 IonicContact NH2-OE2 3.24Å; E1034-A1037 PolarHBondContact O-N 3.37Å; E1034-L1038 WeakPolarHBondContact O-CB 3.49Å; E1034-L1038 PolarHBondContact O-N 3.35Å
1035	E	95	Very high	93.1	Very high	166 Å²	166	58.2 Å²	58.2	78%	0.776	30%	0.298	S	S	*	.	H	α-helix	trans	-66.2	-42.9	178.5	-64	-177.4	-178.5	0	0	112.7	S1033 L1038 K1039	S1033-E1035 VanDerWaalsContact C-N 3.29Å; S1033-E1035 PolarHBondContact O-N 3Å; E1035-L1038 PolarHBondContact O-N 3.09Å; E1035-K1039 WeakPolarHBondContact O-CB 3.41Å; E1035-K1039 PolarHBondContact O-N 3.42Å
1036	E	96.1	Very high	93.1	Very high	109 Å²	109	59.2 Å²	59.2	51%	0.509	31%	0.305	S	S	.	.	H	α-helix	trans	-68.5	-39.9	177.8	-71.7	169.4	144	0	0	112	K1032 S1033 K1039 Q1040	K1032-E1036 HydrophobicContact CB-CB 4.07Å; K1032-E1036 HydrophobicContact CD-CB 4.34Å; S1033-E1036 PolarHBondContact N-OE2 2.69Å; S1033-E1036 PolarHBondContact O-N 2.93Å; S1033-E1036 WeakPolarHBondContact OG-CB 3.49Å; S1033-E1036 VanDerWaalsContact OG-CD 3.22Å; S1033-E1036 WeakPolarHBondContact OG-CG 3.41Å; S1033-E1036 PolarHBondContact OG-N 2.88Å; S1033-E1036 PolarHBondContact OG-OE2 3.42Å; E1036-K1039 PolarHBondContact O-N 3.08Å; E1036-Q1040 PolarHBondContact O-N 2.83Å
1037	A	95.1	Very high	92.9	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-62.1	-45.6	174.5	0	0	0	0	0	110.8	Y990 A1029 S1033 E1034 K1039 Q1040 F1041	Y990-A1037 HydrophobicContact CE1-CB 4.36Å; A1029-A1037 HydrophobicContact CB-CB 3.88Å; S1033-A1037 WeakPolarHBondContact O-CB 3.18Å; S1033-A1037 PolarHBondContact O-N 2.9Å; E1034-A1037 PolarHBondContact O-N 3.37Å; A1037-K1039 PolarHBondContact O-N 2.88Å; A1037-Q1040 PolarHBondContact O-N 2.95Å; A1037-F1041 WeakPolarHBondContact O-CB 3.43Å; A1037-F1041 PolarHBondContact O-N 2.78Å
1038	L	96.6	Very high	92.5	Very high	34 Å²	34	56.7 Å²	56.7	18%	0.178	29%	0.289	C	S	.	.	H	α-helix	trans	-61.7	-42.4	175.6	-177.5	61.7	0	0	0	111.9	E987 L991 E1034 E1035 Q1040 F1041 K1042	E987-L1038 HydrophobicContact CB-CD1 3.91Å; E987-L1038 HydrophobicContact CG-CD1 3.94Å; L991-L1038 HydrophobicContact CD1-CD1 4.29Å; L991-L1038 HydrophobicContact CD1-CD2 4.29Å; L991-L1038 HydrophobicContact CD2-CB 4.27Å; L991-L1038 HydrophobicContact CD2-CD1 4.47Å; L991-L1038 HydrophobicContact CG-CD1 4.32Å; E1034-L1038 WeakPolarHBondContact O-CB 3.49Å; E1034-L1038 PolarHBondContact O-N 3.35Å; E1035-L1038 PolarHBondContact O-N 3.09Å; L1038-Q1040 VanDerWaalsContact C-N 3.33Å; L1038-Q1040 PolarHBondContact O-N 2.86Å; L1038-F1041 PolarHBondContact O-N 2.76Å; L1038-K1042 HydrophobicContact CG-CD 4.3Å; L1038-K1042 WeakPolarHBondContact O-CB 3.49Å; L1038-K1042 WeakPolarHBondContact O-CG 3.25Å; L1038-K1042 PolarHBondContact O-N 2.86Å
1039	K	96	Very high	92.1	Very high	160 Å²	160	59.2 Å²	59.2	70%	0.696	30%	0.303	S	S	*	.	H	α-helix	trans	-61.1	-42.4	176.5	-173.6	179.6	-179.5	179.9	0	111.8	E1035 E1036 A1037 K1042 Q1043	E1035-K1039 WeakPolarHBondContact O-CB 3.41Å; E1035-K1039 PolarHBondContact O-N 3.42Å; E1036-K1039 PolarHBondContact O-N 3.08Å; A1037-K1039 PolarHBondContact O-N 2.88Å; K1039-K1042 PolarHBondContact O-N 2.77Å; K1039-Q1043 PolarHBondContact O-N 3.49Å; K1039-Q1043 VanDerWaalsContact O-N 3.09Å
1040	Q	93.6	Very high	91.6	Very high	44 Å²	44	66.8 Å²	66.8	21%	0.206	33%	0.33	C	S	.	.	H	α-helix	trans	-63.6	-44.4	174.5	174.9	179.9	-22.7	0	0	111.6	E1036 A1037 L1038 Q1043 K1044	E1036-Q1040 PolarHBondContact O-N 2.83Å; A1037-Q1040 PolarHBondContact O-N 2.95Å; L1038-Q1040 VanDerWaalsContact C-N 3.33Å; L1038-Q1040 PolarHBondContact O-N 2.86Å; Q1040-Q1043 WeakPolarHBondContact O-CB 3.18Å; Q1040-Q1043 PolarHBondContact O-N 2.8Å; Q1040-K1044 WeakPolarHBondContact O-CG 3.13Å; Q1040-K1044 PolarHBondContact O-N 3.36Å
1041	F	94.6	Very high	91.1	Very high	2 Å²	2	69 Å²	69	1%	0.009	34%	0.339	C	S	.	.	H	α-helix	trans	-62.5	-44	177.5	180	-102.4	0	0	0	111.7	V910 Y913 F958 C986 E987 Y990 A1037 L1038 Q1043 K1044 F1045	V910-F1041 HydrophobicContact CG2-CZ 4.04Å; Y913-F1041 HydrophobicContact CD1-CD2 4.14Å; Y913-F1041 AromaticContact CD1-CE2 3.93Å; Y913-F1041 HydrophobicContact CD1-CE2 3.93Å; Y913-F1041 AromaticContact CE1-CD2 3.88Å; Y913-F1041 HydrophobicContact CE1-CD2 3.88Å; Y913-F1041 HydrophobicContact CE1-CE2 4.16Å; F958-F1041 HydrophobicContact CD2-CE2 4.2Å; F958-F1041 HydrophobicContact CD2-CZ 4.46Å; F958-F1041 HydrophobicContact CE2-CE2 4.05Å; F958-F1041 AromaticContact CE2-CZ 3.88Å; F958-F1041 HydrophobicContact CE2-CZ 3.88Å; C986-F1041 HydrophobicContact CB-CE1 4.17Å; C986-F1041 HydrophobicContact CB-CZ 4.21Å; E987-F1041 HydrophobicContact CG-CD1 4.38Å; E987-F1041 HydrophobicContact CG-CE1 4.34Å; Y990-F1041 HydrophobicContact CD1-CB 3.86Å; Y990-F1041 HydrophobicContact CD1-CD1 4.24Å; Y990-F1041 HydrophobicContact CD1-CD2 4.16Å; Y990-F1041 AromaticContact CD1-CG 3.82Å; Y990-F1041 HydrophobicContact CD1-CG 3.82Å; Y990-F1041 AromaticContact CD2-CD2 3.69Å; Y990-F1041 HydrophobicContact CD2-CD2 3.69Å; Y990-F1041 AromaticContact CD2-CE2 3.98Å; Y990-F1041 HydrophobicContact CD2-CE2 3.98Å; Y990-F1041 HydrophobicContact CD2-CG 4.2Å; Y990-F1041 HydrophobicContact CE1-CB 3.75Å; Y990-F1041 HydrophobicContact CE1-CD2 4.44Å; Y990-F1041 HydrophobicContact CE1-CG 4.15Å; Y990-F1041 AromaticContact CE2-CD2 3.99Å; Y990-F1041 HydrophobicContact CE2-CD2 3.99Å; Y990-F1041 HydrophobicContact CG-CB 4.34Å; Y990-F1041 HydrophobicContact CG-CD1 4.2Å; Y990-F1041 AromaticContact CG-CD2 3.77Å; Y990-F1041 HydrophobicContact CG-CD2 3.77Å; Y990-F1041 HydrophobicContact CG-CE1 4.5Å; Y990-F1041 HydrophobicContact CG-CE2 4.1Å; Y990-F1041 AromaticContact CG-CG 3.83Å; Y990-F1041 HydrophobicContact CG-CG 3.83Å; Y990-F1041 HydrophobicContact CG-CZ 4.46Å; A1037-F1041 WeakPolarHBondContact O-CB 3.43Å; A1037-F1041 PolarHBondContact O-N 2.78Å; L1038-F1041 PolarHBondContact O-N 2.76Å; F1041-Q1043 VanDerWaalsContact C-N 3.31Å; F1041-Q1043 PolarHBondContact O-N 2.86Å; F1041-K1044 WeakPolarHBondContact O-CB 3.17Å; F1041-K1044 PolarHBondContact O-N 3.33Å; F1041-F1045 PolarHBondContact O-N 3.32Å
1042	K	94.2	Very high	90.6	Very high	74 Å²	74	66.1 Å²	66.1	32%	0.322	31%	0.308	S	S	.	.	H	α-helix	trans	-55	-45.1	173.3	-79.5	176.8	169.3	175.5	0	112.2	E987 L1038 K1039 K1044 F1045 D1046	E987-K1042 WeakPolarHBondContact OE1-CE 3.47Å; E987-K1042 IonicContact OE1-NZ 3.86Å; E987-K1042 WeakPolarHBondContact OE2-CE 3.17Å; E987-K1042 IonicContact OE2-NZ 3.79Å; E987-K1042 PolarHBondContact OE2-NZ 3.4Å; L1038-K1042 HydrophobicContact CG-CD 4.3Å; L1038-K1042 WeakPolarHBondContact O-CB 3.49Å; L1038-K1042 WeakPolarHBondContact O-CG 3.25Å; L1038-K1042 PolarHBondContact O-N 2.86Å; K1039-K1042 PolarHBondContact O-N 2.77Å; K1042-K1044 PolarHBondContact O-N 3.42Å; K1042-F1045 WeakPolarHBondContact O-CB 3.15Å; K1042-F1045 PolarHBondContact O-N 2.83Å; K1042-D1046 PolarHBondContact O-N 3.25Å
1043	Q	92.1	Very high	89.8	Confident	107 Å²	107	66.8 Å²	66.8	50%	0.5	31%	0.308	S	S	.	.	H	α-helix	trans	-61.4	-44.1	175.8	-177.7	-173.9	-11.2	0	0	111.7	K1039 Q1040 F1041 F1045 D1046 E1047	K1039-Q1043 PolarHBondContact O-N 3.49Å; K1039-Q1043 VanDerWaalsContact O-N 3.09Å; Q1040-Q1043 WeakPolarHBondContact O-CB 3.18Å; Q1040-Q1043 PolarHBondContact O-N 2.8Å; F1041-Q1043 VanDerWaalsContact C-N 3.31Å; F1041-Q1043 PolarHBondContact O-N 2.86Å; Q1043-F1045 VanDerWaalsContact C-N 3.34Å; Q1043-D1046 PolarHBondContact O-N 3.29Å; Q1043-E1047 WeakPolarHBondContact CG-OE1 3.4Å; Q1043-E1047 PolarHBondContact NE2-OE1 2.99Å; Q1043-E1047 WeakPolarHBondContact O-CG 3.4Å; Q1043-E1047 PolarHBondContact O-N 3.18Å
1044	K	90.5	Very high	88.9	Confident	56 Å²	56	66.5 Å²	66.5	24%	0.243	30%	0.304	C	S	.	.	H	α-helix	trans	-63.7	-39.4	177.7	-72.6	-74.7	161.6	-147.7	0	112.3	P957 Q1040 F1041 K1042 E1047 A1048	P957-K1044 HydrophobicContact CG-CD 4.44Å; Q1040-K1044 WeakPolarHBondContact O-CG 3.13Å; Q1040-K1044 PolarHBondContact O-N 3.36Å; F1041-K1044 WeakPolarHBondContact O-CB 3.17Å; F1041-K1044 PolarHBondContact O-N 3.33Å; K1042-K1044 PolarHBondContact O-N 3.42Å; K1044-E1047 IonicContact NZ-OE2 3.83Å; K1044-E1047 PolarHBondContact NZ-OE2 3.28Å; K1044-E1047 PolarHBondContact O-N 3.35Å; K1044-A1048 PolarHBondContact O-N 3.39Å
1045	F	90.9	Very high	87.9	Confident	2 Å²	2	64.3 Å²	64.3	1%	0.009	30%	0.295	C	S	.	.	H	α-helix	trans	-61.4	-47.1	173.2	-175.5	-81.6	0	0	0	111.4	F958 L960 F979 F982 R983 C986 F1041 K1042 Q1043 E1047 A1048 L1049	F958-F1045 AromaticContact CE1-CD2 3.67Å; F958-F1045 HydrophobicContact CE1-CD2 3.67Å; F958-F1045 HydrophobicContact CE1-CE2 4.01Å; F958-F1045 HydrophobicContact CE2-CD2 4.34Å; F958-F1045 AromaticContact CZ-CD2 3.52Å; F958-F1045 HydrophobicContact CZ-CD2 3.52Å; F958-F1045 AromaticContact CZ-CE2 3.88Å; F958-F1045 HydrophobicContact CZ-CE2 3.88Å; L960-F1045 HydrophobicContact CD2-CE2 4.49Å; L960-F1045 HydrophobicContact CD2-CZ 4.22Å; F979-F1045 HydrophobicContact CE1-CE1 4.17Å; F979-F1045 HydrophobicContact CE1-CZ 4.45Å; F979-F1045 AromaticContact CZ-CE1 3.9Å; F979-F1045 HydrophobicContact CZ-CE1 3.9Å; F979-F1045 AromaticContact CZ-CZ 3.92Å; F979-F1045 HydrophobicContact CZ-CZ 3.92Å; F982-F1045 HydrophobicContact CD1-CE2 4.19Å; F982-F1045 AromaticContact CD1-CZ 3.9Å; F982-F1045 HydrophobicContact CD1-CZ 3.9Å; F982-F1045 AromaticContact CE1-CE2 3.62Å; F982-F1045 HydrophobicContact CE1-CE2 3.62Å; F982-F1045 AromaticContact CE1-CZ 3.63Å; F982-F1045 HydrophobicContact CE1-CZ 3.63Å; F982-F1045 HydrophobicContact CZ-CE2 4.43Å; R983-F1045 HydrophobicContact CB-CE1 4.42Å; R983-F1045 HydrophobicContact CB-CZ 4.15Å; R983-F1045 HydrophobicContact CG-CD1 4.38Å; R983-F1045 HydrophobicContact CG-CE1 3.98Å; R983-F1045 HydrophobicContact CG-CZ 4.06Å; C986-F1045 HydrophobicContact CB-CE2 4.34Å; F1041-F1045 PolarHBondContact O-N 3.32Å; K1042-F1045 WeakPolarHBondContact O-CB 3.15Å; K1042-F1045 PolarHBondContact O-N 2.83Å; Q1043-F1045 VanDerWaalsContact C-N 3.34Å; F1045-E1047 PolarHBondContact O-N 3.36Å; F1045-A1048 PolarHBondContact O-N 2.91Å; F1045-L1049 PolarHBondContact O-N 3.07Å
1046	D	89.8	Confident	86.9	Confident	52 Å²	52	57 Å²	57	28%	0.278	26%	0.261	S	S	.	.	H	α-helix	trans	-65.7	-36.1	178.1	-72.4	-36	0	0	0	112.8	R983 K1042 Q1043 L1049 R1050	R983-D1046 IonicContact CZ-OD1 3.61Å; R983-D1046 IonicContact NH1-OD1 3.63Å; R983-D1046 PolarHBondContact NH1-OD1 2.94Å; R983-D1046 IonicContact NH2-OD1 2.72Å; R983-D1046 PolarHBondContact NH2-OD1 2.87Å; R983-D1046 IonicContact NH2-OD2 3.48Å; R983-D1046 PolarHBondContact NH2-OD2 3.44Å; R983-D1046 VanDerWaalsContact NH2-OD2 3.07Å; K1042-D1046 PolarHBondContact O-N 3.25Å; Q1043-D1046 PolarHBondContact O-N 3.29Å; D1046-L1049 PolarHBondContact O-N 3.24Å; D1046-R1050 WeakPolarHBondContact O-CG 3.46Å; D1046-R1050 PolarHBondContact O-N 2.91Å
1047	E	87.4	Confident	85.7	Confident	46 Å²	46	54.4 Å²	54.4	22%	0.215	25%	0.252	C	S	.	.	H	α-helix	trans	-59.9	-46.8	171.6	-76.4	169.4	-169.3	0	0	111.1	Q1043 K1044 F1045 L1049 R1050 E1051	Q1043-E1047 WeakPolarHBondContact CG-OE1 3.4Å; Q1043-E1047 PolarHBondContact NE2-OE1 2.99Å; Q1043-E1047 WeakPolarHBondContact O-CG 3.4Å; Q1043-E1047 PolarHBondContact O-N 3.18Å; K1044-E1047 IonicContact NZ-OE2 3.83Å; K1044-E1047 PolarHBondContact NZ-OE2 3.28Å; K1044-E1047 PolarHBondContact O-N 3.35Å; F1045-E1047 PolarHBondContact O-N 3.36Å; E1047-L1049 VanDerWaalsContact C-N 3.34Å; E1047-L1049 PolarHBondContact O-N 2.83Å; E1047-R1050 PolarHBondContact O-N 2.68Å; E1047-E1051 PolarHBondContact O-N 2.83Å
1048	A	85.5	Confident	84.5	Confident	2 Å²	2	58.3 Å²	58.3	2%	0.017	27%	0.273	C	S	.	.	H	α-helix	trans	-65	-37.3	177.4	0	0	0	0	0	112.7	V956 F958 L960 K1044 F1045 E1051 S1052	V956-A1048 HydrophobicContact CG1-CB 4.07Å; F958-A1048 HydrophobicContact CB-CB 4.08Å; F958-A1048 HydrophobicContact CD1-CB 3.53Å; F958-A1048 HydrophobicContact CE1-CB 4.45Å; F958-A1048 HydrophobicContact CG-CB 4.25Å; F958-A1048 WeakPolarHBondContact O-CB 3.34Å; L960-A1048 HydrophobicContact CB-CB 4.41Å; K1044-A1048 PolarHBondContact O-N 3.39Å; F1045-A1048 PolarHBondContact O-N 2.91Å; A1048-E1051 CarbonylContact O-C 3.45Å; A1048-E1051 PolarHBondContact O-N 2.89Å; A1048-S1052 PolarHBondContact O-N 2.9Å
1049	L	85.1	Confident	83.3	Confident	54 Å²	54	57.5 Å²	57.5	28%	0.283	27%	0.268	S	S	.	.	H	α-helix	trans	-62.4	-42.6	175.2	-175.8	59.8	0	0	0	111.6	L960 I965 F979 F1045 D1046 E1047 E1051 S1052	L960-L1049 HydrophobicContact CD2-CD1 4.24Å; I965-L1049 HydrophobicContact CD1-CD1 3.42Å; I965-L1049 VanDerWaalsContact CD1-CD1 3.42Å; I965-L1049 HydrophobicContact CG1-CD1 4.39Å; F979-L1049 HydrophobicContact CE1-CD2 3.98Å; F979-L1049 HydrophobicContact CE2-CD1 4.43Å; F979-L1049 HydrophobicContact CZ-CD1 3.79Å; F979-L1049 HydrophobicContact CZ-CD2 3.98Å; F1045-L1049 PolarHBondContact O-N 3.07Å; D1046-L1049 PolarHBondContact O-N 3.24Å; E1047-L1049 VanDerWaalsContact C-N 3.34Å; E1047-L1049 PolarHBondContact O-N 2.83Å; L1049-E1051 VanDerWaalsContact C-N 3.34Å; L1049-S1052 VanDerWaalsContact O-CB 3.31Å; L1049-S1052 WeakPolarHBondContact O-CB 3.43Å; L1049-S1052 PolarHBondContact O-N 3.26Å; L1049-S1052 PolarHBondContact O-OG 2.97Å
1050	R	84.6	Confident	81.8	Confident	165 Å²	165	51.9 Å²	51.9	62%	0.623	24%	0.244	S	C	*	.	H	α-helix	trans	-63.3	-38	174.7	-72.4	-171.1	-64.7	-97.2	4.8	112.6	D1046 E1047	D1046-R1050 WeakPolarHBondContact O-CG 3.46Å; D1046-R1050 PolarHBondContact O-N 2.91Å; E1047-R1050 PolarHBondContact O-N 2.68Å
1051	E	81.3	Confident	80.3	Confident	80 Å²	80	52.6 Å²	52.6	37%	0.374	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	6.5	-179.4	-65.5	-64	157.9	0	0	114.1	V956 E1047 A1048 L1049 W1053 T1054 T1055	V956-E1051 HydrophobicContact CG2-CB 4.1Å; V956-E1051 HydrophobicContact CG2-CG 4.06Å; E1047-E1051 PolarHBondContact O-N 2.83Å; A1048-E1051 CarbonylContact O-C 3.45Å; A1048-E1051 PolarHBondContact O-N 2.89Å; L1049-E1051 VanDerWaalsContact C-N 3.34Å; E1051-W1053 VanDerWaalsContact C-N 3.29Å; E1051-W1053 PolarHBondContact O-N 2.98Å; E1051-T1054 WeakPolarHBondContact O-CB 3.47Å; E1051-T1054 PolarHBondContact O-N 2.86Å; E1051-T1054 VanDerWaalsContact O-N 3.12Å; E1051-T1054 VanDerWaalsContact OE2-CB 3.25Å; E1051-T1054 WeakPolarHBondContact OE2-CB 3.34Å; E1051-T1054 PolarHBondContact OE2-OG1 2.8Å; E1051-T1055 PolarHBondContact O-N 3.49Å; E1051-T1055 PolarHBondContact O-OG1 2.78Å
1052	S	78.1	Confident	78.8	Confident	11 Å²	11	54.6 Å²	54.6	8%	0.077	27%	0.267	C	S	.	.	H	α-helix	trans	-60.4	-35.9	-174.5	60.1	0	0	0	0	113.2	L960 A1048 L1049 K1056	L960-S1052 WeakPolarHBondContact O-CA 3.48Å; L960-S1052 VanDerWaalsContact O-CB 3.3Å; L960-S1052 WeakPolarHBondContact O-CB 3.03Å; A1048-S1052 PolarHBondContact O-N 2.9Å; L1049-S1052 VanDerWaalsContact O-CB 3.31Å; L1049-S1052 WeakPolarHBondContact O-CB 3.43Å; L1049-S1052 PolarHBondContact O-N 3.26Å; L1049-S1052 PolarHBondContact O-OG 2.97Å; S1052-K1056 PolarHBondContact O-N 2.95Å
1053	W	72.8	Confident	77.1	Confident	112 Å²	112	51.6 Å²	51.6	42%	0.424	26%	0.255	S	S	.	.	H	α-helix	trans	-71.3	-44.7	173.7	-176.8	-106.6	0	0	0	112.2	F876 K878 Y962 E1051 T1055 K1056 V1057	F876-W1053 HydrophobicContact CD1-CH2 4.45Å; K878-W1053 VanDerWaalsContact CE-CZ3 3.44Å; Y962-W1053 HydrophobicContact CD2-CE3 4.47Å; Y962-W1053 HydrophobicContact CG-CE3 4.36Å; E1051-W1053 VanDerWaalsContact C-N 3.29Å; E1051-W1053 PolarHBondContact O-N 2.98Å; W1053-T1055 PolarHBondContact O-N 3.4Å; W1053-K1056 HydrophobicContact CE3-CD 4.41Å; W1053-K1056 HydrophobicContact CZ3-CD 4.12Å; W1053-K1056 WeakPolarHBondContact O-CB 3.41Å; W1053-K1056 PolarHBondContact O-N 2.74Å; W1053-V1057 WeakPolarHBondContact O-CG2 3.33Å; W1053-V1057 PolarHBondContact O-N 3.32Å
1054	T	73.3	Confident	75.5	Confident	50 Å²	50	48.9 Å²	48.9	31%	0.307	25%	0.246	S	C	.	.	H	α-helix	trans	-57.8	-40	175.9	-44.4	0	0	0	0	111.3	E1051 V1057 N1058	E1051-T1054 WeakPolarHBondContact O-CB 3.47Å; E1051-T1054 PolarHBondContact O-N 2.86Å; E1051-T1054 VanDerWaalsContact O-N 3.12Å; E1051-T1054 VanDerWaalsContact OE2-CB 3.25Å; E1051-T1054 WeakPolarHBondContact OE2-CB 3.34Å; E1051-T1054 PolarHBondContact OE2-OG1 2.8Å; T1054-V1057 PolarHBondContact O-N 3.5Å; T1054-N1058 PolarHBondContact O-N 2.88Å; T1054-N1058 PolarHBondContact O-ND2 2.83Å
1055	T	72.7	Confident	73.8	Confident	24 Å²	24	51.4 Å²	51.4	15%	0.147	25%	0.253	C	S	.	.	H	α-helix	trans	-64.9	-43	177.8	-55.4	0	0	0	0	111.7	T961 E1051 W1053 V1057 N1058 W1059	T961-T1055 HydrophobicContact CG2-CG2 3.99Å; E1051-T1055 PolarHBondContact O-N 3.49Å; E1051-T1055 PolarHBondContact O-OG1 2.78Å; W1053-T1055 PolarHBondContact O-N 3.4Å; T1055-V1057 VanDerWaalsContact C-N 3.33Å; T1055-V1057 PolarHBondContact O-N 2.95Å; T1055-N1058 WeakPolarHBondContact O-CB 3.37Å; T1055-N1058 PolarHBondContact O-N 2.89Å; T1055-W1059 PolarHBondContact O-N 3.07Å
1056	K	73.8	Confident	71.9	Confident	13 Å²	13	56.7 Å²	56.7	6%	0.057	28%	0.277	C	S	.	.	H	α-helix	trans	-58.7	-43.1	173	-178.3	173.6	-179.8	165.2	0	112.1	A875 D963 S1052 W1053 N1058 W1059 M1060	A875-K1056 WeakPolarHBondContact O-CE 3.26Å; A875-K1056 PolarHBondContact O-NZ 2.93Å; D963-K1056 WeakPolarHBondContact OD1-CE 3.35Å; D963-K1056 IonicContact OD1-NZ 2.76Å; D963-K1056 PolarHBondContact OD1-NZ 2.87Å; D963-K1056 IonicContact OD2-NZ 3.99Å; S1052-K1056 PolarHBondContact O-N 2.95Å; W1053-K1056 HydrophobicContact CE3-CD 4.41Å; W1053-K1056 HydrophobicContact CZ3-CD 4.12Å; W1053-K1056 WeakPolarHBondContact O-CB 3.41Å; W1053-K1056 PolarHBondContact O-N 2.74Å; K1056-N1058 VanDerWaalsContact C-N 3.32Å; K1056-N1058 PolarHBondContact O-N 3.25Å; K1056-W1059 PolarHBondContact O-N 2.99Å; K1056-M1060 PolarHBondContact O-N 3.06Å
1057	V	71.6	Confident	69.9	Low	55 Å²	55	57.7 Å²	57.7	33%	0.333	28%	0.282	S	S	.	.	H	α-helix	trans	-62.7	-38.8	176.9	173.9	0	0	0	0	111.5	W1053 T1054 T1055 M1060 A1061	W1053-V1057 WeakPolarHBondContact O-CG2 3.33Å; W1053-V1057 PolarHBondContact O-N 3.32Å; T1054-V1057 PolarHBondContact O-N 3.5Å; T1055-V1057 VanDerWaalsContact C-N 3.33Å; T1055-V1057 PolarHBondContact O-N 2.95Å; V1057-M1060 HydrophobicContact CB-CE 4.47Å; V1057-M1060 HydrophobicContact CG1-CE 3.93Å; V1057-M1060 PolarHBondContact O-N 2.85Å; V1057-A1061 PolarHBondContact O-N 3.26Å
1058	N	71.1	Confident	67.4	Low	82 Å²	82	65.1 Å²	65.1	44%	0.439	31%	0.309	S	S	.	.	H	α-helix	trans	-65.5	-40.1	175.4	-74.1	-28.7	0	0	0	112.6	T1054 T1055 K1056 M1060 A1061 H1062	T1054-N1058 PolarHBondContact O-N 2.88Å; T1054-N1058 PolarHBondContact O-ND2 2.83Å; T1055-N1058 WeakPolarHBondContact O-CB 3.37Å; T1055-N1058 PolarHBondContact O-N 2.89Å; K1056-N1058 VanDerWaalsContact C-N 3.32Å; K1056-N1058 PolarHBondContact O-N 3.25Å; N1058-M1060 VanDerWaalsContact C-N 3.35Å; N1058-A1061 PolarHBondContact O-N 2.66Å; N1058-H1062 PolarHBondContact O-N 3.38Å; N1058-H1062 VanDerWaalsContact O-N 3.14Å
1059	W	71.1	Confident	65	Low	17 Å²	17	74.4 Å²	74.4	6%	0.064	34%	0.344	C	S	.	.	H	α-helix	trans	-61.7	-43.3	174.8	-73	12.5	0	0	0	111.3	I860 R920 H921 I925 I959 T961 F964 T1055 K1056 A1061 H1062 T1063	I860-W1059 HydrophobicContact CD1-CZ3 4.29Å; R920-W1059 PolarHBondContact O-NE1 3.42Å; H921-W1059 HydrophobicContact CB-CG 4.33Å; I925-W1059 HydrophobicContact CD1-CH2 3.33Å; I925-W1059 HydrophobicContact CD1-CZ2 3.63Å; I925-W1059 HydrophobicContact CD1-CZ3 4.31Å; I959-W1059 HydrophobicContact CG2-CZ2 3.81Å; T961-W1059 HydrophobicContact CG2-CD2 3.97Å; T961-W1059 HydrophobicContact CG2-CE3 3.89Å; T961-W1059 HydrophobicContact CG2-CH2 3.27Å; T961-W1059 HydrophobicContact CG2-CZ2 3.38Å; T961-W1059 HydrophobicContact CG2-CZ3 3.55Å; F964-W1059 HydrophobicContact CE1-CH2 4.45Å; F964-W1059 HydrophobicContact CE1-CZ3 4.46Å; F964-W1059 AromaticContact CE2-CH2 3.93Å; F964-W1059 HydrophobicContact CE2-CH2 3.93Å; F964-W1059 AromaticContact CZ-CH2 3.58Å; F964-W1059 HydrophobicContact CZ-CH2 3.58Å; F964-W1059 HydrophobicContact CZ-CZ3 4Å; T1055-W1059 PolarHBondContact O-N 3.07Å; K1056-W1059 PolarHBondContact O-N 2.99Å; W1059-A1061 PolarHBondContact O-N 2.69Å; W1059-H1062 WeakPolarHBondContact O-CA 3.29Å; W1059-H1062 WeakPolarHBondContact O-CB 3.23Å; W1059-H1062 PolarHBondContact O-N 2.97Å; W1059-T1063 PolarHBondContact O-N 2.96Å; W1059-T1063 VanDerWaalsContact O-N 3.11Å; W1059-T1063 PolarHBondContact O-OG1 2.68Å
1060	M	64.2	Low	62.4	Low	41 Å²	41	78.5 Å²	78.5	20%	0.202	38%	0.377	C	S	.	.	H	α-helix	trans	-60.5	-45.1	174.7	173.9	-167.4	58.3	0	0	112.5	A875 F876 K1056 V1057 N1058 H1062 T1063 V1064	A875-M1060 HydrophobicContact CB-CB 4.5Å; A875-M1060 HydrophobicContact CB-CG 4.27Å; F876-M1060 HydrophobicContact CD2-SD 4.36Å; F876-M1060 HydrophobicContact CE1-SD 4.3Å; F876-M1060 HydrophobicContact CE2-SD 3.47Å; F876-M1060 WeakPolarHBondContact CE2-SD 3Å; F876-M1060 HydrophobicContact CZ-CE 4.02Å; F876-M1060 HydrophobicContact CZ-SD 3.43Å; F876-M1060 WeakPolarHBondContact CZ-SD 3.4Å; K1056-M1060 PolarHBondContact O-N 3.06Å; V1057-M1060 HydrophobicContact CB-CE 4.47Å; V1057-M1060 HydrophobicContact CG1-CE 3.93Å; V1057-M1060 PolarHBondContact O-N 2.85Å; N1058-M1060 VanDerWaalsContact C-N 3.35Å; M1060-H1062 PolarHBondContact O-N 2.75Å; M1060-T1063 PolarHBondContact O-N 3.4Å; M1060-T1063 VanDerWaalsContact O-N 3.1Å; M1060-V1064 HydrophobicContact CG-CG2 4.24Å; M1060-V1064 WeakPolarHBondContact O-CG2 3.17Å; M1060-V1064 PolarHBondContact O-N 3.19Å
1061	A	62.3	Low	61.2	Low	59 Å²	59	74.2 Å²	74.2	49%	0.488	37%	0.365	S	S	.	.	H	α-helix	trans	-61.4	-25	176.7	0	0	0	0	0	112.3	V1057 N1058 W1059 R1065	V1057-A1061 PolarHBondContact O-N 3.26Å; N1058-A1061 PolarHBondContact O-N 2.66Å; W1059-A1061 PolarHBondContact O-N 2.69Å; A1061-R1065 WeakPolarHBondContact O-CB 3.22Å
1062	H	62.1	Low	60.2	Low	44 Å²	44	73.9 Å²	73.9	20%	0.204	37%	0.365	C	S	.	.	H	α-helix	trans	-68	-53.8	170	-157.5	-87.1	0	0	0	111.7	H921 D923 R953 N1058 W1059 M1060 R1065 K1066	H921-H1062 AromaticContact CD2-CD2 3.81Å; H921-H1062 AromaticContact CD2-CE1 3.57Å; H921-H1062 AromaticContact CD2-ND1 3.88Å; H921-H1062 AromaticContact CD2-NE2 3.62Å; H921-H1062 AromaticContact CE1-CE1 3.85Å; H921-H1062 AromaticContact NE2-CE1 3.35Å; H921-H1062 PolarHBondContact NE2-CE1 3.38Å; H921-H1062 AromaticContact NE2-ND1 3.97Å; H921-H1062 AromaticContact NE2-NE2 3.67Å; D923-H1062 IonicContact OD2-ND1 2.83Å; R953-H1062 PolarHBondContact NH1-NE2 3.48Å; R953-H1062 PolarHBondContact NH2-CD2 3.32Å; R953-H1062 PolarHBondContact NH2-NE2 2.91Å; R953-H1062 VanDerWaalsContact NH2-NE2 3.12Å; N1058-H1062 PolarHBondContact O-N 3.38Å; N1058-H1062 VanDerWaalsContact O-N 3.14Å; W1059-H1062 WeakPolarHBondContact O-CA 3.29Å; W1059-H1062 WeakPolarHBondContact O-CB 3.23Å; W1059-H1062 PolarHBondContact O-N 2.97Å; M1060-H1062 PolarHBondContact O-N 2.75Å; H1062-R1065 PolarHBondContact O-N 2.95Å; H1062-K1066 PolarHBondContact O-N 2.94Å
1063	T	59.4	Low	59.2	Low	11 Å²	11	77.4 Å²	77.4	7%	0.067	38%	0.381	C	S	.	.	H	α-helix	trans	-61.3	-48.6	-177	-48.1	0	0	0	0	111.7	W1059 M1060 R1065 K1066 D1067	W1059-T1063 PolarHBondContact O-N 2.96Å; W1059-T1063 VanDerWaalsContact O-N 3.11Å; W1059-T1063 PolarHBondContact O-OG1 2.68Å; M1060-T1063 PolarHBondContact O-N 3.4Å; M1060-T1063 VanDerWaalsContact O-N 3.1Å; T1063-R1065 PolarHBondContact O-N 2.98Å; T1063-K1066 VanDerWaalsContact O-CB 3.27Å; T1063-K1066 WeakPolarHBondContact O-CB 3.49Å; T1063-K1066 PolarHBondContact O-N 3.09Å; T1063-D1067 PolarHBondContact O-N 3.02Å
1064	V	57.1	Low	58.4	Low	51 Å²	51	75.4 Å²	75.4	31%	0.309	38%	0.378	S	S	.	.	H	α-helix	trans	-59.7	-35.9	179	174.6	0	0	0	0	111.7	M1060 K1066 D1067 Y1068	M1060-V1064 HydrophobicContact CG-CG2 4.24Å; M1060-V1064 WeakPolarHBondContact O-CG2 3.17Å; M1060-V1064 PolarHBondContact O-N 3.19Å; V1064-K1066 VanDerWaalsContact C-N 3.26Å; V1064-K1066 PolarHBondContact O-N 2.79Å; V1064-D1067 PolarHBondContact O-N 3.41Å; V1064-Y1068 HydrophobicContact CG1-CD2 3.93Å; V1064-Y1068 HydrophobicContact CG1-CE2 3.78Å; V1064-Y1068 VanDerWaalsContact O-CD2 3.31Å; V1064-Y1068 WeakPolarHBondContact O-CD2 3.28Å; V1064-Y1068 PolarHBondContact O-N 3.13Å
1065	R	55.8	Low	57.5	Low	108 Å²	108	76.9 Å²	76.9	41%	0.408	38%	0.383	S	S	.	.	H	α-helix	trans	-70.6	-22.8	179.8	-165.3	175.6	-170.8	-170	-3.6	113.2	A1061 H1062 T1063	A1061-R1065 WeakPolarHBondContact O-CB 3.22Å; H1062-R1065 PolarHBondContact O-N 2.95Å; T1063-R1065 PolarHBondContact O-N 2.98Å
1066	K	50.4	Low	56.5	Low	114 Å²	114	80.5 Å²	80.5	50%	0.496	40%	0.398	S	S	.	.	H	α-helix	trans	-73.7	-45.8	175.3	-166.6	-175.3	179.2	-172.6	0	110	D923 H1062 T1063 V1064 Y1068 R1069 S1070	D923-K1066 IonicContact OD1-NZ 2.76Å; D923-K1066 PolarHBondContact OD1-NZ 3.46Å; H1062-K1066 PolarHBondContact O-N 2.94Å; T1063-K1066 VanDerWaalsContact O-CB 3.27Å; T1063-K1066 WeakPolarHBondContact O-CB 3.49Å; T1063-K1066 PolarHBondContact O-N 3.09Å; V1064-K1066 VanDerWaalsContact C-N 3.26Å; V1064-K1066 PolarHBondContact O-N 2.79Å; K1066-Y1068 VanDerWaalsContact C-N 3.3Å; K1066-Y1068 PolarHBondContact O-N 3.38Å; K1066-R1069 PolarHBondContact O-N 2.78Å; K1066-S1070 PolarHBondContact O-N 3.38Å; K1066-S1070 VanDerWaalsContact O-N 3.1Å; K1066-S1070 PolarHBondContact O-OG 3.03Å
1067	D	47.4	Very low	55.2	Low	73 Å²	73	85.3 Å²	85.3	39%	0.39	42%	0.423	S	S	.	.	H	α-helix	trans	-62.3	-32.5	179.4	-70.1	-11.7	0	0	0	113.3	A871 T1063 V1064 R1069 S1070	A871-D1067 WeakPolarHBondContact CB-OD2 3.47Å; T1063-D1067 PolarHBondContact O-N 3.02Å; V1064-D1067 PolarHBondContact O-N 3.41Å; D1067-R1069 VanDerWaalsContact C-N 3.27Å; D1067-R1069 PolarHBondContact O-N 3.13Å; D1067-S1070 WeakPolarHBondContact CA-OG 3.46Å; D1067-S1070 PolarHBondContact O-OG 3.22Å
1068	Y	36.4	Very low	54	Low	202 Å²	202	87.6 Å²	87.6	79%	0.792	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-7.6	174	-82.9	-74.9	0	0	0	114.5	V1064 K1066	V1064-Y1068 HydrophobicContact CG1-CD2 3.93Å; V1064-Y1068 HydrophobicContact CG1-CE2 3.78Å; V1064-Y1068 VanDerWaalsContact O-CD2 3.31Å; V1064-Y1068 WeakPolarHBondContact O-CD2 3.28Å; V1064-Y1068 PolarHBondContact O-N 3.13Å; K1066-Y1068 VanDerWaalsContact C-N 3.3Å; K1066-Y1068 PolarHBondContact O-N 3.38Å
1069	R	33.8	Very low	52.5	Low	196 Å²	196	88.1 Å²	88.1	74%	0.74	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	-19.9	-177.2	-80.6	-177.7	169.3	-168.7	-6.6	114.1	K1066 D1067	K1066-R1069 PolarHBondContact O-N 2.78Å; D1067-R1069 VanDerWaalsContact C-N 3.27Å; D1067-R1069 PolarHBondContact O-N 3.13Å
1070	S	30.3	Very low	50.8	Low	141 Å²	141	94.5 Å²	94.5	99%	0.986	46%	0.462	S	S	*	.			trans	-72.9	0	160.8	45.1	0	0	0	0	110.7	K1066 D1067	K1066-S1070 PolarHBondContact O-N 3.38Å; K1066-S1070 VanDerWaalsContact O-N 3.1Å; K1066-S1070 PolarHBondContact O-OG 3.03Å; D1067-S1070 WeakPolarHBondContact CA-OG 3.46Å; D1067-S1070 PolarHBondContact O-OG 3.22Å

Retrieved 1,070 of 1,070 residues in 3017.2 ms (Link to these results)

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