A0A077ZFJ4_TRITR Loading...

DNA-directed RNA polymerase

DNA-dependent RNA polymerase catalyzes the transcription of DNA into RNA using the four ribonucleoside triphosphates as substrates.

AlphaFold DB , UniProt , Accession A0A077ZFJ4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,071 aa.

						>A0A077ZFJ4_TRITR|A0A077ZFJ4
MARFPAERTCRNSMKSDTSYYPLCALKSYLQTCFACGMTTRAYQTFLRYIHPKTLRNRSARANFNDPELFNIVLRGLASCGEVQPKKVQHVLEVMQMKNVKPNHDTIASLLLLGFTNQAMDIADKRQLPLSEVMSQTQYSDKERNIILRRIREAKPEFEGVKSHQNCFTNPQYLCELLDGLRVPVSREWNTHDGLFDKQKLASAFARQMKIELDGFVKVKSVALQPHTSKGFKSRDNFKRKLYENFLSDVQRCWHRQLHRNVLMEKLKLSQAMRNVKHMNIEPFLNCISAKELSDILYEEVSKLCSLSEEYSDPMFFYYERLADRLMKKFHVHLRQRMNVFDKVRTIYAKYAEFFVDNEISVHYNHRQFWQLCACQLYPDHPSVVTGPVNWSYADKQEIGRQLFSLILDSTLIPSTLRLSGDQLVKGDLVPAFYTVFRDIGARAQEELRLHPTLIKLMRTVSPTHINFEPTAVPMVCPPVPWHSTKTGYYLISEVPFIRLHYSALPVAEMEKAVISEEEVFPAIDCLNQLSGTPWVINNPVLDIMLSIFREKGDEALDIPPPPWTMPSFPKIPKQRLNTKEMAAYFKERYEIKKMKNENYSLWCSALYKLSVANHYRNDIIWFPHNLDFRGRVYPCPPHLHHMGDDVCRGLLLFAKGRVLGKRGFEWLKIHCVNLTGLKKRESLSARLQYANDILHEIVDSATRPLDGRRWWTKSEEPWQTLACCMEIANALNCQEGADRYVSHFPIHQDGSCNGLQHYAALGRDAAGAFHVNLCASDTPQDVYSGVASLIENKRAEDAKGFSKVARRLGGFVQRKVVKQTVMTTVYGVTRYGARHQISRQLKLLTDFPKELEFEASKYLMQKTFESLGQMFSSARAIQQWLTELASLISKDCRRAVQWKTPLNFPVVQPYYRSGGVAASVFGDYGATCKGSGLRKSIYGKLSSTKPDSRKQRNGFPPNFIHSLDSSHMMLTSLFCQHAGLTFASVHDCFWTHASTVDVMNRILREQFVALHSRPILEDLSKFLITTYIDHAFWTDKQAERRAYIQKQFSDLPKKGNFDITEVLRSTYFFN
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.7	Very low	28.3	Very low	245 Å²	245	167.1 Å²	167.1	100%	1.207	84%	0.836	S	S	*	*				0	126.4	0	-77.6	173.7	173.2	0	0	108.8
2	A	33.8	Very low	28.2	Very low	86 Å²	86	163.5 Å²	163.5	71%	0.711	82%	0.822	S	S	*	*			trans	35	92.6	173.4	0	0	0	0	0	118.1	F4	A2-F4 PolarHBondContact O-N 3.25Å; A2-F4 VanDerWaalsContact O-N 3.08Å
3	R	28.5	Very low	28.5	Very low	248 Å²	248	159.5 Å²	159.5	94%	0.936	82%	0.818	S	S	*	*			trans	-60.5	107.2	154.7	-75	179.5	176.6	175.6	-1	107.4	P5	R3-P5 WeakPolarHBondContact O-CD 3.1Å
4	F	29.1	Very low	28.7	Very low	195 Å²	195	157.9 Å²	157.9	86%	0.855	81%	0.808	S	S	*	*			trans	-54.5	118.9	170.5	-80.8	-90.9	0	0	0	108.7	A2 A6	A2-F4 PolarHBondContact O-N 3.25Å; A2-F4 VanDerWaalsContact O-N 3.08Å; F4-A6 PolarHBondContact O-N 3.12Å; F4-A6 VanDerWaalsContact O-N 3.08Å
5	P	28.7	Very low	28.9	Very low	116 Å²	116	159.2 Å²	159.2	75%	0.753	81%	0.806	S	S	*	*			trans	-68.4	113.9	173	27.1	-28.2	0	0	0	106.2	R3 E7	R3-P5 WeakPolarHBondContact O-CD 3.1Å; P5-E7 PolarHBondContact O-N 3.34Å
6	A	29.2	Very low	29.6	Very low	92 Å²	92	153.8 Å²	153.8	76%	0.76	79%	0.787	S	S	*	*			trans	-43.5	111.4	169.5	0	0	0	0	0	107.9	F4 R8	F4-A6 PolarHBondContact O-N 3.12Å; F4-A6 VanDerWaalsContact O-N 3.08Å; A6-R8 PolarHBondContact O-N 2.88Å
7	E	27.2	Very low	30.8	Very low	164 Å²	164	149 Å²	149	77%	0.766	76%	0.763	S	S	*	*			trans	-46.2	117.9	173.2	-70.1	-178.2	149.3	0	0	106.3	P5 T9	P5-E7 PolarHBondContact O-N 3.34Å; E7-T9 HydrophobicContact CB-CG2 4.25Å; E7-T9 PolarHBondContact O-N 2.84Å
8	R	24.8	Very low	32	Very low	238 Å²	238	147.5 Å²	147.5	90%	0.898	76%	0.763	S	S	*	*			trans	-65.3	75	165.7	-79	179	172.4	177.3	-1	106.5	A6 C10	A6-R8 PolarHBondContact O-N 2.88Å; R8-C10 PolarHBondContact O-N 2.91Å
9	T	26.9	Very low	33.7	Very low	106 Å²	106	140.2 Å²	140.2	65%	0.65	73%	0.726	S	S	*	*			trans	-53.9	131.5	171.4	40.8	0	0	0	0	107.6	E7 R11	E7-T9 HydrophobicContact CB-CG2 4.25Å; E7-T9 PolarHBondContact O-N 2.84Å; T9-R11 PolarHBondContact O-N 3.41Å
10	C	26.7	Very low	35.4	Very low	116 Å²	116	134.7 Å²	134.7	78%	0.784	70%	0.695	S	S	*	*			trans	-34.1	98.5	-171.4	-72.9	0	0	0	0	114.6	R8 N12	R8-C10 PolarHBondContact O-N 2.91Å; C10-N12 PolarHBondContact O-N 3.2Å
11	R	26.1	Very low	37	Very low	232 Å²	232	130.1 Å²	130.1	88%	0.875	67%	0.669	S	S	*	*	S	Bend	trans	-66.5	18.9	174	-88.1	-173.4	174.4	-175.9	-1.5	115.3	T9	T9-R11 PolarHBondContact O-N 3.41Å
12	N	26.2	Very low	39.1	Very low	124 Å²	124	119.4 Å²	119.4	66%	0.663	62%	0.618	S	S	*	*			trans	-135.4	31.2	-161.3	-88.9	-14.4	0	0	0	117.7	C10	C10-N12 PolarHBondContact O-N 3.2Å
13	S	32.6	Very low	41.2	Very low	111 Å²	111	116 Å²	116	78%	0.776	59%	0.588	S	S	*	*	S	Bend	trans	-98.7	7	179.1	66.1	0	0	0	0	117.8
14	M	31.2	Very low	43.6	Very low	137 Å²	137	105.3 Å²	105.3	68%	0.675	55%	0.551	S	S	*	*			trans	-134.5	6.6	-179.3	-79.1	-159.9	139	0	0	117.5	S16 R895	M14-S16 PolarHBondContact O-N 3.47Å; M14-R895 HydrophobicContact CE-CG 4.24Å
15	K	31.5	Very low	46.1	Very low	178 Å²	178	96 Å²	96	77%	0.774	51%	0.51	S	S	*	.	S	Bend	trans	-72.3	116.1	162.6	-77.9	-176.9	179.1	175.3	0	107	D17	K15-D17 PolarHBondContact O-N 3.24Å
16	S	41.1	Very low	48.8	Very low	72 Å²	72	90.5 Å²	90.5	50%	0.503	48%	0.475	S	S	.	.			trans	-19.9	105.6	173.3	56.7	0	0	0	0	111.2	M14 T18	M14-S16 PolarHBondContact O-N 3.47Å; S16-T18 PolarHBondContact O-N 2.95Å
17	D	49.2	Very low	51.6	Low	73 Å²	73	87.1 Å²	87.1	39%	0.39	44%	0.443	S	S	.	.			trans	-68.4	84.9	-166.6	-165	-1.1	0	0	0	109.9	K15 S19 Y20 M510	K15-D17 PolarHBondContact O-N 3.24Å; D17-S19 PolarHBondContact O-N 3.08Å; D17-S19 VanDerWaalsContact OD1-CB 3.32Å; D17-S19 WeakPolarHBondContact OD1-CB 2.97Å; D17-S19 PolarHBondContact OD1-N 3Å; D17-S19 PolarHBondContact OD1-OG 3.08Å; D17-Y20 PolarHBondContact O-N 2.77Å; D17-M510 HydrophobicContact CB-CE 4.11Å
18	T	52.1	Low	54.6	Low	122 Å²	122	79.6 Å²	79.6	75%	0.748	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-13	178.2	43.9	0	0	0	0	111.7	S16	S16-T18 PolarHBondContact O-N 2.95Å
19	S	64.2	Low	57.7	Low	9 Å²	9	68.2 Å²	68.2	6%	0.063	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-19	175.6	-1.1	0	0	0	0	114.5	D17 Y21 P22 L23	D17-S19 PolarHBondContact O-N 3.08Å; D17-S19 VanDerWaalsContact OD1-CB 3.32Å; D17-S19 WeakPolarHBondContact OD1-CB 2.97Å; D17-S19 PolarHBondContact OD1-N 3Å; D17-S19 PolarHBondContact OD1-OG 3.08Å; S19-Y21 PolarHBondContact O-N 3.44Å; S19-P22 VanDerWaalsContact O-CD 3.29Å; S19-P22 WeakPolarHBondContact O-CD 3.45Å; S19-L23 WeakPolarHBondContact O-CB 3.42Å; S19-L23 PolarHBondContact O-N 3.15Å
20	Y	67.6	Low	60.8	Low	30 Å²	30	63.2 Å²	63.2	12%	0.118	33%	0.334	C	S	.	.	H	α-helix	trans	-55.9	-56.2	-170.6	176.4	-103.1	0	0	0	113	D17 L23 C24 P506 E509 M510	D17-Y20 PolarHBondContact O-N 2.77Å; Y20-L23 WeakPolarHBondContact O-CB 3.4Å; Y20-L23 PolarHBondContact O-N 3.09Å; Y20-L23 VanDerWaalsContact O-N 3.17Å; Y20-C24 PolarHBondContact O-N 3.45Å; Y20-C24 PolarHBondContact O-SG 3.48Å; Y20-P506 HydrophobicContact CE1-CB 4.39Å; Y20-P506 WeakPolarHBondContact CE1-O 3.39Å; Y20-P506 PolarHBondContact OH-O 3.34Å; Y20-E509 WeakPolarHBondContact OH-CB 3.15Å; Y20-E509 PolarHBondContact OH-OE2 3.3Å; Y20-M510 HydrophobicContact CD1-CE 4.37Å; Y20-M510 HydrophobicContact CD1-CG 3.75Å; Y20-M510 HydrophobicContact CD1-SD 3.57Å; Y20-M510 VanDerWaalsContact CD1-SD 3.57Å; Y20-M510 HydrophobicContact CD2-CE 4.01Å; Y20-M510 HydrophobicContact CD2-CG 3.48Å; Y20-M510 VanDerWaalsContact CD2-CG 3.48Å; Y20-M510 HydrophobicContact CD2-SD 4Å; Y20-M510 HydrophobicContact CE1-CG 3.6Å; Y20-M510 HydrophobicContact CE1-SD 3.96Å; Y20-M510 HydrophobicContact CE2-CB 4.44Å; Y20-M510 HydrophobicContact CE2-CG 3.31Å; Y20-M510 HydrophobicContact CE2-SD 4.35Å; Y20-M510 HydrophobicContact CG-CE 3.78Å; Y20-M510 HydrophobicContact CG-CG 3.69Å; Y20-M510 HydrophobicContact CG-SD 3.59Å; Y20-M510 VanDerWaalsContact CG-SD 3.59Å
21	Y	70.4	Confident	63.8	Low	38 Å²	38	59.2 Å²	59.2	15%	0.149	30%	0.304	C	S	.	.	H	α-helix	trans	-66.6	-41.9	-178.2	-59.9	-91.2	0	0	0	113.1	S19 L23 C24 A25 P506 L942 S943	S19-Y21 PolarHBondContact O-N 3.44Å; Y21-L23 VanDerWaalsContact C-N 3.26Å; Y21-L23 PolarHBondContact O-N 3.14Å; Y21-C24 PolarHBondContact O-N 3.16Å; Y21-A25 PolarHBondContact O-N 3.05Å; Y21-P506 HydrophobicContact CE1-CB 3.58Å; Y21-P506 HydrophobicContact CE1-CG 4.21Å; Y21-L942 HydrophobicContact CD1-CD2 3.31Å; Y21-L942 HydrophobicContact CD2-CD2 3.1Å; Y21-L942 HydrophobicContact CD2-CG 4.37Å; Y21-L942 HydrophobicContact CE1-CD2 3.54Å; Y21-L942 HydrophobicContact CE2-CB 4.06Å; Y21-L942 HydrophobicContact CE2-CD2 3.34Å; Y21-L942 HydrophobicContact CE2-CG 4.35Å; Y21-L942 HydrophobicContact CG-CD2 3.04Å; Y21-S943 PolarHBondContact OH-O 2.75Å
22	P	74.6	Confident	66.9	Low	20 Å²	20	48.1 Å²	48.1	13%	0.13	26%	0.262	C	S	.	.	H	α-helix	trans	-58.1	-38.9	170.7	-23.1	26.8	0	0	0	113.2	S19 L26 F64 V921 F922	S19-P22 VanDerWaalsContact O-CD 3.29Å; S19-P22 WeakPolarHBondContact O-CD 3.45Å; P22-L26 VanDerWaalsContact O-CB 3.26Å; P22-L26 WeakPolarHBondContact O-CB 3.27Å; P22-L26 PolarHBondContact O-N 3.35Å; P22-F64 HydrophobicContact CB-CE1 3.79Å; P22-F64 HydrophobicContact CB-CZ 3.61Å; P22-V921 HydrophobicContact CB-CG1 3.63Å; P22-V921 VanDerWaalsContact CD-CG1 3.41Å; P22-V921 HydrophobicContact CG-CG1 3.35Å; P22-F922 HydrophobicContact CB-CE1 3.89Å; P22-F922 HydrophobicContact CB-CE2 4.4Å; P22-F922 HydrophobicContact CB-CZ 3.67Å; P22-F922 VanDerWaalsContact O-CZ 3.26Å; P22-F922 WeakPolarHBondContact O-CZ 3.47Å
23	L	77.8	Confident	70	Confident	15 Å²	15	42.2 Å²	42.2	8%	0.079	23%	0.231	C	C	.	.	H	α-helix	trans	-64.3	-47.3	176.5	176.7	64.8	0	0	0	111.2	S19 Y20 Y21 L26 K27 F64 D66 L69	S19-L23 WeakPolarHBondContact O-CB 3.42Å; S19-L23 PolarHBondContact O-N 3.15Å; Y20-L23 WeakPolarHBondContact O-CB 3.4Å; Y20-L23 PolarHBondContact O-N 3.09Å; Y20-L23 VanDerWaalsContact O-N 3.17Å; Y21-L23 VanDerWaalsContact C-N 3.26Å; Y21-L23 PolarHBondContact O-N 3.14Å; L23-L26 PolarHBondContact O-N 2.99Å; L23-K27 HydrophobicContact CD1-CG 4.4Å; L23-K27 HydrophobicContact CG-CD 4.46Å; L23-K27 WeakPolarHBondContact O-CG 3.35Å; L23-K27 PolarHBondContact O-N 3.42Å; L23-F64 HydrophobicContact CB-CD1 3.96Å; L23-F64 HydrophobicContact CB-CE1 4.06Å; L23-F64 HydrophobicContact CD1-CB 4.45Å; L23-F64 HydrophobicContact CD1-CD1 4.14Å; L23-D66 HydrophobicContact CD1-CB 4.19Å; L23-D66 HydrophobicContact CD2-CB 3.76Å; L23-L69 HydrophobicContact CD1-CB 4.25Å; L23-L69 HydrophobicContact CD1-CD1 4.38Å; L23-L69 HydrophobicContact CD1-CD2 3.8Å; L23-L69 HydrophobicContact CD1-CG 4.39Å
24	C	78.3	Confident	72.8	Confident	24 Å²	24	37.7 Å²	37.7	16%	0.162	20%	0.197	C	C	.	.	H	α-helix	trans	-58.8	-50.1	176.6	-66.6	0	0	0	0	111.7	Y20 Y21 L26 K27 S28	Y20-C24 PolarHBondContact O-N 3.45Å; Y20-C24 PolarHBondContact O-SG 3.48Å; Y21-C24 PolarHBondContact O-N 3.16Å; C24-L26 VanDerWaalsContact C-N 3.3Å; C24-L26 PolarHBondContact O-N 3.32Å; C24-K27 PolarHBondContact O-N 2.99Å; C24-S28 PolarHBondContact O-N 3.28Å; C24-S28 PolarHBondContact O-OG 3.43Å
25	A	81.4	Confident	75.3	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.9	-41.3	178.5	0	0	0	0	0	111.9	Y21 Y29 M279 S392 F922	Y21-A25 PolarHBondContact O-N 3.05Å; A25-Y29 VanDerWaalsContact O-CB 3.28Å; A25-Y29 WeakPolarHBondContact O-CB 3.25Å; A25-Y29 PolarHBondContact O-N 3.39Å; A25-M279 HydrophobicContact CB-CE 4.35Å; A25-M279 WeakPolarHBondContact O-CE 3.31Å; A25-S392 WeakPolarHBondContact CA-OG 3.48Å; A25-F922 HydrophobicContact CB-CE2 4.04Å
26	L	86.6	Confident	78	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.3	-42.7	177.1	-175.5	59.9	0	0	0	112.1	P22 L23 C24 Y29 L30 T45 Y49 I50 F64 L69 M279 F922	P22-L26 VanDerWaalsContact O-CB 3.26Å; P22-L26 WeakPolarHBondContact O-CB 3.27Å; P22-L26 PolarHBondContact O-N 3.35Å; L23-L26 PolarHBondContact O-N 2.99Å; C24-L26 VanDerWaalsContact C-N 3.3Å; C24-L26 PolarHBondContact O-N 3.32Å; L26-Y29 PolarHBondContact O-N 3.11Å; L26-L30 HydrophobicContact CD1-CD1 4.07Å; L26-L30 HydrophobicContact CD1-CG 4.14Å; L26-L30 HydrophobicContact CG-CD1 3.99Å; L26-L30 HydrophobicContact CG-CG 4.45Å; L26-L30 WeakPolarHBondContact O-CB 3.06Å; L26-L30 VanDerWaalsContact O-CG 3.23Å; L26-L30 WeakPolarHBondContact O-CG 3.27Å; L26-L30 PolarHBondContact O-N 3.2Å; L26-T45 HydrophobicContact CD1-CG2 3.9Å; L26-Y49 HydrophobicContact CD1-CD2 4.06Å; L26-Y49 HydrophobicContact CD1-CG 4.38Å; L26-I50 HydrophobicContact CD2-CD1 3.89Å; L26-I50 HydrophobicContact CD2-CG1 3.94Å; L26-F64 HydrophobicContact CD2-CD2 4.24Å; L26-F64 HydrophobicContact CD2-CE2 4.27Å; L26-L69 HydrophobicContact CD2-CD1 4.02Å; L26-L69 HydrophobicContact CD2-CD2 4.19Å; L26-L69 HydrophobicContact CG-CD1 3.95Å; L26-M279 HydrophobicContact CD1-SD 3.81Å; L26-F922 HydrophobicContact CB-CE2 4.47Å; L26-F922 HydrophobicContact CB-CZ 4.27Å
27	K	88.1	Confident	80.1	Confident	21 Å²	21	25 Å²	25	9%	0.091	16%	0.155	C	C	.	.	H	α-helix	trans	-60.2	-52	174.8	-73.3	-179.9	179.7	-178.7	0	111.4	L23 C24 Y29 L30 Q31 D66 E68 L69 I72	L23-K27 HydrophobicContact CD1-CG 4.4Å; L23-K27 HydrophobicContact CG-CD 4.46Å; L23-K27 WeakPolarHBondContact O-CG 3.35Å; L23-K27 PolarHBondContact O-N 3.42Å; C24-K27 PolarHBondContact O-N 2.99Å; K27-Y29 VanDerWaalsContact C-N 3.28Å; K27-Y29 PolarHBondContact O-N 3.33Å; K27-L30 PolarHBondContact O-N 2.93Å; K27-Q31 WeakPolarHBondContact O-CB 3.24Å; K27-Q31 VanDerWaalsContact O-CG 3.29Å; K27-Q31 WeakPolarHBondContact O-CG 3.47Å; K27-Q31 PolarHBondContact O-N 3.07Å; K27-D66 WeakPolarHBondContact CE-OD2 3.31Å; K27-D66 IonicContact NZ-OD1 2.72Å; K27-D66 IonicContact NZ-OD2 2.64Å; K27-D66 PolarHBondContact NZ-OD2 3.4Å; K27-E68 IonicContact NZ-OE2 3.1Å; K27-E68 PolarHBondContact NZ-OE2 3.26Å; K27-L69 HydrophobicContact CG-CD1 3.95Å; K27-I72 HydrophobicContact CB-CD1 3.84Å; K27-I72 HydrophobicContact CD-CD1 4.29Å; K27-I72 HydrophobicContact CG-CD1 3.77Å
28	S	88.5	Confident	82	Confident	5 Å²	5	23.3 Å²	23.3	4%	0.035	15%	0.145	C	C	.	.	H	α-helix	trans	-56	-44	179.2	-60.7	0	0	0	0	111.9	C24 T32 N390 W391 S392 D395	C24-S28 PolarHBondContact O-N 3.28Å; C24-S28 PolarHBondContact O-OG 3.43Å; S28-T32 WeakPolarHBondContact O-CB 3.45Å; S28-T32 PolarHBondContact O-N 2.99Å; S28-T32 PolarHBondContact O-OG1 3.14Å; S28-N390 PolarHBondContact OG-O 3.31Å; S28-W391 WeakPolarHBondContact OG-CA 3.47Å; S28-S392 PolarHBondContact OG-N 2.85Å; S28-D395 VanDerWaalsContact CB-OD2 3.31Å; S28-D395 WeakPolarHBondContact CB-OD2 3.5Å
29	Y	90.6	Very high	83.7	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-65.8	-48	178.2	-177.6	-94.2	0	0	0	113	A25 L26 K27 T32 C33 R41 T45 M279 N280 P283 F284	A25-Y29 VanDerWaalsContact O-CB 3.28Å; A25-Y29 WeakPolarHBondContact O-CB 3.25Å; A25-Y29 PolarHBondContact O-N 3.39Å; L26-Y29 PolarHBondContact O-N 3.11Å; K27-Y29 VanDerWaalsContact C-N 3.28Å; K27-Y29 PolarHBondContact O-N 3.33Å; Y29-T32 PolarHBondContact O-N 2.99Å; Y29-C33 WeakPolarHBondContact CE1-SG 3.27Å; Y29-C33 VanDerWaalsContact CZ-SG 3.6Å; Y29-C33 WeakPolarHBondContact O-CB 3.27Å; Y29-C33 PolarHBondContact O-N 3Å; Y29-C33 PolarHBondContact O-SG 3.39Å; Y29-R41 PolarHBondContact OH-NE 3.06Å; Y29-R41 PolarHBondContact OH-NH2 3.19Å; Y29-T45 HydrophobicContact CD1-CG2 3.86Å; Y29-T45 HydrophobicContact CE1-CG2 3.74Å; Y29-M279 VanDerWaalsContact CB-CE 3.49Å; Y29-M279 HydrophobicContact CD1-CE 4.44Å; Y29-M279 HydrophobicContact CD1-CG 3.75Å; Y29-M279 HydrophobicContact CD1-SD 4.41Å; Y29-M279 HydrophobicContact CD2-CB 4.19Å; Y29-M279 HydrophobicContact CD2-CE 4.16Å; Y29-M279 HydrophobicContact CD2-CG 4.14Å; Y29-M279 HydrophobicContact CE1-CG 3.88Å; Y29-M279 HydrophobicContact CE2-CB 4.16Å; Y29-M279 HydrophobicContact CE2-CG 4.28Å; Y29-M279 HydrophobicContact CG-CB 4.42Å; Y29-M279 HydrophobicContact CG-CE 3.78Å; Y29-M279 HydrophobicContact CG-CG 3.87Å; Y29-M279 HydrophobicContact CG-SD 4.33Å; Y29-N280 WeakPolarHBondContact CE2-O 3.09Å; Y29-P283 HydrophobicContact CD2-CG 4.4Å; Y29-P283 HydrophobicContact CE2-CG 3.63Å; Y29-F284 AromaticContact CD2-CE2 3.73Å; Y29-F284 HydrophobicContact CD2-CE2 3.73Å; Y29-F284 HydrophobicContact CD2-CZ 4.05Å; Y29-F284 HydrophobicContact CE2-CE2 4.45Å
30	L	91.7	Very high	84.8	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-63.5	-46.2	180	-70.6	173.9	0	0	0	111.2	L26 K27 T32 C33 F34 A42 T45 L69 I72 V73	L26-L30 HydrophobicContact CD1-CD1 4.07Å; L26-L30 HydrophobicContact CD1-CG 4.14Å; L26-L30 HydrophobicContact CG-CD1 3.99Å; L26-L30 HydrophobicContact CG-CG 4.45Å; L26-L30 WeakPolarHBondContact O-CB 3.06Å; L26-L30 VanDerWaalsContact O-CG 3.23Å; L26-L30 WeakPolarHBondContact O-CG 3.27Å; L26-L30 PolarHBondContact O-N 3.2Å; K27-L30 PolarHBondContact O-N 2.93Å; L30-T32 VanDerWaalsContact C-N 3.32Å; L30-T32 PolarHBondContact O-N 2.74Å; L30-C33 PolarHBondContact O-N 3.01Å; L30-F34 WeakPolarHBondContact O-CD2 3.33Å; L30-F34 PolarHBondContact O-N 3.09Å; L30-A42 HydrophobicContact CD2-CB 4.05Å; L30-A42 WeakPolarHBondContact CD2-O 3.26Å; L30-T45 HydrophobicContact CD2-CG2 4.22Å; L30-L69 HydrophobicContact CD1-CD1 3.68Å; L30-I72 HydrophobicContact CB-CG2 3.82Å; L30-V73 HydrophobicContact CD1-CG2 4.06Å
31	Q	90.3	Very high	85.8	Confident	32 Å²	32	22.1 Å²	22.1	15%	0.15	14%	0.136	C	C	.	.	H	α-helix	trans	-56.9	-46.7	176	-73.3	172.1	-25.6	0	0	111.3	K27 F34 A35 I72 V389	K27-Q31 WeakPolarHBondContact O-CB 3.24Å; K27-Q31 VanDerWaalsContact O-CG 3.29Å; K27-Q31 WeakPolarHBondContact O-CG 3.47Å; K27-Q31 PolarHBondContact O-N 3.07Å; Q31-F34 PolarHBondContact O-N 3.03Å; Q31-A35 WeakPolarHBondContact O-CB 3.14Å; Q31-A35 PolarHBondContact O-N 2.65Å; Q31-I72 HydrophobicContact CB-CG2 4.49Å; Q31-I72 HydrophobicContact CG-CB 4.38Å; Q31-I72 HydrophobicContact CG-CD1 3.7Å; Q31-I72 HydrophobicContact CG-CG1 3.74Å; Q31-I72 HydrophobicContact CG-CG2 3.67Å; Q31-V389 HydrophobicContact CB-CG1 3.78Å
32	T	91.6	Very high	86.7	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65.4	-41.6	179.2	-53.5	0	0	0	0	111.4	S28 Y29 L30 F34 A35 C36 P283 F284 C287 W391	S28-T32 WeakPolarHBondContact O-CB 3.45Å; S28-T32 PolarHBondContact O-N 2.99Å; S28-T32 PolarHBondContact O-OG1 3.14Å; Y29-T32 PolarHBondContact O-N 2.99Å; L30-T32 VanDerWaalsContact C-N 3.32Å; L30-T32 PolarHBondContact O-N 2.74Å; T32-F34 PolarHBondContact O-N 2.86Å; T32-A35 PolarHBondContact O-N 3.26Å; T32-C36 WeakPolarHBondContact O-CB 3.28Å; T32-C36 PolarHBondContact O-N 2.94Å; T32-C36 PolarHBondContact O-SG 3.26Å; T32-P283 HydrophobicContact CG2-CB 4.04Å; T32-F284 HydrophobicContact CG2-CD1 3.78Å; T32-F284 HydrophobicContact CG2-CE1 4.29Å; T32-F284 HydrophobicContact CG2-CG 4.25Å; T32-F284 WeakPolarHBondContact OG1-CE1 3.1Å; T32-C287 HydrophobicContact CG2-CB 4.47Å; T32-W391 HydrophobicContact CG2-CZ2 4.46Å; T32-W391 PolarHBondContact OG1-NE1 3.41Å; T32-W391 VanDerWaalsContact OG1-NE1 3.11Å
33	C	91.1	Very high	87.4	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-58	-49	175.4	-71.9	0	0	0	0	112	Y29 L30 C36 G37 M38 A42 P283	Y29-C33 WeakPolarHBondContact CE1-SG 3.27Å; Y29-C33 VanDerWaalsContact CZ-SG 3.6Å; Y29-C33 WeakPolarHBondContact O-CB 3.27Å; Y29-C33 PolarHBondContact O-N 3Å; Y29-C33 PolarHBondContact O-SG 3.39Å; L30-C33 PolarHBondContact O-N 3.01Å; C33-C36 CarbonylContact O-C 3.58Å; C33-C36 PolarHBondContact O-N 3.49Å; C33-G37 PolarHBondContact O-N 2.9Å; C33-M38 HydrophobicContact CB-CB 4.13Å; C33-M38 WeakPolarHBondContact O-CA 3.4Å; C33-M38 WeakPolarHBondContact O-CB 3.49Å; C33-M38 PolarHBondContact O-N 3.2Å; C33-A42 HydrophobicContact CB-CB 3.68Å; C33-P283 WeakPolarHBondContact SG-CG 3.33Å
34	F	90	Very high	87.9	Confident	15 Å²	15	23.8 Å²	23.8	7%	0.066	14%	0.142	C	C	.	.	H	α-helix	trans	-65.2	-41.9	179.7	-73	-62.8	0	0	0	112.2	L30 Q31 T32 C36 G37 T39 A42 I72 V73 G76	L30-F34 WeakPolarHBondContact O-CD2 3.33Å; L30-F34 PolarHBondContact O-N 3.09Å; Q31-F34 PolarHBondContact O-N 3.03Å; T32-F34 PolarHBondContact O-N 2.86Å; F34-C36 PolarHBondContact O-N 3.36Å; F34-G37 PolarHBondContact O-N 3.05Å; F34-T39 HydrophobicContact CD1-CG2 4.35Å; F34-T39 HydrophobicContact CE1-CG2 3.89Å; F34-A42 HydrophobicContact CD1-CB 3.97Å; F34-A42 HydrophobicContact CD2-CB 3.92Å; F34-A42 HydrophobicContact CE1-CB 3.63Å; F34-A42 HydrophobicContact CE2-CB 3.53Å; F34-A42 HydrophobicContact CG-CB 4.12Å; F34-A42 HydrophobicContact CZ-CB 3.39Å; F34-I72 HydrophobicContact CD2-CG2 4.18Å; F34-I72 HydrophobicContact CE2-CG2 4.34Å; F34-V73 HydrophobicContact CE2-CB 4.32Å; F34-V73 HydrophobicContact CE2-CG2 4.12Å; F34-V73 HydrophobicContact CZ-CB 4.35Å; F34-V73 HydrophobicContact CZ-CG1 4.14Å; F34-V73 HydrophobicContact CZ-CG2 4.43Å; F34-G76 VanDerWaalsContact CD1-C 3.41Å; F34-G76 WeakPolarHBondContact CD1-O 3.11Å; F34-G76 VanDerWaalsContact CE1-C 3.46Å; F34-G76 VanDerWaalsContact CG-CA 3.4Å
35	A	85.3	Confident	88.4	Confident	28 Å²	28	22.8 Å²	22.8	23%	0.231	14%	0.135	C	C	.	.	H	α-helix	trans	-62.1	-27.3	175.7	0	0	0	0	0	113.7	Q31 T32 F330 L334 R337	Q31-A35 WeakPolarHBondContact O-CB 3.14Å; Q31-A35 PolarHBondContact O-N 2.65Å; T32-A35 PolarHBondContact O-N 3.26Å; A35-F330 HydrophobicContact CB-CE2 3.95Å; A35-F330 HydrophobicContact CB-CZ 3.51Å; A35-L334 HydrophobicContact CB-CD2 4.11Å; A35-R337 PolarHBondContact O-NH1 3.41Å
36	C	86.8	Confident	88.8	Confident	35 Å²	35	22.8 Å²	22.8	24%	0.236	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	4.1	173.7	-65	0	0	0	0	114	T32 C33 F34 M38 P283 C287	T32-C36 WeakPolarHBondContact O-CB 3.28Å; T32-C36 PolarHBondContact O-N 2.94Å; T32-C36 PolarHBondContact O-SG 3.26Å; C33-C36 CarbonylContact O-C 3.58Å; C33-C36 PolarHBondContact O-N 3.49Å; F34-C36 PolarHBondContact O-N 3.36Å; C36-M38 VanDerWaalsContact C-N 3.26Å; C36-M38 HydrophobicContact CB-CE 4.32Å; C36-M38 HydrophobicContact CB-CG 4.14Å; C36-M38 PolarHBondContact O-N 3.39Å; C36-P283 PolarHBondContact SG-O 3.42Å; C36-P283 VanDerWaalsContact SG-O 3.37Å; C36-C287 WeakPolarHBondContact SG-CA 3.46Å; C36-C287 VanDerWaalsContact SG-CB 3.56Å
37	G	86.3	Confident	88.8	Confident	58 Å²	58	24.6 Å²	24.6	60%	0.598	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.4	11.2	-177.2	0	0	0	0	0	114.8	C33 F34 T39	C33-G37 PolarHBondContact O-N 2.9Å; F34-G37 PolarHBondContact O-N 3.05Å; G37-T39 PolarHBondContact O-N 3.11Å
38	M	88.2	Confident	88.6	Confident	38 Å²	38	26.9 Å²	26.9	19%	0.187	15%	0.153	C	C	.	.			trans	-82.7	49.6	179.4	-57.1	-174.2	-177.3	0	0	112.2	C33 C36 T40 R41 A42 P283 N286	C33-M38 HydrophobicContact CB-CB 4.13Å; C33-M38 WeakPolarHBondContact O-CA 3.4Å; C33-M38 WeakPolarHBondContact O-CB 3.49Å; C33-M38 PolarHBondContact O-N 3.2Å; C36-M38 VanDerWaalsContact C-N 3.26Å; C36-M38 HydrophobicContact CB-CE 4.32Å; C36-M38 HydrophobicContact CB-CG 4.14Å; C36-M38 PolarHBondContact O-N 3.39Å; M38-T40 PolarHBondContact O-N 3.33Å; M38-R41 HydrophobicContact CB-CB 4.28Å; M38-R41 WeakPolarHBondContact O-CB 3.36Å; M38-R41 PolarHBondContact O-N 3.38Å; M38-A42 PolarHBondContact O-N 3.01Å; M38-P283 HydrophobicContact SD-CB 3.96Å; M38-P283 HydrophobicContact SD-CG 3.87Å; M38-N286 HydrophobicContact CE-CB 3.83Å
39	T	88.5	Confident	88.4	Confident	17 Å²	17	26.7 Å²	26.7	10%	0.104	15%	0.151	C	C	.	.	H	α-helix	trans	-59.9	-49.2	-171	-56	0	0	0	0	113.6	F34 G37 R41 A42 Y43 L77 C80	F34-T39 HydrophobicContact CD1-CG2 4.35Å; F34-T39 HydrophobicContact CE1-CG2 3.89Å; G37-T39 PolarHBondContact O-N 3.11Å; T39-R41 PolarHBondContact O-N 3.16Å; T39-A42 PolarHBondContact O-N 2.8Å; T39-Y43 WeakPolarHBondContact O-CB 3.03Å; T39-Y43 PolarHBondContact O-N 2.94Å; T39-L77 HydrophobicContact CG2-CD2 3.9Å; T39-C80 VanDerWaalsContact CB-SG 3.54Å; T39-C80 WeakPolarHBondContact CG2-SG 3.27Å; T39-C80 PolarHBondContact OG1-SG 2.99Å
40	T	87.4	Confident	88.1	Confident	81 Å²	81	26.7 Å²	26.7	50%	0.497	15%	0.151	S	C	.	.	H	α-helix	trans	-57.3	-38.5	-179.2	-65.3	0	0	0	0	111	M38 Q44	M38-T40 PolarHBondContact O-N 3.33Å; T40-Q44 VanDerWaalsContact O-CG 3.27Å; T40-Q44 WeakPolarHBondContact O-CG 3.16Å; T40-Q44 PolarHBondContact O-N 2.92Å
41	R	87.4	Confident	87.6	Confident	37 Å²	37	27.6 Å²	27.6	14%	0.14	16%	0.155	C	C	.	.	H	α-helix	trans	-71.6	-44.9	178.6	-177.4	176.9	-175.8	172.5	-2.1	112.9	Y29 M38 T39 Y43 Q44 T45 N280 E282	Y29-R41 PolarHBondContact OH-NE 3.06Å; Y29-R41 PolarHBondContact OH-NH2 3.19Å; M38-R41 HydrophobicContact CB-CB 4.28Å; M38-R41 WeakPolarHBondContact O-CB 3.36Å; M38-R41 PolarHBondContact O-N 3.38Å; T39-R41 PolarHBondContact O-N 3.16Å; R41-Y43 VanDerWaalsContact C-N 3.26Å; R41-Y43 PolarHBondContact O-N 3.33Å; R41-Q44 PolarHBondContact O-N 2.9Å; R41-T45 WeakPolarHBondContact O-CB 3.44Å; R41-T45 PolarHBondContact O-N 3.42Å; R41-T45 PolarHBondContact O-OG1 3.4Å; R41-N280 PolarHBondContact NH2-ND2 3.5Å; R41-N280 PolarHBondContact NH2-OD1 3.22Å; R41-E282 IonicContact CZ-OE2 3.35Å; R41-E282 IonicContact NH1-OE2 2.71Å; R41-E282 PolarHBondContact NH1-OE2 3.03Å; R41-E282 IonicContact NH2-OE2 3.6Å
42	A	90.5	Very high	86.7	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-56.4	-46.5	175	0	0	0	0	0	110.3	L30 C33 F34 M38 T39 T45 F46	L30-A42 HydrophobicContact CD2-CB 4.05Å; L30-A42 WeakPolarHBondContact CD2-O 3.26Å; C33-A42 HydrophobicContact CB-CB 3.68Å; F34-A42 HydrophobicContact CD1-CB 3.97Å; F34-A42 HydrophobicContact CD2-CB 3.92Å; F34-A42 HydrophobicContact CE1-CB 3.63Å; F34-A42 HydrophobicContact CE2-CB 3.53Å; F34-A42 HydrophobicContact CG-CB 4.12Å; F34-A42 HydrophobicContact CZ-CB 3.39Å; M38-A42 PolarHBondContact O-N 3.01Å; T39-A42 PolarHBondContact O-N 2.8Å; A42-T45 WeakPolarHBondContact O-CB 3.26Å; A42-T45 PolarHBondContact O-N 3.05Å; A42-F46 PolarHBondContact O-N 3.36Å
43	Y	90.1	Very high	85.7	Confident	24 Å²	24	36.9 Å²	36.9	9%	0.094	20%	0.199	C	C	.	.	H	α-helix	trans	-63	-45.6	178.2	-177.8	-108.1	0	0	0	113.3	T39 R41 T45 F46 L47 K87 H90 V91	T39-Y43 WeakPolarHBondContact O-CB 3.03Å; T39-Y43 PolarHBondContact O-N 2.94Å; R41-Y43 VanDerWaalsContact C-N 3.26Å; R41-Y43 PolarHBondContact O-N 3.33Å; Y43-T45 VanDerWaalsContact C-N 3.27Å; Y43-T45 PolarHBondContact O-N 2.91Å; Y43-F46 WeakPolarHBondContact O-CB 3.48Å; Y43-F46 PolarHBondContact O-N 2.99Å; Y43-L47 HydrophobicContact CD1-CD1 4.16Å; Y43-L47 HydrophobicContact CE1-CD1 3.59Å; Y43-L47 HydrophobicContact CE1-CG 4.27Å; Y43-L47 WeakPolarHBondContact O-CG 3.42Å; Y43-L47 PolarHBondContact O-N 3.38Å; Y43-K87 HydrophobicContact CD1-CD 3.68Å; Y43-K87 HydrophobicContact CD1-CG 4.3Å; Y43-K87 HydrophobicContact CD2-CB 4.28Å; Y43-K87 HydrophobicContact CD2-CD 3.92Å; Y43-K87 HydrophobicContact CD2-CG 4.36Å; Y43-K87 HydrophobicContact CE1-CD 3.71Å; Y43-K87 HydrophobicContact CE1-CG 3.81Å; Y43-K87 HydrophobicContact CE2-CB 3.72Å; Y43-K87 HydrophobicContact CE2-CD 3.97Å; Y43-K87 HydrophobicContact CE2-CG 3.89Å; Y43-K87 HydrophobicContact CG-CD 3.77Å; Y43-H90 AromaticContact CZ-ND1 3.91Å; Y43-H90 PolarHBondContact OH-ND1 3Å; Y43-V91 HydrophobicContact CE2-CG2 4.33Å
44	Q	88.4	Confident	84.5	Confident	84 Å²	84	38.8 Å²	38.8	39%	0.393	21%	0.211	S	C	.	.	H	α-helix	trans	-61.9	-36.6	175.6	-74.4	175.1	4.8	0	0	112.3	T40 R41 L47 R48	T40-Q44 VanDerWaalsContact O-CG 3.27Å; T40-Q44 WeakPolarHBondContact O-CG 3.16Å; T40-Q44 PolarHBondContact O-N 2.92Å; R41-Q44 PolarHBondContact O-N 2.9Å; Q44-L47 PolarHBondContact O-N 3.13Å; Q44-R48 PolarHBondContact O-N 3.25Å
45	T	88.2	Confident	82.9	Confident	3 Å²	3	42.2 Å²	42.2	2%	0.018	23%	0.23	C	C	.	.	H	α-helix	trans	-65.8	-46	175.9	-57.1	0	0	0	0	110.7	L26 Y29 L30 R41 A42 Y43 L47 R48 Y49 M279	L26-T45 HydrophobicContact CD1-CG2 3.9Å; Y29-T45 HydrophobicContact CD1-CG2 3.86Å; Y29-T45 HydrophobicContact CE1-CG2 3.74Å; L30-T45 HydrophobicContact CD2-CG2 4.22Å; R41-T45 WeakPolarHBondContact O-CB 3.44Å; R41-T45 PolarHBondContact O-N 3.42Å; R41-T45 PolarHBondContact O-OG1 3.4Å; A42-T45 WeakPolarHBondContact O-CB 3.26Å; A42-T45 PolarHBondContact O-N 3.05Å; Y43-T45 VanDerWaalsContact C-N 3.27Å; Y43-T45 PolarHBondContact O-N 2.91Å; T45-L47 VanDerWaalsContact C-N 3.31Å; T45-L47 PolarHBondContact O-N 2.91Å; T45-R48 PolarHBondContact O-N 3.4Å; T45-R48 VanDerWaalsContact O-N 3.16Å; T45-Y49 HydrophobicContact CG2-CD2 3.64Å; T45-Y49 HydrophobicContact CG2-CE2 3.8Å; T45-Y49 VanDerWaalsContact O-CD2 3.29Å; T45-Y49 WeakPolarHBondContact O-CD2 3.26Å; T45-Y49 PolarHBondContact O-N 3.01Å; T45-Y49 VanDerWaalsContact O-N 3.13Å; T45-M279 HydrophobicContact CG2-CG 3.86Å; T45-M279 HydrophobicContact CG2-SD 4.43Å
46	F	89.2	Confident	81.7	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-51.9	-49.8	172.6	167.5	-91.8	0	0	0	111.1	A42 Y43 R48 Y49 I50 F70 V73 V91 V94	A42-F46 PolarHBondContact O-N 3.36Å; Y43-F46 WeakPolarHBondContact O-CB 3.48Å; Y43-F46 PolarHBondContact O-N 2.99Å; F46-R48 PolarHBondContact O-N 3.33Å; F46-Y49 PolarHBondContact O-N 3.28Å; F46-I50 HydrophobicContact CB-CD1 4.33Å; F46-I50 HydrophobicContact CD2-CB 4.34Å; F46-I50 HydrophobicContact CD2-CD1 3.16Å; F46-I50 HydrophobicContact CD2-CG1 4.33Å; F46-I50 HydrophobicContact CE2-CB 4.27Å; F46-I50 HydrophobicContact CE2-CD1 3.6Å; F46-I50 HydrophobicContact CE2-CG2 4.07Å; F46-I50 HydrophobicContact CG-CD1 3.95Å; F46-I50 HydrophobicContact CZ-CG2 4.38Å; F46-I50 VanDerWaalsContact O-CB 3.26Å; F46-I50 WeakPolarHBondContact O-CB 3.29Å; F46-I50 PolarHBondContact O-N 3.22Å; F46-F70 AromaticContact CE2-CD1 3.92Å; F46-F70 HydrophobicContact CE2-CD1 3.92Å; F46-F70 AromaticContact CE2-CE1 3.97Å; F46-F70 HydrophobicContact CE2-CE1 3.97Å; F46-F70 HydrophobicContact CZ-CD1 4.07Å; F46-F70 AromaticContact CZ-CE1 3.99Å; F46-F70 HydrophobicContact CZ-CE1 3.99Å; F46-V73 HydrophobicContact CB-CG2 4.12Å; F46-V73 HydrophobicContact CD2-CB 4.39Å; F46-V73 HydrophobicContact CD2-CG1 4.46Å; F46-V73 HydrophobicContact CD2-CG2 3.63Å; F46-V73 HydrophobicContact CE2-CG2 4.38Å; F46-V73 HydrophobicContact CG-CG1 4.4Å; F46-V73 HydrophobicContact CG-CG2 4.07Å; F46-V91 HydrophobicContact CE1-CG2 3.97Å; F46-V91 HydrophobicContact CZ-CB 4.44Å; F46-V91 HydrophobicContact CZ-CG1 4.17Å; F46-V91 HydrophobicContact CZ-CG2 4.16Å; F46-V94 HydrophobicContact CE1-CB 4.42Å; F46-V94 HydrophobicContact CE1-CG1 4.48Å; F46-V94 HydrophobicContact CE1-CG2 4.33Å; F46-V94 HydrophobicContact CZ-CB 4.06Å; F46-V94 HydrophobicContact CZ-CG1 3.96Å; F46-V94 HydrophobicContact CZ-CG2 4.46Å
47	L	87.2	Confident	80.2	Confident	38 Å²	38	53.3 Å²	53.3	20%	0.199	27%	0.265	C	S	.	.	H	α-helix	trans	-63.6	-39.9	179	-64.5	-178.2	0	0	0	113.2	Y43 Q44 T45 Y49 H51 T54 H90	Y43-L47 HydrophobicContact CD1-CD1 4.16Å; Y43-L47 HydrophobicContact CE1-CD1 3.59Å; Y43-L47 HydrophobicContact CE1-CG 4.27Å; Y43-L47 WeakPolarHBondContact O-CG 3.42Å; Y43-L47 PolarHBondContact O-N 3.38Å; Q44-L47 PolarHBondContact O-N 3.13Å; T45-L47 VanDerWaalsContact C-N 3.31Å; T45-L47 PolarHBondContact O-N 2.91Å; L47-Y49 VanDerWaalsContact C-N 3.35Å; L47-Y49 PolarHBondContact O-N 2.8Å; L47-H51 HydrophobicContact CB-CB 4.47Å; L47-H51 HydrophobicContact CD2-CB 4.26Å; L47-H51 WeakPolarHBondContact O-CB 3.39Å; L47-H51 PolarHBondContact O-N 2.92Å; L47-T54 WeakPolarHBondContact O-CG2 2.93Å; L47-T54 PolarHBondContact O-OG1 2.79Å; L47-T54 VanDerWaalsContact O-OG1 3.09Å; L47-H90 WeakPolarHBondContact CD2-CE1 3.42Å
48	R	84.1	Confident	79	Confident	69 Å²	69	61.6 Å²	61.6	26%	0.26	28%	0.278	S	S	.	.	H	α-helix	trans	-63	-39.7	-179.6	179.2	178.8	173.4	113.1	-5	112.9	Q44 T45 F46 T54 N57 K277 D924	Q44-R48 PolarHBondContact O-N 3.25Å; T45-R48 PolarHBondContact O-N 3.4Å; T45-R48 VanDerWaalsContact O-N 3.16Å; F46-R48 PolarHBondContact O-N 3.33Å; R48-T54 PolarHBondContact O-OG1 3.09Å; R48-N57 PolarHBondContact O-ND2 3.21Å; R48-K277 WeakPolarHBondContact CD-O 3.47Å; R48-D924 IonicContact NH2-OD2 2.71Å; R48-D924 PolarHBondContact NH2-OD2 2.93Å
49	Y	83.9	Confident	77.6	Confident	1 Å²	1	60.9 Å²	60.9	0%	0.004	28%	0.277	C	S	.	.	H	α-helix	trans	-101.2	-19.4	-170.8	-70.6	-72.6	0	0	0	114.3	L26 T45 F46 L47 S59 A60 M279 F922 D924	L26-Y49 HydrophobicContact CD1-CD2 4.06Å; L26-Y49 HydrophobicContact CD1-CG 4.38Å; T45-Y49 HydrophobicContact CG2-CD2 3.64Å; T45-Y49 HydrophobicContact CG2-CE2 3.8Å; T45-Y49 VanDerWaalsContact O-CD2 3.29Å; T45-Y49 WeakPolarHBondContact O-CD2 3.26Å; T45-Y49 PolarHBondContact O-N 3.01Å; T45-Y49 VanDerWaalsContact O-N 3.13Å; F46-Y49 PolarHBondContact O-N 3.28Å; L47-Y49 VanDerWaalsContact C-N 3.35Å; L47-Y49 PolarHBondContact O-N 2.8Å; Y49-S59 VanDerWaalsContact CD1-OG 3.25Å; Y49-S59 WeakPolarHBondContact CD1-OG 3.23Å; Y49-S59 WeakPolarHBondContact CE1-OG 2.85Å; Y49-A60 WeakPolarHBondContact O-CA 2.76Å; Y49-M279 HydrophobicContact CD2-SD 4.42Å; Y49-M279 HydrophobicContact CE2-CG 3.83Å; Y49-M279 HydrophobicContact CE2-SD 3.97Å; Y49-F922 HydrophobicContact CD1-CD1 4.1Å; Y49-F922 AromaticContact CD1-CE1 3.87Å; Y49-F922 HydrophobicContact CD1-CE1 3.87Å; Y49-F922 AromaticContact CE1-CD1 3.64Å; Y49-F922 HydrophobicContact CE1-CD1 3.64Å; Y49-F922 AromaticContact CE1-CE1 3.89Å; Y49-F922 HydrophobicContact CE1-CE1 3.89Å; Y49-F922 HydrophobicContact CE1-CG 4.2Å; Y49-D924 PolarHBondContact OH-OD2 3.09Å
50	I	83.8	Confident	76	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-119	-30.3	-171.4	-56.7	158	0	0	0	111.8	L26 F46 F64 L69 F70 V94 K98	L26-I50 HydrophobicContact CD2-CD1 3.89Å; L26-I50 HydrophobicContact CD2-CG1 3.94Å; F46-I50 HydrophobicContact CB-CD1 4.33Å; F46-I50 HydrophobicContact CD2-CB 4.34Å; F46-I50 HydrophobicContact CD2-CD1 3.16Å; F46-I50 HydrophobicContact CD2-CG1 4.33Å; F46-I50 HydrophobicContact CE2-CB 4.27Å; F46-I50 HydrophobicContact CE2-CD1 3.6Å; F46-I50 HydrophobicContact CE2-CG2 4.07Å; F46-I50 HydrophobicContact CG-CD1 3.95Å; F46-I50 HydrophobicContact CZ-CG2 4.38Å; F46-I50 VanDerWaalsContact O-CB 3.26Å; F46-I50 WeakPolarHBondContact O-CB 3.29Å; F46-I50 PolarHBondContact O-N 3.22Å; I50-F64 HydrophobicContact CG1-CD2 4.34Å; I50-L69 HydrophobicContact CD1-CD1 4.18Å; I50-L69 HydrophobicContact CD1-CD2 3.39Å; I50-L69 HydrophobicContact CD1-CG 3.76Å; I50-L69 HydrophobicContact CG1-CD2 3.88Å; I50-F70 HydrophobicContact CG2-CE1 4.3Å; I50-F70 HydrophobicContact CG2-CZ 3.93Å; I50-V94 HydrophobicContact CG2-CG1 3.85Å; I50-K98 HydrophobicContact CG2-CD 3.99Å; I50-K98 WeakPolarHBondContact O-CE 3.48Å; I50-K98 PolarHBondContact O-NZ 3.2Å
51	H	81.3	Confident	74.6	Confident	19 Å²	19	64.9 Å²	64.9	9%	0.088	28%	0.282	C	S	.	.			trans	-68.6	132	-171.7	-170.4	-84.7	0	0	0	113.2	L47 K53 T54 H90	L47-H51 HydrophobicContact CB-CB 4.47Å; L47-H51 HydrophobicContact CD2-CB 4.26Å; L47-H51 WeakPolarHBondContact O-CB 3.39Å; L47-H51 PolarHBondContact O-N 2.92Å; H51-K53 VanDerWaalsContact C-N 3.34Å; H51-K53 VanDerWaalsContact CE1-CB 3.42Å; H51-K53 WeakPolarHBondContact CE1-CB 3.49Å; H51-K53 VanDerWaalsContact CE1-CG 3.45Å; H51-K53 WeakPolarHBondContact CE1-CG 3.29Å; H51-K53 PolarHBondContact CE1-N 3.18Å; H51-K53 WeakPolarHBondContact ND1-CB 3.44Å; H51-K53 PolarHBondContact ND1-N 3.21Å; H51-K53 PolarHBondContact O-N 3Å; H51-T54 HydrophobicContact CB-CG2 4.41Å; H51-T54 PolarHBondContact O-N 3.22Å; H51-T54 PolarHBondContact O-OG1 3.14Å; H51-H90 AromaticContact CD2-CE1 3.78Å; H51-H90 AromaticContact CD2-NE2 3.08Å; H51-H90 PolarHBondContact CD2-NE2 3.2Å; H51-H90 AromaticContact NE2-CE1 3.95Å; H51-H90 AromaticContact NE2-NE2 3.08Å; H51-H90 PolarHBondContact NE2-NE2 2.98Å
52	P	71.2	Confident	73.6	Confident	39 Å²	39	64.4 Å²	64.4	25%	0.253	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-59.6	-34.5	-178.8	-27.1	35.7	0	0	0	114.8	T54 L55 M97	P52-T54 PolarHBondContact O-N 3.15Å; P52-T54 VanDerWaalsContact O-N 3.12Å; P52-L55 WeakPolarHBondContact O-CB 3.31Å; P52-L55 WeakPolarHBondContact O-CD1 3.49Å; P52-L55 WeakPolarHBondContact O-CG 3.19Å; P52-L55 PolarHBondContact O-N 2.78Å; P52-M97 HydrophobicContact CG-CB 4.11Å; P52-M97 HydrophobicContact CG-SD 3.89Å
53	K	70.6	Confident	72.7	Confident	188 Å²	188	69 Å²	69	82%	0.817	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-66.5	-11.2	175.8	-62	176.5	-170.5	174.7	0	114.1	H51	H51-K53 VanDerWaalsContact C-N 3.34Å; H51-K53 VanDerWaalsContact CE1-CB 3.42Å; H51-K53 WeakPolarHBondContact CE1-CB 3.49Å; H51-K53 VanDerWaalsContact CE1-CG 3.45Å; H51-K53 WeakPolarHBondContact CE1-CG 3.29Å; H51-K53 PolarHBondContact CE1-N 3.18Å; H51-K53 WeakPolarHBondContact ND1-CB 3.44Å; H51-K53 PolarHBondContact ND1-N 3.21Å; H51-K53 PolarHBondContact O-N 3Å
54	T	65.4	Low	72.2	Confident	40 Å²	40	67.8 Å²	67.8	25%	0.245	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-96	14.9	176.7	62.5	0	0	0	0	113.5	L47 R48 H51 P52 R56 N57 A60	L47-T54 WeakPolarHBondContact O-CG2 2.93Å; L47-T54 PolarHBondContact O-OG1 2.79Å; L47-T54 VanDerWaalsContact O-OG1 3.09Å; R48-T54 PolarHBondContact O-OG1 3.09Å; H51-T54 HydrophobicContact CB-CG2 4.41Å; H51-T54 PolarHBondContact O-N 3.22Å; H51-T54 PolarHBondContact O-OG1 3.14Å; P52-T54 PolarHBondContact O-N 3.15Å; P52-T54 VanDerWaalsContact O-N 3.12Å; T54-R56 PolarHBondContact O-N 2.79Å; T54-N57 PolarHBondContact O-N 3.17Å; T54-A60 WeakPolarHBondContact O-CB 3.18Å
55	L	57	Low	71.9	Confident	87 Å²	87	66.8 Å²	66.8	46%	0.455	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-7.8	179.2	-82.1	165.1	0	0	0	116.6	P52 N57 R61	P52-L55 WeakPolarHBondContact O-CB 3.31Å; P52-L55 WeakPolarHBondContact O-CD1 3.49Å; P52-L55 WeakPolarHBondContact O-CG 3.19Å; P52-L55 PolarHBondContact O-N 2.78Å; L55-N57 PolarHBondContact O-N 2.94Å; L55-R61 HydrophobicContact CD2-CB 4.41Å; L55-R61 HydrophobicContact CD2-CG 3.75Å; L55-R61 PolarHBondContact O-NE 2.95Å; L55-R61 PolarHBondContact O-NH2 3.44Å
56	R	59.6	Low	71.7	Confident	242 Å²	242	68.9 Å²	68.9	91%	0.913	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-27.5	165.8	-68.8	-171.9	179.6	-174.8	0.5	111.6	T54	T54-R56 PolarHBondContact O-N 2.79Å
57	N	57.2	Low	71.6	Confident	55 Å²	55	70.5 Å²	70.5	29%	0.294	32%	0.324	S	S	.	.	S	Bend	trans	-80.5	129.9	174.4	-73.6	-28.3	0	0	0	111.5	R48 T54 L55 S59 A60 R61	R48-N57 PolarHBondContact O-ND2 3.21Å; T54-N57 PolarHBondContact O-N 3.17Å; L55-N57 PolarHBondContact O-N 2.94Å; N57-S59 PolarHBondContact O-N 2.62Å; N57-S59 VanDerWaalsContact O-N 3.15Å; N57-A60 HydrophobicContact CB-CB 4.17Å; N57-A60 PolarHBondContact O-N 3.25Å; N57-R61 PolarHBondContact O-N 3.45Å
58	R	60.7	Low	71.7	Confident	231 Å²	231	71.9 Å²	71.9	87%	0.872	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-33.6	176.1	-171.7	180	-178	179.3	2.2	112.6	R61	R58-R61 WeakPolarHBondContact O-CB 3.33Å; R58-R61 PolarHBondContact O-N 2.88Å
59	S	58	Low	71.9	Confident	24 Å²	24	68.6 Å²	68.6	17%	0.168	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-33.2	178	46.5	0	0	0	0	113.8	Y49 N57 R61 A62 F64	Y49-S59 VanDerWaalsContact CD1-OG 3.25Å; Y49-S59 WeakPolarHBondContact CD1-OG 3.23Å; Y49-S59 WeakPolarHBondContact CE1-OG 2.85Å; N57-S59 PolarHBondContact O-N 2.62Å; N57-S59 VanDerWaalsContact O-N 3.15Å; S59-R61 PolarHBondContact O-N 3.28Å; S59-A62 WeakPolarHBondContact O-CB 3.45Å; S59-A62 PolarHBondContact O-N 3.38Å; S59-F64 WeakPolarHBondContact O-CE2 3.25Å
60	A	55.2	Low	72.4	Confident	5 Å²	5	68.5 Å²	68.5	4%	0.041	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-21.9	173.2	0	0	0	0	0	112.7	Y49 T54 N57 A62	Y49-A60 WeakPolarHBondContact O-CA 2.76Å; T54-A60 WeakPolarHBondContact O-CB 3.18Å; N57-A60 HydrophobicContact CB-CB 4.17Å; N57-A60 PolarHBondContact O-N 3.25Å; A60-A62 VanDerWaalsContact C-N 3.28Å
61	R	57.7	Low	72.8	Confident	176 Å²	176	68.9 Å²	68.9	66%	0.664	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-7.3	171	-56.9	178.6	-173.2	-179.9	-0.5	113.4	L55 N57 R58 S59	L55-R61 HydrophobicContact CD2-CB 4.41Å; L55-R61 HydrophobicContact CD2-CG 3.75Å; L55-R61 PolarHBondContact O-NE 2.95Å; L55-R61 PolarHBondContact O-NH2 3.44Å; N57-R61 PolarHBondContact O-N 3.45Å; R58-R61 WeakPolarHBondContact O-CB 3.33Å; R58-R61 PolarHBondContact O-N 2.88Å; S59-R61 PolarHBondContact O-N 3.28Å
62	A	67.2	Low	73.2	Confident	27 Å²	27	68.8 Å²	68.8	22%	0.223	32%	0.319	C	S	.	.	S	Bend	trans	-75.8	149	177.6	0	0	0	0	0	111.3	S59 A60 F64	S59-A62 WeakPolarHBondContact O-CB 3.45Å; S59-A62 PolarHBondContact O-N 3.38Å; A60-A62 VanDerWaalsContact C-N 3.28Å; A62-F64 VanDerWaalsContact C-N 3.26Å; A62-F64 HydrophobicContact CB-CD1 4.26Å; A62-F64 HydrophobicContact CB-CD2 4.36Å; A62-F64 HydrophobicContact CB-CE1 3.78Å; A62-F64 HydrophobicContact CB-CE2 3.9Å; A62-F64 HydrophobicContact CB-CZ 3.59Å; A62-F64 PolarHBondContact O-N 2.94Å
63	N	71.4	Confident	74.3	Confident	96 Å²	96	66.9 Å²	66.9	51%	0.513	31%	0.307	S	S	.	.			trans	-79.9	66.8	-175.9	-165.3	39.3	0	0	0	112	N65	N63-N65 VanDerWaalsContact C-N 3.32Å; N63-N65 PolarHBondContact O-N 3.2Å; N63-N65 VanDerWaalsContact O-N 3.11Å; N63-N65 PolarHBondContact OD1-ND2 3.04Å; N63-N65 PolarHBondContact OD1-OD1 2.88Å
64	F	79.3	Confident	75.4	Confident	0 Å²	0	58 Å²	58	0%	0	27%	0.268	C	S	.	.			trans	-84.1	71.5	176.2	-58.6	-35.1	0	0	0	111.6	P22 L23 L26 I50 S59 A62 L69 F922	P22-F64 HydrophobicContact CB-CE1 3.79Å; P22-F64 HydrophobicContact CB-CZ 3.61Å; L23-F64 HydrophobicContact CB-CD1 3.96Å; L23-F64 HydrophobicContact CB-CE1 4.06Å; L23-F64 HydrophobicContact CD1-CB 4.45Å; L23-F64 HydrophobicContact CD1-CD1 4.14Å; L26-F64 HydrophobicContact CD2-CD2 4.24Å; L26-F64 HydrophobicContact CD2-CE2 4.27Å; I50-F64 HydrophobicContact CG1-CD2 4.34Å; S59-F64 WeakPolarHBondContact O-CE2 3.25Å; A62-F64 VanDerWaalsContact C-N 3.26Å; A62-F64 HydrophobicContact CB-CD1 4.26Å; A62-F64 HydrophobicContact CB-CD2 4.36Å; A62-F64 HydrophobicContact CB-CE1 3.78Å; A62-F64 HydrophobicContact CB-CE2 3.9Å; A62-F64 HydrophobicContact CB-CZ 3.59Å; A62-F64 PolarHBondContact O-N 2.94Å; F64-L69 HydrophobicContact CB-CD2 3.9Å; F64-F922 HydrophobicContact CZ-CE1 4.37Å; F64-F922 HydrophobicContact CZ-CZ 4.43Å
65	N	81.3	Confident	76.5	Confident	62 Å²	62	59 Å²	59	33%	0.332	27%	0.267	S	S	.	.			trans	-103.9	20.1	-176.4	-66.6	4.9	0	0	0	113.5	N63 P67 K98 V100	N63-N65 VanDerWaalsContact C-N 3.32Å; N63-N65 PolarHBondContact O-N 3.2Å; N63-N65 VanDerWaalsContact O-N 3.11Å; N63-N65 PolarHBondContact OD1-ND2 3.04Å; N63-N65 PolarHBondContact OD1-OD1 2.88Å; N65-P67 WeakPolarHBondContact O-CD 3.38Å; N65-K98 PolarHBondContact ND2-O 3.07Å; N65-V100 HydrophobicContact CB-CG2 3.89Å
66	D	83.8	Confident	78.1	Confident	48 Å²	48	55 Å²	55	26%	0.257	25%	0.248	S	C	.	.			trans	-82.3	119.5	-178.5	-171	-28.5	0	0	0	110.9	L23 K27 E68 L69 F70	L23-D66 HydrophobicContact CD1-CB 4.19Å; L23-D66 HydrophobicContact CD2-CB 3.76Å; K27-D66 WeakPolarHBondContact CE-OD2 3.31Å; K27-D66 IonicContact NZ-OD1 2.72Å; K27-D66 IonicContact NZ-OD2 2.64Å; K27-D66 PolarHBondContact NZ-OD2 3.4Å; D66-E68 PolarHBondContact O-N 3.08Å; D66-E68 VanDerWaalsContact OD1-CB 3.29Å; D66-E68 WeakPolarHBondContact OD1-CB 3.36Å; D66-E68 PolarHBondContact OD1-N 3.08Å; D66-L69 WeakPolarHBondContact O-CB 3.41Å; D66-L69 PolarHBondContact O-N 2.88Å; D66-L69 VanDerWaalsContact O-N 3.14Å; D66-F70 WeakPolarHBondContact O-CD2 3.29Å
67	P	88.3	Confident	79.7	Confident	33 Å²	33	43.7 Å²	43.7	21%	0.214	21%	0.205	C	C	.	.	H	α-helix	trans	-53.8	-33.4	178	-24.4	33.2	0	0	0	114.1	N65 L69 F70 N71 M95 V100 K101	N65-P67 WeakPolarHBondContact O-CD 3.38Å; P67-L69 PolarHBondContact O-N 3.39Å; P67-F70 PolarHBondContact O-N 2.67Å; P67-N71 VanDerWaalsContact O-CG 3.28Å; P67-N71 PolarHBondContact O-N 2.81Å; P67-N71 PolarHBondContact O-ND2 3.1Å; P67-M95 HydrophobicContact CB-CE 4.36Å; P67-V100 HydrophobicContact CB-CG1 4.05Å; P67-V100 HydrophobicContact CG-CG1 3.78Å; P67-K101 WeakPolarHBondContact CG-O 3.49Å
68	E	87.7	Confident	81.1	Confident	67 Å²	67	42.4 Å²	42.4	31%	0.313	20%	0.202	S	C	.	.	H	α-helix	trans	-58.7	-36.9	-179.3	-171.4	-175.5	171.4	0	0	111.6	K27 D66 F70 N71 I72	K27-E68 IonicContact NZ-OE2 3.1Å; K27-E68 PolarHBondContact NZ-OE2 3.26Å; D66-E68 PolarHBondContact O-N 3.08Å; D66-E68 VanDerWaalsContact OD1-CB 3.29Å; D66-E68 WeakPolarHBondContact OD1-CB 3.36Å; D66-E68 PolarHBondContact OD1-N 3.08Å; E68-F70 VanDerWaalsContact C-N 3.29Å; E68-F70 PolarHBondContact O-N 3.17Å; E68-N71 PolarHBondContact O-N 2.9Å; E68-I72 HydrophobicContact CG-CD1 4.22Å; E68-I72 WeakPolarHBondContact O-CD1 3.32Å; E68-I72 VanDerWaalsContact O-CG1 3.23Å; E68-I72 WeakPolarHBondContact O-CG1 3.32Å; E68-I72 PolarHBondContact O-N 2.88Å
69	L	89.5	Confident	82.1	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.5	-39.5	177.8	-177.1	65.1	0	0	0	112.3	L23 L26 K27 L30 I50 F64 D66 P67	L23-L69 HydrophobicContact CD1-CB 4.25Å; L23-L69 HydrophobicContact CD1-CD1 4.38Å; L23-L69 HydrophobicContact CD1-CD2 3.8Å; L23-L69 HydrophobicContact CD1-CG 4.39Å; L26-L69 HydrophobicContact CD2-CD1 4.02Å; L26-L69 HydrophobicContact CD2-CD2 4.19Å; L26-L69 HydrophobicContact CG-CD1 3.95Å; K27-L69 HydrophobicContact CG-CD1 3.95Å; L30-L69 HydrophobicContact CD1-CD1 3.68Å; I50-L69 HydrophobicContact CD1-CD1 4.18Å; I50-L69 HydrophobicContact CD1-CD2 3.39Å; I50-L69 HydrophobicContact CD1-CG 3.76Å; I50-L69 HydrophobicContact CG1-CD2 3.88Å; F64-L69 HydrophobicContact CB-CD2 3.9Å; D66-L69 WeakPolarHBondContact O-CB 3.41Å; D66-L69 PolarHBondContact O-N 2.88Å; D66-L69 VanDerWaalsContact O-N 3.14Å; P67-L69 PolarHBondContact O-N 3.39Å
70	F	93.6	Very high	83.1	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-75.3	-40.6	178.8	-64.9	-99.7	0	0	0	110.7	F46 I50 D66 P67 E68 I72 V73 L74 V91 V94 M95 K98 V100	F46-F70 AromaticContact CE2-CD1 3.92Å; F46-F70 HydrophobicContact CE2-CD1 3.92Å; F46-F70 AromaticContact CE2-CE1 3.97Å; F46-F70 HydrophobicContact CE2-CE1 3.97Å; F46-F70 HydrophobicContact CZ-CD1 4.07Å; F46-F70 AromaticContact CZ-CE1 3.99Å; F46-F70 HydrophobicContact CZ-CE1 3.99Å; I50-F70 HydrophobicContact CG2-CE1 4.3Å; I50-F70 HydrophobicContact CG2-CZ 3.93Å; D66-F70 WeakPolarHBondContact O-CD2 3.29Å; P67-F70 PolarHBondContact O-N 2.67Å; E68-F70 VanDerWaalsContact C-N 3.29Å; E68-F70 PolarHBondContact O-N 3.17Å; F70-I72 VanDerWaalsContact C-N 3.33Å; F70-I72 PolarHBondContact O-N 2.92Å; F70-V73 PolarHBondContact O-N 3.39Å; F70-L74 WeakPolarHBondContact O-CG 3.3Å; F70-L74 PolarHBondContact O-N 3.21Å; F70-V91 HydrophobicContact CB-CG1 4.4Å; F70-V91 HydrophobicContact CD1-CG1 4.08Å; F70-V94 HydrophobicContact CE1-CB 4.3Å; F70-V94 HydrophobicContact CE1-CG1 3.91Å; F70-V94 HydrophobicContact CZ-CG1 4.44Å; F70-M95 HydrophobicContact CB-CE 4.39Å; F70-M95 HydrophobicContact CB-CG 4.46Å; F70-M95 HydrophobicContact CB-SD 4.2Å; F70-M95 HydrophobicContact CD1-CB 3.72Å; F70-M95 HydrophobicContact CD1-CG 3.86Å; F70-M95 HydrophobicContact CD2-CG 4.48Å; F70-M95 HydrophobicContact CE1-CB 3.87Å; F70-M95 HydrophobicContact CE1-CG 4.21Å; F70-M95 HydrophobicContact CG-CB 4.38Å; F70-M95 HydrophobicContact CG-CG 4.01Å; F70-M95 HydrophobicContact CG-SD 4.39Å; F70-K98 HydrophobicContact CZ-CD 4.36Å; F70-V100 HydrophobicContact CD2-CB 4.44Å; F70-V100 HydrophobicContact CD2-CG1 3.89Å; F70-V100 HydrophobicContact CD2-CG2 4.43Å; F70-V100 HydrophobicContact CE2-CB 4.11Å; F70-V100 HydrophobicContact CE2-CG1 3.95Å; F70-V100 HydrophobicContact CE2-CG2 3.66Å; F70-V100 HydrophobicContact CZ-CB 4.43Å; F70-V100 HydrophobicContact CZ-CG2 3.93Å
71	N	92.2	Very high	84	Confident	7 Å²	7	39.4 Å²	39.4	4%	0.037	23%	0.228	C	C	.	.	H	α-helix	trans	-63.4	-37.5	177.6	-64.8	-23.9	0	0	0	112.2	P67 E68 V73 L74 R75 N103 D105 T106	P67-N71 VanDerWaalsContact O-CG 3.28Å; P67-N71 PolarHBondContact O-N 2.81Å; P67-N71 PolarHBondContact O-ND2 3.1Å; E68-N71 PolarHBondContact O-N 2.9Å; N71-V73 PolarHBondContact O-N 2.86Å; N71-L74 PolarHBondContact O-N 3.33Å; N71-R75 WeakPolarHBondContact O-CB 3.35Å; N71-R75 PolarHBondContact O-N 2.94Å; N71-N103 PolarHBondContact ND2-OD1 3.21Å; N71-D105 HydrophobicContact CB-CB 4.13Å; N71-D105 VanDerWaalsContact ND2-CB 3.28Å; N71-D105 WeakPolarHBondContact ND2-CB 3.48Å; N71-T106 WeakPolarHBondContact OD1-CA 3.47Å; N71-T106 WeakPolarHBondContact OD1-CB 3.4Å; N71-T106 PolarHBondContact OD1-N 3.27Å; N71-T106 PolarHBondContact OD1-OG1 2.88Å
72	I	91.2	Very high	85	Confident	17 Å²	17	38 Å²	38	9%	0.087	23%	0.229	C	C	.	.	H	α-helix	trans	-55.4	-42.8	171.6	-72.3	160.1	0	0	0	110.7	K27 L30 Q31 F34 E68 F70 G76	K27-I72 HydrophobicContact CB-CD1 3.84Å; K27-I72 HydrophobicContact CD-CD1 4.29Å; K27-I72 HydrophobicContact CG-CD1 3.77Å; L30-I72 HydrophobicContact CB-CG2 3.82Å; Q31-I72 HydrophobicContact CB-CG2 4.49Å; Q31-I72 HydrophobicContact CG-CB 4.38Å; Q31-I72 HydrophobicContact CG-CD1 3.7Å; Q31-I72 HydrophobicContact CG-CG1 3.74Å; Q31-I72 HydrophobicContact CG-CG2 3.67Å; F34-I72 HydrophobicContact CD2-CG2 4.18Å; F34-I72 HydrophobicContact CE2-CG2 4.34Å; E68-I72 HydrophobicContact CG-CD1 4.22Å; E68-I72 WeakPolarHBondContact O-CD1 3.32Å; E68-I72 VanDerWaalsContact O-CG1 3.23Å; E68-I72 WeakPolarHBondContact O-CG1 3.32Å; E68-I72 PolarHBondContact O-N 2.88Å; F70-I72 VanDerWaalsContact C-N 3.33Å; F70-I72 PolarHBondContact O-N 2.92Å; I72-G76 PolarHBondContact O-N 3.25Å
73	V	93.6	Very high	85.5	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-73.2	-46.3	-179.5	178.7	0	0	0	0	111.8	L30 F34 F46 F70 N71 R75 G76 L77 V91	L30-V73 HydrophobicContact CD1-CG2 4.06Å; F34-V73 HydrophobicContact CE2-CB 4.32Å; F34-V73 HydrophobicContact CE2-CG2 4.12Å; F34-V73 HydrophobicContact CZ-CB 4.35Å; F34-V73 HydrophobicContact CZ-CG1 4.14Å; F34-V73 HydrophobicContact CZ-CG2 4.43Å; F46-V73 HydrophobicContact CB-CG2 4.12Å; F46-V73 HydrophobicContact CD2-CB 4.39Å; F46-V73 HydrophobicContact CD2-CG1 4.46Å; F46-V73 HydrophobicContact CD2-CG2 3.63Å; F46-V73 HydrophobicContact CE2-CG2 4.38Å; F46-V73 HydrophobicContact CG-CG1 4.4Å; F46-V73 HydrophobicContact CG-CG2 4.07Å; F70-V73 PolarHBondContact O-N 3.39Å; N71-V73 PolarHBondContact O-N 2.86Å; V73-R75 PolarHBondContact O-N 3.13Å; V73-G76 PolarHBondContact O-N 3.2Å; V73-L77 HydrophobicContact CG1-CD1 4.29Å; V73-L77 VanDerWaalsContact O-CG 3.3Å; V73-L77 WeakPolarHBondContact O-CG 3.2Å; V73-L77 PolarHBondContact O-N 3.28Å; V73-V91 HydrophobicContact CG1-CG2 3.7Å
74	L	93.3	Very high	86.2	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60	-47.4	177.7	-69.2	173	0	0	0	111.3	F70 N71 L77 A78 V88 V91 L92 T106 L113	F70-L74 WeakPolarHBondContact O-CG 3.3Å; F70-L74 PolarHBondContact O-N 3.21Å; N71-L74 PolarHBondContact O-N 3.33Å; L74-L77 PolarHBondContact O-N 2.92Å; L74-A78 PolarHBondContact O-N 3.24Å; L74-A78 VanDerWaalsContact O-N 3.09Å; L74-V88 HydrophobicContact CD2-CG1 4.1Å; L74-V91 HydrophobicContact CD1-CG1 4.44Å; L74-V91 HydrophobicContact CD2-CB 3.92Å; L74-V91 HydrophobicContact CD2-CG1 3.75Å; L74-V91 HydrophobicContact CG-CG1 3.83Å; L74-L92 HydrophobicContact CD1-CD2 4.34Å; L74-T106 HydrophobicContact CD1-CG2 3.84Å; L74-L113 HydrophobicContact CB-CD1 4.43Å; L74-L113 HydrophobicContact CD2-CD1 4.3Å
75	R	89.3	Confident	86.7	Confident	61 Å²	61	42 Å²	42	23%	0.23	25%	0.252	C	S	.	.	H	α-helix	trans	-63.6	-42.7	176.4	-172.9	179.5	-179.4	-171	-0.1	112.1	N71 V73 L77 A78 S79 Q138 E143	N71-R75 WeakPolarHBondContact O-CB 3.35Å; N71-R75 PolarHBondContact O-N 2.94Å; V73-R75 PolarHBondContact O-N 3.13Å; R75-L77 VanDerWaalsContact C-N 3.27Å; R75-L77 PolarHBondContact O-N 3.24Å; R75-A78 WeakPolarHBondContact O-CA 3.34Å; R75-A78 VanDerWaalsContact O-CB 3.27Å; R75-A78 WeakPolarHBondContact O-CB 3.29Å; R75-A78 PolarHBondContact O-N 2.7Å; R75-S79 PolarHBondContact O-N 2.98Å; R75-Q138 VanDerWaalsContact CZ-O 3.24Å; R75-Q138 PolarHBondContact NH1-O 3.33Å; R75-Q138 PolarHBondContact NH2-O 3.24Å; R75-E143 IonicContact CZ-OE1 2.78Å; R75-E143 IonicContact NE-OE1 3.78Å; R75-E143 PolarHBondContact NE-OE1 3.09Å; R75-E143 IonicContact NH2-OE1 3.19Å; R75-E143 PolarHBondContact NH2-OE1 3.26Å; R75-E143 IonicContact NH2-OE2 3.7Å; R75-E143 PolarHBondContact NH2-OE2 2.63Å; R75-E143 VanDerWaalsContact NH2-OE2 3.08Å
76	G	90.1	Very high	87.1	Confident	4 Å²	4	48.2 Å²	48.2	4%	0.041	28%	0.276	C	S	.	.	H	α-helix	trans	-62	-33.1	176	0	0	0	0	0	113.8	F34 I72 V73 A78 S79 C80	F34-G76 VanDerWaalsContact CD1-C 3.41Å; F34-G76 WeakPolarHBondContact CD1-O 3.11Å; F34-G76 VanDerWaalsContact CE1-C 3.46Å; F34-G76 VanDerWaalsContact CG-CA 3.4Å; I72-G76 PolarHBondContact O-N 3.25Å; V73-G76 PolarHBondContact O-N 3.2Å; G76-A78 VanDerWaalsContact C-N 3.35Å; G76-S79 PolarHBondContact O-OG 3.3Å; G76-C80 PolarHBondContact O-SG 3.11Å
77	L	92	Very high	87.5	Confident	4 Å²	4	47.6 Å²	47.6	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-69.1	-34.1	170.7	-69.5	171.8	0	0	0	111.6	T39 V73 L74 R75 S79 C80 K87 V88 V91 L113	T39-L77 HydrophobicContact CG2-CD2 3.9Å; V73-L77 HydrophobicContact CG1-CD1 4.29Å; V73-L77 VanDerWaalsContact O-CG 3.3Å; V73-L77 WeakPolarHBondContact O-CG 3.2Å; V73-L77 PolarHBondContact O-N 3.28Å; L74-L77 PolarHBondContact O-N 2.92Å; R75-L77 VanDerWaalsContact C-N 3.27Å; R75-L77 PolarHBondContact O-N 3.24Å; L77-S79 VanDerWaalsContact C-N 3.29Å; L77-S79 PolarHBondContact O-N 3Å; L77-C80 WeakPolarHBondContact O-CB 3.26Å; L77-C80 PolarHBondContact O-N 2.56Å; L77-C80 PolarHBondContact O-SG 3.03Å; L77-K87 HydrophobicContact CD1-CB 3.95Å; L77-K87 HydrophobicContact CD2-CB 4.3Å; L77-K87 HydrophobicContact CD2-CD 3.99Å; L77-V88 HydrophobicContact CD1-CG2 4.34Å; L77-V91 HydrophobicContact CD1-CG2 4.4Å; L77-L113 HydrophobicContact CB-CD2 4.13Å
78	A	87.3	Confident	87.7	Confident	28 Å²	28	46 Å²	46	23%	0.231	26%	0.261	C	S	.	.	H	α-helix	trans	-66.3	-30.2	177.6	0	0	0	0	0	112.8	L74 R75 G76 C80 L112 L113	L74-A78 PolarHBondContact O-N 3.24Å; L74-A78 VanDerWaalsContact O-N 3.09Å; R75-A78 WeakPolarHBondContact O-CA 3.34Å; R75-A78 VanDerWaalsContact O-CB 3.27Å; R75-A78 WeakPolarHBondContact O-CB 3.29Å; R75-A78 PolarHBondContact O-N 2.7Å; G76-A78 VanDerWaalsContact C-N 3.35Å; A78-C80 PolarHBondContact O-N 3.32Å; A78-L112 HydrophobicContact CB-CB 3.84Å; A78-L113 HydrophobicContact CB-CD2 3.93Å; A78-L113 HydrophobicContact CB-CG 3.89Å
79	S	82.5	Confident	88	Confident	75 Å²	75	46.3 Å²	46.3	52%	0.524	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	1.8	179.6	62.7	0	0	0	0	114.8	R75 G76 L77 G81	R75-S79 PolarHBondContact O-N 2.98Å; G76-S79 PolarHBondContact O-OG 3.3Å; L77-S79 VanDerWaalsContact C-N 3.29Å; L77-S79 PolarHBondContact O-N 3Å; S79-G81 PolarHBondContact O-N 2.85Å
80	C	79.1	Confident	88.1	Confident	42 Å²	42	48.2 Å²	48.2	28%	0.284	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-3.1	-171.2	-63.5	0	0	0	0	115.5	T39 G76 L77 A78 E82	T39-C80 VanDerWaalsContact CB-SG 3.54Å; T39-C80 WeakPolarHBondContact CG2-SG 3.27Å; T39-C80 PolarHBondContact OG1-SG 2.99Å; G76-C80 PolarHBondContact O-SG 3.11Å; L77-C80 WeakPolarHBondContact O-CB 3.26Å; L77-C80 PolarHBondContact O-N 2.56Å; L77-C80 PolarHBondContact O-SG 3.03Å; A78-C80 PolarHBondContact O-N 3.32Å; C80-E82 PolarHBondContact O-N 3.17Å
81	G	72.8	Confident	88.1	Confident	80 Å²	80	48.2 Å²	48.2	83%	0.825	27%	0.271	S	S	*	.	S	Bend	trans	74.2	-41.3	-172.5	0	0	0	0	0	113.4	S79	S79-G81 PolarHBondContact O-N 2.85Å
82	E	79.4	Confident	88.1	Confident	146 Å²	146	49.1 Å²	49.1	68%	0.682	28%	0.275	S	S	*	.	S	Bend	trans	-103.3	121.2	174.5	-69.2	-178.5	179.2	0	0	112	C80	C80-E82 PolarHBondContact O-N 3.17Å
83	V	78	Confident	88.2	Confident	73 Å²	73	52 Å²	52	44%	0.442	29%	0.288	S	S	.	.			trans	-69.7	132.1	173.4	-178.5	0	0	0	0	109.1	P85 L113 F115	V83-P85 HydrophobicContact CG1-CG 4.3Å; V83-P85 VanDerWaalsContact O-CD 3.29Å; V83-P85 WeakPolarHBondContact O-CD 3.23Å; V83-L113 HydrophobicContact CG1-CD2 4.43Å; V83-L113 WeakPolarHBondContact CG1-O 3.46Å; V83-F115 HydrophobicContact CG1-CE2 4Å
84	Q	86.4	Confident	88	Confident	60 Å²	60	52 Å²	52	28%	0.28	29%	0.288	S	S	.	.			trans	-116.2	83.6	178.5	-67.3	-179.1	-5.1	0	0	110.4	K86 K87 V88	Q84-K86 VanDerWaalsContact C-N 3.3Å; Q84-K86 PolarHBondContact O-N 2.97Å; Q84-K86 VanDerWaalsContact O-N 3.16Å; Q84-K87 HydrophobicContact CB-CB 4.29Å; Q84-K87 HydrophobicContact CB-CD 4.27Å; Q84-K87 HydrophobicContact CB-CG 4.19Å; Q84-K87 PolarHBondContact O-N 3.37Å; Q84-V88 PolarHBondContact O-N 3.31Å
85	P	88.6	Confident	88	Confident	75 Å²	75	52.1 Å²	52.1	49%	0.487	29%	0.289	S	S	.	.	H	α-helix	trans	-56.3	-40.1	-167.6	-29.5	35.6	0	0	0	114.7	V83 K87 V88 Q89 F115	V83-P85 HydrophobicContact CG1-CG 4.3Å; V83-P85 VanDerWaalsContact O-CD 3.29Å; V83-P85 WeakPolarHBondContact O-CD 3.23Å; P85-K87 VanDerWaalsContact C-N 3.26Å; P85-K87 PolarHBondContact O-N 3.4Å; P85-V88 PolarHBondContact O-N 3.44Å; P85-Q89 PolarHBondContact O-N 3.25Å; P85-F115 HydrophobicContact CB-CZ 3.87Å; P85-F115 HydrophobicContact CG-CZ 4.47Å
86	K	91.4	Very high	88	Confident	192 Å²	192	56.7 Å²	56.7	84%	0.835	31%	0.313	S	S	*	.	H	α-helix	trans	-59.3	-36.9	177.8	-65.4	-175.1	179.5	180	0	112.4	Q84 H90	Q84-K86 VanDerWaalsContact C-N 3.3Å; Q84-K86 PolarHBondContact O-N 2.97Å; Q84-K86 VanDerWaalsContact O-N 3.16Å; K86-H90 VanDerWaalsContact O-CB 3.26Å; K86-H90 WeakPolarHBondContact O-CB 3.41Å; K86-H90 PolarHBondContact O-N 3.22Å; K86-H90 VanDerWaalsContact O-N 3.11Å
87	K	92.1	Very high	87.9	Confident	36 Å²	36	62 Å²	62	16%	0.157	34%	0.338	C	S	.	.	H	α-helix	trans	-73.1	-39.6	178.9	-64.7	-166.4	-176.1	166.4	0	111.5	Y43 L77 Q84 P85 H90 V91	Y43-K87 HydrophobicContact CD1-CD 3.68Å; Y43-K87 HydrophobicContact CD1-CG 4.3Å; Y43-K87 HydrophobicContact CD2-CB 4.28Å; Y43-K87 HydrophobicContact CD2-CD 3.92Å; Y43-K87 HydrophobicContact CD2-CG 4.36Å; Y43-K87 HydrophobicContact CE1-CD 3.71Å; Y43-K87 HydrophobicContact CE1-CG 3.81Å; Y43-K87 HydrophobicContact CE2-CB 3.72Å; Y43-K87 HydrophobicContact CE2-CD 3.97Å; Y43-K87 HydrophobicContact CE2-CG 3.89Å; Y43-K87 HydrophobicContact CG-CD 3.77Å; L77-K87 HydrophobicContact CD1-CB 3.95Å; L77-K87 HydrophobicContact CD2-CB 4.3Å; L77-K87 HydrophobicContact CD2-CD 3.99Å; Q84-K87 HydrophobicContact CB-CB 4.29Å; Q84-K87 HydrophobicContact CB-CD 4.27Å; Q84-K87 HydrophobicContact CB-CG 4.19Å; Q84-K87 PolarHBondContact O-N 3.37Å; P85-K87 VanDerWaalsContact C-N 3.26Å; P85-K87 PolarHBondContact O-N 3.4Å; K87-H90 PolarHBondContact O-N 2.98Å; K87-V91 WeakPolarHBondContact O-CG2 3.33Å; K87-V91 PolarHBondContact O-N 2.98Å
88	V	92	Very high	87.6	Confident	0 Å²	0	63 Å²	63	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-60.7	-52.3	176.9	179.7	0	0	0	0	110.2	L74 L77 Q84 P85 H90 V91 L92 L110 L113 F115	L74-V88 HydrophobicContact CD2-CG1 4.1Å; L77-V88 HydrophobicContact CD1-CG2 4.34Å; Q84-V88 PolarHBondContact O-N 3.31Å; P85-V88 PolarHBondContact O-N 3.44Å; V88-H90 VanDerWaalsContact C-N 3.29Å; V88-H90 PolarHBondContact O-N 3.46Å; V88-V91 PolarHBondContact O-N 2.96Å; V88-V91 VanDerWaalsContact O-N 3.09Å; V88-L92 PolarHBondContact O-N 3.2Å; V88-L92 VanDerWaalsContact O-N 3.13Å; V88-L110 HydrophobicContact CG1-CD2 3.77Å; V88-L113 HydrophobicContact CB-CD1 4.49Å; V88-L113 HydrophobicContact CG1-CD1 3.96Å; V88-L113 HydrophobicContact CG2-CD1 3.69Å; V88-L113 HydrophobicContact CG2-CD2 3.95Å; V88-L113 HydrophobicContact CG2-CG 4.31Å; V88-F115 HydrophobicContact CB-CE2 3.94Å; V88-F115 HydrophobicContact CB-CZ 3.89Å; V88-F115 HydrophobicContact CG1-CD1 4.42Å; V88-F115 HydrophobicContact CG1-CD2 3.99Å; V88-F115 HydrophobicContact CG1-CE1 4.24Å; V88-F115 HydrophobicContact CG1-CE2 3.81Å; V88-F115 HydrophobicContact CG1-CG 4.3Å; V88-F115 HydrophobicContact CG1-CZ 3.94Å; V88-F115 HydrophobicContact CG2-CE2 3.9Å; V88-F115 HydrophobicContact CG2-CZ 4.26Å
89	Q	92.9	Very high	87.7	Confident	72 Å²	72	67.8 Å²	67.8	34%	0.336	36%	0.364	S	S	.	.	H	α-helix	trans	-58.2	-42.9	178	-170.9	61.9	27.8	0	0	111.6	P85 V91 L92 E93 Q118	P85-Q89 PolarHBondContact O-N 3.25Å; Q89-V91 VanDerWaalsContact C-N 3.33Å; Q89-V91 PolarHBondContact O-N 3.47Å; Q89-L92 PolarHBondContact O-N 2.95Å; Q89-E93 WeakPolarHBondContact O-CG 3.5Å; Q89-E93 PolarHBondContact O-N 2.81Å; Q89-Q118 VanDerWaalsContact OE1-NE2 3.14Å
90	H	92.1	Very high	88	Confident	40 Å²	40	64.6 Å²	64.6	19%	0.185	34%	0.342	C	S	.	.	H	α-helix	trans	-63.1	-36.3	177.6	-170.7	-169	0	0	0	112.9	Y43 L47 H51 K86 K87 V88 E93 V94	Y43-H90 AromaticContact CZ-ND1 3.91Å; Y43-H90 PolarHBondContact OH-ND1 3Å; L47-H90 WeakPolarHBondContact CD2-CE1 3.42Å; H51-H90 AromaticContact CD2-CE1 3.78Å; H51-H90 AromaticContact CD2-NE2 3.08Å; H51-H90 PolarHBondContact CD2-NE2 3.2Å; H51-H90 AromaticContact NE2-CE1 3.95Å; H51-H90 AromaticContact NE2-NE2 3.08Å; H51-H90 PolarHBondContact NE2-NE2 2.98Å; K86-H90 VanDerWaalsContact O-CB 3.26Å; K86-H90 WeakPolarHBondContact O-CB 3.41Å; K86-H90 PolarHBondContact O-N 3.22Å; K86-H90 VanDerWaalsContact O-N 3.11Å; K87-H90 PolarHBondContact O-N 2.98Å; V88-H90 VanDerWaalsContact C-N 3.29Å; V88-H90 PolarHBondContact O-N 3.46Å; H90-E93 PolarHBondContact O-N 3.37Å; H90-V94 VanDerWaalsContact O-CG2 3.27Å; H90-V94 WeakPolarHBondContact O-CG2 3.13Å; H90-V94 PolarHBondContact O-N 3.43Å
91	V	93	Very high	88.6	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-65.5	-42.8	175	174.3	0	0	0	0	110.7	Y43 F46 F70 V73 L74 L77 K87 V88 Q89 V94 M95	Y43-V91 HydrophobicContact CE2-CG2 4.33Å; F46-V91 HydrophobicContact CE1-CG2 3.97Å; F46-V91 HydrophobicContact CZ-CB 4.44Å; F46-V91 HydrophobicContact CZ-CG1 4.17Å; F46-V91 HydrophobicContact CZ-CG2 4.16Å; F70-V91 HydrophobicContact CB-CG1 4.4Å; F70-V91 HydrophobicContact CD1-CG1 4.08Å; V73-V91 HydrophobicContact CG1-CG2 3.7Å; L74-V91 HydrophobicContact CD1-CG1 4.44Å; L74-V91 HydrophobicContact CD2-CB 3.92Å; L74-V91 HydrophobicContact CD2-CG1 3.75Å; L74-V91 HydrophobicContact CG-CG1 3.83Å; L77-V91 HydrophobicContact CD1-CG2 4.4Å; K87-V91 WeakPolarHBondContact O-CG2 3.33Å; K87-V91 PolarHBondContact O-N 2.98Å; V88-V91 PolarHBondContact O-N 2.96Å; V88-V91 VanDerWaalsContact O-N 3.09Å; Q89-V91 VanDerWaalsContact C-N 3.33Å; Q89-V91 PolarHBondContact O-N 3.47Å; V91-V94 PolarHBondContact O-N 3.22Å; V91-M95 WeakPolarHBondContact O-CB 3.46Å; V91-M95 PolarHBondContact O-N 3.38Å
92	L	93.1	Very high	89.5	Confident	26 Å²	26	66.8 Å²	66.8	14%	0.136	33%	0.327	C	S	.	.	H	α-helix	trans	-64.1	-40.7	176.5	-64	177.4	0	0	0	112.2	L74 V88 Q89 M95 Q96 T106 L110 Q118	L74-L92 HydrophobicContact CD1-CD2 4.34Å; V88-L92 PolarHBondContact O-N 3.2Å; V88-L92 VanDerWaalsContact O-N 3.13Å; Q89-L92 PolarHBondContact O-N 2.95Å; L92-M95 VanDerWaalsContact O-CB 3.31Å; L92-M95 WeakPolarHBondContact O-CB 3.49Å; L92-M95 PolarHBondContact O-N 3.23Å; L92-Q96 PolarHBondContact O-N 3.09Å; L92-T106 HydrophobicContact CD2-CG2 4.43Å; L92-L110 HydrophobicContact CD1-CD2 4.02Å; L92-L110 HydrophobicContact CD2-CD1 4.38Å; L92-L110 HydrophobicContact CD2-CD2 4.34Å; L92-Q118 VanDerWaalsContact CD1-OE1 3.31Å
93	E	92.2	Very high	90.1	Very high	77 Å²	77	62.2 Å²	62.2	36%	0.36	31%	0.307	S	S	.	.	H	α-helix	trans	-60.1	-46.9	174.2	-74.5	169.8	-167.4	0	0	111.6	Q89 H90 M95 Q96 M97	Q89-E93 WeakPolarHBondContact O-CG 3.5Å; Q89-E93 PolarHBondContact O-N 2.81Å; H90-E93 PolarHBondContact O-N 3.37Å; E93-M95 VanDerWaalsContact C-N 3.28Å; E93-M95 PolarHBondContact O-N 2.76Å; E93-Q96 PolarHBondContact O-N 2.54Å; E93-M97 HydrophobicContact CB-CE 4.48Å; E93-M97 VanDerWaalsContact O-CG 3.27Å; E93-M97 WeakPolarHBondContact O-CG 3.28Å; E93-M97 PolarHBondContact O-N 3.18Å
94	V	90.6	Very high	90.6	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64.4	-36.9	177.3	178	0	0	0	0	110.9	F46 I50 F70 H90 V91 M97 K98	F46-V94 HydrophobicContact CE1-CB 4.42Å; F46-V94 HydrophobicContact CE1-CG1 4.48Å; F46-V94 HydrophobicContact CE1-CG2 4.33Å; F46-V94 HydrophobicContact CZ-CB 4.06Å; F46-V94 HydrophobicContact CZ-CG1 3.96Å; F46-V94 HydrophobicContact CZ-CG2 4.46Å; I50-V94 HydrophobicContact CG2-CG1 3.85Å; F70-V94 HydrophobicContact CE1-CB 4.3Å; F70-V94 HydrophobicContact CE1-CG1 3.91Å; F70-V94 HydrophobicContact CZ-CG1 4.44Å; H90-V94 VanDerWaalsContact O-CG2 3.27Å; H90-V94 WeakPolarHBondContact O-CG2 3.13Å; H90-V94 PolarHBondContact O-N 3.43Å; V91-V94 PolarHBondContact O-N 3.22Å; V94-M97 PolarHBondContact O-N 3.37Å; V94-K98 WeakPolarHBondContact O-CB 3.41Å; V94-K98 PolarHBondContact O-N 2.66Å
95	M	92.1	Very high	90.8	Very high	3 Å²	3	58.1 Å²	58.1	2%	0.015	28%	0.283	C	S	.	.	H	α-helix	trans	-60.3	-46.3	175.4	-159.6	177.2	-176.8	0	0	110.8	P67 F70 V91 L92 E93 K98 N99 V100 P102 T106	P67-M95 HydrophobicContact CB-CE 4.36Å; F70-M95 HydrophobicContact CB-CE 4.39Å; F70-M95 HydrophobicContact CB-CG 4.46Å; F70-M95 HydrophobicContact CB-SD 4.2Å; F70-M95 HydrophobicContact CD1-CB 3.72Å; F70-M95 HydrophobicContact CD1-CG 3.86Å; F70-M95 HydrophobicContact CD2-CG 4.48Å; F70-M95 HydrophobicContact CE1-CB 3.87Å; F70-M95 HydrophobicContact CE1-CG 4.21Å; F70-M95 HydrophobicContact CG-CB 4.38Å; F70-M95 HydrophobicContact CG-CG 4.01Å; F70-M95 HydrophobicContact CG-SD 4.39Å; V91-M95 WeakPolarHBondContact O-CB 3.46Å; V91-M95 PolarHBondContact O-N 3.38Å; L92-M95 VanDerWaalsContact O-CB 3.31Å; L92-M95 WeakPolarHBondContact O-CB 3.49Å; L92-M95 PolarHBondContact O-N 3.23Å; E93-M95 VanDerWaalsContact C-N 3.28Å; E93-M95 PolarHBondContact O-N 2.76Å; M95-K98 PolarHBondContact O-N 3.42Å; M95-N99 PolarHBondContact O-N 3.35Å; M95-V100 HydrophobicContact CE-CB 4.42Å; M95-V100 HydrophobicContact CE-CG1 3.74Å; M95-V100 HydrophobicContact CG-CB 3.63Å; M95-V100 HydrophobicContact CG-CG1 3.88Å; M95-V100 PolarHBondContact O-N 3.01Å; M95-P102 VanDerWaalsContact CE-CA 3.48Å; M95-P102 HydrophobicContact CE-CB 4.21Å; M95-P102 HydrophobicContact CE-CG 4Å; M95-P102 HydrophobicContact SD-CG 4.14Å; M95-T106 HydrophobicContact CE-CG2 4.49Å; M95-T106 HydrophobicContact SD-CG2 4.35Å
96	Q	90.8	Very high	91	Very high	158 Å²	158	54.6 Å²	54.6	74%	0.738	26%	0.26	S	S	*	.	H	α-helix	trans	-64.8	-45.7	175	-172.8	-179.5	7.7	0	0	112.3	L92 E93 K98 N99	L92-Q96 PolarHBondContact O-N 3.09Å; E93-Q96 PolarHBondContact O-N 2.54Å; Q96-K98 PolarHBondContact O-N 2.98Å; Q96-N99 PolarHBondContact O-N 3.11Å
97	M	88	Confident	91.1	Very high	114 Å²	114	45.4 Å²	45.4	56%	0.562	22%	0.221	S	C	*	.	H	α-helix	trans	-58.9	-34.5	177.7	-72	178	-167.8	0	0	112.5	P52 E93 V94 N99	P52-M97 HydrophobicContact CG-CB 4.11Å; P52-M97 HydrophobicContact CG-SD 3.89Å; E93-M97 HydrophobicContact CB-CE 4.48Å; E93-M97 VanDerWaalsContact O-CG 3.27Å; E93-M97 WeakPolarHBondContact O-CG 3.28Å; E93-M97 PolarHBondContact O-N 3.18Å; V94-M97 PolarHBondContact O-N 3.37Å; M97-N99 VanDerWaalsContact C-N 3.32Å
98	K	85.9	Confident	91.1	Very high	26 Å²	26	43.7 Å²	43.7	11%	0.113	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	5	176.2	-74	-159.3	162.1	-176.5	0	114	I50 N65 F70 V94 M95 Q96 V100	I50-K98 HydrophobicContact CG2-CD 3.99Å; I50-K98 WeakPolarHBondContact O-CE 3.48Å; I50-K98 PolarHBondContact O-NZ 3.2Å; N65-K98 PolarHBondContact ND2-O 3.07Å; F70-K98 HydrophobicContact CZ-CD 4.36Å; V94-K98 WeakPolarHBondContact O-CB 3.41Å; V94-K98 PolarHBondContact O-N 2.66Å; M95-K98 PolarHBondContact O-N 3.42Å; Q96-K98 PolarHBondContact O-N 2.98Å; K98-V100 HydrophobicContact CB-CG2 3.73Å; K98-V100 PolarHBondContact O-N 3.38Å
99	N	87.9	Confident	91.1	Very high	129 Å²	129	43.8 Å²	43.8	69%	0.69	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	36.7	-176.1	-163.7	26.8	0	0	0	112.5	M95 Q96 M97	M95-N99 PolarHBondContact O-N 3.35Å; Q96-N99 PolarHBondContact O-N 3.11Å; M97-N99 VanDerWaalsContact C-N 3.32Å
100	V	90.1	Very high	91.2	Very high	8 Å²	8	40.3 Å²	40.3	5%	0.048	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-86.4	128.2	178.4	-178.9	0	0	0	0	108.5	N65 P67 F70 M95 K98 P102	N65-V100 HydrophobicContact CB-CG2 3.89Å; P67-V100 HydrophobicContact CB-CG1 4.05Å; P67-V100 HydrophobicContact CG-CG1 3.78Å; F70-V100 HydrophobicContact CD2-CB 4.44Å; F70-V100 HydrophobicContact CD2-CG1 3.89Å; F70-V100 HydrophobicContact CD2-CG2 4.43Å; F70-V100 HydrophobicContact CE2-CB 4.11Å; F70-V100 HydrophobicContact CE2-CG1 3.95Å; F70-V100 HydrophobicContact CE2-CG2 3.66Å; F70-V100 HydrophobicContact CZ-CB 4.43Å; F70-V100 HydrophobicContact CZ-CG2 3.93Å; M95-V100 HydrophobicContact CE-CB 4.42Å; M95-V100 HydrophobicContact CE-CG1 3.74Å; M95-V100 HydrophobicContact CG-CB 3.63Å; M95-V100 HydrophobicContact CG-CG1 3.88Å; M95-V100 PolarHBondContact O-N 3.01Å; K98-V100 HydrophobicContact CB-CG2 3.73Å; K98-V100 PolarHBondContact O-N 3.38Å; V100-P102 WeakPolarHBondContact O-CD 3.21Å
101	K	90.9	Very high	91.2	Very high	140 Å²	140	38.4 Å²	38.4	61%	0.609	19%	0.189	S	C	*	.	P	Polyproline II helix	trans	-84.4	116.9	-172.7	-89.1	-172.9	-173.9	-173.7	0	110.5	P67	P67-K101 WeakPolarHBondContact CG-O 3.49Å
102	P	92.3	Very high	91.2	Very high	28 Å²	28	39.6 Å²	39.6	18%	0.182	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-53.6	150	170.3	-28.7	37.1	0	0	0	114.2	M95 V100 T106 I122 R126	M95-P102 VanDerWaalsContact CE-CA 3.48Å; M95-P102 HydrophobicContact CE-CB 4.21Å; M95-P102 HydrophobicContact CE-CG 4Å; M95-P102 HydrophobicContact SD-CG 4.14Å; V100-P102 WeakPolarHBondContact O-CD 3.21Å; P102-T106 HydrophobicContact CB-CG2 3.93Å; P102-I122 HydrophobicContact CB-CD1 4.46Å; P102-I122 HydrophobicContact CB-CG2 3.61Å; P102-I122 HydrophobicContact CG-CD1 4.47Å; P102-I122 HydrophobicContact CG-CG2 4.35Å; P102-R126 VanDerWaalsContact CD-NH1 3.33Å; P102-R126 PolarHBondContact O-NH1 3.35Å; P102-R126 PolarHBondContact O-NH2 3.09Å
103	N	91	Very high	91.2	Very high	49 Å²	49	38.6 Å²	38.6	26%	0.262	19%	0.19	S	C	.	.			trans	-136.5	-172.8	177.8	64	1	0	0	0	110.8	N71 D105 T106 I107	N71-N103 PolarHBondContact ND2-OD1 3.21Å; N103-D105 PolarHBondContact O-N 2.95Å; N103-D105 WeakPolarHBondContact OD1-CB 3.37Å; N103-D105 PolarHBondContact OD1-N 3.36Å; N103-T106 PolarHBondContact N-OG1 3.49Å; N103-T106 WeakPolarHBondContact O-CA 3.42Å; N103-T106 VanDerWaalsContact O-CB 3.31Å; N103-T106 WeakPolarHBondContact O-CB 3.46Å; N103-T106 PolarHBondContact O-N 3.2Å; N103-T106 PolarHBondContact OD1-N 3.49Å; N103-T106 PolarHBondContact OD1-OG1 3.42Å; N103-I107 PolarHBondContact O-N 3.19Å; N103-I107 VanDerWaalsContact O-N 3.1Å
104	H	90.1	Very high	91.1	Very high	25 Å²	25	36.5 Å²	36.5	12%	0.116	19%	0.189	C	C	.	.	H	α-helix	trans	-52.5	-38.1	178.4	-61.5	112.4	0	0	0	112.9	T106 I107 A108 P129 E132 V133	H104-T106 PolarHBondContact O-N 2.85Å; H104-I107 WeakPolarHBondContact O-CB 3.33Å; H104-I107 PolarHBondContact O-N 3.25Å; H104-A108 PolarHBondContact O-N 3.33Å; H104-P129 WeakPolarHBondContact NE2-CD 3.44Å; H104-E132 IonicContact CE1-OE2 3.69Å; H104-E132 PolarHBondContact CE1-OE2 3.46Å; H104-E132 IonicContact ND1-OE2 3.28Å; H104-E132 PolarHBondContact ND1-OE2 2.98Å; H104-E132 IonicContact NE2-OE2 2.82Å; H104-V133 HydrophobicContact CB-CG2 4.3Å
105	D	89.6	Confident	91.3	Very high	23 Å²	23	38.3 Å²	38.3	12%	0.123	20%	0.197	C	C	.	.	H	α-helix	trans	-68	-34.2	176.6	-72.9	-8.9	0	0	0	113.1	N71 N103 S109 Q138 Y139	N71-D105 HydrophobicContact CB-CB 4.13Å; N71-D105 VanDerWaalsContact ND2-CB 3.28Å; N71-D105 WeakPolarHBondContact ND2-CB 3.48Å; N103-D105 PolarHBondContact O-N 2.95Å; N103-D105 WeakPolarHBondContact OD1-CB 3.37Å; N103-D105 PolarHBondContact OD1-N 3.36Å; D105-S109 VanDerWaalsContact O-CB 3.29Å; D105-S109 WeakPolarHBondContact O-CB 3.43Å; D105-S109 PolarHBondContact O-N 3.33Å; D105-S109 PolarHBondContact O-OG 2.93Å; D105-Q138 PolarHBondContact OD1-NE2 2.89Å; D105-Q138 PolarHBondContact OD2-NE2 3.48Å; D105-Y139 WeakPolarHBondContact CA-OH 3.45Å
106	T	93.2	Very high	91.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-45.3	173.1	-46.6	0	0	0	0	110	N71 L74 L92 M95 P102 N103 H104 S109 L110	N71-T106 WeakPolarHBondContact OD1-CA 3.47Å; N71-T106 WeakPolarHBondContact OD1-CB 3.4Å; N71-T106 PolarHBondContact OD1-N 3.27Å; N71-T106 PolarHBondContact OD1-OG1 2.88Å; L74-T106 HydrophobicContact CD1-CG2 3.84Å; L92-T106 HydrophobicContact CD2-CG2 4.43Å; M95-T106 HydrophobicContact CE-CG2 4.49Å; M95-T106 HydrophobicContact SD-CG2 4.35Å; P102-T106 HydrophobicContact CB-CG2 3.93Å; N103-T106 PolarHBondContact N-OG1 3.49Å; N103-T106 WeakPolarHBondContact O-CA 3.42Å; N103-T106 VanDerWaalsContact O-CB 3.31Å; N103-T106 WeakPolarHBondContact O-CB 3.46Å; N103-T106 PolarHBondContact O-N 3.2Å; N103-T106 PolarHBondContact OD1-N 3.49Å; N103-T106 PolarHBondContact OD1-OG1 3.42Å; H104-T106 PolarHBondContact O-N 2.85Å; T106-S109 PolarHBondContact O-N 3.3Å; T106-L110 HydrophobicContact CG2-CD1 4.27Å; T106-L110 VanDerWaalsContact O-CG 3.3Å; T106-L110 WeakPolarHBondContact O-CG 3.4Å; T106-L110 PolarHBondContact O-N 2.83Å
107	I	93.6	Very high	91.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60	-52.6	177.5	-64.3	166.4	0	0	0	110.2	N103 H104 S109 L110 L111 A119 I122 A123 L128 L130 V133	N103-I107 PolarHBondContact O-N 3.19Å; N103-I107 VanDerWaalsContact O-N 3.1Å; H104-I107 WeakPolarHBondContact O-CB 3.33Å; H104-I107 PolarHBondContact O-N 3.25Å; I107-S109 VanDerWaalsContact C-N 3.33Å; I107-S109 PolarHBondContact O-N 3.23Å; I107-L110 PolarHBondContact O-N 3.39Å; I107-L111 HydrophobicContact CG2-CD1 3.88Å; I107-L111 HydrophobicContact CG2-CG 4.48Å; I107-L111 VanDerWaalsContact O-CG 3.32Å; I107-L111 WeakPolarHBondContact O-CG 3.47Å; I107-L111 PolarHBondContact O-N 3.27Å; I107-A119 HydrophobicContact CG2-CB 4.11Å; I107-I122 HydrophobicContact CD1-CG2 4.31Å; I107-I122 HydrophobicContact CG1-CB 4.46Å; I107-I122 HydrophobicContact CG1-CG2 3.9Å; I107-A123 HydrophobicContact CD1-CB 3.77Å; I107-L128 HydrophobicContact CD1-CB 3.81Å; I107-L128 HydrophobicContact CD1-CD1 3.69Å; I107-L128 HydrophobicContact CD1-CG 4.41Å; I107-L130 HydrophobicContact CG2-CD2 4.18Å; I107-V133 HydrophobicContact CB-CG2 4.23Å; I107-V133 HydrophobicContact CG2-CG1 4.48Å; I107-V133 HydrophobicContact CG2-CG2 3.92Å
108	A	91.4	Very high	91.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-57.3	-44.4	177	0	0	0	0	0	112.6	H104 L110 L111 L112 V133 Y139 I147	H104-A108 PolarHBondContact O-N 3.33Å; A108-L110 VanDerWaalsContact C-N 3.33Å; A108-L110 PolarHBondContact O-N 3.04Å; A108-L111 PolarHBondContact O-N 2.9Å; A108-L112 WeakPolarHBondContact O-CG 3.33Å; A108-L112 PolarHBondContact O-N 2.85Å; A108-V133 HydrophobicContact CB-CG1 3.55Å; A108-Y139 HydrophobicContact CB-CE1 4.09Å; A108-Y139 HydrophobicContact CB-CE2 3.55Å; A108-Y139 WeakPolarHBondContact CB-OH 3.42Å; A108-I147 HydrophobicContact CB-CD1 3.83Å
109	S	92.2	Very high	92	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.007	18%	0.182	C	C	.	.	H	α-helix	trans	-63.7	-39.3	179.7	-56.2	0	0	0	0	111.8	D105 T106 I107 L112 L113	D105-S109 VanDerWaalsContact O-CB 3.29Å; D105-S109 WeakPolarHBondContact O-CB 3.43Å; D105-S109 PolarHBondContact O-N 3.33Å; D105-S109 PolarHBondContact O-OG 2.93Å; T106-S109 PolarHBondContact O-N 3.3Å; I107-S109 VanDerWaalsContact C-N 3.33Å; I107-S109 PolarHBondContact O-N 3.23Å; S109-L112 PolarHBondContact O-N 2.86Å; S109-L113 WeakPolarHBondContact O-CD1 3.41Å; S109-L113 VanDerWaalsContact O-CG 3.31Å; S109-L113 WeakPolarHBondContact O-CG 3.36Å; S109-L113 PolarHBondContact O-N 3.28Å; S109-L113 VanDerWaalsContact O-N 3.09Å
110	L	94.4	Very high	92.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-67.4	-39.2	175.5	-70.8	174	0	0	0	112.4	V88 L92 T106 I107 A108 L113 G114 F115 A119 I122	V88-L110 HydrophobicContact CG1-CD2 3.77Å; L92-L110 HydrophobicContact CD1-CD2 4.02Å; L92-L110 HydrophobicContact CD2-CD1 4.38Å; L92-L110 HydrophobicContact CD2-CD2 4.34Å; T106-L110 HydrophobicContact CG2-CD1 4.27Å; T106-L110 VanDerWaalsContact O-CG 3.3Å; T106-L110 WeakPolarHBondContact O-CG 3.4Å; T106-L110 PolarHBondContact O-N 2.83Å; I107-L110 PolarHBondContact O-N 3.39Å; A108-L110 VanDerWaalsContact C-N 3.33Å; A108-L110 PolarHBondContact O-N 3.04Å; L110-L113 CarbonylContact O-C 3.45Å; L110-L113 PolarHBondContact O-N 3.3Å; L110-L113 VanDerWaalsContact O-N 3.16Å; L110-G114 PolarHBondContact O-N 3.07Å; L110-F115 HydrophobicContact CB-CB 4.1Å; L110-F115 HydrophobicContact CD2-CB 4.03Å; L110-F115 HydrophobicContact CD2-CG 4.39Å; L110-F115 PolarHBondContact O-N 3.02Å; L110-A119 HydrophobicContact CB-CB 3.89Å; L110-I122 HydrophobicContact CD1-CD1 3.53Å
111	L	93.7	Very high	92.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.5	-42.6	174.2	-68.6	165.9	0	0	0	111.4	I107 A108 L113 G114 T116 A119 M120 I147 R150 I151	I107-L111 HydrophobicContact CG2-CD1 3.88Å; I107-L111 HydrophobicContact CG2-CG 4.48Å; I107-L111 VanDerWaalsContact O-CG 3.32Å; I107-L111 WeakPolarHBondContact O-CG 3.47Å; I107-L111 PolarHBondContact O-N 3.27Å; A108-L111 PolarHBondContact O-N 2.9Å; L111-L113 PolarHBondContact O-N 3.04Å; L111-G114 PolarHBondContact O-N 3.15Å; L111-T116 HydrophobicContact CD2-CG2 3.96Å; L111-A119 HydrophobicContact CD2-CB 3.86Å; L111-A119 HydrophobicContact CG-CB 3.78Å; L111-M120 HydrophobicContact CD2-CE 4.24Å; L111-I147 HydrophobicContact CB-CG1 4.34Å; L111-I147 HydrophobicContact CD1-CG2 3.87Å; L111-R150 HydrophobicContact CB-CB 4.28Å; L111-R150 HydrophobicContact CD2-CB 3.69Å; L111-I151 HydrophobicContact CD1-CD1 4.07Å; L111-I151 HydrophobicContact CD1-CG1 3.7Å
112	L	91.5	Very high	92.6	Very high	24 Å²	24	26.4 Å²	26.4	13%	0.126	15%	0.146	C	C	.	.	H	α-helix	trans	-60.7	-34.5	173.5	-70.6	172.9	0	0	0	112.7	A78 A108 S109 G114 Y139 E143 I146 I147	A78-L112 HydrophobicContact CB-CB 3.84Å; A108-L112 WeakPolarHBondContact O-CG 3.33Å; A108-L112 PolarHBondContact O-N 2.85Å; S109-L112 PolarHBondContact O-N 2.86Å; L112-G114 VanDerWaalsContact C-N 3.3Å; L112-Y139 HydrophobicContact CD1-CD1 4.06Å; L112-Y139 HydrophobicContact CD1-CE1 4.05Å; L112-E143 HydrophobicContact CD1-CB 4.23Å; L112-E143 HydrophobicContact CD1-CG 4.11Å; L112-E143 HydrophobicContact CD2-CB 3.67Å; L112-E143 HydrophobicContact CD2-CG 3.91Å; L112-E143 VanDerWaalsContact CD2-O 3.3Å; L112-E143 WeakPolarHBondContact CD2-O 3.46Å; L112-I146 HydrophobicContact CD2-CB 4.11Å; L112-I146 HydrophobicContact CD2-CG2 4.14Å; L112-I147 HydrophobicContact CD1-CD1 4.19Å; L112-I147 HydrophobicContact CD2-CD1 4.04Å; L112-I147 HydrophobicContact CD2-CG1 3.73Å; L112-I147 HydrophobicContact CG-CD1 3.93Å; L112-I147 HydrophobicContact CG-CG1 3.77Å
113	L	92.9	Very high	92.6	Very high	6 Å²	6	25.1 Å²	25.1	3%	0.031	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-5.8	176.1	-71.3	161.8	0	0	0	113.7	L74 L77 A78 V83 V88 S109 L110 L111 F115	L74-L113 HydrophobicContact CB-CD1 4.43Å; L74-L113 HydrophobicContact CD2-CD1 4.3Å; L77-L113 HydrophobicContact CB-CD2 4.13Å; A78-L113 HydrophobicContact CB-CD2 3.93Å; A78-L113 HydrophobicContact CB-CG 3.89Å; V83-L113 HydrophobicContact CG1-CD2 4.43Å; V83-L113 WeakPolarHBondContact CG1-O 3.46Å; V88-L113 HydrophobicContact CB-CD1 4.49Å; V88-L113 HydrophobicContact CG1-CD1 3.96Å; V88-L113 HydrophobicContact CG2-CD1 3.69Å; V88-L113 HydrophobicContact CG2-CD2 3.95Å; V88-L113 HydrophobicContact CG2-CG 4.31Å; S109-L113 WeakPolarHBondContact O-CD1 3.41Å; S109-L113 VanDerWaalsContact O-CG 3.31Å; S109-L113 WeakPolarHBondContact O-CG 3.36Å; S109-L113 PolarHBondContact O-N 3.28Å; S109-L113 VanDerWaalsContact O-N 3.09Å; L110-L113 CarbonylContact O-C 3.45Å; L110-L113 PolarHBondContact O-N 3.3Å; L110-L113 VanDerWaalsContact O-N 3.16Å; L111-L113 PolarHBondContact O-N 3.04Å; L113-F115 HydrophobicContact CB-CD2 3.65Å; L113-F115 HydrophobicContact CB-CE2 4.12Å; L113-F115 WeakPolarHBondContact O-CD2 3.41Å
114	G	91.5	Very high	92.7	Very high	33 Å²	33	27.3 Å²	27.3	34%	0.34	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	11.6	-177.5	0	0	0	0	0	115.5	L110 L111 L112 T116	L110-G114 PolarHBondContact O-N 3.07Å; L111-G114 PolarHBondContact O-N 3.15Å; L112-G114 VanDerWaalsContact C-N 3.3Å; G114-T116 PolarHBondContact O-N 2.8Å; G114-T116 VanDerWaalsContact O-N 3.09Å
115	F	93.4	Very high	92.8	Very high	38 Å²	38	33.4 Å²	33.4	17%	0.167	18%	0.176	C	C	.	.			trans	-85.7	51.5	177.5	-73.3	-101.4	0	0	0	111.6	V83 P85 V88 L110 L113 N117 Q118 A119	V83-F115 HydrophobicContact CG1-CE2 4Å; P85-F115 HydrophobicContact CB-CZ 3.87Å; P85-F115 HydrophobicContact CG-CZ 4.47Å; V88-F115 HydrophobicContact CB-CE2 3.94Å; V88-F115 HydrophobicContact CB-CZ 3.89Å; V88-F115 HydrophobicContact CG1-CD1 4.42Å; V88-F115 HydrophobicContact CG1-CD2 3.99Å; V88-F115 HydrophobicContact CG1-CE1 4.24Å; V88-F115 HydrophobicContact CG1-CE2 3.81Å; V88-F115 HydrophobicContact CG1-CG 4.3Å; V88-F115 HydrophobicContact CG1-CZ 3.94Å; V88-F115 HydrophobicContact CG2-CE2 3.9Å; V88-F115 HydrophobicContact CG2-CZ 4.26Å; L110-F115 HydrophobicContact CB-CB 4.1Å; L110-F115 HydrophobicContact CD2-CB 4.03Å; L110-F115 HydrophobicContact CD2-CG 4.39Å; L110-F115 PolarHBondContact O-N 3.02Å; L113-F115 HydrophobicContact CB-CD2 3.65Å; L113-F115 HydrophobicContact CB-CE2 4.12Å; L113-F115 WeakPolarHBondContact O-CD2 3.41Å; F115-N117 PolarHBondContact O-N 2.87Å; F115-Q118 HydrophobicContact CB-CB 4.4Å; F115-Q118 VanDerWaalsContact CD1-OE1 3.24Å; F115-Q118 PolarHBondContact O-N 3.36Å; F115-A119 WeakPolarHBondContact O-CB 3.36Å; F115-A119 PolarHBondContact O-N 3.42Å
116	T	92.4	Very high	92.8	Very high	15 Å²	15	36.7 Å²	36.7	9%	0.092	19%	0.186	C	C	.	.	H	α-helix	trans	-56.5	-47	-171.4	-49.7	0	0	0	0	112.7	L111 G114 Q118 A119 M120 R150 A154	L111-T116 HydrophobicContact CD2-CG2 3.96Å; G114-T116 PolarHBondContact O-N 2.8Å; G114-T116 VanDerWaalsContact O-N 3.09Å; T116-Q118 PolarHBondContact O-N 2.74Å; T116-A119 WeakPolarHBondContact O-CB 3.25Å; T116-A119 PolarHBondContact O-N 2.7Å; T116-A119 VanDerWaalsContact O-N 3.16Å; T116-M120 HydrophobicContact CG2-CE 4.21Å; T116-M120 HydrophobicContact CG2-CG 4.42Å; T116-M120 WeakPolarHBondContact O-CG 3.32Å; T116-M120 PolarHBondContact O-N 2.86Å; T116-R150 HydrophobicContact CG2-CB 4.5Å; T116-R150 WeakPolarHBondContact CG2-O 3.2Å; T116-A154 HydrophobicContact CG2-CB 3.72Å
117	N	93.4	Very high	92.7	Very high	141 Å²	141	45.2 Å²	45.2	75%	0.754	23%	0.226	S	C	*	.	H	α-helix	trans	-61.5	-42	-179.3	-66.4	-11.5	0	0	0	112.6	F115 M120 D121	F115-N117 PolarHBondContact O-N 2.87Å; N117-M120 PolarHBondContact O-N 2.82Å; N117-D121 WeakPolarHBondContact O-CB 3.4Å; N117-D121 PolarHBondContact O-N 3.49Å
118	Q	92.3	Very high	92.5	Very high	61 Å²	61	46.5 Å²	46.5	29%	0.285	23%	0.233	S	C	.	.	H	α-helix	trans	-68.7	-37.2	176.9	-67.9	-177.6	-8.7	0	0	111.5	Q89 L92 F115 T116 I122	Q89-Q118 VanDerWaalsContact OE1-NE2 3.14Å; L92-Q118 VanDerWaalsContact CD1-OE1 3.31Å; F115-Q118 HydrophobicContact CB-CB 4.4Å; F115-Q118 VanDerWaalsContact CD1-OE1 3.24Å; F115-Q118 PolarHBondContact O-N 3.36Å; T116-Q118 PolarHBondContact O-N 2.74Å; Q118-I122 WeakPolarHBondContact O-CB 3.45Å; Q118-I122 VanDerWaalsContact O-CG1 3.25Å; Q118-I122 WeakPolarHBondContact O-CG1 3.49Å; Q118-I122 PolarHBondContact O-N 3.35Å
119	A	93.6	Very high	92.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.5	-43.4	176.4	0	0	0	0	0	111.5	I107 L110 L111 F115 T116 I122 A123	I107-A119 HydrophobicContact CG2-CB 4.11Å; L110-A119 HydrophobicContact CB-CB 3.89Å; L111-A119 HydrophobicContact CD2-CB 3.86Å; L111-A119 HydrophobicContact CG-CB 3.78Å; F115-A119 WeakPolarHBondContact O-CB 3.36Å; F115-A119 PolarHBondContact O-N 3.42Å; T116-A119 WeakPolarHBondContact O-CB 3.25Å; T116-A119 PolarHBondContact O-N 2.7Å; T116-A119 VanDerWaalsContact O-N 3.16Å; A119-I122 PolarHBondContact O-N 3.48Å; A119-A123 WeakPolarHBondContact O-CB 2.95Å; A119-A123 PolarHBondContact O-N 3.47Å
120	M	94.7	Very high	92	Very high	14 Å²	14	49.6 Å²	49.6	7%	0.069	25%	0.252	C	S	.	.	H	α-helix	trans	-66.8	-44.9	175.9	-64.8	-52.1	169.1	0	0	112	L111 T116 N117 I122 A123 D124 L130 I151 A154	L111-M120 HydrophobicContact CD2-CE 4.24Å; T116-M120 HydrophobicContact CG2-CE 4.21Å; T116-M120 HydrophobicContact CG2-CG 4.42Å; T116-M120 WeakPolarHBondContact O-CG 3.32Å; T116-M120 PolarHBondContact O-N 2.86Å; N117-M120 PolarHBondContact O-N 2.82Å; M120-I122 VanDerWaalsContact C-N 3.3Å; M120-I122 PolarHBondContact O-N 2.97Å; M120-A123 WeakPolarHBondContact O-CB 3.44Å; M120-A123 PolarHBondContact O-N 2.94Å; M120-D124 PolarHBondContact O-N 3.08Å; M120-L130 HydrophobicContact CE-CD1 4.24Å; M120-L130 HydrophobicContact CE-CD2 4.45Å; M120-L130 HydrophobicContact SD-CD1 3.8Å; M120-L130 HydrophobicContact SD-CD2 4.01Å; M120-I151 HydrophobicContact CE-CB 4.2Å; M120-I151 HydrophobicContact CE-CG1 4.09Å; M120-I151 HydrophobicContact CE-CG2 4.17Å; M120-A154 HydrophobicContact CE-CB 3.72Å; M120-A154 HydrophobicContact CG-CB 3.92Å; M120-A154 HydrophobicContact SD-CB 4.45Å
121	D	94.1	Very high	91.3	Very high	72 Å²	72	51.9 Å²	51.9	39%	0.385	27%	0.268	S	S	.	.	H	α-helix	trans	-58.1	-42	175.7	178.6	62.5	0	0	0	112	N117 K125	N117-D121 WeakPolarHBondContact O-CB 3.4Å; N117-D121 PolarHBondContact O-N 3.49Å; D121-K125 WeakPolarHBondContact O-CB 3.21Å; D121-K125 VanDerWaalsContact O-CG 3.29Å; D121-K125 WeakPolarHBondContact O-CG 3.33Å; D121-K125 PolarHBondContact O-N 3.11Å; D121-K125 WeakPolarHBondContact OD1-CD 3.29Å; D121-K125 WeakPolarHBondContact OD1-CE 3.43Å; D121-K125 IonicContact OD1-NZ 2.88Å; D121-K125 PolarHBondContact OD1-NZ 2.82Å; D121-K125 WeakPolarHBondContact OD2-CE 3.42Å; D121-K125 IonicContact OD2-NZ 3.04Å; D121-K125 PolarHBondContact OD2-NZ 2.59Å
122	I	93.1	Very high	90.7	Very high	24 Å²	24	56.1 Å²	56.1	12%	0.123	29%	0.288	C	S	.	.	H	α-helix	trans	-64.7	-43.5	173.9	-71.8	167.5	0	0	0	111.1	P102 I107 L110 Q118 A119 M120 R126	P102-I122 HydrophobicContact CB-CD1 4.46Å; P102-I122 HydrophobicContact CB-CG2 3.61Å; P102-I122 HydrophobicContact CG-CD1 4.47Å; P102-I122 HydrophobicContact CG-CG2 4.35Å; I107-I122 HydrophobicContact CD1-CG2 4.31Å; I107-I122 HydrophobicContact CG1-CB 4.46Å; I107-I122 HydrophobicContact CG1-CG2 3.9Å; L110-I122 HydrophobicContact CD1-CD1 3.53Å; Q118-I122 WeakPolarHBondContact O-CB 3.45Å; Q118-I122 VanDerWaalsContact O-CG1 3.25Å; Q118-I122 WeakPolarHBondContact O-CG1 3.49Å; Q118-I122 PolarHBondContact O-N 3.35Å; A119-I122 PolarHBondContact O-N 3.48Å; M120-I122 VanDerWaalsContact C-N 3.3Å; M120-I122 PolarHBondContact O-N 2.97Å; I122-R126 WeakPolarHBondContact O-CB 3.33Å; I122-R126 WeakPolarHBondContact O-CG 3.25Å; I122-R126 PolarHBondContact O-N 2.97Å
123	A	92.2	Very high	90.2	Very high	1 Å²	1	55 Å²	55	1%	0.008	28%	0.282	C	S	.	.	H	α-helix	trans	-60.4	-48.9	179	0	0	0	0	0	111.3	I107 A119 M120 R126 Q127 L128 L130	I107-A123 HydrophobicContact CD1-CB 3.77Å; A119-A123 WeakPolarHBondContact O-CB 2.95Å; A119-A123 PolarHBondContact O-N 3.47Å; M120-A123 WeakPolarHBondContact O-CB 3.44Å; M120-A123 PolarHBondContact O-N 2.94Å; A123-R126 PolarHBondContact O-N 3.16Å; A123-Q127 WeakPolarHBondContact O-CA 3.29Å; A123-Q127 PolarHBondContact O-N 2.78Å; A123-L128 PolarHBondContact O-N 3.45Å; A123-L130 HydrophobicContact CB-CD2 3.92Å; A123-L130 HydrophobicContact CB-CG 4.49Å
124	D	93	Very high	89.2	Confident	95 Å²	95	55.8 Å²	55.8	51%	0.508	29%	0.286	S	S	.	.	H	α-helix	trans	-71.1	-48.3	-176.7	-63.3	-27.9	0	0	0	111.4	M120 R126 Q127 K155	M120-D124 PolarHBondContact O-N 3.08Å; D124-R126 PolarHBondContact O-N 3.23Å; D124-R126 VanDerWaalsContact O-N 3.11Å; D124-Q127 PolarHBondContact O-N 3.18Å; D124-Q127 VanDerWaalsContact O-N 3.17Å; D124-K155 IonicContact OD1-NZ 3.82Å; D124-K155 PolarHBondContact OD1-NZ 3.37Å
125	K	92.3	Very high	88	Confident	154 Å²	154	57.5 Å²	57.5	67%	0.67	29%	0.292	S	S	*	.	H	α-helix	trans	-58.7	-27.8	177.7	-78.5	175.8	175.1	156	0	113.3	D121	D121-K125 WeakPolarHBondContact O-CB 3.21Å; D121-K125 VanDerWaalsContact O-CG 3.29Å; D121-K125 WeakPolarHBondContact O-CG 3.33Å; D121-K125 PolarHBondContact O-N 3.11Å; D121-K125 WeakPolarHBondContact OD1-CD 3.29Å; D121-K125 WeakPolarHBondContact OD1-CE 3.43Å; D121-K125 IonicContact OD1-NZ 2.88Å; D121-K125 PolarHBondContact OD1-NZ 2.82Å; D121-K125 WeakPolarHBondContact OD2-CE 3.42Å; D121-K125 IonicContact OD2-NZ 3.04Å; D121-K125 PolarHBondContact OD2-NZ 2.59Å
126	R	90.1	Very high	86.7	Confident	92 Å²	92	58.2 Å²	58.2	35%	0.347	30%	0.296	S	S	.	.	H	α-helix	trans	-107.3	0.3	-176.9	-64.5	-154.1	58.6	-179.5	-20.7	114.4	P102 I122 A123 D124 L128	P102-R126 VanDerWaalsContact CD-NH1 3.33Å; P102-R126 PolarHBondContact O-NH1 3.35Å; P102-R126 PolarHBondContact O-NH2 3.09Å; I122-R126 WeakPolarHBondContact O-CB 3.33Å; I122-R126 WeakPolarHBondContact O-CG 3.25Å; I122-R126 PolarHBondContact O-N 2.97Å; A123-R126 PolarHBondContact O-N 3.16Å; D124-R126 PolarHBondContact O-N 3.23Å; D124-R126 VanDerWaalsContact O-N 3.11Å; R126-L128 HydrophobicContact CB-CD1 3.91Å; R126-L128 HydrophobicContact CB-CG 3.76Å; R126-L128 PolarHBondContact O-N 3.39Å
127	Q	90.4	Very high	85.5	Confident	178 Å²	178	59.2 Å²	59.2	83%	0.832	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	41.7	-176.8	-56.4	174.8	1.8	0	0	111.8	A123 D124	A123-Q127 WeakPolarHBondContact O-CA 3.29Å; A123-Q127 PolarHBondContact O-N 2.78Å; D124-Q127 PolarHBondContact O-N 3.18Å; D124-Q127 VanDerWaalsContact O-N 3.17Å
128	L	89.1	Confident	84.4	Confident	27 Å²	27	54.6 Å²	54.6	14%	0.141	28%	0.276	C	S	.	.			trans	-90	115.3	178.6	-67.2	174.9	0	0	0	109.4	I107 A123 R126 L130	I107-L128 HydrophobicContact CD1-CB 3.81Å; I107-L128 HydrophobicContact CD1-CD1 3.69Å; I107-L128 HydrophobicContact CD1-CG 4.41Å; A123-L128 PolarHBondContact O-N 3.45Å; R126-L128 HydrophobicContact CB-CD1 3.91Å; R126-L128 HydrophobicContact CB-CG 3.76Å; R126-L128 PolarHBondContact O-N 3.39Å; L128-L130 PolarHBondContact O-N 3.42Å
129	P	87.3	Confident	83.6	Confident	51 Å²	51	51.8 Å²	51.8	33%	0.331	26%	0.263	S	S	.	.			trans	-65.6	126.1	-177.2	26.2	-34.9	0	0	0	111.7	H104 S131 E132	H104-P129 WeakPolarHBondContact NE2-CD 3.44Å; P129-S131 PolarHBondContact O-N 3.15Å; P129-S131 VanDerWaalsContact O-N 3.16Å; P129-E132 HydrophobicContact CG-CB 4.15Å; P129-E132 HydrophobicContact CG-CG 3.73Å; P129-E132 VanDerWaalsContact CG-OE1 3.31Å; P129-E132 WeakPolarHBondContact CG-OE1 3.35Å; P129-E132 PolarHBondContact O-N 2.72Å
130	L	86.7	Confident	82.8	Confident	15 Å²	15	53.1 Å²	53.1	8%	0.079	27%	0.272	C	S	.	.	H	α-helix	trans	-62.6	-23.2	178.7	-67.7	170.4	0	0	0	112.8	I107 M120 A123 L128 E132 V133 I151 K155 F158	I107-L130 HydrophobicContact CG2-CD2 4.18Å; M120-L130 HydrophobicContact CE-CD1 4.24Å; M120-L130 HydrophobicContact CE-CD2 4.45Å; M120-L130 HydrophobicContact SD-CD1 3.8Å; M120-L130 HydrophobicContact SD-CD2 4.01Å; A123-L130 HydrophobicContact CB-CD2 3.92Å; A123-L130 HydrophobicContact CB-CG 4.49Å; L128-L130 PolarHBondContact O-N 3.42Å; L130-E132 VanDerWaalsContact C-N 3.31Å; L130-E132 PolarHBondContact O-N 2.85Å; L130-V133 HydrophobicContact CD2-CG2 4.45Å; L130-V133 WeakPolarHBondContact O-CB 3.49Å; L130-V133 PolarHBondContact O-N 3.07Å; L130-I151 HydrophobicContact CD1-CG2 4.1Å; L130-K155 HydrophobicContact CD1-CD 3.75Å; L130-F158 HydrophobicContact CB-CD2 4.4Å; L130-F158 HydrophobicContact CB-CE2 3.7Å; L130-F158 HydrophobicContact CB-CZ 4.05Å
131	S	80.3	Confident	81.9	Confident	48 Å²	48	55.3 Å²	55.3	34%	0.336	28%	0.284	S	S	.	.	H	α-helix	trans	-60.7	-37.3	172.9	47.3	0	0	0	0	112.6	P129 V133 M134 V161	P129-S131 PolarHBondContact O-N 3.15Å; P129-S131 VanDerWaalsContact O-N 3.16Å; S131-V133 VanDerWaalsContact C-N 3.28Å; S131-V133 PolarHBondContact O-N 3.18Å; S131-M134 PolarHBondContact O-N 3.14Å; S131-V161 VanDerWaalsContact CB-CG2 3.48Å
132	E	79.9	Confident	81.3	Confident	89 Å²	89	60.1 Å²	60.1	42%	0.416	30%	0.302	S	S	.	.	H	α-helix	trans	-75	-15.3	178.5	-72.5	-174.2	-151.1	0	0	113.6	H104 P129 L130 M134 S135 Q136	H104-E132 IonicContact CE1-OE2 3.69Å; H104-E132 PolarHBondContact CE1-OE2 3.46Å; H104-E132 IonicContact ND1-OE2 3.28Å; H104-E132 PolarHBondContact ND1-OE2 2.98Å; H104-E132 IonicContact NE2-OE2 2.82Å; P129-E132 HydrophobicContact CG-CB 4.15Å; P129-E132 HydrophobicContact CG-CG 3.73Å; P129-E132 VanDerWaalsContact CG-OE1 3.31Å; P129-E132 WeakPolarHBondContact CG-OE1 3.35Å; P129-E132 PolarHBondContact O-N 2.72Å; L130-E132 VanDerWaalsContact C-N 3.31Å; L130-E132 PolarHBondContact O-N 2.85Å; E132-M134 VanDerWaalsContact C-N 3.3Å; E132-S135 WeakPolarHBondContact CA-OG 3.4Å; E132-S135 PolarHBondContact O-OG 3.29Å; E132-Q136 PolarHBondContact O-NE2 2.94Å; E132-Q136 VanDerWaalsContact O-NE2 3.15Å
133	V	81	Confident	81	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-67.3	-38.2	171.9	-176.8	0	0	0	0	109.9	H104 I107 A108 L130 S131 I147	H104-V133 HydrophobicContact CB-CG2 4.3Å; I107-V133 HydrophobicContact CB-CG2 4.23Å; I107-V133 HydrophobicContact CG2-CG1 4.48Å; I107-V133 HydrophobicContact CG2-CG2 3.92Å; A108-V133 HydrophobicContact CB-CG1 3.55Å; L130-V133 HydrophobicContact CD2-CG2 4.45Å; L130-V133 WeakPolarHBondContact O-CB 3.49Å; L130-V133 PolarHBondContact O-N 3.07Å; S131-V133 VanDerWaalsContact C-N 3.28Å; S131-V133 PolarHBondContact O-N 3.18Å; V133-I147 HydrophobicContact CG1-CG2 4.03Å
134	M	72.3	Confident	80.4	Confident	24 Å²	24	61.5 Å²	61.5	12%	0.118	31%	0.307	C	S	.	.	H	α-helix	trans	-78.9	-19.3	-180	-63.9	-60.2	-65.2	0	0	113.4	S131 E132 Q136 R144 I147 L148 I151 F158	S131-M134 PolarHBondContact O-N 3.14Å; E132-M134 VanDerWaalsContact C-N 3.3Å; M134-Q136 VanDerWaalsContact C-N 3.28Å; M134-Q136 PolarHBondContact O-N 3.07Å; M134-R144 HydrophobicContact CE-CB 4.33Å; M134-I147 HydrophobicContact SD-CB 4.31Å; M134-I147 HydrophobicContact SD-CG2 3.67Å; M134-L148 HydrophobicContact CE-CB 3.85Å; M134-L148 HydrophobicContact CE-CD1 4.29Å; M134-L148 HydrophobicContact CE-CG 4.45Å; M134-L148 HydrophobicContact SD-CB 4.29Å; M134-I151 HydrophobicContact SD-CD1 4.4Å; M134-F158 HydrophobicContact CG-CE1 4.39Å
135	S	66.5	Low	80.1	Confident	68 Å²	68	61 Å²	61	48%	0.476	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-13.4	178.2	69	0	0	0	0	113.5	E132 T137	E132-S135 WeakPolarHBondContact CA-OG 3.4Å; E132-S135 PolarHBondContact O-OG 3.29Å; S135-T137 PolarHBondContact O-N 3Å
136	Q	66.9	Low	79.9	Confident	54 Å²	54	57 Å²	57	25%	0.252	29%	0.289	S	S	.	.			trans	-68	117.9	-178.2	-58.2	-56.6	-34.7	0	0	112.2	E132 M134 Q138 Y139 R144	E132-Q136 PolarHBondContact O-NE2 2.94Å; E132-Q136 VanDerWaalsContact O-NE2 3.15Å; M134-Q136 VanDerWaalsContact C-N 3.28Å; M134-Q136 PolarHBondContact O-N 3.07Å; Q136-Q138 HydrophobicContact CB-CG 4.49Å; Q136-Q138 PolarHBondContact O-N 3.37Å; Q136-Y139 HydrophobicContact CB-CD2 3.85Å; Q136-Y139 HydrophobicContact CB-CE2 3.57Å; Q136-Y139 HydrophobicContact CG-CE2 4.15Å; Q136-R144 PolarHBondContact O-NH2 3.38Å
137	T	65.8	Low	79.9	Confident	36 Å²	36	52.7 Å²	52.7	22%	0.221	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-10.2	-175.1	61.2	0	0	0	0	114.4	S135 Y139 V385	S135-T137 PolarHBondContact O-N 3Å; T137-Y139 VanDerWaalsContact C-N 3.34Å; T137-Y139 PolarHBondContact O-N 2.9Å; T137-V385 HydrophobicContact CG2-CB 4.37Å
138	Q	70.2	Confident	79.8	Confident	44 Å²	44	45.3 Å²	45.3	21%	0.206	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-16.7	-171.9	67.3	-175.2	-5.7	0	0	114.7	R75 D105 Q136	R75-Q138 VanDerWaalsContact CZ-O 3.24Å; R75-Q138 PolarHBondContact NH1-O 3.33Å; R75-Q138 PolarHBondContact NH2-O 3.24Å; D105-Q138 PolarHBondContact OD1-NE2 2.89Å; D105-Q138 PolarHBondContact OD2-NE2 3.48Å; Q136-Q138 HydrophobicContact CB-CG 4.49Å; Q136-Q138 PolarHBondContact O-N 3.37Å
139	Y	76.8	Confident	79.8	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.008	26%	0.261	C	S	.	.	S	Bend	trans	-90.5	135.3	-175.9	-56.7	-63	0	0	0	112.5	D105 A108 L112 Q136 T137 E143 R144 I147	D105-Y139 WeakPolarHBondContact CA-OH 3.45Å; A108-Y139 HydrophobicContact CB-CE1 4.09Å; A108-Y139 HydrophobicContact CB-CE2 3.55Å; A108-Y139 WeakPolarHBondContact CB-OH 3.42Å; L112-Y139 HydrophobicContact CD1-CD1 4.06Å; L112-Y139 HydrophobicContact CD1-CE1 4.05Å; Q136-Y139 HydrophobicContact CB-CD2 3.85Å; Q136-Y139 HydrophobicContact CB-CE2 3.57Å; Q136-Y139 HydrophobicContact CG-CE2 4.15Å; T137-Y139 VanDerWaalsContact C-N 3.34Å; T137-Y139 PolarHBondContact O-N 2.9Å; Y139-E143 HydrophobicContact CD1-CB 4.48Å; Y139-R144 PolarHBondContact O-NE 3Å; Y139-R144 VanDerWaalsContact O-NE 3.14Å; Y139-I147 HydrophobicContact CD1-CD1 4.21Å; Y139-I147 HydrophobicContact CD2-CD1 4.13Å; Y139-I147 HydrophobicContact CE1-CD1 4.48Å; Y139-I147 HydrophobicContact CE2-CD1 4.39Å; Y139-I147 HydrophobicContact CG-CD1 4.06Å
140	S	76.7	Confident	80	Confident	27 Å²	27	53.2 Å²	53.2	19%	0.189	26%	0.261	C	S	.	.			trans	-65.7	161.9	170.6	62.7	0	0	0	0	112.2	K142 E143 R144	S140-K142 PolarHBondContact O-N 3.39Å; S140-E143 WeakPolarHBondContact CB-OE2 3.45Å; S140-E143 PolarHBondContact N-OE2 2.68Å; S140-E143 PolarHBondContact O-N 3.5Å; S140-E143 VanDerWaalsContact O-N 3.12Å; S140-E143 WeakPolarHBondContact OG-CB 3.3Å; S140-E143 VanDerWaalsContact OG-CG 3.3Å; S140-E143 WeakPolarHBondContact OG-CG 3.47Å; S140-E143 PolarHBondContact OG-N 2.87Å; S140-E143 PolarHBondContact OG-OE2 2.91Å; S140-R144 WeakPolarHBondContact O-CG 3.29Å; S140-R144 PolarHBondContact O-N 3.33Å
141	D	76	Confident	80.2	Confident	61 Å²	61	52.5 Å²	52.5	33%	0.326	26%	0.257	S	S	.	.	H	α-helix	trans	-58.8	-35.7	178.8	-57.9	-23.4	0	0	0	111.8	N145 H381	D141-N145 WeakPolarHBondContact O-CB 3.33Å; D141-N145 VanDerWaalsContact O-CG 3.22Å; D141-N145 PolarHBondContact O-N 3.3Å; D141-N145 PolarHBondContact O-ND2 3.45Å; D141-H381 IonicContact OD1-CE1 3.84Å; D141-H381 IonicContact OD1-CG 3.49Å; D141-H381 IonicContact OD1-ND1 2.91Å; D141-H381 PolarHBondContact OD1-ND1 2.87Å
142	K	81.3	Confident	80.7	Confident	173 Å²	173	55.8 Å²	55.8	75%	0.752	26%	0.262	S	S	*	.	H	α-helix	trans	-65.3	-48.1	174.4	-68.2	-176.4	179.8	179.9	0	112.2	S140 R144 N145 I146	S140-K142 PolarHBondContact O-N 3.39Å; K142-R144 VanDerWaalsContact C-N 3.33Å; K142-R144 PolarHBondContact O-N 3.06Å; K142-N145 PolarHBondContact O-N 3.44Å; K142-I146 WeakPolarHBondContact O-CG1 3.31Å; K142-I146 PolarHBondContact O-N 2.98Å
143	E	86.2	Confident	81.3	Confident	35 Å²	35	56.4 Å²	56.4	16%	0.164	27%	0.265	C	S	.	.	H	α-helix	trans	-60.1	-44.3	177	-76.7	167.7	129.1	0	0	110.7	R75 L112 Y139 S140 N145 I146 I147	R75-E143 IonicContact CZ-OE1 2.78Å; R75-E143 IonicContact NE-OE1 3.78Å; R75-E143 PolarHBondContact NE-OE1 3.09Å; R75-E143 IonicContact NH2-OE1 3.19Å; R75-E143 PolarHBondContact NH2-OE1 3.26Å; R75-E143 IonicContact NH2-OE2 3.7Å; R75-E143 PolarHBondContact NH2-OE2 2.63Å; R75-E143 VanDerWaalsContact NH2-OE2 3.08Å; L112-E143 HydrophobicContact CD1-CB 4.23Å; L112-E143 HydrophobicContact CD1-CG 4.11Å; L112-E143 HydrophobicContact CD2-CB 3.67Å; L112-E143 HydrophobicContact CD2-CG 3.91Å; L112-E143 VanDerWaalsContact CD2-O 3.3Å; L112-E143 WeakPolarHBondContact CD2-O 3.46Å; Y139-E143 HydrophobicContact CD1-CB 4.48Å; S140-E143 WeakPolarHBondContact CB-OE2 3.45Å; S140-E143 PolarHBondContact N-OE2 2.68Å; S140-E143 PolarHBondContact O-N 3.5Å; S140-E143 VanDerWaalsContact O-N 3.12Å; S140-E143 WeakPolarHBondContact OG-CB 3.3Å; S140-E143 VanDerWaalsContact OG-CG 3.3Å; S140-E143 WeakPolarHBondContact OG-CG 3.47Å; S140-E143 PolarHBondContact OG-N 2.87Å; S140-E143 PolarHBondContact OG-OE2 2.91Å; E143-N145 PolarHBondContact O-N 3.09Å; E143-I146 WeakPolarHBondContact O-CB 3.39Å; E143-I146 PolarHBondContact O-N 3.37Å; E143-I147 WeakPolarHBondContact O-CG1 3.46Å; E143-I147 PolarHBondContact O-N 2.9Å
144	R	80.7	Confident	81.8	Confident	18 Å²	18	58.6 Å²	58.6	7%	0.068	28%	0.283	C	S	.	.	H	α-helix	trans	-61.2	-44.5	178.2	-73.3	169.1	168.4	-114.4	-10.6	112.7	M134 Q136 Y139 S140 K142 I146 I147 L148 D380 H381	M134-R144 HydrophobicContact CE-CB 4.33Å; Q136-R144 PolarHBondContact O-NH2 3.38Å; Y139-R144 PolarHBondContact O-NE 3Å; Y139-R144 VanDerWaalsContact O-NE 3.14Å; S140-R144 WeakPolarHBondContact O-CG 3.29Å; S140-R144 PolarHBondContact O-N 3.33Å; K142-R144 VanDerWaalsContact C-N 3.33Å; K142-R144 PolarHBondContact O-N 3.06Å; R144-I146 PolarHBondContact O-N 2.94Å; R144-I147 PolarHBondContact O-N 3.46Å; R144-L148 WeakPolarHBondContact O-CB 3.36Å; R144-L148 PolarHBondContact O-N 3.01Å; R144-D380 PolarHBondContact NH1-O 3.34Å; R144-H381 VanDerWaalsContact CZ-CG 3.44Å; R144-H381 VanDerWaalsContact CZ-NE2 3.28Å; R144-H381 PolarHBondContact NH1-CD2 2.9Å; R144-H381 VanDerWaalsContact NH1-CG 3.28Å; R144-H381 PolarHBondContact NH2-CD2 2.91Å; R144-H381 VanDerWaalsContact NH2-CD2 3.27Å; R144-H381 PolarHBondContact NH2-NE2 3.12Å
145	N	84.8	Confident	82.6	Confident	85 Å²	85	60.2 Å²	60.2	46%	0.455	29%	0.289	S	S	.	.	H	α-helix	trans	-61	-36.3	176.8	-75	-21.6	0	0	0	112	D141 K142 E143 R149	D141-N145 WeakPolarHBondContact O-CB 3.33Å; D141-N145 VanDerWaalsContact O-CG 3.22Å; D141-N145 PolarHBondContact O-N 3.3Å; D141-N145 PolarHBondContact O-ND2 3.45Å; K142-N145 PolarHBondContact O-N 3.44Å; E143-N145 PolarHBondContact O-N 3.09Å; N145-R149 VanDerWaalsContact O-CB 3.24Å; N145-R149 WeakPolarHBondContact O-CB 3.5Å; N145-R149 PolarHBondContact O-N 3.41Å; N145-R149 VanDerWaalsContact O-N 3.08Å
146	I	89.4	Confident	83.6	Confident	71 Å²	71	61.7 Å²	61.7	36%	0.364	30%	0.297	S	S	.	.	H	α-helix	trans	-66.6	-50.8	173.7	-65.2	165.3	0	0	0	110	L112 K142 E143 R144 L148 R149 R150	L112-I146 HydrophobicContact CD2-CB 4.11Å; L112-I146 HydrophobicContact CD2-CG2 4.14Å; K142-I146 WeakPolarHBondContact O-CG1 3.31Å; K142-I146 PolarHBondContact O-N 2.98Å; E143-I146 WeakPolarHBondContact O-CB 3.39Å; E143-I146 PolarHBondContact O-N 3.37Å; R144-I146 PolarHBondContact O-N 2.94Å; I146-L148 PolarHBondContact O-N 3.27Å; I146-R149 PolarHBondContact O-N 3.42Å; I146-R150 HydrophobicContact CG2-CG 4.38Å; I146-R150 VanDerWaalsContact O-CG 3.32Å; I146-R150 WeakPolarHBondContact O-CG 3.23Å; I146-R150 PolarHBondContact O-N 2.89Å
147	I	89.9	Confident	84.4	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-55.8	-51.5	179.2	-68.3	165.1	0	0	0	110.6	A108 L111 L112 V133 M134 Y139 E143 R144 R149 R150 I151	A108-I147 HydrophobicContact CB-CD1 3.83Å; L111-I147 HydrophobicContact CB-CG1 4.34Å; L111-I147 HydrophobicContact CD1-CG2 3.87Å; L112-I147 HydrophobicContact CD1-CD1 4.19Å; L112-I147 HydrophobicContact CD2-CD1 4.04Å; L112-I147 HydrophobicContact CD2-CG1 3.73Å; L112-I147 HydrophobicContact CG-CD1 3.93Å; L112-I147 HydrophobicContact CG-CG1 3.77Å; V133-I147 HydrophobicContact CG1-CG2 4.03Å; M134-I147 HydrophobicContact SD-CB 4.31Å; M134-I147 HydrophobicContact SD-CG2 3.67Å; Y139-I147 HydrophobicContact CD1-CD1 4.21Å; Y139-I147 HydrophobicContact CD2-CD1 4.13Å; Y139-I147 HydrophobicContact CE1-CD1 4.48Å; Y139-I147 HydrophobicContact CE2-CD1 4.39Å; Y139-I147 HydrophobicContact CG-CD1 4.06Å; E143-I147 WeakPolarHBondContact O-CG1 3.46Å; E143-I147 PolarHBondContact O-N 2.9Å; R144-I147 PolarHBondContact O-N 3.46Å; I147-R149 VanDerWaalsContact C-N 3.34Å; I147-R149 PolarHBondContact O-N 2.98Å; I147-R150 PolarHBondContact O-N 3.03Å; I147-I151 HydrophobicContact CG2-CD1 3.82Å; I147-I151 HydrophobicContact CG2-CG1 4.45Å; I147-I151 WeakPolarHBondContact O-CG1 3.41Å; I147-I151 PolarHBondContact O-N 3.22Å
148	L	87.5	Confident	85.3	Confident	23 Å²	23	66 Å²	66	12%	0.12	31%	0.314	C	S	.	.	H	α-helix	trans	-60.3	-43.7	-179.3	-176.8	61.7	0	0	0	111.8	M134 R144 I146 I151 R152 F158	M134-L148 HydrophobicContact CE-CB 3.85Å; M134-L148 HydrophobicContact CE-CD1 4.29Å; M134-L148 HydrophobicContact CE-CG 4.45Å; M134-L148 HydrophobicContact SD-CB 4.29Å; R144-L148 WeakPolarHBondContact O-CB 3.36Å; R144-L148 PolarHBondContact O-N 3.01Å; I146-L148 PolarHBondContact O-N 3.27Å; L148-I151 PolarHBondContact O-N 3.31Å; L148-R152 WeakPolarHBondContact O-CG 3.41Å; L148-R152 PolarHBondContact O-N 2.9Å; L148-F158 HydrophobicContact CD1-CD1 4.01Å; L148-F158 HydrophobicContact CD1-CE1 3.91Å
149	R	89.9	Confident	85.3	Confident	159 Å²	159	70.1 Å²	70.1	60%	0.6	33%	0.333	S	S	*	.	H	α-helix	trans	-59.6	-47.4	175.7	-173.8	-172.7	-57.8	172.1	0.4	111.1	N145 I146 I147 I151 R152 E153	N145-R149 VanDerWaalsContact O-CB 3.24Å; N145-R149 WeakPolarHBondContact O-CB 3.5Å; N145-R149 PolarHBondContact O-N 3.41Å; N145-R149 VanDerWaalsContact O-N 3.08Å; I146-R149 PolarHBondContact O-N 3.42Å; I147-R149 VanDerWaalsContact C-N 3.34Å; I147-R149 PolarHBondContact O-N 2.98Å; R149-I151 VanDerWaalsContact C-N 3.32Å; R149-I151 PolarHBondContact O-N 2.9Å; R149-R152 PolarHBondContact O-N 3.31Å; R149-E153 WeakPolarHBondContact O-CG 3.43Å; R149-E153 PolarHBondContact O-N 2.98Å
150	R	92.2	Very high	84.8	Confident	85 Å²	85	71.1 Å²	71.1	32%	0.321	35%	0.345	S	S	.	.	H	α-helix	trans	-64.6	-35.2	178.5	-66.3	-53.6	-166.9	176.6	1.6	112.9	L111 T116 I146 I147 E153 A154	L111-R150 HydrophobicContact CB-CB 4.28Å; L111-R150 HydrophobicContact CD2-CB 3.69Å; T116-R150 HydrophobicContact CG2-CB 4.5Å; T116-R150 WeakPolarHBondContact CG2-O 3.2Å; I146-R150 HydrophobicContact CG2-CG 4.38Å; I146-R150 VanDerWaalsContact O-CG 3.32Å; I146-R150 WeakPolarHBondContact O-CG 3.23Å; I146-R150 PolarHBondContact O-N 2.89Å; I147-R150 PolarHBondContact O-N 3.03Å; R150-E153 WeakPolarHBondContact CD-OE2 3.21Å; R150-E153 IonicContact CZ-OE2 2.83Å; R150-E153 IonicContact NE-OE2 3.08Å; R150-E153 IonicContact NH1-OE1 2.86Å; R150-E153 IonicContact NH1-OE2 2.7Å; R150-E153 PolarHBondContact NH1-OE2 2.93Å; R150-A154 PolarHBondContact O-N 3.4Å
151	I	91	Very high	84	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-65	-48.1	174	-65	167.9	0	0	0	109.9	L111 M120 L130 M134 I147 L148 R149 E153 A154 K155 F158	L111-I151 HydrophobicContact CD1-CD1 4.07Å; L111-I151 HydrophobicContact CD1-CG1 3.7Å; M120-I151 HydrophobicContact CE-CB 4.2Å; M120-I151 HydrophobicContact CE-CG1 4.09Å; M120-I151 HydrophobicContact CE-CG2 4.17Å; L130-I151 HydrophobicContact CD1-CG2 4.1Å; M134-I151 HydrophobicContact SD-CD1 4.4Å; I147-I151 HydrophobicContact CG2-CD1 3.82Å; I147-I151 HydrophobicContact CG2-CG1 4.45Å; I147-I151 WeakPolarHBondContact O-CG1 3.41Å; I147-I151 PolarHBondContact O-N 3.22Å; L148-I151 PolarHBondContact O-N 3.31Å; R149-I151 VanDerWaalsContact C-N 3.32Å; R149-I151 PolarHBondContact O-N 2.9Å; I151-E153 VanDerWaalsContact C-N 3.3Å; I151-E153 PolarHBondContact O-N 3.33Å; I151-A154 PolarHBondContact O-N 3.25Å; I151-A154 VanDerWaalsContact O-N 3.08Å; I151-K155 PolarHBondContact O-N 3.02Å; I151-F158 HydrophobicContact CB-CD1 4.07Å; I151-F158 HydrophobicContact CB-CE1 4.3Å; I151-F158 HydrophobicContact CD1-CE1 4.02Å; I151-F158 HydrophobicContact CD1-CZ 4.36Å; I151-F158 HydrophobicContact CG2-CB 3.87Å; I151-F158 HydrophobicContact CG2-CD1 3.29Å; I151-F158 HydrophobicContact CG2-CD2 4.03Å; I151-F158 HydrophobicContact CG2-CE1 3.7Å; I151-F158 HydrophobicContact CG2-CE2 4.39Å; I151-F158 HydrophobicContact CG2-CG 3.46Å; I151-F158 VanDerWaalsContact CG2-CG 3.46Å; I151-F158 HydrophobicContact CG2-CZ 4.22Å
152	R	90.8	Very high	83	Confident	116 Å²	116	74.5 Å²	74.5	44%	0.438	36%	0.358	S	S	.	.	H	α-helix	trans	-64.4	-31.6	178.6	-72.5	177.9	177.3	164.9	2	113.5	L148 R149 A154 K155 P156 F158 E159	L148-R152 WeakPolarHBondContact O-CG 3.41Å; L148-R152 PolarHBondContact O-N 2.9Å; R149-R152 PolarHBondContact O-N 3.31Å; R152-A154 VanDerWaalsContact C-N 3.25Å; R152-A154 PolarHBondContact O-N 3.42Å; R152-K155 CarbonylContact O-C 3.45Å; R152-P156 VanDerWaalsContact O-CA 3.3Å; R152-P156 WeakPolarHBondContact O-CA 3.47Å; R152-F158 PolarHBondContact NE-O 3.48Å; R152-E159 PolarHBondContact NH2-O 3.09Å
153	E	91.5	Very high	81.7	Confident	103 Å²	103	67 Å²	67	48%	0.481	33%	0.327	S	S	.	.	H	α-helix	trans	-60.5	-34.4	172.1	-77.7	168.2	-163.7	0	0	112.3	R149 R150 I151	R149-E153 WeakPolarHBondContact O-CG 3.43Å; R149-E153 PolarHBondContact O-N 2.98Å; R150-E153 WeakPolarHBondContact CD-OE2 3.21Å; R150-E153 IonicContact CZ-OE2 2.83Å; R150-E153 IonicContact NE-OE2 3.08Å; R150-E153 IonicContact NH1-OE1 2.86Å; R150-E153 IonicContact NH1-OE2 2.7Å; R150-E153 PolarHBondContact NH1-OE2 2.93Å; I151-E153 VanDerWaalsContact C-N 3.3Å; I151-E153 PolarHBondContact O-N 3.33Å
154	A	90.6	Very high	79.8	Confident	45 Å²	45	68.6 Å²	68.6	37%	0.372	33%	0.334	S	S	.	.	H	α-helix	trans	-99.5	-25.1	-179	0	0	0	0	0	114.3	T116 M120 R150 I151 R152	T116-A154 HydrophobicContact CG2-CB 3.72Å; M120-A154 HydrophobicContact CE-CB 3.72Å; M120-A154 HydrophobicContact CG-CB 3.92Å; M120-A154 HydrophobicContact SD-CB 4.45Å; R150-A154 PolarHBondContact O-N 3.4Å; I151-A154 PolarHBondContact O-N 3.25Å; I151-A154 VanDerWaalsContact O-N 3.08Å; R152-A154 VanDerWaalsContact C-N 3.25Å; R152-A154 PolarHBondContact O-N 3.42Å
155	K	89.6	Confident	78	Confident	58 Å²	58	73.9 Å²	73.9	25%	0.252	36%	0.36	S	S	.	.			trans	-137	84.7	176.3	-64.1	-168.2	-176.3	-179.3	0	109	D124 L130 I151 R152 E157 F158	D124-K155 IonicContact OD1-NZ 3.82Å; D124-K155 PolarHBondContact OD1-NZ 3.37Å; L130-K155 HydrophobicContact CD1-CD 3.75Å; I151-K155 PolarHBondContact O-N 3.02Å; R152-K155 CarbonylContact O-C 3.45Å; K155-E157 PolarHBondContact O-N 2.97Å; K155-F158 HydrophobicContact CB-CB 4.34Å; K155-F158 WeakPolarHBondContact O-CB 3.15Å; K155-F158 PolarHBondContact O-N 3.25Å
156	P	87.2	Confident	76.2	Confident	99 Å²	99	74.6 Å²	74.6	64%	0.643	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-32.8	-173.9	-27.7	36.2	0	0	0	114.7	R152 F158	R152-P156 VanDerWaalsContact O-CA 3.3Å; R152-P156 WeakPolarHBondContact O-CA 3.47Å; P156-F158 PolarHBondContact O-N 3.46Å
157	E	84.8	Confident	74.2	Confident	148 Å²	148	72.8 Å²	72.8	69%	0.692	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-3.2	176.7	63.1	-76.5	169.3	0	0	114.5	K155 E159	K155-E157 PolarHBondContact O-N 2.97Å; E157-E159 PolarHBondContact O-N 3.07Å
158	F	83.7	Confident	72.1	Confident	34 Å²	34	78.7 Å²	78.7	15%	0.149	38%	0.382	C	S	.	.			trans	-74	99.1	-180	-172.6	-100.9	0	0	0	112	L130 M134 L148 I151 R152 K155 P156 G160	L130-F158 HydrophobicContact CB-CD2 4.4Å; L130-F158 HydrophobicContact CB-CE2 3.7Å; L130-F158 HydrophobicContact CB-CZ 4.05Å; M134-F158 HydrophobicContact CG-CE1 4.39Å; L148-F158 HydrophobicContact CD1-CD1 4.01Å; L148-F158 HydrophobicContact CD1-CE1 3.91Å; I151-F158 HydrophobicContact CB-CD1 4.07Å; I151-F158 HydrophobicContact CB-CE1 4.3Å; I151-F158 HydrophobicContact CD1-CE1 4.02Å; I151-F158 HydrophobicContact CD1-CZ 4.36Å; I151-F158 HydrophobicContact CG2-CB 3.87Å; I151-F158 HydrophobicContact CG2-CD1 3.29Å; I151-F158 HydrophobicContact CG2-CD2 4.03Å; I151-F158 HydrophobicContact CG2-CE1 3.7Å; I151-F158 HydrophobicContact CG2-CE2 4.39Å; I151-F158 HydrophobicContact CG2-CG 3.46Å; I151-F158 VanDerWaalsContact CG2-CG 3.46Å; I151-F158 HydrophobicContact CG2-CZ 4.22Å; R152-F158 PolarHBondContact NE-O 3.48Å; K155-F158 HydrophobicContact CB-CB 4.34Å; K155-F158 WeakPolarHBondContact O-CB 3.15Å; K155-F158 PolarHBondContact O-N 3.25Å; P156-F158 PolarHBondContact O-N 3.46Å; F158-G160 VanDerWaalsContact C-N 3.26Å; F158-G160 VanDerWaalsContact CE1-CA 3.43Å; F158-G160 PolarHBondContact O-N 3.43Å
159	E	71.1	Confident	69.9	Low	129 Å²	129	81.7 Å²	81.7	60%	0.603	40%	0.402	S	S	*	.			trans	-69.1	-24.6	173.6	-68.1	-157.7	178.7	0	0	113.1	R152 E157 K162	R152-E159 PolarHBondContact NH2-O 3.09Å; E157-E159 PolarHBondContact O-N 3.07Å; E159-K162 IonicContact OE2-NZ 2.92Å; E159-K162 PolarHBondContact OE2-NZ 3.04Å
160	G	66.5	Low	67.9	Low	24 Å²	24	75.9 Å²	75.9	25%	0.247	38%	0.383	C	S	.	.			trans	78.7	174.4	-169.2	0	0	0	0	0	112.8	F158 K162	F158-G160 VanDerWaalsContact C-N 3.26Å; F158-G160 VanDerWaalsContact CE1-CA 3.43Å; F158-G160 PolarHBondContact O-N 3.43Å; G160-K162 PolarHBondContact O-N 2.6Å
161	V	60.3	Low	65.8	Low	53 Å²	53	76.4 Å²	76.4	32%	0.321	40%	0.397	S	S	.	.			trans	-79.2	104.6	171.4	-175.9	0	0	0	0	108	S131 S163 N166	S131-V161 VanDerWaalsContact CB-CG2 3.48Å; V161-S163 PolarHBondContact O-N 3.34Å; V161-S163 VanDerWaalsContact O-N 3.09Å; V161-N166 WeakPolarHBondContact CG1-ND2 3.45Å
162	K	54.3	Low	64.8	Low	106 Å²	106	80.3 Å²	80.3	46%	0.461	42%	0.416	S	S	.	.			trans	-66.4	106.6	165.1	-73.6	170.9	177.8	151.5	0	107.1	E159 G160 H164 Q165	E159-K162 IonicContact OE2-NZ 2.92Å; E159-K162 PolarHBondContact OE2-NZ 3.04Å; G160-K162 PolarHBondContact O-N 2.6Å; K162-H164 PolarHBondContact O-N 2.89Å; K162-Q165 PolarHBondContact O-N 3.22Å
163	S	53.4	Low	64.5	Low	15 Å²	15	76 Å²	76	11%	0.105	40%	0.4	C	S	.	.	H	α-helix	trans	-59.5	-23.7	-173.5	81.6	0	0	0	0	113.1	V161 Q165 N166 C167 P379 P382	V161-S163 PolarHBondContact O-N 3.34Å; V161-S163 VanDerWaalsContact O-N 3.09Å; S163-Q165 PolarHBondContact O-N 3.03Å; S163-N166 CarbonylContact O-C 3.43Å; S163-N166 WeakPolarHBondContact O-CA 3.36Å; S163-N166 PolarHBondContact O-N 3.11Å; S163-C167 PolarHBondContact O-N 2.71Å; S163-C167 PolarHBondContact O-SG 2.72Å; S163-P379 PolarHBondContact OG-O 3.06Å; S163-P382 WeakPolarHBondContact OG-CD 3.47Å; S163-P382 WeakPolarHBondContact OG-CG 3.26Å
164	H	45.8	Very low	64.2	Low	69 Å²	69	75.9 Å²	75.9	32%	0.319	40%	0.402	S	S	.	.	H	α-helix	trans	-48.7	-42.4	170.6	-63.7	-58	0	0	0	112.4	K162 N166 C167 F168 C375 P379	K162-H164 PolarHBondContact O-N 2.89Å; H164-N166 VanDerWaalsContact C-N 3.32Å; H164-N166 PolarHBondContact O-N 3.25Å; H164-C167 PolarHBondContact O-N 3Å; H164-F168 HydrophobicContact CB-CD2 4.28Å; H164-F168 HydrophobicContact CB-CE2 4.35Å; H164-F168 WeakPolarHBondContact O-CD2 3.45Å; H164-F168 PolarHBondContact O-N 3.23Å; H164-F168 VanDerWaalsContact O-N 3.14Å; H164-C375 PolarHBondContact CE1-O 3.38Å; H164-P379 WeakPolarHBondContact NE2-CB 3.34Å
165	Q	44	Very low	64.2	Low	129 Å²	129	74.2 Å²	74.2	60%	0.603	39%	0.387	S	S	*	.	H	α-helix	trans	-60.1	-43.8	177.8	-70.7	178.1	-15.8	0	0	110.4	K162 S163 T169	K162-Q165 PolarHBondContact O-N 3.22Å; S163-Q165 PolarHBondContact O-N 3.03Å; Q165-T169 VanDerWaalsContact O-CB 3.24Å; Q165-T169 WeakPolarHBondContact O-CB 3.4Å; Q165-T169 WeakPolarHBondContact O-CG2 3.09Å; Q165-T169 PolarHBondContact O-N 3.25Å; Q165-T169 PolarHBondContact O-OG1 3.17Å
166	N	46.4	Very low	64.2	Low	99 Å²	99	77.3 Å²	77.3	53%	0.529	40%	0.402	S	S	.	.	H	α-helix	trans	-77.8	-29.3	179.8	-67	-5	0	0	0	114.9	V161 S163 H164	V161-N166 WeakPolarHBondContact CG1-ND2 3.45Å; S163-N166 CarbonylContact O-C 3.43Å; S163-N166 WeakPolarHBondContact O-CA 3.36Å; S163-N166 PolarHBondContact O-N 3.11Å; H164-N166 VanDerWaalsContact C-N 3.32Å; H164-N166 PolarHBondContact O-N 3.25Å
167	C	47.7	Very low	64.6	Low	34 Å²	34	73.6 Å²	73.6	23%	0.23	38%	0.377	C	S	.	.	H	α-helix	trans	-76.1	-36.4	-178.6	-52.8	0	0	0	0	112	S163 H164 C375	S163-C167 PolarHBondContact O-N 2.71Å; S163-C167 PolarHBondContact O-SG 2.72Å; H164-C167 PolarHBondContact O-N 3Å; C167-C375 HydrophobicContact CB-CB 3.88Å; C167-C375 WeakPolarHBondContact CB-SG 3.23Å; C167-C375 WeakPolarHBondContact SG-CB 3.29Å; C167-C375 CovalentContact SG-SG 2.04Å; C167-C375 PolarHBondContact SG-SG 3.37Å
168	F	46.3	Very low	65	Low	124 Å²	124	66.7 Å²	66.7	54%	0.544	35%	0.345	S	S	.	.	H	α-helix	trans	-84.1	-22.7	176.5	-69.1	-72.7	0	0	0	112.6	H164 L372	H164-F168 HydrophobicContact CB-CD2 4.28Å; H164-F168 HydrophobicContact CB-CE2 4.35Å; H164-F168 WeakPolarHBondContact O-CD2 3.45Å; H164-F168 PolarHBondContact O-N 3.23Å; H164-F168 VanDerWaalsContact O-N 3.14Å; F168-L372 HydrophobicContact CD1-CD1 4.31Å; F168-L372 HydrophobicContact CE1-CD1 3.24Å; F168-L372 HydrophobicContact CE2-CD1 4.32Å; F168-L372 HydrophobicContact CZ-CD1 3.24Å
169	T	40.1	Very low	65.3	Low	87 Å²	87	68.1 Å²	68.1	53%	0.534	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	23.1	177.1	68.8	0	0	0	0	114.2	Q165 P171	Q165-T169 VanDerWaalsContact O-CB 3.24Å; Q165-T169 WeakPolarHBondContact O-CB 3.4Å; Q165-T169 WeakPolarHBondContact O-CG2 3.09Å; Q165-T169 PolarHBondContact O-N 3.25Å; Q165-T169 PolarHBondContact O-OG1 3.17Å; T169-P171 VanDerWaalsContact C-N 3.3Å; T169-P171 WeakPolarHBondContact O-CD 3.46Å; T169-P171 VanDerWaalsContact O-CG 3.31Å; T169-P171 WeakPolarHBondContact O-CG 3.33Å
170	N	48.5	Very low	66.1	Low	36 Å²	36	64 Å²	64	19%	0.193	35%	0.346	C	S	.	.			trans	-75	88.5	169.5	-163.7	-7	0	0	0	107.9	Q172 R367 F521	N170-Q172 VanDerWaalsContact C-N 3.31Å; N170-Q172 PolarHBondContact O-N 3.02Å; N170-R367 PolarHBondContact ND2-NH1 3.38Å; N170-R367 VanDerWaalsContact ND2-NH1 3.16Å; N170-F521 VanDerWaalsContact CG-CE2 3.5Å; N170-F521 WeakPolarHBondContact ND2-CE2 3.48Å; N170-F521 VanDerWaalsContact ND2-CZ 3.28Å; N170-F521 WeakPolarHBondContact ND2-CZ 3.46Å; N170-F521 WeakPolarHBondContact OD1-CE2 3.44Å
171	P	48	Very low	67.1	Low	96 Å²	96	64.3 Å²	64.3	62%	0.623	34%	0.342	S	S	*	.			trans	-87	83.2	-155.9	28.1	-10.9	0	0	0	106.5	T169	T169-P171 VanDerWaalsContact C-N 3.3Å; T169-P171 WeakPolarHBondContact O-CD 3.46Å; T169-P171 VanDerWaalsContact O-CG 3.31Å; T169-P171 WeakPolarHBondContact O-CG 3.33Å
172	Q	69.6	Low	67.8	Low	83 Å²	83	67.6 Å²	67.6	39%	0.388	35%	0.349	S	S	.	.	S	Bend	trans	58.1	-177.5	173.8	-63.4	154.8	-7.3	0	0	111.9	N170 R182	N170-Q172 VanDerWaalsContact C-N 3.31Å; N170-Q172 PolarHBondContact O-N 3.02Å; Q172-R182 VanDerWaalsContact CD-CD 3.47Å; Q172-R182 HydrophobicContact CG-CG 3.97Å
173	Y	86.2	Confident	68.7	Low	26 Å²	26	67.1 Å²	67.1	10%	0.102	36%	0.355	C	S	.	.			trans	-75.3	143.5	-179.8	-57.3	-82.2	0	0	0	110	C175 L178 L181 F521 P522 D525	Y173-C175 PolarHBondContact O-N 3.01Å; Y173-L178 VanDerWaalsContact CB-CD1 3.49Å; Y173-L178 HydrophobicContact CD1-CD1 3.69Å; Y173-L178 HydrophobicContact CD2-CB 3.52Å; Y173-L178 HydrophobicContact CD2-CD1 3.59Å; Y173-L178 HydrophobicContact CD2-CG 4.1Å; Y173-L178 HydrophobicContact CE1-CD1 4.23Å; Y173-L178 HydrophobicContact CE2-CB 4.26Å; Y173-L178 HydrophobicContact CE2-CD1 4.15Å; Y173-L178 HydrophobicContact CG-CB 3.95Å; Y173-L178 HydrophobicContact CG-CD1 3.3Å; Y173-L178 HydrophobicContact CG-CG 4.24Å; Y173-L181 HydrophobicContact CD2-CD1 4.4Å; Y173-L181 HydrophobicContact CE2-CD1 3.69Å; Y173-F521 HydrophobicContact CD1-CB 4.01Å; Y173-F521 HydrophobicContact CE1-CB 4.14Å; Y173-P522 HydrophobicContact CD1-CB 4.31Å; Y173-P522 HydrophobicContact CD1-CG 3.63Å; Y173-P522 HydrophobicContact CE1-CB 4.43Å; Y173-P522 HydrophobicContact CE1-CG 4.21Å; Y173-P522 HydrophobicContact CG-CG 4.33Å; Y173-D525 HydrophobicContact CE1-CB 4.4Å; Y173-D525 WeakPolarHBondContact CE1-OD2 3.47Å; Y173-D525 PolarHBondContact OH-OD2 2.77Å; Y173-D525 VanDerWaalsContact OH-OD2 3.05Å
174	L	84.4	Confident	69.6	Low	100 Å²	100	70.9 Å²	70.9	52%	0.524	38%	0.378	S	S	.	.	S	Bend	trans	-71.3	41.7	169.3	-65.8	176.8	0	0	0	112.1	E518 N904	L174-E518 HydrophobicContact CD1-CB 3.84Å; L174-N904 PolarHBondContact O-ND2 3.47Å
175	C	90	Very high	70.7	Confident	10 Å²	10	70.8 Å²	70.8	7%	0.068	38%	0.382	C	S	.	.			trans	-150.4	115.6	-170.1	-176.6	0	0	0	0	110.9	Y173 L177 L178 P902	Y173-C175 PolarHBondContact O-N 3.01Å; C175-L177 PolarHBondContact O-N 2.91Å; C175-L177 VanDerWaalsContact O-N 3.17Å; C175-L178 HydrophobicContact CB-CD1 4.11Å; C175-L178 HydrophobicContact CB-CG 4.44Å; C175-L178 PolarHBondContact O-N 3.06Å; C175-P902 PolarHBondContact SG-O 2.73Å
176	E	90.7	Very high	71.9	Confident	123 Å²	123	70.2 Å²	70.2	58%	0.575	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-57.6	-28.9	179.8	-64.4	170.5	-173.6	0	0	113.1	L178 D179 R1014	E176-L178 PolarHBondContact O-N 3.37Å; E176-L178 VanDerWaalsContact O-N 3.08Å; E176-D179 WeakPolarHBondContact O-CB 3.44Å; E176-D179 VanDerWaalsContact O-CG 3.28Å; E176-D179 PolarHBondContact O-N 3.25Å; E176-R1014 IonicContact OE2-CZ 3.07Å; E176-R1014 IonicContact OE2-NH1 3.31Å; E176-R1014 PolarHBondContact OE2-NH1 3.18Å; E176-R1014 IonicContact OE2-NH2 2.71Å; E176-R1014 PolarHBondContact OE2-NH2 3.15Å
177	L	95	Very high	73.1	Confident	20 Å²	20	68.1 Å²	68.1	11%	0.105	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-63.3	-16.2	177.5	-66	170.4	0	0	0	113	C175 P902 L903 L971 A1010 L1011 R1014	C175-L177 PolarHBondContact O-N 2.91Å; C175-L177 VanDerWaalsContact O-N 3.17Å; L177-P902 HydrophobicContact CD1-CB 3.86Å; L177-L903 HydrophobicContact CD1-CD2 4.48Å; L177-L971 HydrophobicContact CB-CD2 3.86Å; L177-L971 HydrophobicContact CD1-CD1 4.23Å; L177-A1010 HydrophobicContact CD2-CB 4.03Å; L177-A1010 WeakPolarHBondContact CD2-O 3.34Å; L177-L1011 HydrophobicContact CD1-CD1 4.13Å; L177-R1014 HydrophobicContact CD1-CG 4.3Å; L177-R1014 HydrophobicContact CD2-CG 3.97Å; L177-R1014 HydrophobicContact CG-CG 4.4Å
178	L	93.6	Very high	73.8	Confident	3 Å²	3	75.7 Å²	75.7	2%	0.016	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-107.6	8.3	-177.2	-60.2	171.3	0	0	0	112.4	Y173 C175 E176 G180 L181 P522 L903 L971 L974 F975	Y173-L178 VanDerWaalsContact CB-CD1 3.49Å; Y173-L178 HydrophobicContact CD1-CD1 3.69Å; Y173-L178 HydrophobicContact CD2-CB 3.52Å; Y173-L178 HydrophobicContact CD2-CD1 3.59Å; Y173-L178 HydrophobicContact CD2-CG 4.1Å; Y173-L178 HydrophobicContact CE1-CD1 4.23Å; Y173-L178 HydrophobicContact CE2-CB 4.26Å; Y173-L178 HydrophobicContact CE2-CD1 4.15Å; Y173-L178 HydrophobicContact CG-CB 3.95Å; Y173-L178 HydrophobicContact CG-CD1 3.3Å; Y173-L178 HydrophobicContact CG-CG 4.24Å; C175-L178 HydrophobicContact CB-CD1 4.11Å; C175-L178 HydrophobicContact CB-CG 4.44Å; C175-L178 PolarHBondContact O-N 3.06Å; E176-L178 PolarHBondContact O-N 3.37Å; E176-L178 VanDerWaalsContact O-N 3.08Å; L178-G180 PolarHBondContact O-N 3.42Å; L178-L181 HydrophobicContact CB-CD1 4.23Å; L178-L181 HydrophobicContact CD2-CD1 3.72Å; L178-L181 WeakPolarHBondContact O-CB 3.31Å; L178-L181 PolarHBondContact O-N 3.22Å; L178-P522 HydrophobicContact CD1-CB 3.75Å; L178-P522 HydrophobicContact CD1-CG 3.52Å; L178-L903 HydrophobicContact CD1-CD2 4.11Å; L178-L903 HydrophobicContact CD2-CD2 4.49Å; L178-L903 HydrophobicContact CG-CD2 4.29Å; L178-L971 HydrophobicContact CD2-CD2 3.64Å; L178-L971 HydrophobicContact CG-CD2 4.36Å; L178-L974 HydrophobicContact CD1-CD1 4.39Å; L178-L974 HydrophobicContact CD2-CD1 3.77Å; L178-F975 HydrophobicContact CD2-CE2 4.19Å
179	D	89.9	Confident	75.1	Confident	64 Å²	64	71.9 Å²	71.9	34%	0.342	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-62.2	-27.8	178.8	-71.9	-13.9	0	0	0	112.9	E176 L181 R182	E176-D179 WeakPolarHBondContact O-CB 3.44Å; E176-D179 VanDerWaalsContact O-CG 3.28Å; E176-D179 PolarHBondContact O-N 3.25Å; D179-L181 PolarHBondContact O-N 3.37Å; D179-R182 VanDerWaalsContact O-CB 3.31Å; D179-R182 WeakPolarHBondContact O-CB 3.36Å; D179-R182 WeakPolarHBondContact O-CD 3.41Å; D179-R182 WeakPolarHBondContact O-CG 3.48Å; D179-R182 PolarHBondContact O-N 3.37Å; D179-R182 IonicContact OD1-CZ 2.8Å; D179-R182 IonicContact OD1-NE 2.67Å; D179-R182 PolarHBondContact OD1-NE 2.98Å; D179-R182 IonicContact OD1-NH2 2.88Å; D179-R182 PolarHBondContact OD1-NH2 2.85Å; D179-R182 IonicContact OD2-NH2 3.17Å
180	G	86.6	Confident	77	Confident	43 Å²	43	68.3 Å²	68.3	44%	0.443	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-64.4	-19.3	173.7	0	0	0	0	0	114.2	L178 R182	L178-G180 PolarHBondContact O-N 3.42Å; G180-R182 PolarHBondContact O-N 3.42Å
181	L	87.5	Confident	78.6	Confident	30 Å²	30	68.1 Å²	68.1	16%	0.157	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-82.4	-2.2	179.2	-56.5	-178.1	0	0	0	113.2	Y173 L178 D179 L974 F975 H978	Y173-L181 HydrophobicContact CD2-CD1 4.4Å; Y173-L181 HydrophobicContact CE2-CD1 3.69Å; L178-L181 HydrophobicContact CB-CD1 4.23Å; L178-L181 HydrophobicContact CD2-CD1 3.72Å; L178-L181 WeakPolarHBondContact O-CB 3.31Å; L178-L181 PolarHBondContact O-N 3.22Å; D179-L181 PolarHBondContact O-N 3.37Å; L181-L974 HydrophobicContact CD1-CB 3.92Å; L181-F975 HydrophobicContact CD1-CE2 4.45Å; L181-F975 HydrophobicContact CD2-CD1 3.64Å; L181-F975 HydrophobicContact CD2-CD2 3.95Å; L181-F975 HydrophobicContact CD2-CE1 3.71Å; L181-F975 HydrophobicContact CD2-CE2 4.03Å; L181-F975 HydrophobicContact CD2-CG 3.78Å; L181-F975 HydrophobicContact CD2-CZ 3.91Å; L181-F975 HydrophobicContact CG-CD2 4.4Å; L181-F975 HydrophobicContact CG-CE1 4.22Å; L181-F975 HydrophobicContact CG-CE2 4.06Å; L181-F975 HydrophobicContact CG-CZ 3.96Å; L181-H978 HydrophobicContact CD2-CB 3.63Å
182	R	76.7	Confident	80.4	Confident	122 Å²	122	63.8 Å²	63.8	46%	0.46	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-77.3	-23.4	-178	-58.6	179.8	-179	-149.1	8.5	112.9	Q172 D179 G180	Q172-R182 VanDerWaalsContact CD-CD 3.47Å; Q172-R182 HydrophobicContact CG-CG 3.97Å; D179-R182 VanDerWaalsContact O-CB 3.31Å; D179-R182 WeakPolarHBondContact O-CB 3.36Å; D179-R182 WeakPolarHBondContact O-CD 3.41Å; D179-R182 WeakPolarHBondContact O-CG 3.48Å; D179-R182 PolarHBondContact O-N 3.37Å; D179-R182 IonicContact OD1-CZ 2.8Å; D179-R182 IonicContact OD1-NE 2.67Å; D179-R182 PolarHBondContact OD1-NE 2.98Å; D179-R182 IonicContact OD1-NH2 2.88Å; D179-R182 PolarHBondContact OD1-NH2 2.85Å; D179-R182 IonicContact OD2-NH2 3.17Å; G180-R182 PolarHBondContact O-N 3.42Å
183	V	72.8	Confident	81	Confident	97 Å²	97	63.1 Å²	63.1	59%	0.588	34%	0.34	S	S	*	.	S	Bend	trans	-93.6	120.8	-176.9	-177.1	0	0	0	0	108.8	V185 H978	V183-V185 PolarHBondContact O-N 2.95Å; V183-H978 PolarHBondContact O-CE1 2.84Å; V183-H978 PolarHBondContact O-NE2 2.74Å
184	P	71.4	Confident	81	Confident	93 Å²	93	65.1 Å²	65.1	60%	0.604	37%	0.369	S	S	*	.			trans	-59	131.1	172.2	-21.1	32.1	0	0	0	110.6
185	V	70.1	Confident	81.4	Confident	67 Å²	67	61.8 Å²	61.8	41%	0.406	35%	0.351	S	S	.	.			trans	-104.6	133.1	174.4	176.6	0	0	0	0	108.4	V183 R187 H978	V183-V185 PolarHBondContact O-N 2.95Å; V185-R187 PolarHBondContact O-N 3.09Å; V185-H978 VanDerWaalsContact CG2-NE2 3.29Å; V185-H978 WeakPolarHBondContact CG2-NE2 3.44Å
186	S	68.2	Low	81.4	Confident	117 Å²	117	62.5 Å²	62.5	82%	0.818	35%	0.353	S	S	*	.			trans	-60.9	122.8	171.1	-177.1	0	0	0	0	109.4
187	R	71	Confident	81.4	Confident	56 Å²	56	59.5 Å²	59.5	21%	0.211	34%	0.341	C	S	.	.			trans	-104	124	178	-62.5	-170.9	-172.9	151.4	12.9	109.7	V185 S361 V362 H978	V185-R187 PolarHBondContact O-N 3.09Å; R187-S361 PolarHBondContact NH1-O 3.24Å; R187-S361 PolarHBondContact NH2-O 3.07Å; R187-V362 HydrophobicContact CB-CG2 4.36Å; R187-V362 HydrophobicContact CG-CG2 4.37Å; R187-H978 PolarHBondContact NE-O 3.45Å; R187-H978 VanDerWaalsContact NE-O 3.14Å
188	E	64.4	Low	81.2	Confident	193 Å²	193	64.2 Å²	64.2	90%	0.902	36%	0.36	S	S	*	.	S	Bend	trans	-78.4	-12.8	169.1	-64	-179.9	172.1	0	0	112.3
189	W	72.5	Confident	81.2	Confident	43 Å²	43	71.8 Å²	71.8	16%	0.163	40%	0.396	C	S	.	.			trans	-148.1	141	-169.2	-169.6	85.5	0	0	0	112.8	T191 K656 R658 T982 H993	W189-T191 HydrophobicContact CE3-CG2 4.34Å; W189-T191 VanDerWaalsContact CH2-CA 3.49Å; W189-T191 HydrophobicContact CH2-CG2 3.86Å; W189-T191 HydrophobicContact CZ3-CG2 3.36Å; W189-K656 HydrophobicContact CH2-CG 4.34Å; W189-K656 HydrophobicContact CZ2-CB 4.49Å; W189-K656 HydrophobicContact CZ2-CG 3.64Å; W189-R658 HydrophobicContact CZ2-CB 4.41Å; W189-T982 WeakPolarHBondContact CH2-OG1 3.3Å; W189-H993 AromaticContact CH2-NE2 3.85Å
190	N	79.7	Confident	81.4	Confident	13 Å²	13	74.6 Å²	74.6	7%	0.07	41%	0.405	C	S	.	.			trans	-120.9	135	174.1	-179.4	-13.9	0	0	0	110.4	H192 D193 N358 S361	N190-H192 PolarHBondContact O-N 3.05Å; N190-H192 VanDerWaalsContact O-N 3.14Å; N190-H192 PolarHBondContact OD1-N 3.17Å; N190-D193 HydrophobicContact CB-CB 4.1Å; N190-D193 PolarHBondContact O-N 3.08Å; N190-N358 PolarHBondContact ND2-OD1 2.87Å; N190-S361 PolarHBondContact ND2-OG 2.68Å
191	T	82	Confident	81.9	Confident	31 Å²	31	72.6 Å²	72.6	19%	0.19	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-18.8	177.9	44.5	0	0	0	0	115.1	W189 K656	W189-T191 HydrophobicContact CE3-CG2 4.34Å; W189-T191 VanDerWaalsContact CH2-CA 3.49Å; W189-T191 HydrophobicContact CH2-CG2 3.86Å; W189-T191 HydrophobicContact CZ3-CG2 3.36Å; T191-K656 WeakPolarHBondContact O-CB 3.34Å
192	H	86	Confident	82.3	Confident	5 Å²	5	74 Å²	74	2%	0.023	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-10.4	-171.9	-51.4	-47.2	0	0	0	114.1	N190 G194 L195 F355 G532	N190-H192 PolarHBondContact O-N 3.05Å; N190-H192 VanDerWaalsContact O-N 3.14Å; N190-H192 PolarHBondContact OD1-N 3.17Å; H192-G194 PolarHBondContact O-N 2.86Å; H192-L195 WeakPolarHBondContact O-CB 3.12Å; H192-L195 PolarHBondContact O-N 3.41Å; H192-L195 VanDerWaalsContact O-N 3.15Å; H192-F355 HydrophobicContact CB-CB 4.39Å; H192-F355 HydrophobicContact CB-CD1 4.15Å; H192-F355 AromaticContact CD2-CD1 3.64Å; H192-F355 AromaticContact CE1-CE1 3.99Å; H192-F355 AromaticContact CG-CD1 3.62Å; H192-F355 AromaticContact ND1-CD1 3.92Å; H192-F355 AromaticContact NE2-CD1 3.96Å; H192-F355 AromaticContact NE2-CE1 3.85Å; H192-G532 PolarHBondContact CE1-O 2.92Å; H192-G532 VanDerWaalsContact CE1-O 3.26Å
193	D	83	Confident	83.3	Confident	70 Å²	70	72 Å²	72	37%	0.374	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	132.8	-171.5	177.9	52.9	0	0	0	112.4	N190 L195 K656	N190-D193 HydrophobicContact CB-CB 4.1Å; N190-D193 PolarHBondContact O-N 3.08Å; D193-L195 PolarHBondContact O-N 3.49Å; D193-K656 WeakPolarHBondContact O-CD 3.43Å; D193-K656 VanDerWaalsContact O-CE 3.29Å; D193-K656 WeakPolarHBondContact O-CE 3.36Å; D193-K656 PolarHBondContact O-NZ 3.34Å; D193-K656 IonicContact OD2-NZ 2.76Å
194	G	86.3	Confident	84.4	Confident	68 Å²	68	68 Å²	68	70%	0.701	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	-2.6	179.6	0	0	0	0	0	116.7	H192	H192-G194 PolarHBondContact O-N 2.86Å
195	L	91.4	Very high	85.7	Confident	30 Å²	30	64.2 Å²	64.2	16%	0.157	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-33.3	176.1	-71.5	-175.6	0	0	0	112.6	H192 D193 P534 A655 K656	H192-L195 WeakPolarHBondContact O-CB 3.12Å; H192-L195 PolarHBondContact O-N 3.41Å; H192-L195 VanDerWaalsContact O-N 3.15Å; D193-L195 PolarHBondContact O-N 3.49Å; L195-P534 HydrophobicContact CD1-CB 4.3Å; L195-P534 HydrophobicContact CD1-CG 3.68Å; L195-A655 HydrophobicContact CD1-CB 3.96Å; L195-A655 HydrophobicContact CD2-CB 4.44Å; L195-K656 HydrophobicContact CD1-CB 3.81Å; L195-K656 HydrophobicContact CD2-CB 4.26Å; L195-K656 HydrophobicContact CD2-CD 4.38Å; L195-K656 HydrophobicContact CG-CB 4.09Å; L195-K656 HydrophobicContact CG-CD 4.28Å
196	F	90.6	Very high	87	Confident	24 Å²	24	63.9 Å²	63.9	11%	0.105	36%	0.36	C	S	.	.			trans	-133.7	152.1	-168.1	-54.3	-71.2	0	0	0	112.4	L201 F355 P534 I620 W622	F196-L201 HydrophobicContact CB-CD1 3.92Å; F196-L201 HydrophobicContact CB-CD2 4.05Å; F196-L201 HydrophobicContact CB-CG 3.81Å; F196-L201 HydrophobicContact CD1-CD2 3.84Å; F196-L201 HydrophobicContact CD1-CG 4.36Å; F196-L201 HydrophobicContact CD2-CD2 4.41Å; F196-L201 HydrophobicContact CE1-CD2 4.47Å; F196-L201 HydrophobicContact CG-CD2 3.82Å; F196-L201 HydrophobicContact CG-CG 4.17Å; F196-F355 HydrophobicContact CD2-CB 4.37Å; F196-P534 HydrophobicContact CZ-CB 4.48Å; F196-I620 HydrophobicContact CE1-CB 4.43Å; F196-I620 HydrophobicContact CE1-CD1 3.61Å; F196-I620 HydrophobicContact CE1-CG2 4.38Å; F196-I620 HydrophobicContact CZ-CB 4.47Å; F196-I620 HydrophobicContact CZ-CD1 3.78Å; F196-I620 HydrophobicContact CZ-CG2 3.94Å; F196-W622 AromaticContact CE1-CH2 3.68Å; F196-W622 HydrophobicContact CE1-CH2 3.68Å; F196-W622 AromaticContact CE1-CZ2 3.77Å; F196-W622 HydrophobicContact CE1-CZ2 3.77Å; F196-W622 HydrophobicContact CE2-CZ2 4.11Å; F196-W622 AromaticContact CZ-CH2 3.71Å; F196-W622 HydrophobicContact CZ-CH2 3.71Å; F196-W622 AromaticContact CZ-CZ2 3.31Å; F196-W622 HydrophobicContact CZ-CZ2 3.31Å
197	D	91.8	Very high	88.4	Confident	60 Å²	60	63.3 Å²	63.3	32%	0.321	34%	0.34	S	S	.	.			trans	-121.6	168.6	161.3	61	56.7	0	0	0	108.6	Q199 K200 L201	D197-Q199 PolarHBondContact O-N 3.29Å; D197-Q199 WeakPolarHBondContact OD1-CA 3.48Å; D197-Q199 WeakPolarHBondContact OD1-CB 3.27Å; D197-Q199 PolarHBondContact OD1-N 2.97Å; D197-K200 PolarHBondContact O-N 2.95Å; D197-K200 PolarHBondContact OD1-N 3.11Å; D197-K200 VanDerWaalsContact OD2-CD 3.31Å; D197-K200 WeakPolarHBondContact OD2-CD 3.23Å; D197-K200 VanDerWaalsContact OD2-CE 3.31Å; D197-K200 WeakPolarHBondContact OD2-CE 3.26Å; D197-K200 WeakPolarHBondContact OD2-CG 3.5Å; D197-K200 IonicContact OD2-NZ 3.6Å; D197-L201 PolarHBondContact O-N 3.16Å; D197-L201 VanDerWaalsContact O-N 3.09Å
198	K	89.9	Confident	89.6	Confident	119 Å²	119	60.8 Å²	60.8	52%	0.517	33%	0.331	S	S	.	.	H	α-helix	trans	-58.1	-33.7	-178.5	-66.3	-167.2	-177.6	-167.5	0	112.4	A202 E353	K198-A202 WeakPolarHBondContact O-CB 3.44Å; K198-A202 PolarHBondContact O-N 3.42Å; K198-E353 IonicContact NZ-OE1 3.18Å; K198-E353 PolarHBondContact NZ-OE1 3.5Å
199	Q	93.9	Very high	91.1	Very high	163 Å²	163	52.2 Å²	52.2	76%	0.762	29%	0.291	S	S	*	.	H	α-helix	trans	-74.2	-43.7	-178.1	-63.6	-176.8	-0.8	0	0	111.8	D197 L201 A202 S203	D197-Q199 PolarHBondContact O-N 3.29Å; D197-Q199 WeakPolarHBondContact OD1-CA 3.48Å; D197-Q199 WeakPolarHBondContact OD1-CB 3.27Å; D197-Q199 PolarHBondContact OD1-N 2.97Å; Q199-L201 VanDerWaalsContact C-N 3.33Å; Q199-L201 PolarHBondContact O-N 2.95Å; Q199-A202 PolarHBondContact O-N 3.34Å; Q199-S203 WeakPolarHBondContact O-CB 2.99Å; Q199-S203 PolarHBondContact O-N 3.03Å
200	K	94.5	Very high	92.2	Very high	122 Å²	122	56.5 Å²	56.5	53%	0.53	31%	0.311	S	S	.	.	H	α-helix	trans	-59.3	-44.1	174.2	-74.9	177.9	-174.6	171.2	0	111.2	D197 S203 A204	D197-K200 PolarHBondContact O-N 2.95Å; D197-K200 PolarHBondContact OD1-N 3.11Å; D197-K200 VanDerWaalsContact OD2-CD 3.31Å; D197-K200 WeakPolarHBondContact OD2-CD 3.23Å; D197-K200 VanDerWaalsContact OD2-CE 3.31Å; D197-K200 WeakPolarHBondContact OD2-CE 3.26Å; D197-K200 WeakPolarHBondContact OD2-CG 3.5Å; D197-K200 IonicContact OD2-NZ 3.6Å; K200-S203 PolarHBondContact O-N 3.06Å; K200-A204 VanDerWaalsContact O-CB 3.22Å; K200-A204 WeakPolarHBondContact O-CB 3.32Å; K200-A204 PolarHBondContact O-N 3.41Å
201	L	95.7	Very high	92.9	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-65.5	-40.8	177.1	-71	169.8	0	0	0	112.3	F196 D197 Q199 A204 F205 A352 F355 V356 P478	F196-L201 HydrophobicContact CB-CD1 3.92Å; F196-L201 HydrophobicContact CB-CD2 4.05Å; F196-L201 HydrophobicContact CB-CG 3.81Å; F196-L201 HydrophobicContact CD1-CD2 3.84Å; F196-L201 HydrophobicContact CD1-CG 4.36Å; F196-L201 HydrophobicContact CD2-CD2 4.41Å; F196-L201 HydrophobicContact CE1-CD2 4.47Å; F196-L201 HydrophobicContact CG-CD2 3.82Å; F196-L201 HydrophobicContact CG-CG 4.17Å; D197-L201 PolarHBondContact O-N 3.16Å; D197-L201 VanDerWaalsContact O-N 3.09Å; Q199-L201 VanDerWaalsContact C-N 3.33Å; Q199-L201 PolarHBondContact O-N 2.95Å; L201-A204 PolarHBondContact O-N 3.42Å; L201-F205 WeakPolarHBondContact O-CB 3.28Å; L201-F205 PolarHBondContact O-N 2.86Å; L201-A352 HydrophobicContact CB-CB 4.33Å; L201-A352 HydrophobicContact CD1-CB 3.97Å; L201-F355 HydrophobicContact CD1-CB 3.99Å; L201-V356 HydrophobicContact CD1-CG2 3.86Å; L201-P478 HydrophobicContact CD2-CG 3.86Å
202	A	96.1	Very high	93.5	Very high	59 Å²	59	56.1 Å²	56.1	49%	0.488	31%	0.307	S	S	.	.	H	α-helix	trans	-64.1	-42.4	175.7	0	0	0	0	0	112.1	K198 Q199 F205 A206	K198-A202 WeakPolarHBondContact O-CB 3.44Å; K198-A202 PolarHBondContact O-N 3.42Å; Q199-A202 PolarHBondContact O-N 3.34Å; A202-F205 PolarHBondContact O-N 2.76Å; A202-A206 PolarHBondContact O-N 2.9Å
203	S	97.2	Very high	93.7	Very high	81 Å²	81	59.8 Å²	59.8	57%	0.566	33%	0.326	S	S	*	.	H	α-helix	trans	-64.1	-46	175.8	-178.8	0	0	0	0	111.9	Q199 K200 F205 A206 R207	Q199-S203 WeakPolarHBondContact O-CB 2.99Å; Q199-S203 PolarHBondContact O-N 3.03Å; K200-S203 PolarHBondContact O-N 3.06Å; S203-F205 PolarHBondContact O-N 3.05Å; S203-A206 PolarHBondContact O-N 3.01Å; S203-R207 WeakPolarHBondContact O-CB 3.3Å; S203-R207 PolarHBondContact O-N 2.58Å
204	A	97.4	Very high	94	Very high	13 Å²	13	60.5 Å²	60.5	11%	0.107	33%	0.33	C	S	.	.	H	α-helix	trans	-57.5	-46.5	174.2	0	0	0	0	0	112	K200 L201 R207 Q208 V476 C477	K200-A204 VanDerWaalsContact O-CB 3.22Å; K200-A204 WeakPolarHBondContact O-CB 3.32Å; K200-A204 PolarHBondContact O-N 3.41Å; L201-A204 PolarHBondContact O-N 3.42Å; A204-R207 PolarHBondContact O-N 2.82Å; A204-Q208 WeakPolarHBondContact O-CB 3.47Å; A204-Q208 PolarHBondContact O-N 3.23Å; A204-V476 VanDerWaalsContact CB-O 3.28Å; A204-V476 WeakPolarHBondContact CB-O 3.2Å; A204-C477 HydrophobicContact CB-CB 3.83Å
205	F	97.4	Very high	93.9	Very high	14 Å²	14	58.8 Å²	58.8	6%	0.061	31%	0.312	C	S	.	.	H	α-helix	trans	-59.5	-47.2	175.6	175.9	-86.7	0	0	0	111.7	L201 A202 S203 R207 Q208 M209 R345 Y348 L491	L201-F205 WeakPolarHBondContact O-CB 3.28Å; L201-F205 PolarHBondContact O-N 2.86Å; A202-F205 PolarHBondContact O-N 2.76Å; S203-F205 PolarHBondContact O-N 3.05Å; F205-R207 VanDerWaalsContact C-N 3.31Å; F205-R207 PolarHBondContact O-N 2.82Å; F205-Q208 PolarHBondContact O-N 2.91Å; F205-M209 HydrophobicContact CE1-CB 4.49Å; F205-M209 HydrophobicContact CE1-CE 3.68Å; F205-M209 HydrophobicContact CE2-CE 4.19Å; F205-M209 HydrophobicContact CZ-CE 3.32Å; F205-M209 VanDerWaalsContact O-CB 3.27Å; F205-M209 WeakPolarHBondContact O-CB 3.41Å; F205-M209 PolarHBondContact O-N 2.8Å; F205-R345 HydrophobicContact CE1-CB 4.02Å; F205-R345 HydrophobicContact CE1-CG 3.68Å; F205-R345 HydrophobicContact CZ-CB 3.89Å; F205-R345 HydrophobicContact CZ-CG 4.04Å; F205-Y348 HydrophobicContact CB-CD1 4.22Å; F205-Y348 HydrophobicContact CB-CE1 3.89Å; F205-Y348 AromaticContact CD2-CD1 3.27Å; F205-Y348 HydrophobicContact CD2-CD1 3.27Å; F205-Y348 AromaticContact CD2-CD2 3.86Å; F205-Y348 HydrophobicContact CD2-CD2 3.86Å; F205-Y348 AromaticContact CD2-CE1 3.51Å; F205-Y348 HydrophobicContact CD2-CE1 3.51Å; F205-Y348 HydrophobicContact CD2-CE2 4.05Å; F205-Y348 AromaticContact CD2-CG 3.47Å; F205-Y348 HydrophobicContact CD2-CG 3.47Å; F205-Y348 VanDerWaalsContact CD2-CG 3.47Å; F205-Y348 AromaticContact CD2-CZ 3.89Å; F205-Y348 AromaticContact CE2-CD1 3.79Å; F205-Y348 HydrophobicContact CE2-CD1 3.79Å; F205-Y348 AromaticContact CE2-CD2 3.93Å; F205-Y348 HydrophobicContact CE2-CD2 3.93Å; F205-Y348 HydrophobicContact CE2-CE1 4.41Å; F205-Y348 AromaticContact CE2-CG 3.52Å; F205-Y348 HydrophobicContact CE2-CG 3.52Å; F205-Y348 AromaticContact CG-CD1 3.93Å; F205-Y348 HydrophobicContact CG-CD1 3.93Å; F205-Y348 HydrophobicContact CG-CE1 4.05Å; F205-Y348 HydrophobicContact CG-CG 4.49Å; F205-L491 HydrophobicContact CD2-CD1 3.68Å; F205-L491 HydrophobicContact CD2-CD2 3.98Å; F205-L491 HydrophobicContact CD2-CG 4.5Å; F205-L491 HydrophobicContact CE2-CD1 3.68Å; F205-L491 HydrophobicContact CE2-CD2 3.7Å; F205-L491 HydrophobicContact CE2-CG 4.25Å; F205-L491 HydrophobicContact CG-CD1 4.27Å; F205-L491 HydrophobicContact CZ-CD1 4.21Å
206	A	97.4	Very high	93.7	Very high	59 Å²	59	61.1 Å²	61.1	49%	0.488	32%	0.321	S	S	.	.	H	α-helix	trans	-61.8	-40	178.9	0	0	0	0	0	112	A202 S203 K210	A202-A206 PolarHBondContact O-N 2.9Å; S203-A206 PolarHBondContact O-N 3.01Å; A206-K210 PolarHBondContact O-N 3.33Å
207	R	97.5	Very high	93.8	Very high	106 Å²	106	60.3 Å²	60.3	40%	0.4	32%	0.318	S	S	.	.	H	α-helix	trans	-65.3	-44.9	176	-174	169.4	60.4	161.7	0.4	112	S203 A204 F205 K210 I211 V476 D619	S203-R207 WeakPolarHBondContact O-CB 3.3Å; S203-R207 PolarHBondContact O-N 2.58Å; A204-R207 PolarHBondContact O-N 2.82Å; F205-R207 VanDerWaalsContact C-N 3.31Å; F205-R207 PolarHBondContact O-N 2.82Å; R207-K210 PolarHBondContact O-N 3.44Å; R207-I211 HydrophobicContact CG-CD1 4.4Å; R207-I211 WeakPolarHBondContact O-CG1 3.41Å; R207-I211 PolarHBondContact O-N 3.45Å; R207-I211 VanDerWaalsContact O-N 3.07Å; R207-V476 HydrophobicContact CB-CG2 4.28Å; R207-V476 HydrophobicContact CG-CG2 4.11Å; R207-D619 IonicContact CZ-OD1 3.85Å; R207-D619 IonicContact NH1-OD1 3.94Å; R207-D619 PolarHBondContact NH1-OD1 3.3Å; R207-D619 IonicContact NH1-OD2 3.85Å; R207-D619 IonicContact NH2-OD1 2.92Å; R207-D619 PolarHBondContact NH2-OD1 3.37Å
208	Q	97.5	Very high	93.8	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.009	33%	0.328	C	S	.	.	H	α-helix	trans	-64.9	-43.2	176.6	-177.5	62.5	40.8	0	0	111.6	A204 F205 K210 I211 E212 M475 V476 C477 L491	A204-Q208 WeakPolarHBondContact O-CB 3.47Å; A204-Q208 PolarHBondContact O-N 3.23Å; F205-Q208 PolarHBondContact O-N 2.91Å; Q208-K210 VanDerWaalsContact C-N 3.29Å; Q208-K210 PolarHBondContact O-N 2.92Å; Q208-I211 WeakPolarHBondContact O-CB 3.44Å; Q208-I211 PolarHBondContact O-N 3.41Å; Q208-E212 PolarHBondContact NE2-OE1 2.85Å; Q208-E212 PolarHBondContact O-N 3.43Å; Q208-M475 HydrophobicContact CG-CE 3.69Å; Q208-V476 HydrophobicContact CB-CG2 3.94Å; Q208-C477 HydrophobicContact CB-CB 4.34Å; Q208-L491 HydrophobicContact CB-CD1 3.87Å; Q208-L491 HydrophobicContact CG-CD1 3.71Å; Q208-L491 HydrophobicContact CG-CG 4.04Å
209	M	95.6	Very high	94.1	Very high	13 Å²	13	57.5 Å²	57.5	6%	0.064	30%	0.303	C	S	.	.	H	α-helix	trans	-57.7	-43.9	176.7	-178.3	66.9	72.6	0	0	110.9	F205 E212 L213 L491 I492	F205-M209 HydrophobicContact CE1-CB 4.49Å; F205-M209 HydrophobicContact CE1-CE 3.68Å; F205-M209 HydrophobicContact CE2-CE 4.19Å; F205-M209 HydrophobicContact CZ-CE 3.32Å; F205-M209 VanDerWaalsContact O-CB 3.27Å; F205-M209 WeakPolarHBondContact O-CB 3.41Å; F205-M209 PolarHBondContact O-N 2.8Å; M209-E212 PolarHBondContact O-N 3.32Å; M209-L213 HydrophobicContact CG-CD1 4.04Å; M209-L213 WeakPolarHBondContact O-CB 3.28Å; M209-L213 WeakPolarHBondContact O-CG 3.48Å; M209-L213 PolarHBondContact O-N 2.8Å; M209-L213 HydrophobicContact SD-CD1 4.45Å; M209-L491 HydrophobicContact CB-CD1 4.05Å; M209-L491 HydrophobicContact CE-CB 4.06Å; M209-L491 HydrophobicContact CE-CD1 4.18Å; M209-L491 HydrophobicContact SD-CB 4.43Å; M209-I492 HydrophobicContact SD-CD1 3.49Å; M209-I492 WeakPolarHBondContact SD-CD1 3.38Å; M209-I492 HydrophobicContact SD-CG1 3.77Å
210	K	95.5	Very high	94.1	Very high	134 Å²	134	56.3 Å²	56.3	58%	0.583	30%	0.296	S	S	*	.	H	α-helix	trans	-61.4	-48.3	175.4	-176	-178.3	176.6	-173.1	0	112	A206 R207 Q208 E212 L213 D214	A206-K210 PolarHBondContact O-N 3.33Å; R207-K210 PolarHBondContact O-N 3.44Å; Q208-K210 VanDerWaalsContact C-N 3.29Å; Q208-K210 PolarHBondContact O-N 2.92Å; K210-E212 VanDerWaalsContact C-N 3.26Å; K210-E212 PolarHBondContact O-N 3.31Å; K210-L213 PolarHBondContact O-N 3.36Å; K210-D214 WeakPolarHBondContact O-CB 3.31Å; K210-D214 VanDerWaalsContact O-CG 3.26Å; K210-D214 PolarHBondContact O-N 3.03Å
211	I	95.1	Very high	93.9	Very high	26 Å²	26	51.6 Å²	51.6	13%	0.133	28%	0.278	C	S	.	.	H	α-helix	trans	-53.5	-44.8	177.5	-77	165.2	0	0	0	111.3	R207 Q208 G215 V217 P470 V476	R207-I211 HydrophobicContact CG-CD1 4.4Å; R207-I211 WeakPolarHBondContact O-CG1 3.41Å; R207-I211 PolarHBondContact O-N 3.45Å; R207-I211 VanDerWaalsContact O-N 3.07Å; Q208-I211 WeakPolarHBondContact O-CB 3.44Å; Q208-I211 PolarHBondContact O-N 3.41Å; I211-G215 PolarHBondContact O-N 2.98Å; I211-G215 VanDerWaalsContact O-N 3.15Å; I211-V217 HydrophobicContact CB-CG2 4.47Å; I211-V217 HydrophobicContact CG1-CG2 4.42Å; I211-V217 HydrophobicContact CG2-CG2 3.4Å; I211-V217 VanDerWaalsContact CG2-CG2 3.4Å; I211-P470 HydrophobicContact CG2-CB 3.94Å; I211-P470 HydrophobicContact CG2-CG 4.16Å; I211-P470 WeakPolarHBondContact O-CG 3.16Å; I211-V476 HydrophobicContact CD1-CG2 4.28Å
212	E	93.6	Very high	93.8	Very high	10 Å²	10	51.8 Å²	51.8	5%	0.047	28%	0.279	C	S	.	.	H	α-helix	trans	-74.6	-34.2	-178.3	-66.1	-172.8	-138.1	0	0	113.5	Q208 M209 K210 G215 P470 Y490 L491 I492 S493	Q208-E212 PolarHBondContact NE2-OE1 2.85Å; Q208-E212 PolarHBondContact O-N 3.43Å; M209-E212 PolarHBondContact O-N 3.32Å; K210-E212 VanDerWaalsContact C-N 3.26Å; K210-E212 PolarHBondContact O-N 3.31Å; E212-G215 PolarHBondContact O-N 2.8Å; E212-P470 HydrophobicContact CG-CB 4.14Å; E212-Y490 WeakPolarHBondContact OE2-CB 3.39Å; E212-L491 PolarHBondContact OE1-N 3.47Å; E212-L491 PolarHBondContact OE2-N 3.44Å; E212-I492 HydrophobicContact CB-CB 4.08Å; E212-I492 HydrophobicContact CB-CD1 4.24Å; E212-I492 HydrophobicContact CB-CG1 4.42Å; E212-I492 WeakPolarHBondContact OE2-CA 3.28Å; E212-I492 WeakPolarHBondContact OE2-CB 3.19Å; E212-I492 PolarHBondContact OE2-N 2.95Å; E212-S493 PolarHBondContact OE2-N 3.37Å; E212-S493 PolarHBondContact OE2-OG 3.01Å
213	L	90.3	Very high	93.3	Very high	82 Å²	82	50.1 Å²	50.1	43%	0.429	27%	0.265	S	S	.	.	H	α-helix	trans	-67.3	-40.6	173.4	-75.7	170.2	0	0	0	112.3	M209 K210 G215 I492	M209-L213 HydrophobicContact CG-CD1 4.04Å; M209-L213 WeakPolarHBondContact O-CB 3.28Å; M209-L213 WeakPolarHBondContact O-CG 3.48Å; M209-L213 PolarHBondContact O-N 2.8Å; M209-L213 HydrophobicContact SD-CD1 4.45Å; K210-L213 PolarHBondContact O-N 3.36Å; L213-G215 PolarHBondContact O-N 3.24Å; L213-I492 HydrophobicContact CB-CD1 4.45Å; L213-I492 HydrophobicContact CD1-CD1 4.41Å; L213-I492 HydrophobicContact CD2-CD1 3.34Å; L213-I492 HydrophobicContact CG-CD1 3.42Å; L213-I492 VanDerWaalsContact CG-CD1 3.42Å
214	D	88.4	Confident	92.2	Very high	84 Å²	84	50 Å²	50	45%	0.449	26%	0.257	S	S	.	.	H	α-helix	trans	-65.9	-28.8	176.5	-71.3	-12.4	0	0	0	110.8	K210 F216	K210-D214 WeakPolarHBondContact O-CB 3.31Å; K210-D214 VanDerWaalsContact O-CG 3.26Å; K210-D214 PolarHBondContact O-N 3.03Å; D214-F216 WeakPolarHBondContact O-CD1 3.27Å; D214-F216 PolarHBondContact O-N 3.14Å
215	G	85.6	Confident	90.4	Very high	32 Å²	32	52.3 Å²	52.3	33%	0.33	27%	0.266	S	S	.	.			trans	79.3	-0.3	173.1	0	0	0	0	0	114.8	I211 E212 L213 P470	I211-G215 PolarHBondContact O-N 2.98Å; I211-G215 VanDerWaalsContact O-N 3.15Å; E212-G215 PolarHBondContact O-N 2.8Å; L213-G215 PolarHBondContact O-N 3.24Å; G215-P470 VanDerWaalsContact C-CD 3.48Å; G215-P470 WeakPolarHBondContact O-CD 3.11Å
216	F	87.1	Confident	88.4	Confident	79 Å²	79	53.6 Å²	53.6	35%	0.346	28%	0.276	S	S	.	.			trans	-150.7	157.6	172.6	67.2	-88.2	0	0	0	111.9	D214 K218 F468	D214-F216 WeakPolarHBondContact O-CD1 3.27Å; D214-F216 PolarHBondContact O-N 3.14Å; F216-K218 HydrophobicContact CE2-CB 4.42Å; F216-F468 CarbonylContact C-O 3.52Å; F216-F468 WeakPolarHBondContact CA-O 3.24Å
217	V	92.8	Very high	86.2	Confident	8 Å²	8	54.4 Å²	54.4	5%	0.048	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	121.4	173.1	-175	0	0	0	0	108.9	I211 V219 N467 F468 V473	I211-V217 HydrophobicContact CB-CG2 4.47Å; I211-V217 HydrophobicContact CG1-CG2 4.42Å; I211-V217 HydrophobicContact CG2-CG2 3.4Å; I211-V217 VanDerWaalsContact CG2-CG2 3.4Å; V217-V219 HydrophobicContact CG1-CG2 4.05Å; V217-V219 PolarHBondContact O-N 3.21Å; V217-N467 WeakPolarHBondContact O-CA 3.33Å; V217-F468 PolarHBondContact N-O 3.04Å; V217-F468 PolarHBondContact O-N 3.29Å; V217-V473 HydrophobicContact CB-CG2 4.25Å; V217-V473 HydrophobicContact CG2-CG2 3.81Å
218	K	92.4	Very high	83.8	Confident	120 Å²	120	53.4 Å²	53.4	52%	0.522	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	104.3	178.7	-172.7	174.9	-178.1	179.3	0	110	F216 H465	F216-K218 HydrophobicContact CE2-CB 4.42Å; K218-H465 HydrophobicContact CD-CB 4.38Å; K218-H465 HydrophobicContact CG-CB 3.82Å
219	V	94.8	Very high	81.3	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	132.9	-178.4	169.1	0	0	0	0	110	V217 S221 H465 I466 F468 S611 H615	V217-V219 HydrophobicContact CG1-CG2 4.05Å; V217-V219 PolarHBondContact O-N 3.21Å; V219-S221 PolarHBondContact O-N 2.99Å; V219-H465 CarbonylContact O-C 3.6Å; V219-H465 WeakPolarHBondContact O-CA 3.43Å; V219-H465 WeakPolarHBondContact O-CB 3.26Å; V219-I466 PolarHBondContact N-O 3.41Å; V219-I466 PolarHBondContact O-N 3.16Å; V219-F468 HydrophobicContact CB-CD2 3.87Å; V219-F468 HydrophobicContact CB-CE2 3.75Å; V219-F468 HydrophobicContact CG1-CE2 4.11Å; V219-F468 HydrophobicContact CG2-CD2 3.61Å; V219-F468 HydrophobicContact CG2-CE2 3.9Å; V219-S611 WeakPolarHBondContact CG1-O 3.35Å; V219-H615 HydrophobicContact CG1-CB 4.07Å; V219-H615 HydrophobicContact CG2-CB 4.28Å
220	K	93.7	Very high	78.9	Confident	138 Å²	138	67.1 Å²	67.1	60%	0.6	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	126.7	173.6	-173.4	178.4	178.4	-178.3	0	109.7
221	S	91.9	Very high	76.6	Confident	23 Å²	23	64.3 Å²	64.3	16%	0.161	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-64.7	136	176.7	178.6	0	0	0	0	110.8	V219 A223 T464	V219-S221 PolarHBondContact O-N 2.99Å; S221-A223 PolarHBondContact OG-N 3.06Å; S221-T464 PolarHBondContact N-O 3.12Å
222	V	93.4	Very high	74.4	Confident	5 Å²	5	67.3 Å²	67.3	3%	0.03	37%	0.366	C	S	.	.			trans	-88.8	-10.2	175.9	-63.5	0	0	0	0	114.2	L224 L546 F549 R550 L607 L610 S611 N614	V222-L224 PolarHBondContact O-N 3.03Å; V222-L546 HydrophobicContact CB-CD2 3.66Å; V222-L546 HydrophobicContact CG1-CD2 3.81Å; V222-L546 HydrophobicContact CG2-CD2 3.77Å; V222-F549 HydrophobicContact CG2-CD1 4.23Å; V222-F549 HydrophobicContact CG2-CE1 4.09Å; V222-R550 PolarHBondContact O-NE 2.81Å; V222-L607 HydrophobicContact CG2-CD1 4.03Å; V222-L610 HydrophobicContact CG2-CB 3.76Å; V222-S611 PolarHBondContact N-OG 2.62Å; V222-N614 HydrophobicContact CG1-CB 3.74Å
223	A	85.4	Confident	72.7	Confident	23 Å²	23	75 Å²	75	19%	0.19	40%	0.399	C	S	.	.	S	Bend	trans	-58.5	136.3	176.5	0	0	0	0	0	110.6	S221 F549 W603 L607	S221-A223 PolarHBondContact OG-N 3.06Å; A223-F549 HydrophobicContact CB-CE1 4.44Å; A223-W603 HydrophobicContact CB-CH2 4.01Å; A223-W603 HydrophobicContact CB-CZ2 3.8Å; A223-L607 HydrophobicContact CB-CD1 3.74Å
224	L	73	Confident	71.7	Confident	78 Å²	78	76.2 Å²	76.2	41%	0.408	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-62.1	141.7	164.5	-69.1	-172.5	0	0	0	109	V222 R550	V222-L224 PolarHBondContact O-N 3.03Å; L224-R550 HydrophobicContact CD1-CB 3.92Å; L224-R550 WeakPolarHBondContact CD1-O 3.22Å; L224-R550 HydrophobicContact CD2-CB 4.2Å; L224-R550 HydrophobicContact CD2-CG 4.07Å; L224-R550 HydrophobicContact CG-CB 3.66Å; L224-R550 HydrophobicContact CG-CG 3.84Å
225	Q	61.2	Low	70.9	Confident	63 Å²	63	81.1 Å²	81.1	29%	0.294	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-66.6	137	167.1	-64.2	176.7	-9.5	0	0	107.1	H227 T228	Q225-H227 PolarHBondContact O-N 2.93Å; Q225-T228 HydrophobicContact CB-CG2 4.22Å; Q225-T228 PolarHBondContact O-N 3.3Å; Q225-T228 PolarHBondContact O-OG1 3.17Å
226	P	55.5	Low	70.4	Confident	41 Å²	41	82.5 Å²	82.5	27%	0.266	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-4.4	-178.4	16.1	-27.6	0	0	0	115
227	H	50.2	Low	70	Confident	76 Å²	76	83.2 Å²	83.2	35%	0.352	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126	12	-171.2	-54.9	-55.8	0	0	0	115.1	Q225 F232	Q225-H227 PolarHBondContact O-N 2.93Å; H227-F232 HydrophobicContact CB-CD2 4.33Å; H227-F232 HydrophobicContact CB-CE2 4.32Å; H227-F232 AromaticContact ND1-CE1 3.71Å; H227-F232 AromaticContact ND1-CE2 3.79Å; H227-F232 AromaticContact ND1-CZ 3.31Å; H227-F232 VanDerWaalsContact ND1-CZ 3.31Å; H227-F232 WeakPolarHBondContact ND1-CZ 3.5Å
228	T	46.9	Very low	69.5	Low	85 Å²	85	87 Å²	87	52%	0.521	45%	0.45	S	S	.	.			trans	-90.1	1.7	173.3	47.7	0	0	0	0	114.3	Q225 K230	Q225-T228 HydrophobicContact CB-CG2 4.22Å; Q225-T228 PolarHBondContact O-N 3.3Å; Q225-T228 PolarHBondContact O-OG1 3.17Å; T228-K230 PolarHBondContact O-N 3.11Å
229	S	45.5	Very low	69.1	Low	76 Å²	76	84.8 Å²	84.8	53%	0.531	44%	0.44	S	S	.	.	S	Bend	trans	-64.1	124.4	169.9	52.9	0	0	0	0	109.9	G231	S229-G231 PolarHBondContact O-N 2.9Å
230	K	44	Very low	68.5	Low	226 Å²	226	85.9 Å²	85.9	98%	0.983	44%	0.444	S	S	*	.	S	Bend	trans	-43.2	107.3	178	-66.9	177.4	177.4	177.9	0	110.6	T228	T228-K230 PolarHBondContact O-N 3.11Å
231	G	47.6	Very low	68.1	Low	75 Å²	75	85.6 Å²	85.6	77%	0.773	44%	0.443	S	S	*	.			trans	146.1	4.7	177.4	0	0	0	0	0	118.4	S229	S229-G231 PolarHBondContact O-N 2.9Å
232	F	48.7	Very low	68	Low	90 Å²	90	86.4 Å²	86.4	40%	0.395	45%	0.445	S	S	.	.			trans	-87	137.3	-176.1	-96.1	-87.6	0	0	0	114.9	H227 D236	H227-F232 HydrophobicContact CB-CD2 4.33Å; H227-F232 HydrophobicContact CB-CE2 4.32Å; H227-F232 AromaticContact ND1-CE1 3.71Å; H227-F232 AromaticContact ND1-CE2 3.79Å; H227-F232 AromaticContact ND1-CZ 3.31Å; H227-F232 VanDerWaalsContact ND1-CZ 3.31Å; H227-F232 WeakPolarHBondContact ND1-CZ 3.5Å; F232-D236 HydrophobicContact CD1-CB 3.84Å; F232-D236 WeakPolarHBondContact CD1-OD2 3.26Å; F232-D236 HydrophobicContact CE1-CB 4.28Å; F232-D236 VanDerWaalsContact CE1-OD2 3.29Å; F232-D236 WeakPolarHBondContact CE1-OD2 3.32Å
233	K	57.8	Low	67.9	Low	170 Å²	170	86.4 Å²	86.4	74%	0.739	45%	0.445	S	S	*	.			trans	-72.8	141.1	178.5	-61.8	178.7	-179.6	-179	0	110.6	R235 D236	K233-R235 PolarHBondContact O-N 3.48Å; K233-D236 PolarHBondContact O-N 2.94Å
234	S	69.6	Low	68.1	Low	108 Å²	108	88.1 Å²	88.1	76%	0.755	45%	0.449	S	S	*	.	H	α-helix	trans	-39.8	-35.7	176.6	174.4	0	0	0	0	114.9	D236 N237 F238	S234-D236 PolarHBondContact O-N 2.89Å; S234-N237 PolarHBondContact O-N 3.06Å; S234-F238 PolarHBondContact O-N 2.97Å; S234-F238 VanDerWaalsContact O-N 3.16Å
235	R	73	Confident	68.9	Low	187 Å²	187	88.5 Å²	88.5	71%	0.706	45%	0.451	S	S	*	.	H	α-helix	trans	-63.9	-32.4	-178.5	-175.9	170.4	148	150.8	-3.9	115.4	K233 K239	K233-R235 PolarHBondContact O-N 3.48Å; R235-K239 WeakPolarHBondContact O-CB 3.34Å; R235-K239 PolarHBondContact O-N 3.18Å
236	D	74.3	Confident	70.5	Confident	62 Å²	62	86.1 Å²	86.1	33%	0.332	44%	0.44	S	S	.	.	H	α-helix	trans	-75.9	-35.8	-179.2	-74.2	-39.5	0	0	0	112.2	F232 K233 S234 K239 R240	F232-D236 HydrophobicContact CD1-CB 3.84Å; F232-D236 WeakPolarHBondContact CD1-OD2 3.26Å; F232-D236 HydrophobicContact CE1-CB 4.28Å; F232-D236 VanDerWaalsContact CE1-OD2 3.29Å; F232-D236 WeakPolarHBondContact CE1-OD2 3.32Å; K233-D236 PolarHBondContact O-N 2.94Å; S234-D236 PolarHBondContact O-N 2.89Å; D236-K239 PolarHBondContact O-N 2.86Å; D236-R240 WeakPolarHBondContact O-CB 3.1Å; D236-R240 PolarHBondContact O-N 2.95Å
237	N	77.7	Confident	72.2	Confident	94 Å²	94	84.6 Å²	84.6	50%	0.503	43%	0.43	S	S	.	.	H	α-helix	trans	-64.4	-43.9	170.6	-80.5	-14.6	0	0	0	111.5	S234 R240 K241	S234-N237 PolarHBondContact O-N 3.06Å; N237-R240 PolarHBondContact O-N 3.29Å; N237-K241 WeakPolarHBondContact O-CB 3.34Å; N237-K241 PolarHBondContact O-N 2.92Å
238	F	82.9	Confident	74.2	Confident	87 Å²	87	83.6 Å²	83.6	38%	0.382	43%	0.431	S	S	.	.	H	α-helix	trans	-57.5	-50.8	174.4	175.9	-100	0	0	0	111.5	S234 R240 K241 L242 D422	S234-F238 PolarHBondContact O-N 2.97Å; S234-F238 VanDerWaalsContact O-N 3.16Å; F238-R240 PolarHBondContact O-N 3.42Å; F238-K241 PolarHBondContact O-N 3.38Å; F238-L242 PolarHBondContact O-N 3.39Å; F238-L242 VanDerWaalsContact O-N 3.07Å; F238-D422 HydrophobicContact CE1-CB 3.98Å; F238-D422 HydrophobicContact CZ-CB 3.9Å
239	K	83.9	Confident	76.4	Confident	74 Å²	74	83.5 Å²	83.5	32%	0.322	43%	0.427	S	S	.	.	H	α-helix	trans	-53.6	-53	176	178.4	179.6	175.5	-169.2	0	110.6	R235 D236 K241 L242 Y243 L419	R235-K239 WeakPolarHBondContact O-CB 3.34Å; R235-K239 PolarHBondContact O-N 3.18Å; D236-K239 PolarHBondContact O-N 2.86Å; K239-K241 PolarHBondContact O-N 3.4Å; K239-L242 VanDerWaalsContact O-CB 3.32Å; K239-L242 WeakPolarHBondContact O-CB 3.44Å; K239-L242 PolarHBondContact O-N 3.17Å; K239-L242 VanDerWaalsContact O-N 3.13Å; K239-Y243 HydrophobicContact CD-CE2 4.32Å; K239-Y243 HydrophobicContact CG-CD2 3.83Å; K239-Y243 HydrophobicContact CG-CE2 3.61Å; K239-Y243 VanDerWaalsContact O-CD2 3.23Å; K239-Y243 WeakPolarHBondContact O-CD2 3.3Å; K239-Y243 PolarHBondContact O-N 3.33Å; K239-Y243 VanDerWaalsContact O-N 3.08Å; K239-L419 HydrophobicContact CB-CD2 4.31Å; K239-L419 HydrophobicContact CD-CD2 4.21Å; K239-L419 HydrophobicContact CG-CD2 4.06Å
240	R	81.5	Confident	78.7	Confident	23 Å²	23	80.6 Å²	80.6	9%	0.087	41%	0.406	C	S	.	.	H	α-helix	trans	-57.6	-48	-179.1	179.8	179.5	173.1	-175.8	2.9	112.7	D236 N237 F238 L242 Y243 E244 V461	D236-R240 WeakPolarHBondContact O-CB 3.1Å; D236-R240 PolarHBondContact O-N 2.95Å; N237-R240 PolarHBondContact O-N 3.29Å; F238-R240 PolarHBondContact O-N 3.42Å; R240-L242 PolarHBondContact O-N 3.4Å; R240-Y243 CarbonylContact O-C 3.47Å; R240-Y243 PolarHBondContact O-N 3.2Å; R240-E244 HydrophobicContact CG-CG 4.31Å; R240-E244 IonicContact CZ-OE1 3.24Å; R240-E244 IonicContact NE-OE1 3.07Å; R240-E244 PolarHBondContact NE-OE1 2.91Å; R240-E244 IonicContact NH2-OE1 3.52Å; R240-E244 PolarHBondContact NH2-OE1 2.82Å; R240-E244 WeakPolarHBondContact O-CG 3.49Å; R240-E244 PolarHBondContact O-N 2.81Å; R240-V461 PolarHBondContact NE-O 2.86Å; R240-V461 PolarHBondContact NH2-O 2.95Å; R240-V461 VanDerWaalsContact NH2-O 3.09Å
241	K	86.2	Confident	81	Confident	132 Å²	132	72 Å²	72	57%	0.574	37%	0.369	S	S	*	.	H	α-helix	trans	-57	-37.8	178.1	-169.2	175.8	-176.3	179.4	0	111.5	N237 F238 K239 E244 N245	N237-K241 WeakPolarHBondContact O-CB 3.34Å; N237-K241 PolarHBondContact O-N 2.92Å; F238-K241 PolarHBondContact O-N 3.38Å; K239-K241 PolarHBondContact O-N 3.4Å; K241-E244 PolarHBondContact O-N 3.2Å; K241-N245 WeakPolarHBondContact O-CB 3.39Å; K241-N245 PolarHBondContact O-N 2.93Å; K241-N245 PolarHBondContact O-ND2 2.98Å
242	L	89.5	Confident	83.3	Confident	39 Å²	39	74.8 Å²	74.8	20%	0.204	36%	0.357	C	S	.	.	H	α-helix	trans	-65.3	-43.4	175.4	-164.6	68.5	0	0	0	112.4	F238 K239 R240 F246 L419 L424	F238-L242 PolarHBondContact O-N 3.39Å; F238-L242 VanDerWaalsContact O-N 3.07Å; K239-L242 VanDerWaalsContact O-CB 3.32Å; K239-L242 WeakPolarHBondContact O-CB 3.44Å; K239-L242 PolarHBondContact O-N 3.17Å; K239-L242 VanDerWaalsContact O-N 3.13Å; R240-L242 PolarHBondContact O-N 3.4Å; L242-F246 WeakPolarHBondContact O-CB 3.21Å; L242-F246 PolarHBondContact O-N 3.27Å; L242-L419 HydrophobicContact CD2-CD1 3.51Å; L242-L424 HydrophobicContact CD2-CD1 4.3Å; L242-L424 HydrophobicContact CD2-CD2 4.01Å; L242-L424 HydrophobicContact CD2-CG 3.63Å; L242-L424 HydrophobicContact CG-CD1 3.9Å; L242-L424 HydrophobicContact CG-CD2 4.42Å; L242-L424 HydrophobicContact CG-CG 3.8Å
243	Y	90.9	Very high	85.5	Confident	6 Å²	6	73.6 Å²	73.6	2%	0.024	36%	0.359	C	S	.	.	H	α-helix	trans	-67.6	-35.3	174.4	-79.1	-89.6	0	0	0	112.5	K239 R240 F246 L247 L417 L424 L457 T460	K239-Y243 HydrophobicContact CD-CE2 4.32Å; K239-Y243 HydrophobicContact CG-CD2 3.83Å; K239-Y243 HydrophobicContact CG-CE2 3.61Å; K239-Y243 VanDerWaalsContact O-CD2 3.23Å; K239-Y243 WeakPolarHBondContact O-CD2 3.3Å; K239-Y243 PolarHBondContact O-N 3.33Å; K239-Y243 VanDerWaalsContact O-N 3.08Å; R240-Y243 CarbonylContact O-C 3.47Å; R240-Y243 PolarHBondContact O-N 3.2Å; Y243-F246 PolarHBondContact O-N 2.97Å; Y243-L247 WeakPolarHBondContact O-CB 3.39Å; Y243-L247 PolarHBondContact O-N 3.5Å; Y243-L417 HydrophobicContact CD1-CD2 3.68Å; Y243-L417 HydrophobicContact CD1-CG 4.42Å; Y243-L417 HydrophobicContact CE1-CD2 3.5Å; Y243-L417 HydrophobicContact CE1-CG 3.8Å; Y243-L424 HydrophobicContact CD1-CD2 4.48Å; Y243-L424 HydrophobicContact CD2-CD2 4.32Å; Y243-L424 HydrophobicContact CE1-CD2 4.07Å; Y243-L424 HydrophobicContact CE2-CD2 3.82Å; Y243-L457 HydrophobicContact CD1-CD1 3.67Å; Y243-L457 HydrophobicContact CG-CD1 4.33Å; Y243-T460 HydrophobicContact CD1-CG2 4.41Å; Y243-T460 HydrophobicContact CD2-CG2 3.86Å; Y243-T460 HydrophobicContact CG-CG2 3.85Å
244	E	89.5	Confident	87.4	Confident	58 Å²	58	65.7 Å²	65.7	27%	0.271	33%	0.325	S	S	.	.	H	α-helix	trans	-64.6	-46.3	175.2	-79.7	175.7	179.4	0	0	112.2	R240 K241 F246 L247 S248 V461	R240-E244 HydrophobicContact CG-CG 4.31Å; R240-E244 IonicContact CZ-OE1 3.24Å; R240-E244 IonicContact NE-OE1 3.07Å; R240-E244 PolarHBondContact NE-OE1 2.91Å; R240-E244 IonicContact NH2-OE1 3.52Å; R240-E244 PolarHBondContact NH2-OE1 2.82Å; R240-E244 WeakPolarHBondContact O-CG 3.49Å; R240-E244 PolarHBondContact O-N 2.81Å; K241-E244 PolarHBondContact O-N 3.2Å; E244-F246 VanDerWaalsContact C-N 3.33Å; E244-F246 PolarHBondContact O-N 3.1Å; E244-L247 PolarHBondContact O-N 3.35Å; E244-S248 WeakPolarHBondContact O-CB 3.42Å; E244-S248 PolarHBondContact O-N 3.28Å; E244-S248 PolarHBondContact O-OG 2.96Å; E244-V461 HydrophobicContact CG-CB 4.16Å; E244-V461 HydrophobicContact CG-CG1 3.7Å; E244-V461 HydrophobicContact CG-CG2 3.88Å
245	N	91.5	Very high	88.6	Confident	86 Å²	86	63.7 Å²	63.7	46%	0.46	30%	0.303	S	S	.	.	H	α-helix	trans	-60.2	-46	174.3	-70.9	-13.4	0	0	0	110.6	K241 L247 S248 D249	K241-N245 WeakPolarHBondContact O-CB 3.39Å; K241-N245 PolarHBondContact O-N 2.93Å; K241-N245 PolarHBondContact O-ND2 2.98Å; N245-L247 PolarHBondContact O-N 2.95Å; N245-S248 WeakPolarHBondContact O-CB 3.45Å; N245-S248 PolarHBondContact O-N 2.95Å; N245-D249 PolarHBondContact O-N 3.16Å
246	F	93.6	Very high	89.7	Confident	14 Å²	14	62.8 Å²	62.8	6%	0.061	30%	0.3	C	S	.	.	H	α-helix	trans	-60.9	-45.4	177.2	177	-98.5	0	0	0	112.8	L242 Y243 E244 S248 D249 V250 P414 L417 L424 K426 L457	L242-F246 WeakPolarHBondContact O-CB 3.21Å; L242-F246 PolarHBondContact O-N 3.27Å; Y243-F246 PolarHBondContact O-N 2.97Å; E244-F246 VanDerWaalsContact C-N 3.33Å; E244-F246 PolarHBondContact O-N 3.1Å; F246-S248 VanDerWaalsContact C-N 3.3Å; F246-S248 PolarHBondContact O-N 3.05Å; F246-D249 PolarHBondContact O-N 3.34Å; F246-V250 HydrophobicContact CD1-CG2 4.14Å; F246-V250 HydrophobicContact CD2-CG2 4.32Å; F246-V250 HydrophobicContact CE1-CG2 3.58Å; F246-V250 HydrophobicContact CE2-CG2 3.79Å; F246-V250 HydrophobicContact CG-CG2 4.48Å; F246-V250 HydrophobicContact CZ-CG2 3.38Å; F246-V250 WeakPolarHBondContact O-CG2 3.44Å; F246-V250 PolarHBondContact O-N 3.21Å; F246-P414 HydrophobicContact CE2-CG 4.4Å; F246-P414 HydrophobicContact CZ-CG 3.76Å; F246-L417 HydrophobicContact CD1-CD1 4.36Å; F246-L417 HydrophobicContact CD1-CD2 3.57Å; F246-L417 HydrophobicContact CE1-CD1 4.08Å; F246-L417 HydrophobicContact CE1-CD2 3.54Å; F246-L417 HydrophobicContact CE1-CG 4.46Å; F246-L417 HydrophobicContact CE2-CD1 4.35Å; F246-L417 HydrophobicContact CG-CD2 4.4Å; F246-L417 HydrophobicContact CZ-CD1 4.08Å; F246-L417 HydrophobicContact CZ-CD2 4.34Å; F246-L424 HydrophobicContact CB-CD1 3.59Å; F246-L424 HydrophobicContact CD2-CD1 4.25Å; F246-L424 HydrophobicContact CG-CD1 3.91Å; F246-K426 HydrophobicContact CE2-CD 3.93Å; F246-K426 HydrophobicContact CE2-CG 4.38Å; F246-L457 HydrophobicContact CD1-CD1 4.09Å; F246-L457 HydrophobicContact CD1-CD2 4Å; F246-L457 HydrophobicContact CE1-CD2 4.01Å
247	L	91.6	Very high	90.8	Very high	9 Å²	9	62 Å²	62	5%	0.047	29%	0.294	C	S	.	.	H	α-helix	trans	-59.9	-43.7	176.4	177.8	62.4	0	0	0	110.9	Y243 E244 N245 D249 V250 Q251 L457 M458 V461	Y243-L247 WeakPolarHBondContact O-CB 3.39Å; Y243-L247 PolarHBondContact O-N 3.5Å; E244-L247 PolarHBondContact O-N 3.35Å; N245-L247 PolarHBondContact O-N 2.95Å; L247-D249 VanDerWaalsContact C-N 3.33Å; L247-D249 PolarHBondContact O-N 3.43Å; L247-V250 PolarHBondContact O-N 3.37Å; L247-Q251 HydrophobicContact CD1-CG 4.17Å; L247-Q251 HydrophobicContact CG-CG 4.43Å; L247-Q251 VanDerWaalsContact O-CB 3.31Å; L247-Q251 WeakPolarHBondContact O-CB 3.09Å; L247-Q251 WeakPolarHBondContact O-CG 3.37Å; L247-Q251 PolarHBondContact O-N 3.09Å; L247-L457 HydrophobicContact CB-CD1 4.2Å; L247-L457 HydrophobicContact CB-CD2 4.11Å; L247-L457 HydrophobicContact CB-CG 4.24Å; L247-L457 HydrophobicContact CD1-CD2 3.65Å; L247-L457 HydrophobicContact CD1-CG 4.13Å; L247-L457 HydrophobicContact CG-CD2 4.43Å; L247-M458 HydrophobicContact CD1-SD 4.16Å; L247-M458 HydrophobicContact CD2-SD 3.92Å; L247-V461 HydrophobicContact CB-CG2 4.21Å; L247-V461 HydrophobicContact CD2-CB 4.09Å; L247-V461 HydrophobicContact CD2-CG1 3.87Å; L247-V461 HydrophobicContact CD2-CG2 3.92Å
248	S	91.6	Very high	91.8	Very high	55 Å²	55	57.5 Å²	57.5	39%	0.385	27%	0.27	S	S	.	.	H	α-helix	trans	-61.4	-41.2	178.4	-57.6	0	0	0	0	111.8	E244 N245 F246 R252	E244-S248 WeakPolarHBondContact O-CB 3.42Å; E244-S248 PolarHBondContact O-N 3.28Å; E244-S248 PolarHBondContact O-OG 2.96Å; N245-S248 WeakPolarHBondContact O-CB 3.45Å; N245-S248 PolarHBondContact O-N 2.95Å; F246-S248 VanDerWaalsContact C-N 3.3Å; F246-S248 PolarHBondContact O-N 3.05Å; S248-R252 WeakPolarHBondContact O-CB 3.49Å; S248-R252 PolarHBondContact O-N 2.78Å
249	D	93.8	Very high	92.4	Very high	82 Å²	82	56.6 Å²	56.6	44%	0.439	27%	0.267	S	S	.	.	H	α-helix	trans	-68	-42.2	176.7	-71.4	-24.2	0	0	0	112.5	N245 F246 L247 R252 C253	N245-D249 PolarHBondContact O-N 3.16Å; F246-D249 PolarHBondContact O-N 3.34Å; L247-D249 VanDerWaalsContact C-N 3.33Å; L247-D249 PolarHBondContact O-N 3.43Å; D249-R252 PolarHBondContact O-N 3.07Å; D249-R252 IonicContact OD1-CZ 3.98Å; D249-R252 IonicContact OD1-NH1 2.67Å; D249-R252 PolarHBondContact OD1-NH1 3.44Å; D249-R252 IonicContact OD1-NH2 3.17Å; D249-C253 WeakPolarHBondContact O-CB 3.26Å; D249-C253 PolarHBondContact O-N 2.68Å
250	V	93.9	Very high	93.1	Very high	15 Å²	15	60.1 Å²	60.1	9%	0.091	28%	0.278	C	S	.	.	H	α-helix	trans	-62	-46.1	175.2	168.2	0	0	0	0	110.8	F246 L247 R252 C253 W254	F246-V250 HydrophobicContact CD1-CG2 4.14Å; F246-V250 HydrophobicContact CD2-CG2 4.32Å; F246-V250 HydrophobicContact CE1-CG2 3.58Å; F246-V250 HydrophobicContact CE2-CG2 3.79Å; F246-V250 HydrophobicContact CG-CG2 4.48Å; F246-V250 HydrophobicContact CZ-CG2 3.38Å; F246-V250 WeakPolarHBondContact O-CG2 3.44Å; F246-V250 PolarHBondContact O-N 3.21Å; L247-V250 PolarHBondContact O-N 3.37Å; V250-R252 PolarHBondContact O-N 2.92Å; V250-C253 WeakPolarHBondContact O-CA 3.37Å; V250-C253 VanDerWaalsContact O-CB 3.31Å; V250-C253 WeakPolarHBondContact O-CB 3.45Å; V250-C253 PolarHBondContact O-N 3.04Å; V250-C253 VanDerWaalsContact O-N 3.12Å; V250-W254 HydrophobicContact CG1-CD2 3.86Å; V250-W254 HydrophobicContact CG1-CE3 4.41Å; V250-W254 HydrophobicContact CG1-CG 4.41Å; V250-W254 HydrophobicContact CG1-CH2 4.01Å; V250-W254 HydrophobicContact CG1-CZ2 3.36Å; V250-W254 HydrophobicContact CG1-CZ3 4.48Å; V250-W254 PolarHBondContact O-N 3.34Å
251	Q	92.9	Very high	93.8	Very high	45 Å²	45	60.5 Å²	60.5	21%	0.21	28%	0.282	C	S	.	.	H	α-helix	trans	-60	-44.2	176.8	-82.4	179.4	-27.9	0	0	112.3	L247 C253 W254 H255 Y298	L247-Q251 HydrophobicContact CD1-CG 4.17Å; L247-Q251 HydrophobicContact CG-CG 4.43Å; L247-Q251 VanDerWaalsContact O-CB 3.31Å; L247-Q251 WeakPolarHBondContact O-CB 3.09Å; L247-Q251 WeakPolarHBondContact O-CG 3.37Å; L247-Q251 PolarHBondContact O-N 3.09Å; Q251-C253 VanDerWaalsContact C-N 3.29Å; Q251-C253 PolarHBondContact O-N 3.14Å; Q251-W254 HydrophobicContact CG-CE3 4.41Å; Q251-W254 PolarHBondContact O-N 2.92Å; Q251-H255 PolarHBondContact O-N 3.43Å; Q251-Y298 HydrophobicContact CB-CE2 4.2Å; Q251-Y298 WeakPolarHBondContact CB-OH 3.46Å; Q251-Y298 HydrophobicContact CG-CE2 4.46Å; Q251-Y298 WeakPolarHBondContact O-CE2 3.18Å
252	R	94.7	Very high	94.3	Very high	134 Å²	134	54.3 Å²	54.3	51%	0.506	26%	0.255	S	S	.	.	H	α-helix	trans	-63.1	-36	174.5	-163.5	-172.8	-54.7	116.1	5.2	111.9	S248 D249 V250 R256	S248-R252 WeakPolarHBondContact O-CB 3.49Å; S248-R252 PolarHBondContact O-N 2.78Å; D249-R252 PolarHBondContact O-N 3.07Å; D249-R252 IonicContact OD1-CZ 3.98Å; D249-R252 IonicContact OD1-NH1 2.67Å; D249-R252 PolarHBondContact OD1-NH1 3.44Å; D249-R252 IonicContact OD1-NH2 3.17Å; V250-R252 PolarHBondContact O-N 2.92Å; R252-R256 WeakPolarHBondContact O-CG 3.09Å; R252-R256 PolarHBondContact O-N 3.08Å
253	C	96	Very high	94.6	Very high	66 Å²	66	56.5 Å²	56.5	45%	0.446	27%	0.266	S	S	.	.	H	α-helix	trans	-65.7	-48.8	174.3	-169.1	0	0	0	0	111.4	D249 V250 Q251 H255 R256 Q257	D249-C253 WeakPolarHBondContact O-CB 3.26Å; D249-C253 PolarHBondContact O-N 2.68Å; V250-C253 WeakPolarHBondContact O-CA 3.37Å; V250-C253 VanDerWaalsContact O-CB 3.31Å; V250-C253 WeakPolarHBondContact O-CB 3.45Å; V250-C253 PolarHBondContact O-N 3.04Å; V250-C253 VanDerWaalsContact O-N 3.12Å; Q251-C253 VanDerWaalsContact C-N 3.29Å; Q251-C253 PolarHBondContact O-N 3.14Å; C253-H255 VanDerWaalsContact C-N 3.35Å; C253-H255 PolarHBondContact O-N 3.42Å; C253-R256 PolarHBondContact O-N 3.04Å; C253-Q257 WeakPolarHBondContact O-CB 3.46Å; C253-Q257 PolarHBondContact O-N 3.02Å
254	W	97.1	Very high	94.8	Very high	4 Å²	4	61.6 Å²	61.6	2%	0.015	29%	0.292	C	S	.	.	H	α-helix	trans	-56.5	-47.5	177.2	-68.2	-11	0	0	0	111.9	V250 Q251 R256 Q257 L258 V301 T411 L412 I413 A432 L454	V250-W254 HydrophobicContact CG1-CD2 3.86Å; V250-W254 HydrophobicContact CG1-CE3 4.41Å; V250-W254 HydrophobicContact CG1-CG 4.41Å; V250-W254 HydrophobicContact CG1-CH2 4.01Å; V250-W254 HydrophobicContact CG1-CZ2 3.36Å; V250-W254 HydrophobicContact CG1-CZ3 4.48Å; V250-W254 PolarHBondContact O-N 3.34Å; Q251-W254 HydrophobicContact CG-CE3 4.41Å; Q251-W254 PolarHBondContact O-N 2.92Å; W254-R256 PolarHBondContact O-N 3.15Å; W254-Q257 PolarHBondContact O-N 3.21Å; W254-L258 WeakPolarHBondContact O-CB 3.31Å; W254-L258 VanDerWaalsContact O-CG 3.24Å; W254-L258 WeakPolarHBondContact O-CG 3.48Å; W254-L258 PolarHBondContact O-N 3.22Å; W254-V301 HydrophobicContact CE3-CG1 3.57Å; W254-V301 HydrophobicContact CZ3-CG1 3.74Å; W254-T411 HydrophobicContact CB-CG2 4.27Å; W254-T411 HydrophobicContact CD2-CG2 4.03Å; W254-T411 HydrophobicContact CE3-CG2 4.4Å; W254-T411 HydrophobicContact CG-CG2 3.98Å; W254-L412 VanDerWaalsContact NE1-N 3.19Å; W254-L412 PolarHBondContact NE1-O 2.89Å; W254-I413 HydrophobicContact CZ2-CB 4.48Å; W254-A432 HydrophobicContact CH2-CB 3.96Å; W254-A432 HydrophobicContact CZ2-CB 3.55Å; W254-L454 HydrophobicContact CH2-CD1 4Å; W254-L454 HydrophobicContact CH2-CD2 4.24Å
255	H	95.1	Very high	94.9	Very high	65 Å²	65	59.7 Å²	59.7	30%	0.301	28%	0.283	S	S	.	.	H	α-helix	trans	-60	-44.6	179.9	-168	-165.6	0	0	0	112.1	Q251 C253 H259 D295 Y298	Q251-H255 PolarHBondContact O-N 3.43Å; C253-H255 VanDerWaalsContact C-N 3.35Å; C253-H255 PolarHBondContact O-N 3.42Å; H255-H259 PolarHBondContact O-N 3.15Å; H255-D295 IonicContact CD2-OD1 3.75Å; H255-D295 IonicContact CE1-OD1 3.3Å; H255-D295 PolarHBondContact CE1-OD1 3.31Å; H255-D295 VanDerWaalsContact CE1-OD1 3.31Å; H255-D295 IonicContact NE2-OD1 3.86Å; H255-D295 PolarHBondContact NE2-OD1 3.42Å; H255-Y298 HydrophobicContact CB-CD2 3.83Å; H255-Y298 HydrophobicContact CB-CE2 4.18Å; H255-Y298 HydrophobicContact CB-CG 4.16Å
256	R	96.6	Very high	95	Very high	169 Å²	169	56.7 Å²	56.7	64%	0.638	27%	0.266	S	S	*	.	H	α-helix	trans	-63.2	-43.3	175.1	-72.3	-172.8	-66.6	-176.7	2.3	112.6	R252 C253 W254 H259 R260	R252-R256 WeakPolarHBondContact O-CG 3.09Å; R252-R256 PolarHBondContact O-N 3.08Å; C253-R256 PolarHBondContact O-N 3.04Å; W254-R256 PolarHBondContact O-N 3.15Å; R256-H259 PolarHBondContact O-N 3.44Å; R256-R260 PolarHBondContact O-N 2.95Å
257	Q	96.8	Very high	94.8	Very high	45 Å²	45	60.2 Å²	60.2	21%	0.21	29%	0.285	C	S	.	.	H	α-helix	trans	-69.6	-39.1	-178.6	-175.8	54.7	49.2	0	0	111.9	C253 W254 R260 N261	C253-Q257 WeakPolarHBondContact O-CB 3.46Å; C253-Q257 PolarHBondContact O-N 3.02Å; W254-Q257 PolarHBondContact O-N 3.21Å; Q257-R260 PolarHBondContact O-N 3.44Å; Q257-R260 VanDerWaalsContact OE1-NE 3.11Å; Q257-N261 PolarHBondContact NE2-ND2 2.7Å; Q257-N261 PolarHBondContact NE2-OD1 3.04Å; Q257-N261 WeakPolarHBondContact O-CB 3.47Å; Q257-N261 PolarHBondContact O-N 3.18Å
258	L	97.5	Very high	94.7	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-58.8	-48.6	172.1	-76.5	166.9	0	0	0	110.7	W254 R260 N261 V262 L297 Y298 V301 I407	W254-L258 WeakPolarHBondContact O-CB 3.31Å; W254-L258 VanDerWaalsContact O-CG 3.24Å; W254-L258 WeakPolarHBondContact O-CG 3.48Å; W254-L258 PolarHBondContact O-N 3.22Å; L258-R260 PolarHBondContact O-N 3.28Å; L258-N261 PolarHBondContact O-N 3.15Å; L258-V262 WeakPolarHBondContact O-CB 3.34Å; L258-V262 VanDerWaalsContact O-CG2 3.28Å; L258-V262 WeakPolarHBondContact O-CG2 3.32Å; L258-V262 PolarHBondContact O-N 3.46Å; L258-L297 HydrophobicContact CD1-CB 4.25Å; L258-L297 HydrophobicContact CD2-CB 4.04Å; L258-L297 HydrophobicContact CD2-CD1 4.01Å; L258-Y298 HydrophobicContact CD1-CD2 4.42Å; L258-V301 HydrophobicContact CD1-CG2 4.4Å; L258-I407 HydrophobicContact CD2-CG1 4.31Å
259	H	97.2	Very high	94.4	Very high	67 Å²	67	62 Å²	62	31%	0.31	29%	0.286	S	S	.	.	H	α-helix	trans	-58.7	-45.5	177.3	-176.9	-109.6	0	0	0	112.4	H255 R256 V262 L263 S294	H255-H259 PolarHBondContact O-N 3.15Å; R256-H259 PolarHBondContact O-N 3.44Å; H259-V262 PolarHBondContact O-N 3.47Å; H259-L263 WeakPolarHBondContact O-CG 3.48Å; H259-L263 PolarHBondContact O-N 3.44Å; H259-L263 VanDerWaalsContact O-N 3.07Å; H259-S294 PolarHBondContact CD2-OG 2.86Å
260	R	97.3	Very high	94	Very high	148 Å²	148	60.2 Å²	60.2	56%	0.558	28%	0.28	S	S	*	.	H	α-helix	trans	-59.3	-47.9	175.7	-174.1	174.3	75	118.2	-3.4	111.9	R256 Q257 L258 L263 M264	R256-R260 PolarHBondContact O-N 2.95Å; Q257-R260 PolarHBondContact O-N 3.44Å; Q257-R260 VanDerWaalsContact OE1-NE 3.11Å; L258-R260 PolarHBondContact O-N 3.28Å; R260-L263 PolarHBondContact O-N 3.45Å; R260-M264 WeakPolarHBondContact O-CG 3.36Å; R260-M264 PolarHBondContact O-N 3.27Å
261	N	96.3	Very high	93.5	Very high	32 Å²	32	64.8 Å²	64.8	17%	0.171	30%	0.301	C	S	.	.	H	α-helix	trans	-68.8	-34.1	-178.3	-79.3	-7.7	0	0	0	112.6	Q257 L258 M264 E265 L406 S410	Q257-N261 PolarHBondContact NE2-ND2 2.7Å; Q257-N261 PolarHBondContact NE2-OD1 3.04Å; Q257-N261 WeakPolarHBondContact O-CB 3.47Å; Q257-N261 PolarHBondContact O-N 3.18Å; L258-N261 PolarHBondContact O-N 3.15Å; N261-M264 PolarHBondContact O-N 3.21Å; N261-E265 WeakPolarHBondContact O-CB 3.23Å; N261-E265 PolarHBondContact O-N 3.1Å; N261-L406 HydrophobicContact CB-CD2 4.33Å; N261-S410 PolarHBondContact ND2-OG 2.75Å
262	V	96.4	Very high	92.7	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.012	30%	0.304	C	S	.	.	H	α-helix	trans	-62	-46	171.6	166.1	0	0	0	0	111.2	L258 H259 M264 E265 K266 A290 L293 L297 L406	L258-V262 WeakPolarHBondContact O-CB 3.34Å; L258-V262 VanDerWaalsContact O-CG2 3.28Å; L258-V262 WeakPolarHBondContact O-CG2 3.32Å; L258-V262 PolarHBondContact O-N 3.46Å; H259-V262 PolarHBondContact O-N 3.47Å; V262-M264 VanDerWaalsContact C-N 3.34Å; V262-M264 PolarHBondContact O-N 2.95Å; V262-E265 PolarHBondContact O-N 3.22Å; V262-K266 HydrophobicContact CG1-CD 4.3Å; V262-K266 WeakPolarHBondContact O-CB 3.37Å; V262-K266 WeakPolarHBondContact O-CG 3.28Å; V262-K266 PolarHBondContact O-N 2.82Å; V262-A290 HydrophobicContact CG1-CB 3.98Å; V262-L293 HydrophobicContact CG1-CB 4.16Å; V262-L293 HydrophobicContact CG1-CD2 3.75Å; V262-L293 HydrophobicContact CG1-CG 4.1Å; V262-L293 HydrophobicContact CG2-CD2 4.36Å; V262-L293 HydrophobicContact CG2-CG 4.21Å; V262-L297 HydrophobicContact CG2-CD1 3.58Å; V262-L406 HydrophobicContact CG2-CD1 4Å
263	L	96.2	Very high	91.4	Very high	84 Å²	84	58.9 Å²	58.9	44%	0.44	29%	0.285	S	S	.	.	H	α-helix	trans	-59.6	-45.5	176.4	-75.3	169.3	0	0	0	111.6	H259 R260 K266 L267 A290	H259-L263 WeakPolarHBondContact O-CG 3.48Å; H259-L263 PolarHBondContact O-N 3.44Å; H259-L263 VanDerWaalsContact O-N 3.07Å; R260-L263 PolarHBondContact O-N 3.45Å; L263-K266 PolarHBondContact O-N 3.06Å; L263-L267 WeakPolarHBondContact O-CB 3.29Å; L263-L267 PolarHBondContact O-N 3.3Å; L263-A290 HydrophobicContact CD2-CB 3.48Å; L263-A290 VanDerWaalsContact CD2-CB 3.48Å; L263-A290 HydrophobicContact CG-CB 3.99Å
264	M	94.9	Very high	90.2	Very high	113 Å²	113	65.9 Å²	65.9	56%	0.557	30%	0.302	S	S	*	.	H	α-helix	trans	-62.9	-42.9	177.9	-69.3	-60.7	-65.1	0	0	112.2	R260 N261 V262 L267 K268	R260-M264 WeakPolarHBondContact O-CG 3.36Å; R260-M264 PolarHBondContact O-N 3.27Å; N261-M264 PolarHBondContact O-N 3.21Å; V262-M264 VanDerWaalsContact C-N 3.34Å; V262-M264 PolarHBondContact O-N 2.95Å; M264-L267 PolarHBondContact O-N 3.02Å; M264-K268 VanDerWaalsContact O-CB 3.25Å; M264-K268 WeakPolarHBondContact O-CB 3.47Å; M264-K268 PolarHBondContact O-N 3.23Å
265	E	92.6	Very high	88.7	Confident	19 Å²	19	73 Å²	73	9%	0.089	34%	0.34	C	S	.	.	H	α-helix	trans	-68	-41.3	179.5	-168.4	60.3	-150.7	0	0	111.6	N261 V262 L267 K268 L269 Q402 L406	N261-E265 WeakPolarHBondContact O-CB 3.23Å; N261-E265 PolarHBondContact O-N 3.1Å; V262-E265 PolarHBondContact O-N 3.22Å; E265-L267 PolarHBondContact O-N 3.48Å; E265-K268 PolarHBondContact O-N 3.14Å; E265-K268 IonicContact OE1-NZ 2.62Å; E265-K268 PolarHBondContact OE1-NZ 3.36Å; E265-K268 IonicContact OE2-NZ 3.79Å; E265-K268 PolarHBondContact OE2-NZ 2.76Å; E265-L269 HydrophobicContact CG-CD1 4.26Å; E265-L269 WeakPolarHBondContact O-CB 3.27Å; E265-L269 WeakPolarHBondContact O-CG 3.21Å; E265-L269 PolarHBondContact O-N 3.39Å; E265-Q402 HydrophobicContact CG-CG 4.34Å; E265-Q402 PolarHBondContact OE1-NE2 3.12Å; E265-L406 HydrophobicContact CB-CD1 4.31Å; E265-L406 HydrophobicContact CB-CD2 4.09Å; E265-L406 HydrophobicContact CG-CD2 4.34Å
266	K	92.3	Very high	87.3	Confident	22 Å²	22	71.3 Å²	71.3	10%	0.096	33%	0.334	C	S	.	.	H	α-helix	trans	-58.8	-47.5	173.1	-76.3	-173.7	169.1	-163.9	0	111.5	V262 L263 L269 S270 L285 N286 I288 A290	V262-K266 HydrophobicContact CG1-CD 4.3Å; V262-K266 WeakPolarHBondContact O-CB 3.37Å; V262-K266 WeakPolarHBondContact O-CG 3.28Å; V262-K266 PolarHBondContact O-N 2.82Å; L263-K266 PolarHBondContact O-N 3.06Å; K266-L269 PolarHBondContact O-N 2.86Å; K266-S270 PolarHBondContact O-N 2.85Å; K266-S270 PolarHBondContact O-OG 3.39Å; K266-L285 WeakPolarHBondContact CE-O 3.36Å; K266-L285 PolarHBondContact NZ-O 2.96Å; K266-N286 WeakPolarHBondContact CD-OD1 3.44Å; K266-I288 PolarHBondContact NZ-O 2.96Å; K266-A290 HydrophobicContact CD-CB 4.31Å
267	L	91.3	Very high	86	Confident	89 Å²	89	69.4 Å²	69.4	47%	0.466	33%	0.331	S	S	.	.	H	α-helix	trans	-61.8	-47.2	178.4	-179.6	64	0	0	0	111.9	L263 M264 E265 L269 S270 Q271	L263-L267 WeakPolarHBondContact O-CB 3.29Å; L263-L267 PolarHBondContact O-N 3.3Å; M264-L267 PolarHBondContact O-N 3.02Å; E265-L267 PolarHBondContact O-N 3.48Å; L267-L269 VanDerWaalsContact C-N 3.33Å; L267-L269 PolarHBondContact O-N 3.18Å; L267-S270 PolarHBondContact O-N 3.03Å; L267-Q271 HydrophobicContact CD1-CG 4.33Å; L267-Q271 HydrophobicContact CG-CG 4.49Å; L267-Q271 WeakPolarHBondContact O-CB 3.46Å; L267-Q271 WeakPolarHBondContact O-CG 3.26Å; L267-Q271 PolarHBondContact O-N 2.63Å
268	K	88.9	Confident	84.9	Confident	85 Å²	85	68.3 Å²	68.3	37%	0.37	33%	0.325	S	S	.	.	H	α-helix	trans	-57.3	-45.6	177.4	172	-173.1	158	-142.5	0	111.4	M264 E265 Q271 A272	M264-K268 VanDerWaalsContact O-CB 3.25Å; M264-K268 WeakPolarHBondContact O-CB 3.47Å; M264-K268 PolarHBondContact O-N 3.23Å; E265-K268 PolarHBondContact O-N 3.14Å; E265-K268 IonicContact OE1-NZ 2.62Å; E265-K268 PolarHBondContact OE1-NZ 3.36Å; E265-K268 IonicContact OE2-NZ 3.79Å; E265-K268 PolarHBondContact OE2-NZ 2.76Å; K268-Q271 PolarHBondContact O-N 3Å; K268-A272 WeakPolarHBondContact O-CB 3.36Å; K268-A272 PolarHBondContact O-N 3.39Å
269	L	85.9	Confident	84.2	Confident	15 Å²	15	68.3 Å²	68.3	8%	0.079	33%	0.325	C	S	.	.	H	α-helix	trans	-63.3	-50.5	176.5	-72.8	169.9	0	0	0	110.8	E265 K266 L267 Q271 A272 M273 I281 E282 L285	E265-L269 HydrophobicContact CG-CD1 4.26Å; E265-L269 WeakPolarHBondContact O-CB 3.27Å; E265-L269 WeakPolarHBondContact O-CG 3.21Å; E265-L269 PolarHBondContact O-N 3.39Å; K266-L269 PolarHBondContact O-N 2.86Å; L267-L269 VanDerWaalsContact C-N 3.33Å; L267-L269 PolarHBondContact O-N 3.18Å; L269-Q271 VanDerWaalsContact C-N 3.27Å; L269-Q271 PolarHBondContact O-N 2.82Å; L269-A272 PolarHBondContact O-N 3.35Å; L269-M273 HydrophobicContact CD2-CE 4.13Å; L269-M273 WeakPolarHBondContact O-CB 3.48Å; L269-M273 WeakPolarHBondContact O-CG 3.29Å; L269-M273 PolarHBondContact O-N 3.27Å; L269-I281 HydrophobicContact CD1-CD1 4.37Å; L269-I281 HydrophobicContact CD1-CG1 4.03Å; L269-I281 HydrophobicContact CD2-CG1 4.41Å; L269-E282 HydrophobicContact CB-CB 4.06Å; L269-E282 HydrophobicContact CB-CG 4.03Å; L269-L285 HydrophobicContact CD1-CD1 3.63Å
270	S	84.4	Confident	83.6	Confident	45 Å²	45	65.2 Å²	65.2	32%	0.315	31%	0.311	S	S	.	.	H	α-helix	trans	-59.3	-35.2	178.2	-63.5	0	0	0	0	113.5	K266 L267 E282	K266-S270 PolarHBondContact O-N 2.85Å; K266-S270 PolarHBondContact O-OG 3.39Å; L267-S270 PolarHBondContact O-N 3.03Å; S270-E282 WeakPolarHBondContact CA-OE1 3.35Å; S270-E282 WeakPolarHBondContact CB-OE1 3.42Å; S270-E282 PolarHBondContact OG-OE1 3.31Å
271	Q	84.3	Confident	83.2	Confident	112 Å²	112	58.6 Å²	58.6	52%	0.523	29%	0.287	S	S	.	.	H	α-helix	trans	-69.7	-48.3	174.5	-74.4	176.6	-5	0	0	112.2	L267 K268 L269 M273 R274	L267-Q271 HydrophobicContact CD1-CG 4.33Å; L267-Q271 HydrophobicContact CG-CG 4.49Å; L267-Q271 WeakPolarHBondContact O-CB 3.46Å; L267-Q271 WeakPolarHBondContact O-CG 3.26Å; L267-Q271 PolarHBondContact O-N 2.63Å; K268-Q271 PolarHBondContact O-N 3Å; L269-Q271 VanDerWaalsContact C-N 3.27Å; L269-Q271 PolarHBondContact O-N 2.82Å; Q271-M273 PolarHBondContact O-N 3.49Å; Q271-M273 VanDerWaalsContact O-N 3.14Å; Q271-R274 PolarHBondContact O-N 3.11Å
272	A	75	Confident	82.9	Confident	34 Å²	34	57.8 Å²	57.8	28%	0.281	28%	0.282	S	S	.	.	H	α-helix	trans	-58.1	-27.9	176.9	0	0	0	0	0	111.9	K268 L269 V276	K268-A272 WeakPolarHBondContact O-CB 3.36Å; K268-A272 PolarHBondContact O-N 3.39Å; L269-A272 PolarHBondContact O-N 3.35Å; A272-V276 VanDerWaalsContact O-CG2 3.27Å; A272-V276 WeakPolarHBondContact O-CG2 3.38Å
273	M	68.4	Low	82.6	Confident	21 Å²	21	57.7 Å²	57.7	10%	0.103	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-83.7	-10	-176.8	-66.2	-32.9	144.4	0	0	116.4	L269 Q271 N275 V276 N280 E282	L269-M273 HydrophobicContact CD2-CE 4.13Å; L269-M273 WeakPolarHBondContact O-CB 3.48Å; L269-M273 WeakPolarHBondContact O-CG 3.29Å; L269-M273 PolarHBondContact O-N 3.27Å; Q271-M273 PolarHBondContact O-N 3.49Å; Q271-M273 VanDerWaalsContact O-N 3.14Å; M273-N275 PolarHBondContact O-N 2.84Å; M273-N275 VanDerWaalsContact O-N 3.07Å; M273-V276 PolarHBondContact O-N 3.37Å; M273-V276 HydrophobicContact SD-CB 3.83Å; M273-V276 HydrophobicContact SD-CG1 3.72Å; M273-N280 HydrophobicContact CE-CB 3.96Å; M273-N280 WeakPolarHBondContact CE-ND2 3.38Å; M273-N280 WeakPolarHBondContact CE-OD1 3.21Å; M273-N280 PolarHBondContact SD-ND2 3.02Å; M273-E282 VanDerWaalsContact CB-OE2 3.31Å; M273-E282 WeakPolarHBondContact CB-OE2 3.04Å; M273-E282 WeakPolarHBondContact CG-OE2 3.34Å
274	R	69.3	Low	82.4	Confident	213 Å²	213	53.7 Å²	53.7	80%	0.804	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-56.8	-28.4	175.3	-70.4	-175.5	179.3	179.2	-0.8	113	Q271	Q271-R274 PolarHBondContact O-N 3.11Å
275	N	66	Low	82.3	Confident	152 Å²	152	48.4 Å²	48.4	81%	0.813	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-114.5	0.3	-174.9	-64.9	-25.4	0	0	0	114.4	M273	M273-N275 PolarHBondContact O-N 2.84Å; M273-N275 VanDerWaalsContact O-N 3.07Å
276	V	65.9	Low	82.2	Confident	30 Å²	30	49.9 Å²	49.9	18%	0.182	24%	0.243	C	C	.	.			trans	-115.8	126.4	-164.5	165.4	0	0	0	0	112.1	A272 M273 H278 T928	A272-V276 VanDerWaalsContact O-CG2 3.27Å; A272-V276 WeakPolarHBondContact O-CG2 3.38Å; M273-V276 PolarHBondContact O-N 3.37Å; M273-V276 HydrophobicContact SD-CB 3.83Å; M273-V276 HydrophobicContact SD-CG1 3.72Å; V276-H278 WeakPolarHBondContact CG1-CE1 3.47Å; V276-H278 VanDerWaalsContact CG1-ND1 3.27Å; V276-H278 WeakPolarHBondContact CG1-ND1 3.42Å; V276-H278 VanDerWaalsContact CG1-NE2 3.28Å; V276-H278 WeakPolarHBondContact CG1-NE2 3.46Å; V276-T928 HydrophobicContact CG1-CG2 4.46Å; V276-T928 HydrophobicContact CG2-CG2 3.73Å
277	K	68.3	Low	82.2	Confident	130 Å²	130	49.2 Å²	49.2	57%	0.565	24%	0.241	S	C	*	.			trans	-102.9	7.2	-178.5	-59.4	-178.9	-178.3	177	0	114.5	R48	R48-K277 WeakPolarHBondContact CD-O 3.47Å
278	H	74.8	Confident	82.3	Confident	22 Å²	22	45.4 Å²	45.4	10%	0.102	22%	0.221	C	C	.	.	S	Bend	trans	-96.2	159.8	179.5	56.9	-107.2	0	0	0	112.4	V276 N280 D924	V276-H278 WeakPolarHBondContact CG1-CE1 3.47Å; V276-H278 VanDerWaalsContact CG1-ND1 3.27Å; V276-H278 WeakPolarHBondContact CG1-ND1 3.42Å; V276-H278 VanDerWaalsContact CG1-NE2 3.28Å; V276-H278 WeakPolarHBondContact CG1-NE2 3.46Å; H278-N280 PolarHBondContact O-ND2 3.33Å; H278-N280 VanDerWaalsContact O-ND2 3.15Å; H278-D924 HydrophobicContact CB-CB 4Å; H278-D924 PolarHBondContact CD2-O 2.93Å
279	M	83.2	Confident	82.5	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.22	C	C	.	.			trans	-66.9	142.2	177.2	-71.4	172.3	53.6	0	0	110.2	A25 L26 Y29 T45 Y49 F922 Y925	A25-M279 HydrophobicContact CB-CE 4.35Å; A25-M279 WeakPolarHBondContact O-CE 3.31Å; L26-M279 HydrophobicContact CD1-SD 3.81Å; Y29-M279 VanDerWaalsContact CB-CE 3.49Å; Y29-M279 HydrophobicContact CD1-CE 4.44Å; Y29-M279 HydrophobicContact CD1-CG 3.75Å; Y29-M279 HydrophobicContact CD1-SD 4.41Å; Y29-M279 HydrophobicContact CD2-CB 4.19Å; Y29-M279 HydrophobicContact CD2-CE 4.16Å; Y29-M279 HydrophobicContact CD2-CG 4.14Å; Y29-M279 HydrophobicContact CE1-CG 3.88Å; Y29-M279 HydrophobicContact CE2-CB 4.16Å; Y29-M279 HydrophobicContact CE2-CG 4.28Å; Y29-M279 HydrophobicContact CG-CB 4.42Å; Y29-M279 HydrophobicContact CG-CE 3.78Å; Y29-M279 HydrophobicContact CG-CG 3.87Å; Y29-M279 HydrophobicContact CG-SD 4.33Å; T45-M279 HydrophobicContact CG2-CG 3.86Å; T45-M279 HydrophobicContact CG2-SD 4.43Å; Y49-M279 HydrophobicContact CD2-SD 4.42Å; Y49-M279 HydrophobicContact CE2-CG 3.83Å; Y49-M279 HydrophobicContact CE2-SD 3.97Å; M279-F922 HydrophobicContact CE-CD2 4Å; M279-F922 HydrophobicContact CE-CE2 3.88Å; M279-F922 HydrophobicContact SD-CD2 3.79Å; M279-F922 HydrophobicContact SD-CE2 3.63Å; M279-F922 HydrophobicContact SD-CZ 4.37Å; M279-Y925 WeakPolarHBondContact CE-OH 3.48Å
280	N	84.4	Confident	83	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.011	22%	0.223	C	C	.	.			trans	-159.1	-179.7	175.9	57.6	73.1	0	0	0	110.4	Y29 R41 M273 H278 E282 P283 Y925	Y29-N280 WeakPolarHBondContact CE2-O 3.09Å; R41-N280 PolarHBondContact NH2-ND2 3.5Å; R41-N280 PolarHBondContact NH2-OD1 3.22Å; M273-N280 HydrophobicContact CE-CB 3.96Å; M273-N280 WeakPolarHBondContact CE-ND2 3.38Å; M273-N280 WeakPolarHBondContact CE-OD1 3.21Å; M273-N280 PolarHBondContact SD-ND2 3.02Å; H278-N280 PolarHBondContact O-ND2 3.33Å; H278-N280 VanDerWaalsContact O-ND2 3.15Å; N280-E282 VanDerWaalsContact C-N 3.35Å; N280-E282 PolarHBondContact O-N 3.11Å; N280-E282 VanDerWaalsContact OD1-CB 3.29Å; N280-E282 WeakPolarHBondContact OD1-CB 3.44Å; N280-E282 PolarHBondContact OD1-N 2.99Å; N280-E282 VanDerWaalsContact OD1-N 3.09Å; N280-P283 WeakPolarHBondContact O-CD 3.33Å; N280-Y925 VanDerWaalsContact C-CE1 3.48Å; N280-Y925 VanDerWaalsContact CA-CD1 3.46Å; N280-Y925 VanDerWaalsContact CA-CE1 3.47Å
281	I	88.6	Confident	83.5	Confident	9 Å²	9	48.1 Å²	48.1	5%	0.046	24%	0.236	C	C	.	.	S	Bend	trans	-79.9	-7.1	-171.1	60.6	175.9	0	0	0	115.5	L269 F284 L285 E398 I399 Q402 Y925	L269-I281 HydrophobicContact CD1-CD1 4.37Å; L269-I281 HydrophobicContact CD1-CG1 4.03Å; L269-I281 HydrophobicContact CD2-CG1 4.41Å; I281-F284 WeakPolarHBondContact O-CB 3.27Å; I281-F284 PolarHBondContact O-N 2.96Å; I281-F284 VanDerWaalsContact O-N 3.11Å; I281-L285 HydrophobicContact CD1-CD1 4.24Å; I281-L285 HydrophobicContact CG1-CD1 4.48Å; I281-L285 PolarHBondContact O-N 2.98Å; I281-E398 HydrophobicContact CG2-CB 4.07Å; I281-E398 HydrophobicContact CG2-CG 3.62Å; I281-I399 HydrophobicContact CB-CG1 4.22Å; I281-I399 HydrophobicContact CG2-CG1 3.85Å; I281-Q402 HydrophobicContact CD1-CB 3.4Å; I281-Q402 HydrophobicContact CD1-CG 3.5Å; I281-Q402 VanDerWaalsContact CD1-CG 3.5Å; I281-Y925 HydrophobicContact CG2-CD1 3.88Å; I281-Y925 HydrophobicContact CG2-CE1 3.96Å
282	E	89.6	Confident	83.9	Confident	14 Å²	14	44.8 Å²	44.8	7%	0.065	22%	0.22	C	C	.	.	H	α-helix	trans	-54.1	-48.6	-173	-174	-167.1	173.9	0	0	114.1	R41 L269 S270 M273 N280 F284 L285 N286	R41-E282 IonicContact CZ-OE2 3.35Å; R41-E282 IonicContact NH1-OE2 2.71Å; R41-E282 PolarHBondContact NH1-OE2 3.03Å; R41-E282 IonicContact NH2-OE2 3.6Å; L269-E282 HydrophobicContact CB-CB 4.06Å; L269-E282 HydrophobicContact CB-CG 4.03Å; S270-E282 WeakPolarHBondContact CA-OE1 3.35Å; S270-E282 WeakPolarHBondContact CB-OE1 3.42Å; S270-E282 PolarHBondContact OG-OE1 3.31Å; M273-E282 VanDerWaalsContact CB-OE2 3.31Å; M273-E282 WeakPolarHBondContact CB-OE2 3.04Å; M273-E282 WeakPolarHBondContact CG-OE2 3.34Å; N280-E282 VanDerWaalsContact C-N 3.35Å; N280-E282 PolarHBondContact O-N 3.11Å; N280-E282 VanDerWaalsContact OD1-CB 3.29Å; N280-E282 WeakPolarHBondContact OD1-CB 3.44Å; N280-E282 PolarHBondContact OD1-N 2.99Å; N280-E282 VanDerWaalsContact OD1-N 3.09Å; E282-F284 PolarHBondContact O-N 3.37Å; E282-L285 PolarHBondContact O-N 2.99Å; E282-L285 VanDerWaalsContact O-N 3.09Å; E282-N286 WeakPolarHBondContact CG-ND2 3.32Å; E282-N286 WeakPolarHBondContact O-CB 3.44Å; E282-N286 PolarHBondContact O-N 3.49Å; E282-N286 PolarHBondContact OE1-ND2 3.1Å
283	P	90.4	Very high	84.9	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60	-35.5	-178.5	-22.4	35.3	0	0	0	112.2	Y29 T32 C33 C36 M38 N280 N286 C287	Y29-P283 HydrophobicContact CD2-CG 4.4Å; Y29-P283 HydrophobicContact CE2-CG 3.63Å; T32-P283 HydrophobicContact CG2-CB 4.04Å; C33-P283 WeakPolarHBondContact SG-CG 3.33Å; C36-P283 PolarHBondContact SG-O 3.42Å; C36-P283 VanDerWaalsContact SG-O 3.37Å; M38-P283 HydrophobicContact SD-CB 3.96Å; M38-P283 HydrophobicContact SD-CG 3.87Å; N280-P283 WeakPolarHBondContact O-CD 3.33Å; P283-N286 PolarHBondContact O-N 3.49Å; P283-C287 PolarHBondContact O-N 3.02Å
284	F	92.8	Very high	86.3	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-71.9	-29.5	179.1	-52.2	-83.3	0	0	0	112.8	Y29 T32 I281 E282 C287 W391 D395 I399	Y29-F284 AromaticContact CD2-CE2 3.73Å; Y29-F284 HydrophobicContact CD2-CE2 3.73Å; Y29-F284 HydrophobicContact CD2-CZ 4.05Å; Y29-F284 HydrophobicContact CE2-CE2 4.45Å; T32-F284 HydrophobicContact CG2-CD1 3.78Å; T32-F284 HydrophobicContact CG2-CE1 4.29Å; T32-F284 HydrophobicContact CG2-CG 4.25Å; T32-F284 WeakPolarHBondContact OG1-CE1 3.1Å; I281-F284 WeakPolarHBondContact O-CB 3.27Å; I281-F284 PolarHBondContact O-N 2.96Å; I281-F284 VanDerWaalsContact O-N 3.11Å; E282-F284 PolarHBondContact O-N 3.37Å; F284-C287 PolarHBondContact O-SG 3.26Å; F284-W391 HydrophobicContact CB-CH2 3.9Å; F284-W391 HydrophobicContact CB-CZ2 4.15Å; F284-W391 HydrophobicContact CB-CZ3 4.29Å; F284-W391 AromaticContact CD1-CD2 3.71Å; F284-W391 HydrophobicContact CD1-CD2 3.71Å; F284-W391 AromaticContact CD1-CE2 3.45Å; F284-W391 VanDerWaalsContact CD1-CE2 3.45Å; F284-W391 HydrophobicContact CD1-CE3 4.2Å; F284-W391 HydrophobicContact CD1-CG 4.12Å; F284-W391 HydrophobicContact CD1-CH2 4.13Å; F284-W391 AromaticContact CD1-CZ2 3.69Å; F284-W391 HydrophobicContact CD1-CZ2 3.69Å; F284-W391 HydrophobicContact CD1-CZ3 4.39Å; F284-W391 AromaticContact CD1-NE1 3.64Å; F284-W391 AromaticContact CE1-CD1 3.83Å; F284-W391 HydrophobicContact CE1-CD2 4.12Å; F284-W391 HydrophobicContact CE1-CG 4.02Å; F284-W391 AromaticContact CE1-NE1 3.82Å; F284-W391 HydrophobicContact CG-CZ2 4.41Å; F284-D395 HydrophobicContact CE1-CB 4.33Å; F284-D395 HydrophobicContact CE2-CB 4.46Å; F284-D395 HydrophobicContact CZ-CB 3.97Å; F284-I399 HydrophobicContact CB-CD1 3.52Å; F284-I399 HydrophobicContact CB-CG1 4Å; F284-I399 HydrophobicContact CD1-CD1 3.8Å; F284-I399 HydrophobicContact CD2-CD1 3.94Å; F284-I399 HydrophobicContact CD2-CG1 4.32Å; F284-I399 HydrophobicContact CE1-CD1 4.42Å; F284-I399 HydrophobicContact CG-CD1 3.5Å; F284-I399 HydrophobicContact CG-CG1 4.21Å
285	L	92.3	Very high	87.4	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-80.3	-31	174.4	-59.9	-168.4	0	0	0	112.1	K266 L269 I281 E282 C287 L293 L326 I399 L403	K266-L285 WeakPolarHBondContact CE-O 3.36Å; K266-L285 PolarHBondContact NZ-O 2.96Å; L269-L285 HydrophobicContact CD1-CD1 3.63Å; I281-L285 HydrophobicContact CD1-CD1 4.24Å; I281-L285 HydrophobicContact CG1-CD1 4.48Å; I281-L285 PolarHBondContact O-N 2.98Å; E282-L285 PolarHBondContact O-N 2.99Å; E282-L285 VanDerWaalsContact O-N 3.09Å; L285-C287 VanDerWaalsContact C-N 3.32Å; L285-L293 HydrophobicContact CD2-CD2 4.27Å; L285-L326 HydrophobicContact CD2-CD2 4Å; L285-I399 HydrophobicContact CD2-CG2 4.29Å; L285-L403 HydrophobicContact CD2-CD2 3.75Å; L285-L403 HydrophobicContact CD2-CG 4.25Å
286	N	90.7	Very high	88.7	Confident	50 Å²	50	27.5 Å²	27.5	27%	0.267	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	1.4	-178.2	-75.2	-16.5	0	0	0	114	M38 K266 E282 P283 I288	M38-N286 HydrophobicContact CE-CB 3.83Å; K266-N286 WeakPolarHBondContact CD-OD1 3.44Å; E282-N286 WeakPolarHBondContact CG-ND2 3.32Å; E282-N286 WeakPolarHBondContact O-CB 3.44Å; E282-N286 PolarHBondContact O-N 3.49Å; E282-N286 PolarHBondContact OE1-ND2 3.1Å; P283-N286 PolarHBondContact O-N 3.49Å; N286-I288 PolarHBondContact O-N 3.32Å
287	C	91.3	Very high	90.1	Very high	8 Å²	8	26 Å²	26	5%	0.054	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-13.4	176.2	75	0	0	0	0	114	T32 C36 P283 F284 L285 F330	T32-C287 HydrophobicContact CG2-CB 4.47Å; C36-C287 WeakPolarHBondContact SG-CA 3.46Å; C36-C287 VanDerWaalsContact SG-CB 3.56Å; P283-C287 PolarHBondContact O-N 3.02Å; F284-C287 PolarHBondContact O-SG 3.26Å; L285-C287 VanDerWaalsContact C-N 3.32Å; C287-F330 HydrophobicContact CB-CB 4.37Å; C287-F330 HydrophobicContact CB-CD2 3.46Å; C287-F330 VanDerWaalsContact CB-CD2 3.46Å; C287-F330 HydrophobicContact CB-CE2 3.76Å; C287-F330 HydrophobicContact CB-CG 3.88Å; C287-F330 HydrophobicContact CB-CZ 4.41Å
288	I	93	Very high	91.3	Very high	9 Å²	9	22 Å²	22	5%	0.046	11%	0.112	C	C	.	.	S	Bend	trans	-134.1	167.7	172.5	66.1	167.5	0	0	0	110.8	K266 N286 E292 L293 I296 L326 K329 F330	K266-I288 PolarHBondContact NZ-O 2.96Å; N286-I288 PolarHBondContact O-N 3.32Å; I288-E292 HydrophobicContact CD1-CB 4.06Å; I288-L293 HydrophobicContact CD1-CB 3.83Å; I288-L293 HydrophobicContact CD1-CD1 4.34Å; I288-L293 HydrophobicContact CG1-CB 4.2Å; I288-I296 HydrophobicContact CD1-CD1 3.76Å; I288-L326 HydrophobicContact CD1-CD1 3.24Å; I288-L326 HydrophobicContact CG1-CD1 3.57Å; I288-L326 HydrophobicContact CG2-CD1 4.41Å; I288-K329 HydrophobicContact CD1-CG 4.38Å; I288-K329 HydrophobicContact CG2-CB 4.37Å; I288-K329 HydrophobicContact CG2-CG 3.99Å; I288-F330 HydrophobicContact CG2-CB 4.46Å
289	S	94.1	Very high	92.1	Very high	52 Å²	52	23.9 Å²	23.9	36%	0.364	12%	0.121	S	C	.	.			trans	-68.1	159.4	178.3	70.8	0	0	0	0	112.7	K291 E292 L293	S289-K291 VanDerWaalsContact C-N 3.27Å; S289-K291 PolarHBondContact O-N 3.18Å; S289-E292 WeakPolarHBondContact CB-OE2 3.41Å; S289-E292 PolarHBondContact N-OE2 2.97Å; S289-E292 WeakPolarHBondContact OG-CB 3.34Å; S289-E292 VanDerWaalsContact OG-CD 3.29Å; S289-E292 WeakPolarHBondContact OG-CG 3.26Å; S289-E292 PolarHBondContact OG-N 3.45Å; S289-E292 PolarHBondContact OG-OE2 2.62Å; S289-L293 PolarHBondContact O-N 2.85Å; S289-L293 VanDerWaalsContact O-N 3.1Å
290	A	95.3	Very high	92.5	Very high	15 Å²	15	23.9 Å²	23.9	12%	0.124	12%	0.121	C	C	.	.	H	α-helix	trans	-62.8	-35.7	175.3	0	0	0	0	0	112.3	V262 L263 K266 S294	V262-A290 HydrophobicContact CG1-CB 3.98Å; L263-A290 HydrophobicContact CD2-CB 3.48Å; L263-A290 VanDerWaalsContact CD2-CB 3.48Å; L263-A290 HydrophobicContact CG-CB 3.99Å; K266-A290 HydrophobicContact CD-CB 4.31Å; A290-S294 WeakPolarHBondContact O-CB 3.29Å; A290-S294 PolarHBondContact O-N 3.45Å; A290-S294 PolarHBondContact O-OG 2.89Å
291	K	95.3	Very high	92.9	Very high	135 Å²	135	23.8 Å²	23.8	59%	0.587	12%	0.121	S	C	*	.	H	α-helix	trans	-61	-55.3	175.9	-175.5	-178.5	176.4	-173.9	0	111.2	S289 L293 S294 D295	S289-K291 VanDerWaalsContact C-N 3.27Å; S289-K291 PolarHBondContact O-N 3.18Å; K291-L293 VanDerWaalsContact C-N 3.29Å; K291-L293 PolarHBondContact O-N 3.29Å; K291-S294 CarbonylContact O-C 3.55Å; K291-S294 WeakPolarHBondContact O-CA 3.32Å; K291-S294 WeakPolarHBondContact O-CB 3.33Å; K291-S294 PolarHBondContact O-N 3.37Å; K291-S294 PolarHBondContact O-OG 2.65Å; K291-D295 VanDerWaalsContact O-CG 3.25Å; K291-D295 PolarHBondContact O-N 3.43Å
292	E	93.9	Very high	92.9	Very high	42 Å²	42	24.9 Å²	24.9	20%	0.196	13%	0.129	C	C	.	.	H	α-helix	trans	-61.3	-39	-179.8	-68	167.1	119.2	0	0	112.3	I288 S289 S294 D295 I296 K329 H333	I288-E292 HydrophobicContact CD1-CB 4.06Å; S289-E292 WeakPolarHBondContact CB-OE2 3.41Å; S289-E292 PolarHBondContact N-OE2 2.97Å; S289-E292 WeakPolarHBondContact OG-CB 3.34Å; S289-E292 VanDerWaalsContact OG-CD 3.29Å; S289-E292 WeakPolarHBondContact OG-CG 3.26Å; S289-E292 PolarHBondContact OG-N 3.45Å; S289-E292 PolarHBondContact OG-OE2 2.62Å; E292-S294 VanDerWaalsContact C-N 3.33Å; E292-S294 PolarHBondContact O-N 3.43Å; E292-D295 PolarHBondContact O-N 3.16Å; E292-I296 WeakPolarHBondContact O-CG1 3.36Å; E292-I296 PolarHBondContact O-N 3.38Å; E292-K329 WeakPolarHBondContact OE1-CE 3.46Å; E292-K329 IonicContact OE1-NZ 3.74Å; E292-H333 IonicContact OE1-CE1 2.63Å; E292-H333 PolarHBondContact OE1-CE1 3.19Å; E292-H333 IonicContact OE1-NE2 2.92Å; E292-H333 PolarHBondContact OE1-NE2 3.48Å; E292-H333 IonicContact OE2-CE1 3.28Å; E292-H333 IonicContact OE2-NE2 3.14Å
293	L	96.1	Very high	92.7	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-62.2	-43.5	174.7	-178.5	55.8	0	0	0	110.8	V262 L285 I288 S289 K291 D295 I296 L297 L326 L403	V262-L293 HydrophobicContact CG1-CB 4.16Å; V262-L293 HydrophobicContact CG1-CD2 3.75Å; V262-L293 HydrophobicContact CG1-CG 4.1Å; V262-L293 HydrophobicContact CG2-CD2 4.36Å; V262-L293 HydrophobicContact CG2-CG 4.21Å; L285-L293 HydrophobicContact CD2-CD2 4.27Å; I288-L293 HydrophobicContact CD1-CB 3.83Å; I288-L293 HydrophobicContact CD1-CD1 4.34Å; I288-L293 HydrophobicContact CG1-CB 4.2Å; S289-L293 PolarHBondContact O-N 2.85Å; S289-L293 VanDerWaalsContact O-N 3.1Å; K291-L293 VanDerWaalsContact C-N 3.29Å; K291-L293 PolarHBondContact O-N 3.29Å; L293-D295 VanDerWaalsContact C-N 3.3Å; L293-D295 PolarHBondContact O-N 2.93Å; L293-I296 PolarHBondContact O-N 2.92Å; L293-L297 WeakPolarHBondContact O-CG 3.49Å; L293-L297 PolarHBondContact O-N 3.15Å; L293-L326 HydrophobicContact CD1-CD1 4.11Å; L293-L326 HydrophobicContact CD1-CD2 4.37Å; L293-L403 HydrophobicContact CD1-CD1 4.17Å; L293-L403 HydrophobicContact CD1-CD2 3.86Å; L293-L403 HydrophobicContact CD2-CD2 4.05Å; L293-L403 HydrophobicContact CG-CD2 4.31Å
294	S	96.2	Very high	92.7	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.007	14%	0.141	C	C	.	.	H	α-helix	trans	-64.8	-32.6	176.4	73.5	0	0	0	0	113.4	H259 A290 K291 E292 L297 Y298	H259-S294 PolarHBondContact CD2-OG 2.86Å; A290-S294 WeakPolarHBondContact O-CB 3.29Å; A290-S294 PolarHBondContact O-N 3.45Å; A290-S294 PolarHBondContact O-OG 2.89Å; K291-S294 CarbonylContact O-C 3.55Å; K291-S294 WeakPolarHBondContact O-CA 3.32Å; K291-S294 WeakPolarHBondContact O-CB 3.33Å; K291-S294 PolarHBondContact O-N 3.37Å; K291-S294 PolarHBondContact O-OG 2.65Å; E292-S294 VanDerWaalsContact C-N 3.33Å; E292-S294 PolarHBondContact O-N 3.43Å; S294-L297 PolarHBondContact O-N 3.27Å; S294-Y298 WeakPolarHBondContact O-CB 3.48Å; S294-Y298 PolarHBondContact O-N 2.76Å
295	D	93	Very high	92.4	Very high	42 Å²	42	28.2 Å²	28.2	23%	0.225	14%	0.144	C	C	.	.	H	α-helix	trans	-66.6	-46.2	174.5	-62.8	-25.4	0	0	0	110.4	H255 K291 E292 L293 L297 Y298 E299	H255-D295 IonicContact CD2-OD1 3.75Å; H255-D295 IonicContact CE1-OD1 3.3Å; H255-D295 PolarHBondContact CE1-OD1 3.31Å; H255-D295 VanDerWaalsContact CE1-OD1 3.31Å; H255-D295 IonicContact NE2-OD1 3.86Å; H255-D295 PolarHBondContact NE2-OD1 3.42Å; K291-D295 VanDerWaalsContact O-CG 3.25Å; K291-D295 PolarHBondContact O-N 3.43Å; E292-D295 PolarHBondContact O-N 3.16Å; L293-D295 VanDerWaalsContact C-N 3.3Å; L293-D295 PolarHBondContact O-N 2.93Å; D295-L297 VanDerWaalsContact C-N 3.33Å; D295-L297 PolarHBondContact O-N 2.98Å; D295-Y298 PolarHBondContact O-N 2.78Å; D295-Y298 VanDerWaalsContact O-N 3.15Å; D295-E299 WeakPolarHBondContact O-CB 3.27Å; D295-E299 WeakPolarHBondContact O-CG 3.47Å; D295-E299 PolarHBondContact O-N 2.86Å
296	I	93.1	Very high	91.7	Very high	13 Å²	13	31.2 Å²	31.2	7%	0.067	17%	0.165	C	C	.	.	H	α-helix	trans	-56.9	-45.7	174.3	-68.6	169	0	0	0	111	I288 E292 L293 E299 E300 L322 R325 K329	I288-I296 HydrophobicContact CD1-CD1 3.76Å; E292-I296 WeakPolarHBondContact O-CG1 3.36Å; E292-I296 PolarHBondContact O-N 3.38Å; L293-I296 PolarHBondContact O-N 2.92Å; I296-E299 PolarHBondContact O-N 3.28Å; I296-E300 WeakPolarHBondContact O-CB 3.34Å; I296-E300 PolarHBondContact O-N 3.12Å; I296-L322 HydrophobicContact CG2-CD1 3.87Å; I296-R325 HydrophobicContact CG2-CB 4.07Å; I296-R325 PolarHBondContact O-NH1 2.97Å; I296-K329 HydrophobicContact CD1-CB 3.94Å; I296-K329 HydrophobicContact CD1-CG 4.21Å
297	L	96.1	Very high	91	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.5	-42.3	177.4	-63.3	-175.9	0	0	0	111.8	L258 V262 L293 S294 D295 E300 V301 L322 L403 L406 I407	L258-L297 HydrophobicContact CD1-CB 4.25Å; L258-L297 HydrophobicContact CD2-CB 4.04Å; L258-L297 HydrophobicContact CD2-CD1 4.01Å; V262-L297 HydrophobicContact CG2-CD1 3.58Å; L293-L297 WeakPolarHBondContact O-CG 3.49Å; L293-L297 PolarHBondContact O-N 3.15Å; S294-L297 PolarHBondContact O-N 3.27Å; D295-L297 VanDerWaalsContact C-N 3.33Å; D295-L297 PolarHBondContact O-N 2.98Å; L297-E300 WeakPolarHBondContact O-CB 3.35Å; L297-E300 PolarHBondContact O-N 3.41Å; L297-V301 WeakPolarHBondContact O-CG2 3.45Å; L297-V301 PolarHBondContact O-N 3.11Å; L297-L322 HydrophobicContact CD2-CD1 4.14Å; L297-L322 HydrophobicContact CD2-CD2 3.78Å; L297-L322 HydrophobicContact CD2-CG 4.29Å; L297-L403 HydrophobicContact CD2-CB 3.9Å; L297-L403 HydrophobicContact CD2-CD1 4.48Å; L297-L403 HydrophobicContact CD2-CD2 4.25Å; L297-L403 HydrophobicContact CD2-CG 4.43Å; L297-L406 HydrophobicContact CD1-CB 4.22Å; L297-L406 HydrophobicContact CD1-CD1 4.28Å; L297-I407 HydrophobicContact CB-CG1 4.26Å; L297-I407 HydrophobicContact CD2-CD1 4.09Å; L297-I407 HydrophobicContact CD2-CG1 4.17Å
298	Y	94.2	Very high	90.1	Very high	46 Å²	46	31.8 Å²	31.8	18%	0.18	17%	0.17	C	C	.	.	H	α-helix	trans	-68.3	-37.9	180	175.9	-101.4	0	0	0	112.5	Q251 H255 L258 S294 D295 E300 V301 S302	Q251-Y298 HydrophobicContact CB-CE2 4.2Å; Q251-Y298 WeakPolarHBondContact CB-OH 3.46Å; Q251-Y298 HydrophobicContact CG-CE2 4.46Å; Q251-Y298 WeakPolarHBondContact O-CE2 3.18Å; H255-Y298 HydrophobicContact CB-CD2 3.83Å; H255-Y298 HydrophobicContact CB-CE2 4.18Å; H255-Y298 HydrophobicContact CB-CG 4.16Å; L258-Y298 HydrophobicContact CD1-CD2 4.42Å; S294-Y298 WeakPolarHBondContact O-CB 3.48Å; S294-Y298 PolarHBondContact O-N 2.76Å; D295-Y298 PolarHBondContact O-N 2.78Å; D295-Y298 VanDerWaalsContact O-N 3.15Å; Y298-E300 VanDerWaalsContact C-N 3.32Å; Y298-V301 WeakPolarHBondContact O-CB 3.01Å; Y298-V301 PolarHBondContact O-N 3.17Å; Y298-S302 PolarHBondContact O-N 2.87Å; Y298-S302 PolarHBondContact O-OG 3.09Å
299	E	89.9	Confident	89	Confident	60 Å²	60	35.8 Å²	35.8	28%	0.28	19%	0.189	S	C	.	.	H	α-helix	trans	-64.8	-38.8	172.5	-73.2	171	-171.1	0	0	111.5	D295 I296 S302 K303 R325	D295-E299 WeakPolarHBondContact O-CB 3.27Å; D295-E299 WeakPolarHBondContact O-CG 3.47Å; D295-E299 PolarHBondContact O-N 2.86Å; I296-E299 PolarHBondContact O-N 3.28Å; E299-S302 WeakPolarHBondContact O-CB 3.37Å; E299-S302 PolarHBondContact O-N 3.46Å; E299-K303 PolarHBondContact O-N 2.85Å; E299-R325 IonicContact OE2-CZ 3.94Å; E299-R325 IonicContact OE2-NH2 3.13Å; E299-R325 PolarHBondContact OE2-NH2 3.24Å
300	E	92.3	Very high	87.7	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.8	-49.5	172.3	-171.7	67.8	-174.1	0	0	110.5	I296 L297 Y298 S302 K303 L304 R321 L322 R325 I407	I296-E300 WeakPolarHBondContact O-CB 3.34Å; I296-E300 PolarHBondContact O-N 3.12Å; L297-E300 WeakPolarHBondContact O-CB 3.35Å; L297-E300 PolarHBondContact O-N 3.41Å; Y298-E300 VanDerWaalsContact C-N 3.32Å; E300-S302 VanDerWaalsContact C-N 3.27Å; E300-S302 PolarHBondContact O-N 3.49Å; E300-K303 CarbonylContact O-C 3.59Å; E300-K303 WeakPolarHBondContact O-CA 3.47Å; E300-K303 WeakPolarHBondContact O-CB 3.44Å; E300-K303 PolarHBondContact O-N 3.32Å; E300-L304 HydrophobicContact CG-CD1 4.39Å; E300-L304 HydrophobicContact CG-CG 4.5Å; E300-L304 VanDerWaalsContact O-CG 3.27Å; E300-L304 WeakPolarHBondContact O-CG 3.49Å; E300-L304 PolarHBondContact O-N 3.28Å; E300-R321 IonicContact OE1-CZ 3.14Å; E300-R321 IonicContact OE1-NE 3.88Å; E300-R321 PolarHBondContact OE1-NE 3.3Å; E300-R321 IonicContact OE1-NH2 3.78Å; E300-R321 PolarHBondContact OE1-NH2 3.42Å; E300-R321 IonicContact OE2-NE 2.85Å; E300-R321 IonicContact OE2-NH2 2.62Å; E300-L322 HydrophobicContact CB-CD1 3.9Å; E300-L322 HydrophobicContact CG-CD1 3.91Å; E300-R325 IonicContact OE2-NH1 3.65Å; E300-R325 PolarHBondContact OE2-NH1 2.94Å; E300-I407 HydrophobicContact CB-CD1 4.2Å; E300-I407 HydrophobicContact CG-CD1 4.02Å
301	V	93.4	Very high	86.6	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.006	20%	0.203	C	C	.	.	H	α-helix	trans	-54.8	-43.7	174.4	166.7	0	0	0	0	111.7	W254 L258 L297 Y298 K303 L304 C305 I407 T411 F433	W254-V301 HydrophobicContact CE3-CG1 3.57Å; W254-V301 HydrophobicContact CZ3-CG1 3.74Å; L258-V301 HydrophobicContact CD1-CG2 4.4Å; L297-V301 WeakPolarHBondContact O-CG2 3.45Å; L297-V301 PolarHBondContact O-N 3.11Å; Y298-V301 WeakPolarHBondContact O-CB 3.01Å; Y298-V301 PolarHBondContact O-N 3.17Å; V301-K303 VanDerWaalsContact C-N 3.32Å; V301-K303 PolarHBondContact O-N 2.93Å; V301-L304 WeakPolarHBondContact O-CB 3.42Å; V301-L304 PolarHBondContact O-N 2.9Å; V301-L304 VanDerWaalsContact O-N 3.13Å; V301-C305 PolarHBondContact O-N 3.47Å; V301-C305 PolarHBondContact O-SG 3.35Å; V301-I407 HydrophobicContact CG2-CB 4.43Å; V301-I407 HydrophobicContact CG2-CD1 4.38Å; V301-I407 HydrophobicContact CG2-CG1 4.14Å; V301-I407 HydrophobicContact CG2-CG2 3.59Å; V301-T411 HydrophobicContact CB-CG2 4.5Å; V301-T411 HydrophobicContact CG1-CG2 4Å; V301-T411 HydrophobicContact CG2-CG2 3.67Å; V301-F433 HydrophobicContact CG1-CE2 3.92Å; V301-F433 HydrophobicContact CG1-CZ 4Å; V301-F433 HydrophobicContact CG2-CE2 4.28Å
302	S	87.9	Confident	85.7	Confident	31 Å²	31	35.6 Å²	35.6	22%	0.217	18%	0.177	C	C	.	.	H	α-helix	trans	-61.9	-40.1	177.8	-60.7	0	0	0	0	112	Y298 E299 E300 C305	Y298-S302 PolarHBondContact O-N 2.87Å; Y298-S302 PolarHBondContact O-OG 3.09Å; E299-S302 WeakPolarHBondContact O-CB 3.37Å; E299-S302 PolarHBondContact O-N 3.46Å; E300-S302 VanDerWaalsContact C-N 3.27Å; E300-S302 PolarHBondContact O-N 3.49Å; S302-C305 WeakPolarHBondContact O-CB 3.27Å; S302-C305 PolarHBondContact O-N 3.49Å
303	K	86	Confident	85.2	Confident	76 Å²	76	35 Å²	35	33%	0.33	18%	0.175	S	C	.	.	H	α-helix	trans	-69.7	-32.9	173.8	-169.4	174.5	-172.2	172.7	0	112.2	E299 E300 V301 C305 S306 E469	E299-K303 PolarHBondContact O-N 2.85Å; E300-K303 CarbonylContact O-C 3.59Å; E300-K303 WeakPolarHBondContact O-CA 3.47Å; E300-K303 WeakPolarHBondContact O-CB 3.44Å; E300-K303 PolarHBondContact O-N 3.32Å; V301-K303 VanDerWaalsContact C-N 3.32Å; V301-K303 PolarHBondContact O-N 2.93Å; K303-C305 VanDerWaalsContact C-N 3.33Å; K303-S306 PolarHBondContact O-N 3.34Å; K303-S306 PolarHBondContact O-OG 2.85Å; K303-E469 IonicContact NZ-OE1 2.9Å; K303-E469 PolarHBondContact NZ-OE1 2.8Å
304	L	89.8	Confident	84.6	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-68.2	-34.3	174.6	-65.4	175.4	0	0	0	111.5	E300 V301 S306 L307 Y318 F404 F433 L448 L450	E300-L304 HydrophobicContact CG-CD1 4.39Å; E300-L304 HydrophobicContact CG-CG 4.5Å; E300-L304 VanDerWaalsContact O-CG 3.27Å; E300-L304 WeakPolarHBondContact O-CG 3.49Å; E300-L304 PolarHBondContact O-N 3.28Å; V301-L304 WeakPolarHBondContact O-CB 3.42Å; V301-L304 PolarHBondContact O-N 2.9Å; V301-L304 VanDerWaalsContact O-N 3.13Å; L304-S306 PolarHBondContact O-N 2.95Å; L304-S306 VanDerWaalsContact O-N 3.13Å; L304-L307 HydrophobicContact CB-CD1 4.29Å; L304-L307 HydrophobicContact CD2-CD1 3.64Å; L304-L307 HydrophobicContact CD2-CG 4.35Å; L304-L307 VanDerWaalsContact O-CB 3.26Å; L304-L307 WeakPolarHBondContact O-CB 3.45Å; L304-L307 VanDerWaalsContact O-CG 3.26Å; L304-L307 WeakPolarHBondContact O-CG 3.36Å; L304-L307 PolarHBondContact O-N 3.38Å; L304-Y318 HydrophobicContact CD2-CD1 4.13Å; L304-Y318 HydrophobicContact CD2-CE1 3.93Å; L304-F404 HydrophobicContact CD1-CE2 3.95Å; L304-F404 HydrophobicContact CD1-CZ 3.74Å; L304-F433 HydrophobicContact CB-CD1 4.22Å; L304-F433 HydrophobicContact CB-CE1 3.49Å; L304-F433 VanDerWaalsContact CB-CE1 3.49Å; L304-F433 HydrophobicContact CB-CZ 3.82Å; L304-F433 HydrophobicContact CD1-CE1 4.35Å; L304-F433 HydrophobicContact CD1-CZ 4.42Å; L304-L448 HydrophobicContact CD1-CD2 3.97Å; L304-L448 HydrophobicContact CD2-CD2 3.5Å; L304-L448 HydrophobicContact CG-CD2 4.25Å; L304-L450 WeakPolarHBondContact O-CD1 3.31Å
305	C	86.9	Confident	84.1	Confident	8 Å²	8	36.1 Å²	36.1	5%	0.054	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.4	175.4	-69.2	0	0	0	0	114	V301 S302 K303 M458	V301-C305 PolarHBondContact O-N 3.47Å; V301-C305 PolarHBondContact O-SG 3.35Å; S302-C305 WeakPolarHBondContact O-CB 3.27Å; S302-C305 PolarHBondContact O-N 3.49Å; K303-C305 VanDerWaalsContact C-N 3.33Å; C305-M458 HydrophobicContact CB-CE 3.89Å; C305-M458 HydrophobicContact CB-CG 4.35Å; C305-M458 HydrophobicContact CB-SD 4.02Å
306	S	77.1	Confident	83.6	Confident	66 Å²	66	36.7 Å²	36.7	46%	0.462	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	8.6	174.2	65.5	0	0	0	0	113.9	K303 L304	K303-S306 PolarHBondContact O-N 3.34Å; K303-S306 PolarHBondContact O-OG 2.85Å; L304-S306 PolarHBondContact O-N 2.95Å; L304-S306 VanDerWaalsContact O-N 3.13Å
307	L	77.4	Confident	83.2	Confident	36 Å²	36	39.7 Å²	39.7	19%	0.188	20%	0.196	C	C	.	.			trans	-64.1	147.2	174.1	-73.3	175.1	0	0	0	111.7	L304 L448 L450	L304-L307 HydrophobicContact CB-CD1 4.29Å; L304-L307 HydrophobicContact CD2-CD1 3.64Å; L304-L307 HydrophobicContact CD2-CG 4.35Å; L304-L307 VanDerWaalsContact O-CB 3.26Å; L304-L307 WeakPolarHBondContact O-CB 3.45Å; L304-L307 VanDerWaalsContact O-CG 3.26Å; L304-L307 WeakPolarHBondContact O-CG 3.36Å; L304-L307 PolarHBondContact O-N 3.38Å; L307-L448 HydrophobicContact CD1-CD2 3.95Å; L307-L450 HydrophobicContact CB-CD1 3.86Å; L307-L450 HydrophobicContact CD1-CD1 3.84Å; L307-L450 HydrophobicContact CG-CD1 4.39Å
308	S	70.5	Confident	82.9	Confident	34 Å²	34	39.7 Å²	39.7	24%	0.238	20%	0.196	C	C	.	.			trans	-64.8	140.6	168.4	175.7	0	0	0	0	110	E310	S308-E310 PolarHBondContact O-N 3.26Å; S308-E310 PolarHBondContact OG-N 3.01Å
309	E	70	Confident	82.7	Confident	92 Å²	92	39 Å²	39	43%	0.43	19%	0.193	S	C	.	.	S	Bend	trans	-58.8	-26.9	171.5	178.6	170.1	-171.8	0	0	111.6	R449 I455 R459	E309-R449 PolarHBondContact O-NH1 2.86Å; E309-I455 HydrophobicContact CB-CD1 4.08Å; E309-I455 HydrophobicContact CG-CD1 3.79Å; E309-R459 IonicContact OE2-CZ 3.14Å; E309-R459 IonicContact OE2-NH1 3.85Å; E309-R459 PolarHBondContact OE2-NH1 2.94Å; E309-R459 VanDerWaalsContact OE2-NH1 3.14Å; E309-R459 IonicContact OE2-NH2 2.81Å; E309-R459 PolarHBondContact OE2-NH2 3.44Å
310	E	68.1	Low	82.5	Confident	52 Å²	52	37.4 Å²	37.4	24%	0.243	19%	0.185	C	C	.	.	S	Bend	trans	-101.8	-30.9	-168.2	-56.9	-146.6	-175.7	0	0	113.7	S308 R449 K593 N597	S308-E310 PolarHBondContact O-N 3.26Å; S308-E310 PolarHBondContact OG-N 3.01Å; E310-R449 PolarHBondContact O-NH1 2.89Å; E310-R449 VanDerWaalsContact O-NH1 3.11Å; E310-K593 WeakPolarHBondContact OE2-CE 3.48Å; E310-K593 IonicContact OE2-NZ 2.66Å; E310-N597 WeakPolarHBondContact CG-OD1 3.18Å; E310-N597 PolarHBondContact OE1-OD1 3.27Å; E310-N597 VanDerWaalsContact OE2-CG 3.24Å; E310-N597 PolarHBondContact OE2-ND2 3.04Å; E310-N597 PolarHBondContact OE2-OD1 3.3Å
311	Y	71.1	Confident	82.3	Confident	140 Å²	140	39.3 Å²	39.3	55%	0.549	19%	0.193	S	C	.	.			trans	-111.4	132.9	-178.4	179.8	-91.4	0	0	0	111.6	D313	Y311-D313 WeakPolarHBondContact CE1-OD1 3.3Å; Y311-D313 PolarHBondContact OH-OD1 2.84Å
312	S	77.7	Confident	82.3	Confident	6 Å²	6	39.2 Å²	39.2	4%	0.042	19%	0.192	C	C	.	.			trans	-141.1	142.3	167.8	178.7	0	0	0	0	109.2	Y318 L448	S312-Y318 PolarHBondContact OG-OH 3.21Å; S312-L448 WeakPolarHBondContact CB-O 3.34Å; S312-L448 PolarHBondContact OG-N 3Å; S312-L448 PolarHBondContact OG-O 3.42Å
313	D	82.3	Confident	82.5	Confident	29 Å²	29	37.8 Å²	37.8	16%	0.155	18%	0.182	C	C	.	.			trans	-72.5	157	171.1	-63.4	-65.6	0	0	0	110.5	Y311 F317 Y318	Y311-D313 WeakPolarHBondContact CE1-OD1 3.3Å; Y311-D313 PolarHBondContact OH-OD1 2.84Å; D313-F317 HydrophobicContact CB-CB 4.05Å; D313-F317 HydrophobicContact CB-CD1 3.49Å; D313-F317 VanDerWaalsContact CB-CD1 3.49Å; D313-F317 HydrophobicContact CB-CE1 4.16Å; D313-F317 HydrophobicContact CB-CG 3.95Å; D313-Y318 HydrophobicContact CB-CE1 4.47Å; D313-Y318 HydrophobicContact CB-CE2 3.99Å; D313-Y318 PolarHBondContact N-OH 2.99Å; D313-Y318 VanDerWaalsContact N-OH 3.16Å; D313-Y318 VanDerWaalsContact O-CE2 3.27Å; D313-Y318 WeakPolarHBondContact O-CE2 3.5Å
314	P	83.6	Confident	82.6	Confident	22 Å²	22	36 Å²	36	14%	0.143	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-58.5	147.3	170.4	-13.9	23.2	0	0	0	111.6	F316 F317 Q445	P314-F316 VanDerWaalsContact C-N 3.26Å; P314-F316 HydrophobicContact CB-CD1 3.52Å; P314-F316 HydrophobicContact CB-CE1 3.21Å; P314-F316 HydrophobicContact CB-CG 4.37Å; P314-F316 HydrophobicContact CB-CZ 3.83Å; P314-F316 HydrophobicContact CG-CD1 4.35Å; P314-F316 HydrophobicContact CG-CE1 3.57Å; P314-F316 HydrophobicContact CG-CZ 3.73Å; P314-F316 PolarHBondContact O-N 3.14Å; P314-F316 VanDerWaalsContact O-N 3.09Å; P314-F317 VanDerWaalsContact O-CB 3.29Å; P314-F317 WeakPolarHBondContact O-CB 3.39Å; P314-F317 PolarHBondContact O-N 3.33Å; P314-Q445 HydrophobicContact CB-CG 3.94Å; P314-Q445 HydrophobicContact CG-CG 4.39Å
315	M	86.6	Confident	82.6	Confident	5 Å²	5	38 Å²	38	3%	0.025	18%	0.184	C	C	.	.	H	α-helix	trans	-53.5	-35.8	-178.1	-75.9	-53.3	-58.6	0	0	115.2	F317 Y318 Y319 F404 T435 E446 L448	M315-F317 PolarHBondContact O-N 3.1Å; M315-F317 VanDerWaalsContact O-N 3.17Å; M315-Y318 PolarHBondContact O-N 2.81Å; M315-Y318 VanDerWaalsContact O-N 3.08Å; M315-Y318 HydrophobicContact SD-CD2 4.15Å; M315-Y319 HydrophobicContact CB-CE1 4.37Å; M315-Y319 HydrophobicContact CB-CE2 3.98Å; M315-Y319 HydrophobicContact CE-CD1 4.28Å; M315-Y319 HydrophobicContact CE-CE1 3.36Å; M315-Y319 VanDerWaalsContact O-CG 3.32Å; M315-Y319 PolarHBondContact O-N 3.33Å; M315-F404 HydrophobicContact CE-CD1 3.48Å; M315-F404 VanDerWaalsContact CE-CD1 3.48Å; M315-F404 HydrophobicContact CE-CD2 4.4Å; M315-F404 HydrophobicContact CE-CE1 3.59Å; M315-F404 HydrophobicContact CE-CE2 4.47Å; M315-F404 HydrophobicContact CE-CG 3.92Å; M315-F404 HydrophobicContact CE-CZ 4.1Å; M315-T435 HydrophobicContact CE-CG2 4.39Å; M315-T435 HydrophobicContact CG-CG2 4.2Å; M315-T435 HydrophobicContact SD-CG2 3.83Å; M315-E446 HydrophobicContact CB-CB 4.41Å; M315-E446 HydrophobicContact CG-CB 3.93Å; M315-E446 HydrophobicContact CG-CG 3.64Å; M315-E446 PolarHBondContact N-O 3.33Å; M315-L448 HydrophobicContact SD-CB 3.86Å; M315-L448 HydrophobicContact SD-CD1 4.21Å
316	F	81.4	Confident	82.9	Confident	54 Å²	54	37.6 Å²	37.6	24%	0.237	18%	0.181	C	C	.	.	H	α-helix	trans	-60.4	-27.1	179.3	69.4	-103.3	0	0	0	113.4	P314 E320 Q397	P314-F316 VanDerWaalsContact C-N 3.26Å; P314-F316 HydrophobicContact CB-CD1 3.52Å; P314-F316 HydrophobicContact CB-CE1 3.21Å; P314-F316 HydrophobicContact CB-CG 4.37Å; P314-F316 HydrophobicContact CB-CZ 3.83Å; P314-F316 HydrophobicContact CG-CD1 4.35Å; P314-F316 HydrophobicContact CG-CE1 3.57Å; P314-F316 HydrophobicContact CG-CZ 3.73Å; P314-F316 PolarHBondContact O-N 3.14Å; P314-F316 VanDerWaalsContact O-N 3.09Å; F316-E320 PolarHBondContact O-N 3.03Å; F316-E320 VanDerWaalsContact O-N 3.11Å; F316-Q397 PolarHBondContact O-NE2 2.72Å
317	F	84.6	Confident	83.6	Confident	76 Å²	76	35 Å²	35	33%	0.333	16%	0.162	S	C	.	.	H	α-helix	trans	-68.9	-44.8	175.7	172.1	-98.4	0	0	0	110.8	D313 P314 M315 Y319 E320 R321	D313-F317 HydrophobicContact CB-CB 4.05Å; D313-F317 HydrophobicContact CB-CD1 3.49Å; D313-F317 VanDerWaalsContact CB-CD1 3.49Å; D313-F317 HydrophobicContact CB-CE1 4.16Å; D313-F317 HydrophobicContact CB-CG 3.95Å; P314-F317 VanDerWaalsContact O-CB 3.29Å; P314-F317 WeakPolarHBondContact O-CB 3.39Å; P314-F317 PolarHBondContact O-N 3.33Å; M315-F317 PolarHBondContact O-N 3.1Å; M315-F317 VanDerWaalsContact O-N 3.17Å; F317-Y319 VanDerWaalsContact C-N 3.33Å; F317-Y319 PolarHBondContact O-N 3.29Å; F317-E320 PolarHBondContact O-N 2.78Å; F317-R321 VanDerWaalsContact O-CB 3.26Å; F317-R321 WeakPolarHBondContact O-CB 3.4Å; F317-R321 PolarHBondContact O-N 2.97Å
318	Y	90.2	Very high	84	Confident	0 Å²	0	38 Å²	38	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.9	-36.6	176.6	-62.1	-61.6	0	0	0	111.8	L304 S312 D313 M315 R321 L322 F404 L448	L304-Y318 HydrophobicContact CD2-CD1 4.13Å; L304-Y318 HydrophobicContact CD2-CE1 3.93Å; S312-Y318 PolarHBondContact OG-OH 3.21Å; D313-Y318 HydrophobicContact CB-CE1 4.47Å; D313-Y318 HydrophobicContact CB-CE2 3.99Å; D313-Y318 PolarHBondContact N-OH 2.99Å; D313-Y318 VanDerWaalsContact N-OH 3.16Å; D313-Y318 VanDerWaalsContact O-CE2 3.27Å; D313-Y318 WeakPolarHBondContact O-CE2 3.5Å; M315-Y318 PolarHBondContact O-N 2.81Å; M315-Y318 VanDerWaalsContact O-N 3.08Å; M315-Y318 HydrophobicContact SD-CD2 4.15Å; Y318-R321 VanDerWaalsContact CD1-NH2 3.35Å; Y318-L322 VanDerWaalsContact O-CB 3.32Å; Y318-L322 WeakPolarHBondContact O-CB 3.48Å; Y318-L322 PolarHBondContact O-N 3.39Å; Y318-F404 HydrophobicContact CG-CE2 4.39Å; Y318-L448 HydrophobicContact CD2-CB 4.24Å; Y318-L448 HydrophobicContact CD2-CD2 4.36Å; Y318-L448 HydrophobicContact CE2-CB 3.77Å; Y318-L448 HydrophobicContact CE2-CD2 4.11Å
319	Y	90.1	Very high	85	Confident	32 Å²	32	39.5 Å²	39.5	13%	0.125	18%	0.176	C	C	.	.	H	α-helix	trans	-62.4	-51.6	175.9	-58	-24.3	0	0	0	111.9	M315 F317 R321 L322 A323 G400 R401 F404	M315-Y319 HydrophobicContact CB-CE1 4.37Å; M315-Y319 HydrophobicContact CB-CE2 3.98Å; M315-Y319 HydrophobicContact CE-CD1 4.28Å; M315-Y319 HydrophobicContact CE-CE1 3.36Å; M315-Y319 VanDerWaalsContact O-CG 3.32Å; M315-Y319 PolarHBondContact O-N 3.33Å; F317-Y319 VanDerWaalsContact C-N 3.33Å; F317-Y319 PolarHBondContact O-N 3.29Å; Y319-R321 PolarHBondContact O-N 3.43Å; Y319-L322 PolarHBondContact O-N 3.34Å; Y319-A323 WeakPolarHBondContact O-CB 3.39Å; Y319-A323 PolarHBondContact O-N 2.88Å; Y319-G400 VanDerWaalsContact O-CA 3.32Å; Y319-G400 WeakPolarHBondContact O-CA 3.27Å; Y319-R401 HydrophobicContact CD1-CB 4.37Å; Y319-R401 HydrophobicContact CD2-CB 4.2Å; Y319-R401 HydrophobicContact CE1-CB 4.31Å; Y319-R401 HydrophobicContact CE2-CB 4.15Å; Y319-R401 HydrophobicContact CE2-CG 4.35Å; Y319-R401 HydrophobicContact CG-CB 4.33Å; Y319-F404 HydrophobicContact CD1-CB 3.95Å; Y319-F404 HydrophobicContact CD1-CG 4.35Å; Y319-F404 HydrophobicContact CE1-CB 3.69Å; Y319-F404 HydrophobicContact CE1-CG 4.04Å
320	E	85.2	Confident	86	Confident	25 Å²	25	35.2 Å²	35.2	12%	0.117	16%	0.156	C	C	.	.	H	α-helix	trans	-60.5	-47.1	178	-175.6	168	-157.5	0	0	111.4	F316 F317 L322 A323 D324 K396	F316-E320 PolarHBondContact O-N 3.03Å; F316-E320 VanDerWaalsContact O-N 3.11Å; F317-E320 PolarHBondContact O-N 2.78Å; E320-L322 VanDerWaalsContact C-N 3.33Å; E320-L322 PolarHBondContact O-N 3.08Å; E320-A323 PolarHBondContact O-N 3.4Å; E320-D324 WeakPolarHBondContact O-CB 3.42Å; E320-D324 PolarHBondContact O-N 3.32Å; E320-K396 HydrophobicContact CG-CD 4.32Å
321	R	88.3	Confident	87	Confident	40 Å²	40	33.8 Å²	33.8	15%	0.151	15%	0.149	C	C	.	.	H	α-helix	trans	-55.3	-47.6	178.1	-178.6	171.3	81.4	-176.7	5.1	111.9	E300 F317 Y318 Y319 D324 R325	E300-R321 IonicContact OE1-CZ 3.14Å; E300-R321 IonicContact OE1-NE 3.88Å; E300-R321 PolarHBondContact OE1-NE 3.3Å; E300-R321 IonicContact OE1-NH2 3.78Å; E300-R321 PolarHBondContact OE1-NH2 3.42Å; E300-R321 IonicContact OE2-NE 2.85Å; E300-R321 IonicContact OE2-NH2 2.62Å; F317-R321 VanDerWaalsContact O-CB 3.26Å; F317-R321 WeakPolarHBondContact O-CB 3.4Å; F317-R321 PolarHBondContact O-N 2.97Å; Y318-R321 VanDerWaalsContact CD1-NH2 3.35Å; Y319-R321 PolarHBondContact O-N 3.43Å; R321-D324 PolarHBondContact O-N 2.9Å; R321-R325 WeakPolarHBondContact O-CG 3.4Å; R321-R325 PolarHBondContact O-N 3.19Å
322	L	92.7	Very high	87.8	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-68.9	-40.1	-177.6	-168.4	55.9	0	0	0	111.9	I296 L297 E300 Y318 Y319 E320 R325 L326 L403 F404 I407	I296-L322 HydrophobicContact CG2-CD1 3.87Å; L297-L322 HydrophobicContact CD2-CD1 4.14Å; L297-L322 HydrophobicContact CD2-CD2 3.78Å; L297-L322 HydrophobicContact CD2-CG 4.29Å; E300-L322 HydrophobicContact CB-CD1 3.9Å; E300-L322 HydrophobicContact CG-CD1 3.91Å; Y318-L322 VanDerWaalsContact O-CB 3.32Å; Y318-L322 WeakPolarHBondContact O-CB 3.48Å; Y318-L322 PolarHBondContact O-N 3.39Å; Y319-L322 PolarHBondContact O-N 3.34Å; E320-L322 VanDerWaalsContact C-N 3.33Å; E320-L322 PolarHBondContact O-N 3.08Å; L322-R325 PolarHBondContact O-N 2.95Å; L322-L326 PolarHBondContact O-N 3.44Å; L322-L326 VanDerWaalsContact O-N 3.11Å; L322-L403 HydrophobicContact CD2-CB 3.51Å; L322-L403 HydrophobicContact CD2-CD1 4.27Å; L322-L403 HydrophobicContact CG-CB 4.18Å; L322-L403 HydrophobicContact CG-CD1 4Å; L322-F404 HydrophobicContact CD2-CD2 4.38Å; L322-I407 HydrophobicContact CD2-CD1 3.92Å
323	A	92.3	Very high	88.3	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.7	-37.9	174.4	0	0	0	0	0	112.4	Y319 E320 R325 L326 M327 K396 I399	Y319-A323 WeakPolarHBondContact O-CB 3.39Å; Y319-A323 PolarHBondContact O-N 2.88Å; E320-A323 PolarHBondContact O-N 3.4Å; A323-R325 VanDerWaalsContact C-N 3.34Å; A323-R325 PolarHBondContact O-N 3.44Å; A323-L326 PolarHBondContact O-N 3.47Å; A323-M327 WeakPolarHBondContact O-CB 3.41Å; A323-M327 PolarHBondContact O-N 2.92Å; A323-K396 HydrophobicContact CB-CB 3.69Å; A323-K396 HydrophobicContact CB-CG 3.99Å; A323-K396 VanDerWaalsContact CB-O 3.26Å; A323-K396 WeakPolarHBondContact CB-O 3.45Å; A323-I399 HydrophobicContact CB-CB 4.22Å; A323-I399 HydrophobicContact CB-CG2 4.07Å
324	D	88	Confident	88.5	Confident	40 Å²	40	31 Å²	31	21%	0.214	14%	0.143	C	C	.	.	H	α-helix	trans	-63.2	-39.5	174.1	-83.1	-22.8	0	0	0	112.1	E320 R321 M327 K328 K396	E320-D324 WeakPolarHBondContact O-CB 3.42Å; E320-D324 PolarHBondContact O-N 3.32Å; R321-D324 PolarHBondContact O-N 2.9Å; D324-M327 PolarHBondContact O-N 3.47Å; D324-K328 WeakPolarHBondContact O-CB 3.41Å; D324-K328 VanDerWaalsContact O-CG 3.23Å; D324-K328 WeakPolarHBondContact O-CG 3.23Å; D324-K328 PolarHBondContact O-N 3.06Å; D324-K396 WeakPolarHBondContact OD1-CD 3.25Å; D324-K396 WeakPolarHBondContact OD1-CE 3.4Å; D324-K396 IonicContact OD1-NZ 2.82Å; D324-K396 PolarHBondContact OD1-NZ 2.92Å; D324-K396 IonicContact OD2-NZ 3.96Å
325	R	89.8	Confident	88.7	Confident	40 Å²	40	30.4 Å²	30.4	15%	0.151	14%	0.138	C	C	.	.	H	α-helix	trans	-63.8	-43.2	175.6	-69.6	-179.3	73.1	-156.8	-7.3	111.7	I296 E299 E300 R321 L322 A323 K328 K329	I296-R325 HydrophobicContact CG2-CB 4.07Å; I296-R325 PolarHBondContact O-NH1 2.97Å; E299-R325 IonicContact OE2-CZ 3.94Å; E299-R325 IonicContact OE2-NH2 3.13Å; E299-R325 PolarHBondContact OE2-NH2 3.24Å; E300-R325 IonicContact OE2-NH1 3.65Å; E300-R325 PolarHBondContact OE2-NH1 2.94Å; R321-R325 WeakPolarHBondContact O-CG 3.4Å; R321-R325 PolarHBondContact O-N 3.19Å; L322-R325 PolarHBondContact O-N 2.95Å; A323-R325 VanDerWaalsContact C-N 3.34Å; A323-R325 PolarHBondContact O-N 3.44Å; R325-K328 PolarHBondContact O-N 2.82Å; R325-K329 PolarHBondContact O-N 3.24Å; R325-K329 VanDerWaalsContact O-N 3.08Å
326	L	93.4	Very high	88.7	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.6	-47.5	173.6	173.4	57.9	0	0	0	111.7	L285 I288 L293 L322 A323 K328 K329 F330 W391 I399 L403	L285-L326 HydrophobicContact CD2-CD2 4Å; I288-L326 HydrophobicContact CD1-CD1 3.24Å; I288-L326 HydrophobicContact CG1-CD1 3.57Å; I288-L326 HydrophobicContact CG2-CD1 4.41Å; L293-L326 HydrophobicContact CD1-CD1 4.11Å; L293-L326 HydrophobicContact CD1-CD2 4.37Å; L322-L326 PolarHBondContact O-N 3.44Å; L322-L326 VanDerWaalsContact O-N 3.11Å; A323-L326 PolarHBondContact O-N 3.47Å; L326-K328 PolarHBondContact O-N 3.28Å; L326-K329 PolarHBondContact O-N 3.47Å; L326-F330 PolarHBondContact O-N 2.91Å; L326-W391 HydrophobicContact CB-CZ3 4.32Å; L326-W391 HydrophobicContact CD2-CH2 3.99Å; L326-W391 HydrophobicContact CD2-CZ3 3.99Å; L326-W391 HydrophobicContact CG-CH2 3.72Å; L326-W391 HydrophobicContact CG-CZ3 3.87Å; L326-I399 HydrophobicContact CD2-CG2 3.79Å; L326-L403 HydrophobicContact CD2-CD1 3.99Å
327	M	91	Very high	88.9	Confident	13 Å²	13	40.2 Å²	40.2	6%	0.064	18%	0.177	C	C	.	.	H	α-helix	trans	-60.1	-44.5	178.1	-172	-177.3	68.3	0	0	111.7	A323 D324 K329 F330 H331 W391	A323-M327 WeakPolarHBondContact O-CB 3.41Å; A323-M327 PolarHBondContact O-N 2.92Å; D324-M327 PolarHBondContact O-N 3.47Å; M327-K329 PolarHBondContact O-N 3.26Å; M327-F330 CarbonylContact O-C 3.55Å; M327-F330 WeakPolarHBondContact O-CA 3.34Å; M327-F330 WeakPolarHBondContact O-CB 3.34Å; M327-F330 PolarHBondContact O-N 3.49Å; M327-F330 VanDerWaalsContact O-N 3.12Å; M327-H331 PolarHBondContact O-N 2.93Å; M327-W391 HydrophobicContact CB-CD2 3.92Å; M327-W391 HydrophobicContact CB-CE3 3.64Å; M327-W391 HydrophobicContact CB-CH2 4.27Å; M327-W391 HydrophobicContact CB-CZ2 4.46Å; M327-W391 HydrophobicContact CB-CZ3 3.83Å; M327-W391 HydrophobicContact CG-CD2 3.73Å; M327-W391 HydrophobicContact CG-CE3 4.01Å; M327-W391 HydrophobicContact CG-CG 4.03Å; M327-W391 HydrophobicContact CG-CZ2 4.49Å; M327-W391 HydrophobicContact SD-CB 3.79Å; M327-W391 HydrophobicContact SD-CD2 4.06Å; M327-W391 HydrophobicContact SD-CE3 4.45Å; M327-W391 HydrophobicContact SD-CG 3.79Å; M327-W391 PolarHBondContact SD-N 3.45Å; M327-W391 VanDerWaalsContact SD-N 3.36Å
328	K	87.8	Confident	88.8	Confident	97 Å²	97	39.4 Å²	39.4	42%	0.422	18%	0.175	S	C	.	.	H	α-helix	trans	-58.9	-45.4	175.2	-75.5	172.7	-179.7	-176.9	0	111.4	D324 R325 L326 F330 H331 V332	D324-K328 WeakPolarHBondContact O-CB 3.41Å; D324-K328 VanDerWaalsContact O-CG 3.23Å; D324-K328 WeakPolarHBondContact O-CG 3.23Å; D324-K328 PolarHBondContact O-N 3.06Å; R325-K328 PolarHBondContact O-N 2.82Å; L326-K328 PolarHBondContact O-N 3.28Å; K328-F330 VanDerWaalsContact C-N 3.26Å; K328-F330 PolarHBondContact O-N 3.41Å; K328-H331 WeakPolarHBondContact O-CB 3.49Å; K328-H331 PolarHBondContact O-N 3.28Å; K328-V332 WeakPolarHBondContact O-CG2 3.26Å; K328-V332 PolarHBondContact O-N 3.17Å
329	K	90.1	Very high	88.6	Confident	66 Å²	66	43.3 Å²	43.3	29%	0.287	20%	0.195	S	C	.	.	H	α-helix	trans	-62.5	-36.2	176.3	-171.3	67.6	175.7	-174.4	0	111.6	I288 E292 I296 R325 L326 M327 V332 H333	I288-K329 HydrophobicContact CD1-CG 4.38Å; I288-K329 HydrophobicContact CG2-CB 4.37Å; I288-K329 HydrophobicContact CG2-CG 3.99Å; E292-K329 WeakPolarHBondContact OE1-CE 3.46Å; E292-K329 IonicContact OE1-NZ 3.74Å; I296-K329 HydrophobicContact CD1-CB 3.94Å; I296-K329 HydrophobicContact CD1-CG 4.21Å; R325-K329 PolarHBondContact O-N 3.24Å; R325-K329 VanDerWaalsContact O-N 3.08Å; L326-K329 PolarHBondContact O-N 3.47Å; M327-K329 PolarHBondContact O-N 3.26Å; K329-V332 PolarHBondContact O-N 2.93Å; K329-H333 PolarHBondContact O-N 3Å; K329-H333 PolarHBondContact O-ND1 3.1Å
330	F	91.4	Very high	88.5	Confident	3 Å²	3	42.2 Å²	42.2	1%	0.013	19%	0.192	C	C	.	.	H	α-helix	trans	-65.2	-43.4	173.2	171.6	-128.6	0	0	0	112.6	A35 C287 I288 L326 M327 K328 V332 H333 L334 V389 W391	A35-F330 HydrophobicContact CB-CE2 3.95Å; A35-F330 HydrophobicContact CB-CZ 3.51Å; C287-F330 HydrophobicContact CB-CB 4.37Å; C287-F330 HydrophobicContact CB-CD2 3.46Å; C287-F330 VanDerWaalsContact CB-CD2 3.46Å; C287-F330 HydrophobicContact CB-CE2 3.76Å; C287-F330 HydrophobicContact CB-CG 3.88Å; C287-F330 HydrophobicContact CB-CZ 4.41Å; I288-F330 HydrophobicContact CG2-CB 4.46Å; L326-F330 PolarHBondContact O-N 2.91Å; M327-F330 CarbonylContact O-C 3.55Å; M327-F330 WeakPolarHBondContact O-CA 3.34Å; M327-F330 WeakPolarHBondContact O-CB 3.34Å; M327-F330 PolarHBondContact O-N 3.49Å; M327-F330 VanDerWaalsContact O-N 3.12Å; K328-F330 VanDerWaalsContact C-N 3.26Å; K328-F330 PolarHBondContact O-N 3.41Å; F330-V332 VanDerWaalsContact C-N 3.3Å; F330-V332 PolarHBondContact O-N 3.29Å; F330-H333 WeakPolarHBondContact O-CB 3.49Å; F330-H333 PolarHBondContact O-N 3.19Å; F330-H333 VanDerWaalsContact O-N 3.12Å; F330-L334 HydrophobicContact CD1-CD1 4.43Å; F330-L334 HydrophobicContact CD2-CD1 4.49Å; F330-L334 HydrophobicContact CD2-CG 4.17Å; F330-L334 HydrophobicContact CE1-CD1 3.86Å; F330-L334 HydrophobicContact CE2-CD1 3.93Å; F330-L334 HydrophobicContact CE2-CD2 3.79Å; F330-L334 HydrophobicContact CE2-CG 3.74Å; F330-L334 HydrophobicContact CZ-CD1 3.59Å; F330-L334 HydrophobicContact CZ-CD2 4.08Å; F330-L334 HydrophobicContact CZ-CG 3.95Å; F330-L334 PolarHBondContact O-N 3.3Å; F330-V389 HydrophobicContact CE1-CB 4.33Å; F330-V389 HydrophobicContact CE1-CG1 3.78Å; F330-W391 HydrophobicContact CB-CZ2 4.48Å; F330-W391 AromaticContact CD1-CZ2 3.8Å; F330-W391 HydrophobicContact CD1-CZ2 3.8Å; F330-W391 HydrophobicContact CE1-CZ2 4.42Å; F330-W391 HydrophobicContact CG-CZ2 4.4Å
331	H	88.2	Confident	88.8	Confident	22 Å²	22	41.2 Å²	41.2	10%	0.102	19%	0.187	C	C	.	.	H	α-helix	trans	-59	-40.9	173.9	-65.2	162.7	0	0	0	112.2	M327 K328 H333 L334 R335 V389	M327-H331 PolarHBondContact O-N 2.93Å; K328-H331 WeakPolarHBondContact O-CB 3.49Å; K328-H331 PolarHBondContact O-N 3.28Å; H331-H333 VanDerWaalsContact C-N 3.33Å; H331-H333 PolarHBondContact O-N 3.44Å; H331-L334 PolarHBondContact O-N 3.02Å; H331-R335 WeakPolarHBondContact O-CB 3.44Å; H331-R335 WeakPolarHBondContact O-CG 3.16Å; H331-R335 PolarHBondContact O-N 2.93Å; H331-V389 PolarHBondContact NE2-O 2.71Å
332	V	88.7	Confident	88.9	Confident	37 Å²	37	41.7 Å²	41.7	22%	0.224	19%	0.193	C	C	.	.	H	α-helix	trans	-57.2	-45.2	173.9	172.5	0	0	0	0	111.3	K328 K329 F330 L334 R335 Q336 F341 I492	K328-V332 WeakPolarHBondContact O-CG2 3.26Å; K328-V332 PolarHBondContact O-N 3.17Å; K329-V332 PolarHBondContact O-N 2.93Å; F330-V332 VanDerWaalsContact C-N 3.3Å; F330-V332 PolarHBondContact O-N 3.29Å; V332-L334 PolarHBondContact O-N 3.12Å; V332-R335 PolarHBondContact O-N 3.1Å; V332-Q336 WeakPolarHBondContact O-CB 3.42Å; V332-Q336 PolarHBondContact O-N 3.31Å; V332-F341 HydrophobicContact CB-CZ 4.48Å; V332-F341 HydrophobicContact CG1-CE2 3.98Å; V332-F341 HydrophobicContact CG1-CZ 3.93Å; V332-I492 HydrophobicContact CG1-CG2 4.29Å; V332-I492 HydrophobicContact CG2-CG2 3.64Å
333	H	89.1	Confident	88.8	Confident	45 Å²	45	42.2 Å²	42.2	21%	0.208	20%	0.195	C	C	.	.	H	α-helix	trans	-62.9	-42.2	176.4	-76.5	92.5	0	0	0	113	E292 K329 F330 H331 Q336 R337	E292-H333 IonicContact OE1-CE1 2.63Å; E292-H333 PolarHBondContact OE1-CE1 3.19Å; E292-H333 IonicContact OE1-NE2 2.92Å; E292-H333 PolarHBondContact OE1-NE2 3.48Å; E292-H333 IonicContact OE2-CE1 3.28Å; E292-H333 IonicContact OE2-NE2 3.14Å; K329-H333 PolarHBondContact O-N 3Å; K329-H333 PolarHBondContact O-ND1 3.1Å; F330-H333 WeakPolarHBondContact O-CB 3.49Å; F330-H333 PolarHBondContact O-N 3.19Å; F330-H333 VanDerWaalsContact O-N 3.12Å; H331-H333 VanDerWaalsContact C-N 3.33Å; H331-H333 PolarHBondContact O-N 3.44Å; H333-Q336 PolarHBondContact O-N 2.88Å; H333-R337 WeakPolarHBondContact O-CG 3.31Å; H333-R337 PolarHBondContact O-N 3.19Å
334	L	86	Confident	88.9	Confident	35 Å²	35	42.3 Å²	42.3	18%	0.183	20%	0.196	C	C	.	.	H	α-helix	trans	-62	-47.4	177.5	-69.2	-177.9	0	0	0	111.1	A35 F330 H331 V332 Q336 R337 M338 V389	A35-L334 HydrophobicContact CB-CD2 4.11Å; F330-L334 HydrophobicContact CD1-CD1 4.43Å; F330-L334 HydrophobicContact CD2-CD1 4.49Å; F330-L334 HydrophobicContact CD2-CG 4.17Å; F330-L334 HydrophobicContact CE1-CD1 3.86Å; F330-L334 HydrophobicContact CE2-CD1 3.93Å; F330-L334 HydrophobicContact CE2-CD2 3.79Å; F330-L334 HydrophobicContact CE2-CG 3.74Å; F330-L334 HydrophobicContact CZ-CD1 3.59Å; F330-L334 HydrophobicContact CZ-CD2 4.08Å; F330-L334 HydrophobicContact CZ-CG 3.95Å; F330-L334 PolarHBondContact O-N 3.3Å; H331-L334 PolarHBondContact O-N 3.02Å; V332-L334 PolarHBondContact O-N 3.12Å; L334-Q336 PolarHBondContact O-N 3.4Å; L334-R337 PolarHBondContact O-N 3.49Å; L334-M338 WeakPolarHBondContact O-CB 3.08Å; L334-M338 WeakPolarHBondContact O-CG 3.34Å; L334-M338 PolarHBondContact O-N 2.93Å; L334-V389 HydrophobicContact CD1-CB 4.33Å; L334-V389 HydrophobicContact CD1-CG2 3.92Å
335	R	87.2	Confident	89.2	Confident	9 Å²	9	46 Å²	46	3%	0.034	21%	0.207	C	C	.	.	H	α-helix	trans	-63.6	-39.1	178.5	-73.2	-178.1	63.5	-167.8	-9.9	112.4	H331 V332 M338 N339 V340 F341 T386 I492 E494	H331-R335 WeakPolarHBondContact O-CB 3.44Å; H331-R335 WeakPolarHBondContact O-CG 3.16Å; H331-R335 PolarHBondContact O-N 2.93Å; V332-R335 PolarHBondContact O-N 3.1Å; R335-M338 CarbonylContact O-C 3.6Å; R335-M338 PolarHBondContact O-N 2.84Å; R335-N339 PolarHBondContact O-N 3.09Å; R335-V340 HydrophobicContact CB-CB 4.09Å; R335-V340 HydrophobicContact CB-CG2 4.26Å; R335-V340 HydrophobicContact CG-CG2 4.44Å; R335-V340 WeakPolarHBondContact O-CB 3.43Å; R335-V340 WeakPolarHBondContact O-CG2 3.43Å; R335-V340 PolarHBondContact O-N 3.4Å; R335-F341 HydrophobicContact CB-CD1 4.47Å; R335-F341 HydrophobicContact CB-CE1 3.63Å; R335-F341 HydrophobicContact CB-CZ 3.75Å; R335-T386 HydrophobicContact CG-CG2 3.82Å; R335-I492 PolarHBondContact NH1-O 2.95Å; R335-E494 VanDerWaalsContact CD-OE1 3.28Å; R335-E494 WeakPolarHBondContact CD-OE1 3.39Å; R335-E494 IonicContact CZ-OE1 3Å; R335-E494 IonicContact NE-OE1 3.34Å; R335-E494 IonicContact NH1-OE1 2.9Å; R335-E494 PolarHBondContact NH1-OE1 3Å
336	Q	87.6	Confident	89.5	Confident	90 Å²	90	47 Å²	47	42%	0.421	22%	0.217	S	C	.	.	H	α-helix	trans	-61.7	-47.4	173.2	-176.4	69.5	57.8	0	0	111.8	V332 H333 L334 M338 N339 F341	V332-Q336 WeakPolarHBondContact O-CB 3.42Å; V332-Q336 PolarHBondContact O-N 3.31Å; H333-Q336 PolarHBondContact O-N 2.88Å; L334-Q336 PolarHBondContact O-N 3.4Å; Q336-M338 PolarHBondContact O-N 2.97Å; Q336-N339 PolarHBondContact O-N 2.91Å; Q336-F341 HydrophobicContact CB-CD2 4.32Å; Q336-F341 HydrophobicContact CB-CE2 3.93Å
337	R	85.1	Confident	89.6	Confident	175 Å²	175	47 Å²	47	66%	0.66	22%	0.217	S	C	*	.	H	α-helix	trans	-62.7	-31.7	177.9	-73.2	175.9	-177.5	177.7	2.7	112.6	A35 H333 L334 N339	A35-R337 PolarHBondContact O-NH1 3.41Å; H333-R337 WeakPolarHBondContact O-CG 3.31Å; H333-R337 PolarHBondContact O-N 3.19Å; L334-R337 PolarHBondContact O-N 3.49Å; R337-N339 PolarHBondContact O-N 3.08Å
338	M	83	Confident	89.8	Confident	59 Å²	59	46.6 Å²	46.6	29%	0.291	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	5.9	174.9	-68.7	179.2	76.4	0	0	113.5	L334 R335 Q336 V340 T386	L334-M338 WeakPolarHBondContact O-CB 3.08Å; L334-M338 WeakPolarHBondContact O-CG 3.34Å; L334-M338 PolarHBondContact O-N 2.93Å; R335-M338 CarbonylContact O-C 3.6Å; R335-M338 PolarHBondContact O-N 2.84Å; Q336-M338 PolarHBondContact O-N 2.97Å; M338-V340 HydrophobicContact CB-CG2 3.82Å; M338-V340 PolarHBondContact O-N 2.76Å; M338-T386 HydrophobicContact CE-CG2 4.06Å; M338-T386 HydrophobicContact SD-CG2 3.82Å
339	N	86.3	Confident	90.2	Very high	81 Å²	81	45.2 Å²	45.2	43%	0.433	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	23.9	-178.7	-156.8	42.1	0	0	0	114.8	R335 Q336 R337 F341 D342 K343	R335-N339 PolarHBondContact O-N 3.09Å; Q336-N339 PolarHBondContact O-N 2.91Å; R337-N339 PolarHBondContact O-N 3.08Å; N339-F341 PolarHBondContact O-N 3.3Å; N339-D342 WeakPolarHBondContact OD1-CB 3.34Å; N339-D342 PolarHBondContact OD1-OD2 3.19Å; N339-K343 PolarHBondContact O-N 3.41Å
340	V	87.6	Confident	90.5	Very high	9 Å²	9	45.4 Å²	45.4	6%	0.055	22%	0.223	C	C	.	.	H	α-helix	trans	-66.3	-37.8	-173.8	176.5	0	0	0	0	111.4	R335 M338 K343 V344 V384 T386	R335-V340 HydrophobicContact CB-CB 4.09Å; R335-V340 HydrophobicContact CB-CG2 4.26Å; R335-V340 HydrophobicContact CG-CG2 4.44Å; R335-V340 WeakPolarHBondContact O-CB 3.43Å; R335-V340 WeakPolarHBondContact O-CG2 3.43Å; R335-V340 PolarHBondContact O-N 3.4Å; M338-V340 HydrophobicContact CB-CG2 3.82Å; M338-V340 PolarHBondContact O-N 2.76Å; V340-K343 WeakPolarHBondContact O-CB 3.41Å; V340-K343 PolarHBondContact O-N 3.06Å; V340-V344 HydrophobicContact CG1-CG2 4.19Å; V340-V344 WeakPolarHBondContact O-CB 3.32Å; V340-V344 VanDerWaalsContact O-CG2 3.28Å; V340-V344 WeakPolarHBondContact O-CG2 3.33Å; V340-V344 PolarHBondContact O-N 2.7Å; V340-V384 HydrophobicContact CG1-CB 4.35Å; V340-T386 HydrophobicContact CG2-CG2 3.68Å
341	F	90.4	Very high	90.7	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.018	22%	0.223	C	C	.	.	H	α-helix	trans	-70.9	-37.4	-176	-54.4	-27.9	0	0	0	113.1	V332 R335 Q336 N339 K343 V344 R345 I492	V332-F341 HydrophobicContact CB-CZ 4.48Å; V332-F341 HydrophobicContact CG1-CE2 3.98Å; V332-F341 HydrophobicContact CG1-CZ 3.93Å; R335-F341 HydrophobicContact CB-CD1 4.47Å; R335-F341 HydrophobicContact CB-CE1 3.63Å; R335-F341 HydrophobicContact CB-CZ 3.75Å; Q336-F341 HydrophobicContact CB-CD2 4.32Å; Q336-F341 HydrophobicContact CB-CE2 3.93Å; N339-F341 PolarHBondContact O-N 3.3Å; F341-K343 VanDerWaalsContact C-N 3.35Å; F341-V344 PolarHBondContact O-N 2.88Å; F341-R345 WeakPolarHBondContact O-CB 3.39Å; F341-R345 PolarHBondContact O-N 3.42Å; F341-I492 HydrophobicContact CD1-CG1 4.07Å; F341-I492 HydrophobicContact CD2-CD1 4.44Å; F341-I492 HydrophobicContact CE1-CB 4.29Å; F341-I492 HydrophobicContact CE1-CG1 3.95Å; F341-I492 HydrophobicContact CE1-CG2 4.01Å; F341-I492 HydrophobicContact CE2-CD1 4.35Å; F341-I492 HydrophobicContact CE2-CG1 4.48Å; F341-I492 HydrophobicContact CG-CG1 4.42Å; F341-I492 HydrophobicContact CZ-CB 4.48Å; F341-I492 HydrophobicContact CZ-CD1 4.47Å; F341-I492 HydrophobicContact CZ-CG1 4.19Å; F341-I492 HydrophobicContact CZ-CG2 3.79Å
342	D	91.7	Very high	91	Very high	51 Å²	51	44.8 Å²	44.8	27%	0.273	22%	0.221	S	C	.	.	H	α-helix	trans	-69.2	-37.9	174.5	-69.4	-32.2	0	0	0	110.5	N339 R345 T346	N339-D342 WeakPolarHBondContact OD1-CB 3.34Å; N339-D342 PolarHBondContact OD1-OD2 3.19Å; D342-R345 WeakPolarHBondContact O-CB 3.45Å; D342-R345 PolarHBondContact O-N 3.08Å; D342-R345 IonicContact OD1-CZ 3.16Å; D342-R345 IonicContact OD1-NH1 2.71Å; D342-R345 PolarHBondContact OD1-NH1 2.77Å; D342-R345 IonicContact OD1-NH2 2.72Å; D342-R345 PolarHBondContact OD1-NH2 2.81Å; D342-T346 PolarHBondContact O-N 3.08Å; D342-T346 PolarHBondContact O-OG1 3.14Å
343	K	90.9	Very high	91.2	Very high	10 Å²	10	44.7 Å²	44.7	4%	0.043	22%	0.218	C	C	.	.	H	α-helix	trans	-60.1	-47.7	171.3	-171.6	174.3	-172.1	175.2	0	112.3	N339 V340 F341 R345 T346 I347 Y378 H381 S383 V384	N339-K343 PolarHBondContact O-N 3.41Å; V340-K343 WeakPolarHBondContact O-CB 3.41Å; V340-K343 PolarHBondContact O-N 3.06Å; F341-K343 VanDerWaalsContact C-N 3.35Å; K343-R345 VanDerWaalsContact C-N 3.32Å; K343-R345 PolarHBondContact O-N 3.16Å; K343-T346 PolarHBondContact O-N 3.15Å; K343-I347 HydrophobicContact CG-CD1 3.93Å; K343-I347 WeakPolarHBondContact O-CG1 3.41Å; K343-I347 PolarHBondContact O-N 2.92Å; K343-Y378 HydrophobicContact CG-CD2 4.03Å; K343-Y378 HydrophobicContact CG-CE1 4.24Å; K343-Y378 HydrophobicContact CG-CE2 3.65Å; K343-Y378 HydrophobicContact CG-CG 4.48Å; K343-H381 VanDerWaalsContact CE-O 3.31Å; K343-H381 WeakPolarHBondContact CE-O 3.34Å; K343-H381 PolarHBondContact NZ-ND1 3.27Å; K343-H381 PolarHBondContact NZ-O 3.46Å; K343-S383 WeakPolarHBondContact CE-O 3.47Å; K343-S383 PolarHBondContact NZ-O 3.02Å; K343-V384 HydrophobicContact CD-CG1 4.04Å; K343-V384 HydrophobicContact CG-CG1 3.98Å
344	V	92.8	Very high	91.4	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.018	21%	0.209	C	C	.	.	H	α-helix	trans	-58.2	-44.5	174.3	166.9	0	0	0	0	110.4	V340 F341 T346 I347 Y348 W370 V384 V480	V340-V344 HydrophobicContact CG1-CG2 4.19Å; V340-V344 WeakPolarHBondContact O-CB 3.32Å; V340-V344 VanDerWaalsContact O-CG2 3.28Å; V340-V344 WeakPolarHBondContact O-CG2 3.33Å; V340-V344 PolarHBondContact O-N 2.7Å; F341-V344 PolarHBondContact O-N 2.88Å; V344-T346 PolarHBondContact O-N 3.09Å; V344-I347 PolarHBondContact O-N 3.46Å; V344-Y348 WeakPolarHBondContact O-CB 3.47Å; V344-Y348 PolarHBondContact O-N 3.42Å; V344-W370 HydrophobicContact CG1-CH2 4.41Å; V344-V384 HydrophobicContact CG2-CB 3.98Å; V344-V384 HydrophobicContact CG2-CG1 3.82Å; V344-V384 HydrophobicContact CG2-CG2 4.33Å; V344-V480 HydrophobicContact CG1-CG2 4.33Å
345	R	95.3	Very high	91.7	Very high	118 Å²	118	41.2 Å²	41.2	45%	0.445	20%	0.201	S	C	.	.	H	α-helix	trans	-57.8	-47.1	176.7	-175.5	-173.6	-54.3	132.8	13.5	111.9	F205 F341 D342 K343 Y348 A349	F205-R345 HydrophobicContact CE1-CB 4.02Å; F205-R345 HydrophobicContact CE1-CG 3.68Å; F205-R345 HydrophobicContact CZ-CB 3.89Å; F205-R345 HydrophobicContact CZ-CG 4.04Å; F341-R345 WeakPolarHBondContact O-CB 3.39Å; F341-R345 PolarHBondContact O-N 3.42Å; D342-R345 WeakPolarHBondContact O-CB 3.45Å; D342-R345 PolarHBondContact O-N 3.08Å; D342-R345 IonicContact OD1-CZ 3.16Å; D342-R345 IonicContact OD1-NH1 2.71Å; D342-R345 PolarHBondContact OD1-NH1 2.77Å; D342-R345 IonicContact OD1-NH2 2.72Å; D342-R345 PolarHBondContact OD1-NH2 2.81Å; K343-R345 VanDerWaalsContact C-N 3.32Å; K343-R345 PolarHBondContact O-N 3.16Å; R345-Y348 PolarHBondContact O-N 2.92Å; R345-A349 WeakPolarHBondContact O-CB 3.3Å; R345-A349 PolarHBondContact O-N 3.4Å
346	T	96.1	Very high	91.9	Very high	60 Å²	60	43.4 Å²	43.4	37%	0.368	22%	0.215	S	C	.	.	H	α-helix	trans	-65.3	-46.4	-179.5	-53.7	0	0	0	0	111.8	D342 K343 V344 Y348 A349 K350 L377 Y378	D342-T346 PolarHBondContact O-N 3.08Å; D342-T346 PolarHBondContact O-OG1 3.14Å; K343-T346 PolarHBondContact O-N 3.15Å; V344-T346 PolarHBondContact O-N 3.09Å; T346-Y348 VanDerWaalsContact C-N 3.34Å; T346-Y348 PolarHBondContact O-N 3.39Å; T346-A349 PolarHBondContact O-N 3.14Å; T346-K350 PolarHBondContact O-N 3.46Å; T346-L377 HydrophobicContact CG2-CD1 4.17Å; T346-L377 HydrophobicContact CG2-CD2 4.32Å; T346-Y378 WeakPolarHBondContact CB-OH 3.43Å; T346-Y378 HydrophobicContact CG2-CE2 4.37Å; T346-Y378 PolarHBondContact OG1-OH 3.18Å
347	I	94.8	Very high	92	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.6	-43.6	177.3	-62.8	167.2	0	0	0	110.1	K343 V344 A349 K350 Y351 W370 C373 A374 L377 Y378 V384	K343-I347 HydrophobicContact CG-CD1 3.93Å; K343-I347 WeakPolarHBondContact O-CG1 3.41Å; K343-I347 PolarHBondContact O-N 2.92Å; V344-I347 PolarHBondContact O-N 3.46Å; I347-A349 VanDerWaalsContact C-N 3.33Å; I347-A349 PolarHBondContact O-N 2.82Å; I347-K350 PolarHBondContact O-N 3.47Å; I347-Y351 WeakPolarHBondContact O-CB 3.33Å; I347-Y351 PolarHBondContact O-N 3.46Å; I347-W370 HydrophobicContact CB-CH2 4.06Å; I347-W370 HydrophobicContact CB-CZ2 4.21Å; I347-W370 HydrophobicContact CB-CZ3 4.43Å; I347-W370 HydrophobicContact CG2-CD2 3.82Å; I347-W370 HydrophobicContact CG2-CE3 3.83Å; I347-W370 HydrophobicContact CG2-CH2 3.71Å; I347-W370 HydrophobicContact CG2-CZ2 3.7Å; I347-W370 HydrophobicContact CG2-CZ3 3.78Å; I347-C373 HydrophobicContact CG2-CB 4.01Å; I347-A374 HydrophobicContact CD1-CB 3.76Å; I347-A374 HydrophobicContact CG1-CB 4.26Å; I347-A374 HydrophobicContact CG2-CB 4.25Å; I347-L377 HydrophobicContact CG1-CD1 4.23Å; I347-Y378 HydrophobicContact CD1-CD2 4.11Å; I347-Y378 HydrophobicContact CD1-CE2 4.21Å; I347-Y378 HydrophobicContact CG1-CD2 4.02Å; I347-Y378 HydrophobicContact CG1-CE2 3.85Å; I347-V384 HydrophobicContact CD1-CG1 3.68Å
348	Y	95.8	Very high	91.9	Very high	4 Å²	4	37 Å²	37	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-62	-40.2	179.9	-169.5	-79.6	0	0	0	112.1	F205 V344 R345 T346 K350 Y351 A352 W370 P478 V480 L491	F205-Y348 HydrophobicContact CB-CD1 4.22Å; F205-Y348 HydrophobicContact CB-CE1 3.89Å; F205-Y348 AromaticContact CD2-CD1 3.27Å; F205-Y348 HydrophobicContact CD2-CD1 3.27Å; F205-Y348 AromaticContact CD2-CD2 3.86Å; F205-Y348 HydrophobicContact CD2-CD2 3.86Å; F205-Y348 AromaticContact CD2-CE1 3.51Å; F205-Y348 HydrophobicContact CD2-CE1 3.51Å; F205-Y348 HydrophobicContact CD2-CE2 4.05Å; F205-Y348 AromaticContact CD2-CG 3.47Å; F205-Y348 HydrophobicContact CD2-CG 3.47Å; F205-Y348 VanDerWaalsContact CD2-CG 3.47Å; F205-Y348 AromaticContact CD2-CZ 3.89Å; F205-Y348 AromaticContact CE2-CD1 3.79Å; F205-Y348 HydrophobicContact CE2-CD1 3.79Å; F205-Y348 AromaticContact CE2-CD2 3.93Å; F205-Y348 HydrophobicContact CE2-CD2 3.93Å; F205-Y348 HydrophobicContact CE2-CE1 4.41Å; F205-Y348 AromaticContact CE2-CG 3.52Å; F205-Y348 HydrophobicContact CE2-CG 3.52Å; F205-Y348 AromaticContact CG-CD1 3.93Å; F205-Y348 HydrophobicContact CG-CD1 3.93Å; F205-Y348 HydrophobicContact CG-CE1 4.05Å; F205-Y348 HydrophobicContact CG-CG 4.49Å; V344-Y348 WeakPolarHBondContact O-CB 3.47Å; V344-Y348 PolarHBondContact O-N 3.42Å; R345-Y348 PolarHBondContact O-N 2.92Å; T346-Y348 VanDerWaalsContact C-N 3.34Å; T346-Y348 PolarHBondContact O-N 3.39Å; Y348-K350 PolarHBondContact O-N 3.2Å; Y348-Y351 HydrophobicContact CD2-CD1 4.21Å; Y348-Y351 HydrophobicContact CE2-CD1 4.26Å; Y348-Y351 CarbonylContact O-C 3.52Å; Y348-Y351 PolarHBondContact O-N 3.26Å; Y348-A352 WeakPolarHBondContact O-CB 3.45Å; Y348-A352 PolarHBondContact O-N 3.45Å; Y348-W370 HydrophobicContact CD2-CZ3 4.25Å; Y348-P478 WeakPolarHBondContact CE2-O 3.31Å; Y348-P478 VanDerWaalsContact OH-CD 3.24Å; Y348-P478 WeakPolarHBondContact OH-CD 3.25Å; Y348-P478 PolarHBondContact OH-O 3.1Å; Y348-P478 VanDerWaalsContact OH-O 3.05Å; Y348-V480 HydrophobicContact CD2-CG2 4.15Å; Y348-L491 HydrophobicContact CD2-CD2 4.37Å; Y348-L491 HydrophobicContact CE2-CD2 4.36Å
349	A	96.5	Very high	92.1	Very high	68 Å²	68	40.1 Å²	40.1	56%	0.562	21%	0.211	S	C	*	.	H	α-helix	trans	-59.4	-34.5	177.4	0	0	0	0	0	112.6	R345 T346 I347	R345-A349 WeakPolarHBondContact O-CB 3.3Å; R345-A349 PolarHBondContact O-N 3.4Å; T346-A349 PolarHBondContact O-N 3.14Å; I347-A349 VanDerWaalsContact C-N 3.33Å; I347-A349 PolarHBondContact O-N 2.82Å
350	K	96	Very high	92.2	Very high	71 Å²	71	37.3 Å²	37.3	31%	0.309	20%	0.195	S	C	.	.	H	α-helix	trans	-78.3	-43.9	172.5	-171.1	65.7	177.7	163.8	0	111.8	T346 I347 Y348 A352 E353 C373 L377	T346-K350 PolarHBondContact O-N 3.46Å; I347-K350 PolarHBondContact O-N 3.47Å; Y348-K350 PolarHBondContact O-N 3.2Å; K350-A352 PolarHBondContact O-N 2.99Å; K350-E353 WeakPolarHBondContact CD-OE2 3.3Å; K350-E353 WeakPolarHBondContact CE-OE2 3.49Å; K350-E353 IonicContact NZ-OE1 3.63Å; K350-E353 PolarHBondContact NZ-OE1 2.85Å; K350-E353 IonicContact NZ-OE2 3.3Å; K350-E353 PolarHBondContact NZ-OE2 3.46Å; K350-E353 VanDerWaalsContact O-CB 3.29Å; K350-E353 WeakPolarHBondContact O-CB 3.26Å; K350-E353 WeakPolarHBondContact O-CG 3.42Å; K350-E353 PolarHBondContact O-N 3.46Å; K350-C373 HydrophobicContact CB-CB 4.22Å; K350-C373 HydrophobicContact CG-CB 4.09Å; K350-C373 VanDerWaalsContact CG-SG 3.51Å; K350-L377 HydrophobicContact CB-CD1 4.04Å
351	Y	94.8	Very high	92	Very high	4 Å²	4	37 Å²	37	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-57	-30.8	176.3	173.4	-113.3	0	0	0	112.9	I347 Y348 E353 F354 F355 H366 F369 W370 P481	I347-Y351 WeakPolarHBondContact O-CB 3.33Å; I347-Y351 PolarHBondContact O-N 3.46Å; Y348-Y351 HydrophobicContact CD2-CD1 4.21Å; Y348-Y351 HydrophobicContact CE2-CD1 4.26Å; Y348-Y351 CarbonylContact O-C 3.52Å; Y348-Y351 PolarHBondContact O-N 3.26Å; Y351-E353 PolarHBondContact O-N 3.5Å; Y351-F354 HydrophobicContact CD2-CB 4.45Å; Y351-F354 HydrophobicContact CE2-CB 4.3Å; Y351-F354 HydrophobicContact CE2-CG 4.42Å; Y351-F354 WeakPolarHBondContact O-CB 3.24Å; Y351-F354 PolarHBondContact O-N 3.02Å; Y351-F355 HydrophobicContact CD1-CE2 4.23Å; Y351-F355 AromaticContact CE1-CE2 3.57Å; Y351-F355 HydrophobicContact CE1-CE2 3.57Å; Y351-F355 HydrophobicContact CE1-CZ 4.15Å; Y351-F355 AromaticContact CZ-CE2 3.73Å; Y351-H366 HydrophobicContact CE2-CB 4.47Å; Y351-H366 AromaticContact CZ-ND1 3.91Å; Y351-H366 PolarHBondContact OH-ND1 2.96Å; Y351-F369 AromaticContact CD2-CD1 3.79Å; Y351-F369 HydrophobicContact CD2-CD1 3.79Å; Y351-F369 HydrophobicContact CD2-CE1 4.48Å; Y351-F369 HydrophobicContact CE2-CD1 4.42Å; Y351-W370 AromaticContact CD1-CE3 3.98Å; Y351-W370 HydrophobicContact CD1-CE3 3.98Å; Y351-W370 HydrophobicContact CD1-CZ3 4.2Å; Y351-W370 HydrophobicContact CD2-CB 4.29Å; Y351-W370 HydrophobicContact CD2-CE3 4.15Å; Y351-W370 AromaticContact CG-CE3 3.75Å; Y351-W370 HydrophobicContact CG-CE3 3.75Å; Y351-W370 HydrophobicContact CG-CZ3 4.27Å; Y351-P481 HydrophobicContact CE2-CG 4.18Å
352	A	94.9	Very high	91.7	Very high	8 Å²	8	38.8 Å²	38.8	7%	0.066	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-55.5	-23.9	175.4	0	0	0	0	0	113.5	L201 Y348 K350 F354 F355	L201-A352 HydrophobicContact CB-CB 4.33Å; L201-A352 HydrophobicContact CD1-CB 3.97Å; Y348-A352 WeakPolarHBondContact O-CB 3.45Å; Y348-A352 PolarHBondContact O-N 3.45Å; K350-A352 PolarHBondContact O-N 2.99Å; A352-F354 PolarHBondContact O-N 3.39Å; A352-F355 PolarHBondContact O-N 3.44Å
353	E	94.1	Very high	91.3	Very high	35 Å²	35	41.5 Å²	41.5	16%	0.164	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-61.8	-27.4	174.3	-63.6	179.5	167.9	0	0	112.4	K198 K350 Y351 F355 V356 D357 I360 F369	K198-E353 IonicContact NZ-OE1 3.18Å; K198-E353 PolarHBondContact NZ-OE1 3.5Å; K350-E353 WeakPolarHBondContact CD-OE2 3.3Å; K350-E353 WeakPolarHBondContact CE-OE2 3.49Å; K350-E353 IonicContact NZ-OE1 3.63Å; K350-E353 PolarHBondContact NZ-OE1 2.85Å; K350-E353 IonicContact NZ-OE2 3.3Å; K350-E353 PolarHBondContact NZ-OE2 3.46Å; K350-E353 VanDerWaalsContact O-CB 3.29Å; K350-E353 WeakPolarHBondContact O-CB 3.26Å; K350-E353 WeakPolarHBondContact O-CG 3.42Å; K350-E353 PolarHBondContact O-N 3.46Å; Y351-E353 PolarHBondContact O-N 3.5Å; E353-F355 PolarHBondContact O-N 2.98Å; E353-F355 VanDerWaalsContact O-N 3.14Å; E353-V356 PolarHBondContact O-N 3.18Å; E353-V356 VanDerWaalsContact O-N 3.08Å; E353-D357 WeakPolarHBondContact O-CB 3.41Å; E353-D357 PolarHBondContact O-N 2.98Å; E353-I360 HydrophobicContact CB-CD1 3.74Å; E353-F369 HydrophobicContact CB-CE1 4.42Å; E353-F369 HydrophobicContact CB-CZ 4.33Å
354	F	92.5	Very high	91.1	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.018	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-55.1	-32.7	174.5	-171.8	-86.6	0	0	0	113.7	Y351 A352 I360 Y364 H366 F369	Y351-F354 HydrophobicContact CD2-CB 4.45Å; Y351-F354 HydrophobicContact CE2-CB 4.3Å; Y351-F354 HydrophobicContact CE2-CG 4.42Å; Y351-F354 WeakPolarHBondContact O-CB 3.24Å; Y351-F354 PolarHBondContact O-N 3.02Å; A352-F354 PolarHBondContact O-N 3.39Å; F354-I360 HydrophobicContact CB-CG2 4.38Å; F354-I360 HydrophobicContact CD2-CG2 3.97Å; F354-Y364 VanDerWaalsContact CE2-O 3.3Å; F354-Y364 WeakPolarHBondContact CE2-O 3.31Å; F354-H366 AromaticContact CD1-CE1 3.68Å; F354-H366 AromaticContact CD1-ND1 3.68Å; F354-H366 AromaticContact CE1-CE1 3.12Å; F354-H366 WeakPolarHBondContact CE1-CE1 3.18Å; F354-H366 AromaticContact CE1-ND1 3.36Å; F354-H366 WeakPolarHBondContact CE1-ND1 3.44Å; F354-H366 AromaticContact CE1-NE2 3.79Å; F354-H366 AromaticContact CZ-CE1 3.77Å; F354-H366 AromaticContact CZ-ND1 3.75Å; F354-F369 HydrophobicContact CB-CD1 3.7Å; F354-F369 HydrophobicContact CB-CE1 3.96Å; F354-F369 HydrophobicContact CD2-CB 3.95Å; F354-F369 AromaticContact CD2-CD1 3.9Å; F354-F369 HydrophobicContact CD2-CD1 3.9Å; F354-F369 HydrophobicContact CD2-CG 4.1Å; F354-F369 HydrophobicContact CE2-CB 4.48Å; F354-F369 HydrophobicContact CG-CD1 4.28Å
355	F	92.6	Very high	91	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.009	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-92.1	-6.7	-176	-62.3	-85.1	0	0	0	113.1	H192 F196 L201 Y351 A352 E353 H366 P478	H192-F355 HydrophobicContact CB-CB 4.39Å; H192-F355 HydrophobicContact CB-CD1 4.15Å; H192-F355 AromaticContact CD2-CD1 3.64Å; H192-F355 AromaticContact CE1-CE1 3.99Å; H192-F355 AromaticContact CG-CD1 3.62Å; H192-F355 AromaticContact ND1-CD1 3.92Å; H192-F355 AromaticContact NE2-CD1 3.96Å; H192-F355 AromaticContact NE2-CE1 3.85Å; F196-F355 HydrophobicContact CD2-CB 4.37Å; L201-F355 HydrophobicContact CD1-CB 3.99Å; Y351-F355 HydrophobicContact CD1-CE2 4.23Å; Y351-F355 AromaticContact CE1-CE2 3.57Å; Y351-F355 HydrophobicContact CE1-CE2 3.57Å; Y351-F355 HydrophobicContact CE1-CZ 4.15Å; Y351-F355 AromaticContact CZ-CE2 3.73Å; A352-F355 PolarHBondContact O-N 3.44Å; E353-F355 PolarHBondContact O-N 2.98Å; E353-F355 VanDerWaalsContact O-N 3.14Å; F355-H366 AromaticContact CZ-CE1 3.96Å; F355-P478 HydrophobicContact CD1-CG 4.25Å; F355-P478 HydrophobicContact CD2-CB 4.4Å; F355-P478 HydrophobicContact CD2-CG 4.19Å; F355-P478 HydrophobicContact CE1-CB 3.95Å; F355-P478 HydrophobicContact CE1-CG 4.01Å; F355-P478 HydrophobicContact CE2-CB 3.65Å; F355-P478 HydrophobicContact CE2-CG 3.92Å; F355-P478 HydrophobicContact CG-CG 4.35Å; F355-P478 HydrophobicContact CZ-CB 3.4Å; F355-P478 HydrophobicContact CZ-CG 3.85Å
356	V	91.2	Very high	90.8	Very high	55 Å²	55	40.6 Å²	40.6	33%	0.333	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.8	-36	-175	-178.4	0	0	0	0	111	L201 E353	L201-V356 HydrophobicContact CD1-CG2 3.86Å; E353-V356 PolarHBondContact O-N 3.18Å; E353-V356 VanDerWaalsContact O-N 3.08Å
357	D	89	Confident	90.6	Very high	69 Å²	69	38.1 Å²	38.1	37%	0.369	20%	0.198	S	C	.	.			trans	-101.7	113.8	-178.4	-172.1	-16.7	0	0	0	110.5	E353 E359 I360 S361	E353-D357 WeakPolarHBondContact O-CB 3.41Å; E353-D357 PolarHBondContact O-N 2.98Å; D357-E359 VanDerWaalsContact C-N 3.33Å; D357-E359 PolarHBondContact O-N 3.12Å; D357-E359 WeakPolarHBondContact OD1-CB 3.46Å; D357-E359 PolarHBondContact OD1-N 3.37Å; D357-I360 HydrophobicContact CB-CB 4.34Å; D357-I360 HydrophobicContact CB-CD1 3.86Å; D357-I360 HydrophobicContact CB-CG1 4.1Å; D357-I360 PolarHBondContact O-N 2.82Å; D357-S361 PolarHBondContact O-N 3.34Å
358	N	83.9	Confident	90.4	Very high	62 Å²	62	41.2 Å²	41.2	33%	0.332	21%	0.212	S	C	.	.	H	α-helix	trans	-65.5	-36.1	-178.5	-68.4	-25.2	0	0	0	112	N190 I360 S361 V362	N190-N358 PolarHBondContact ND2-OD1 2.87Å; N358-I360 VanDerWaalsContact C-N 3.29Å; N358-I360 PolarHBondContact O-N 3.2Å; N358-S361 PolarHBondContact O-N 3.06Å; N358-S361 PolarHBondContact O-OG 2.58Å; N358-V362 WeakPolarHBondContact O-CG2 3.35Å; N358-V362 PolarHBondContact O-N 3.12Å; N358-V362 VanDerWaalsContact O-N 3.1Å
359	E	86	Confident	90.2	Very high	124 Å²	124	41.3 Å²	41.3	58%	0.579	21%	0.213	S	C	*	.	H	α-helix	trans	-60.8	-41.6	-179.3	-67.7	-62.9	143.9	0	0	110.9	D357 S361 V362 H363	D357-E359 VanDerWaalsContact C-N 3.33Å; D357-E359 PolarHBondContact O-N 3.12Å; D357-E359 WeakPolarHBondContact OD1-CB 3.46Å; D357-E359 PolarHBondContact OD1-N 3.37Å; E359-S361 PolarHBondContact O-N 3.12Å; E359-V362 PolarHBondContact O-N 2.96Å; E359-H363 PolarHBondContact O-CD2 3.07Å; E359-H363 PolarHBondContact O-N 2.59Å; E359-H363 IonicContact OE2-NE2 2.68Å
360	I	88.6	Confident	90	Very high	22 Å²	22	38.1 Å²	38.1	11%	0.113	19%	0.186	C	C	.	.	H	α-helix	trans	-60.9	-47.5	177.3	-68.7	176.5	0	0	0	110.9	E353 F354 D357 N358 V362 H363 Y364 F369	E353-I360 HydrophobicContact CB-CD1 3.74Å; F354-I360 HydrophobicContact CB-CG2 4.38Å; F354-I360 HydrophobicContact CD2-CG2 3.97Å; D357-I360 HydrophobicContact CB-CB 4.34Å; D357-I360 HydrophobicContact CB-CD1 3.86Å; D357-I360 HydrophobicContact CB-CG1 4.1Å; D357-I360 PolarHBondContact O-N 2.82Å; N358-I360 VanDerWaalsContact C-N 3.29Å; N358-I360 PolarHBondContact O-N 3.2Å; I360-V362 VanDerWaalsContact C-N 3.25Å; I360-V362 PolarHBondContact O-N 3.45Å; I360-H363 PolarHBondContact O-N 3.08Å; I360-Y364 HydrophobicContact CG2-CD2 4.45Å; I360-Y364 PolarHBondContact O-N 3.35Å; I360-F369 HydrophobicContact CD1-CE1 4.48Å; I360-F369 HydrophobicContact CD1-CE2 4Å; I360-F369 HydrophobicContact CD1-CZ 3.7Å; I360-F369 HydrophobicContact CG1-CE2 4.3Å; I360-F369 HydrophobicContact CG1-CZ 4.42Å; I360-F369 HydrophobicContact CG2-CD1 3.85Å; I360-F369 HydrophobicContact CG2-CD2 3.49Å; I360-F369 VanDerWaalsContact CG2-CD2 3.49Å; I360-F369 HydrophobicContact CG2-CE1 3.77Å; I360-F369 HydrophobicContact CG2-CE2 3.44Å; I360-F369 VanDerWaalsContact CG2-CE2 3.44Å; I360-F369 HydrophobicContact CG2-CG 3.72Å; I360-F369 HydrophobicContact CG2-CZ 3.6Å
361	S	84.6	Confident	89.6	Confident	3 Å²	3	36.6 Å²	36.6	2%	0.021	18%	0.18	C	C	.	.	H	α-helix	trans	-68.4	-23.9	-176.9	76.7	0	0	0	0	113.6	R187 N190 D357 N358 E359	R187-S361 PolarHBondContact NH1-O 3.24Å; R187-S361 PolarHBondContact NH2-O 3.07Å; N190-S361 PolarHBondContact ND2-OG 2.68Å; D357-S361 PolarHBondContact O-N 3.34Å; N358-S361 PolarHBondContact O-N 3.06Å; N358-S361 PolarHBondContact O-OG 2.58Å; E359-S361 PolarHBondContact O-N 3.12Å
362	V	83.6	Confident	89.4	Confident	41 Å²	41	37.1 Å²	37.1	25%	0.248	18%	0.183	C	C	.	.	H	α-helix	trans	-74.7	-42.2	176	169.1	0	0	0	0	110.5	R187 N358 E359 I360	R187-V362 HydrophobicContact CB-CG2 4.36Å; R187-V362 HydrophobicContact CG-CG2 4.37Å; N358-V362 WeakPolarHBondContact O-CG2 3.35Å; N358-V362 PolarHBondContact O-N 3.12Å; N358-V362 VanDerWaalsContact O-N 3.1Å; E359-V362 PolarHBondContact O-N 2.96Å; I360-V362 VanDerWaalsContact C-N 3.25Å; I360-V362 PolarHBondContact O-N 3.45Å
363	H	83.8	Confident	89.3	Confident	108 Å²	108	36.7 Å²	36.7	50%	0.5	18%	0.18	S	C	.	.	H	α-helix	trans	-85.7	-27.3	-175	-71.7	-57.5	0	0	0	114.8	E359 I360	E359-H363 PolarHBondContact O-CD2 3.07Å; E359-H363 PolarHBondContact O-N 2.59Å; E359-H363 IonicContact OE2-NE2 2.68Å; I360-H363 PolarHBondContact O-N 3.08Å
364	Y	87.1	Confident	89.1	Confident	89 Å²	89	35.1 Å²	35.1	35%	0.349	17%	0.173	S	C	.	.			trans	-127.8	148.8	-174.8	-56.8	-77.1	0	0	0	111.3	F354 I360 Q368 F369 L372	F354-Y364 VanDerWaalsContact CE2-O 3.3Å; F354-Y364 WeakPolarHBondContact CE2-O 3.31Å; I360-Y364 HydrophobicContact CG2-CD2 4.45Å; I360-Y364 PolarHBondContact O-N 3.35Å; Y364-Q368 HydrophobicContact CD1-CB 4.22Å; Y364-F369 HydrophobicContact CD2-CD2 4.11Å; Y364-F369 HydrophobicContact CG-CB 4.47Å; Y364-F369 HydrophobicContact CG-CD2 4.37Å; Y364-L372 HydrophobicContact CE1-CD2 4.11Å; Y364-L372 HydrophobicContact CE2-CD2 4.14Å
365	N	89.3	Confident	88.8	Confident	17 Å²	17	35 Å²	35	9%	0.091	17%	0.172	C	C	.	.			trans	-86.8	171.3	160.8	76.3	29	0	0	0	111	R367 Q368 F369 D525	N365-R367 PolarHBondContact O-N 3.27Å; N365-R367 PolarHBondContact OD1-N 2.98Å; N365-R367 VanDerWaalsContact OD1-N 3.13Å; N365-Q368 VanDerWaalsContact CG-OE1 3.27Å; N365-Q368 PolarHBondContact O-N 3.31Å; N365-Q368 WeakPolarHBondContact OD1-CB 3.49Å; N365-Q368 VanDerWaalsContact OD1-CG 3.3Å; N365-Q368 WeakPolarHBondContact OD1-CG 3.44Å; N365-Q368 PolarHBondContact OD1-N 2.99Å; N365-F369 PolarHBondContact O-N 3.41Å; N365-D525 VanDerWaalsContact ND2-CG 3.3Å; N365-D525 PolarHBondContact ND2-OD2 2.67Å
366	H	92.2	Very high	88.7	Confident	7 Å²	7	39.6 Å²	39.6	3%	0.032	19%	0.194	C	C	.	.	H	α-helix	trans	-55.5	-45.4	-176.4	-65.6	-77.1	0	0	0	113.6	Y351 F354 F355 W370 P481 N528	Y351-H366 HydrophobicContact CE2-CB 4.47Å; Y351-H366 AromaticContact CZ-ND1 3.91Å; Y351-H366 PolarHBondContact OH-ND1 2.96Å; F354-H366 AromaticContact CD1-CE1 3.68Å; F354-H366 AromaticContact CD1-ND1 3.68Å; F354-H366 AromaticContact CE1-CE1 3.12Å; F354-H366 WeakPolarHBondContact CE1-CE1 3.18Å; F354-H366 AromaticContact CE1-ND1 3.36Å; F354-H366 WeakPolarHBondContact CE1-ND1 3.44Å; F354-H366 AromaticContact CE1-NE2 3.79Å; F354-H366 AromaticContact CZ-CE1 3.77Å; F354-H366 AromaticContact CZ-ND1 3.75Å; F355-H366 AromaticContact CZ-CE1 3.96Å; H366-W370 VanDerWaalsContact O-CB 3.3Å; H366-W370 WeakPolarHBondContact O-CB 3.49Å; H366-W370 PolarHBondContact O-N 3.13Å; H366-P481 HydrophobicContact CB-CB 3.91Å; H366-P481 HydrophobicContact CB-CG 4.35Å; H366-N528 HydrophobicContact CB-CB 4.07Å
367	R	91.8	Very high	88.7	Confident	7 Å²	7	40.3 Å²	40.3	3%	0.026	20%	0.195	C	C	.	.	H	α-helix	trans	-64.8	-49.2	179.7	172.7	-174.2	56.1	84.9	-6.5	110.8	N170 N365 F369 W370 Q371 H483 D525	N170-R367 PolarHBondContact ND2-NH1 3.38Å; N170-R367 VanDerWaalsContact ND2-NH1 3.16Å; N365-R367 PolarHBondContact O-N 3.27Å; N365-R367 PolarHBondContact OD1-N 2.98Å; N365-R367 VanDerWaalsContact OD1-N 3.13Å; R367-F369 VanDerWaalsContact C-N 3.35Å; R367-F369 PolarHBondContact O-N 3.49Å; R367-W370 PolarHBondContact O-N 2.86Å; R367-Q371 HydrophobicContact CG-CG 4.38Å; R367-Q371 VanDerWaalsContact NH1-OE1 3.11Å; R367-Q371 WeakPolarHBondContact O-CB 3.33Å; R367-Q371 VanDerWaalsContact O-CG 3.29Å; R367-Q371 WeakPolarHBondContact O-CG 3.48Å; R367-Q371 PolarHBondContact O-N 3.13Å; R367-H483 HydrophobicContact CG-CB 4.23Å; R367-D525 WeakPolarHBondContact CB-OD1 3.38Å; R367-D525 WeakPolarHBondContact CD-OD1 3.43Å; R367-D525 IonicContact CZ-OD1 3.93Å; R367-D525 IonicContact CZ-OD2 3.87Å; R367-D525 IonicContact NE-OD1 3.14Å; R367-D525 PolarHBondContact NE-OD1 2.71Å; R367-D525 IonicContact NE-OD2 2.67Å; R367-D525 PolarHBondContact NE-OD2 2.96Å; R367-D525 VanDerWaalsContact NE-OD2 3.14Å; R367-D525 IonicContact NH2-OD1 3.79Å; R367-D525 IonicContact NH2-OD2 3.37Å; R367-D525 PolarHBondContact NH2-OD2 3.33Å
368	Q	89.4	Confident	88.5	Confident	65 Å²	65	39.7 Å²	39.7	30%	0.304	19%	0.188	S	C	.	.	H	α-helix	trans	-59.3	-47.2	-179.1	-72.1	168.9	-33.3	0	0	110.7	Y364 N365 Q371 L372	Y364-Q368 HydrophobicContact CD1-CB 4.22Å; N365-Q368 VanDerWaalsContact CG-OE1 3.27Å; N365-Q368 PolarHBondContact O-N 3.31Å; N365-Q368 WeakPolarHBondContact OD1-CB 3.49Å; N365-Q368 VanDerWaalsContact OD1-CG 3.3Å; N365-Q368 WeakPolarHBondContact OD1-CG 3.44Å; N365-Q368 PolarHBondContact OD1-N 2.99Å; Q368-Q371 PolarHBondContact O-N 2.82Å; Q368-L372 WeakPolarHBondContact O-CB 3.47Å; Q368-L372 PolarHBondContact O-N 2.91Å
369	F	91.8	Very high	88.1	Confident	7 Å²	7	39 Å²	39	3%	0.031	19%	0.187	C	C	.	.	H	α-helix	trans	-68.2	-38.3	-179.9	-169.1	-118.4	0	0	0	112.3	Y351 E353 F354 I360 Y364 N365 R367 L372 C373	Y351-F369 AromaticContact CD2-CD1 3.79Å; Y351-F369 HydrophobicContact CD2-CD1 3.79Å; Y351-F369 HydrophobicContact CD2-CE1 4.48Å; Y351-F369 HydrophobicContact CE2-CD1 4.42Å; E353-F369 HydrophobicContact CB-CE1 4.42Å; E353-F369 HydrophobicContact CB-CZ 4.33Å; F354-F369 HydrophobicContact CB-CD1 3.7Å; F354-F369 HydrophobicContact CB-CE1 3.96Å; F354-F369 HydrophobicContact CD2-CB 3.95Å; F354-F369 AromaticContact CD2-CD1 3.9Å; F354-F369 HydrophobicContact CD2-CD1 3.9Å; F354-F369 HydrophobicContact CD2-CG 4.1Å; F354-F369 HydrophobicContact CE2-CB 4.48Å; F354-F369 HydrophobicContact CG-CD1 4.28Å; I360-F369 HydrophobicContact CD1-CE1 4.48Å; I360-F369 HydrophobicContact CD1-CE2 4Å; I360-F369 HydrophobicContact CD1-CZ 3.7Å; I360-F369 HydrophobicContact CG1-CE2 4.3Å; I360-F369 HydrophobicContact CG1-CZ 4.42Å; I360-F369 HydrophobicContact CG2-CD1 3.85Å; I360-F369 HydrophobicContact CG2-CD2 3.49Å; I360-F369 VanDerWaalsContact CG2-CD2 3.49Å; I360-F369 HydrophobicContact CG2-CE1 3.77Å; I360-F369 HydrophobicContact CG2-CE2 3.44Å; I360-F369 VanDerWaalsContact CG2-CE2 3.44Å; I360-F369 HydrophobicContact CG2-CG 3.72Å; I360-F369 HydrophobicContact CG2-CZ 3.6Å; Y364-F369 HydrophobicContact CD2-CD2 4.11Å; Y364-F369 HydrophobicContact CG-CB 4.47Å; Y364-F369 HydrophobicContact CG-CD2 4.37Å; N365-F369 PolarHBondContact O-N 3.41Å; R367-F369 VanDerWaalsContact C-N 3.35Å; R367-F369 PolarHBondContact O-N 3.49Å; F369-L372 HydrophobicContact CD2-CD2 4.09Å; F369-L372 HydrophobicContact CE2-CD2 4.3Å; F369-L372 PolarHBondContact O-N 3.33Å; F369-C373 WeakPolarHBondContact O-CB 3.44Å; F369-C373 PolarHBondContact O-N 3.07Å; F369-C373 PolarHBondContact O-SG 2.96Å
370	W	92.2	Very high	87.5	Confident	1 Å²	1	38.7 Å²	38.7	0%	0.004	19%	0.189	C	C	.	.	H	α-helix	trans	-60.4	-47.9	172.3	176.9	-88.3	0	0	0	112.1	V344 I347 Y348 Y351 H366 R367 L372 C373 A374 V384 V480 P481 H483	V344-W370 HydrophobicContact CG1-CH2 4.41Å; I347-W370 HydrophobicContact CB-CH2 4.06Å; I347-W370 HydrophobicContact CB-CZ2 4.21Å; I347-W370 HydrophobicContact CB-CZ3 4.43Å; I347-W370 HydrophobicContact CG2-CD2 3.82Å; I347-W370 HydrophobicContact CG2-CE3 3.83Å; I347-W370 HydrophobicContact CG2-CH2 3.71Å; I347-W370 HydrophobicContact CG2-CZ2 3.7Å; I347-W370 HydrophobicContact CG2-CZ3 3.78Å; Y348-W370 HydrophobicContact CD2-CZ3 4.25Å; Y351-W370 AromaticContact CD1-CE3 3.98Å; Y351-W370 HydrophobicContact CD1-CE3 3.98Å; Y351-W370 HydrophobicContact CD1-CZ3 4.2Å; Y351-W370 HydrophobicContact CD2-CB 4.29Å; Y351-W370 HydrophobicContact CD2-CE3 4.15Å; Y351-W370 AromaticContact CG-CE3 3.75Å; Y351-W370 HydrophobicContact CG-CE3 3.75Å; Y351-W370 HydrophobicContact CG-CZ3 4.27Å; H366-W370 VanDerWaalsContact O-CB 3.3Å; H366-W370 WeakPolarHBondContact O-CB 3.49Å; H366-W370 PolarHBondContact O-N 3.13Å; R367-W370 PolarHBondContact O-N 2.86Å; W370-L372 VanDerWaalsContact C-N 3.34Å; W370-L372 PolarHBondContact O-N 3.43Å; W370-C373 PolarHBondContact O-N 3.31Å; W370-A374 WeakPolarHBondContact O-CB 3.38Å; W370-A374 PolarHBondContact O-N 3.28Å; W370-V384 HydrophobicContact CZ2-CG2 4.18Å; W370-V480 HydrophobicContact CD2-CG1 4.39Å; W370-V480 HydrophobicContact CE3-CG1 4.36Å; W370-V480 HydrophobicContact CH2-CB 4.43Å; W370-V480 HydrophobicContact CH2-CG1 3.69Å; W370-V480 HydrophobicContact CH2-CG2 3.92Å; W370-V480 HydrophobicContact CZ2-CG1 3.69Å; W370-V480 HydrophobicContact CZ3-CG1 4.03Å; W370-V480 HydrophobicContact CZ3-CG2 4.12Å; W370-P481 HydrophobicContact CB-CG 3.54Å; W370-P481 HydrophobicContact CD2-CG 4.07Å; W370-P481 HydrophobicContact CE3-CG 4.17Å; W370-P481 HydrophobicContact CG-CG 3.81Å; W370-H483 AromaticContact CD1-CG 3.65Å; W370-H483 AromaticContact CD1-ND1 3.68Å; W370-H483 AromaticContact NE1-CD2 3.87Å; W370-H483 AromaticContact NE1-CE1 3.44Å; W370-H483 PolarHBondContact NE1-CE1 3.17Å; W370-H483 AromaticContact NE1-CG 3.7Å; W370-H483 AromaticContact NE1-ND1 3.43Å; W370-H483 PolarHBondContact NE1-ND1 3.42Å; W370-H483 AromaticContact NE1-NE2 3.72Å
371	Q	88.9	Confident	86.9	Confident	39 Å²	39	38.5 Å²	38.5	18%	0.182	19%	0.188	C	C	.	.	H	α-helix	trans	-60.4	-45	177	-73.6	174.8	-34.6	0	0	110.5	R367 Q368 C373 A374 C375 H483	R367-Q371 HydrophobicContact CG-CG 4.38Å; R367-Q371 VanDerWaalsContact NH1-OE1 3.11Å; R367-Q371 WeakPolarHBondContact O-CB 3.33Å; R367-Q371 VanDerWaalsContact O-CG 3.29Å; R367-Q371 WeakPolarHBondContact O-CG 3.48Å; R367-Q371 PolarHBondContact O-N 3.13Å; Q368-Q371 PolarHBondContact O-N 2.82Å; Q371-C373 PolarHBondContact O-N 2.87Å; Q371-A374 PolarHBondContact O-N 2.93Å; Q371-C375 PolarHBondContact O-N 3.47Å; Q371-C375 PolarHBondContact O-SG 3.17Å; Q371-H483 HydrophobicContact CG-CB 4.35Å
372	L	89.3	Confident	86.6	Confident	14 Å²	14	39.8 Å²	39.8	7%	0.073	20%	0.196	C	C	.	.	H	α-helix	trans	-56.4	-51.8	174.7	178.2	63.1	0	0	0	112.2	F168 Y364 Q368 F369 W370 A374 C375 Q376	F168-L372 HydrophobicContact CD1-CD1 4.31Å; F168-L372 HydrophobicContact CE1-CD1 3.24Å; F168-L372 HydrophobicContact CE2-CD1 4.32Å; F168-L372 HydrophobicContact CZ-CD1 3.24Å; Y364-L372 HydrophobicContact CE1-CD2 4.11Å; Y364-L372 HydrophobicContact CE2-CD2 4.14Å; Q368-L372 WeakPolarHBondContact O-CB 3.47Å; Q368-L372 PolarHBondContact O-N 2.91Å; F369-L372 HydrophobicContact CD2-CD2 4.09Å; F369-L372 HydrophobicContact CE2-CD2 4.3Å; F369-L372 PolarHBondContact O-N 3.33Å; W370-L372 VanDerWaalsContact C-N 3.34Å; W370-L372 PolarHBondContact O-N 3.43Å; L372-A374 VanDerWaalsContact C-N 3.26Å; L372-A374 PolarHBondContact O-N 3.02Å; L372-C375 PolarHBondContact O-N 2.67Å; L372-Q376 HydrophobicContact CD1-CG 4.18Å; L372-Q376 WeakPolarHBondContact O-CB 3.43Å; L372-Q376 WeakPolarHBondContact O-CG 3Å; L372-Q376 PolarHBondContact O-N 3.2Å
373	C	93	Very high	86.3	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-55.3	-45.9	177.1	-67.4	0	0	0	0	110.8	I347 K350 F369 W370 Q371 Q376 L377	I347-C373 HydrophobicContact CG2-CB 4.01Å; K350-C373 HydrophobicContact CB-CB 4.22Å; K350-C373 HydrophobicContact CG-CB 4.09Å; K350-C373 VanDerWaalsContact CG-SG 3.51Å; F369-C373 WeakPolarHBondContact O-CB 3.44Å; F369-C373 PolarHBondContact O-N 3.07Å; F369-C373 PolarHBondContact O-SG 2.96Å; W370-C373 PolarHBondContact O-N 3.31Å; Q371-C373 PolarHBondContact O-N 2.87Å; C373-Q376 PolarHBondContact O-N 3.01Å; C373-L377 WeakPolarHBondContact O-CB 3.45Å; C373-L377 WeakPolarHBondContact O-CD1 3.48Å; C373-L377 VanDerWaalsContact O-CG 3.27Å; C373-L377 WeakPolarHBondContact O-CG 3.4Å; C373-L377 PolarHBondContact O-N 3.4Å
374	A	90.2	Very high	86.2	Confident	1 Å²	1	34 Å²	34	1%	0.008	17%	0.17	C	C	.	.	H	α-helix	trans	-66	-39.9	-178.2	0	0	0	0	0	112.5	I347 W370 Q371 L372 Y378 P382	I347-A374 HydrophobicContact CD1-CB 3.76Å; I347-A374 HydrophobicContact CG1-CB 4.26Å; I347-A374 HydrophobicContact CG2-CB 4.25Å; W370-A374 WeakPolarHBondContact O-CB 3.38Å; W370-A374 PolarHBondContact O-N 3.28Å; Q371-A374 PolarHBondContact O-N 2.93Å; L372-A374 VanDerWaalsContact C-N 3.26Å; L372-A374 PolarHBondContact O-N 3.02Å; A374-Y378 CarbonylContact O-C 3.59Å; A374-Y378 WeakPolarHBondContact O-CA 3.33Å; A374-Y378 WeakPolarHBondContact O-CB 3.39Å; A374-Y378 PolarHBondContact O-N 2.91Å; A374-P382 HydrophobicContact CB-CB 3.89Å; A374-P382 WeakPolarHBondContact CB-O 3.26Å
375	C	86.7	Confident	85.8	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.007	16%	0.155	C	C	.	.	H	α-helix	trans	-72.5	-34.4	177.8	-48.8	0	0	0	0	111.8	H164 C167 Q371 L372 P379 P382	H164-C375 PolarHBondContact CE1-O 3.38Å; C167-C375 HydrophobicContact CB-CB 3.88Å; C167-C375 WeakPolarHBondContact CB-SG 3.23Å; C167-C375 WeakPolarHBondContact SG-CB 3.29Å; C167-C375 CovalentContact SG-SG 2.04Å; C167-C375 PolarHBondContact SG-SG 3.37Å; Q371-C375 PolarHBondContact O-N 3.47Å; Q371-C375 PolarHBondContact O-SG 3.17Å; L372-C375 PolarHBondContact O-N 2.67Å; C375-P379 WeakPolarHBondContact O-CA 3.47Å; C375-P382 HydrophobicContact CB-CB 4.17Å; C375-P382 WeakPolarHBondContact SG-CB 3.39Å
376	Q	89.6	Confident	85	Confident	100 Å²	100	30.4 Å²	30.4	47%	0.467	16%	0.158	S	C	.	.	H	α-helix	trans	-66.6	-42.9	173.7	-74.2	177.7	-9.1	0	0	112.7	L372 C373	L372-Q376 HydrophobicContact CD1-CG 4.18Å; L372-Q376 WeakPolarHBondContact O-CB 3.43Å; L372-Q376 WeakPolarHBondContact O-CG 3Å; L372-Q376 PolarHBondContact O-N 3.2Å; C373-Q376 PolarHBondContact O-N 3.01Å
377	L	90.9	Very high	83.8	Confident	69 Å²	69	31.3 Å²	31.3	36%	0.361	17%	0.168	S	C	.	.	H	α-helix	trans	-81.8	-32	-176.4	-68.2	165.3	0	0	0	112.9	T346 I347 K350 C373	T346-L377 HydrophobicContact CG2-CD1 4.17Å; T346-L377 HydrophobicContact CG2-CD2 4.32Å; I347-L377 HydrophobicContact CG1-CD1 4.23Å; K350-L377 HydrophobicContact CB-CD1 4.04Å; C373-L377 WeakPolarHBondContact O-CB 3.45Å; C373-L377 WeakPolarHBondContact O-CD1 3.48Å; C373-L377 VanDerWaalsContact O-CG 3.27Å; C373-L377 WeakPolarHBondContact O-CG 3.4Å; C373-L377 PolarHBondContact O-N 3.4Å
378	Y	85	Confident	82.4	Confident	57 Å²	57	34.8 Å²	34.8	22%	0.224	19%	0.192	C	C	.	.			trans	-135.8	67.8	-175.4	-58.7	-82.9	0	0	0	110.7	K343 T346 I347 A374 D380 H381 P382	K343-Y378 HydrophobicContact CG-CD2 4.03Å; K343-Y378 HydrophobicContact CG-CE1 4.24Å; K343-Y378 HydrophobicContact CG-CE2 3.65Å; K343-Y378 HydrophobicContact CG-CG 4.48Å; T346-Y378 WeakPolarHBondContact CB-OH 3.43Å; T346-Y378 HydrophobicContact CG2-CE2 4.37Å; T346-Y378 PolarHBondContact OG1-OH 3.18Å; I347-Y378 HydrophobicContact CD1-CD2 4.11Å; I347-Y378 HydrophobicContact CD1-CE2 4.21Å; I347-Y378 HydrophobicContact CG1-CD2 4.02Å; I347-Y378 HydrophobicContact CG1-CE2 3.85Å; A374-Y378 CarbonylContact O-C 3.59Å; A374-Y378 WeakPolarHBondContact O-CA 3.33Å; A374-Y378 WeakPolarHBondContact O-CB 3.39Å; A374-Y378 PolarHBondContact O-N 2.91Å; Y378-D380 VanDerWaalsContact C-N 3.28Å; Y378-D380 PolarHBondContact O-N 3.16Å; Y378-H381 VanDerWaalsContact CB-O 3.22Å; Y378-H381 WeakPolarHBondContact CB-O 3.47Å; Y378-H381 CarbonylContact O-C 3.59Å; Y378-H381 PolarHBondContact O-N 2.96Å; Y378-P382 WeakPolarHBondContact O-CD 3.49Å; Y378-P382 VanDerWaalsContact O-N 3.08Å
379	P	77.2	Confident	81.5	Confident	46 Å²	46	32.8 Å²	32.8	30%	0.299	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-34.7	-171.5	25.5	-37.4	0	0	0	114.3	S163 H164 C375 H381	S163-P379 PolarHBondContact OG-O 3.06Å; H164-P379 WeakPolarHBondContact NE2-CB 3.34Å; C375-P379 WeakPolarHBondContact O-CA 3.47Å; P379-H381 VanDerWaalsContact C-N 3.35Å
380	D	72.7	Confident	80.9	Confident	119 Å²	119	36 Å²	36	64%	0.636	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-23.2	178	-58.7	-45.8	0	0	0	112.9	R144 Y378	R144-D380 PolarHBondContact NH1-O 3.34Å; Y378-D380 VanDerWaalsContact C-N 3.28Å; Y378-D380 PolarHBondContact O-N 3.16Å
381	H	75.9	Confident	80.6	Confident	17 Å²	17	36.4 Å²	36.4	8%	0.079	20%	0.203	C	C	.	.			trans	-157.9	86.3	-179.2	-175.7	-150.8	0	0	0	111.5	D141 R144 K343 Y378 P379 S383	D141-H381 IonicContact OD1-CE1 3.84Å; D141-H381 IonicContact OD1-CG 3.49Å; D141-H381 IonicContact OD1-ND1 2.91Å; D141-H381 PolarHBondContact OD1-ND1 2.87Å; R144-H381 VanDerWaalsContact CZ-CG 3.44Å; R144-H381 VanDerWaalsContact CZ-NE2 3.28Å; R144-H381 PolarHBondContact NH1-CD2 2.9Å; R144-H381 VanDerWaalsContact NH1-CG 3.28Å; R144-H381 PolarHBondContact NH2-CD2 2.91Å; R144-H381 VanDerWaalsContact NH2-CD2 3.27Å; R144-H381 PolarHBondContact NH2-NE2 3.12Å; K343-H381 VanDerWaalsContact CE-O 3.31Å; K343-H381 WeakPolarHBondContact CE-O 3.34Å; K343-H381 PolarHBondContact NZ-ND1 3.27Å; K343-H381 PolarHBondContact NZ-O 3.46Å; Y378-H381 VanDerWaalsContact CB-O 3.22Å; Y378-H381 WeakPolarHBondContact CB-O 3.47Å; Y378-H381 CarbonylContact O-C 3.59Å; Y378-H381 PolarHBondContact O-N 2.96Å; P379-H381 VanDerWaalsContact C-N 3.35Å; H381-S383 PolarHBondContact O-N 3.32Å
382	P	78	Confident	80.1	Confident	31 Å²	31	35.3 Å²	35.3	20%	0.201	20%	0.2	C	C	.	.			trans	-76.5	-7.4	179.9	28.6	-36	0	0	0	114	S163 A374 C375 Y378	S163-P382 WeakPolarHBondContact OG-CD 3.47Å; S163-P382 WeakPolarHBondContact OG-CG 3.26Å; A374-P382 HydrophobicContact CB-CB 3.89Å; A374-P382 WeakPolarHBondContact CB-O 3.26Å; C375-P382 HydrophobicContact CB-CB 4.17Å; C375-P382 WeakPolarHBondContact SG-CB 3.39Å; Y378-P382 WeakPolarHBondContact O-CD 3.49Å; Y378-P382 VanDerWaalsContact O-N 3.08Å
383	S	76.9	Confident	79.5	Confident	22 Å²	22	37.8 Å²	37.8	15%	0.154	21%	0.208	C	C	.	.			trans	-82.5	140.5	-172.9	-163.7	0	0	0	0	113.1	K343 H381 V385	K343-S383 WeakPolarHBondContact CE-O 3.47Å; K343-S383 PolarHBondContact NZ-O 3.02Å; H381-S383 PolarHBondContact O-N 3.32Å; S383-V385 VanDerWaalsContact OG-CB 3.29Å; S383-V385 WeakPolarHBondContact OG-CB 3.36Å; S383-V385 VanDerWaalsContact OG-CG2 3.26Å; S383-V385 WeakPolarHBondContact OG-CG2 3.47Å; S383-V385 PolarHBondContact OG-N 3.4Å; S383-V385 VanDerWaalsContact OG-N 3.11Å
384	V	82.3	Confident	78.6	Confident	6 Å²	6	38.4 Å²	38.4	4%	0.036	21%	0.214	C	C	.	.			trans	-104.7	5.7	164.9	-63.7	0	0	0	0	111.9	V340 K343 V344 I347 W370 H483 T487	V340-V384 HydrophobicContact CG1-CB 4.35Å; K343-V384 HydrophobicContact CD-CG1 4.04Å; K343-V384 HydrophobicContact CG-CG1 3.98Å; V344-V384 HydrophobicContact CG2-CB 3.98Å; V344-V384 HydrophobicContact CG2-CG1 3.82Å; V344-V384 HydrophobicContact CG2-CG2 4.33Å; I347-V384 HydrophobicContact CD1-CG1 3.68Å; W370-V384 HydrophobicContact CZ2-CG2 4.18Å; V384-H483 WeakPolarHBondContact CG2-NE2 3.33Å; V384-T487 HydrophobicContact CG2-CG2 4.48Å
385	V	78.7	Confident	78.3	Confident	6 Å²	6	38.3 Å²	38.3	4%	0.036	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-72.7	127.1	177.7	-179	0	0	0	0	109.3	T137 S383 K486 T487	T137-V385 HydrophobicContact CG2-CB 4.37Å; S383-V385 VanDerWaalsContact OG-CB 3.29Å; S383-V385 WeakPolarHBondContact OG-CB 3.36Å; S383-V385 VanDerWaalsContact OG-CG2 3.26Å; S383-V385 WeakPolarHBondContact OG-CG2 3.47Å; S383-V385 PolarHBondContact OG-N 3.4Å; S383-V385 VanDerWaalsContact OG-N 3.11Å; V385-K486 HydrophobicContact CG1-CB 3.72Å; V385-K486 HydrophobicContact CG1-CD 4.05Å; V385-T487 HydrophobicContact CB-CG2 4.14Å; V385-T487 HydrophobicContact CG2-CG2 3.38Å
386	T	73.4	Confident	78.3	Confident	24 Å²	24	39.6 Å²	39.6	15%	0.147	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-98.9	148.2	168.8	48.7	0	0	0	0	111.7	R335 M338 V340	R335-T386 HydrophobicContact CG-CG2 3.82Å; M338-T386 HydrophobicContact CE-CG2 4.06Å; M338-T386 HydrophobicContact SD-CG2 3.82Å; V340-T386 HydrophobicContact CG2-CG2 3.68Å
387	G	65.9	Low	78.1	Confident	25 Å²	25	36.3 Å²	36.3	26%	0.258	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-63.5	140.5	173.6	0	0	0	0	0	111.4	V389	G387-V389 PolarHBondContact O-N 3.14Å
388	P	62.6	Low	77.9	Confident	81 Å²	81	34.2 Å²	34.2	53%	0.526	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-73.4	124.5	-175.2	28.2	-33.3	0	0	0	111.6
389	V	70.6	Confident	78.2	Confident	22 Å²	22	31.5 Å²	31.5	13%	0.133	18%	0.181	C	C	.	.			trans	-102.9	71.9	162	-175.2	0	0	0	0	108.1	Q31 F330 H331 L334 G387	Q31-V389 HydrophobicContact CB-CG1 3.78Å; F330-V389 HydrophobicContact CE1-CB 4.33Å; F330-V389 HydrophobicContact CE1-CG1 3.78Å; H331-V389 PolarHBondContact NE2-O 2.71Å; L334-V389 HydrophobicContact CD1-CB 4.33Å; L334-V389 HydrophobicContact CD1-CG2 3.92Å; G387-V389 PolarHBondContact O-N 3.14Å
390	N	78.5	Confident	78.9	Confident	76 Å²	76	29.3 Å²	29.3	41%	0.406	17%	0.167	S	C	.	.	P	Polyproline II helix	trans	-84	136.5	-179.9	-73.7	-28.9	0	0	0	110.9	S28	S28-N390 PolarHBondContact OG-O 3.31Å
391	W	86.4	Confident	79.8	Confident	9 Å²	9	26.9 Å²	26.9	3%	0.034	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-85.6	139	174.7	-62	-11.9	0	0	0	110.9	S28 T32 F284 L326 M327 F330 K396 I399	S28-W391 WeakPolarHBondContact OG-CA 3.47Å; T32-W391 HydrophobicContact CG2-CZ2 4.46Å; T32-W391 PolarHBondContact OG1-NE1 3.41Å; T32-W391 VanDerWaalsContact OG1-NE1 3.11Å; F284-W391 HydrophobicContact CB-CH2 3.9Å; F284-W391 HydrophobicContact CB-CZ2 4.15Å; F284-W391 HydrophobicContact CB-CZ3 4.29Å; F284-W391 AromaticContact CD1-CD2 3.71Å; F284-W391 HydrophobicContact CD1-CD2 3.71Å; F284-W391 AromaticContact CD1-CE2 3.45Å; F284-W391 VanDerWaalsContact CD1-CE2 3.45Å; F284-W391 HydrophobicContact CD1-CE3 4.2Å; F284-W391 HydrophobicContact CD1-CG 4.12Å; F284-W391 HydrophobicContact CD1-CH2 4.13Å; F284-W391 AromaticContact CD1-CZ2 3.69Å; F284-W391 HydrophobicContact CD1-CZ2 3.69Å; F284-W391 HydrophobicContact CD1-CZ3 4.39Å; F284-W391 AromaticContact CD1-NE1 3.64Å; F284-W391 AromaticContact CE1-CD1 3.83Å; F284-W391 HydrophobicContact CE1-CD2 4.12Å; F284-W391 HydrophobicContact CE1-CG 4.02Å; F284-W391 AromaticContact CE1-NE1 3.82Å; F284-W391 HydrophobicContact CG-CZ2 4.41Å; L326-W391 HydrophobicContact CB-CZ3 4.32Å; L326-W391 HydrophobicContact CD2-CH2 3.99Å; L326-W391 HydrophobicContact CD2-CZ3 3.99Å; L326-W391 HydrophobicContact CG-CH2 3.72Å; L326-W391 HydrophobicContact CG-CZ3 3.87Å; M327-W391 HydrophobicContact CB-CD2 3.92Å; M327-W391 HydrophobicContact CB-CE3 3.64Å; M327-W391 HydrophobicContact CB-CH2 4.27Å; M327-W391 HydrophobicContact CB-CZ2 4.46Å; M327-W391 HydrophobicContact CB-CZ3 3.83Å; M327-W391 HydrophobicContact CG-CD2 3.73Å; M327-W391 HydrophobicContact CG-CE3 4.01Å; M327-W391 HydrophobicContact CG-CG 4.03Å; M327-W391 HydrophobicContact CG-CZ2 4.49Å; M327-W391 HydrophobicContact SD-CB 3.79Å; M327-W391 HydrophobicContact SD-CD2 4.06Å; M327-W391 HydrophobicContact SD-CE3 4.45Å; M327-W391 HydrophobicContact SD-CG 3.79Å; M327-W391 PolarHBondContact SD-N 3.45Å; M327-W391 VanDerWaalsContact SD-N 3.36Å; F330-W391 HydrophobicContact CB-CZ2 4.48Å; F330-W391 AromaticContact CD1-CZ2 3.8Å; F330-W391 HydrophobicContact CD1-CZ2 3.8Å; F330-W391 HydrophobicContact CE1-CZ2 4.42Å; F330-W391 HydrophobicContact CG-CZ2 4.4Å; W391-K396 HydrophobicContact CB-CG 4.1Å; W391-K396 VanDerWaalsContact O-CE 3.27Å; W391-K396 WeakPolarHBondContact O-CE 3.48Å; W391-I399 HydrophobicContact CD2-CD1 4.36Å; W391-I399 HydrophobicContact CE3-CD1 3.64Å; W391-I399 HydrophobicContact CZ3-CD1 3.75Å
392	S	79.1	Confident	80.5	Confident	15 Å²	15	28 Å²	28	11%	0.105	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-65.5	153.1	177.4	80.6	0	0	0	0	110.4	A25 S28 A394 D395 K396	A25-S392 WeakPolarHBondContact CA-OG 3.48Å; S28-S392 PolarHBondContact OG-N 2.85Å; S392-A394 PolarHBondContact O-N 3.44Å; S392-D395 WeakPolarHBondContact CB-OD2 3.28Å; S392-D395 PolarHBondContact N-OD2 2.74Å; S392-D395 PolarHBondContact O-N 3.45Å; S392-D395 PolarHBondContact OG-N 3.01Å; S392-D395 PolarHBondContact OG-OD2 2.95Å; S392-K396 WeakPolarHBondContact O-CG 2.78Å; S392-K396 PolarHBondContact O-N 2.88Å
393	Y	76	Confident	81.3	Confident	66 Å²	66	26.6 Å²	26.6	26%	0.259	14%	0.144	S	C	.	.	H	α-helix	trans	-53.3	-38.2	175.8	178.1	-99.4	0	0	0	112.2	K396 Q397	Y393-K396 PolarHBondContact O-N 3.48Å; Y393-Q397 HydrophobicContact CD1-CG 4.16Å; Y393-Q397 HydrophobicContact CE1-CG 3.71Å; Y393-Q397 HydrophobicContact CE2-CG 4.21Å; Y393-Q397 WeakPolarHBondContact O-CG 3.33Å; Y393-Q397 PolarHBondContact O-N 3.16Å; Y393-Q397 PolarHBondContact OH-NE2 3.39Å
394	A	74.3	Confident	82.1	Confident	13 Å²	13	25.6 Å²	25.6	11%	0.107	14%	0.137	C	C	.	.	H	α-helix	trans	-65.9	-41.2	178.7	0	0	0	0	0	112.5	S392 Q397 E398 V921	S392-A394 PolarHBondContact O-N 3.44Å; A394-Q397 PolarHBondContact O-N 2.97Å; A394-E398 PolarHBondContact O-N 3.24Å; A394-V921 HydrophobicContact CB-CB 4.47Å; A394-V921 HydrophobicContact CB-CG2 3.44Å; A394-V921 VanDerWaalsContact CB-CG2 3.44Å
395	D	84.4	Confident	82.6	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.9	-45.2	176.2	-55	-39.1	0	0	0	110	S28 F284 S392 Q397 E398 I399 Y925	S28-D395 VanDerWaalsContact CB-OD2 3.31Å; S28-D395 WeakPolarHBondContact CB-OD2 3.5Å; F284-D395 HydrophobicContact CE1-CB 4.33Å; F284-D395 HydrophobicContact CE2-CB 4.46Å; F284-D395 HydrophobicContact CZ-CB 3.97Å; S392-D395 WeakPolarHBondContact CB-OD2 3.28Å; S392-D395 PolarHBondContact N-OD2 2.74Å; S392-D395 PolarHBondContact O-N 3.45Å; S392-D395 PolarHBondContact OG-N 3.01Å; S392-D395 PolarHBondContact OG-OD2 2.95Å; D395-Q397 VanDerWaalsContact C-N 3.33Å; D395-Q397 PolarHBondContact O-N 3.37Å; D395-E398 PolarHBondContact O-N 2.87Å; D395-I399 HydrophobicContact CB-CD1 4.24Å; D395-I399 WeakPolarHBondContact O-CB 3.31Å; D395-I399 VanDerWaalsContact O-CD1 3.27Å; D395-I399 WeakPolarHBondContact O-CD1 3.09Å; D395-I399 WeakPolarHBondContact O-CG1 3.43Å; D395-I399 PolarHBondContact O-N 3.48Å; D395-Y925 PolarHBondContact OD1-OH 3.28Å
396	K	86.9	Confident	83.4	Confident	28 Å²	28	27.5 Å²	27.5	12%	0.122	15%	0.151	C	C	.	.	H	α-helix	trans	-57.9	-43.4	177.7	-67.9	-178.2	-172.2	-175.9	0	112.7	E320 A323 D324 W391 S392 Y393 G400	E320-K396 HydrophobicContact CG-CD 4.32Å; A323-K396 HydrophobicContact CB-CB 3.69Å; A323-K396 HydrophobicContact CB-CG 3.99Å; A323-K396 VanDerWaalsContact CB-O 3.26Å; A323-K396 WeakPolarHBondContact CB-O 3.45Å; D324-K396 WeakPolarHBondContact OD1-CD 3.25Å; D324-K396 WeakPolarHBondContact OD1-CE 3.4Å; D324-K396 IonicContact OD1-NZ 2.82Å; D324-K396 PolarHBondContact OD1-NZ 2.92Å; D324-K396 IonicContact OD2-NZ 3.96Å; W391-K396 HydrophobicContact CB-CG 4.1Å; W391-K396 VanDerWaalsContact O-CE 3.27Å; W391-K396 WeakPolarHBondContact O-CE 3.48Å; S392-K396 WeakPolarHBondContact O-CG 2.78Å; S392-K396 PolarHBondContact O-N 2.88Å; Y393-K396 PolarHBondContact O-N 3.48Å; K396-G400 PolarHBondContact O-N 3.11Å
397	Q	84.5	Confident	84.5	Confident	31 Å²	31	26.4 Å²	26.4	15%	0.145	14%	0.144	C	C	.	.	H	α-helix	trans	-63.2	-44.3	178.6	-71	-61.3	-44.4	0	0	112.1	F316 Y393 A394 D395 R401	F316-Q397 PolarHBondContact O-NE2 2.72Å; Y393-Q397 HydrophobicContact CD1-CG 4.16Å; Y393-Q397 HydrophobicContact CE1-CG 3.71Å; Y393-Q397 HydrophobicContact CE2-CG 4.21Å; Y393-Q397 WeakPolarHBondContact O-CG 3.33Å; Y393-Q397 PolarHBondContact O-N 3.16Å; Y393-Q397 PolarHBondContact OH-NE2 3.39Å; A394-Q397 PolarHBondContact O-N 2.97Å; D395-Q397 VanDerWaalsContact C-N 3.33Å; D395-Q397 PolarHBondContact O-N 3.37Å; Q397-R401 VanDerWaalsContact O-CB 3.23Å; Q397-R401 WeakPolarHBondContact O-CB 3.48Å; Q397-R401 PolarHBondContact O-N 3.46Å
398	E	86.3	Confident	85.7	Confident	24 Å²	24	27.1 Å²	27.1	11%	0.112	14%	0.142	C	C	.	.	H	α-helix	trans	-69.5	-43.7	-180	-169.8	65.6	-159.3	0	0	112	I281 A394 D395 R401 Q402 Y925	I281-E398 HydrophobicContact CG2-CB 4.07Å; I281-E398 HydrophobicContact CG2-CG 3.62Å; A394-E398 PolarHBondContact O-N 3.24Å; D395-E398 PolarHBondContact O-N 2.87Å; E398-R401 PolarHBondContact O-N 3Å; E398-R401 IonicContact OE1-NH1 3.37Å; E398-Q402 PolarHBondContact O-N 2.93Å; E398-Q402 VanDerWaalsContact O-N 3.07Å; E398-Y925 HydrophobicContact CB-CD1 4.38Å; E398-Y925 HydrophobicContact CG-CD1 3.79Å; E398-Y925 HydrophobicContact CG-CG 3.92Å
399	I	91.7	Very high	87.1	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-58.1	-54.5	175.1	-67.4	161.2	0	0	0	109.5	I281 F284 L285 A323 L326 W391 D395 R401 Q402 L403	I281-I399 HydrophobicContact CB-CG1 4.22Å; I281-I399 HydrophobicContact CG2-CG1 3.85Å; F284-I399 HydrophobicContact CB-CD1 3.52Å; F284-I399 HydrophobicContact CB-CG1 4Å; F284-I399 HydrophobicContact CD1-CD1 3.8Å; F284-I399 HydrophobicContact CD2-CD1 3.94Å; F284-I399 HydrophobicContact CD2-CG1 4.32Å; F284-I399 HydrophobicContact CE1-CD1 4.42Å; F284-I399 HydrophobicContact CG-CD1 3.5Å; F284-I399 HydrophobicContact CG-CG1 4.21Å; L285-I399 HydrophobicContact CD2-CG2 4.29Å; A323-I399 HydrophobicContact CB-CB 4.22Å; A323-I399 HydrophobicContact CB-CG2 4.07Å; L326-I399 HydrophobicContact CD2-CG2 3.79Å; W391-I399 HydrophobicContact CD2-CD1 4.36Å; W391-I399 HydrophobicContact CE3-CD1 3.64Å; W391-I399 HydrophobicContact CZ3-CD1 3.75Å; D395-I399 HydrophobicContact CB-CD1 4.24Å; D395-I399 WeakPolarHBondContact O-CB 3.31Å; D395-I399 VanDerWaalsContact O-CD1 3.27Å; D395-I399 WeakPolarHBondContact O-CD1 3.09Å; D395-I399 WeakPolarHBondContact O-CG1 3.43Å; D395-I399 PolarHBondContact O-N 3.48Å; I399-R401 VanDerWaalsContact C-N 3.3Å; I399-R401 PolarHBondContact O-N 3.05Å; I399-Q402 PolarHBondContact O-N 3.46Å; I399-L403 HydrophobicContact CG2-CD1 3.84Å; I399-L403 HydrophobicContact CG2-CG 4.29Å; I399-L403 WeakPolarHBondContact O-CB 3.35Å; I399-L403 VanDerWaalsContact O-CG 3.28Å; I399-L403 WeakPolarHBondContact O-CG 3.44Å; I399-L403 PolarHBondContact O-N 3.06Å
400	G	92.6	Very high	88.3	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58.5	-41.6	-178.7	0	0	0	0	0	112.5	Y319 K396 L403 F404	Y319-G400 VanDerWaalsContact O-CA 3.32Å; Y319-G400 WeakPolarHBondContact O-CA 3.27Å; K396-G400 PolarHBondContact O-N 3.11Å; G400-L403 PolarHBondContact O-N 3.43Å; G400-F404 VanDerWaalsContact O-CB 3.3Å; G400-F404 WeakPolarHBondContact O-CB 3.31Å; G400-F404 PolarHBondContact O-N 3.04Å
401	R	90.2	Very high	89.1	Confident	69 Å²	69	23.5 Å²	23.5	26%	0.26	12%	0.117	S	C	.	.	H	α-helix	trans	-60.7	-48	176	-179.5	-177.5	175.6	-132.8	-1.8	112.3	Y319 Q397 E398 I399 F404 S405	Y319-R401 HydrophobicContact CD1-CB 4.37Å; Y319-R401 HydrophobicContact CD2-CB 4.2Å; Y319-R401 HydrophobicContact CE1-CB 4.31Å; Y319-R401 HydrophobicContact CE2-CB 4.15Å; Y319-R401 HydrophobicContact CE2-CG 4.35Å; Y319-R401 HydrophobicContact CG-CB 4.33Å; Q397-R401 VanDerWaalsContact O-CB 3.23Å; Q397-R401 WeakPolarHBondContact O-CB 3.48Å; Q397-R401 PolarHBondContact O-N 3.46Å; E398-R401 PolarHBondContact O-N 3Å; E398-R401 IonicContact OE1-NH1 3.37Å; I399-R401 VanDerWaalsContact C-N 3.3Å; I399-R401 PolarHBondContact O-N 3.05Å; R401-F404 PolarHBondContact O-N 3.08Å; R401-S405 PolarHBondContact O-N 3.39Å
402	Q	91.8	Very high	89.6	Confident	41 Å²	41	26.3 Å²	26.3	19%	0.192	13%	0.133	C	C	.	.	H	α-helix	trans	-63.1	-45.8	178.4	-174.6	65.2	32.3	0	0	111.1	E265 I281 E398 I399 F404 S405 L406	E265-Q402 HydrophobicContact CG-CG 4.34Å; E265-Q402 PolarHBondContact OE1-NE2 3.12Å; I281-Q402 HydrophobicContact CD1-CB 3.4Å; I281-Q402 HydrophobicContact CD1-CG 3.5Å; I281-Q402 VanDerWaalsContact CD1-CG 3.5Å; E398-Q402 PolarHBondContact O-N 2.93Å; E398-Q402 VanDerWaalsContact O-N 3.07Å; I399-Q402 PolarHBondContact O-N 3.46Å; Q402-F404 VanDerWaalsContact C-N 3.28Å; Q402-F404 PolarHBondContact O-N 3.24Å; Q402-S405 WeakPolarHBondContact O-CB 3.48Å; Q402-S405 PolarHBondContact O-N 3.01Å; Q402-L406 PolarHBondContact O-N 3.21Å
403	L	94.7	Very high	90.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.2	-37.9	178.3	-70	-175.9	0	0	0	112.2	L285 L293 L297 L322 L326 I399 G400 L406 I407	L285-L403 HydrophobicContact CD2-CD2 3.75Å; L285-L403 HydrophobicContact CD2-CG 4.25Å; L293-L403 HydrophobicContact CD1-CD1 4.17Å; L293-L403 HydrophobicContact CD1-CD2 3.86Å; L293-L403 HydrophobicContact CD2-CD2 4.05Å; L293-L403 HydrophobicContact CG-CD2 4.31Å; L297-L403 HydrophobicContact CD2-CB 3.9Å; L297-L403 HydrophobicContact CD2-CD1 4.48Å; L297-L403 HydrophobicContact CD2-CD2 4.25Å; L297-L403 HydrophobicContact CD2-CG 4.43Å; L322-L403 HydrophobicContact CD2-CB 3.51Å; L322-L403 HydrophobicContact CD2-CD1 4.27Å; L322-L403 HydrophobicContact CG-CB 4.18Å; L322-L403 HydrophobicContact CG-CD1 4Å; L326-L403 HydrophobicContact CD2-CD1 3.99Å; I399-L403 HydrophobicContact CG2-CD1 3.84Å; I399-L403 HydrophobicContact CG2-CG 4.29Å; I399-L403 WeakPolarHBondContact O-CB 3.35Å; I399-L403 VanDerWaalsContact O-CG 3.28Å; I399-L403 WeakPolarHBondContact O-CG 3.44Å; I399-L403 PolarHBondContact O-N 3.06Å; G400-L403 PolarHBondContact O-N 3.43Å; L403-L406 HydrophobicContact CD2-CD1 4.32Å; L403-L406 WeakPolarHBondContact O-CB 3.44Å; L403-L406 PolarHBondContact O-N 3.2Å; L403-I407 PolarHBondContact O-N 3.09Å; L403-I407 VanDerWaalsContact O-N 3.16Å
404	F	93.6	Very high	91.3	Very high	1 Å²	1	22.7 Å²	22.7	0%	0.004	12%	0.117	C	C	.	.	H	α-helix	trans	-71.5	-32.8	177.3	-146	-83.9	0	0	0	112.6	L304 M315 Y318 Y319 L322 G400 R401 Q402 L406 I407 L408 L448	L304-F404 HydrophobicContact CD1-CE2 3.95Å; L304-F404 HydrophobicContact CD1-CZ 3.74Å; M315-F404 HydrophobicContact CE-CD1 3.48Å; M315-F404 VanDerWaalsContact CE-CD1 3.48Å; M315-F404 HydrophobicContact CE-CD2 4.4Å; M315-F404 HydrophobicContact CE-CE1 3.59Å; M315-F404 HydrophobicContact CE-CE2 4.47Å; M315-F404 HydrophobicContact CE-CG 3.92Å; M315-F404 HydrophobicContact CE-CZ 4.1Å; Y318-F404 HydrophobicContact CG-CE2 4.39Å; Y319-F404 HydrophobicContact CD1-CB 3.95Å; Y319-F404 HydrophobicContact CD1-CG 4.35Å; Y319-F404 HydrophobicContact CE1-CB 3.69Å; Y319-F404 HydrophobicContact CE1-CG 4.04Å; L322-F404 HydrophobicContact CD2-CD2 4.38Å; G400-F404 VanDerWaalsContact O-CB 3.3Å; G400-F404 WeakPolarHBondContact O-CB 3.31Å; G400-F404 PolarHBondContact O-N 3.04Å; R401-F404 PolarHBondContact O-N 3.08Å; Q402-F404 VanDerWaalsContact C-N 3.28Å; Q402-F404 PolarHBondContact O-N 3.24Å; F404-L406 VanDerWaalsContact C-N 3.26Å; F404-L406 PolarHBondContact O-N 3.25Å; F404-I407 HydrophobicContact CD2-CD1 4.18Å; F404-I407 HydrophobicContact CE2-CD1 4.34Å; F404-I407 WeakPolarHBondContact O-CB 3.48Å; F404-I407 PolarHBondContact O-N 3.4Å; F404-I407 VanDerWaalsContact O-N 3.11Å; F404-L408 HydrophobicContact CD1-CD1 4.06Å; F404-L408 HydrophobicContact CD1-CD2 4.28Å; F404-L408 HydrophobicContact CD1-CG 3.87Å; F404-L408 HydrophobicContact CE1-CD1 4.41Å; F404-L408 HydrophobicContact CE1-CD2 3.89Å; F404-L408 HydrophobicContact CE1-CG 4.01Å; F404-L408 WeakPolarHBondContact O-CG 3.46Å; F404-L408 PolarHBondContact O-N 3.45Å; F404-L448 HydrophobicContact CE1-CD1 3.52Å; F404-L448 HydrophobicContact CE1-CD2 4.33Å; F404-L448 HydrophobicContact CZ-CD1 3.7Å; F404-L448 HydrophobicContact CZ-CD2 3.61Å; F404-L448 HydrophobicContact CZ-CG 4.26Å
405	S	92.7	Very high	92.3	Very high	44 Å²	44	23.9 Å²	23.9	31%	0.308	13%	0.125	S	C	.	.	H	α-helix	trans	-56.8	-44.7	169.2	-166.2	0	0	0	0	110.6	R401 Q402 I407 L408 D409	R401-S405 PolarHBondContact O-N 3.39Å; Q402-S405 WeakPolarHBondContact O-CB 3.48Å; Q402-S405 PolarHBondContact O-N 3.01Å; S405-I407 VanDerWaalsContact C-N 3.27Å; S405-I407 PolarHBondContact O-N 3.16Å; S405-L408 PolarHBondContact O-N 3.25Å; S405-D409 WeakPolarHBondContact O-CB 3.45Å; S405-D409 PolarHBondContact O-N 2.97Å; S405-D409 VanDerWaalsContact O-OD2 3.11Å; S405-D409 PolarHBondContact OG-OD2 3.09Å
406	L	95.1	Very high	92.7	Very high	9 Å²	9	26.7 Å²	26.7	5%	0.047	14%	0.142	C	C	.	.	H	α-helix	trans	-60.6	-37.4	176.2	-57.5	178.6	0	0	0	111.9	N261 V262 E265 L297 Q402 L403 F404 S410	N261-L406 HydrophobicContact CB-CD2 4.33Å; V262-L406 HydrophobicContact CG2-CD1 4Å; E265-L406 HydrophobicContact CB-CD1 4.31Å; E265-L406 HydrophobicContact CB-CD2 4.09Å; E265-L406 HydrophobicContact CG-CD2 4.34Å; L297-L406 HydrophobicContact CD1-CB 4.22Å; L297-L406 HydrophobicContact CD1-CD1 4.28Å; Q402-L406 PolarHBondContact O-N 3.21Å; L403-L406 HydrophobicContact CD2-CD1 4.32Å; L403-L406 WeakPolarHBondContact O-CB 3.44Å; L403-L406 PolarHBondContact O-N 3.2Å; F404-L406 VanDerWaalsContact C-N 3.26Å; F404-L406 PolarHBondContact O-N 3.25Å; L406-S410 WeakPolarHBondContact O-CB 3.45Å; L406-S410 PolarHBondContact O-N 2.95Å; L406-S410 PolarHBondContact O-OG 3.04Å
407	I	95.5	Very high	93	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.4	-55.6	174.3	-70	172.3	0	0	0	110.2	L258 L297 E300 V301 L322 L403 F404 S405 D409 S410 T411 F433	L258-I407 HydrophobicContact CD2-CG1 4.31Å; L297-I407 HydrophobicContact CB-CG1 4.26Å; L297-I407 HydrophobicContact CD2-CD1 4.09Å; L297-I407 HydrophobicContact CD2-CG1 4.17Å; E300-I407 HydrophobicContact CB-CD1 4.2Å; E300-I407 HydrophobicContact CG-CD1 4.02Å; V301-I407 HydrophobicContact CG2-CB 4.43Å; V301-I407 HydrophobicContact CG2-CD1 4.38Å; V301-I407 HydrophobicContact CG2-CG1 4.14Å; V301-I407 HydrophobicContact CG2-CG2 3.59Å; L322-I407 HydrophobicContact CD2-CD1 3.92Å; L403-I407 PolarHBondContact O-N 3.09Å; L403-I407 VanDerWaalsContact O-N 3.16Å; F404-I407 HydrophobicContact CD2-CD1 4.18Å; F404-I407 HydrophobicContact CE2-CD1 4.34Å; F404-I407 WeakPolarHBondContact O-CB 3.48Å; F404-I407 PolarHBondContact O-N 3.4Å; F404-I407 VanDerWaalsContact O-N 3.11Å; S405-I407 VanDerWaalsContact C-N 3.27Å; S405-I407 PolarHBondContact O-N 3.16Å; I407-D409 VanDerWaalsContact C-N 3.28Å; I407-D409 PolarHBondContact O-N 3.4Å; I407-S410 PolarHBondContact O-N 3.23Å; I407-S410 VanDerWaalsContact O-N 3.15Å; I407-T411 HydrophobicContact CG2-CG2 4.35Å; I407-T411 PolarHBondContact O-N 3.2Å; I407-T411 PolarHBondContact O-OG1 3.35Å; I407-F433 HydrophobicContact CG2-CD2 4.22Å; I407-F433 HydrophobicContact CG2-CE2 4.46Å
408	L	92.7	Very high	93.2	Very high	41 Å²	41	32.3 Å²	32.3	22%	0.215	16%	0.161	C	C	.	.	H	α-helix	trans	-56.6	-41.7	-178.1	-66	177.6	0	0	0	112.3	F404 S405 F433 L448	F404-L408 HydrophobicContact CD1-CD1 4.06Å; F404-L408 HydrophobicContact CD1-CD2 4.28Å; F404-L408 HydrophobicContact CD1-CG 3.87Å; F404-L408 HydrophobicContact CE1-CD1 4.41Å; F404-L408 HydrophobicContact CE1-CD2 3.89Å; F404-L408 HydrophobicContact CE1-CG 4.01Å; F404-L408 WeakPolarHBondContact O-CG 3.46Å; F404-L408 PolarHBondContact O-N 3.45Å; S405-L408 PolarHBondContact O-N 3.25Å; L408-F433 HydrophobicContact CD2-CB 3.85Å; L408-L448 HydrophobicContact CD2-CD1 4.35Å
409	D	92.1	Very high	93.2	Very high	99 Å²	99	33.5 Å²	33.5	53%	0.529	17%	0.168	S	C	.	.	H	α-helix	trans	-75.6	-27.1	-178.2	-62.3	-27.2	0	0	0	112.9	S405 I407	S405-D409 WeakPolarHBondContact O-CB 3.45Å; S405-D409 PolarHBondContact O-N 2.97Å; S405-D409 VanDerWaalsContact O-OD2 3.11Å; S405-D409 PolarHBondContact OG-OD2 3.09Å; I407-D409 VanDerWaalsContact C-N 3.28Å; I407-D409 PolarHBondContact O-N 3.4Å
410	S	94.4	Very high	93	Very high	4 Å²	4	37.3 Å²	37.3	3%	0.028	20%	0.195	C	C	.	.	H	α-helix	trans	-94.9	-27	-173.8	-53.9	0	0	0	0	114	N261 L406 I407 L412	N261-S410 PolarHBondContact ND2-OG 2.75Å; L406-S410 WeakPolarHBondContact O-CB 3.45Å; L406-S410 PolarHBondContact O-N 2.95Å; L406-S410 PolarHBondContact O-OG 3.04Å; I407-S410 PolarHBondContact O-N 3.23Å; I407-S410 VanDerWaalsContact O-N 3.15Å; S410-L412 PolarHBondContact O-N 3.16Å
411	T	96	Very high	92.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.225	C	C	.	.			trans	-96.3	93.4	-174.1	59.8	0	0	0	0	111.2	W254 V301 I407 A432 F433	W254-T411 HydrophobicContact CB-CG2 4.27Å; W254-T411 HydrophobicContact CD2-CG2 4.03Å; W254-T411 HydrophobicContact CE3-CG2 4.4Å; W254-T411 HydrophobicContact CG-CG2 3.98Å; V301-T411 HydrophobicContact CB-CG2 4.5Å; V301-T411 HydrophobicContact CG1-CG2 4Å; V301-T411 HydrophobicContact CG2-CG2 3.67Å; I407-T411 HydrophobicContact CG2-CG2 4.35Å; I407-T411 PolarHBondContact O-N 3.2Å; I407-T411 PolarHBondContact O-OG1 3.35Å; T411-A432 VanDerWaalsContact O-CB 3.26Å; T411-A432 WeakPolarHBondContact O-CB 3.31Å; T411-A432 PolarHBondContact O-N 3.03Å; T411-F433 HydrophobicContact CG2-CE2 4.21Å; T411-F433 VanDerWaalsContact OG1-CD2 3.27Å; T411-F433 WeakPolarHBondContact OG1-CD2 3.25Å
412	L	96.2	Very high	92.4	Very high	68 Å²	68	42.6 Å²	42.6	36%	0.356	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	143.8	178.5	-55.5	179.8	0	0	0	111.9	W254 S410 L429 V430 P431	W254-L412 VanDerWaalsContact NE1-N 3.19Å; W254-L412 PolarHBondContact NE1-O 2.89Å; S410-L412 PolarHBondContact O-N 3.16Å; L412-L429 HydrophobicContact CB-CB 4.29Å; L412-L429 HydrophobicContact CD1-CB 4.41Å; L412-V430 CarbonylContact C-O 3.49Å; L412-V430 VanDerWaalsContact CA-O 3.32Å; L412-V430 WeakPolarHBondContact CA-O 3.43Å; L412-P431 HydrophobicContact CD2-CG 4.42Å
413	I	95.8	Very high	92.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	152	176.6	-165.8	169.2	0	0	0	109.7	W254 S415 V430 A432 H451 T453 L454 L457	W254-I413 HydrophobicContact CZ2-CB 4.48Å; I413-S415 PolarHBondContact O-N 2.92Å; I413-V430 HydrophobicContact CG2-CG2 4.28Å; I413-V430 PolarHBondContact N-O 2.79Å; I413-V430 WeakPolarHBondContact O-CG2 3.3Å; I413-V430 PolarHBondContact O-N 2.94Å; I413-V430 VanDerWaalsContact O-O 3.08Å; I413-A432 HydrophobicContact CB-CB 4.31Å; I413-A432 HydrophobicContact CG2-CB 4.12Å; I413-H451 HydrophobicContact CG2-CB 4.13Å; I413-T453 HydrophobicContact CD1-CG2 4.18Å; I413-T453 HydrophobicContact CG1-CG2 4.42Å; I413-L454 HydrophobicContact CD1-CB 3.77Å; I413-L454 HydrophobicContact CD1-CD1 4.09Å; I413-L457 HydrophobicContact CD1-CD2 4.11Å
414	P	95.9	Very high	92	Very high	5 Å²	5	49.1 Å²	49.1	3%	0.032	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	136.3	169.9	-28.8	37.8	0	0	0	112.5	F246 T416 K426 D428 L429 T453	F246-P414 HydrophobicContact CE2-CG 4.4Å; F246-P414 HydrophobicContact CZ-CG 3.76Å; P414-T416 VanDerWaalsContact CB-O 3.3Å; P414-T416 WeakPolarHBondContact CB-O 3.47Å; P414-T416 PolarHBondContact O-N 2.9Å; P414-K426 HydrophobicContact CB-CB 4.07Å; P414-K426 HydrophobicContact CG-CB 3.94Å; P414-K426 HydrophobicContact CG-CD 4.46Å; P414-K426 HydrophobicContact CG-CG 4.18Å; P414-D428 CarbonylContact C-O 3.5Å; P414-D428 WeakPolarHBondContact CA-O 3.21Å; P414-L429 HydrophobicContact CG-CD2 4.22Å; P414-T453 WeakPolarHBondContact O-CB 3.42Å; P414-T453 WeakPolarHBondContact O-CG2 3.46Å; P414-T453 PolarHBondContact O-OG1 3.22Å
415	S	94.8	Very high	91.9	Very high	38 Å²	38	52.9 Å²	52.9	27%	0.266	30%	0.297	S	S	.	.	S	Bend	trans	-58.3	-33	176.3	61.8	0	0	0	0	111.7	I413 D428 H451 T453	I413-S415 PolarHBondContact O-N 2.92Å; S415-D428 WeakPolarHBondContact CB-O 3.23Å; S415-D428 PolarHBondContact N-O 3.29Å; S415-D428 PolarHBondContact OG-N 3.34Å; S415-D428 PolarHBondContact OG-O 3.26Å; S415-H451 PolarHBondContact O-CE1 3.19Å; S415-T453 PolarHBondContact O-OG1 3.45Å
416	T	93.3	Very high	91.9	Very high	58 Å²	58	56.8 Å²	56.8	36%	0.356	31%	0.308	S	S	.	.			trans	-135.7	147.7	170.8	61.5	0	0	0	0	110.6	P414 G427	P414-T416 VanDerWaalsContact CB-O 3.3Å; P414-T416 WeakPolarHBondContact CB-O 3.47Å; P414-T416 PolarHBondContact O-N 2.9Å; T416-G427 PolarHBondContact O-N 3.35Å
417	L	92.2	Very high	91.8	Very high	7 Å²	7	57.5 Å²	57.5	4%	0.037	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	111.7	174.8	-169	65.8	0	0	0	108.3	Y243 F246 L424 K426 T453 L457	Y243-L417 HydrophobicContact CD1-CD2 3.68Å; Y243-L417 HydrophobicContact CD1-CG 4.42Å; Y243-L417 HydrophobicContact CE1-CD2 3.5Å; Y243-L417 HydrophobicContact CE1-CG 3.8Å; F246-L417 HydrophobicContact CD1-CD1 4.36Å; F246-L417 HydrophobicContact CD1-CD2 3.57Å; F246-L417 HydrophobicContact CE1-CD1 4.08Å; F246-L417 HydrophobicContact CE1-CD2 3.54Å; F246-L417 HydrophobicContact CE1-CG 4.46Å; F246-L417 HydrophobicContact CE2-CD1 4.35Å; F246-L417 HydrophobicContact CG-CD2 4.4Å; F246-L417 HydrophobicContact CZ-CD1 4.08Å; F246-L417 HydrophobicContact CZ-CD2 4.34Å; L417-L424 HydrophobicContact CD1-CB 4.04Å; L417-L424 HydrophobicContact CD1-CD1 4.27Å; L417-L424 HydrophobicContact CD1-CD2 4.36Å; L417-L424 HydrophobicContact CD1-CG 4.45Å; L417-L424 HydrophobicContact CG-CD2 4.36Å; L417-K426 HydrophobicContact CD1-CG 4.01Å; L417-T453 HydrophobicContact CB-CG2 3.62Å; L417-L457 HydrophobicContact CD2-CD1 4.15Å
418	R	89.5	Confident	91.8	Very high	170 Å²	170	63.9 Å²	63.9	64%	0.642	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.4	147.7	-176	-62.1	-177.5	-176.4	178.1	2.3	110.1	L424 V425	R418-L424 CarbonylContact O-C 3.57Å; R418-L424 WeakPolarHBondContact O-CA 3.32Å; R418-V425 PolarHBondContact N-O 2.82Å; R418-V425 PolarHBondContact O-N 3.15Å
419	L	86.8	Confident	91.9	Very high	49 Å²	49	67.4 Å²	67.4	26%	0.257	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	122.3	172.1	-174.4	73.6	0	0	0	108.2	K239 L242 G421 L424	K239-L419 HydrophobicContact CB-CD2 4.31Å; K239-L419 HydrophobicContact CD-CD2 4.21Å; K239-L419 HydrophobicContact CG-CD2 4.06Å; L242-L419 HydrophobicContact CD2-CD1 3.51Å; L419-G421 WeakPolarHBondContact CG-O 3.42Å; L419-L424 HydrophobicContact CD1-CD2 4.3Å
420	S	86.9	Confident	92	Very high	80 Å²	80	64.5 Å²	64.5	56%	0.559	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.5	112.1	171.4	-170.5	0	0	0	0	108.2	D422 Q423	S420-D422 PolarHBondContact O-N 3.41Å; S420-Q423 PolarHBondContact N-O 3.29Å; S420-Q423 PolarHBondContact O-N 3.08Å
421	G	84.9	Confident	92	Very high	61 Å²	61	67.2 Å²	67.2	63%	0.629	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	-124.4	-166	0	0	0	0	0	110.8	L419	L419-G421 WeakPolarHBondContact CG-O 3.42Å
422	D	86.3	Confident	92	Very high	120 Å²	120	67.2 Å²	67.2	64%	0.642	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	8.8	-179.4	-65.6	-26.4	0	0	0	113.9	F238 S420	F238-D422 HydrophobicContact CE1-CB 3.98Å; F238-D422 HydrophobicContact CZ-CB 3.9Å; S420-D422 PolarHBondContact O-N 3.41Å
423	Q	87.9	Confident	91.9	Very high	150 Å²	150	64 Å²	64	70%	0.701	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.1	148.8	-177.1	-63.7	-170.5	-1.9	0	0	112.7	S420	S420-Q423 PolarHBondContact N-O 3.29Å; S420-Q423 PolarHBondContact O-N 3.08Å
424	L	90	Very high	91.6	Very high	28 Å²	28	68.5 Å²	68.5	15%	0.147	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	113.9	172.1	-68.7	173.6	0	0	0	110	L242 Y243 F246 L417 R418 L419	L242-L424 HydrophobicContact CD2-CD1 4.3Å; L242-L424 HydrophobicContact CD2-CD2 4.01Å; L242-L424 HydrophobicContact CD2-CG 3.63Å; L242-L424 HydrophobicContact CG-CD1 3.9Å; L242-L424 HydrophobicContact CG-CD2 4.42Å; L242-L424 HydrophobicContact CG-CG 3.8Å; Y243-L424 HydrophobicContact CD1-CD2 4.48Å; Y243-L424 HydrophobicContact CD2-CD2 4.32Å; Y243-L424 HydrophobicContact CE1-CD2 4.07Å; Y243-L424 HydrophobicContact CE2-CD2 3.82Å; F246-L424 HydrophobicContact CB-CD1 3.59Å; F246-L424 HydrophobicContact CD2-CD1 4.25Å; F246-L424 HydrophobicContact CG-CD1 3.91Å; L417-L424 HydrophobicContact CD1-CB 4.04Å; L417-L424 HydrophobicContact CD1-CD1 4.27Å; L417-L424 HydrophobicContact CD1-CD2 4.36Å; L417-L424 HydrophobicContact CD1-CG 4.45Å; L417-L424 HydrophobicContact CG-CD2 4.36Å; R418-L424 CarbonylContact O-C 3.57Å; R418-L424 WeakPolarHBondContact O-CA 3.32Å; L419-L424 HydrophobicContact CD1-CD2 4.3Å
425	V	91	Very high	91.4	Very high	79 Å²	79	70.3 Å²	70.3	48%	0.479	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	122.1	168.8	-177.1	0	0	0	0	108.2	R418	R418-V425 PolarHBondContact N-O 2.82Å; R418-V425 PolarHBondContact O-N 3.15Å
426	K	93.3	Very high	91.1	Very high	127 Å²	127	70.7 Å²	70.7	55%	0.552	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.2	132.2	-175.5	-57.5	170.5	-168.5	174.1	0	108.7	F246 P414 L417	F246-K426 HydrophobicContact CE2-CD 3.93Å; F246-K426 HydrophobicContact CE2-CG 4.38Å; P414-K426 HydrophobicContact CB-CB 4.07Å; P414-K426 HydrophobicContact CG-CB 3.94Å; P414-K426 HydrophobicContact CG-CD 4.46Å; P414-K426 HydrophobicContact CG-CG 4.18Å; L417-K426 HydrophobicContact CD1-CG 4.01Å
427	G	93	Very high	90.9	Very high	24 Å²	24	73.3 Å²	73.3	25%	0.247	39%	0.393	C	S	.	.			trans	-81.8	-172.9	166.8	0	0	0	0	0	112.7	T416	T416-G427 PolarHBondContact O-N 3.35Å
428	D	94.4	Very high	90.4	Very high	134 Å²	134	79 Å²	79	72%	0.717	41%	0.414	S	S	*	.			trans	-58.7	148.9	177.5	-57.6	-42	0	0	0	112.7	P414 S415 V430	P414-D428 CarbonylContact C-O 3.5Å; P414-D428 WeakPolarHBondContact CA-O 3.21Å; S415-D428 WeakPolarHBondContact CB-O 3.23Å; S415-D428 PolarHBondContact N-O 3.29Å; S415-D428 PolarHBondContact OG-N 3.34Å; S415-D428 PolarHBondContact OG-O 3.26Å; D428-V430 PolarHBondContact O-N 3.44Å
429	L	95	Very high	89.9	Confident	115 Å²	115	77.2 Å²	77.2	60%	0.602	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	129.2	177.9	-66.4	178.1	0	0	0	111	L412 P414	L412-L429 HydrophobicContact CB-CB 4.29Å; L412-L429 HydrophobicContact CD1-CB 4.41Å; P414-L429 HydrophobicContact CG-CD2 4.22Å
430	V	94.8	Very high	89.1	Confident	37 Å²	37	79 Å²	79	22%	0.224	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	158.9	176.4	-64.1	0	0	0	0	110.1	L412 I413 D428 A432	L412-V430 CarbonylContact C-O 3.49Å; L412-V430 VanDerWaalsContact CA-O 3.32Å; L412-V430 WeakPolarHBondContact CA-O 3.43Å; I413-V430 HydrophobicContact CG2-CG2 4.28Å; I413-V430 PolarHBondContact N-O 2.79Å; I413-V430 WeakPolarHBondContact O-CG2 3.3Å; I413-V430 PolarHBondContact O-N 2.94Å; I413-V430 VanDerWaalsContact O-O 3.08Å; D428-V430 PolarHBondContact O-N 3.44Å; V430-A432 PolarHBondContact O-N 3.28Å
431	P	94.6	Very high	88.4	Confident	62 Å²	62	79 Å²	79	40%	0.403	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	131.1	174.4	-27	36.2	0	0	0	112.3	L412 F433	L412-P431 HydrophobicContact CD2-CG 4.42Å; P431-F433 VanDerWaalsContact CB-O 3.25Å; P431-F433 WeakPolarHBondContact CB-O 3.46Å; P431-F433 PolarHBondContact O-N 3.28Å
432	A	94.9	Very high	87.9	Confident	0 Å²	0	81.4 Å²	81.4	0%	0	45%	0.453	C	S	.	.	S	Bend	trans	-68.1	-25.8	176.3	0	0	0	0	0	112	W254 T411 I413 V430 H451 L454	W254-A432 HydrophobicContact CH2-CB 3.96Å; W254-A432 HydrophobicContact CZ2-CB 3.55Å; T411-A432 VanDerWaalsContact O-CB 3.26Å; T411-A432 WeakPolarHBondContact O-CB 3.31Å; T411-A432 PolarHBondContact O-N 3.03Å; I413-A432 HydrophobicContact CB-CB 4.31Å; I413-A432 HydrophobicContact CG2-CB 4.12Å; V430-A432 PolarHBondContact O-N 3.28Å; A432-H451 WeakPolarHBondContact O-CB 3.33Å; A432-H451 PolarHBondContact O-N 2.74Å; A432-L454 HydrophobicContact CB-CD2 4.25Å
433	F	93.9	Very high	87.2	Confident	1 Å²	1	84.4 Å²	84.4	0%	0.004	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	145.9	173.9	-46.7	-83.7	0	0	0	109.9	V301 L304 I407 L408 T411 P431 L448 R449 L450 L454	V301-F433 HydrophobicContact CG1-CE2 3.92Å; V301-F433 HydrophobicContact CG1-CZ 4Å; V301-F433 HydrophobicContact CG2-CE2 4.28Å; L304-F433 HydrophobicContact CB-CD1 4.22Å; L304-F433 HydrophobicContact CB-CE1 3.49Å; L304-F433 VanDerWaalsContact CB-CE1 3.49Å; L304-F433 HydrophobicContact CB-CZ 3.82Å; L304-F433 HydrophobicContact CD1-CE1 4.35Å; L304-F433 HydrophobicContact CD1-CZ 4.42Å; I407-F433 HydrophobicContact CG2-CD2 4.22Å; I407-F433 HydrophobicContact CG2-CE2 4.46Å; L408-F433 HydrophobicContact CD2-CB 3.85Å; T411-F433 HydrophobicContact CG2-CE2 4.21Å; T411-F433 VanDerWaalsContact OG1-CD2 3.27Å; T411-F433 WeakPolarHBondContact OG1-CD2 3.25Å; P431-F433 VanDerWaalsContact CB-O 3.25Å; P431-F433 WeakPolarHBondContact CB-O 3.46Å; P431-F433 PolarHBondContact O-N 3.28Å; F433-L448 HydrophobicContact CB-CD1 3.94Å; F433-R449 CarbonylContact C-O 3.53Å; F433-R449 VanDerWaalsContact CA-O 3.26Å; F433-R449 WeakPolarHBondContact CA-O 3.37Å; F433-L450 HydrophobicContact CD1-CD1 3.88Å; F433-L450 HydrophobicContact CD1-CG 3.93Å; F433-L450 HydrophobicContact CE1-CD1 3.98Å; F433-L450 HydrophobicContact CE1-CG 3.84Å; F433-L454 HydrophobicContact CE1-CD2 4Å; F433-L454 HydrophobicContact CZ-CD2 4.11Å
434	Y	91.1	Very high	86.8	Confident	93 Å²	93	80.3 Å²	80.3	37%	0.365	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	159.1	176.1	62.3	-82.8	0	0	0	109.7	V436 R449 L450	Y434-V436 HydrophobicContact CD2-CG1 3.77Å; Y434-V436 HydrophobicContact CE2-CG1 3.5Å; Y434-V436 VanDerWaalsContact CE2-CG1 3.5Å; Y434-R449 HydrophobicContact CD1-CB 4.27Å; Y434-R449 HydrophobicContact CD2-CB 4.11Å; Y434-R449 HydrophobicContact CE1-CB 3.78Å; Y434-R449 HydrophobicContact CE2-CB 3.62Å; Y434-R449 HydrophobicContact CE2-CG 4.15Å; Y434-R449 HydrophobicContact CG-CB 4.41Å; Y434-R449 VanDerWaalsContact CZ-CB 3.42Å; Y434-R449 PolarHBondContact N-O 3.24Å; Y434-R449 PolarHBondContact O-N 2.76Å; Y434-L450 WeakPolarHBondContact CE1-O 3.43Å
435	T	90.4	Very high	86.3	Confident	44 Å²	44	81.4 Å²	81.4	27%	0.27	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	141.6	178.7	54.4	0	0	0	0	111.2	M315 E446 E447	M315-T435 HydrophobicContact CE-CG2 4.39Å; M315-T435 HydrophobicContact CG-CG2 4.2Å; M315-T435 HydrophobicContact SD-CG2 3.83Å; T435-E446 HydrophobicContact CG2-CG 4.1Å; T435-E446 PolarHBondContact OG1-OE1 3.28Å; T435-E447 CarbonylContact C-O 3.45Å; T435-E447 WeakPolarHBondContact CA-O 3.47Å
436	V	89.5	Confident	86.1	Confident	46 Å²	46	79.8 Å²	79.8	28%	0.279	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	148.6	173.3	-62	0	0	0	0	110.2	Y434 E446 E447 R449	Y434-V436 HydrophobicContact CD2-CG1 3.77Å; Y434-V436 HydrophobicContact CE2-CG1 3.5Å; Y434-V436 VanDerWaalsContact CE2-CG1 3.5Å; V436-E446 WeakPolarHBondContact O-CA 3.45Å; V436-E447 HydrophobicContact CG2-CB 4.18Å; V436-E447 PolarHBondContact N-O 3.27Å; V436-E447 PolarHBondContact O-N 3.18Å; V436-R449 HydrophobicContact CG1-CG 4.13Å; V436-R449 HydrophobicContact CG2-CG 3.7Å
437	F	87.6	Confident	85.9	Confident	113 Å²	113	74 Å²	74	50%	0.496	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	125.4	171.1	-71.8	-87.4	0	0	0	109.5	A444 Q445 E446	F437-A444 HydrophobicContact CD1-CB 4.17Å; F437-Q445 WeakPolarHBondContact CA-O 3.36Å; F437-E446 HydrophobicContact CD1-CB 4.21Å; F437-E446 HydrophobicContact CE1-CB 3.76Å; F437-E446 HydrophobicContact CE1-CG 4.12Å; F437-E446 HydrophobicContact CE2-CG 4.42Å; F437-E446 HydrophobicContact CZ-CB 4.13Å; F437-E446 HydrophobicContact CZ-CG 3.96Å
438	R	81.9	Confident	85.7	Confident	125 Å²	125	73 Å²	73	47%	0.472	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	130.2	173.8	-174.6	-178	-126.9	175.2	0.9	109.7	I440 Q445 E447	R438-I440 HydrophobicContact CG-CG1 4.38Å; R438-I440 PolarHBondContact O-N 3.46Å; R438-Q445 PolarHBondContact N-O 2.94Å; R438-Q445 PolarHBondContact O-N 2.89Å; R438-E447 VanDerWaalsContact CD-OE1 3.31Å; R438-E447 WeakPolarHBondContact CD-OE1 3.47Å; R438-E447 IonicContact NH1-OE1 3.34Å; R438-E447 IonicContact NH1-OE2 2.75Å
439	D	80	Confident	85.5	Confident	134 Å²	134	68.5 Å²	68.5	72%	0.717	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.1	112.3	173.6	-64.2	-37.2	0	0	0	110
440	I	69.6	Low	85.4	Confident	86 Å²	86	63.6 Å²	63.6	44%	0.441	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	97.6	173.1	-56.9	179.5	0	0	0	107.4	R438 A442 R443 Q445	R438-I440 HydrophobicContact CG-CG1 4.38Å; R438-I440 PolarHBondContact O-N 3.46Å; I440-A442 PolarHBondContact O-N 3.14Å; I440-R443 PolarHBondContact N-O 3.02Å; I440-R443 PolarHBondContact O-N 3.27Å; I440-Q445 HydrophobicContact CD1-CB 4.04Å; I440-Q445 HydrophobicContact CD1-CG 4.43Å; I440-Q445 HydrophobicContact CG1-CB 4.47Å
441	G	72.1	Confident	85.3	Confident	80 Å²	80	63.5 Å²	63.5	83%	0.825	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	-119.9	-173.4	0	0	0	0	0	110.9
442	A	73.9	Confident	85.1	Confident	112 Å²	112	64.2 Å²	64.2	93%	0.926	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	11.7	-179.2	0	0	0	0	0	114.1	I440	I440-A442 PolarHBondContact O-N 3.14Å
443	R	71.5	Confident	85	Confident	183 Å²	183	64.9 Å²	64.9	69%	0.691	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.3	134.4	-175.1	-63.6	-178.3	-177.9	173.1	1.2	111.1	I440	I440-R443 PolarHBondContact N-O 3.02Å; I440-R443 PolarHBondContact O-N 3.27Å
444	A	79.5	Confident	85	Confident	63 Å²	63	64.9 Å²	64.9	52%	0.521	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	124.4	165.4	0	0	0	0	0	109.4	F437	F437-A444 HydrophobicContact CD1-CB 4.17Å
445	Q	80.7	Confident	84.8	Confident	52 Å²	52	61.4 Å²	61.4	24%	0.243	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	129.1	177.5	-177	175.6	-81	0	0	109.9	P314 F437 R438 I440 E447	P314-Q445 HydrophobicContact CB-CG 3.94Å; P314-Q445 HydrophobicContact CG-CG 4.39Å; F437-Q445 WeakPolarHBondContact CA-O 3.36Å; R438-Q445 PolarHBondContact N-O 2.94Å; R438-Q445 PolarHBondContact O-N 2.89Å; I440-Q445 HydrophobicContact CD1-CB 4.04Å; I440-Q445 HydrophobicContact CD1-CG 4.43Å; I440-Q445 HydrophobicContact CG1-CB 4.47Å; Q445-E447 HydrophobicContact CG-CG 4.49Å
446	E	87	Confident	84.7	Confident	45 Å²	45	64.7 Å²	64.7	21%	0.21	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	121.2	172.5	-163	171.2	-144.7	0	0	109.6	M315 T435 V436 F437 R935	M315-E446 HydrophobicContact CB-CB 4.41Å; M315-E446 HydrophobicContact CG-CB 3.93Å; M315-E446 HydrophobicContact CG-CG 3.64Å; M315-E446 PolarHBondContact N-O 3.33Å; T435-E446 HydrophobicContact CG2-CG 4.1Å; T435-E446 PolarHBondContact OG1-OE1 3.28Å; V436-E446 WeakPolarHBondContact O-CA 3.45Å; F437-E446 HydrophobicContact CD1-CB 4.21Å; F437-E446 HydrophobicContact CE1-CB 3.76Å; F437-E446 HydrophobicContact CE1-CG 4.12Å; F437-E446 HydrophobicContact CE2-CG 4.42Å; F437-E446 HydrophobicContact CZ-CB 4.13Å; F437-E446 HydrophobicContact CZ-CG 3.96Å; E446-R935 IonicContact OE1-NH1 3.91Å; E446-R935 PolarHBondContact OE1-NH1 2.93Å; E446-R935 VanDerWaalsContact OE1-NH1 3.1Å
447	E	87.4	Confident	84.7	Confident	6 Å²	6	62.6 Å²	62.6	3%	0.028	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	150.5	179.3	-68	-177.6	179.4	0	0	110.3	T435 V436 R438 Q445 R449	T435-E447 CarbonylContact C-O 3.45Å; T435-E447 WeakPolarHBondContact CA-O 3.47Å; V436-E447 HydrophobicContact CG2-CB 4.18Å; V436-E447 PolarHBondContact N-O 3.27Å; V436-E447 PolarHBondContact O-N 3.18Å; R438-E447 VanDerWaalsContact CD-OE1 3.31Å; R438-E447 WeakPolarHBondContact CD-OE1 3.47Å; R438-E447 IonicContact NH1-OE1 3.34Å; R438-E447 IonicContact NH1-OE2 2.75Å; Q445-E447 HydrophobicContact CG-CG 4.49Å; E447-R449 IonicContact OE2-CZ 3.32Å; E447-R449 IonicContact OE2-NE 3.38Å; E447-R449 IonicContact OE2-NH2 2.66Å; E447-R449 PolarHBondContact OE2-NH2 3.09Å
448	L	90.5	Very high	84.7	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.01	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	140.6	177.4	-173	72.1	0	0	0	111.4	L304 L307 S312 M315 Y318 F404 L408 F433	L304-L448 HydrophobicContact CD1-CD2 3.97Å; L304-L448 HydrophobicContact CD2-CD2 3.5Å; L304-L448 HydrophobicContact CG-CD2 4.25Å; L307-L448 HydrophobicContact CD1-CD2 3.95Å; S312-L448 WeakPolarHBondContact CB-O 3.34Å; S312-L448 PolarHBondContact OG-N 3Å; S312-L448 PolarHBondContact OG-O 3.42Å; M315-L448 HydrophobicContact SD-CB 3.86Å; M315-L448 HydrophobicContact SD-CD1 4.21Å; Y318-L448 HydrophobicContact CD2-CB 4.24Å; Y318-L448 HydrophobicContact CD2-CD2 4.36Å; Y318-L448 HydrophobicContact CE2-CB 3.77Å; Y318-L448 HydrophobicContact CE2-CD2 4.11Å; F404-L448 HydrophobicContact CE1-CD1 3.52Å; F404-L448 HydrophobicContact CE1-CD2 4.33Å; F404-L448 HydrophobicContact CZ-CD1 3.7Å; F404-L448 HydrophobicContact CZ-CD2 3.61Å; F404-L448 HydrophobicContact CZ-CG 4.26Å; L408-L448 HydrophobicContact CD2-CD1 4.35Å; F433-L448 HydrophobicContact CB-CD1 3.94Å
449	R	89.8	Confident	84.6	Confident	40 Å²	40	59.9 Å²	59.9	15%	0.151	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	148	175.2	-64.4	-67.7	174.4	172.5	-9.9	111.1	E309 E310 F433 Y434 V436 E447	E309-R449 PolarHBondContact O-NH1 2.86Å; E310-R449 PolarHBondContact O-NH1 2.89Å; E310-R449 VanDerWaalsContact O-NH1 3.11Å; F433-R449 CarbonylContact C-O 3.53Å; F433-R449 VanDerWaalsContact CA-O 3.26Å; F433-R449 WeakPolarHBondContact CA-O 3.37Å; Y434-R449 HydrophobicContact CD1-CB 4.27Å; Y434-R449 HydrophobicContact CD2-CB 4.11Å; Y434-R449 HydrophobicContact CE1-CB 3.78Å; Y434-R449 HydrophobicContact CE2-CB 3.62Å; Y434-R449 HydrophobicContact CE2-CG 4.15Å; Y434-R449 HydrophobicContact CG-CB 4.41Å; Y434-R449 VanDerWaalsContact CZ-CB 3.42Å; Y434-R449 PolarHBondContact N-O 3.24Å; Y434-R449 PolarHBondContact O-N 2.76Å; V436-R449 HydrophobicContact CG1-CG 4.13Å; V436-R449 HydrophobicContact CG2-CG 3.7Å; E447-R449 IonicContact OE2-CZ 3.32Å; E447-R449 IonicContact OE2-NE 3.38Å; E447-R449 IonicContact OE2-NH2 2.66Å; E447-R449 PolarHBondContact OE2-NH2 3.09Å
450	L	91.8	Very high	84.8	Confident	11 Å²	11	55 Å²	55	6%	0.058	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	143.1	172.2	-81.8	62.9	0	0	0	109.4	L304 L307 F433 Y434 L454 I455	L304-L450 WeakPolarHBondContact O-CD1 3.31Å; L307-L450 HydrophobicContact CB-CD1 3.86Å; L307-L450 HydrophobicContact CD1-CD1 3.84Å; L307-L450 HydrophobicContact CG-CD1 4.39Å; F433-L450 HydrophobicContact CD1-CD1 3.88Å; F433-L450 HydrophobicContact CD1-CG 3.93Å; F433-L450 HydrophobicContact CE1-CD1 3.98Å; F433-L450 HydrophobicContact CE1-CG 3.84Å; Y434-L450 WeakPolarHBondContact CE1-O 3.43Å; L450-L454 HydrophobicContact CB-CD2 4.44Å; L450-L454 HydrophobicContact CD2-CD2 4.06Å; L450-L454 HydrophobicContact CD2-CG 4.35Å; L450-L454 HydrophobicContact CG-CD2 4.02Å; L450-I455 HydrophobicContact CB-CD1 4.1Å; L450-I455 HydrophobicContact CB-CG1 3.74Å; L450-I455 HydrophobicContact CD2-CG1 4.32Å
451	H	93.1	Very high	85.4	Confident	36 Å²	36	51.5 Å²	51.5	17%	0.167	29%	0.286	C	S	.	.			trans	-61.1	136.8	171.3	-165.1	-90.6	0	0	0	110.5	I413 S415 A432 T453 L454 I455	I413-H451 HydrophobicContact CG2-CB 4.13Å; S415-H451 PolarHBondContact O-CE1 3.19Å; A432-H451 WeakPolarHBondContact O-CB 3.33Å; A432-H451 PolarHBondContact O-N 2.74Å; H451-T453 PolarHBondContact CE1-OG1 2.68Å; H451-T453 PolarHBondContact ND1-N 3.43Å; H451-T453 PolarHBondContact ND1-OG1 3.49Å; H451-T453 PolarHBondContact O-N 2.92Å; H451-T453 VanDerWaalsContact O-N 3.09Å; H451-L454 WeakPolarHBondContact O-CA 3.27Å; H451-L454 WeakPolarHBondContact O-CB 3.43Å; H451-L454 PolarHBondContact O-N 3.43Å; H451-I455 PolarHBondContact O-N 2.81Å
452	P	91.2	Very high	85.5	Confident	76 Å²	76	49.3 Å²	49.3	49%	0.494	26%	0.258	S	S	.	.	H	α-helix	trans	-53.4	-34.6	-178.4	-30.1	36.1	0	0	0	114.5	L454 I455 K456	P452-L454 VanDerWaalsContact C-N 3.34Å; P452-L454 PolarHBondContact O-N 3.1Å; P452-I455 PolarHBondContact O-N 2.99Å; P452-K456 PolarHBondContact O-N 2.97Å
453	T	93.2	Very high	85.5	Confident	15 Å²	15	47.1 Å²	47.1	9%	0.092	23%	0.234	C	C	.	.	H	α-helix	trans	-62.1	-40.4	174.6	-53.3	0	0	0	0	112.3	I413 P414 S415 L417 H451 K456 L457	I413-T453 HydrophobicContact CD1-CG2 4.18Å; I413-T453 HydrophobicContact CG1-CG2 4.42Å; P414-T453 WeakPolarHBondContact O-CB 3.42Å; P414-T453 WeakPolarHBondContact O-CG2 3.46Å; P414-T453 PolarHBondContact O-OG1 3.22Å; S415-T453 PolarHBondContact O-OG1 3.45Å; L417-T453 HydrophobicContact CB-CG2 3.62Å; H451-T453 PolarHBondContact CE1-OG1 2.68Å; H451-T453 PolarHBondContact ND1-N 3.43Å; H451-T453 PolarHBondContact ND1-OG1 3.49Å; H451-T453 PolarHBondContact O-N 2.92Å; H451-T453 VanDerWaalsContact O-N 3.09Å; T453-K456 PolarHBondContact O-N 2.92Å; T453-L457 VanDerWaalsContact O-CB 3.3Å; T453-L457 WeakPolarHBondContact O-CB 3.24Å; T453-L457 PolarHBondContact O-N 2.92Å
454	L	92.5	Very high	86	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-66.4	-43.5	177.1	178.3	58.5	0	0	0	110.6	W254 I413 A432 F433 L450 H451 P452 K456 L457 M458	W254-L454 HydrophobicContact CH2-CD1 4Å; W254-L454 HydrophobicContact CH2-CD2 4.24Å; I413-L454 HydrophobicContact CD1-CB 3.77Å; I413-L454 HydrophobicContact CD1-CD1 4.09Å; A432-L454 HydrophobicContact CB-CD2 4.25Å; F433-L454 HydrophobicContact CE1-CD2 4Å; F433-L454 HydrophobicContact CZ-CD2 4.11Å; L450-L454 HydrophobicContact CB-CD2 4.44Å; L450-L454 HydrophobicContact CD2-CD2 4.06Å; L450-L454 HydrophobicContact CD2-CG 4.35Å; L450-L454 HydrophobicContact CG-CD2 4.02Å; H451-L454 WeakPolarHBondContact O-CA 3.27Å; H451-L454 WeakPolarHBondContact O-CB 3.43Å; H451-L454 PolarHBondContact O-N 3.43Å; P452-L454 VanDerWaalsContact C-N 3.34Å; P452-L454 PolarHBondContact O-N 3.1Å; L454-K456 VanDerWaalsContact C-N 3.32Å; L454-K456 PolarHBondContact O-N 2.97Å; L454-L457 HydrophobicContact CD1-CD2 4.48Å; L454-L457 WeakPolarHBondContact O-CB 3.32Å; L454-L457 PolarHBondContact O-N 3.06Å; L454-L457 VanDerWaalsContact O-N 3.16Å; L454-M458 HydrophobicContact CD1-CG 3.94Å; L454-M458 HydrophobicContact CD1-SD 4.32Å; L454-M458 HydrophobicContact CG-CG 4.3Å; L454-M458 VanDerWaalsContact O-CG 3.31Å; L454-M458 WeakPolarHBondContact O-CG 3.26Å; L454-M458 PolarHBondContact O-N 2.95Å
455	I	88.4	Confident	86.4	Confident	21 Å²	21	42 Å²	42	11%	0.108	21%	0.212	C	C	.	.	H	α-helix	trans	-57.6	-47.5	176.4	-60.2	174.3	0	0	0	110.3	E309 L450 H451 P452 L457 M458 R459	E309-I455 HydrophobicContact CB-CD1 4.08Å; E309-I455 HydrophobicContact CG-CD1 3.79Å; L450-I455 HydrophobicContact CB-CD1 4.1Å; L450-I455 HydrophobicContact CB-CG1 3.74Å; L450-I455 HydrophobicContact CD2-CG1 4.32Å; H451-I455 PolarHBondContact O-N 2.81Å; P452-I455 PolarHBondContact O-N 2.99Å; I455-L457 VanDerWaalsContact C-N 3.35Å; I455-L457 PolarHBondContact O-N 3.38Å; I455-M458 PolarHBondContact O-N 3.27Å; I455-R459 WeakPolarHBondContact O-CB 3.18Å; I455-R459 WeakPolarHBondContact O-CG 3.27Å; I455-R459 PolarHBondContact O-N 2.78Å
456	K	87.2	Confident	86.8	Confident	112 Å²	112	41 Å²	41	49%	0.487	21%	0.208	S	C	.	.	H	α-helix	trans	-62.7	-41.2	177.3	-172.9	-178.9	179	-173.2	0	112	P452 T453 L454 T460	P452-K456 PolarHBondContact O-N 2.97Å; T453-K456 PolarHBondContact O-N 2.92Å; L454-K456 VanDerWaalsContact C-N 3.32Å; L454-K456 PolarHBondContact O-N 2.97Å; K456-T460 WeakPolarHBondContact O-CB 3.35Å; K456-T460 PolarHBondContact O-N 3.33Å; K456-T460 PolarHBondContact O-OG1 3.11Å
457	L	89.4	Confident	86.8	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-61.7	-51.3	177	178.2	61.8	0	0	0	111	Y243 F246 L247 I413 L417 T453 L454 I455 R459 T460 V461	Y243-L457 HydrophobicContact CD1-CD1 3.67Å; Y243-L457 HydrophobicContact CG-CD1 4.33Å; F246-L457 HydrophobicContact CD1-CD1 4.09Å; F246-L457 HydrophobicContact CD1-CD2 4Å; F246-L457 HydrophobicContact CE1-CD2 4.01Å; L247-L457 HydrophobicContact CB-CD1 4.2Å; L247-L457 HydrophobicContact CB-CD2 4.11Å; L247-L457 HydrophobicContact CB-CG 4.24Å; L247-L457 HydrophobicContact CD1-CD2 3.65Å; L247-L457 HydrophobicContact CD1-CG 4.13Å; L247-L457 HydrophobicContact CG-CD2 4.43Å; I413-L457 HydrophobicContact CD1-CD2 4.11Å; L417-L457 HydrophobicContact CD2-CD1 4.15Å; T453-L457 VanDerWaalsContact O-CB 3.3Å; T453-L457 WeakPolarHBondContact O-CB 3.24Å; T453-L457 PolarHBondContact O-N 2.92Å; L454-L457 HydrophobicContact CD1-CD2 4.48Å; L454-L457 WeakPolarHBondContact O-CB 3.32Å; L454-L457 PolarHBondContact O-N 3.06Å; L454-L457 VanDerWaalsContact O-N 3.16Å; I455-L457 VanDerWaalsContact C-N 3.35Å; I455-L457 PolarHBondContact O-N 3.38Å; L457-R459 VanDerWaalsContact C-N 3.34Å; L457-R459 PolarHBondContact O-N 3Å; L457-T460 PolarHBondContact O-N 3.33Å; L457-T460 VanDerWaalsContact O-N 3.11Å; L457-V461 HydrophobicContact CD1-CG2 4.14Å; L457-V461 WeakPolarHBondContact O-CG2 3.47Å; L457-V461 PolarHBondContact O-N 2.92Å
458	M	87.2	Confident	87	Confident	29 Å²	29	43.5 Å²	43.5	14%	0.143	22%	0.222	C	C	.	.	H	α-helix	trans	-60.3	-41.6	179.3	-68	-56	-64.1	0	0	112.1	L247 C305 L454 I455 S462 P463	L247-M458 HydrophobicContact CD1-SD 4.16Å; L247-M458 HydrophobicContact CD2-SD 3.92Å; C305-M458 HydrophobicContact CB-CE 3.89Å; C305-M458 HydrophobicContact CB-CG 4.35Å; C305-M458 HydrophobicContact CB-SD 4.02Å; L454-M458 HydrophobicContact CD1-CG 3.94Å; L454-M458 HydrophobicContact CD1-SD 4.32Å; L454-M458 HydrophobicContact CG-CG 4.3Å; L454-M458 VanDerWaalsContact O-CG 3.31Å; L454-M458 WeakPolarHBondContact O-CG 3.26Å; L454-M458 PolarHBondContact O-N 2.95Å; I455-M458 PolarHBondContact O-N 3.27Å; M458-S462 PolarHBondContact O-N 3.41Å; M458-P463 HydrophobicContact CE-CG 3.65Å
459	R	81	Confident	86.9	Confident	152 Å²	152	46.2 Å²	46.2	57%	0.574	24%	0.235	S	C	*	.	H	α-helix	trans	-61.7	-42.3	173.7	-75.2	178.1	174.9	152.5	5.7	112.4	E309 I455 L457 S462	E309-R459 IonicContact OE2-CZ 3.14Å; E309-R459 IonicContact OE2-NH1 3.85Å; E309-R459 PolarHBondContact OE2-NH1 2.94Å; E309-R459 VanDerWaalsContact OE2-NH1 3.14Å; E309-R459 IonicContact OE2-NH2 2.81Å; E309-R459 PolarHBondContact OE2-NH2 3.44Å; I455-R459 WeakPolarHBondContact O-CB 3.18Å; I455-R459 WeakPolarHBondContact O-CG 3.27Å; I455-R459 PolarHBondContact O-N 2.78Å; L457-R459 VanDerWaalsContact C-N 3.34Å; L457-R459 PolarHBondContact O-N 3Å; R459-S462 PolarHBondContact O-OG 3.38Å
460	T	83.2	Confident	87.1	Confident	33 Å²	33	44.6 Å²	44.6	20%	0.202	23%	0.23	C	C	.	.	H	α-helix	trans	-69	-41.6	-178.1	-54.7	0	0	0	0	111.7	Y243 K456 L457	Y243-T460 HydrophobicContact CD1-CG2 4.41Å; Y243-T460 HydrophobicContact CD2-CG2 3.86Å; Y243-T460 HydrophobicContact CG-CG2 3.85Å; K456-T460 WeakPolarHBondContact O-CB 3.35Å; K456-T460 PolarHBondContact O-N 3.33Å; K456-T460 PolarHBondContact O-OG1 3.11Å; L457-T460 PolarHBondContact O-N 3.33Å; L457-T460 VanDerWaalsContact O-N 3.11Å
461	V	82.6	Confident	87.1	Confident	12 Å²	12	45.4 Å²	45.4	7%	0.073	24%	0.235	C	C	.	.	H	α-helix	trans	-71.9	-41.8	179.6	167.5	0	0	0	0	111.5	R240 E244 L247 L457	R240-V461 PolarHBondContact NE-O 2.86Å; R240-V461 PolarHBondContact NH2-O 2.95Å; R240-V461 VanDerWaalsContact NH2-O 3.09Å; E244-V461 HydrophobicContact CG-CB 4.16Å; E244-V461 HydrophobicContact CG-CG1 3.7Å; E244-V461 HydrophobicContact CG-CG2 3.88Å; L247-V461 HydrophobicContact CB-CG2 4.21Å; L247-V461 HydrophobicContact CD2-CB 4.09Å; L247-V461 HydrophobicContact CD2-CG1 3.87Å; L247-V461 HydrophobicContact CD2-CG2 3.92Å; L457-V461 HydrophobicContact CD1-CG2 4.14Å; L457-V461 WeakPolarHBondContact O-CG2 3.47Å; L457-V461 PolarHBondContact O-N 2.92Å
462	S	74.9	Confident	87.1	Confident	33 Å²	33	44.5 Å²	44.5	23%	0.231	23%	0.234	C	C	.	.			trans	50.4	81.8	-175.3	-71.3	0	0	0	0	112.1	M458 R459 T464	M458-S462 PolarHBondContact O-N 3.41Å; R459-S462 PolarHBondContact O-OG 3.38Å; S462-T464 PolarHBondContact O-N 3.19Å
463	P	74.1	Confident	87.4	Confident	66 Å²	66	40.9 Å²	40.9	43%	0.429	21%	0.21	S	C	.	.			trans	-50.1	134.2	-174.9	-27.2	34	0	0	0	113.4	M458 H465	M458-P463 HydrophobicContact CE-CG 3.65Å; P463-H465 VanDerWaalsContact C-N 3.29Å; P463-H465 PolarHBondContact O-N 3.33Å
464	T	81	Confident	87.7	Confident	65 Å²	65	40.3 Å²	40.3	40%	0.399	21%	0.207	S	C	.	.	S	Bend	trans	-80.2	-11.9	-179.6	52.3	0	0	0	0	113.5	S221 S462	S221-T464 PolarHBondContact N-O 3.12Å; S462-T464 PolarHBondContact O-N 3.19Å
465	H	87.7	Confident	87.9	Confident	75 Å²	75	40.3 Å²	40.3	35%	0.347	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	152.1	-177.3	-61.8	78.1	0	0	0	110.8	K218 V219 P463	K218-H465 HydrophobicContact CD-CB 4.38Å; K218-H465 HydrophobicContact CG-CB 3.82Å; V219-H465 CarbonylContact O-C 3.6Å; V219-H465 WeakPolarHBondContact O-CA 3.43Å; V219-H465 WeakPolarHBondContact O-CB 3.26Å; P463-H465 VanDerWaalsContact C-N 3.29Å; P463-H465 PolarHBondContact O-N 3.33Å
466	I	88.9	Confident	88.3	Confident	29 Å²	29	39.4 Å²	39.4	15%	0.149	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	128.2	177.7	-52.2	169.1	0	0	0	106.2	V219 F468 L607 Y608	V219-I466 PolarHBondContact N-O 3.41Å; V219-I466 PolarHBondContact O-N 3.16Å; I466-F468 HydrophobicContact CB-CE2 3.79Å; I466-F468 HydrophobicContact CB-CZ 4.21Å; I466-F468 HydrophobicContact CG2-CD2 4.17Å; I466-F468 HydrophobicContact CG2-CE1 4.22Å; I466-F468 HydrophobicContact CG2-CE2 3.51Å; I466-F468 HydrophobicContact CG2-CZ 3.53Å; I466-L607 HydrophobicContact CD1-CD1 4.49Å; I466-L607 HydrophobicContact CD1-CD2 4.02Å; I466-L607 HydrophobicContact CD1-CG 3.95Å; I466-Y608 HydrophobicContact CD1-CD1 3.97Å; I466-Y608 HydrophobicContact CD1-CE1 4.11Å; I466-Y608 HydrophobicContact CG2-CD1 4.29Å; I466-Y608 HydrophobicContact CG2-CE1 3.99Å
467	N	88.8	Confident	88.8	Confident	91 Å²	91	34.1 Å²	34.1	49%	0.487	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	128.4	177.2	-67.6	-17.3	0	0	0	109.2	V217	V217-N467 WeakPolarHBondContact O-CA 3.33Å
468	F	91.1	Very high	89.1	Confident	13 Å²	13	34 Å²	34	6%	0.057	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	152.1	175.5	-66.6	-84.8	0	0	0	110.7	F216 V217 V219 I466 A472 V473 Y608 V612 H639	F216-F468 CarbonylContact C-O 3.52Å; F216-F468 WeakPolarHBondContact CA-O 3.24Å; V217-F468 PolarHBondContact N-O 3.04Å; V217-F468 PolarHBondContact O-N 3.29Å; V219-F468 HydrophobicContact CB-CD2 3.87Å; V219-F468 HydrophobicContact CB-CE2 3.75Å; V219-F468 HydrophobicContact CG1-CE2 4.11Å; V219-F468 HydrophobicContact CG2-CD2 3.61Å; V219-F468 HydrophobicContact CG2-CE2 3.9Å; I466-F468 HydrophobicContact CB-CE2 3.79Å; I466-F468 HydrophobicContact CB-CZ 4.21Å; I466-F468 HydrophobicContact CG2-CD2 4.17Å; I466-F468 HydrophobicContact CG2-CE1 4.22Å; I466-F468 HydrophobicContact CG2-CE2 3.51Å; I466-F468 HydrophobicContact CG2-CZ 3.53Å; F468-A472 HydrophobicContact CB-CB 4.44Å; F468-A472 HydrophobicContact CD1-CB 4.46Å; F468-V473 HydrophobicContact CB-CG1 3.64Å; F468-V473 HydrophobicContact CD1-CG1 4.4Å; F468-V473 HydrophobicContact CD2-CG1 4.22Å; F468-V473 HydrophobicContact CG-CG1 3.84Å; F468-Y608 HydrophobicContact CE1-CD1 4.33Å; F468-Y608 HydrophobicContact CE1-CD2 4.49Å; F468-Y608 HydrophobicContact CE1-CG 4.11Å; F468-Y608 AromaticContact CZ-CD1 3.95Å; F468-Y608 HydrophobicContact CZ-CD1 3.95Å; F468-Y608 HydrophobicContact CZ-CG 4.06Å; F468-V612 HydrophobicContact CD2-CG2 4.41Å; F468-V612 HydrophobicContact CE1-CG2 4.4Å; F468-V612 HydrophobicContact CE2-CG2 3.94Å; F468-V612 HydrophobicContact CZ-CG2 3.94Å; F468-H639 AromaticContact CD1-CD2 3.89Å; F468-H639 AromaticContact CE1-CD2 3.61Å; F468-H639 AromaticContact CE1-NE2 3.75Å
469	E	88.9	Confident	89.5	Confident	59 Å²	59	33 Å²	33	28%	0.276	17%	0.174	S	C	.	.			trans	-70.6	147.7	165.2	-68.9	171.5	-149.7	0	0	109	K303 T471 A472	K303-E469 IonicContact NZ-OE1 2.9Å; K303-E469 PolarHBondContact NZ-OE1 2.8Å; E469-T471 PolarHBondContact O-N 3.31Å; E469-T471 VanDerWaalsContact O-N 3.09Å; E469-A472 HydrophobicContact CB-CB 4.34Å; E469-A472 WeakPolarHBondContact O-CA 3.39Å; E469-A472 WeakPolarHBondContact O-CB 3.33Å; E469-A472 PolarHBondContact O-N 3.19Å
470	P	92.7	Very high	90.2	Very high	7 Å²	7	26 Å²	26	5%	0.045	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-55	-30.6	179.3	-30.4	36.8	0	0	0	113.8	I211 E212 G215 A472 V473	I211-P470 HydrophobicContact CG2-CB 3.94Å; I211-P470 HydrophobicContact CG2-CG 4.16Å; I211-P470 WeakPolarHBondContact O-CG 3.16Å; E212-P470 HydrophobicContact CG-CB 4.14Å; G215-P470 VanDerWaalsContact C-CD 3.48Å; G215-P470 WeakPolarHBondContact O-CD 3.11Å; P470-A472 VanDerWaalsContact C-N 3.31Å; P470-V473 WeakPolarHBondContact O-CG2 3.22Å
471	T	92.8	Very high	90.7	Very high	28 Å²	28	24.6 Å²	24.6	17%	0.172	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-80.1	-11	177.4	57.2	0	0	0	0	113.8	E469 Y490 V495 P637	E469-T471 PolarHBondContact O-N 3.31Å; E469-T471 VanDerWaalsContact O-N 3.09Å; T471-Y490 WeakPolarHBondContact CA-OH 3.46Å; T471-Y490 HydrophobicContact CG2-CD1 4.44Å; T471-Y490 HydrophobicContact CG2-CD2 4.14Å; T471-Y490 HydrophobicContact CG2-CE1 4.13Å; T471-Y490 HydrophobicContact CG2-CE2 3.83Å; T471-Y490 HydrophobicContact CG2-CG 4.44Å; T471-Y490 PolarHBondContact O-OH 3.42Å; T471-V495 HydrophobicContact CG2-CG1 4.08Å; T471-P637 WeakPolarHBondContact O-CA 3.2Å
472	A	93.2	Very high	91.2	Very high	16 Å²	16	24 Å²	24	13%	0.132	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-91.4	-3.3	178.6	0	0	0	0	0	113.4	F468 E469 P470 P638	F468-A472 HydrophobicContact CB-CB 4.44Å; F468-A472 HydrophobicContact CD1-CB 4.46Å; E469-A472 HydrophobicContact CB-CB 4.34Å; E469-A472 WeakPolarHBondContact O-CA 3.39Å; E469-A472 WeakPolarHBondContact O-CB 3.33Å; E469-A472 PolarHBondContact O-N 3.19Å; P470-A472 VanDerWaalsContact C-N 3.31Å; A472-P638 HydrophobicContact CB-CG 4.48Å
473	V	97.3	Very high	91.8	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.006	13%	0.128	C	C	.	.	S	Bend	trans	-127.3	160.3	179.4	-67	0	0	0	0	110.7	V217 F468 P470 V612 Y616 P637	V217-V473 HydrophobicContact CB-CG2 4.25Å; V217-V473 HydrophobicContact CG2-CG2 3.81Å; F468-V473 HydrophobicContact CB-CG1 3.64Å; F468-V473 HydrophobicContact CD1-CG1 4.4Å; F468-V473 HydrophobicContact CD2-CG1 4.22Å; F468-V473 HydrophobicContact CG-CG1 3.84Å; P470-V473 WeakPolarHBondContact O-CG2 3.22Å; V473-V612 HydrophobicContact CG1-CG1 4.39Å; V473-V612 HydrophobicContact CG1-CG2 4.05Å; V473-Y616 HydrophobicContact CB-CE2 4.03Å; V473-Y616 WeakPolarHBondContact CG2-OH 3.5Å; V473-P637 VanDerWaalsContact O-CG 3.31Å; V473-P637 WeakPolarHBondContact O-CG 3.49Å
474	P	98.1	Very high	92.3	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.013	11%	0.109	C	C	.	.			trans	-59.8	152.8	175.5	-17.6	28.7	0	0	0	112.5	V612 Y616 I621 F623	P474-V612 HydrophobicContact CG-CG1 4.24Å; P474-Y616 HydrophobicContact CG-CD2 4.27Å; P474-Y616 HydrophobicContact CG-CE2 4.41Å; P474-I621 HydrophobicContact CB-CB 3.72Å; P474-I621 HydrophobicContact CB-CD1 4.05Å; P474-I621 HydrophobicContact CB-CG1 4.33Å; P474-I621 HydrophobicContact CB-CG2 4.08Å; P474-I621 HydrophobicContact CG-CD1 3.98Å; P474-F623 HydrophobicContact CB-CD1 4.42Å; P474-F623 HydrophobicContact CB-CE1 3.99Å; P474-F623 HydrophobicContact CG-CE1 3.77Å; P474-F623 HydrophobicContact CG-CZ 4.4Å
475	M	98.1	Very high	92.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-79.2	153.2	169.4	-69.6	-177.1	72.1	0	0	110.5	Q208 P479 Y490 L491 I621 W622 P624	Q208-M475 HydrophobicContact CG-CE 3.69Å; M475-P479 HydrophobicContact SD-CB 4.04Å; M475-P479 HydrophobicContact SD-CG 4Å; M475-Y490 HydrophobicContact CE-CD1 4.35Å; M475-Y490 HydrophobicContact CG-CD1 3.94Å; M475-Y490 HydrophobicContact CG-CE1 3.73Å; M475-Y490 HydrophobicContact SD-CD1 3.73Å; M475-Y490 HydrophobicContact SD-CE1 3.96Å; M475-Y490 HydrophobicContact SD-CG 4.29Å; M475-L491 HydrophobicContact CE-CG 4.42Å; M475-I621 CarbonylContact O-C 3.55Å; M475-I621 VanDerWaalsContact O-CA 3.27Å; M475-I621 WeakPolarHBondContact O-CA 3.46Å; M475-W622 HydrophobicContact CB-CB 4.33Å; M475-W622 PolarHBondContact N-O 3.28Å; M475-W622 PolarHBondContact O-N 3.07Å; M475-P624 HydrophobicContact CG-CG 3.8Å; M475-P624 HydrophobicContact SD-CG 3.32Å; M475-P624 WeakPolarHBondContact SD-CG 3.5Å
476	V	97.2	Very high	92	Very high	3 Å²	3	21 Å²	21	2%	0.018	11%	0.109	C	C	.	.	S	Bend	trans	-106.3	8.4	175.7	-61.2	0	0	0	0	113.7	A204 R207 Q208 I211 Y616 W622	A204-V476 VanDerWaalsContact CB-O 3.28Å; A204-V476 WeakPolarHBondContact CB-O 3.2Å; R207-V476 HydrophobicContact CB-CG2 4.28Å; R207-V476 HydrophobicContact CG-CG2 4.11Å; Q208-V476 HydrophobicContact CB-CG2 3.94Å; I211-V476 HydrophobicContact CD1-CG2 4.28Å; V476-Y616 HydrophobicContact CG1-CD1 3.8Å; V476-Y616 HydrophobicContact CG1-CE1 3.41Å; V476-Y616 VanDerWaalsContact CG1-CE1 3.41Å; V476-W622 VanDerWaalsContact O-CZ3 3.22Å; V476-W622 WeakPolarHBondContact O-CZ3 3.46Å
477	C	96.9	Very high	91.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	-137.3	162.2	167.3	75.4	0	0	0	0	109.6	A204 Q208 W622	A204-C477 HydrophobicContact CB-CB 3.83Å; Q208-C477 HydrophobicContact CB-CB 4.34Å; C477-W622 VanDerWaalsContact CA-CZ3 3.43Å
478	P	95.8	Very high	90.2	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.	P	Polyproline II helix	trans	-50.4	134.8	169.5	-27.9	33.5	0	0	0	112.2	L201 Y348 F355 W622	L201-P478 HydrophobicContact CD2-CG 3.86Å; Y348-P478 WeakPolarHBondContact CE2-O 3.31Å; Y348-P478 VanDerWaalsContact OH-CD 3.24Å; Y348-P478 WeakPolarHBondContact OH-CD 3.25Å; Y348-P478 PolarHBondContact OH-O 3.1Å; Y348-P478 VanDerWaalsContact OH-O 3.05Å; F355-P478 HydrophobicContact CD1-CG 4.25Å; F355-P478 HydrophobicContact CD2-CB 4.4Å; F355-P478 HydrophobicContact CD2-CG 4.19Å; F355-P478 HydrophobicContact CE1-CB 3.95Å; F355-P478 HydrophobicContact CE1-CG 4.01Å; F355-P478 HydrophobicContact CE2-CB 3.65Å; F355-P478 HydrophobicContact CE2-CG 3.92Å; F355-P478 HydrophobicContact CG-CG 4.35Å; F355-P478 HydrophobicContact CZ-CB 3.4Å; F355-P478 HydrophobicContact CZ-CG 3.85Å; P478-W622 VanDerWaalsContact CD-CZ2 3.43Å; P478-W622 HydrophobicContact CG-CH2 4.41Å; P478-W622 HydrophobicContact CG-CZ2 3.67Å
479	P	95.9	Very high	89.8	Confident	8 Å²	8	15.4 Å²	15.4	5%	0.052	8%	0.081	C	C	.	.	P	Polyproline II helix	trans	-64.3	154.2	176.5	-22.6	34.1	0	0	0	112.4	M475 Y489 W622 P624	M475-P479 HydrophobicContact SD-CB 4.04Å; M475-P479 HydrophobicContact SD-CG 4Å; P479-Y489 WeakPolarHBondContact CA-O 3.43Å; P479-Y489 HydrophobicContact CB-CD1 3.68Å; P479-Y489 HydrophobicContact CB-CE1 3.98Å; P479-Y489 WeakPolarHBondContact CB-O 3.42Å; P479-Y489 HydrophobicContact CG-CD1 4.33Å; P479-Y489 HydrophobicContact CG-CE1 4.41Å; P479-W622 HydrophobicContact CG-CB 4Å; P479-P624 HydrophobicContact CG-CG 4.18Å
480	V	94.6	Very high	89.9	Confident	5 Å²	5	12.9 Å²	12.9	3%	0.03	7%	0.069	C	C	.	.	B	Isolated β-bridge	trans	-69.7	123.8	165.4	170.6	0	0	0	0	107.9	V344 Y348 W370 Y489 L491	V344-V480 HydrophobicContact CG1-CG2 4.33Å; Y348-V480 HydrophobicContact CD2-CG2 4.15Å; W370-V480 HydrophobicContact CD2-CG1 4.39Å; W370-V480 HydrophobicContact CE3-CG1 4.36Å; W370-V480 HydrophobicContact CH2-CB 4.43Å; W370-V480 HydrophobicContact CH2-CG1 3.69Å; W370-V480 HydrophobicContact CH2-CG2 3.92Å; W370-V480 HydrophobicContact CZ2-CG1 3.69Å; W370-V480 HydrophobicContact CZ3-CG1 4.03Å; W370-V480 HydrophobicContact CZ3-CG2 4.12Å; V480-Y489 PolarHBondContact N-O 3.17Å; V480-Y489 WeakPolarHBondContact O-CA 3.25Å; V480-Y489 PolarHBondContact O-N 3.38Å; V480-L491 HydrophobicContact CG2-CD2 3.76Å
481	P	94.2	Very high	89.9	Confident	3 Å²	3	12.5 Å²	12.5	2%	0.019	7%	0.067	C	C	.	.	P	Polyproline II helix	trans	-63	145.3	-176.5	24.5	-32.4	0	0	0	111.8	Y351 H366 W370 H483 N528	Y351-P481 HydrophobicContact CE2-CG 4.18Å; H366-P481 HydrophobicContact CB-CB 3.91Å; H366-P481 HydrophobicContact CB-CG 4.35Å; W370-P481 HydrophobicContact CB-CG 3.54Å; W370-P481 HydrophobicContact CD2-CG 4.07Å; W370-P481 HydrophobicContact CE3-CG 4.17Å; W370-P481 HydrophobicContact CG-CG 3.81Å; P481-H483 PolarHBondContact O-N 3.39Å; P481-H483 VanDerWaalsContact O-N 3.16Å; P481-H483 PolarHBondContact O-ND1 3.02Å; P481-N528 VanDerWaalsContact CA-OD1 3.23Å; P481-N528 WeakPolarHBondContact CA-OD1 3.46Å; P481-N528 HydrophobicContact CB-CB 4.44Å; P481-N528 WeakPolarHBondContact CB-OD1 3.46Å
482	W	92.7	Very high	89.7	Confident	1 Å²	1	11.4 Å²	11.4	0%	0.004	6%	0.06	C	C	.	.	P	Polyproline II helix	trans	-52.8	121.1	159.4	-76.7	126.7	0	0	0	107	T487 Y489 V495 F497 I524 L527 N528 H625 N626	W482-T487 WeakPolarHBondContact CZ3-O 3.48Å; W482-Y489 HydrophobicContact CB-CD2 4.39Å; W482-Y489 HydrophobicContact CB-CE2 3.87Å; W482-Y489 AromaticContact CD1-CD2 3.43Å; W482-Y489 VanDerWaalsContact CD1-CD2 3.43Å; W482-Y489 AromaticContact CD1-CE2 2.81Å; W482-Y489 AromaticContact CD1-CZ 3.58Å; W482-Y489 AromaticContact CD2-CD2 3.51Å; W482-Y489 HydrophobicContact CD2-CD2 3.51Å; W482-Y489 AromaticContact CD2-CE2 3.72Å; W482-Y489 HydrophobicContact CD2-CE2 3.72Å; W482-Y489 AromaticContact CE2-CD2 3.21Å; W482-Y489 AromaticContact CE2-CE2 3.55Å; W482-Y489 HydrophobicContact CE3-CD2 4.39Å; W482-Y489 AromaticContact CG-CD2 3.53Å; W482-Y489 HydrophobicContact CG-CD2 3.53Å; W482-Y489 AromaticContact CG-CE2 3.19Å; W482-Y489 HydrophobicContact CG-CE2 3.19Å; W482-Y489 AromaticContact CZ2-CD2 3.83Å; W482-Y489 HydrophobicContact CZ2-CD2 3.83Å; W482-Y489 HydrophobicContact CZ2-CG 4.42Å; W482-Y489 AromaticContact NE1-CD2 3.11Å; W482-Y489 AromaticContact NE1-CE2 2.93Å; W482-Y489 AromaticContact NE1-CZ 3.62Å; W482-V495 HydrophobicContact CH2-CG2 4.21Å; W482-V495 WeakPolarHBondContact CH2-O 3.39Å; W482-V495 HydrophobicContact CZ2-CG2 4.14Å; W482-F497 AromaticContact CD2-CD2 3.72Å; W482-F497 HydrophobicContact CD2-CD2 3.72Å; W482-F497 HydrophobicContact CD2-CE2 4.3Å; W482-F497 AromaticContact CE2-CD2 3.84Å; W482-F497 AromaticContact CE3-CD2 3.92Å; W482-F497 HydrophobicContact CE3-CD2 3.92Å; W482-F497 HydrophobicContact CG-CD2 4.15Å; W482-F497 HydrophobicContact CG-CE2 4.25Å; W482-F497 HydrophobicContact CH2-CB 4.02Å; W482-F497 HydrophobicContact CH2-CD2 4.41Å; W482-F497 HydrophobicContact CZ2-CB 4.44Å; W482-F497 HydrophobicContact CZ2-CD2 4.24Å; W482-F497 HydrophobicContact CZ3-CB 4.04Å; W482-F497 HydrophobicContact CZ3-CD2 4.24Å; W482-I524 HydrophobicContact CB-CB 4.32Å; W482-I524 HydrophobicContact CB-CG1 4.21Å; W482-I524 HydrophobicContact CB-CG2 3.68Å; W482-I524 WeakPolarHBondContact O-CG2 3.25Å; W482-L527 VanDerWaalsContact CD1-CD1 3.49Å; W482-N528 PolarHBondContact N-OD1 2.88Å; W482-N528 PolarHBondContact O-ND2 2.67Å; W482-H625 PolarHBondContact NE1-O 2.51Å; W482-N626 HydrophobicContact CZ2-CB 4.19Å
483	H	88.3	Confident	89.3	Confident	13 Å²	13	12 Å²	12	6%	0.06	6%	0.063	C	C	.	.			trans	-132.7	0.7	174.4	57.4	-83.8	0	0	0	111.7	R367 W370 Q371 V384 P481	R367-H483 HydrophobicContact CG-CB 4.23Å; W370-H483 AromaticContact CD1-CG 3.65Å; W370-H483 AromaticContact CD1-ND1 3.68Å; W370-H483 AromaticContact NE1-CD2 3.87Å; W370-H483 AromaticContact NE1-CE1 3.44Å; W370-H483 PolarHBondContact NE1-CE1 3.17Å; W370-H483 AromaticContact NE1-CG 3.7Å; W370-H483 AromaticContact NE1-ND1 3.43Å; W370-H483 PolarHBondContact NE1-ND1 3.42Å; W370-H483 AromaticContact NE1-NE2 3.72Å; Q371-H483 HydrophobicContact CG-CB 4.35Å; V384-H483 WeakPolarHBondContact CG2-NE2 3.33Å; P481-H483 PolarHBondContact O-N 3.39Å; P481-H483 VanDerWaalsContact O-N 3.16Å; P481-H483 PolarHBondContact O-ND1 3.02Å
484	S	85.2	Confident	88.5	Confident	3 Å²	3	15.2 Å²	15.2	2%	0.021	8%	0.078	C	C	.	.	S	Bend	trans	-157.1	161.3	173.6	169	0	0	0	0	107.5	K486 E517	S484-K486 PolarHBondContact O-N 3.37Å; S484-K486 PolarHBondContact OG-N 3.39Å; S484-E517 WeakPolarHBondContact CB-OE1 3.48Å; S484-E517 PolarHBondContact OG-OE1 2.95Å
485	T	84.5	Confident	88	Confident	32 Å²	32	16.3 Å²	16.3	20%	0.196	9%	0.085	C	C	.	.	S	Bend	trans	-76.7	-7.2	172.9	57.9	0	0	0	0	113.3	F497 I515 V520	T485-F497 HydrophobicContact CG2-CD1 3.88Å; T485-F497 HydrophobicContact CG2-CE1 3.98Å; T485-F497 HydrophobicContact CG2-CG 4.42Å; T485-F497 WeakPolarHBondContact O-CB 3.48Å; T485-I515 HydrophobicContact CG2-CG2 4.23Å; T485-V520 HydrophobicContact CG2-CG2 3.72Å
486	K	78	Confident	87.4	Confident	127 Å²	127	20.2 Å²	20.2	55%	0.552	11%	0.11	S	C	*	.	S	Bend	trans	-102.2	-20.3	-170.9	-61.8	174.7	-175.3	167.5	0	114.5	V385 S484	V385-K486 HydrophobicContact CG1-CB 3.72Å; V385-K486 HydrophobicContact CG1-CD 4.05Å; S484-K486 PolarHBondContact O-N 3.37Å; S484-K486 PolarHBondContact OG-N 3.39Å
487	T	72.6	Confident	87	Confident	10 Å²	10	20.5 Å²	20.5	6%	0.061	11%	0.111	C	C	.	.	S	Bend	trans	-147	147.6	-178.6	-166.2	0	0	0	0	109.7	V384 V385 W482	V384-T487 HydrophobicContact CG2-CG2 4.48Å; V385-T487 HydrophobicContact CB-CG2 4.14Å; V385-T487 HydrophobicContact CG2-CG2 3.38Å; W482-T487 WeakPolarHBondContact CZ3-O 3.48Å
488	G	66.9	Low	86.6	Confident	4 Å²	4	22.3 Å²	22.3	4%	0.041	12%	0.12	C	C	.	.			trans	168.4	169.2	171.1	0	0	0	0	0	115.5	Y490	G488-Y490 PolarHBondContact O-N 2.98Å
489	Y	81.3	Confident	86.1	Confident	1 Å²	1	26.2 Å²	26.2	0%	0.004	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	80.7	-65.5	164.3	-89.7	-91.3	0	0	0	118.8	P479 V480 W482 L527 N528 S531 P624	P479-Y489 WeakPolarHBondContact CA-O 3.43Å; P479-Y489 HydrophobicContact CB-CD1 3.68Å; P479-Y489 HydrophobicContact CB-CE1 3.98Å; P479-Y489 WeakPolarHBondContact CB-O 3.42Å; P479-Y489 HydrophobicContact CG-CD1 4.33Å; P479-Y489 HydrophobicContact CG-CE1 4.41Å; V480-Y489 PolarHBondContact N-O 3.17Å; V480-Y489 WeakPolarHBondContact O-CA 3.25Å; V480-Y489 PolarHBondContact O-N 3.38Å; W482-Y489 HydrophobicContact CB-CD2 4.39Å; W482-Y489 HydrophobicContact CB-CE2 3.87Å; W482-Y489 AromaticContact CD1-CD2 3.43Å; W482-Y489 VanDerWaalsContact CD1-CD2 3.43Å; W482-Y489 AromaticContact CD1-CE2 2.81Å; W482-Y489 AromaticContact CD1-CZ 3.58Å; W482-Y489 AromaticContact CD2-CD2 3.51Å; W482-Y489 HydrophobicContact CD2-CD2 3.51Å; W482-Y489 AromaticContact CD2-CE2 3.72Å; W482-Y489 HydrophobicContact CD2-CE2 3.72Å; W482-Y489 AromaticContact CE2-CD2 3.21Å; W482-Y489 AromaticContact CE2-CE2 3.55Å; W482-Y489 HydrophobicContact CE3-CD2 4.39Å; W482-Y489 AromaticContact CG-CD2 3.53Å; W482-Y489 HydrophobicContact CG-CD2 3.53Å; W482-Y489 AromaticContact CG-CE2 3.19Å; W482-Y489 HydrophobicContact CG-CE2 3.19Å; W482-Y489 AromaticContact CZ2-CD2 3.83Å; W482-Y489 HydrophobicContact CZ2-CD2 3.83Å; W482-Y489 HydrophobicContact CZ2-CG 4.42Å; W482-Y489 AromaticContact NE1-CD2 3.11Å; W482-Y489 AromaticContact NE1-CE2 2.93Å; W482-Y489 AromaticContact NE1-CZ 3.62Å; Y489-L527 PolarHBondContact OH-O 3.4Å; Y489-N528 VanDerWaalsContact OH-CA 3.29Å; Y489-N528 WeakPolarHBondContact OH-CA 3.37Å; Y489-N528 PolarHBondContact OH-N 3.44Å; Y489-N528 VanDerWaalsContact OH-N 3.14Å; Y489-N528 PolarHBondContact OH-OD1 3.19Å; Y489-S531 WeakPolarHBondContact CE1-OG 3.34Å; Y489-S531 WeakPolarHBondContact OH-CB 3.3Å; Y489-S531 PolarHBondContact OH-OG 3.18Å; Y489-P624 HydrophobicContact CD1-CB 3.36Å; Y489-P624 HydrophobicContact CD1-CG 4.01Å; Y489-P624 HydrophobicContact CE1-CB 4.1Å; Y489-P624 HydrophobicContact CG-CB 4.13Å
490	Y	91.7	Very high	85.1	Confident	6 Å²	6	28.2 Å²	28.2	2%	0.024	15%	0.145	C	C	.	.	S	Bend	trans	-88.1	163.4	177.4	-66.2	-92.6	0	0	0	109.7	E212 T471 M475 G488 I492 S493 V495 P624 C636	E212-Y490 WeakPolarHBondContact OE2-CB 3.39Å; T471-Y490 WeakPolarHBondContact CA-OH 3.46Å; T471-Y490 HydrophobicContact CG2-CD1 4.44Å; T471-Y490 HydrophobicContact CG2-CD2 4.14Å; T471-Y490 HydrophobicContact CG2-CE1 4.13Å; T471-Y490 HydrophobicContact CG2-CE2 3.83Å; T471-Y490 HydrophobicContact CG2-CG 4.44Å; T471-Y490 PolarHBondContact O-OH 3.42Å; M475-Y490 HydrophobicContact CE-CD1 4.35Å; M475-Y490 HydrophobicContact CG-CD1 3.94Å; M475-Y490 HydrophobicContact CG-CE1 3.73Å; M475-Y490 HydrophobicContact SD-CD1 3.73Å; M475-Y490 HydrophobicContact SD-CE1 3.96Å; M475-Y490 HydrophobicContact SD-CG 4.29Å; G488-Y490 PolarHBondContact O-N 2.98Å; Y490-I492 VanDerWaalsContact C-N 3.34Å; Y490-S493 WeakPolarHBondContact CB-O 3.28Å; Y490-V495 HydrophobicContact CD2-CG1 4.07Å; Y490-V495 HydrophobicContact CD2-CG2 4.32Å; Y490-V495 HydrophobicContact CE2-CG1 3.81Å; Y490-V495 HydrophobicContact CE2-CG2 4.35Å; Y490-P624 HydrophobicContact CE1-CG 4.03Å; Y490-P624 HydrophobicContact CE2-CB 3.82Å; Y490-P624 HydrophobicContact CE2-CG 3.95Å; Y490-C636 HydrophobicContact CE2-CB 4.25Å
491	L	92.3	Very high	83.8	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-71.3	-36.2	-177	-55.3	-174.5	0	0	0	111.2	F205 Q208 M209 E212 Y348 M475 V480	F205-L491 HydrophobicContact CD2-CD1 3.68Å; F205-L491 HydrophobicContact CD2-CD2 3.98Å; F205-L491 HydrophobicContact CD2-CG 4.5Å; F205-L491 HydrophobicContact CE2-CD1 3.68Å; F205-L491 HydrophobicContact CE2-CD2 3.7Å; F205-L491 HydrophobicContact CE2-CG 4.25Å; F205-L491 HydrophobicContact CG-CD1 4.27Å; F205-L491 HydrophobicContact CZ-CD1 4.21Å; Q208-L491 HydrophobicContact CB-CD1 3.87Å; Q208-L491 HydrophobicContact CG-CD1 3.71Å; Q208-L491 HydrophobicContact CG-CG 4.04Å; M209-L491 HydrophobicContact CB-CD1 4.05Å; M209-L491 HydrophobicContact CE-CB 4.06Å; M209-L491 HydrophobicContact CE-CD1 4.18Å; M209-L491 HydrophobicContact SD-CB 4.43Å; E212-L491 PolarHBondContact OE1-N 3.47Å; E212-L491 PolarHBondContact OE2-N 3.44Å; Y348-L491 HydrophobicContact CD2-CD2 4.37Å; Y348-L491 HydrophobicContact CE2-CD2 4.36Å; M475-L491 HydrophobicContact CE-CG 4.42Å; V480-L491 HydrophobicContact CG2-CD2 3.76Å
492	I	88.6	Confident	82.1	Confident	5 Å²	5	38.6 Å²	38.6	3%	0.026	19%	0.189	C	C	.	.	S	Bend	trans	-127.2	-48.3	-177.3	-62.7	180	0	0	0	110.5	M209 E212 L213 V332 R335 F341 Y490	M209-I492 HydrophobicContact SD-CD1 3.49Å; M209-I492 WeakPolarHBondContact SD-CD1 3.38Å; M209-I492 HydrophobicContact SD-CG1 3.77Å; E212-I492 HydrophobicContact CB-CB 4.08Å; E212-I492 HydrophobicContact CB-CD1 4.24Å; E212-I492 HydrophobicContact CB-CG1 4.42Å; E212-I492 WeakPolarHBondContact OE2-CA 3.28Å; E212-I492 WeakPolarHBondContact OE2-CB 3.19Å; E212-I492 PolarHBondContact OE2-N 2.95Å; L213-I492 HydrophobicContact CB-CD1 4.45Å; L213-I492 HydrophobicContact CD1-CD1 4.41Å; L213-I492 HydrophobicContact CD2-CD1 3.34Å; L213-I492 HydrophobicContact CG-CD1 3.42Å; L213-I492 VanDerWaalsContact CG-CD1 3.42Å; V332-I492 HydrophobicContact CG1-CG2 4.29Å; V332-I492 HydrophobicContact CG2-CG2 3.64Å; R335-I492 PolarHBondContact NH1-O 2.95Å; F341-I492 HydrophobicContact CD1-CG1 4.07Å; F341-I492 HydrophobicContact CD2-CD1 4.44Å; F341-I492 HydrophobicContact CE1-CB 4.29Å; F341-I492 HydrophobicContact CE1-CG1 3.95Å; F341-I492 HydrophobicContact CE1-CG2 4.01Å; F341-I492 HydrophobicContact CE2-CD1 4.35Å; F341-I492 HydrophobicContact CE2-CG1 4.48Å; F341-I492 HydrophobicContact CG-CG1 4.42Å; F341-I492 HydrophobicContact CZ-CB 4.48Å; F341-I492 HydrophobicContact CZ-CD1 4.47Å; F341-I492 HydrophobicContact CZ-CG1 4.19Å; F341-I492 HydrophobicContact CZ-CG2 3.79Å; Y490-I492 VanDerWaalsContact C-N 3.34Å
493	S	85	Confident	80.4	Confident	27 Å²	27	41.3 Å²	41.3	19%	0.189	21%	0.207	C	C	.	.			trans	-64.1	142.6	-172.9	-59.1	0	0	0	0	111.1	E212 Y490	E212-S493 PolarHBondContact OE2-N 3.37Å; E212-S493 PolarHBondContact OE2-OG 3.01Å; Y490-S493 WeakPolarHBondContact CB-O 3.28Å
494	E	81.8	Confident	79	Confident	69 Å²	69	40.8 Å²	40.8	32%	0.322	21%	0.205	S	C	.	.			trans	-109.3	134.5	177.9	-71.1	177.2	-171.3	0	0	110.5	R335	R335-E494 VanDerWaalsContact CD-OE1 3.28Å; R335-E494 WeakPolarHBondContact CD-OE1 3.39Å; R335-E494 IonicContact CZ-OE1 3Å; R335-E494 IonicContact NE-OE1 3.34Å; R335-E494 IonicContact NH1-OE1 2.9Å; R335-E494 PolarHBondContact NH1-OE1 3Å
495	V	86.2	Confident	77.7	Confident	26 Å²	26	43.9 Å²	43.9	16%	0.158	22%	0.221	C	C	.	.			trans	-124.9	148.5	172.7	-65	0	0	0	0	108.9	T471 W482 Y490	T471-V495 HydrophobicContact CG2-CG1 4.08Å; W482-V495 HydrophobicContact CH2-CG2 4.21Å; W482-V495 WeakPolarHBondContact CH2-O 3.39Å; W482-V495 HydrophobicContact CZ2-CG2 4.14Å; Y490-V495 HydrophobicContact CD2-CG1 4.07Å; Y490-V495 HydrophobicContact CD2-CG2 4.32Å; Y490-V495 HydrophobicContact CE2-CG1 3.81Å; Y490-V495 HydrophobicContact CE2-CG2 4.35Å
496	P	85.4	Confident	76.3	Confident	82 Å²	82	43.4 Å²	43.4	53%	0.532	22%	0.219	S	C	.	.			trans	-70.8	141	178	29.1	-34.8	0	0	0	111	N626	P496-N626 WeakPolarHBondContact O-CB 3.48Å; P496-N626 PolarHBondContact O-ND2 2.93Å
497	F	88.8	Confident	75.2	Confident	9 Å²	9	37.5 Å²	37.5	4%	0.039	19%	0.193	C	C	.	.	S	Bend	trans	-61.7	-45.8	171.1	-180	-111.3	0	0	0	111.5	W482 T485 A523 I524 L527 L627 F905	W482-F497 AromaticContact CD2-CD2 3.72Å; W482-F497 HydrophobicContact CD2-CD2 3.72Å; W482-F497 HydrophobicContact CD2-CE2 4.3Å; W482-F497 AromaticContact CE2-CD2 3.84Å; W482-F497 AromaticContact CE3-CD2 3.92Å; W482-F497 HydrophobicContact CE3-CD2 3.92Å; W482-F497 HydrophobicContact CG-CD2 4.15Å; W482-F497 HydrophobicContact CG-CE2 4.25Å; W482-F497 HydrophobicContact CH2-CB 4.02Å; W482-F497 HydrophobicContact CH2-CD2 4.41Å; W482-F497 HydrophobicContact CZ2-CB 4.44Å; W482-F497 HydrophobicContact CZ2-CD2 4.24Å; W482-F497 HydrophobicContact CZ3-CB 4.04Å; W482-F497 HydrophobicContact CZ3-CD2 4.24Å; T485-F497 HydrophobicContact CG2-CD1 3.88Å; T485-F497 HydrophobicContact CG2-CE1 3.98Å; T485-F497 HydrophobicContact CG2-CG 4.42Å; T485-F497 WeakPolarHBondContact O-CB 3.48Å; F497-A523 HydrophobicContact CZ-CB 4.49Å; F497-I524 HydrophobicContact CE2-CG1 3.66Å; F497-I524 HydrophobicContact CZ-CG1 3.8Å; F497-L527 HydrophobicContact CD2-CD1 4.18Å; F497-L527 HydrophobicContact CE2-CD1 3.6Å; F497-L527 HydrophobicContact CZ-CD1 4.34Å; F497-L627 HydrophobicContact CE1-CD2 4.37Å; F497-L627 HydrophobicContact CE2-CD2 4.48Å; F497-L627 HydrophobicContact CZ-CD2 4.01Å; F497-L627 PolarHBondContact O-N 3.4Å; F497-L627 VanDerWaalsContact O-N 3.17Å; F497-F905 HydrophobicContact CE1-CE2 4.4Å
498	I	88.4	Confident	74.3	Confident	37 Å²	37	38.4 Å²	38.4	19%	0.19	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	116.4	173.6	-49.1	-167	0	0	0	110.1	L500 I515 L627 F629 F905	I498-L500 HydrophobicContact CG2-CD2 4.42Å; I498-L500 HydrophobicContact CG2-CG 4.33Å; I498-L500 PolarHBondContact O-N 2.95Å; I498-I515 HydrophobicContact CD1-CD1 3.72Å; I498-L627 CarbonylContact C-O 3.43Å; I498-L627 WeakPolarHBondContact CA-O 3.44Å; I498-L627 HydrophobicContact CB-CD1 4.3Å; I498-L627 HydrophobicContact CD1-CD1 4.34Å; I498-L627 HydrophobicContact CG1-CD1 3.77Å; I498-L627 HydrophobicContact CG2-CD1 4.29Å; I498-F629 HydrophobicContact CG2-CB 4.15Å; I498-F905 HydrophobicContact CD1-CE2 4.48Å; I498-F905 HydrophobicContact CD1-CZ 4.1Å
499	R	85.1	Confident	73.8	Confident	82 Å²	82	42.5 Å²	42.5	31%	0.309	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	120.9	170.5	-62.4	-170.6	-171.8	-173.3	6.1	109.8	N626 L627 Y634 P635	R499-N626 WeakPolarHBondContact CG-ND2 3.31Å; R499-N626 VanDerWaalsContact NE-CG 3.28Å; R499-N626 PolarHBondContact NE-ND2 3.5Å; R499-N626 PolarHBondContact NE-OD1 2.83Å; R499-N626 PolarHBondContact NH2-OD1 3.02Å; R499-L627 PolarHBondContact N-O 3.25Å; R499-Y634 PolarHBondContact NH2-O 3.5Å; R499-P635 VanDerWaalsContact NH2-C 3.26Å; R499-P635 PolarHBondContact NH2-O 2.75Å
500	L	76.7	Confident	72.2	Confident	51 Å²	51	45.2 Å²	45.2	27%	0.267	23%	0.233	S	C	.	.			trans	-123.4	145.7	171.2	-68.7	174	0	0	0	109.9	I498 L505 A508 F629 P910	I498-L500 HydrophobicContact CG2-CD2 4.42Å; I498-L500 HydrophobicContact CG2-CG 4.33Å; I498-L500 PolarHBondContact O-N 2.95Å; L500-L505 HydrophobicContact CB-CD2 3.71Å; L500-L505 HydrophobicContact CB-CG 4.36Å; L500-L505 HydrophobicContact CD1-CD2 4.17Å; L500-A508 HydrophobicContact CD1-CB 3.53Å; L500-F629 HydrophobicContact CD2-CB 3.84Å; L500-P910 HydrophobicContact CD2-CB 4.3Å
501	H	67	Low	70.4	Confident	108 Å²	108	47.2 Å²	47.2	50%	0.5	24%	0.243	S	C	.	.			trans	-67.6	143.2	170.8	-172.8	-96.8	0	0	0	109.9	S503 A504 L505	H501-S503 PolarHBondContact ND1-N 2.96Å; H501-S503 PolarHBondContact ND1-OG 3.4Å; H501-S503 PolarHBondContact O-N 2.94Å; H501-A504 WeakPolarHBondContact O-CB 3.39Å; H501-A504 PolarHBondContact O-N 2.83Å; H501-L505 PolarHBondContact O-N 3.26Å
502	Y	58.7	Low	68.3	Low	118 Å²	118	54 Å²	54	46%	0.463	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-35.4	-174.9	65.5	-93.9	0	0	0	113.4	A504 L505	Y502-A504 PolarHBondContact O-N 3.46Å; Y502-L505 PolarHBondContact O-N 2.93Å
503	S	55.4	Low	66.4	Low	57 Å²	57	55.8 Å²	55.8	40%	0.399	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-16.9	179.2	68	0	0	0	0	114.5	H501	H501-S503 PolarHBondContact ND1-N 2.96Å; H501-S503 PolarHBondContact ND1-OG 3.4Å; H501-S503 PolarHBondContact O-N 2.94Å
504	A	60	Low	65.1	Low	2 Å²	2	60.6 Å²	60.6	2%	0.017	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-23.1	-176.9	0	0	0	0	0	113.7	H501 Y502 P506 V507 A508 P910	H501-A504 WeakPolarHBondContact O-CB 3.39Å; H501-A504 PolarHBondContact O-N 2.83Å; Y502-A504 PolarHBondContact O-N 3.46Å; A504-P506 VanDerWaalsContact C-CD 3.49Å; A504-V507 PolarHBondContact O-N 3.41Å; A504-V507 VanDerWaalsContact O-N 3.14Å; A504-A508 WeakPolarHBondContact O-CB 3.36Å; A504-A508 PolarHBondContact O-N 3.42Å; A504-P910 HydrophobicContact CB-CB 3.49Å; A504-P910 VanDerWaalsContact CB-CB 3.49Å
505	L	57.7	Low	64.4	Low	69 Å²	69	59.5 Å²	59.5	36%	0.361	31%	0.312	S	S	.	.	H	α-helix	trans	-49.6	-49.4	-175.1	-69.8	170.3	0	0	0	113.3	L500 H501 Y502 V507 A508 E509	L500-L505 HydrophobicContact CB-CD2 3.71Å; L500-L505 HydrophobicContact CB-CG 4.36Å; L500-L505 HydrophobicContact CD1-CD2 4.17Å; H501-L505 PolarHBondContact O-N 3.26Å; Y502-L505 PolarHBondContact O-N 2.93Å; L505-V507 VanDerWaalsContact C-N 3.27Å; L505-V507 PolarHBondContact O-N 3.13Å; L505-A508 PolarHBondContact O-N 3.31Å; L505-E509 WeakPolarHBondContact O-CG 3.32Å; L505-E509 PolarHBondContact O-N 2.97Å; L505-E509 VanDerWaalsContact O-N 3.09Å
506	P	54.4	Low	64	Low	22 Å²	22	60.3 Å²	60.3	14%	0.143	32%	0.319	C	S	.	.	H	α-helix	trans	-65.5	-30.7	-174.9	-20.6	33.3	0	0	0	113.3	Y20 Y21 A504 M510	Y20-P506 HydrophobicContact CE1-CB 4.39Å; Y20-P506 WeakPolarHBondContact CE1-O 3.39Å; Y20-P506 PolarHBondContact OH-O 3.34Å; Y21-P506 HydrophobicContact CE1-CB 3.58Å; Y21-P506 HydrophobicContact CE1-CG 4.21Å; A504-P506 VanDerWaalsContact C-CD 3.49Å; P506-M510 WeakPolarHBondContact O-CG 3.36Å; P506-M510 PolarHBondContact O-N 2.96Å
507	V	55.2	Low	63.7	Low	3 Å²	3	59.7 Å²	59.7	2%	0.018	31%	0.309	C	S	.	.	H	α-helix	trans	-91	-31.9	-176.4	-161.1	0	0	0	0	111.6	A504 L505 E509 M510 E511 Y912	A504-V507 PolarHBondContact O-N 3.41Å; A504-V507 VanDerWaalsContact O-N 3.14Å; L505-V507 VanDerWaalsContact C-N 3.27Å; L505-V507 PolarHBondContact O-N 3.13Å; V507-E509 VanDerWaalsContact C-N 3.27Å; V507-E509 PolarHBondContact O-N 3.07Å; V507-M510 WeakPolarHBondContact O-CB 2.94Å; V507-M510 PolarHBondContact O-N 3.04Å; V507-E511 PolarHBondContact O-N 3.26Å; V507-Y912 HydrophobicContact CB-CD1 4.17Å; V507-Y912 HydrophobicContact CB-CD2 3.75Å; V507-Y912 HydrophobicContact CB-CE1 4.09Å; V507-Y912 HydrophobicContact CB-CE2 3.67Å; V507-Y912 HydrophobicContact CB-CG 3.99Å; V507-Y912 HydrophobicContact CG1-CD1 3.58Å; V507-Y912 HydrophobicContact CG1-CD2 4.01Å; V507-Y912 HydrophobicContact CG1-CE1 3.24Å; V507-Y912 HydrophobicContact CG1-CE2 3.71Å; V507-Y912 HydrophobicContact CG1-CG 3.94Å; V507-Y912 HydrophobicContact CG2-CD1 4.37Å; V507-Y912 HydrophobicContact CG2-CD2 4.15Å; V507-Y912 HydrophobicContact CG2-CG 4.03Å
508	A	54.5	Low	63.4	Low	29 Å²	29	64 Å²	64	24%	0.24	33%	0.328	C	S	.	.	H	α-helix	trans	-61.6	-37.9	170.1	0	0	0	0	0	111.6	L500 A504 L505 M510 E511 K512	L500-A508 HydrophobicContact CD1-CB 3.53Å; A504-A508 WeakPolarHBondContact O-CB 3.36Å; A504-A508 PolarHBondContact O-N 3.42Å; L505-A508 PolarHBondContact O-N 3.31Å; A508-M510 VanDerWaalsContact C-N 3.3Å; A508-M510 PolarHBondContact O-N 3.27Å; A508-E511 PolarHBondContact O-N 3.23Å; A508-K512 PolarHBondContact O-N 2.99Å
509	E	54.7	Low	63.4	Low	90 Å²	90	64.2 Å²	64.2	42%	0.421	33%	0.329	S	S	.	.	H	α-helix	trans	-66.6	-27.3	171	-74.8	-179.4	164.6	0	0	113.5	Y20 L505 V507 K512	Y20-E509 WeakPolarHBondContact OH-CB 3.15Å; Y20-E509 PolarHBondContact OH-OE2 3.3Å; L505-E509 WeakPolarHBondContact O-CG 3.32Å; L505-E509 PolarHBondContact O-N 2.97Å; L505-E509 VanDerWaalsContact O-N 3.09Å; V507-E509 VanDerWaalsContact C-N 3.27Å; V507-E509 PolarHBondContact O-N 3.07Å; E509-K512 VanDerWaalsContact O-CG 3.26Å; E509-K512 WeakPolarHBondContact O-CG 2.83Å
510	M	49.3	Very low	63.6	Low	58 Å²	58	60.3 Å²	60.3	29%	0.286	31%	0.314	S	S	.	.	H	α-helix	trans	-75.7	-39.2	174.4	-72.3	-177.7	79.2	0	0	112.4	D17 Y20 P506 V507 A508 K512 T945	D17-M510 HydrophobicContact CB-CE 4.11Å; Y20-M510 HydrophobicContact CD1-CE 4.37Å; Y20-M510 HydrophobicContact CD1-CG 3.75Å; Y20-M510 HydrophobicContact CD1-SD 3.57Å; Y20-M510 VanDerWaalsContact CD1-SD 3.57Å; Y20-M510 HydrophobicContact CD2-CE 4.01Å; Y20-M510 HydrophobicContact CD2-CG 3.48Å; Y20-M510 VanDerWaalsContact CD2-CG 3.48Å; Y20-M510 HydrophobicContact CD2-SD 4Å; Y20-M510 HydrophobicContact CE1-CG 3.6Å; Y20-M510 HydrophobicContact CE1-SD 3.96Å; Y20-M510 HydrophobicContact CE2-CB 4.44Å; Y20-M510 HydrophobicContact CE2-CG 3.31Å; Y20-M510 HydrophobicContact CE2-SD 4.35Å; Y20-M510 HydrophobicContact CG-CE 3.78Å; Y20-M510 HydrophobicContact CG-CG 3.69Å; Y20-M510 HydrophobicContact CG-SD 3.59Å; Y20-M510 VanDerWaalsContact CG-SD 3.59Å; P506-M510 WeakPolarHBondContact O-CG 3.36Å; P506-M510 PolarHBondContact O-N 2.96Å; V507-M510 WeakPolarHBondContact O-CB 2.94Å; V507-M510 PolarHBondContact O-N 3.04Å; A508-M510 VanDerWaalsContact C-N 3.3Å; A508-M510 PolarHBondContact O-N 3.27Å; M510-K512 VanDerWaalsContact C-N 3.26Å; M510-K512 PolarHBondContact O-N 3.43Å; M510-T945 HydrophobicContact CE-CG2 3.87Å; M510-T945 HydrophobicContact SD-CG2 3.61Å
511	E	52.3	Low	64.3	Low	48 Å²	48	58.4 Å²	58.4	22%	0.224	30%	0.304	C	S	.	.	H	α-helix	trans	-81	-3.1	-178.1	-82.1	-165.1	166.4	0	0	113.7	V507 A508 A513 A896 V908 Y912	V507-E511 PolarHBondContact O-N 3.26Å; A508-E511 PolarHBondContact O-N 3.23Å; E511-A513 VanDerWaalsContact C-N 3.27Å; E511-A513 PolarHBondContact O-N 3.48Å; E511-A896 PolarHBondContact OE1-N 3.04Å; E511-A896 VanDerWaalsContact OE1-N 3.15Å; E511-A896 WeakPolarHBondContact OE2-CB 3.2Å; E511-V908 VanDerWaalsContact OE2-CG1 3.31Å; E511-V908 WeakPolarHBondContact OE2-CG1 3.32Å; E511-Y912 PolarHBondContact OE1-OH 2.63Å; E511-Y912 PolarHBondContact OE2-OH 3.46Å
512	K	48.7	Very low	65.6	Low	143 Å²	143	53.3 Å²	53.3	62%	0.622	28%	0.28	S	S	*	.			trans	-3.1	80.4	176.9	-93.3	173.9	-169.9	-175.2	0	111.5	A508 E509 M510 V514	A508-K512 PolarHBondContact O-N 2.99Å; E509-K512 VanDerWaalsContact O-CG 3.26Å; E509-K512 WeakPolarHBondContact O-CG 2.83Å; M510-K512 VanDerWaalsContact C-N 3.26Å; M510-K512 PolarHBondContact O-N 3.43Å; K512-V514 PolarHBondContact O-N 3.45Å
513	A	49.7	Very low	67.3	Low	42 Å²	42	47.8 Å²	47.8	35%	0.347	26%	0.259	S	S	.	.			trans	-59.5	107.2	150.4	0	0	0	0	0	102	E511 I515 V908	E511-A513 VanDerWaalsContact C-N 3.27Å; E511-A513 PolarHBondContact O-N 3.48Å; A513-I515 WeakPolarHBondContact O-CG1 3.47Å; A513-I515 PolarHBondContact O-N 3.22Å; A513-V908 HydrophobicContact CB-CG2 4.5Å
514	V	56.5	Low	69.1	Low	127 Å²	127	45.1 Å²	45.1	77%	0.77	24%	0.24	S	C	*	.			trans	-59.3	99.5	171.7	175.9	0	0	0	0	103.8	K512 S516	K512-V514 PolarHBondContact O-N 3.45Å; V514-S516 PolarHBondContact O-N 3.09Å
515	I	67.5	Low	70.7	Confident	47 Å²	47	45.1 Å²	45.1	24%	0.241	24%	0.24	C	C	.	.			trans	-68.9	107.2	177.6	-57.1	-174.4	0	0	0	104.2	T485 I498 A513 E517 V520 P906	T485-I515 HydrophobicContact CG2-CG2 4.23Å; I498-I515 HydrophobicContact CD1-CD1 3.72Å; A513-I515 WeakPolarHBondContact O-CG1 3.47Å; A513-I515 PolarHBondContact O-N 3.22Å; I515-E517 PolarHBondContact O-N 2.99Å; I515-V520 HydrophobicContact CG2-CB 4.19Å; I515-V520 HydrophobicContact CG2-CG1 3.33Å; I515-V520 HydrophobicContact CG2-CG2 3.77Å; I515-P906 HydrophobicContact CB-CG 4.41Å; I515-P906 HydrophobicContact CD1-CG 4.08Å; I515-P906 HydrophobicContact CG1-CG 3.83Å; I515-P906 HydrophobicContact CG2-CG 4.04Å
516	S	77.6	Confident	72.5	Confident	43 Å²	43	41.9 Å²	41.9	30%	0.301	22%	0.223	S	C	.	.			trans	-61.6	126.7	167.9	175.1	0	0	0	0	107.4	V514 E518 E519	V514-S516 PolarHBondContact O-N 3.09Å; S516-E518 PolarHBondContact O-N 3.24Å; S516-E518 PolarHBondContact OG-N 3.49Å; S516-E519 PolarHBondContact O-N 3Å; S516-E519 VanDerWaalsContact O-N 3.16Å
517	E	79.3	Confident	74.5	Confident	69 Å²	69	40.8 Å²	40.8	32%	0.322	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-34.3	179	-66	-172.2	158.6	0	0	110.6	S484 I515 E519 V520 F521	S484-E517 WeakPolarHBondContact CB-OE1 3.48Å; S484-E517 PolarHBondContact OG-OE1 2.95Å; I515-E517 PolarHBondContact O-N 2.99Å; E517-E519 PolarHBondContact O-N 3.2Å; E517-V520 WeakPolarHBondContact O-CG2 3.47Å; E517-V520 PolarHBondContact O-N 2.6Å; E517-F521 HydrophobicContact CB-CE1 4.26Å; E517-F521 WeakPolarHBondContact O-CD1 3.39Å; E517-F521 VanDerWaalsContact O-CE1 3.29Å; E517-F521 WeakPolarHBondContact O-CE1 3.28Å; E517-F521 PolarHBondContact O-N 2.99Å
518	E	83.3	Confident	76.4	Confident	98 Å²	98	40.9 Å²	40.9	46%	0.458	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-65.7	-36.3	178.8	-58.7	178.3	177.3	0	0	113.3	L174 S516 V520 F521	L174-E518 HydrophobicContact CD1-CB 3.84Å; S516-E518 PolarHBondContact O-N 3.24Å; S516-E518 PolarHBondContact OG-N 3.49Å; E518-V520 PolarHBondContact O-N 2.94Å; E518-F521 VanDerWaalsContact CA-CE2 3.42Å; E518-F521 HydrophobicContact CB-CD2 4.36Å; E518-F521 HydrophobicContact CB-CE2 3.94Å; E518-F521 HydrophobicContact CB-CZ 4.49Å; E518-F521 HydrophobicContact CG-CE2 3.8Å; E518-F521 HydrophobicContact CG-CZ 4.12Å
519	E	87.1	Confident	78.2	Confident	42 Å²	42	40 Å²	40	20%	0.196	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-68.1	-26.5	178.4	-71.2	-177.5	146.7	0	0	112.1	S516 E517 K900 N904	S516-E519 PolarHBondContact O-N 3Å; S516-E519 VanDerWaalsContact O-N 3.16Å; E517-E519 PolarHBondContact O-N 3.2Å; E519-K900 VanDerWaalsContact CD-NZ 3.26Å; E519-K900 IonicContact OE1-NZ 3.73Å; E519-K900 PolarHBondContact OE1-NZ 3.23Å; E519-K900 IonicContact OE2-NZ 3.59Å; E519-K900 PolarHBondContact OE2-NZ 3.49Å; E519-N904 HydrophobicContact CB-CB 3.97Å; E519-N904 HydrophobicContact CG-CB 4.33Å; E519-N904 WeakPolarHBondContact O-CB 3.42Å
520	V	90	Very high	80.2	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.006	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-104.9	6.3	-176.3	-62.7	0	0	0	0	114.1	T485 I515 E517 E518 P522 A523 I524 F905 P906	T485-V520 HydrophobicContact CG2-CG2 3.72Å; I515-V520 HydrophobicContact CG2-CB 4.19Å; I515-V520 HydrophobicContact CG2-CG1 3.33Å; I515-V520 HydrophobicContact CG2-CG2 3.77Å; E517-V520 WeakPolarHBondContact O-CG2 3.47Å; E517-V520 PolarHBondContact O-N 2.6Å; E518-V520 PolarHBondContact O-N 2.94Å; V520-P522 VanDerWaalsContact C-N 3.3Å; V520-A523 PolarHBondContact O-N 3.32Å; V520-I524 HydrophobicContact CG2-CD1 3.99Å; V520-I524 HydrophobicContact CG2-CG1 4.49Å; V520-I524 PolarHBondContact O-N 3.48Å; V520-F905 HydrophobicContact CG1-CD2 4.12Å; V520-P906 HydrophobicContact CG1-CG 4.36Å
521	F	91.6	Very high	82.4	Confident	10 Å²	10	33.2 Å²	33.2	4%	0.044	18%	0.175	C	C	.	.	H	α-helix	trans	-52.7	-39.3	172.5	-69.4	-27.5	0	0	0	114.3	N170 Y173 E517 E518 A523 I524 D525	N170-F521 VanDerWaalsContact CG-CE2 3.5Å; N170-F521 WeakPolarHBondContact ND2-CE2 3.48Å; N170-F521 VanDerWaalsContact ND2-CZ 3.28Å; N170-F521 WeakPolarHBondContact ND2-CZ 3.46Å; N170-F521 WeakPolarHBondContact OD1-CE2 3.44Å; Y173-F521 HydrophobicContact CD1-CB 4.01Å; Y173-F521 HydrophobicContact CE1-CB 4.14Å; E517-F521 HydrophobicContact CB-CE1 4.26Å; E517-F521 WeakPolarHBondContact O-CD1 3.39Å; E517-F521 VanDerWaalsContact O-CE1 3.29Å; E517-F521 WeakPolarHBondContact O-CE1 3.28Å; E517-F521 PolarHBondContact O-N 2.99Å; E518-F521 VanDerWaalsContact CA-CE2 3.42Å; E518-F521 HydrophobicContact CB-CD2 4.36Å; E518-F521 HydrophobicContact CB-CE2 3.94Å; E518-F521 HydrophobicContact CB-CZ 4.49Å; E518-F521 HydrophobicContact CG-CE2 3.8Å; E518-F521 HydrophobicContact CG-CZ 4.12Å; F521-A523 VanDerWaalsContact C-N 3.31Å; F521-A523 PolarHBondContact O-N 3.35Å; F521-I524 HydrophobicContact CD1-CD1 4.24Å; F521-I524 PolarHBondContact O-N 2.95Å; F521-D525 WeakPolarHBondContact O-CB 2.85Å; F521-D525 PolarHBondContact O-N 2.85Å
522	P	93.9	Very high	84.4	Confident	2 Å²	2	31.1 Å²	31.1	1%	0.013	17%	0.167	C	C	.	.	H	α-helix	trans	-58.3	-43.1	174.9	-25	34.9	0	0	0	113	Y173 L178 V520 C526 L903 L974	Y173-P522 HydrophobicContact CD1-CB 4.31Å; Y173-P522 HydrophobicContact CD1-CG 3.63Å; Y173-P522 HydrophobicContact CE1-CB 4.43Å; Y173-P522 HydrophobicContact CE1-CG 4.21Å; Y173-P522 HydrophobicContact CG-CG 4.33Å; L178-P522 HydrophobicContact CD1-CB 3.75Å; L178-P522 HydrophobicContact CD1-CG 3.52Å; V520-P522 VanDerWaalsContact C-N 3.3Å; P522-C526 WeakPolarHBondContact O-CB 3.36Å; P522-C526 PolarHBondContact O-N 2.96Å; P522-L903 HydrophobicContact CB-CB 4.46Å; P522-L903 HydrophobicContact CB-CD1 4.48Å; P522-L903 HydrophobicContact CB-CD2 4.35Å; P522-L974 HydrophobicContact CB-CD1 4.37Å
523	A	94.1	Very high	86.6	Confident	2 Å²	2	24.7 Å²	24.7	2%	0.017	14%	0.139	C	C	.	.	H	α-helix	trans	-69.6	-41.7	178.7	0	0	0	0	0	111.4	F497 V520 F521 L527 L627 F905 M970	F497-A523 HydrophobicContact CZ-CB 4.49Å; V520-A523 PolarHBondContact O-N 3.32Å; F521-A523 VanDerWaalsContact C-N 3.31Å; F521-A523 PolarHBondContact O-N 3.35Å; A523-L527 VanDerWaalsContact O-CG 3.27Å; A523-L527 WeakPolarHBondContact O-CG 3.37Å; A523-L527 PolarHBondContact O-N 2.58Å; A523-L627 HydrophobicContact CB-CD2 4.06Å; A523-F905 HydrophobicContact CB-CD2 3.92Å; A523-F905 HydrophobicContact CB-CE2 4.42Å; A523-M970 HydrophobicContact CB-CE 4.17Å; A523-M970 HydrophobicContact CB-SD 4.09Å
524	I	93.6	Very high	88.8	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59	-48.9	175.3	-77.9	174.6	0	0	0	110.9	W482 F497 V520 F521 L527 N528	W482-I524 HydrophobicContact CB-CB 4.32Å; W482-I524 HydrophobicContact CB-CG1 4.21Å; W482-I524 HydrophobicContact CB-CG2 3.68Å; W482-I524 WeakPolarHBondContact O-CG2 3.25Å; F497-I524 HydrophobicContact CE2-CG1 3.66Å; F497-I524 HydrophobicContact CZ-CG1 3.8Å; V520-I524 HydrophobicContact CG2-CD1 3.99Å; V520-I524 HydrophobicContact CG2-CG1 4.49Å; V520-I524 PolarHBondContact O-N 3.48Å; F521-I524 HydrophobicContact CD1-CD1 4.24Å; F521-I524 PolarHBondContact O-N 2.95Å; I524-L527 PolarHBondContact O-N 3.21Å; I524-N528 PolarHBondContact O-N 3.11Å; I524-N528 PolarHBondContact O-ND2 2.79Å
525	D	94	Very high	90.8	Very high	3 Å²	3	16.9 Å²	16.9	2%	0.016	9%	0.088	C	C	.	.	H	α-helix	trans	-70.6	-36.2	-175.4	-70.2	-19	0	0	0	111.7	Y173 N365 R367 F521 N528 Q529 L974	Y173-D525 HydrophobicContact CE1-CB 4.4Å; Y173-D525 WeakPolarHBondContact CE1-OD2 3.47Å; Y173-D525 PolarHBondContact OH-OD2 2.77Å; Y173-D525 VanDerWaalsContact OH-OD2 3.05Å; N365-D525 VanDerWaalsContact ND2-CG 3.3Å; N365-D525 PolarHBondContact ND2-OD2 2.67Å; R367-D525 WeakPolarHBondContact CB-OD1 3.38Å; R367-D525 WeakPolarHBondContact CD-OD1 3.43Å; R367-D525 IonicContact CZ-OD1 3.93Å; R367-D525 IonicContact CZ-OD2 3.87Å; R367-D525 IonicContact NE-OD1 3.14Å; R367-D525 PolarHBondContact NE-OD1 2.71Å; R367-D525 IonicContact NE-OD2 2.67Å; R367-D525 PolarHBondContact NE-OD2 2.96Å; R367-D525 VanDerWaalsContact NE-OD2 3.14Å; R367-D525 IonicContact NH2-OD1 3.79Å; R367-D525 IonicContact NH2-OD2 3.37Å; R367-D525 PolarHBondContact NH2-OD2 3.33Å; F521-D525 WeakPolarHBondContact O-CB 2.85Å; F521-D525 PolarHBondContact O-N 2.85Å; D525-N528 WeakPolarHBondContact O-CB 3.38Å; D525-N528 PolarHBondContact O-N 3.29Å; D525-Q529 PolarHBondContact O-N 3.24Å; D525-L974 HydrophobicContact CB-CD2 3.73Å
526	C	95.4	Very high	92.3	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61.5	-47.4	170.8	171.2	0	0	0	0	112	P522 N528 Q529 L530 M970	P522-C526 WeakPolarHBondContact O-CB 3.36Å; P522-C526 PolarHBondContact O-N 2.96Å; C526-N528 VanDerWaalsContact C-N 3.28Å; C526-N528 PolarHBondContact O-N 3.3Å; C526-Q529 WeakPolarHBondContact O-CB 3.48Å; C526-Q529 PolarHBondContact O-N 3.36Å; C526-L530 WeakPolarHBondContact O-CG 3.47Å; C526-L530 PolarHBondContact O-N 2.93Å; C526-M970 HydrophobicContact CB-CB 4.09Å; C526-M970 HydrophobicContact CB-CG 3.88Å
527	L	95.6	Very high	93.3	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-58.3	-45.2	176.4	-71.8	174.3	0	0	0	110.8	W482 Y489 F497 A523 I524 Q529 L530 S531 H625 L627 V633	W482-L527 VanDerWaalsContact CD1-CD1 3.49Å; Y489-L527 PolarHBondContact OH-O 3.4Å; F497-L527 HydrophobicContact CD2-CD1 4.18Å; F497-L527 HydrophobicContact CE2-CD1 3.6Å; F497-L527 HydrophobicContact CZ-CD1 4.34Å; A523-L527 VanDerWaalsContact O-CG 3.27Å; A523-L527 WeakPolarHBondContact O-CG 3.37Å; A523-L527 PolarHBondContact O-N 2.58Å; I524-L527 PolarHBondContact O-N 3.21Å; L527-Q529 VanDerWaalsContact C-N 3.31Å; L527-Q529 PolarHBondContact O-N 3.41Å; L527-L530 PolarHBondContact O-N 2.92Å; L527-S531 WeakPolarHBondContact O-CB 3.42Å; L527-S531 PolarHBondContact O-N 2.98Å; L527-S531 PolarHBondContact O-OG 2.89Å; L527-H625 HydrophobicContact CD2-CB 3.72Å; L527-L627 HydrophobicContact CD1-CD2 3.84Å; L527-L627 HydrophobicContact CD1-CG 4.21Å; L527-L627 HydrophobicContact CG-CD2 4.45Å; L527-V633 HydrophobicContact CD2-CB 4Å; L527-V633 HydrophobicContact CD2-CG1 3.61Å
528	N	95.3	Very high	94.2	Very high	5 Å²	5	12 Å²	12	3%	0.027	6%	0.062	C	C	.	.	H	α-helix	trans	-58.1	-44.4	179.4	-72.9	-27.7	0	0	0	111.8	H366 P481 W482 Y489 I524 D525 C526 S531 G532	H366-N528 HydrophobicContact CB-CB 4.07Å; P481-N528 VanDerWaalsContact CA-OD1 3.23Å; P481-N528 WeakPolarHBondContact CA-OD1 3.46Å; P481-N528 HydrophobicContact CB-CB 4.44Å; P481-N528 WeakPolarHBondContact CB-OD1 3.46Å; W482-N528 PolarHBondContact N-OD1 2.88Å; W482-N528 PolarHBondContact O-ND2 2.67Å; Y489-N528 VanDerWaalsContact OH-CA 3.29Å; Y489-N528 WeakPolarHBondContact OH-CA 3.37Å; Y489-N528 PolarHBondContact OH-N 3.44Å; Y489-N528 VanDerWaalsContact OH-N 3.14Å; Y489-N528 PolarHBondContact OH-OD1 3.19Å; I524-N528 PolarHBondContact O-N 3.11Å; I524-N528 PolarHBondContact O-ND2 2.79Å; D525-N528 WeakPolarHBondContact O-CB 3.38Å; D525-N528 PolarHBondContact O-N 3.29Å; C526-N528 VanDerWaalsContact C-N 3.28Å; C526-N528 PolarHBondContact O-N 3.3Å; N528-S531 PolarHBondContact O-N 3.04Å; N528-G532 PolarHBondContact O-N 3.41Å
529	Q	93.6	Very high	95	Very high	11 Å²	11	9.4 Å²	9.4	5%	0.051	5%	0.051	C	C	.	.	H	α-helix	trans	-62.3	-51.2	176.2	-179.4	-169.7	-9.2	0	0	112.5	D525 C526 L527 S531 G532 T533 S973 Q977	D525-Q529 PolarHBondContact O-N 3.24Å; C526-Q529 WeakPolarHBondContact O-CB 3.48Å; C526-Q529 PolarHBondContact O-N 3.36Å; L527-Q529 VanDerWaalsContact C-N 3.31Å; L527-Q529 PolarHBondContact O-N 3.41Å; Q529-S531 PolarHBondContact O-N 3.43Å; Q529-G532 PolarHBondContact O-N 3.46Å; Q529-G532 VanDerWaalsContact O-N 3.1Å; Q529-T533 PolarHBondContact O-N 3.3Å; Q529-T533 PolarHBondContact O-OG1 3.44Å; Q529-S973 VanDerWaalsContact CD-O 3.22Å; Q529-S973 PolarHBondContact NE2-O 3.05Å; Q529-S973 PolarHBondContact NE2-OG 3.3Å; Q529-S973 PolarHBondContact OE1-O 3.37Å; Q529-S973 PolarHBondContact OE1-OG 3.14Å; Q529-Q977 HydrophobicContact CG-CB 3.9Å; Q529-Q977 HydrophobicContact CG-CG 4.41Å; Q529-Q977 VanDerWaalsContact NE2-CB 3.29Å
530	L	95.7	Very high	95.5	Very high	3 Å²	3	10.6 Å²	10.6	2%	0.016	6%	0.063	C	C	.	.	H	α-helix	trans	-57.7	-36.3	-179.4	-72.1	172.7	0	0	0	111.4	C526 L527 V633 M969 F983	C526-L530 WeakPolarHBondContact O-CG 3.47Å; C526-L530 PolarHBondContact O-N 2.93Å; L527-L530 PolarHBondContact O-N 2.92Å; L530-V633 HydrophobicContact CD1-CB 4.08Å; L530-V633 HydrophobicContact CD1-CG1 4.21Å; L530-V633 HydrophobicContact CD1-CG2 3.67Å; L530-M969 HydrophobicContact CD1-CE 4.44Å; L530-M969 HydrophobicContact CD1-SD 4.2Å; L530-F983 HydrophobicContact CD2-CD1 3.75Å; L530-F983 HydrophobicContact CD2-CE1 3.96Å
531	S	95.5	Very high	95.9	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.007	6%	0.063	C	C	.	.	H	α-helix	trans	-85.7	-21.2	177.8	-72	0	0	0	0	116.2	Y489 L527 N528 Q529 T533 F623 H625	Y489-S531 WeakPolarHBondContact CE1-OG 3.34Å; Y489-S531 WeakPolarHBondContact OH-CB 3.3Å; Y489-S531 PolarHBondContact OH-OG 3.18Å; L527-S531 WeakPolarHBondContact O-CB 3.42Å; L527-S531 PolarHBondContact O-N 2.98Å; L527-S531 PolarHBondContact O-OG 2.89Å; N528-S531 PolarHBondContact O-N 3.04Å; Q529-S531 PolarHBondContact O-N 3.43Å; S531-T533 PolarHBondContact O-N 3.25Å; S531-F623 WeakPolarHBondContact CA-O 3.18Å; S531-F623 WeakPolarHBondContact CB-O 2.96Å; S531-F623 PolarHBondContact OG-O 2.9Å; S531-H625 WeakPolarHBondContact OG-CB 3.24Å; S531-H625 PolarHBondContact OG-N 3.25Å; S531-H625 PolarHBondContact OG-ND1 3.46Å
532	G	93.9	Very high	96.2	Very high	5 Å²	5	10.1 Å²	10.1	5%	0.052	6%	0.061	C	C	.	.	H	α-helix	trans	-69	-17.8	172.8	0	0	0	0	0	112.1	H192 N528 Q529 P534	H192-G532 PolarHBondContact CE1-O 2.92Å; H192-G532 VanDerWaalsContact CE1-O 3.26Å; N528-G532 PolarHBondContact O-N 3.41Å; Q529-G532 PolarHBondContact O-N 3.46Å; Q529-G532 VanDerWaalsContact O-N 3.1Å; G532-P534 VanDerWaalsContact O-CD 3.23Å; G532-P534 WeakPolarHBondContact O-CD 3.34Å
533	T	95.1	Very high	96.5	Very high	7 Å²	7	13.6 Å²	13.6	4%	0.043	8%	0.079	C	C	.	.			trans	-65.1	115	178.1	-60.5	0	0	0	0	111	Q529 S531 W535 F654 T982 F983	Q529-T533 PolarHBondContact O-N 3.3Å; Q529-T533 PolarHBondContact O-OG1 3.44Å; S531-T533 PolarHBondContact O-N 3.25Å; T533-W535 HydrophobicContact CG2-CZ2 4.05Å; T533-W535 PolarHBondContact O-NE1 3.03Å; T533-F654 HydrophobicContact CG2-CD1 3.82Å; T533-F654 HydrophobicContact CG2-CE1 3.82Å; T533-T982 HydrophobicContact CG2-CG2 3.84Å; T533-F983 PolarHBondContact OG1-O 3.32Å
534	P	96.9	Very high	96.6	Very high	5 Å²	5	14.3 Å²	14.3	3%	0.032	8%	0.082	C	C	.	.			trans	-83.8	139.2	177.5	33.2	-31.4	0	0	0	111.2	L195 F196 G532 I620 W622 A655	L195-P534 HydrophobicContact CD1-CB 4.3Å; L195-P534 HydrophobicContact CD1-CG 3.68Å; F196-P534 HydrophobicContact CZ-CB 4.48Å; G532-P534 VanDerWaalsContact O-CD 3.23Å; G532-P534 WeakPolarHBondContact O-CD 3.34Å; P534-I620 HydrophobicContact CB-CG2 3.67Å; P534-W622 HydrophobicContact CB-CZ2 4.34Å; P534-A655 HydrophobicContact CB-CB 3.73Å; P534-A655 HydrophobicContact CG-CB 3.97Å; P534-A655 WeakPolarHBondContact O-CB 3.34Å; P534-A655 PolarHBondContact O-N 2.96Å
535	W	98.1	Very high	96.8	Very high	1 Å²	1	14.3 Å²	14.3	0%	0.004	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	156.4	-177.8	-60.3	82.2	0	0	0	111.9	T533 I620 I621 F623 H642 L652 L653 F654 A984 W991	T533-W535 HydrophobicContact CG2-CZ2 4.05Å; T533-W535 PolarHBondContact O-NE1 3.03Å; W535-I620 WeakPolarHBondContact O-CA 3.26Å; W535-I621 HydrophobicContact CB-CG1 3.91Å; W535-I621 PolarHBondContact N-O 3.1Å; W535-I621 PolarHBondContact O-N 3.21Å; W535-F623 HydrophobicContact CB-CE2 4.07Å; W535-F623 AromaticContact CD1-CD2 3.48Å; W535-F623 VanDerWaalsContact CD1-CD2 3.48Å; W535-F623 AromaticContact CD1-CE2 3.6Å; W535-F623 HydrophobicContact CD2-CE2 4.18Å; W535-F623 HydrophobicContact CG-CD2 4.04Å; W535-F623 AromaticContact CG-CE2 3.68Å; W535-F623 HydrophobicContact CG-CE2 3.68Å; W535-F623 AromaticContact NE1-CD2 3.65Å; W535-H642 HydrophobicContact CH2-CB 3.83Å; W535-H642 HydrophobicContact CZ2-CB 4.09Å; W535-H642 AromaticContact CZ2-CG 3.94Å; W535-H642 HydrophobicContact CZ3-CB 4.34Å; W535-L652 HydrophobicContact CE3-CB 3.8Å; W535-L652 HydrophobicContact CZ3-CB 4.07Å; W535-L653 CarbonylContact C-O 3.49Å; W535-L653 WeakPolarHBondContact CA-O 3.37Å; W535-F654 HydrophobicContact CE3-CD1 4.19Å; W535-F654 HydrophobicContact CH2-CD1 4.02Å; W535-F654 AromaticContact CH2-CE1 3.53Å; W535-F654 HydrophobicContact CH2-CE1 3.53Å; W535-F654 HydrophobicContact CH2-CZ 4.37Å; W535-F654 HydrophobicContact CZ2-CD1 4.31Å; W535-F654 AromaticContact CZ2-CE1 3.86Å; W535-F654 HydrophobicContact CZ2-CE1 3.86Å; W535-F654 AromaticContact CZ3-CD1 3.95Å; W535-F654 HydrophobicContact CZ3-CD1 3.95Å; W535-F654 AromaticContact CZ3-CE1 3.89Å; W535-F654 HydrophobicContact CZ3-CE1 3.89Å; W535-A984 HydrophobicContact CH2-CB 3.96Å; W535-A984 HydrophobicContact CZ2-CB 3.67Å; W535-W991 HydrophobicContact CH2-CE3 4.17Å; W535-W991 HydrophobicContact CH2-CZ3 4.48Å
536	V	98.4	Very high	97	Very high	37 Å²	37	14.2 Å²	14.2	22%	0.224	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	159.6	169.1	-66	0	0	0	0	110.2	I620 L653 A655	V536-I620 HydrophobicContact CG1-CG1 3.97Å; V536-L653 HydrophobicContact CG2-CB 3.96Å; V536-L653 PolarHBondContact N-O 2.92Å; V536-L653 PolarHBondContact O-N 3.43Å; V536-A655 HydrophobicContact CG1-CB 3.8Å
537	I	98.8	Very high	97	Very high	7 Å²	7	16 Å²	16	4%	0.036	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	133.3	178.9	-57.8	-60.3	0	0	0	110.6	N539 L542 A613 I621 L640 L651 L652	I537-N539 VanDerWaalsContact C-N 3.33Å; I537-N539 PolarHBondContact O-N 2.94Å; I537-L542 HydrophobicContact CG2-CB 4.31Å; I537-L542 HydrophobicContact CG2-CD2 3.84Å; I537-A613 HydrophobicContact CD1-CB 4.22Å; I537-A613 HydrophobicContact CG2-CB 4.45Å; I537-I621 HydrophobicContact CD1-CD1 3.91Å; I537-L640 HydrophobicContact CD1-CD2 3.91Å; I537-L651 CarbonylContact C-O 3.56Å; I537-L651 WeakPolarHBondContact CA-O 3.48Å; I537-L652 HydrophobicContact CD1-CD2 4.08Å
538	N	98.7	Very high	97	Very high	11 Å²	11	16.7 Å²	16.7	6%	0.059	10%	0.098	C	C	.	.			trans	-72.1	85.9	170.6	-168.2	-16.5	0	0	0	110.3	P540 V541 L542 G650 L651 L653	N538-P540 WeakPolarHBondContact OD1-CD 3.38Å; N538-V541 HydrophobicContact CB-CB 4.24Å; N538-V541 VanDerWaalsContact ND2-CG2 3.27Å; N538-V541 WeakPolarHBondContact ND2-CG2 3.29Å; N538-V541 PolarHBondContact O-N 2.85Å; N538-L542 WeakPolarHBondContact O-CB 3.31Å; N538-L542 PolarHBondContact O-N 3.17Å; N538-G650 WeakPolarHBondContact CB-O 3.44Å; N538-G650 PolarHBondContact ND2-O 2.88Å; N538-L651 PolarHBondContact N-O 3.45Å; N538-L653 HydrophobicContact CB-CD1 3.93Å; N538-L653 HydrophobicContact CB-CG 3.97Å
539	N	98.6	Very high	97	Very high	44 Å²	44	16.7 Å²	16.7	24%	0.235	10%	0.098	C	C	.	.	H	α-helix	trans	-56.1	-48.5	-175.2	-83.7	-49	0	0	0	114.2	I537 V541 L542 D543 R617	I537-N539 VanDerWaalsContact C-N 3.33Å; I537-N539 PolarHBondContact O-N 2.94Å; N539-V541 VanDerWaalsContact C-N 3.33Å; N539-V541 PolarHBondContact O-N 2.93Å; N539-L542 WeakPolarHBondContact O-CB 3.22Å; N539-L542 PolarHBondContact O-N 2.97Å; N539-D543 PolarHBondContact O-N 3.14Å; N539-R617 PolarHBondContact ND2-O 2.04Å; N539-R617 WeakPolarHBondContact OD1-CB 3.39Å; N539-R617 PolarHBondContact OD1-NE 3.03Å; N539-R617 PolarHBondContact OD1-NH2 2.82Å
540	P	98.3	Very high	96.9	Very high	68 Å²	68	20.4 Å²	20.4	44%	0.442	11%	0.111	S	C	.	.	H	α-helix	trans	-56.4	-43.7	177.5	-28.3	35.7	0	0	0	113.8	N538 D543 I544 M726	N538-P540 WeakPolarHBondContact OD1-CD 3.38Å; P540-D543 PolarHBondContact O-N 2.88Å; P540-I544 WeakPolarHBondContact O-CG1 3.32Å; P540-I544 PolarHBondContact O-N 3.36Å; P540-M726 HydrophobicContact CB-CE 4.18Å; P540-M726 HydrophobicContact CB-SD 3.76Å
541	V	98.6	Very high	96.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-69.6	-41.4	177.8	173	0	0	0	0	111.1	N538 N539 D543 I544 M545 W719 A723 M726	N538-V541 HydrophobicContact CB-CB 4.24Å; N538-V541 VanDerWaalsContact ND2-CG2 3.27Å; N538-V541 WeakPolarHBondContact ND2-CG2 3.29Å; N538-V541 PolarHBondContact O-N 2.85Å; N539-V541 VanDerWaalsContact C-N 3.33Å; N539-V541 PolarHBondContact O-N 2.93Å; V541-D543 VanDerWaalsContact C-N 3.32Å; V541-D543 PolarHBondContact O-N 2.94Å; V541-I544 PolarHBondContact O-N 2.84Å; V541-M545 HydrophobicContact CG1-CE 3.6Å; V541-M545 HydrophobicContact CG1-CG 4.36Å; V541-M545 HydrophobicContact CG1-SD 4.12Å; V541-M545 WeakPolarHBondContact O-CG 3.28Å; V541-M545 PolarHBondContact O-N 2.74Å; V541-W719 HydrophobicContact CG1-CE3 4.15Å; V541-A723 HydrophobicContact CG2-CB 3.88Å; V541-M726 HydrophobicContact CG2-SD 3.88Å
542	L	98.6	Very high	96.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-57.3	-45.1	175.5	176.7	63	0	0	0	111.5	I537 N538 N539 I544 M545 L546 L610 A613 N614 R617 L651	I537-L542 HydrophobicContact CG2-CB 4.31Å; I537-L542 HydrophobicContact CG2-CD2 3.84Å; N538-L542 WeakPolarHBondContact O-CB 3.31Å; N538-L542 PolarHBondContact O-N 3.17Å; N539-L542 WeakPolarHBondContact O-CB 3.22Å; N539-L542 PolarHBondContact O-N 2.97Å; L542-I544 VanDerWaalsContact C-N 3.28Å; L542-I544 PolarHBondContact O-N 3.18Å; L542-M545 PolarHBondContact O-N 3.4Å; L542-L546 HydrophobicContact CD1-CD1 3.99Å; L542-L546 HydrophobicContact CD1-CD2 4.4Å; L542-L546 HydrophobicContact CD1-CG 3.87Å; L542-L546 HydrophobicContact CD2-CD1 4.37Å; L542-L546 HydrophobicContact CG-CD1 3.82Å; L542-L546 HydrophobicContact CG-CG 4.14Å; L542-L546 WeakPolarHBondContact O-CB 3.35Å; L542-L546 WeakPolarHBondContact O-CG 3.36Å; L542-L546 PolarHBondContact O-N 3.13Å; L542-L610 HydrophobicContact CD1-CD2 4.01Å; L542-A613 HydrophobicContact CD1-CB 3.98Å; L542-A613 HydrophobicContact CD2-CB 4.4Å; L542-N614 HydrophobicContact CD2-CB 4.19Å; L542-R617 HydrophobicContact CD2-CB 4.25Å; L542-L651 HydrophobicContact CB-CD2 3.6Å; L542-L651 HydrophobicContact CD1-CD2 3.8Å; L542-L651 HydrophobicContact CG-CD2 4.28Å
543	D	98.5	Very high	96.2	Very high	75 Å²	75	35.5 Å²	35.5	40%	0.401	18%	0.183	S	C	.	.	H	α-helix	trans	-63.4	-35.6	-177.9	-72.8	-30.7	0	0	0	111.6	N539 P540 V541 S547 R617	N539-D543 PolarHBondContact O-N 3.14Å; P540-D543 PolarHBondContact O-N 2.88Å; V541-D543 VanDerWaalsContact C-N 3.32Å; V541-D543 PolarHBondContact O-N 2.94Å; D543-S547 PolarHBondContact O-N 2.83Å; D543-R617 IonicContact OD1-CZ 3.23Å; D543-R617 IonicContact OD1-NH2 3.82Å; D543-R617 PolarHBondContact OD1-NH2 3.22Å; D543-R617 IonicContact OD2-NH2 2.94Å; D543-R617 PolarHBondContact OD2-NH2 3.28Å
544	I	98.1	Very high	96.2	Very high	17 Å²	17	37.3 Å²	37.3	9%	0.087	19%	0.192	C	C	.	.	H	α-helix	trans	-70.7	-44.8	173.8	-63.1	165.3	0	0	0	111.6	P540 V541 L542 L546 S547 I548 P705 L706 W719 L722 M726	P540-I544 WeakPolarHBondContact O-CG1 3.32Å; P540-I544 PolarHBondContact O-N 3.36Å; V541-I544 PolarHBondContact O-N 2.84Å; L542-I544 VanDerWaalsContact C-N 3.28Å; L542-I544 PolarHBondContact O-N 3.18Å; I544-L546 VanDerWaalsContact C-N 3.26Å; I544-L546 PolarHBondContact O-N 3.04Å; I544-S547 PolarHBondContact O-N 3.17Å; I544-S547 PolarHBondContact O-OG 3.49Å; I544-I548 HydrophobicContact CG2-CD1 4.08Å; I544-I548 PolarHBondContact O-N 3.04Å; I544-I548 VanDerWaalsContact O-N 3.13Å; I544-P705 HydrophobicContact CD1-CB 3.8Å; I544-P705 HydrophobicContact CD1-CG 3.48Å; I544-P705 VanDerWaalsContact CD1-CG 3.48Å; I544-P705 HydrophobicContact CG1-CG 4.32Å; I544-L706 HydrophobicContact CG2-CD1 4.42Å; I544-L706 HydrophobicContact CG2-CD2 3.92Å; I544-L706 HydrophobicContact CG2-CG 4.26Å; I544-W719 HydrophobicContact CG2-CH2 4.28Å; I544-W719 HydrophobicContact CG2-CZ3 3.95Å; I544-L722 HydrophobicContact CD1-CD2 3.95Å; I544-L722 HydrophobicContact CG2-CD2 4.47Å; I544-M726 HydrophobicContact CD1-CE 3.44Å; I544-M726 VanDerWaalsContact CD1-CE 3.44Å
545	M	97.9	Very high	95.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.4	-40.7	175.3	-72	176.1	174.2	0	0	111.3	V541 L542 F549 L610 V647 L651 W719	V541-M545 HydrophobicContact CG1-CE 3.6Å; V541-M545 HydrophobicContact CG1-CG 4.36Å; V541-M545 HydrophobicContact CG1-SD 4.12Å; V541-M545 WeakPolarHBondContact O-CG 3.28Å; V541-M545 PolarHBondContact O-N 2.74Å; L542-M545 PolarHBondContact O-N 3.4Å; M545-F549 WeakPolarHBondContact O-CB 3.47Å; M545-F549 PolarHBondContact O-N 3.21Å; M545-L610 HydrophobicContact CB-CD2 3.86Å; M545-L610 HydrophobicContact SD-CD2 4.08Å; M545-V647 HydrophobicContact CE-CB 4.37Å; M545-V647 HydrophobicContact CE-CG1 4.1Å; M545-V647 WeakPolarHBondContact CE-O 3.15Å; M545-V647 HydrophobicContact SD-CG1 3.95Å; M545-L651 HydrophobicContact CE-CD2 4.45Å; M545-L651 HydrophobicContact CE-CG 4.07Å; M545-L651 HydrophobicContact SD-CD1 3.83Å; M545-L651 HydrophobicContact SD-CD2 3.59Å; M545-L651 VanDerWaalsContact SD-CD2 3.59Å; M545-L651 HydrophobicContact SD-CG 3.58Å; M545-L651 VanDerWaalsContact SD-CG 3.58Å; M545-W719 HydrophobicContact CB-CH2 4.32Å; M545-W719 HydrophobicContact CB-CZ3 4.47Å; M545-W719 HydrophobicContact CE-CB 3.58Å; M545-W719 HydrophobicContact CE-CD2 3.27Å; M545-W719 HydrophobicContact CE-CE3 3.46Å; M545-W719 VanDerWaalsContact CE-CE3 3.46Å; M545-W719 HydrophobicContact CE-CG 3.33Å; M545-W719 HydrophobicContact CE-CZ3 4.24Å; M545-W719 HydrophobicContact CG-CD2 4.01Å; M545-W719 HydrophobicContact CG-CE3 3.68Å; M545-W719 HydrophobicContact CG-CH2 3.57Å; M545-W719 HydrophobicContact CG-CZ2 3.94Å; M545-W719 HydrophobicContact CG-CZ3 3.44Å; M545-W719 VanDerWaalsContact CG-CZ3 3.44Å; M545-W719 HydrophobicContact SD-CD2 4.49Å; M545-W719 HydrophobicContact SD-CE3 4.45Å
546	L	97.1	Very high	95.4	Very high	1 Å²	1	49 Å²	49	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-66.7	-38.3	177.8	-74	177	0	0	0	112.2	V222 L542 I544 R550 L610 N614	V222-L546 HydrophobicContact CB-CD2 3.66Å; V222-L546 HydrophobicContact CG1-CD2 3.81Å; V222-L546 HydrophobicContact CG2-CD2 3.77Å; L542-L546 HydrophobicContact CD1-CD1 3.99Å; L542-L546 HydrophobicContact CD1-CD2 4.4Å; L542-L546 HydrophobicContact CD1-CG 3.87Å; L542-L546 HydrophobicContact CD2-CD1 4.37Å; L542-L546 HydrophobicContact CG-CD1 3.82Å; L542-L546 HydrophobicContact CG-CG 4.14Å; L542-L546 WeakPolarHBondContact O-CB 3.35Å; L542-L546 WeakPolarHBondContact O-CG 3.36Å; L542-L546 PolarHBondContact O-N 3.13Å; I544-L546 VanDerWaalsContact C-N 3.26Å; I544-L546 PolarHBondContact O-N 3.04Å; L546-R550 WeakPolarHBondContact O-CB 3.38Å; L546-R550 WeakPolarHBondContact O-CD 3.28Å; L546-R550 WeakPolarHBondContact O-CG 3.41Å; L546-R550 PolarHBondContact O-N 3.31Å; L546-L610 HydrophobicContact CD2-CB 4.04Å; L546-N614 HydrophobicContact CD1-CB 4.42Å
547	S	95.5	Very high	95.3	Very high	37 Å²	37	47.3 Å²	47.3	26%	0.259	25%	0.25	S	C	.	.	H	α-helix	trans	-62.4	-49.6	175.7	69.4	0	0	0	0	110.7	D543 I544 F549 R550 E551	D543-S547 PolarHBondContact O-N 2.83Å; I544-S547 PolarHBondContact O-N 3.17Å; I544-S547 PolarHBondContact O-OG 3.49Å; S547-F549 PolarHBondContact O-N 3.23Å; S547-R550 PolarHBondContact O-N 2.68Å; S547-E551 WeakPolarHBondContact O-CG 3.46Å; S547-E551 PolarHBondContact O-N 2.76Å
548	I	95.7	Very high	95	Very high	15 Å²	15	52.4 Å²	52.4	8%	0.077	28%	0.277	C	S	.	.	H	α-helix	trans	-62.7	-46.6	179	-68.7	163.5	0	0	0	111.7	I544 R550 E551 G553 D554 L557 I559 L706 W719	I544-I548 HydrophobicContact CG2-CD1 4.08Å; I544-I548 PolarHBondContact O-N 3.04Å; I544-I548 VanDerWaalsContact O-N 3.13Å; I548-R550 VanDerWaalsContact C-N 3.31Å; I548-R550 PolarHBondContact O-N 2.68Å; I548-E551 PolarHBondContact O-N 2.62Å; I548-G553 WeakPolarHBondContact O-CA 3.05Å; I548-G553 PolarHBondContact O-N 3.21Å; I548-D554 HydrophobicContact CG2-CB 3.79Å; I548-L557 HydrophobicContact CD1-CD1 4.01Å; I548-I559 HydrophobicContact CG2-CB 4.04Å; I548-I559 HydrophobicContact CG2-CG1 4.31Å; I548-I559 HydrophobicContact CG2-CG2 3.98Å; I548-L706 HydrophobicContact CD1-CD2 3.86Å; I548-L706 HydrophobicContact CG1-CD2 4.34Å; I548-W719 HydrophobicContact CD1-CH2 3.7Å; I548-W719 HydrophobicContact CD1-CZ2 4.39Å
549	F	95.3	Very high	94.9	Very high	5 Å²	5	52 Å²	52	2%	0.022	27%	0.274	C	S	.	.	H	α-helix	trans	-63.8	-35.9	-179.1	179.3	-100.9	0	0	0	112.9	V222 A223 M545 S547 E551 I559 W603 A606 L607 L610	V222-F549 HydrophobicContact CG2-CD1 4.23Å; V222-F549 HydrophobicContact CG2-CE1 4.09Å; A223-F549 HydrophobicContact CB-CE1 4.44Å; M545-F549 WeakPolarHBondContact O-CB 3.47Å; M545-F549 PolarHBondContact O-N 3.21Å; S547-F549 PolarHBondContact O-N 3.23Å; F549-E551 VanDerWaalsContact C-N 3.3Å; F549-I559 HydrophobicContact CB-CG2 3.82Å; F549-I559 HydrophobicContact CD2-CG2 3.92Å; F549-I559 HydrophobicContact CG-CG2 4.39Å; F549-W603 AromaticContact CE2-CD1 3.58Å; F549-W603 HydrophobicContact CE2-CG 4.37Å; F549-W603 AromaticContact CE2-NE1 3.43Å; F549-W603 AromaticContact CZ-CD1 3.91Å; F549-W603 HydrophobicContact CZ-CD2 4.41Å; F549-W603 AromaticContact CZ-CE2 3.69Å; F549-W603 HydrophobicContact CZ-CZ2 4.1Å; F549-W603 AromaticContact CZ-NE1 3.32Å; F549-W603 VanDerWaalsContact CZ-NE1 3.32Å; F549-A606 HydrophobicContact CD2-CB 4.19Å; F549-A606 HydrophobicContact CE2-CB 3.81Å; F549-L607 HydrophobicContact CE1-CD1 3.96Å; F549-L607 HydrophobicContact CZ-CB 3.95Å; F549-L607 HydrophobicContact CZ-CD1 4.07Å; F549-L610 HydrophobicContact CB-CD1 3.67Å; F549-L610 HydrophobicContact CD1-CD1 3.97Å; F549-L610 HydrophobicContact CD2-CD1 3.87Å; F549-L610 HydrophobicContact CG-CD1 3.55Å
550	R	91.5	Very high	94.7	Very high	90 Å²	90	50.4 Å²	50.4	34%	0.34	27%	0.267	S	S	.	.	H	α-helix	trans	-72.7	-24.9	178.4	-77	174.3	-178.4	152.4	4.8	112.4	V222 L224 L546 S547 I548	V222-R550 PolarHBondContact O-NE 2.81Å; L224-R550 HydrophobicContact CD1-CB 3.92Å; L224-R550 WeakPolarHBondContact CD1-O 3.22Å; L224-R550 HydrophobicContact CD2-CB 4.2Å; L224-R550 HydrophobicContact CD2-CG 4.07Å; L224-R550 HydrophobicContact CG-CB 3.66Å; L224-R550 HydrophobicContact CG-CG 3.84Å; L546-R550 WeakPolarHBondContact O-CB 3.38Å; L546-R550 WeakPolarHBondContact O-CD 3.28Å; L546-R550 WeakPolarHBondContact O-CG 3.41Å; L546-R550 PolarHBondContact O-N 3.31Å; S547-R550 PolarHBondContact O-N 2.68Å; I548-R550 VanDerWaalsContact C-N 3.31Å; I548-R550 PolarHBondContact O-N 2.68Å
551	E	89.2	Confident	94.4	Very high	140 Å²	140	48.7 Å²	48.7	65%	0.654	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-112.5	177.5	-68.6	178.9	-173.9	0	0	111.8	S547 I548 F549	S547-E551 WeakPolarHBondContact O-CG 3.46Å; S547-E551 PolarHBondContact O-N 2.76Å; I548-E551 PolarHBondContact O-N 2.62Å; F549-E551 VanDerWaalsContact C-N 3.3Å
552	K	89.1	Confident	93.9	Very high	167 Å²	167	48.9 Å²	48.9	73%	0.726	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	-0.1	-177.3	-68.3	-176.7	-178.8	175.8	0	113	P561	K552-P561 WeakPolarHBondContact O-CA 3.45Å; K552-P561 WeakPolarHBondContact O-CB 3.48Å
553	G	92.6	Very high	93.2	Very high	19 Å²	19	50.6 Å²	50.6	20%	0.196	27%	0.268	C	S	.	.			trans	66.7	179.1	-162.4	0	0	0	0	0	111.9	I548 I559	I548-G553 WeakPolarHBondContact O-CA 3.05Å; I548-G553 PolarHBondContact O-N 3.21Å; G553-I559 CarbonylContact C-O 3.48Å; G553-I559 VanDerWaalsContact CA-O 3.3Å; G553-I559 WeakPolarHBondContact CA-O 3.38Å
554	D	94.4	Very high	92.4	Very high	44 Å²	44	53.6 Å²	53.6	24%	0.235	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-147.4	107.1	175.4	-170.5	-25.7	0	0	0	107.7	I548 A556 L557 D558 I559 R710	I548-D554 HydrophobicContact CG2-CB 3.79Å; D554-A556 PolarHBondContact O-N 3.46Å; D554-A556 WeakPolarHBondContact OD1-CB 3.37Å; D554-A556 PolarHBondContact OD1-N 3.2Å; D554-A556 VanDerWaalsContact OD1-N 3.09Å; D554-L557 HydrophobicContact CB-CB 4.09Å; D554-L557 HydrophobicContact CB-CD1 4.1Å; D554-L557 HydrophobicContact CB-CG 4.19Å; D554-L557 CarbonylContact O-C 3.5Å; D554-L557 PolarHBondContact O-N 3.35Å; D554-L557 VanDerWaalsContact O-N 3.07Å; D554-L557 WeakPolarHBondContact OD2-CD1 3.37Å; D554-D558 PolarHBondContact O-N 3.35Å; D554-I559 CarbonylContact C-O 3.59Å; D554-I559 PolarHBondContact N-O 2.75Å; D554-I559 PolarHBondContact O-N 3.07Å; D554-R710 IonicContact OD2-NH2 3.84Å; D554-R710 PolarHBondContact OD2-NH2 2.94Å
555	E	89.3	Confident	91.8	Very high	175 Å²	175	56.1 Å²	56.1	82%	0.818	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-62	-33	-177.9	-175.5	178.1	-178.6	0	0	111.6	L557 D558	E555-L557 PolarHBondContact O-N 2.96Å; E555-D558 PolarHBondContact O-N 3.48Å
556	A	89.9	Confident	91.3	Very high	78 Å²	78	57.7 Å²	57.7	65%	0.645	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-70.3	-19.3	177.8	0	0	0	0	0	112.6	D554	D554-A556 PolarHBondContact O-N 3.46Å; D554-A556 WeakPolarHBondContact OD1-CB 3.37Å; D554-A556 PolarHBondContact OD1-N 3.2Å; D554-A556 VanDerWaalsContact OD1-N 3.09Å
557	L	95.2	Very high	90.9	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.005	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-106.8	15.2	177.7	-59.7	179.4	0	0	0	112.7	I548 D554 E555 I559 W712 T713 P718 W719	I548-L557 HydrophobicContact CD1-CD1 4.01Å; D554-L557 HydrophobicContact CB-CB 4.09Å; D554-L557 HydrophobicContact CB-CD1 4.1Å; D554-L557 HydrophobicContact CB-CG 4.19Å; D554-L557 CarbonylContact O-C 3.5Å; D554-L557 PolarHBondContact O-N 3.35Å; D554-L557 VanDerWaalsContact O-N 3.07Å; D554-L557 WeakPolarHBondContact OD2-CD1 3.37Å; E555-L557 PolarHBondContact O-N 2.96Å; L557-I559 HydrophobicContact CB-CG1 4.49Å; L557-I559 PolarHBondContact O-N 3.17Å; L557-W712 HydrophobicContact CD1-CH2 3.62Å; L557-W712 HydrophobicContact CD1-CZ2 4.38Å; L557-W712 HydrophobicContact CD1-CZ3 4.16Å; L557-W712 HydrophobicContact CD2-CE3 4.39Å; L557-W712 HydrophobicContact CD2-CH2 3.99Å; L557-W712 HydrophobicContact CD2-CZ3 3.66Å; L557-W712 HydrophobicContact CG-CH2 4.46Å; L557-T713 HydrophobicContact CD1-CG2 4.42Å; L557-T713 HydrophobicContact CD2-CG2 3.95Å; L557-P718 HydrophobicContact CD2-CB 3.73Å; L557-P718 HydrophobicContact CD2-CG 3.94Å; L557-W719 HydrophobicContact CB-CZ2 3.83Å; L557-W719 HydrophobicContact CD1-CH2 4.32Å; L557-W719 HydrophobicContact CD1-CZ2 4.05Å; L557-W719 HydrophobicContact CG-CZ2 4.5Å; L557-W719 PolarHBondContact O-NE1 2.88Å
558	D	93.4	Very high	90.4	Very high	114 Å²	114	63.3 Å²	63.3	61%	0.61	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	26.6	-177.6	-72.4	-34.4	0	0	0	114.1	D554 E555 P560	D554-D558 PolarHBondContact O-N 3.35Å; E555-D558 PolarHBondContact O-N 3.48Å; D558-P560 WeakPolarHBondContact O-CD 3.34Å
559	I	96.3	Very high	90.1	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.005	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-100.3	103	171.9	-56.7	-59	0	0	0	108.5	I548 F549 G553 D554 L557 V647 W719	I548-I559 HydrophobicContact CG2-CB 4.04Å; I548-I559 HydrophobicContact CG2-CG1 4.31Å; I548-I559 HydrophobicContact CG2-CG2 3.98Å; F549-I559 HydrophobicContact CB-CG2 3.82Å; F549-I559 HydrophobicContact CD2-CG2 3.92Å; F549-I559 HydrophobicContact CG-CG2 4.39Å; G553-I559 CarbonylContact C-O 3.48Å; G553-I559 VanDerWaalsContact CA-O 3.3Å; G553-I559 WeakPolarHBondContact CA-O 3.38Å; D554-I559 CarbonylContact C-O 3.59Å; D554-I559 PolarHBondContact N-O 2.75Å; D554-I559 PolarHBondContact O-N 3.07Å; L557-I559 HydrophobicContact CB-CG1 4.49Å; L557-I559 PolarHBondContact O-N 3.17Å; I559-V647 HydrophobicContact CD1-CG2 3.88Å; I559-W719 HydrophobicContact CD1-CZ2 3.96Å; I559-W719 HydrophobicContact CG1-CZ2 3.56Å
560	P	94.1	Very high	89.6	Confident	12 Å²	12	67 Å²	67	8%	0.078	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-67.3	142.2	-172	26.6	-36.3	0	0	0	112.2	D558 L602 W603 A606	D558-P560 WeakPolarHBondContact O-CD 3.34Å; P560-L602 HydrophobicContact CB-CB 3.95Å; P560-L602 HydrophobicContact CG-CB 4.15Å; P560-W603 HydrophobicContact CB-CB 4.28Å; P560-W603 VanDerWaalsContact CG-CA 3.45Å; P560-W603 HydrophobicContact CG-CB 4.14Å; P560-A606 HydrophobicContact CG-CB 3.75Å
561	P	91.9	Very high	89.2	Confident	31 Å²	31	72.1 Å²	72.1	20%	0.201	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-66.5	153.5	175.1	29.4	-37.4	0	0	0	111.9	K552 M566 N599	K552-P561 WeakPolarHBondContact O-CA 3.45Å; K552-P561 WeakPolarHBondContact O-CB 3.48Å; P561-M566 HydrophobicContact CB-CE 4.15Å; P561-M566 HydrophobicContact CG-CE 3.49Å; P561-M566 VanDerWaalsContact CG-CE 3.49Å; P561-N599 VanDerWaalsContact CD-OD1 3.3Å; P561-N599 WeakPolarHBondContact CD-OD1 3.45Å; P561-N599 WeakPolarHBondContact CG-OD1 3.44Å; P561-N599 PolarHBondContact O-ND2 3.3Å
562	P	88.1	Confident	88.8	Confident	4 Å²	4	71.5 Å²	71.5	3%	0.026	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-64.3	146.2	-179.5	23.2	-30.4	0	0	0	112.3	W564 T565	P562-W564 HydrophobicContact CB-CD2 3.82Å; P562-W564 VanDerWaalsContact CB-CE2 3.44Å; P562-W564 HydrophobicContact CB-CE3 4.03Å; P562-W564 HydrophobicContact CB-CH2 3.6Å; P562-W564 HydrophobicContact CB-CZ2 3.34Å; P562-W564 HydrophobicContact CB-CZ3 3.92Å; P562-W564 HydrophobicContact CG-CD2 4.47Å; P562-W564 HydrophobicContact CG-CZ2 3.84Å; P562-W564 PolarHBondContact O-N 3.37Å; P562-T565 HydrophobicContact CG-CG2 3.8Å; P562-T565 PolarHBondContact O-N 3.09Å; P562-T565 PolarHBondContact O-OG1 3.38Å
563	P	84.6	Confident	88.2	Confident	36 Å²	36	65.7 Å²	65.7	23%	0.234	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-58.9	-24.2	-169.7	-27.4	35.3	0	0	0	115.4	T565 M566 Y600 W603	P563-T565 VanDerWaalsContact C-N 3.33Å; P563-M566 WeakPolarHBondContact O-CB 3.28Å; P563-M566 WeakPolarHBondContact O-CG 3.48Å; P563-Y600 HydrophobicContact CB-CD2 4.08Å; P563-Y600 HydrophobicContact CG-CD2 3.72Å; P563-Y600 HydrophobicContact CG-CE2 4.29Å; P563-W603 VanDerWaalsContact CD-CD2 3.46Å; P563-W603 HydrophobicContact CG-CB 4.37Å; P563-W603 HydrophobicContact CG-CD2 3.76Å; P563-W603 HydrophobicContact CG-CE3 3.71Å; P563-W603 HydrophobicContact CG-CG 4.04Å; P563-W603 HydrophobicContact CG-CZ3 4.27Å
564	W	81.4	Confident	87.5	Confident	138 Å²	138	75.1 Å²	75.1	52%	0.523	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-79	-9.5	179.9	56.9	82.1	0	0	0	114.4	P562 M566 W603	P562-W564 HydrophobicContact CB-CD2 3.82Å; P562-W564 VanDerWaalsContact CB-CE2 3.44Å; P562-W564 HydrophobicContact CB-CE3 4.03Å; P562-W564 HydrophobicContact CB-CH2 3.6Å; P562-W564 HydrophobicContact CB-CZ2 3.34Å; P562-W564 HydrophobicContact CB-CZ3 3.92Å; P562-W564 HydrophobicContact CG-CD2 4.47Å; P562-W564 HydrophobicContact CG-CZ2 3.84Å; P562-W564 PolarHBondContact O-N 3.37Å; W564-M566 VanDerWaalsContact C-N 3.32Å; W564-W603 HydrophobicContact CZ3-CZ2 4.42Å
565	T	85.6	Confident	86.7	Confident	70 Å²	70	80.9 Å²	80.9	43%	0.429	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-84.8	-8.5	173	60.4	0	0	0	0	112.6	P562 P563	P562-T565 HydrophobicContact CG-CG2 3.8Å; P562-T565 PolarHBondContact O-N 3.09Å; P562-T565 PolarHBondContact O-OG1 3.38Å; P563-T565 VanDerWaalsContact C-N 3.33Å
566	M	86.8	Confident	86	Confident	33 Å²	33	84.9 Å²	84.9	16%	0.163	43%	0.426	C	S	.	.	S	Bend	trans	-66.5	144.3	178.7	-63.8	-63.4	99.5	0	0	112.2	P561 P563 W564 K596 N599	P561-M566 HydrophobicContact CB-CE 4.15Å; P561-M566 HydrophobicContact CG-CE 3.49Å; P561-M566 VanDerWaalsContact CG-CE 3.49Å; P563-M566 WeakPolarHBondContact O-CB 3.28Å; P563-M566 WeakPolarHBondContact O-CG 3.48Å; W564-M566 VanDerWaalsContact C-N 3.32Å; M566-K596 HydrophobicContact CB-CD 4.38Å; M566-K596 HydrophobicContact CB-CG 3.71Å; M566-K596 HydrophobicContact CG-CG 4.12Å; M566-N599 HydrophobicContact CE-CB 4.47Å; M566-N599 HydrophobicContact CG-CB 4.35Å; M566-N599 HydrophobicContact SD-CB 3.65Å
567	P	88.2	Confident	85.1	Confident	58 Å²	58	83.4 Å²	83.4	38%	0.377	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-62.5	146.2	-174.9	23.7	-32.3	0	0	0	112.9	I592 M595 K596	P567-I592 HydrophobicContact CG-CG2 4.38Å; P567-M595 VanDerWaalsContact CD-CE 3.43Å; P567-M595 HydrophobicContact CG-CE 3.26Å; P567-K596 WeakPolarHBondContact O-CE 3.43Å; P567-K596 PolarHBondContact O-NZ 3.17Å
568	S	86.7	Confident	84.5	Confident	98 Å²	98	87.4 Å²	87.4	69%	0.685	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-67.8	155.1	175.7	60	0	0	0	0	111.9
569	F	87.9	Confident	84	Confident	76 Å²	76	88.1 Å²	88.1	33%	0.333	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-64.1	147.9	174.4	-68.3	-61.1	0	0	0	111.4	K571 R589 I592 K593 K596	F569-K571 PolarHBondContact O-N 3.39Å; F569-R589 HydrophobicContact CD1-CG 4.06Å; F569-I592 HydrophobicContact CD1-CB 4.46Å; F569-I592 HydrophobicContact CD1-CG2 3.93Å; F569-I592 HydrophobicContact CE1-CG2 4.08Å; F569-K593 HydrophobicContact CE1-CB 3.91Å; F569-K593 HydrophobicContact CE1-CG 4.49Å; F569-K593 HydrophobicContact CZ-CB 4.45Å; F569-K596 HydrophobicContact CZ-CD 4.29Å
570	P	85.1	Confident	83.6	Confident	23 Å²	23	96.4 Å²	96.4	15%	0.149	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-60.3	135	174.7	26.9	-35.8	0	0	0	109.1	I572 Y585 E588 R589	P570-I572 PolarHBondContact O-N 3.03Å; P570-Y585 HydrophobicContact CB-CD2 4.06Å; P570-Y585 HydrophobicContact CB-CE2 3.72Å; P570-Y585 HydrophobicContact CG-CD2 3.99Å; P570-Y585 HydrophobicContact CG-CE2 3.59Å; P570-Y585 WeakPolarHBondContact O-CE2 3.48Å; P570-Y585 PolarHBondContact O-OH 3.17Å; P570-Y585 VanDerWaalsContact O-OH 3.1Å; P570-E588 HydrophobicContact CG-CG 4.49Å; P570-R589 HydrophobicContact CG-CB 3.94Å
571	K	84.2	Confident	83.1	Confident	196 Å²	196	100 Å²	100	85%	0.852	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-60.5	137.5	177.3	-68.9	-179.2	-178.5	174	0	108.7	F569 P573 Y585	F569-K571 PolarHBondContact O-N 3.39Å; K571-P573 VanDerWaalsContact O-CD 3.23Å; K571-P573 WeakPolarHBondContact O-CD 3.45Å; K571-P573 VanDerWaalsContact O-N 3.17Å; K571-Y585 WeakPolarHBondContact O-CE2 3.46Å
572	I	80.4	Confident	82.7	Confident	127 Å²	127	101.8 Å²	101.8	65%	0.651	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-58.6	122.2	173.8	-61.9	170.6	0	0	0	107.1	P570 K574 Y585	P570-I572 PolarHBondContact O-N 3.03Å; I572-K574 PolarHBondContact O-N 3.29Å; I572-Y585 WeakPolarHBondContact CG1-OH 3.32Å
573	P	77	Confident	82.6	Confident	45 Å²	45	104.3 Å²	104.3	29%	0.292	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-58.8	128.9	179.7	-30.1	42.4	0	0	0	110	K571 Q575 L577 Y585	K571-P573 VanDerWaalsContact O-CD 3.23Å; K571-P573 WeakPolarHBondContact O-CD 3.45Å; K571-P573 VanDerWaalsContact O-N 3.17Å; P573-Q575 VanDerWaalsContact C-N 3.29Å; P573-L577 HydrophobicContact CB-CD1 3.54Å; P573-L577 HydrophobicContact CB-CD2 4.07Å; P573-L577 HydrophobicContact CB-CG 3.69Å; P573-L577 HydrophobicContact CG-CD1 3.37Å; P573-L577 HydrophobicContact CG-CG 4.12Å; P573-Y585 HydrophobicContact CG-CD2 4.07Å; P573-Y585 HydrophobicContact CG-CE2 4.48Å; P573-Y585 HydrophobicContact CG-CG 4.48Å
574	K	76.5	Confident	82.7	Confident	218 Å²	218	105.3 Å²	105.3	95%	0.948	53%	0.528	S	S	*	.	S	Bend	trans	-72.7	-24	-178.5	-69	-174.4	178.4	-177.9	0	112.7	I572	I572-K574 PolarHBondContact O-N 3.29Å
575	Q	78.4	Confident	83	Confident	165 Å²	165	99.6 Å²	99.6	77%	0.771	51%	0.507	S	S	*	.	S	Bend	trans	-92.8	151.5	179.8	-69	172.3	-16.4	0	0	110.4	P573 L577	P573-Q575 VanDerWaalsContact C-N 3.29Å; Q575-L577 PolarHBondContact O-N 2.98Å
576	R	73.7	Confident	83.2	Confident	258 Å²	258	102 Å²	102	97%	0.974	51%	0.512	S	S	*	.			trans	-64.1	99.7	168.6	-85.7	-173.7	175.4	177.1	-0.4	108.5
577	L	71.2	Confident	83.4	Confident	48 Å²	48	106.9 Å²	106.9	25%	0.251	53%	0.532	S	S	.	.			trans	-68.5	153.4	172.4	-71.4	-177.8	0	0	0	111.2	P573 Q575 E581 M582	P573-L577 HydrophobicContact CB-CD1 3.54Å; P573-L577 HydrophobicContact CB-CD2 4.07Å; P573-L577 HydrophobicContact CB-CG 3.69Å; P573-L577 HydrophobicContact CG-CD1 3.37Å; P573-L577 HydrophobicContact CG-CG 4.12Å; Q575-L577 PolarHBondContact O-N 2.98Å; L577-E581 WeakPolarHBondContact CA-OE2 3.43Å; L577-E581 HydrophobicContact CB-CB 3.81Å; L577-E581 HydrophobicContact CD1-CB 3.87Å; L577-E581 HydrophobicContact CD2-CB 3.89Å; L577-E581 HydrophobicContact CD2-CG 4.37Å; L577-E581 VanDerWaalsContact CD2-OE2 3.26Å; L577-E581 WeakPolarHBondContact CD2-OE2 3.49Å; L577-E581 HydrophobicContact CG-CB 4.06Å; L577-M582 HydrophobicContact CB-CG 3.72Å; L577-M582 HydrophobicContact CB-SD 3.86Å; L577-M582 HydrophobicContact CD1-CG 4.35Å; L577-M582 HydrophobicContact CD1-SD 3.79Å; L577-M582 HydrophobicContact CG-SD 4.29Å
578	N	82.2	Confident	83.5	Confident	85 Å²	85	108.8 Å²	108.8	46%	0.455	54%	0.536	S	S	.	.			trans	-69.2	165	167.1	68.5	46.1	0	0	0	110.9	K580 E581 M582	N578-K580 PolarHBondContact O-N 2.89Å; N578-K580 VanDerWaalsContact O-N 3.14Å; N578-K580 WeakPolarHBondContact OD1-CA 3.36Å; N578-K580 WeakPolarHBondContact OD1-CB 3.49Å; N578-K580 PolarHBondContact OD1-N 3.26Å; N578-E581 VanDerWaalsContact CG-CD 3.5Å; N578-E581 PolarHBondContact N-OE2 3.23Å; N578-E581 PolarHBondContact ND2-OE1 2.98Å; N578-E581 VanDerWaalsContact ND2-OE1 3.14Å; N578-E581 PolarHBondContact ND2-OE2 2.83Å; N578-E581 PolarHBondContact O-N 3.28Å; N578-E581 WeakPolarHBondContact OD1-CG 3.4Å; N578-E581 PolarHBondContact OD1-N 3.07Å; N578-M582 PolarHBondContact O-N 3.16Å
579	T	84.2	Confident	83.6	Confident	128 Å²	128	108.7 Å²	108.7	79%	0.785	52%	0.52	S	S	*	.	H	α-helix	trans	-55.5	-33.8	-178.1	-48	0	0	0	0	113.2	A583	T579-A583 WeakPolarHBondContact O-CB 3.44Å; T579-A583 PolarHBondContact O-N 3.4Å
580	K	86.5	Confident	83.7	Confident	175 Å²	175	112.7 Å²	112.7	76%	0.761	53%	0.534	S	S	*	.	H	α-helix	trans	-73.3	-41.9	-178.6	-172.8	-179.7	179.1	-177.5	0	111.9	N578 A583 A584	N578-K580 PolarHBondContact O-N 2.89Å; N578-K580 VanDerWaalsContact O-N 3.14Å; N578-K580 WeakPolarHBondContact OD1-CA 3.36Å; N578-K580 WeakPolarHBondContact OD1-CB 3.49Å; N578-K580 PolarHBondContact OD1-N 3.26Å; K580-A583 PolarHBondContact O-N 3.04Å; K580-A584 WeakPolarHBondContact O-CB 3.21Å; K580-A584 PolarHBondContact O-N 2.84Å
581	E	83.9	Confident	83.9	Confident	88 Å²	88	116.5 Å²	116.5	41%	0.411	55%	0.55	S	S	.	*	H	α-helix	trans	-68	-40.7	175.6	-72.8	161.9	178.5	0	0	111.5	L577 N578 A583 A584 Y585	L577-E581 WeakPolarHBondContact CA-OE2 3.43Å; L577-E581 HydrophobicContact CB-CB 3.81Å; L577-E581 HydrophobicContact CD1-CB 3.87Å; L577-E581 HydrophobicContact CD2-CB 3.89Å; L577-E581 HydrophobicContact CD2-CG 4.37Å; L577-E581 VanDerWaalsContact CD2-OE2 3.26Å; L577-E581 WeakPolarHBondContact CD2-OE2 3.49Å; L577-E581 HydrophobicContact CG-CB 4.06Å; N578-E581 VanDerWaalsContact CG-CD 3.5Å; N578-E581 PolarHBondContact N-OE2 3.23Å; N578-E581 PolarHBondContact ND2-OE1 2.98Å; N578-E581 VanDerWaalsContact ND2-OE1 3.14Å; N578-E581 PolarHBondContact ND2-OE2 2.83Å; N578-E581 PolarHBondContact O-N 3.28Å; N578-E581 WeakPolarHBondContact OD1-CG 3.4Å; N578-E581 PolarHBondContact OD1-N 3.07Å; E581-A583 VanDerWaalsContact C-N 3.34Å; E581-A583 PolarHBondContact O-N 3.18Å; E581-A584 PolarHBondContact O-N 3.15Å; E581-Y585 WeakPolarHBondContact O-CB 3.42Å; E581-Y585 PolarHBondContact O-N 2.95Å
582	M	84.6	Confident	84.2	Confident	68 Å²	68	108.2 Å²	108.2	34%	0.335	52%	0.515	S	S	.	.	H	α-helix	trans	-61	-43.9	172.1	-75.8	-60.8	-65.7	0	0	111.4	L577 N578 A584 Y585 F586	L577-M582 HydrophobicContact CB-CG 3.72Å; L577-M582 HydrophobicContact CB-SD 3.86Å; L577-M582 HydrophobicContact CD1-CG 4.35Å; L577-M582 HydrophobicContact CD1-SD 3.79Å; L577-M582 HydrophobicContact CG-SD 4.29Å; N578-M582 PolarHBondContact O-N 3.16Å; M582-A584 VanDerWaalsContact C-N 3.35Å; M582-Y585 WeakPolarHBondContact O-CB 3.35Å; M582-Y585 PolarHBondContact O-N 3.04Å; M582-F586 HydrophobicContact CE-CD2 4.38Å; M582-F586 HydrophobicContact CE-CE2 3.49Å; M582-F586 VanDerWaalsContact CE-CE2 3.49Å; M582-F586 HydrophobicContact CE-CZ 3.83Å; M582-F586 WeakPolarHBondContact O-CD2 3.47Å; M582-F586 PolarHBondContact O-N 3.45Å
583	A	86.5	Confident	84.5	Confident	58 Å²	58	106.4 Å²	106.4	48%	0.479	50%	0.502	S	S	.	.	H	α-helix	trans	-62.7	-41	176	0	0	0	0	0	111.9	T579 K580 E581 F586 K587	T579-A583 WeakPolarHBondContact O-CB 3.44Å; T579-A583 PolarHBondContact O-N 3.4Å; K580-A583 PolarHBondContact O-N 3.04Å; E581-A583 VanDerWaalsContact C-N 3.34Å; E581-A583 PolarHBondContact O-N 3.18Å; A583-F586 PolarHBondContact O-N 3.46Å; A583-K587 VanDerWaalsContact O-CB 3.28Å; A583-K587 WeakPolarHBondContact O-CB 3.38Å; A583-K587 PolarHBondContact O-N 2.99Å
584	A	86.8	Confident	85.1	Confident	57 Å²	57	109.2 Å²	109.2	47%	0.471	51%	0.51	S	S	.	.	H	α-helix	trans	-63	-44.6	174.6	0	0	0	0	0	111.8	K580 E581 M582 K587 E588	K580-A584 WeakPolarHBondContact O-CB 3.21Å; K580-A584 PolarHBondContact O-N 2.84Å; E581-A584 PolarHBondContact O-N 3.15Å; M582-A584 VanDerWaalsContact C-N 3.35Å; A584-K587 WeakPolarHBondContact O-CB 3.3Å; A584-K587 PolarHBondContact O-N 3.24Å; A584-E588 WeakPolarHBondContact O-CB 3.31Å; A584-E588 PolarHBondContact O-N 2.88Å
585	Y	87.6	Confident	85.6	Confident	18 Å²	18	102.6 Å²	102.6	7%	0.071	48%	0.483	C	S	.	.	H	α-helix	trans	-58.3	-48.9	174.9	171	-96.7	0	0	0	112.3	P570 K571 I572 P573 E581 M582 K587 E588 R589	P570-Y585 HydrophobicContact CB-CD2 4.06Å; P570-Y585 HydrophobicContact CB-CE2 3.72Å; P570-Y585 HydrophobicContact CG-CD2 3.99Å; P570-Y585 HydrophobicContact CG-CE2 3.59Å; P570-Y585 WeakPolarHBondContact O-CE2 3.48Å; P570-Y585 PolarHBondContact O-OH 3.17Å; P570-Y585 VanDerWaalsContact O-OH 3.1Å; K571-Y585 WeakPolarHBondContact O-CE2 3.46Å; I572-Y585 WeakPolarHBondContact CG1-OH 3.32Å; P573-Y585 HydrophobicContact CG-CD2 4.07Å; P573-Y585 HydrophobicContact CG-CE2 4.48Å; P573-Y585 HydrophobicContact CG-CG 4.48Å; E581-Y585 WeakPolarHBondContact O-CB 3.42Å; E581-Y585 PolarHBondContact O-N 2.95Å; M582-Y585 WeakPolarHBondContact O-CB 3.35Å; M582-Y585 PolarHBondContact O-N 3.04Å; Y585-K587 VanDerWaalsContact C-N 3.3Å; Y585-K587 PolarHBondContact O-N 3.4Å; Y585-E588 PolarHBondContact O-N 2.81Å; Y585-R589 VanDerWaalsContact O-CB 3.25Å; Y585-R589 WeakPolarHBondContact O-CB 3.44Å; Y585-R589 PolarHBondContact O-N 3.39Å; Y585-R589 PolarHBondContact OH-NH1 3.37Å
586	F	89	Confident	86.1	Confident	121 Å²	121	97 Å²	97	53%	0.531	46%	0.457	S	S	.	.	H	α-helix	trans	-65	-36.2	178.5	-76.4	-59.7	0	0	0	112.1	M582 A583 Y590	M582-F586 HydrophobicContact CE-CD2 4.38Å; M582-F586 HydrophobicContact CE-CE2 3.49Å; M582-F586 VanDerWaalsContact CE-CE2 3.49Å; M582-F586 HydrophobicContact CE-CZ 3.83Å; M582-F586 WeakPolarHBondContact O-CD2 3.47Å; M582-F586 PolarHBondContact O-N 3.45Å; A583-F586 PolarHBondContact O-N 3.46Å; F586-Y590 VanDerWaalsContact O-CB 3.25Å; F586-Y590 WeakPolarHBondContact O-CB 3.38Å; F586-Y590 PolarHBondContact O-N 2.71Å
587	K	89.9	Confident	86.7	Confident	134 Å²	134	87.4 Å²	87.4	58%	0.583	42%	0.424	S	S	*	.	H	α-helix	trans	-64.6	-51.6	175.3	-176.7	-178.8	173.8	-173.7	0	111.6	A583 A584 Y585 R589 Y590 E591	A583-K587 VanDerWaalsContact O-CB 3.28Å; A583-K587 WeakPolarHBondContact O-CB 3.38Å; A583-K587 PolarHBondContact O-N 2.99Å; A584-K587 WeakPolarHBondContact O-CB 3.3Å; A584-K587 PolarHBondContact O-N 3.24Å; Y585-K587 VanDerWaalsContact C-N 3.3Å; Y585-K587 PolarHBondContact O-N 3.4Å; K587-R589 PolarHBondContact O-N 3.4Å; K587-Y590 WeakPolarHBondContact O-CB 3.49Å; K587-Y590 PolarHBondContact O-N 2.91Å; K587-Y590 VanDerWaalsContact O-N 3.16Å; K587-E591 WeakPolarHBondContact CE-OE1 3.5Å; K587-E591 WeakPolarHBondContact O-CG 3.1Å; K587-E591 PolarHBondContact O-N 3.48Å
588	E	90.3	Very high	87.5	Confident	98 Å²	98	90 Å²	90	46%	0.458	44%	0.435	S	S	.	.	H	α-helix	trans	-59.8	-46	177.8	-176.4	-172.4	175.4	0	0	111.2	P570 A584 Y585 Y590 E591 I592	P570-E588 HydrophobicContact CG-CG 4.49Å; A584-E588 WeakPolarHBondContact O-CB 3.31Å; A584-E588 PolarHBondContact O-N 2.88Å; Y585-E588 PolarHBondContact O-N 2.81Å; E588-Y590 VanDerWaalsContact C-N 3.28Å; E588-Y590 PolarHBondContact O-N 2.86Å; E588-E591 PolarHBondContact O-N 3.42Å; E588-I592 HydrophobicContact CG-CD1 4.34Å; E588-I592 PolarHBondContact O-N 2.94Å
589	R	90.2	Very high	87.9	Confident	96 Å²	96	86.7 Å²	86.7	36%	0.362	42%	0.418	S	S	.	.	H	α-helix	trans	-59.4	-40.5	176.4	-175.1	-179.2	175.8	129.3	0.5	111.8	F569 P570 Y585 K587 K593	F569-R589 HydrophobicContact CD1-CG 4.06Å; P570-R589 HydrophobicContact CG-CB 3.94Å; Y585-R589 VanDerWaalsContact O-CB 3.25Å; Y585-R589 WeakPolarHBondContact O-CB 3.44Å; Y585-R589 PolarHBondContact O-N 3.39Å; Y585-R589 PolarHBondContact OH-NH1 3.37Å; K587-R589 PolarHBondContact O-N 3.4Å; R589-K593 VanDerWaalsContact O-CB 3.27Å; R589-K593 WeakPolarHBondContact O-CB 3.48Å; R589-K593 PolarHBondContact O-N 3.28Å
590	Y	88.9	Confident	88.1	Confident	161 Å²	161	84.6 Å²	84.6	63%	0.631	40%	0.396	S	S	*	.	H	α-helix	trans	-66.4	-41.4	176.5	176.8	-97	0	0	0	111.9	F586 K587 E588 K593 K594	F586-Y590 VanDerWaalsContact O-CB 3.25Å; F586-Y590 WeakPolarHBondContact O-CB 3.38Å; F586-Y590 PolarHBondContact O-N 2.71Å; K587-Y590 WeakPolarHBondContact O-CB 3.49Å; K587-Y590 PolarHBondContact O-N 2.91Å; K587-Y590 VanDerWaalsContact O-N 3.16Å; E588-Y590 VanDerWaalsContact C-N 3.28Å; E588-Y590 PolarHBondContact O-N 2.86Å; Y590-K593 WeakPolarHBondContact O-CB 3.46Å; Y590-K593 PolarHBondContact O-N 2.78Å; Y590-K594 WeakPolarHBondContact O-CB 3.19Å; Y590-K594 PolarHBondContact O-N 3.23Å
591	E	90.9	Very high	88.2	Confident	103 Å²	103	80.1 Å²	80.1	48%	0.481	39%	0.387	S	S	.	.	H	α-helix	trans	-63.5	-46.9	176.9	-73	172	178.8	0	0	111.9	K587 E588 K593 K594 M595	K587-E591 WeakPolarHBondContact CE-OE1 3.5Å; K587-E591 WeakPolarHBondContact O-CG 3.1Å; K587-E591 PolarHBondContact O-N 3.48Å; E588-E591 PolarHBondContact O-N 3.42Å; E591-K593 VanDerWaalsContact C-N 3.31Å; E591-K593 PolarHBondContact O-N 2.89Å; E591-K594 PolarHBondContact O-N 3.29Å; E591-M595 WeakPolarHBondContact O-CB 3.4Å; E591-M595 PolarHBondContact O-N 3.02Å
592	I	90.6	Very high	88.6	Confident	22 Å²	22	81 Å²	81	11%	0.113	39%	0.394	C	S	.	.	H	α-helix	trans	-61.7	-40.6	174.8	-68.1	179.5	0	0	0	111.2	P567 F569 E588 M595 K596	P567-I592 HydrophobicContact CG-CG2 4.38Å; F569-I592 HydrophobicContact CD1-CB 4.46Å; F569-I592 HydrophobicContact CD1-CG2 3.93Å; F569-I592 HydrophobicContact CE1-CG2 4.08Å; E588-I592 HydrophobicContact CG-CD1 4.34Å; E588-I592 PolarHBondContact O-N 2.94Å; I592-M595 PolarHBondContact O-N 3.08Å; I592-K596 HydrophobicContact CG2-CD 4.4Å; I592-K596 WeakPolarHBondContact O-CG 3.35Å; I592-K596 PolarHBondContact O-N 3.3Å
593	K	86.6	Confident	89	Confident	88 Å²	88	79 Å²	79	38%	0.383	38%	0.383	S	S	.	.	H	α-helix	trans	-61.9	-47.4	176.9	-174.4	175	-179.3	175.8	0	111.4	E310 F569 R589 Y590 E591 K596 N597	E310-K593 WeakPolarHBondContact OE2-CE 3.48Å; E310-K593 IonicContact OE2-NZ 2.66Å; F569-K593 HydrophobicContact CE1-CB 3.91Å; F569-K593 HydrophobicContact CE1-CG 4.49Å; F569-K593 HydrophobicContact CZ-CB 4.45Å; R589-K593 VanDerWaalsContact O-CB 3.27Å; R589-K593 WeakPolarHBondContact O-CB 3.48Å; R589-K593 PolarHBondContact O-N 3.28Å; Y590-K593 WeakPolarHBondContact O-CB 3.46Å; Y590-K593 PolarHBondContact O-N 2.78Å; E591-K593 VanDerWaalsContact C-N 3.31Å; E591-K593 PolarHBondContact O-N 2.89Å; K593-K596 PolarHBondContact O-N 3.49Å; K593-N597 PolarHBondContact O-N 2.99Å; K593-N597 PolarHBondContact O-ND2 2.76Å
594	K	88.4	Confident	89.1	Confident	104 Å²	104	77.1 Å²	77.1	45%	0.452	37%	0.365	S	S	.	.	H	α-helix	trans	-58.2	-49.5	177.6	-179.4	-176.5	168.1	-171	0	111	Y590 E591 K596 N597 E598	Y590-K594 WeakPolarHBondContact O-CB 3.19Å; Y590-K594 PolarHBondContact O-N 3.23Å; E591-K594 PolarHBondContact O-N 3.29Å; K594-K596 PolarHBondContact O-N 3.11Å; K594-N597 PolarHBondContact O-N 3.48Å; K594-E598 WeakPolarHBondContact CE-OE1 3.38Å; K594-E598 IonicContact NZ-OE1 3.03Å; K594-E598 WeakPolarHBondContact O-CG 3.34Å; K594-E598 PolarHBondContact O-N 3.29Å
595	M	88.2	Confident	89.4	Confident	80 Å²	80	76.6 Å²	76.6	39%	0.394	36%	0.358	S	S	.	.	H	α-helix	trans	-59.8	-43.3	179.2	-175.6	176.5	69.8	0	0	112.5	P567 E591 I592 N597 E598 N599	P567-M595 VanDerWaalsContact CD-CE 3.43Å; P567-M595 HydrophobicContact CG-CE 3.26Å; E591-M595 WeakPolarHBondContact O-CB 3.4Å; E591-M595 PolarHBondContact O-N 3.02Å; I592-M595 PolarHBondContact O-N 3.08Å; M595-N597 VanDerWaalsContact C-N 3.31Å; M595-N597 PolarHBondContact O-N 3.37Å; M595-E598 PolarHBondContact O-N 3.46Å; M595-N599 WeakPolarHBondContact O-CB 3.22Å; M595-N599 PolarHBondContact O-N 2.81Å
596	K	88.1	Confident	89.8	Confident	48 Å²	48	76.1 Å²	76.1	21%	0.209	36%	0.358	C	S	.	.	H	α-helix	trans	-57.9	-41.8	175.2	-84.1	-178.6	171.2	172.7	0	113.1	M566 P567 F569 I592 K593 K594 Y600	M566-K596 HydrophobicContact CB-CD 4.38Å; M566-K596 HydrophobicContact CB-CG 3.71Å; M566-K596 HydrophobicContact CG-CG 4.12Å; P567-K596 WeakPolarHBondContact O-CE 3.43Å; P567-K596 PolarHBondContact O-NZ 3.17Å; F569-K596 HydrophobicContact CZ-CD 4.29Å; I592-K596 HydrophobicContact CG2-CD 4.4Å; I592-K596 WeakPolarHBondContact O-CG 3.35Å; I592-K596 PolarHBondContact O-N 3.3Å; K593-K596 PolarHBondContact O-N 3.49Å; K594-K596 PolarHBondContact O-N 3.11Å; K596-Y600 VanDerWaalsContact O-CB 3.28Å; K596-Y600 WeakPolarHBondContact O-CB 3.42Å; K596-Y600 PolarHBondContact O-N 2.92Å
597	N	85.3	Confident	90.1	Very high	55 Å²	55	71 Å²	71	29%	0.294	34%	0.336	S	S	.	.	H	α-helix	trans	-69.7	-44.1	179.7	-71.5	-26.2	0	0	0	112.6	E310 K593 K594 M595 Y600 S601	E310-N597 WeakPolarHBondContact CG-OD1 3.18Å; E310-N597 PolarHBondContact OE1-OD1 3.27Å; E310-N597 VanDerWaalsContact OE2-CG 3.24Å; E310-N597 PolarHBondContact OE2-ND2 3.04Å; E310-N597 PolarHBondContact OE2-OD1 3.3Å; K593-N597 PolarHBondContact O-N 2.99Å; K593-N597 PolarHBondContact O-ND2 2.76Å; K594-N597 PolarHBondContact O-N 3.48Å; M595-N597 VanDerWaalsContact C-N 3.31Å; M595-N597 PolarHBondContact O-N 3.37Å; N597-Y600 PolarHBondContact O-N 2.84Å; N597-S601 WeakPolarHBondContact O-CB 3.37Å; N597-S601 PolarHBondContact O-N 2.77Å
598	E	89.5	Confident	90.3	Very high	103 Å²	103	67.5 Å²	67.5	48%	0.481	32%	0.32	S	S	.	.	H	α-helix	trans	-60.8	-48.3	176.6	-71.4	173.5	167.5	0	0	109.8	K594 M595 Y600 S601 L602	K594-E598 WeakPolarHBondContact CE-OE1 3.38Å; K594-E598 IonicContact NZ-OE1 3.03Å; K594-E598 WeakPolarHBondContact O-CG 3.34Å; K594-E598 PolarHBondContact O-N 3.29Å; M595-E598 PolarHBondContact O-N 3.46Å; E598-Y600 PolarHBondContact O-N 3.39Å; E598-S601 PolarHBondContact O-N 2.9Å; E598-L602 WeakPolarHBondContact O-CG 3.42Å; E598-L602 PolarHBondContact O-N 3.49Å
599	N	90.7	Very high	90.7	Very high	16 Å²	16	63.8 Å²	63.8	9%	0.086	30%	0.302	C	S	.	.	H	α-helix	trans	-61.1	-44.5	175.9	-173.7	66.5	0	0	0	112.6	P561 M566 M595 S601 L602 W603	P561-N599 VanDerWaalsContact CD-OD1 3.3Å; P561-N599 WeakPolarHBondContact CD-OD1 3.45Å; P561-N599 WeakPolarHBondContact CG-OD1 3.44Å; P561-N599 PolarHBondContact O-ND2 3.3Å; M566-N599 HydrophobicContact CE-CB 4.47Å; M566-N599 HydrophobicContact CG-CB 4.35Å; M566-N599 HydrophobicContact SD-CB 3.65Å; M595-N599 WeakPolarHBondContact O-CB 3.22Å; M595-N599 PolarHBondContact O-N 2.81Å; N599-S601 VanDerWaalsContact C-N 3.32Å; N599-S601 PolarHBondContact O-N 3.41Å; N599-L602 PolarHBondContact O-N 2.99Å; N599-W603 VanDerWaalsContact O-CB 3.26Å; N599-W603 WeakPolarHBondContact O-CB 3.23Å; N599-W603 PolarHBondContact O-N 2.9Å
600	Y	87.7	Confident	91	Very high	83 Å²	83	59.2 Å²	59.2	33%	0.325	29%	0.285	S	S	.	.	H	α-helix	trans	-60.7	-42.1	178.7	-177.4	-103.4	0	0	0	111.9	P563 K596 N597 E598 W603 C604	P563-Y600 HydrophobicContact CB-CD2 4.08Å; P563-Y600 HydrophobicContact CG-CD2 3.72Å; P563-Y600 HydrophobicContact CG-CE2 4.29Å; K596-Y600 VanDerWaalsContact O-CB 3.28Å; K596-Y600 WeakPolarHBondContact O-CB 3.42Å; K596-Y600 PolarHBondContact O-N 2.92Å; N597-Y600 PolarHBondContact O-N 2.84Å; E598-Y600 PolarHBondContact O-N 3.39Å; Y600-W603 PolarHBondContact O-N 2.95Å; Y600-C604 VanDerWaalsContact CZ-SG 3.58Å; Y600-C604 WeakPolarHBondContact O-CB 3.36Å; Y600-C604 PolarHBondContact O-N 2.81Å; Y600-C604 PolarHBondContact O-SG 3.4Å; Y600-C604 VanDerWaalsContact O-SG 3.4Å
601	S	88.6	Confident	91.5	Very high	82 Å²	82	51.5 Å²	51.5	57%	0.573	25%	0.254	S	S	*	.	H	α-helix	trans	-63	-45.5	176.6	-172.6	0	0	0	0	112	N597 E598 N599 S605	N597-S601 WeakPolarHBondContact O-CB 3.37Å; N597-S601 PolarHBondContact O-N 2.77Å; E598-S601 PolarHBondContact O-N 2.9Å; N599-S601 VanDerWaalsContact C-N 3.32Å; N599-S601 PolarHBondContact O-N 3.41Å; S601-S605 PolarHBondContact O-N 3.32Å; S601-S605 VanDerWaalsContact O-N 3.08Å
602	L	92.5	Very high	91.8	Very high	106 Å²	106	46.6 Å²	46.6	56%	0.555	23%	0.232	S	C	*	.	H	α-helix	trans	-62.8	-45.2	176.5	-68.5	171.6	0	0	0	110.7	P560 E598 N599 C604 S605 A606	P560-L602 HydrophobicContact CB-CB 3.95Å; P560-L602 HydrophobicContact CG-CB 4.15Å; E598-L602 WeakPolarHBondContact O-CG 3.42Å; E598-L602 PolarHBondContact O-N 3.49Å; N599-L602 PolarHBondContact O-N 2.99Å; L602-C604 PolarHBondContact O-N 3Å; L602-S605 WeakPolarHBondContact O-CB 3.36Å; L602-S605 PolarHBondContact O-N 3.36Å; L602-S605 VanDerWaalsContact O-N 3.17Å; L602-A606 PolarHBondContact O-N 2.77Å
603	W	92	Very high	92.2	Very high	27 Å²	27	45.6 Å²	45.6	10%	0.102	23%	0.226	C	C	.	.	H	α-helix	trans	-61.8	-42.5	179	-173.9	83.5	0	0	0	112.9	A223 F549 P560 P563 W564 N599 Y600 A606 L607	A223-W603 HydrophobicContact CB-CH2 4.01Å; A223-W603 HydrophobicContact CB-CZ2 3.8Å; F549-W603 AromaticContact CE2-CD1 3.58Å; F549-W603 HydrophobicContact CE2-CG 4.37Å; F549-W603 AromaticContact CE2-NE1 3.43Å; F549-W603 AromaticContact CZ-CD1 3.91Å; F549-W603 HydrophobicContact CZ-CD2 4.41Å; F549-W603 AromaticContact CZ-CE2 3.69Å; F549-W603 HydrophobicContact CZ-CZ2 4.1Å; F549-W603 AromaticContact CZ-NE1 3.32Å; F549-W603 VanDerWaalsContact CZ-NE1 3.32Å; P560-W603 HydrophobicContact CB-CB 4.28Å; P560-W603 VanDerWaalsContact CG-CA 3.45Å; P560-W603 HydrophobicContact CG-CB 4.14Å; P563-W603 VanDerWaalsContact CD-CD2 3.46Å; P563-W603 HydrophobicContact CG-CB 4.37Å; P563-W603 HydrophobicContact CG-CD2 3.76Å; P563-W603 HydrophobicContact CG-CE3 3.71Å; P563-W603 HydrophobicContact CG-CG 4.04Å; P563-W603 HydrophobicContact CG-CZ3 4.27Å; W564-W603 HydrophobicContact CZ3-CZ2 4.42Å; N599-W603 VanDerWaalsContact O-CB 3.26Å; N599-W603 WeakPolarHBondContact O-CB 3.23Å; N599-W603 PolarHBondContact O-N 2.9Å; Y600-W603 PolarHBondContact O-N 2.95Å; W603-A606 PolarHBondContact O-N 3.45Å; W603-L607 HydrophobicContact CE3-CD2 4.49Å; W603-L607 HydrophobicContact CH2-CD2 3.83Å; W603-L607 HydrophobicContact CZ3-CD2 3.79Å; W603-L607 VanDerWaalsContact O-CB 3.27Å; W603-L607 WeakPolarHBondContact O-CB 3.23Å; W603-L607 PolarHBondContact O-N 3.03Å
604	C	90.3	Very high	92.8	Very high	17 Å²	17	43.3 Å²	43.3	12%	0.115	22%	0.218	C	C	.	.	H	α-helix	trans	-63.4	-40.4	173.6	-74.4	0	0	0	0	112.4	Y600 L602 L607 Y608	Y600-C604 VanDerWaalsContact CZ-SG 3.58Å; Y600-C604 WeakPolarHBondContact O-CB 3.36Å; Y600-C604 PolarHBondContact O-N 2.81Å; Y600-C604 PolarHBondContact O-SG 3.4Å; Y600-C604 VanDerWaalsContact O-SG 3.4Å; L602-C604 PolarHBondContact O-N 3Å; C604-L607 PolarHBondContact O-N 3.39Å; C604-Y608 VanDerWaalsContact O-CG 3.23Å; C604-Y608 PolarHBondContact O-N 3.09Å
605	S	93.2	Very high	93.2	Very high	47 Å²	47	41.9 Å²	41.9	33%	0.329	21%	0.213	S	C	.	.	H	α-helix	trans	-59.7	-50	175.3	176.1	0	0	0	0	111.4	S601 L602 L607 Y608 K609	S601-S605 PolarHBondContact O-N 3.32Å; S601-S605 VanDerWaalsContact O-N 3.08Å; L602-S605 WeakPolarHBondContact O-CB 3.36Å; L602-S605 PolarHBondContact O-N 3.36Å; L602-S605 VanDerWaalsContact O-N 3.17Å; S605-L607 PolarHBondContact O-N 3.42Å; S605-Y608 PolarHBondContact O-N 2.81Å; S605-K609 WeakPolarHBondContact O-CG 3.26Å; S605-K609 PolarHBondContact O-N 3.19Å; S605-K609 VanDerWaalsContact O-N 3.12Å; S605-K609 WeakPolarHBondContact OG-CE 3.3Å
606	A	95.6	Very high	93.7	Very high	7 Å²	7	38.2 Å²	38.2	6%	0.058	20%	0.195	C	C	.	.	H	α-helix	trans	-61.2	-43.5	175.8	0	0	0	0	0	112	F549 P560 L602 W603 Y608 K609 L610	F549-A606 HydrophobicContact CD2-CB 4.19Å; F549-A606 HydrophobicContact CE2-CB 3.81Å; P560-A606 HydrophobicContact CG-CB 3.75Å; L602-A606 PolarHBondContact O-N 2.77Å; W603-A606 PolarHBondContact O-N 3.45Å; A606-Y608 VanDerWaalsContact C-N 3.33Å; A606-Y608 PolarHBondContact O-N 2.89Å; A606-K609 PolarHBondContact O-N 3.11Å; A606-L610 WeakPolarHBondContact O-CB 3.49Å; A606-L610 VanDerWaalsContact O-CG 3.32Å; A606-L610 WeakPolarHBondContact O-CG 3.49Å; A606-L610 PolarHBondContact O-N 3.47Å
607	L	94.2	Very high	94.2	Very high	13 Å²	13	39.5 Å²	39.5	7%	0.068	20%	0.198	C	C	.	.	H	α-helix	trans	-56.3	-46.3	176.9	178.8	60.8	0	0	0	111.9	V222 A223 I466 F549 W603 C604 S605 S611	V222-L607 HydrophobicContact CG2-CD1 4.03Å; A223-L607 HydrophobicContact CB-CD1 3.74Å; I466-L607 HydrophobicContact CD1-CD1 4.49Å; I466-L607 HydrophobicContact CD1-CD2 4.02Å; I466-L607 HydrophobicContact CD1-CG 3.95Å; F549-L607 HydrophobicContact CE1-CD1 3.96Å; F549-L607 HydrophobicContact CZ-CB 3.95Å; F549-L607 HydrophobicContact CZ-CD1 4.07Å; W603-L607 HydrophobicContact CE3-CD2 4.49Å; W603-L607 HydrophobicContact CH2-CD2 3.83Å; W603-L607 HydrophobicContact CZ3-CD2 3.79Å; W603-L607 VanDerWaalsContact O-CB 3.27Å; W603-L607 WeakPolarHBondContact O-CB 3.23Å; W603-L607 PolarHBondContact O-N 3.03Å; C604-L607 PolarHBondContact O-N 3.39Å; S605-L607 PolarHBondContact O-N 3.42Å; L607-S611 WeakPolarHBondContact O-CB 3.23Å; L607-S611 PolarHBondContact O-N 2.88Å; L607-S611 PolarHBondContact O-OG 3.16Å
608	Y	95.2	Very high	94.8	Very high	62 Å²	62	43.4 Å²	43.4	24%	0.243	22%	0.219	C	C	.	.	H	α-helix	trans	-67	-46.8	-178.8	-63.9	-15.7	0	0	0	111.4	I466 F468 C604 S605 A606 L610 S611 V612 H639	I466-Y608 HydrophobicContact CD1-CD1 3.97Å; I466-Y608 HydrophobicContact CD1-CE1 4.11Å; I466-Y608 HydrophobicContact CG2-CD1 4.29Å; I466-Y608 HydrophobicContact CG2-CE1 3.99Å; F468-Y608 HydrophobicContact CE1-CD1 4.33Å; F468-Y608 HydrophobicContact CE1-CD2 4.49Å; F468-Y608 HydrophobicContact CE1-CG 4.11Å; F468-Y608 AromaticContact CZ-CD1 3.95Å; F468-Y608 HydrophobicContact CZ-CD1 3.95Å; F468-Y608 HydrophobicContact CZ-CG 4.06Å; C604-Y608 VanDerWaalsContact O-CG 3.23Å; C604-Y608 PolarHBondContact O-N 3.09Å; S605-Y608 PolarHBondContact O-N 2.81Å; A606-Y608 VanDerWaalsContact C-N 3.33Å; A606-Y608 PolarHBondContact O-N 2.89Å; Y608-L610 PolarHBondContact O-N 3.39Å; Y608-S611 PolarHBondContact O-N 2.92Å; Y608-V612 WeakPolarHBondContact O-CB 3.38Å; Y608-V612 VanDerWaalsContact O-CG2 3.23Å; Y608-V612 WeakPolarHBondContact O-CG2 3.31Å; Y608-V612 PolarHBondContact O-N 3.03Å; Y608-H639 AromaticContact CD2-CE1 3.65Å; Y608-H639 AromaticContact CD2-ND1 3.94Å
609	K	97.2	Very high	95.1	Very high	19 Å²	19	40 Å²	40	8%	0.083	20%	0.204	C	C	.	.	H	α-helix	trans	-56.3	-53.6	177.3	-69.7	169.3	-177.6	-168.9	0	112	S605 A606 V612 A613 H639 D645	S605-K609 WeakPolarHBondContact O-CG 3.26Å; S605-K609 PolarHBondContact O-N 3.19Å; S605-K609 VanDerWaalsContact O-N 3.12Å; S605-K609 WeakPolarHBondContact OG-CE 3.3Å; A606-K609 PolarHBondContact O-N 3.11Å; K609-V612 PolarHBondContact O-N 2.84Å; K609-A613 WeakPolarHBondContact O-CB 3.29Å; K609-A613 PolarHBondContact O-N 2.71Å; K609-H639 WeakPolarHBondContact CG-O 3.37Å; K609-D645 IonicContact NZ-OD1 3.89Å; K609-D645 PolarHBondContact NZ-OD1 2.95Å; K609-D645 IonicContact NZ-OD2 3.62Å; K609-D645 PolarHBondContact NZ-OD2 3.4Å
610	L	98.2	Very high	95.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-69.9	-34.8	-176.6	-64.2	174.3	0	0	0	112.3	V222 L542 M545 L546 F549 A606 Y608 N614 L651	V222-L610 HydrophobicContact CG2-CB 3.76Å; L542-L610 HydrophobicContact CD1-CD2 4.01Å; M545-L610 HydrophobicContact CB-CD2 3.86Å; M545-L610 HydrophobicContact SD-CD2 4.08Å; L546-L610 HydrophobicContact CD2-CB 4.04Å; F549-L610 HydrophobicContact CB-CD1 3.67Å; F549-L610 HydrophobicContact CD1-CD1 3.97Å; F549-L610 HydrophobicContact CD2-CD1 3.87Å; F549-L610 HydrophobicContact CG-CD1 3.55Å; A606-L610 WeakPolarHBondContact O-CB 3.49Å; A606-L610 VanDerWaalsContact O-CG 3.32Å; A606-L610 WeakPolarHBondContact O-CG 3.49Å; A606-L610 PolarHBondContact O-N 3.47Å; Y608-L610 PolarHBondContact O-N 3.39Å; L610-N614 WeakPolarHBondContact O-CB 3.45Å; L610-N614 PolarHBondContact O-N 3.37Å; L610-L651 HydrophobicContact CD2-CD1 4.2Å
611	S	97.9	Very high	96	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-68	-42.2	175.6	-56.7	0	0	0	0	111.9	V219 V222 L607 Y608 H615	V219-S611 WeakPolarHBondContact CG1-O 3.35Å; V222-S611 PolarHBondContact N-OG 2.62Å; L607-S611 WeakPolarHBondContact O-CB 3.23Å; L607-S611 PolarHBondContact O-N 2.88Å; L607-S611 PolarHBondContact O-OG 3.16Å; Y608-S611 PolarHBondContact O-N 2.92Å; S611-H615 WeakPolarHBondContact O-CB 3.38Å; S611-H615 PolarHBondContact O-N 2.96Å
612	V	98.4	Very high	96.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66.1	-46.8	176.1	172.3	0	0	0	0	110.4	F468 V473 P474 Y608 K609 N614 H615 Y616 L640	F468-V612 HydrophobicContact CD2-CG2 4.41Å; F468-V612 HydrophobicContact CE1-CG2 4.4Å; F468-V612 HydrophobicContact CE2-CG2 3.94Å; F468-V612 HydrophobicContact CZ-CG2 3.94Å; V473-V612 HydrophobicContact CG1-CG1 4.39Å; V473-V612 HydrophobicContact CG1-CG2 4.05Å; P474-V612 HydrophobicContact CG-CG1 4.24Å; Y608-V612 WeakPolarHBondContact O-CB 3.38Å; Y608-V612 VanDerWaalsContact O-CG2 3.23Å; Y608-V612 WeakPolarHBondContact O-CG2 3.31Å; Y608-V612 PolarHBondContact O-N 3.03Å; K609-V612 PolarHBondContact O-N 2.84Å; V612-N614 VanDerWaalsContact C-N 3.34Å; V612-N614 PolarHBondContact O-N 3.18Å; V612-H615 WeakPolarHBondContact O-CB 3.39Å; V612-H615 PolarHBondContact O-N 2.87Å; V612-H615 VanDerWaalsContact O-N 3.13Å; V612-Y616 HydrophobicContact CG1-CD2 3.89Å; V612-Y616 HydrophobicContact CG1-CE2 4.04Å; V612-Y616 VanDerWaalsContact O-CD2 3.31Å; V612-Y616 WeakPolarHBondContact O-CD2 3.46Å; V612-Y616 PolarHBondContact O-N 3.31Å; V612-Y616 VanDerWaalsContact O-N 3.14Å; V612-L640 HydrophobicContact CG1-CB 4.07Å; V612-L640 HydrophobicContact CG1-CD2 3.97Å
613	A	98.6	Very high	96.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-57.9	-46.1	176.7	0	0	0	0	0	111.7	I537 L542 K609 H615 Y616 R617 L640 L651	I537-A613 HydrophobicContact CD1-CB 4.22Å; I537-A613 HydrophobicContact CG2-CB 4.45Å; L542-A613 HydrophobicContact CD1-CB 3.98Å; L542-A613 HydrophobicContact CD2-CB 4.4Å; K609-A613 WeakPolarHBondContact O-CB 3.29Å; K609-A613 PolarHBondContact O-N 2.71Å; A613-H615 VanDerWaalsContact C-N 3.31Å; A613-H615 PolarHBondContact O-N 3.48Å; A613-Y616 PolarHBondContact O-N 3.25Å; A613-R617 WeakPolarHBondContact O-CA 3.2Å; A613-R617 PolarHBondContact O-N 3.16Å; A613-R617 VanDerWaalsContact O-N 3.09Å; A613-L640 HydrophobicContact CB-CD1 4.45Å; A613-L640 HydrophobicContact CB-CD2 3.84Å; A613-L651 HydrophobicContact CB-CD1 4.14Å
614	N	98.4	Very high	96.8	Very high	40 Å²	40	27.2 Å²	27.2	21%	0.214	14%	0.137	C	C	.	.	H	α-helix	trans	-66.8	-30.3	177.6	-177.6	74.9	0	0	0	113.3	V222 L542 L546 L610 V612 R617	V222-N614 HydrophobicContact CG1-CB 3.74Å; L542-N614 HydrophobicContact CD2-CB 4.19Å; L546-N614 HydrophobicContact CD1-CB 4.42Å; L610-N614 WeakPolarHBondContact O-CB 3.45Å; L610-N614 PolarHBondContact O-N 3.37Å; V612-N614 VanDerWaalsContact C-N 3.34Å; V612-N614 PolarHBondContact O-N 3.18Å; N614-R617 WeakPolarHBondContact O-CG 3.49Å
615	H	98.3	Very high	97.1	Very high	74 Å²	74	26.4 Å²	26.4	34%	0.343	13%	0.132	S	C	.	.	H	α-helix	trans	-67.3	-42	176.1	-174.3	80.9	0	0	0	112.1	V219 S611 V612 A613	V219-H615 HydrophobicContact CG1-CB 4.07Å; V219-H615 HydrophobicContact CG2-CB 4.28Å; S611-H615 WeakPolarHBondContact O-CB 3.38Å; S611-H615 PolarHBondContact O-N 2.96Å; V612-H615 WeakPolarHBondContact O-CB 3.39Å; V612-H615 PolarHBondContact O-N 2.87Å; V612-H615 VanDerWaalsContact O-N 3.13Å; A613-H615 VanDerWaalsContact C-N 3.31Å; A613-H615 PolarHBondContact O-N 3.48Å
616	Y	98.4	Very high	97.1	Very high	4 Å²	4	24.4 Å²	24.4	2%	0.016	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	16.3	-177.6	-65.6	-72.2	0	0	0	113.9	V473 P474 V476 V612 A613 N618 D619 I621	V473-Y616 HydrophobicContact CB-CE2 4.03Å; V473-Y616 WeakPolarHBondContact CG2-OH 3.5Å; P474-Y616 HydrophobicContact CG-CD2 4.27Å; P474-Y616 HydrophobicContact CG-CE2 4.41Å; V476-Y616 HydrophobicContact CG1-CD1 3.8Å; V476-Y616 HydrophobicContact CG1-CE1 3.41Å; V476-Y616 VanDerWaalsContact CG1-CE1 3.41Å; V612-Y616 HydrophobicContact CG1-CD2 3.89Å; V612-Y616 HydrophobicContact CG1-CE2 4.04Å; V612-Y616 VanDerWaalsContact O-CD2 3.31Å; V612-Y616 WeakPolarHBondContact O-CD2 3.46Å; V612-Y616 PolarHBondContact O-N 3.31Å; V612-Y616 VanDerWaalsContact O-N 3.14Å; A613-Y616 PolarHBondContact O-N 3.25Å; Y616-N618 PolarHBondContact O-N 3.09Å; Y616-D619 HydrophobicContact CD1-CB 4.24Å; Y616-D619 PolarHBondContact O-N 2.85Å; Y616-I621 HydrophobicContact CD1-CG2 4.04Å; Y616-I621 HydrophobicContact CG-CG2 3.99Å
617	R	98	Very high	97	Very high	74 Å²	74	24 Å²	24	28%	0.279	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-18.2	-170.4	74.6	176.1	-63.1	-163.5	10.6	115.7	N539 L542 D543 A613 N614	N539-R617 PolarHBondContact ND2-O 2.04Å; N539-R617 WeakPolarHBondContact OD1-CB 3.39Å; N539-R617 PolarHBondContact OD1-NE 3.03Å; N539-R617 PolarHBondContact OD1-NH2 2.82Å; L542-R617 HydrophobicContact CD2-CB 4.25Å; D543-R617 IonicContact OD1-CZ 3.23Å; D543-R617 IonicContact OD1-NH2 3.82Å; D543-R617 PolarHBondContact OD1-NH2 3.22Å; D543-R617 IonicContact OD2-NH2 2.94Å; D543-R617 PolarHBondContact OD2-NH2 3.28Å; A613-R617 WeakPolarHBondContact O-CA 3.2Å; A613-R617 PolarHBondContact O-N 3.16Å; A613-R617 VanDerWaalsContact O-N 3.09Å; N614-R617 WeakPolarHBondContact O-CG 3.49Å
618	N	97.3	Very high	96.9	Very high	137 Å²	137	24 Å²	24	73%	0.733	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117	10.5	179.9	-61.4	-31.4	0	0	0	112.2	Y616	Y616-N618 PolarHBondContact O-N 3.09Å
619	D	97.7	Very high	96.7	Very high	32 Å²	32	22.2 Å²	22.2	17%	0.171	11%	0.108	C	C	.	.	S	Bend	trans	-107.5	148.6	-179.2	-68.3	-65.6	0	0	0	110.4	R207 Y616 I621	R207-D619 IonicContact CZ-OD1 3.85Å; R207-D619 IonicContact NH1-OD1 3.94Å; R207-D619 PolarHBondContact NH1-OD1 3.3Å; R207-D619 IonicContact NH1-OD2 3.85Å; R207-D619 IonicContact NH2-OD1 2.92Å; R207-D619 PolarHBondContact NH2-OD1 3.37Å; Y616-D619 HydrophobicContact CD1-CB 4.24Å; Y616-D619 PolarHBondContact O-N 2.85Å; D619-I621 HydrophobicContact CB-CG2 4.11Å
620	I	97.6	Very high	96.4	Very high	42 Å²	42	23.2 Å²	23.2	22%	0.215	11%	0.111	C	C	.	.			trans	-79.7	133.4	157.5	-59.6	170.9	0	0	0	106.8	F196 P534 W535 V536 W622 A655	F196-I620 HydrophobicContact CE1-CB 4.43Å; F196-I620 HydrophobicContact CE1-CD1 3.61Å; F196-I620 HydrophobicContact CE1-CG2 4.38Å; F196-I620 HydrophobicContact CZ-CB 4.47Å; F196-I620 HydrophobicContact CZ-CD1 3.78Å; F196-I620 HydrophobicContact CZ-CG2 3.94Å; P534-I620 HydrophobicContact CB-CG2 3.67Å; W535-I620 WeakPolarHBondContact O-CA 3.26Å; V536-I620 HydrophobicContact CG1-CG1 3.97Å; I620-W622 HydrophobicContact CB-CH2 3.98Å; I620-W622 HydrophobicContact CB-CZ3 4.22Å; I620-W622 HydrophobicContact CG2-CH2 3.65Å; I620-W622 HydrophobicContact CG2-CZ2 3.82Å; I620-W622 HydrophobicContact CG2-CZ3 4.01Å; I620-W622 WeakPolarHBondContact O-CZ3 3.28Å; I620-A655 HydrophobicContact CG1-CB 4.32Å; I620-A655 HydrophobicContact CG2-CB 3.88Å
621	I	98.1	Very high	96.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-126.6	155	-174.7	62.5	176.6	0	0	0	112.4	P474 M475 W535 I537 Y616 D619 F623 L652	P474-I621 HydrophobicContact CB-CB 3.72Å; P474-I621 HydrophobicContact CB-CD1 4.05Å; P474-I621 HydrophobicContact CB-CG1 4.33Å; P474-I621 HydrophobicContact CB-CG2 4.08Å; P474-I621 HydrophobicContact CG-CD1 3.98Å; M475-I621 CarbonylContact O-C 3.55Å; M475-I621 VanDerWaalsContact O-CA 3.27Å; M475-I621 WeakPolarHBondContact O-CA 3.46Å; W535-I621 HydrophobicContact CB-CG1 3.91Å; W535-I621 PolarHBondContact N-O 3.1Å; W535-I621 PolarHBondContact O-N 3.21Å; I537-I621 HydrophobicContact CD1-CD1 3.91Å; Y616-I621 HydrophobicContact CD1-CG2 4.04Å; Y616-I621 HydrophobicContact CG-CG2 3.99Å; D619-I621 HydrophobicContact CB-CG2 4.11Å; I621-F623 HydrophobicContact CD1-CE2 4.43Å; I621-F623 HydrophobicContact CD1-CZ 3.82Å; I621-F623 HydrophobicContact CG1-CZ 4.38Å; I621-L652 HydrophobicContact CD1-CD2 4.18Å
622	W	97.6	Very high	95.9	Very high	3 Å²	3	25.9 Å²	25.9	1%	0.011	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-129.8	148.9	179.6	-64.3	-98.6	0	0	0	111.7	F196 M475 V476 C477 P478 P479 P534 I620 P624	F196-W622 AromaticContact CE1-CH2 3.68Å; F196-W622 HydrophobicContact CE1-CH2 3.68Å; F196-W622 AromaticContact CE1-CZ2 3.77Å; F196-W622 HydrophobicContact CE1-CZ2 3.77Å; F196-W622 HydrophobicContact CE2-CZ2 4.11Å; F196-W622 AromaticContact CZ-CH2 3.71Å; F196-W622 HydrophobicContact CZ-CH2 3.71Å; F196-W622 AromaticContact CZ-CZ2 3.31Å; F196-W622 HydrophobicContact CZ-CZ2 3.31Å; M475-W622 HydrophobicContact CB-CB 4.33Å; M475-W622 PolarHBondContact N-O 3.28Å; M475-W622 PolarHBondContact O-N 3.07Å; V476-W622 VanDerWaalsContact O-CZ3 3.22Å; V476-W622 WeakPolarHBondContact O-CZ3 3.46Å; C477-W622 VanDerWaalsContact CA-CZ3 3.43Å; P478-W622 VanDerWaalsContact CD-CZ2 3.43Å; P478-W622 HydrophobicContact CG-CH2 4.41Å; P478-W622 HydrophobicContact CG-CZ2 3.67Å; P479-W622 HydrophobicContact CG-CB 4Å; P534-W622 HydrophobicContact CB-CZ2 4.34Å; I620-W622 HydrophobicContact CB-CH2 3.98Å; I620-W622 HydrophobicContact CB-CZ3 4.22Å; I620-W622 HydrophobicContact CG2-CH2 3.65Å; I620-W622 HydrophobicContact CG2-CZ2 3.82Å; I620-W622 HydrophobicContact CG2-CZ3 4.01Å; I620-W622 WeakPolarHBondContact O-CZ3 3.28Å; W622-P624 WeakPolarHBondContact O-CD 3.41Å
623	F	97.2	Very high	95.8	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.122	C	C	.	.			trans	-113.6	99.8	177.6	-59.9	-68.4	0	0	0	110.1	P474 S531 W535 I621 H625 P635 P637 L640 H641 L652	P474-F623 HydrophobicContact CB-CD1 4.42Å; P474-F623 HydrophobicContact CB-CE1 3.99Å; P474-F623 HydrophobicContact CG-CE1 3.77Å; P474-F623 HydrophobicContact CG-CZ 4.4Å; S531-F623 WeakPolarHBondContact CA-O 3.18Å; S531-F623 WeakPolarHBondContact CB-O 2.96Å; S531-F623 PolarHBondContact OG-O 2.9Å; W535-F623 HydrophobicContact CB-CE2 4.07Å; W535-F623 AromaticContact CD1-CD2 3.48Å; W535-F623 VanDerWaalsContact CD1-CD2 3.48Å; W535-F623 AromaticContact CD1-CE2 3.6Å; W535-F623 HydrophobicContact CD2-CE2 4.18Å; W535-F623 HydrophobicContact CG-CD2 4.04Å; W535-F623 AromaticContact CG-CE2 3.68Å; W535-F623 HydrophobicContact CG-CE2 3.68Å; W535-F623 AromaticContact NE1-CD2 3.65Å; I621-F623 HydrophobicContact CD1-CE2 4.43Å; I621-F623 HydrophobicContact CD1-CZ 3.82Å; I621-F623 HydrophobicContact CG1-CZ 4.38Å; F623-H625 PolarHBondContact O-CE1 2.97Å; F623-H625 PolarHBondContact O-N 2.85Å; F623-H625 PolarHBondContact O-ND1 3.26Å; F623-P635 HydrophobicContact CB-CB 4.3Å; F623-P637 HydrophobicContact CD1-CG 4.24Å; F623-L640 WeakPolarHBondContact CE1-O 3.45Å; F623-H641 HydrophobicContact CD1-CB 4.05Å; F623-H641 HydrophobicContact CE1-CB 4.06Å; F623-L652 HydrophobicContact CE2-CD1 4.15Å; F623-L652 HydrophobicContact CE2-CD2 4.14Å; F623-L652 HydrophobicContact CZ-CD1 4.1Å; F623-L652 HydrophobicContact CZ-CD2 3.94Å
624	P	96.2	Very high	95.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.132	C	C	.	.			trans	-49.3	135.1	163.8	-36	42.8	0	0	0	112.3	M475 P479 Y489 Y490 W622 P635 C636	M475-P624 HydrophobicContact CG-CG 3.8Å; M475-P624 HydrophobicContact SD-CG 3.32Å; M475-P624 WeakPolarHBondContact SD-CG 3.5Å; P479-P624 HydrophobicContact CG-CG 4.18Å; Y489-P624 HydrophobicContact CD1-CB 3.36Å; Y489-P624 HydrophobicContact CD1-CG 4.01Å; Y489-P624 HydrophobicContact CE1-CB 4.1Å; Y489-P624 HydrophobicContact CG-CB 4.13Å; Y490-P624 HydrophobicContact CE1-CG 4.03Å; Y490-P624 HydrophobicContact CE2-CB 3.82Å; Y490-P624 HydrophobicContact CE2-CG 3.95Å; W622-P624 WeakPolarHBondContact O-CD 3.41Å; P624-P635 CarbonylContact O-C 3.56Å; P624-P635 WeakPolarHBondContact O-CA 3.41Å; P624-C636 HydrophobicContact CB-CB 4.07Å; P624-C636 PolarHBondContact O-N 3.06Å; P624-C636 PolarHBondContact O-SG 3.44Å
625	H	95.6	Very high	95.6	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	149.3	177.4	-71.7	85.4	0	0	0	110.9	W482 L527 S531 F623 Y634 P635 H642	W482-H625 PolarHBondContact NE1-O 2.51Å; L527-H625 HydrophobicContact CD2-CB 3.72Å; S531-H625 WeakPolarHBondContact OG-CB 3.24Å; S531-H625 PolarHBondContact OG-N 3.25Å; S531-H625 PolarHBondContact OG-ND1 3.46Å; F623-H625 PolarHBondContact O-CE1 2.97Å; F623-H625 PolarHBondContact O-N 2.85Å; F623-H625 PolarHBondContact O-ND1 3.26Å; H625-Y634 VanDerWaalsContact CA-O 3.3Å; H625-Y634 WeakPolarHBondContact CA-O 3.21Å; H625-P635 VanDerWaalsContact CD2-N 3.32Å; H625-H642 AromaticContact CE1-CE1 3.86Å; H625-H642 AromaticContact NE2-CE1 3.45Å; H625-H642 PolarHBondContact NE2-CE1 3.37Å
626	N	93.9	Very high	95.4	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.021	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	-175.2	163.4	60.7	-0.5	0	0	0	108.1	W482 P496 R499 V633 Y634	W482-N626 HydrophobicContact CZ2-CB 4.19Å; P496-N626 WeakPolarHBondContact O-CB 3.48Å; P496-N626 PolarHBondContact O-ND2 2.93Å; R499-N626 WeakPolarHBondContact CG-ND2 3.31Å; R499-N626 VanDerWaalsContact NE-CG 3.28Å; R499-N626 PolarHBondContact NE-ND2 3.5Å; R499-N626 PolarHBondContact NE-OD1 2.83Å; R499-N626 PolarHBondContact NH2-OD1 3.02Å; N626-V633 CarbonylContact O-C 3.6Å; N626-V633 WeakPolarHBondContact O-CA 3.18Å; N626-Y634 PolarHBondContact N-O 3.16Å; N626-Y634 VanDerWaalsContact N-O 3.1Å; N626-Y634 PolarHBondContact O-N 3.12Å; N626-Y634 PolarHBondContact OD1-O 3.49Å
627	L	92.9	Very high	95.3	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	160.3	-173.3	54.7	80.8	0	0	0	113.3	F497 I498 R499 A523 L527 R632 V633 F905 M970	F497-L627 HydrophobicContact CE1-CD2 4.37Å; F497-L627 HydrophobicContact CE2-CD2 4.48Å; F497-L627 HydrophobicContact CZ-CD2 4.01Å; F497-L627 PolarHBondContact O-N 3.4Å; F497-L627 VanDerWaalsContact O-N 3.17Å; I498-L627 CarbonylContact C-O 3.43Å; I498-L627 WeakPolarHBondContact CA-O 3.44Å; I498-L627 HydrophobicContact CB-CD1 4.3Å; I498-L627 HydrophobicContact CD1-CD1 4.34Å; I498-L627 HydrophobicContact CG1-CD1 3.77Å; I498-L627 HydrophobicContact CG2-CD1 4.29Å; R499-L627 PolarHBondContact N-O 3.25Å; A523-L627 HydrophobicContact CB-CD2 4.06Å; L527-L627 HydrophobicContact CD1-CD2 3.84Å; L527-L627 HydrophobicContact CD1-CG 4.21Å; L527-L627 HydrophobicContact CG-CD2 4.45Å; L627-R632 CarbonylContact C-O 3.49Å; L627-R632 WeakPolarHBondContact CA-O 3.21Å; L627-R632 WeakPolarHBondContact CB-O 3.38Å; L627-V633 HydrophobicContact CB-CG1 4.5Å; L627-F905 HydrophobicContact CD1-CE1 4.46Å; L627-F905 HydrophobicContact CD1-CE2 3.69Å; L627-F905 HydrophobicContact CD1-CZ 3.38Å; L627-F905 HydrophobicContact CD2-CE2 3.83Å; L627-F905 HydrophobicContact CD2-CZ 4.23Å; L627-F905 HydrophobicContact CG-CE2 4.47Å; L627-F905 HydrophobicContact CG-CZ 4.48Å; L627-M970 HydrophobicContact CD2-CE 4.39Å
628	D	91.6	Very high	95.1	Very high	11 Å²	11	24.1 Å²	24.1	6%	0.059	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	175.2	167.5	78.5	5.9	0	0	0	111.8	R630 G631 R632 Y634	D628-R630 PolarHBondContact O-N 3.44Å; D628-R630 WeakPolarHBondContact OD1-CA 3.37Å; D628-R630 WeakPolarHBondContact OD1-CB 3.29Å; D628-R630 PolarHBondContact OD1-N 3.17Å; D628-R630 IonicContact OD1-NE 3.08Å; D628-R630 IonicContact OD2-CZ 3.19Å; D628-R630 VanDerWaalsContact OD2-CZ 3.23Å; D628-R630 IonicContact OD2-NE 3.71Å; D628-R630 PolarHBondContact OD2-NE 3.19Å; D628-R630 IonicContact OD2-NH2 3.57Å; D628-R630 PolarHBondContact OD2-NH2 3.05Å; D628-G631 PolarHBondContact O-N 2.67Å; D628-G631 PolarHBondContact OD1-N 3.04Å; D628-G631 VanDerWaalsContact OD1-N 3.14Å; D628-R632 PolarHBondContact N-O 3.3Å; D628-R632 PolarHBondContact OD1-N 3.42Å; D628-Y634 HydrophobicContact CB-CE2 3.99Å
629	F	91.2	Very high	95	Very high	25 Å²	25	19.9 Å²	19.9	11%	0.11	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-10.1	-178.6	72.7	-86.7	0	0	0	115.3	I498 L500 V907 V908 P910	I498-F629 HydrophobicContact CG2-CB 4.15Å; L500-F629 HydrophobicContact CD2-CB 3.84Å; F629-V907 HydrophobicContact CD2-CG1 4.23Å; F629-V907 WeakPolarHBondContact O-CG1 3.41Å; F629-V908 VanDerWaalsContact CD2-O 3.25Å; F629-V908 WeakPolarHBondContact CD2-O 3.45Å; F629-P910 HydrophobicContact CD1-CG 3.77Å; F629-P910 HydrophobicContact CD2-CG 4.25Å; F629-P910 HydrophobicContact CE1-CG 3.66Å; F629-P910 HydrophobicContact CE2-CG 4.14Å; F629-P910 HydrophobicContact CG-CG 4.08Å; F629-P910 VanDerWaalsContact CZ-CD 3.46Å; F629-P910 HydrophobicContact CZ-CG 3.85Å
630	R	91.4	Very high	95	Very high	40 Å²	40	18.4 Å²	18.4	15%	0.151	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-4.4	-178.8	-54.4	165.9	-68	-175.6	-0.3	111.9	D628 N959 S963	D628-R630 PolarHBondContact O-N 3.44Å; D628-R630 WeakPolarHBondContact OD1-CA 3.37Å; D628-R630 WeakPolarHBondContact OD1-CB 3.29Å; D628-R630 PolarHBondContact OD1-N 3.17Å; D628-R630 IonicContact OD1-NE 3.08Å; D628-R630 IonicContact OD2-CZ 3.19Å; D628-R630 VanDerWaalsContact OD2-CZ 3.23Å; D628-R630 IonicContact OD2-NE 3.71Å; D628-R630 PolarHBondContact OD2-NE 3.19Å; D628-R630 IonicContact OD2-NH2 3.57Å; D628-R630 PolarHBondContact OD2-NH2 3.05Å; R630-N959 WeakPolarHBondContact CD-OD1 3.25Å; R630-N959 HydrophobicContact CG-CB 4.13Å; R630-N959 PolarHBondContact NH1-OD1 3.23Å; R630-S963 VanDerWaalsContact O-CA 3.26Å; R630-S963 WeakPolarHBondContact O-CA 3.38Å; R630-S963 WeakPolarHBondContact O-CB 3.41Å
631	G	92.8	Very high	95	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.01	9%	0.086	C	C	.	.	S	Bend	trans	95.9	1.8	-177	0	0	0	0	0	114.5	D628 V633 S966 M970	D628-G631 PolarHBondContact O-N 2.67Å; D628-G631 PolarHBondContact OD1-N 3.04Å; D628-G631 VanDerWaalsContact OD1-N 3.14Å; G631-V633 PolarHBondContact O-N 2.73Å; G631-S966 WeakPolarHBondContact O-CB 3.44Å; G631-M970 WeakPolarHBondContact O-CE 3.34Å
632	R	94	Very high	94.9	Very high	56 Å²	56	17.9 Å²	17.9	21%	0.211	9%	0.087	C	C	.	.			trans	-67.7	130	177.2	-65.1	-176.6	61.1	159	0	109.8	L627 D628 Y634 H962 S966 H987	L627-R632 CarbonylContact C-O 3.49Å; L627-R632 WeakPolarHBondContact CA-O 3.21Å; L627-R632 WeakPolarHBondContact CB-O 3.38Å; D628-R632 PolarHBondContact N-O 3.3Å; D628-R632 PolarHBondContact OD1-N 3.42Å; R632-Y634 HydrophobicContact CB-CE2 3.65Å; R632-Y634 PolarHBondContact NE-OH 2.86Å; R632-Y634 VanDerWaalsContact NE-OH 3.07Å; R632-Y634 WeakPolarHBondContact O-CD2 3.39Å; R632-Y634 WeakPolarHBondContact O-CE2 3.45Å; R632-H962 PolarHBondContact NH1-CE1 3.32Å; R632-S966 PolarHBondContact N-OG 3.5Å; R632-H987 WeakPolarHBondContact CG-NE2 3.17Å; R632-H987 VanDerWaalsContact CZ-CD2 3.5Å; R632-H987 PolarHBondContact NE-CD2 2.96Å
633	V	95.1	Very high	94.7	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.006	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	144.6	-177	-58.7	0	0	0	0	111.9	L527 L530 N626 L627 G631 M969 M970	L527-V633 HydrophobicContact CD2-CB 4Å; L527-V633 HydrophobicContact CD2-CG1 3.61Å; L530-V633 HydrophobicContact CD1-CB 4.08Å; L530-V633 HydrophobicContact CD1-CG1 4.21Å; L530-V633 HydrophobicContact CD1-CG2 3.67Å; N626-V633 CarbonylContact O-C 3.6Å; N626-V633 WeakPolarHBondContact O-CA 3.18Å; L627-V633 HydrophobicContact CB-CG1 4.5Å; G631-V633 PolarHBondContact O-N 2.73Å; V633-M969 HydrophobicContact CB-CE 4.22Å; V633-M969 HydrophobicContact CG1-CE 3.58Å; V633-M969 HydrophobicContact CG2-CE 3.55Å; V633-M969 HydrophobicContact CG2-SD 4.39Å; V633-M970 HydrophobicContact CG1-CE 4.4Å
634	Y	95.4	Very high	94.6	Very high	55 Å²	55	19.9 Å²	19.9	22%	0.216	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	134.2	-177.8	-63.6	-79.7	0	0	0	112.4	R499 H625 N626 D628 R632 M643	R499-Y634 PolarHBondContact NH2-O 3.5Å; H625-Y634 VanDerWaalsContact CA-O 3.3Å; H625-Y634 WeakPolarHBondContact CA-O 3.21Å; N626-Y634 PolarHBondContact N-O 3.16Å; N626-Y634 VanDerWaalsContact N-O 3.1Å; N626-Y634 PolarHBondContact O-N 3.12Å; N626-Y634 PolarHBondContact OD1-O 3.49Å; D628-Y634 HydrophobicContact CB-CE2 3.99Å; R632-Y634 HydrophobicContact CB-CE2 3.65Å; R632-Y634 PolarHBondContact NE-OH 2.86Å; R632-Y634 VanDerWaalsContact NE-OH 3.07Å; R632-Y634 WeakPolarHBondContact O-CD2 3.39Å; R632-Y634 WeakPolarHBondContact O-CE2 3.45Å; Y634-M643 HydrophobicContact CD1-CE 3.92Å; Y634-M643 HydrophobicContact CD1-SD 4.31Å; Y634-M643 HydrophobicContact CE1-CE 4.08Å
635	P	96.7	Very high	94.5	Very high	5 Å²	5	23.2 Å²	23.2	3%	0.032	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	136.5	162.1	-26.8	34.1	0	0	0	111.4	R499 F623 P624 H625 H641 M643	R499-P635 VanDerWaalsContact NH2-C 3.26Å; R499-P635 PolarHBondContact NH2-O 2.75Å; F623-P635 HydrophobicContact CB-CB 4.3Å; P624-P635 CarbonylContact O-C 3.56Å; P624-P635 WeakPolarHBondContact O-CA 3.41Å; H625-P635 VanDerWaalsContact CD2-N 3.32Å; P635-H641 HydrophobicContact CB-CB 3.73Å; P635-H641 HydrophobicContact CG-CB 3.84Å; P635-M643 WeakPolarHBondContact CD-SD 3.41Å; P635-M643 HydrophobicContact CG-CG 4.19Å; P635-M643 HydrophobicContact CG-SD 4.17Å
636	C	95.2	Very high	94.6	Very high	18 Å²	18	23.6 Å²	23.6	12%	0.122	12%	0.12	C	C	.	.	S	Bend	trans	-67.8	-45.4	175.3	-66.2	0	0	0	0	112.4	Y490 P624	Y490-C636 HydrophobicContact CE2-CB 4.25Å; P624-C636 HydrophobicContact CB-CB 4.07Å; P624-C636 PolarHBondContact O-N 3.06Å; P624-C636 PolarHBondContact O-SG 3.44Å
637	P	96.1	Very high	94.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.121	C	C	.	.			trans	-62.2	129.6	174.1	-24	37.1	0	0	0	110.9	T471 V473 F623 H641	T471-P637 WeakPolarHBondContact O-CA 3.2Å; V473-P637 VanDerWaalsContact O-CG 3.31Å; V473-P637 WeakPolarHBondContact O-CG 3.49Å; F623-P637 HydrophobicContact CD1-CG 4.24Å; P637-H641 PolarHBondContact O-CD2 3.43Å
638	P	94.2	Very high	95	Very high	76 Å²	76	23.7 Å²	23.7	49%	0.494	12%	0.121	S	C	.	.	S	Bend	trans	-92.9	-10.8	-172.1	35.3	-36.2	0	0	0	114.5	A472	A472-P638 HydrophobicContact CB-CG 4.48Å
639	H	95.2	Very high	95.3	Very high	47 Å²	47	25.4 Å²	25.4	22%	0.218	13%	0.126	C	C	.	.	S	Bend	trans	-98.9	-67	-170.7	-59.7	-52.9	0	0	0	112	F468 Y608 K609 C648	F468-H639 AromaticContact CD1-CD2 3.89Å; F468-H639 AromaticContact CE1-CD2 3.61Å; F468-H639 AromaticContact CE1-NE2 3.75Å; Y608-H639 AromaticContact CD2-CE1 3.65Å; Y608-H639 AromaticContact CD2-ND1 3.94Å; K609-H639 WeakPolarHBondContact CG-O 3.37Å; H639-C648 PolarHBondContact O-SG 2.86Å; H639-C648 VanDerWaalsContact O-SG 3.41Å
640	L	97.8	Very high	95.6	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	12%	0.122	C	C	.	.	S	Bend	trans	-106.8	118.1	179.4	178.6	68.9	0	0	0	109.1	I537 V612 A613 F623 C648 L651	I537-L640 HydrophobicContact CD1-CD2 3.91Å; V612-L640 HydrophobicContact CG1-CB 4.07Å; V612-L640 HydrophobicContact CG1-CD2 3.97Å; A613-L640 HydrophobicContact CB-CD1 4.45Å; A613-L640 HydrophobicContact CB-CD2 3.84Å; F623-L640 WeakPolarHBondContact CE1-O 3.45Å; L640-C648 HydrophobicContact CD1-CB 4.48Å; L640-L651 HydrophobicContact CD1-CB 4.46Å; L640-L651 HydrophobicContact CD1-CD1 4.23Å
641	H	97	Very high	96	Very high	30 Å²	30	22.4 Å²	22.4	14%	0.139	12%	0.115	C	C	.	.	S	Bend	trans	-170.3	160.6	173.7	56.9	80	0	0	0	110	F623 P635 P637 M643 G644 C648	F623-H641 HydrophobicContact CD1-CB 4.05Å; F623-H641 HydrophobicContact CE1-CB 4.06Å; P635-H641 HydrophobicContact CB-CB 3.73Å; P635-H641 HydrophobicContact CG-CB 3.84Å; P637-H641 PolarHBondContact O-CD2 3.43Å; H641-M643 VanDerWaalsContact C-N 3.29Å; H641-M643 WeakPolarHBondContact ND1-CB 3.45Å; H641-M643 PolarHBondContact ND1-N 3.45Å; H641-M643 PolarHBondContact O-N 3.27Å; H641-G644 PolarHBondContact CE1-N 2.97Å; H641-G644 PolarHBondContact ND1-N 2.99Å; H641-G644 PolarHBondContact O-N 3.46Å; H641-C648 WeakPolarHBondContact O-CB 3.29Å
642	H	95.5	Very high	96.2	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.009	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-24.4	-174.9	65.7	-64.1	0	0	0	114.1	W535 H625 G644 R649 L652 S985 W991	W535-H642 HydrophobicContact CH2-CB 3.83Å; W535-H642 HydrophobicContact CZ2-CB 4.09Å; W535-H642 AromaticContact CZ2-CG 3.94Å; W535-H642 HydrophobicContact CZ3-CB 4.34Å; H625-H642 AromaticContact CE1-CE1 3.86Å; H625-H642 AromaticContact NE2-CE1 3.45Å; H625-H642 PolarHBondContact NE2-CE1 3.37Å; H642-G644 PolarHBondContact O-N 2.99Å; H642-R649 WeakPolarHBondContact O-CG 3.33Å; H642-L652 HydrophobicContact CB-CD1 4.05Å; H642-L652 VanDerWaalsContact N-CD1 3.25Å; H642-S985 PolarHBondContact NE2-O 3.32Å; H642-W991 HydrophobicContact CB-CZ3 4.3Å
643	M	94.5	Very high	96.5	Very high	30 Å²	30	20.7 Å²	20.7	15%	0.148	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	0.8	170.6	-61.8	-174.5	66.5	0	0	114.5	Y634 P635 H641 V986	Y634-M643 HydrophobicContact CD1-CE 3.92Å; Y634-M643 HydrophobicContact CD1-SD 4.31Å; Y634-M643 HydrophobicContact CE1-CE 4.08Å; P635-M643 WeakPolarHBondContact CD-SD 3.41Å; P635-M643 HydrophobicContact CG-CG 4.19Å; P635-M643 HydrophobicContact CG-SD 4.17Å; H641-M643 VanDerWaalsContact C-N 3.29Å; H641-M643 WeakPolarHBondContact ND1-CB 3.45Å; H641-M643 PolarHBondContact ND1-N 3.45Å; H641-M643 PolarHBondContact O-N 3.27Å; M643-V986 HydrophobicContact CB-CG1 4.08Å; M643-V986 HydrophobicContact CB-CG2 4.46Å; M643-V986 HydrophobicContact CE-CG1 3.93Å; M643-V986 HydrophobicContact CG-CB 4.27Å; M643-V986 HydrophobicContact CG-CG1 3.98Å; M643-V986 HydrophobicContact CG-CG2 4.06Å
644	G	94.6	Very high	96.6	Very high	14 Å²	14	20.8 Å²	20.8	14%	0.144	11%	0.11	C	C	.	.	S	Bend	trans	-69.6	-171.3	178.5	0	0	0	0	0	113.1	H641 H642 R649	H641-G644 PolarHBondContact CE1-N 2.97Å; H641-G644 PolarHBondContact ND1-N 2.99Å; H641-G644 PolarHBondContact O-N 3.46Å; H642-G644 PolarHBondContact O-N 2.99Å; G644-R649 PolarHBondContact O-NE 3.27Å; G644-R649 VanDerWaalsContact O-NE 3.07Å
645	D	95.1	Very high	96.7	Very high	70 Å²	70	18.5 Å²	18.5	37%	0.374	10%	0.103	S	C	.	.			trans	-71.3	176.9	171.9	54.9	-0.4	0	0	0	111.8	K609 V647 C648 R649	K609-D645 IonicContact NZ-OD1 3.89Å; K609-D645 PolarHBondContact NZ-OD1 2.95Å; K609-D645 IonicContact NZ-OD2 3.62Å; K609-D645 PolarHBondContact NZ-OD2 3.4Å; D645-V647 PolarHBondContact O-N 3.39Å; D645-V647 VanDerWaalsContact O-N 3.13Å; D645-C648 WeakPolarHBondContact O-CB 3.46Å; D645-C648 PolarHBondContact O-N 3.13Å; D645-C648 PolarHBondContact OD1-N 2.94Å; D645-R649 WeakPolarHBondContact O-CG 3.47Å; D645-R649 PolarHBondContact O-N 3.22Å
646	D	97.2	Very high	96.7	Very high	10 Å²	10	20.5 Å²	20.5	5%	0.053	11%	0.111	C	C	.	.	H	α-helix	trans	-50.9	-37.7	-178.2	-173.4	44.5	0	0	0	112.8	C648 R649 G650 E717 P718 W719 Q720	D646-C648 PolarHBondContact O-N 3.34Å; D646-R649 PolarHBondContact O-N 3.33Å; D646-G650 PolarHBondContact O-N 2.95Å; D646-E717 WeakPolarHBondContact CB-OE2 3.32Å; D646-P718 WeakPolarHBondContact OD2-CD 3.23Å; D646-P718 VanDerWaalsContact OD2-N 3.16Å; D646-W719 VanDerWaalsContact OD2-CB 3.28Å; D646-W719 WeakPolarHBondContact OD2-CB 3.38Å; D646-W719 VanDerWaalsContact OD2-CD1 3.26Å; D646-W719 PolarHBondContact OD2-N 2.73Å; D646-Q720 WeakPolarHBondContact OD1-CB 3.4Å; D646-Q720 WeakPolarHBondContact OD1-CG 3.26Å; D646-Q720 PolarHBondContact OD1-N 2.94Å; D646-Q720 VanDerWaalsContact OD1-N 3.09Å; D646-Q720 PolarHBondContact OD1-NE2 2.88Å
647	V	97.5	Very high	96.7	Very high	6 Å²	6	20 Å²	20	4%	0.036	11%	0.108	C	C	.	.	H	α-helix	trans	-56.8	-51.6	173	174.3	0	0	0	0	111.5	M545 I559 D645 R649 L651	M545-V647 HydrophobicContact CE-CB 4.37Å; M545-V647 HydrophobicContact CE-CG1 4.1Å; M545-V647 WeakPolarHBondContact CE-O 3.15Å; M545-V647 HydrophobicContact SD-CG1 3.95Å; I559-V647 HydrophobicContact CD1-CG2 3.88Å; D645-V647 PolarHBondContact O-N 3.39Å; D645-V647 VanDerWaalsContact O-N 3.13Å; V647-R649 VanDerWaalsContact C-N 3.34Å; V647-R649 PolarHBondContact O-N 3.35Å; V647-L651 HydrophobicContact CG1-CD1 4.16Å; V647-L651 WeakPolarHBondContact O-CD1 3.38Å; V647-L651 WeakPolarHBondContact O-CG 3.03Å; V647-L651 PolarHBondContact O-N 3.26Å
648	C	97.9	Very high	96.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.1	-38.3	178.2	-73.1	0	0	0	0	112.3	H639 L640 H641 D645 D646 L651 L652	H639-C648 PolarHBondContact O-SG 2.86Å; H639-C648 VanDerWaalsContact O-SG 3.41Å; L640-C648 HydrophobicContact CD1-CB 4.48Å; H641-C648 WeakPolarHBondContact O-CB 3.29Å; D645-C648 WeakPolarHBondContact O-CB 3.46Å; D645-C648 PolarHBondContact O-N 3.13Å; D645-C648 PolarHBondContact OD1-N 2.94Å; D646-C648 PolarHBondContact O-N 3.34Å; C648-L651 PolarHBondContact O-N 2.81Å; C648-L652 WeakPolarHBondContact O-CG 3.37Å
649	R	97.6	Very high	96.8	Very high	47 Å²	47	22.1 Å²	22.1	18%	0.177	11%	0.114	C	C	.	.	H	α-helix	trans	-69.9	-41.7	-177.9	-66.3	-176.6	-176	-162.1	1.7	112.4	H642 G644 D645 D646 V647 L651 L652 Q720 W991	H642-R649 WeakPolarHBondContact O-CG 3.33Å; G644-R649 PolarHBondContact O-NE 3.27Å; G644-R649 VanDerWaalsContact O-NE 3.07Å; D645-R649 WeakPolarHBondContact O-CG 3.47Å; D645-R649 PolarHBondContact O-N 3.22Å; D646-R649 PolarHBondContact O-N 3.33Å; V647-R649 VanDerWaalsContact C-N 3.34Å; V647-R649 PolarHBondContact O-N 3.35Å; R649-L651 PolarHBondContact O-N 2.91Å; R649-L652 PolarHBondContact O-N 2.7Å; R649-Q720 VanDerWaalsContact CB-CD 3.42Å; R649-Q720 HydrophobicContact CB-CG 3.64Å; R649-W991 HydrophobicContact CB-CH2 4.04Å; R649-W991 HydrophobicContact CG-CH2 3.79Å; R649-W991 HydrophobicContact CG-CZ2 4.29Å
650	G	97.7	Very high	96.9	Very high	2 Å²	2	20 Å²	20	2%	0.021	10%	0.104	C	C	.	.	H	α-helix	trans	-65.7	-19.9	175	0	0	0	0	0	114	N538 D646	N538-G650 WeakPolarHBondContact CB-O 3.44Å; N538-G650 PolarHBondContact ND2-O 2.88Å; D646-G650 PolarHBondContact O-N 2.95Å
651	L	98.6	Very high	96.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-11	-179.3	-76.6	172.1	0	0	0	114.9	I537 N538 L542 M545 L610 A613 L640 V647 C648 R649	I537-L651 CarbonylContact C-O 3.56Å; I537-L651 WeakPolarHBondContact CA-O 3.48Å; N538-L651 PolarHBondContact N-O 3.45Å; L542-L651 HydrophobicContact CB-CD2 3.6Å; L542-L651 HydrophobicContact CD1-CD2 3.8Å; L542-L651 HydrophobicContact CG-CD2 4.28Å; M545-L651 HydrophobicContact CE-CD2 4.45Å; M545-L651 HydrophobicContact CE-CG 4.07Å; M545-L651 HydrophobicContact SD-CD1 3.83Å; M545-L651 HydrophobicContact SD-CD2 3.59Å; M545-L651 VanDerWaalsContact SD-CD2 3.59Å; M545-L651 HydrophobicContact SD-CG 3.58Å; M545-L651 VanDerWaalsContact SD-CG 3.58Å; L610-L651 HydrophobicContact CD2-CD1 4.2Å; A613-L651 HydrophobicContact CB-CD1 4.14Å; L640-L651 HydrophobicContact CD1-CB 4.46Å; L640-L651 HydrophobicContact CD1-CD1 4.23Å; V647-L651 HydrophobicContact CG1-CD1 4.16Å; V647-L651 WeakPolarHBondContact O-CD1 3.38Å; V647-L651 WeakPolarHBondContact O-CG 3.03Å; V647-L651 PolarHBondContact O-N 3.26Å; C648-L651 PolarHBondContact O-N 2.81Å; R649-L651 PolarHBondContact O-N 2.91Å
652	L	98.5	Very high	96.9	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	125.8	-168.6	-69.2	171.4	0	0	0	111.8	W535 I537 I621 F623 H642 C648 R649	W535-L652 HydrophobicContact CE3-CB 3.8Å; W535-L652 HydrophobicContact CZ3-CB 4.07Å; I537-L652 HydrophobicContact CD1-CD2 4.08Å; I621-L652 HydrophobicContact CD1-CD2 4.18Å; F623-L652 HydrophobicContact CE2-CD1 4.15Å; F623-L652 HydrophobicContact CE2-CD2 4.14Å; F623-L652 HydrophobicContact CZ-CD1 4.1Å; F623-L652 HydrophobicContact CZ-CD2 3.94Å; H642-L652 HydrophobicContact CB-CD1 4.05Å; H642-L652 VanDerWaalsContact N-CD1 3.25Å; C648-L652 WeakPolarHBondContact O-CG 3.37Å; R649-L652 PolarHBondContact O-N 2.7Å
653	L	98.6	Very high	96.9	Very high	20 Å²	20	32.7 Å²	32.7	11%	0.105	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	155.1	175.1	-57.5	172.5	0	0	0	109.9	W535 V536 N538 H744 F745	W535-L653 CarbonylContact C-O 3.49Å; W535-L653 WeakPolarHBondContact CA-O 3.37Å; V536-L653 HydrophobicContact CG2-CB 3.96Å; V536-L653 PolarHBondContact N-O 2.92Å; V536-L653 PolarHBondContact O-N 3.43Å; N538-L653 HydrophobicContact CB-CD1 3.93Å; N538-L653 HydrophobicContact CB-CG 3.97Å; L653-H744 HydrophobicContact CB-CB 4.2Å; L653-F745 HydrophobicContact CD2-CD2 3.81Å
654	F	98.2	Very high	97.1	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.009	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	135.3	170.1	-65.9	-47.3	0	0	0	110.1	T533 W535 K656 H744 P746 T982 A984 W991 H993	T533-F654 HydrophobicContact CG2-CD1 3.82Å; T533-F654 HydrophobicContact CG2-CE1 3.82Å; W535-F654 HydrophobicContact CE3-CD1 4.19Å; W535-F654 HydrophobicContact CH2-CD1 4.02Å; W535-F654 AromaticContact CH2-CE1 3.53Å; W535-F654 HydrophobicContact CH2-CE1 3.53Å; W535-F654 HydrophobicContact CH2-CZ 4.37Å; W535-F654 HydrophobicContact CZ2-CD1 4.31Å; W535-F654 AromaticContact CZ2-CE1 3.86Å; W535-F654 HydrophobicContact CZ2-CE1 3.86Å; W535-F654 AromaticContact CZ3-CD1 3.95Å; W535-F654 HydrophobicContact CZ3-CD1 3.95Å; W535-F654 AromaticContact CZ3-CE1 3.89Å; W535-F654 HydrophobicContact CZ3-CE1 3.89Å; F654-K656 PolarHBondContact O-N 3.3Å; F654-H744 PolarHBondContact N-O 2.71Å; F654-H744 WeakPolarHBondContact O-CB 3.41Å; F654-H744 PolarHBondContact O-ND1 3.49Å; F654-P746 HydrophobicContact CD2-CB 4.18Å; F654-P746 HydrophobicContact CE2-CB 3.65Å; F654-P746 HydrophobicContact CZ-CB 3.84Å; F654-T982 HydrophobicContact CD1-CG2 3.62Å; F654-T982 HydrophobicContact CD2-CG2 4.15Å; F654-T982 HydrophobicContact CE1-CG2 3.47Å; F654-T982 VanDerWaalsContact CE1-CG2 3.47Å; F654-T982 HydrophobicContact CE2-CG2 4Å; F654-T982 HydrophobicContact CG-CG2 3.97Å; F654-T982 HydrophobicContact CZ-CG2 3.65Å; F654-A984 HydrophobicContact CE1-CB 4.32Å; F654-W991 HydrophobicContact CZ-CB 4.5Å; F654-H993 AromaticContact CD2-CE1 3.47Å; F654-H993 VanDerWaalsContact CD2-CE1 3.47Å; F654-H993 WeakPolarHBondContact CD2-CE1 3.12Å; F654-H993 AromaticContact CD2-ND1 3.87Å; F654-H993 AromaticContact CD2-NE2 3.73Å
655	A	97.4	Very high	97.3	Very high	8 Å²	8	31.9 Å²	31.9	7%	0.066	16%	0.155	C	C	.	.	S	Bend	trans	-65.7	-41	-180	0	0	0	0	0	111.9	L195 P534 V536 I620 H744	L195-A655 HydrophobicContact CD1-CB 3.96Å; L195-A655 HydrophobicContact CD2-CB 4.44Å; P534-A655 HydrophobicContact CB-CB 3.73Å; P534-A655 HydrophobicContact CG-CB 3.97Å; P534-A655 WeakPolarHBondContact O-CB 3.34Å; P534-A655 PolarHBondContact O-N 2.96Å; V536-A655 HydrophobicContact CG1-CB 3.8Å; I620-A655 HydrophobicContact CG1-CB 4.32Å; I620-A655 HydrophobicContact CG2-CB 3.88Å; A655-H744 PolarHBondContact O-CE1 3.45Å; A655-H744 PolarHBondContact O-ND1 2.86Å
656	K	95.6	Very high	97.4	Very high	46 Å²	46	31.5 Å²	31.5	20%	0.2	15%	0.151	C	C	.	.	S	Bend	trans	-88.5	121.6	172.3	-177.9	66.3	174.3	-172	0	108.8	W189 T191 D193 L195 F654 H993	W189-K656 HydrophobicContact CH2-CG 4.34Å; W189-K656 HydrophobicContact CZ2-CB 4.49Å; W189-K656 HydrophobicContact CZ2-CG 3.64Å; T191-K656 WeakPolarHBondContact O-CB 3.34Å; D193-K656 WeakPolarHBondContact O-CD 3.43Å; D193-K656 VanDerWaalsContact O-CE 3.29Å; D193-K656 WeakPolarHBondContact O-CE 3.36Å; D193-K656 PolarHBondContact O-NZ 3.34Å; D193-K656 IonicContact OD2-NZ 2.76Å; L195-K656 HydrophobicContact CD1-CB 3.81Å; L195-K656 HydrophobicContact CD2-CB 4.26Å; L195-K656 HydrophobicContact CD2-CD 4.38Å; L195-K656 HydrophobicContact CG-CB 4.09Å; L195-K656 HydrophobicContact CG-CD 4.28Å; F654-K656 PolarHBondContact O-N 3.3Å; K656-H993 PolarHBondContact O-CE1 3.15Å; K656-H993 PolarHBondContact O-NE2 3.41Å
657	G	96.1	Very high	97.4	Very high	7 Å²	7	31.5 Å²	31.5	7%	0.072	15%	0.151	C	C	.	.			trans	-84.8	162.2	171.3	0	0	0	0	0	111.9	S743 H744	G657-S743 CarbonylContact C-O 3.4Å; G657-S743 WeakPolarHBondContact CA-O 3.36Å; G657-H744 PolarHBondContact N-CE1 2.91Å; G657-H744 PolarHBondContact N-ND1 2.97Å
658	R	95.7	Very high	97.5	Very high	56 Å²	56	31.2 Å²	31.2	21%	0.211	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	140.7	174.9	-170.2	172.3	174.6	151.9	-2	109.9	W189 L660 S743 H993 S995	W189-R658 HydrophobicContact CZ2-CB 4.41Å; R658-L660 PolarHBondContact O-N 3.43Å; R658-S743 PolarHBondContact N-O 3.44Å; R658-S743 PolarHBondContact O-N 3.01Å; R658-H993 HydrophobicContact CB-CB 4.1Å; R658-S995 VanDerWaalsContact CD-OG 3.28Å; R658-S995 WeakPolarHBondContact CD-OG 3.35Å; R658-S995 WeakPolarHBondContact CG-OG 3.42Å; R658-S995 PolarHBondContact NE-OG 2.84Å
659	V	96.5	Very high	97.5	Very high	65 Å²	65	32.3 Å²	32.3	39%	0.394	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	134.3	174.6	179.1	0	0	0	0	109.4	D739 Y741 V742 S995	V659-D739 WeakPolarHBondContact CG1-O 3.09Å; V659-Y741 WeakPolarHBondContact CA-O 3.16Å; V659-V742 HydrophobicContact CG2-CG2 4.01Å; V659-S995 VanDerWaalsContact O-CB 3.24Å; V659-S995 WeakPolarHBondContact O-CB 3.47Å; V659-S995 PolarHBondContact O-OG 2.74Å; V659-S995 VanDerWaalsContact O-OG 3.05Å
660	L	97.6	Very high	97.5	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.016	15%	0.146	C	C	.	.			trans	-67.5	-45.8	-176.3	-78	-180	0	0	0	112.7	R658 G664 F665 L668 A731 Y741 S743 A994 S995	R658-L660 PolarHBondContact O-N 3.43Å; L660-G664 WeakPolarHBondContact O-CA 3.44Å; L660-G664 PolarHBondContact O-N 3.07Å; L660-F665 HydrophobicContact CD1-CB 4.32Å; L660-F665 HydrophobicContact CD1-CD2 4.07Å; L660-L668 HydrophobicContact CD1-CD2 4.19Å; L660-A731 HydrophobicContact CD1-CB 3.82Å; L660-Y741 HydrophobicContact CD1-CD1 3.79Å; L660-Y741 HydrophobicContact CG-CD1 4.28Å; L660-Y741 PolarHBondContact N-O 3.41Å; L660-S743 VanDerWaalsContact CD2-CB 3.42Å; L660-A994 HydrophobicContact CD2-CB 3.79Å; L660-S995 WeakPolarHBondContact O-CB 3.44Å
661	G	97.3	Very high	97.5	Very high	27 Å²	27	30.2 Å²	30.2	28%	0.278	15%	0.145	S	C	.	.	H	α-helix	trans	60	175	-162.3	0	0	0	0	0	112.3	R663 G664 F665 D739	G661-R663 PolarHBondContact O-N 3.23Å; G661-G664 PolarHBondContact O-N 2.84Å; G661-F665 PolarHBondContact O-N 3.1Å; G661-F665 VanDerWaalsContact O-N 3.11Å; G661-D739 VanDerWaalsContact CA-O 3.29Å; G661-D739 WeakPolarHBondContact CA-O 3.09Å; G661-D739 PolarHBondContact N-O 3.45Å
662	K	96.8	Very high	97.4	Very high	160 Å²	160	30.2 Å²	30.2	70%	0.696	15%	0.145	S	C	*	.	H	α-helix	trans	-60.5	-49.6	-178.6	-64.8	-177.2	179.3	-178.8	0	112.1	F665 E666 D739	K662-F665 PolarHBondContact O-N 3.18Å; K662-E666 PolarHBondContact O-N 2.87Å; K662-E666 VanDerWaalsContact O-N 3.15Å; K662-D739 HydrophobicContact CG-CB 4.2Å
663	R	96.7	Very high	97.4	Very high	113 Å²	113	30.1 Å²	30.1	43%	0.426	15%	0.145	S	C	.	.	H	α-helix	trans	-64.4	-39.6	179.2	-74.3	-66	-61.4	159.6	-4.2	113	G661 F665 E666 W667 D998	G661-R663 PolarHBondContact O-N 3.23Å; R663-F665 VanDerWaalsContact C-N 3.32Å; R663-F665 PolarHBondContact O-N 3.44Å; R663-E666 WeakPolarHBondContact CD-OE2 3.43Å; R663-E666 IonicContact CZ-OE2 2.62Å; R663-E666 IonicContact NE-OE2 2.92Å; R663-E666 IonicContact NH1-OE2 3.1Å; R663-E666 PolarHBondContact NH1-OE2 3.43Å; R663-E666 WeakPolarHBondContact O-CB 3.31Å; R663-E666 PolarHBondContact O-N 2.74Å; R663-W667 VanDerWaalsContact O-CD1 3.29Å; R663-W667 PolarHBondContact O-N 3.37Å; R663-D998 IonicContact CZ-OD2 4Å; R663-D998 IonicContact NE-OD2 2.67Å; R663-D998 PolarHBondContact NE-OD2 3.14Å; R663-D998 VanDerWaalsContact NE-OD2 3.15Å; R663-D998 IonicContact NH2-OD1 2.99Å; R663-D998 PolarHBondContact NH2-OD1 3.27Å; R663-D998 IonicContact NH2-OD2 3.27Å; R663-D998 PolarHBondContact NH2-OD2 3.19Å
664	G	97.9	Very high	97.2	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-66	-36	177.2	0	0	0	0	0	112.2	L660 G661 W667 L668 A994	L660-G664 WeakPolarHBondContact O-CA 3.44Å; L660-G664 PolarHBondContact O-N 3.07Å; G661-G664 PolarHBondContact O-N 2.84Å; G664-W667 PolarHBondContact O-N 3.02Å; G664-L668 WeakPolarHBondContact O-CB 3.11Å; G664-L668 PolarHBondContact O-N 3.49Å; G664-A994 VanDerWaalsContact O-CB 3.3Å; G664-A994 WeakPolarHBondContact O-CB 3.39Å
665	F	98.4	Very high	97.1	Very high	25 Å²	25	30.6 Å²	30.6	11%	0.11	15%	0.148	C	C	.	.	H	α-helix	trans	-66.7	-37.1	174.5	-173	-133.2	0	0	0	112.6	L660 G661 K662 R663 L668 K669 I728 A731 L732 A738	L660-F665 HydrophobicContact CD1-CB 4.32Å; L660-F665 HydrophobicContact CD1-CD2 4.07Å; G661-F665 PolarHBondContact O-N 3.1Å; G661-F665 VanDerWaalsContact O-N 3.11Å; K662-F665 PolarHBondContact O-N 3.18Å; R663-F665 VanDerWaalsContact C-N 3.32Å; R663-F665 PolarHBondContact O-N 3.44Å; F665-L668 HydrophobicContact CD2-CD2 4.43Å; F665-L668 PolarHBondContact O-N 3.44Å; F665-K669 WeakPolarHBondContact O-CG 3.28Å; F665-K669 PolarHBondContact O-N 3.46Å; F665-I728 HydrophobicContact CE2-CG2 4.2Å; F665-A731 HydrophobicContact CD2-CB 4.2Å; F665-A731 HydrophobicContact CE2-CB 3.95Å; F665-L732 HydrophobicContact CE1-CD2 4.24Å; F665-L732 HydrophobicContact CZ-CD2 3.67Å; F665-L732 HydrophobicContact CZ-CG 3.99Å; F665-A738 HydrophobicContact CD1-CB 3.88Å; F665-A738 HydrophobicContact CD2-CB 4.23Å; F665-A738 HydrophobicContact CE1-CB 3.73Å; F665-A738 HydrophobicContact CE2-CB 4.11Å; F665-A738 HydrophobicContact CG-CB 4.12Å; F665-A738 HydrophobicContact CZ-CB 3.86Å
666	E	98.2	Very high	97.1	Very high	63 Å²	63	30.8 Å²	30.8	29%	0.294	15%	0.148	S	C	.	.	H	α-helix	trans	-62.9	-45.3	171	-67.9	172.9	178.6	0	0	111.9	K662 R663 L668 K669 I670 L688	K662-E666 PolarHBondContact O-N 2.87Å; K662-E666 VanDerWaalsContact O-N 3.15Å; R663-E666 WeakPolarHBondContact CD-OE2 3.43Å; R663-E666 IonicContact CZ-OE2 2.62Å; R663-E666 IonicContact NE-OE2 2.92Å; R663-E666 IonicContact NH1-OE2 3.1Å; R663-E666 PolarHBondContact NH1-OE2 3.43Å; R663-E666 WeakPolarHBondContact O-CB 3.31Å; R663-E666 PolarHBondContact O-N 2.74Å; E666-L668 VanDerWaalsContact C-N 3.31Å; E666-L668 PolarHBondContact O-N 3.02Å; E666-K669 WeakPolarHBondContact O-CB 3.21Å; E666-K669 PolarHBondContact O-N 2.71Å; E666-I670 WeakPolarHBondContact O-CG1 3.5Å; E666-I670 PolarHBondContact O-N 3Å; E666-L688 HydrophobicContact CB-CD1 4.13Å; E666-L688 HydrophobicContact CB-CD2 4.13Å; E666-L688 HydrophobicContact CG-CD1 4.25Å; E666-L688 HydrophobicContact CG-CD2 3.89Å
667	W	97.9	Very high	96.8	Very high	9 Å²	9	29.3 Å²	29.3	3%	0.034	15%	0.146	C	C	.	.	H	α-helix	trans	-61.3	-38.6	176.5	-85	119.6	0	0	0	112.8	R663 G664 K669 I670 H671 L684 A994 V997 D998	R663-W667 VanDerWaalsContact O-CD1 3.29Å; R663-W667 PolarHBondContact O-N 3.37Å; G664-W667 PolarHBondContact O-N 3.02Å; W667-K669 VanDerWaalsContact C-N 3.33Å; W667-K669 PolarHBondContact O-N 2.82Å; W667-I670 HydrophobicContact CE3-CB 4.32Å; W667-I670 HydrophobicContact CE3-CD1 4.2Å; W667-I670 HydrophobicContact CE3-CG2 4.18Å; W667-I670 HydrophobicContact CZ3-CD1 4.46Å; W667-I670 HydrophobicContact CZ3-CG2 4.14Å; W667-I670 PolarHBondContact O-N 2.67Å; W667-H671 WeakPolarHBondContact O-CB 3.38Å; W667-H671 PolarHBondContact O-N 2.97Å; W667-L684 HydrophobicContact CH2-CD1 3.8Å; W667-L684 HydrophobicContact CH2-CD2 4.41Å; W667-L684 HydrophobicContact CZ2-CD1 4.43Å; W667-L684 HydrophobicContact CZ3-CD1 4.48Å; W667-L684 HydrophobicContact CZ3-CD2 4.34Å; W667-A994 HydrophobicContact CB-CB 4.41Å; W667-V997 HydrophobicContact CB-CG2 4.46Å; W667-V997 HydrophobicContact CD2-CB 3.99Å; W667-V997 HydrophobicContact CD2-CG1 3.65Å; W667-V997 HydrophobicContact CD2-CG2 4.5Å; W667-V997 HydrophobicContact CE3-CG1 3.91Å; W667-V997 HydrophobicContact CG-CB 3.98Å; W667-V997 HydrophobicContact CG-CG1 4.19Å; W667-V997 HydrophobicContact CG-CG2 4.28Å; W667-V997 HydrophobicContact CH2-CG1 4.02Å; W667-V997 HydrophobicContact CZ2-CG1 3.77Å; W667-V997 HydrophobicContact CZ3-CG1 4.08Å; W667-D998 VanDerWaalsContact CZ2-OD1 3.24Å; W667-D998 WeakPolarHBondContact CZ2-OD1 3.45Å; W667-D998 VanDerWaalsContact NE1-CG 3.32Å; W667-D998 PolarHBondContact NE1-OD1 3.5Å; W667-D998 PolarHBondContact NE1-OD2 3.27Å
668	L	98	Very high	96.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.2	-41.9	175.3	-173.7	64.9	0	0	0	111.5	L660 G664 F665 E666 H671 C672 C724 E727 I728 F745 I747	L660-L668 HydrophobicContact CD1-CD2 4.19Å; G664-L668 WeakPolarHBondContact O-CB 3.11Å; G664-L668 PolarHBondContact O-N 3.49Å; F665-L668 HydrophobicContact CD2-CD2 4.43Å; F665-L668 PolarHBondContact O-N 3.44Å; E666-L668 VanDerWaalsContact C-N 3.31Å; E666-L668 PolarHBondContact O-N 3.02Å; L668-H671 PolarHBondContact O-N 3.31Å; L668-C672 PolarHBondContact O-N 2.98Å; L668-C724 PolarHBondContact O-SG 2.95Å; L668-E727 HydrophobicContact CD1-CB 4.38Å; L668-E727 HydrophobicContact CD1-CG 4.19Å; L668-E727 HydrophobicContact CD2-CB 4.26Å; L668-E727 HydrophobicContact CD2-CG 3.87Å; L668-I728 HydrophobicContact CD2-CG1 3.67Å; L668-I728 HydrophobicContact CG-CD1 4.34Å; L668-I728 HydrophobicContact CG-CG1 3.65Å; L668-F745 HydrophobicContact CD1-CB 4.47Å; L668-F745 HydrophobicContact CD1-CD1 3.89Å; L668-F745 HydrophobicContact CD1-CG 4.35Å; L668-I747 HydrophobicContact CD1-CD1 3.74Å
669	K	98.2	Very high	96.4	Very high	23 Å²	23	34.2 Å²	34.2	10%	0.1	17%	0.17	C	C	.	.	H	α-helix	trans	-66.4	-45.9	175	-71.6	176.3	179.3	-177.4	0	112.8	F665 E666 W667 H671 C672 V673 L688 A691 N692 I728	F665-K669 WeakPolarHBondContact O-CG 3.28Å; F665-K669 PolarHBondContact O-N 3.46Å; E666-K669 WeakPolarHBondContact O-CB 3.21Å; E666-K669 PolarHBondContact O-N 2.71Å; W667-K669 VanDerWaalsContact C-N 3.33Å; W667-K669 PolarHBondContact O-N 2.82Å; K669-H671 VanDerWaalsContact C-N 3.26Å; K669-H671 PolarHBondContact O-N 3.08Å; K669-C672 WeakPolarHBondContact O-CB 3.36Å; K669-C672 PolarHBondContact O-N 3.18Å; K669-V673 PolarHBondContact O-N 2.92Å; K669-L688 HydrophobicContact CB-CD1 3.94Å; K669-L688 HydrophobicContact CD-CD1 3.93Å; K669-A691 HydrophobicContact CB-CB 3.79Å; K669-N692 WeakPolarHBondContact CD-OD1 3.27Å; K669-N692 PolarHBondContact NZ-OD1 2.87Å; K669-I728 HydrophobicContact CG-CD1 4.36Å
670	I	97.5	Very high	95.9	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.015	17%	0.165	C	C	.	.	H	α-helix	trans	-58.8	-43.8	176.3	-70	165.3	0	0	0	109.9	E666 W667 V673 N674 L684 L688	E666-I670 WeakPolarHBondContact O-CG1 3.5Å; E666-I670 PolarHBondContact O-N 3Å; W667-I670 HydrophobicContact CE3-CB 4.32Å; W667-I670 HydrophobicContact CE3-CD1 4.2Å; W667-I670 HydrophobicContact CE3-CG2 4.18Å; W667-I670 HydrophobicContact CZ3-CD1 4.46Å; W667-I670 HydrophobicContact CZ3-CG2 4.14Å; W667-I670 PolarHBondContact O-N 2.67Å; I670-V673 PolarHBondContact O-N 3.28Å; I670-N674 PolarHBondContact O-N 3.37Å; I670-N674 PolarHBondContact O-OD1 3.19Å; I670-L684 HydrophobicContact CD1-CB 4.43Å; I670-L684 HydrophobicContact CG2-CD2 4.1Å; I670-L688 HydrophobicContact CD1-CB 4.31Å; I670-L688 HydrophobicContact CG1-CB 3.97Å; I670-L688 HydrophobicContact CG1-CD1 4.44Å
671	H	97.5	Very high	95.5	Very high	2 Å²	2	41 Å²	41	1%	0.009	19%	0.19	C	C	.	.	H	α-helix	trans	-61.5	-44.7	178.4	-177	68.6	0	0	0	112.2	W667 L668 K669 V673 N674 L675 F745 I747 H748	W667-H671 WeakPolarHBondContact O-CB 3.38Å; W667-H671 PolarHBondContact O-N 2.97Å; L668-H671 PolarHBondContact O-N 3.31Å; K669-H671 VanDerWaalsContact C-N 3.26Å; K669-H671 PolarHBondContact O-N 3.08Å; H671-V673 VanDerWaalsContact C-N 3.28Å; H671-V673 PolarHBondContact O-N 2.95Å; H671-N674 WeakPolarHBondContact O-CB 3.32Å; H671-N674 PolarHBondContact O-N 3.04Å; H671-N674 VanDerWaalsContact O-N 3.08Å; H671-L675 WeakPolarHBondContact O-CG 3.37Å; H671-L675 PolarHBondContact O-N 3.14Å; H671-F745 AromaticContact CD2-CE1 3.61Å; H671-F745 AromaticContact NE2-CE1 3.68Å; H671-I747 HydrophobicContact CB-CD1 3.7Å; H671-I747 HydrophobicContact CB-CG2 4.06Å; H671-H748 AromaticContact CE1-CD2 3.39Å; H671-H748 PolarHBondContact CE1-CD2 3.35Å; H671-H748 AromaticContact CE1-CE1 3.97Å; H671-H748 AromaticContact CE1-CG 3.9Å; H671-H748 AromaticContact CE1-NE2 3.44Å; H671-H748 PolarHBondContact CE1-NE2 3.49Å
672	C	97.9	Very high	95.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-53.7	-45.1	173.4	-173	0	0	0	0	111.9	L668 K669 L675 T676 C724 I728	L668-C672 PolarHBondContact O-N 2.98Å; K669-C672 WeakPolarHBondContact O-CB 3.36Å; K669-C672 PolarHBondContact O-N 3.18Å; C672-L675 PolarHBondContact O-N 3.46Å; C672-T676 WeakPolarHBondContact O-CG2 3.33Å; C672-C724 HydrophobicContact CB-CB 4.45Å; C672-I728 HydrophobicContact CB-CD1 3.77Å
673	V	97.5	Very high	95.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-66.2	-41.7	176.3	174.3	0	0	0	0	111.7	K669 I670 H671 L675 T676 K679 R687 Y690 A691	K669-V673 PolarHBondContact O-N 2.92Å; I670-V673 PolarHBondContact O-N 3.28Å; H671-V673 VanDerWaalsContact C-N 3.28Å; H671-V673 PolarHBondContact O-N 2.95Å; V673-L675 VanDerWaalsContact C-N 3.29Å; V673-L675 PolarHBondContact O-N 3.04Å; V673-T676 WeakPolarHBondContact O-CB 3.3Å; V673-T676 PolarHBondContact O-N 2.94Å; V673-T676 VanDerWaalsContact O-N 3.15Å; V673-T676 PolarHBondContact O-OG1 3.13Å; V673-K679 HydrophobicContact CG1-CB 4.14Å; V673-K679 HydrophobicContact CG1-CG 4.36Å; V673-R687 HydrophobicContact CG1-CB 4.29Å; V673-R687 HydrophobicContact CG1-CG 4.45Å; V673-Y690 HydrophobicContact CG1-CD1 3.86Å; V673-Y690 HydrophobicContact CG1-CE1 4.43Å; V673-Y690 HydrophobicContact CG2-CD1 3.85Å; V673-Y690 HydrophobicContact CG2-CE1 4.49Å; V673-A691 HydrophobicContact CG2-CB 3.56Å
674	N	95.2	Very high	95.2	Very high	27 Å²	27	33.2 Å²	33.2	14%	0.144	16%	0.158	C	C	.	.	H	α-helix	trans	-57.5	-42	178.2	-74.7	-4.1	0	0	0	112.1	I670 H671 T676 G677 R687 N1071	I670-N674 PolarHBondContact O-N 3.37Å; I670-N674 PolarHBondContact O-OD1 3.19Å; H671-N674 WeakPolarHBondContact O-CB 3.32Å; H671-N674 PolarHBondContact O-N 3.04Å; H671-N674 VanDerWaalsContact O-N 3.08Å; N674-T676 VanDerWaalsContact C-N 3.28Å; N674-T676 PolarHBondContact O-N 3.4Å; N674-G677 PolarHBondContact O-N 2.83Å; N674-G677 VanDerWaalsContact O-N 3.12Å; N674-R687 WeakPolarHBondContact OD1-CD 3.44Å; N674-R687 PolarHBondContact OD1-NH1 2.64Å; N674-N1071 PolarHBondContact ND2-OXT 3.34Å
675	L	96.2	Very high	95.2	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.026	19%	0.186	C	C	.	.	H	α-helix	trans	-61.4	-33.8	178.7	-67.5	170.1	0	0	0	112.8	H671 C672 V673 G677 S715 E717 Q720 T721 C724	H671-L675 WeakPolarHBondContact O-CG 3.37Å; H671-L675 PolarHBondContact O-N 3.14Å; C672-L675 PolarHBondContact O-N 3.46Å; V673-L675 VanDerWaalsContact C-N 3.29Å; V673-L675 PolarHBondContact O-N 3.04Å; L675-G677 PolarHBondContact O-N 3.47Å; L675-S715 PolarHBondContact O-OG 3.43Å; L675-E717 HydrophobicContact CB-CB 4.45Å; L675-E717 HydrophobicContact CD2-CB 4.09Å; L675-E717 HydrophobicContact CD2-CG 4.43Å; L675-E717 PolarHBondContact O-N 3.05Å; L675-Q720 HydrophobicContact CD1-CB 3.89Å; L675-Q720 HydrophobicContact CD2-CB 3.81Å; L675-Q720 HydrophobicContact CG-CB 4.46Å; L675-T721 WeakPolarHBondContact CB-OG1 3.43Å; L675-C724 HydrophobicContact CD1-CB 4.11Å
676	T	95.6	Very high	95.1	Very high	11 Å²	11	37.7 Å²	37.7	7%	0.067	19%	0.194	C	C	.	.	H	α-helix	trans	-66.7	-20	177.7	71.3	0	0	0	0	113.6	C672 V673 N674 L678 W711 S715 T721	C672-T676 WeakPolarHBondContact O-CG2 3.33Å; V673-T676 WeakPolarHBondContact O-CB 3.3Å; V673-T676 PolarHBondContact O-N 2.94Å; V673-T676 VanDerWaalsContact O-N 3.15Å; V673-T676 PolarHBondContact O-OG1 3.13Å; N674-T676 VanDerWaalsContact C-N 3.28Å; N674-T676 PolarHBondContact O-N 3.4Å; T676-L678 PolarHBondContact O-N 3.23Å; T676-L678 WeakPolarHBondContact OG1-CB 3.32Å; T676-L678 WeakPolarHBondContact OG1-CG 3.38Å; T676-L678 PolarHBondContact OG1-N 2.89Å; T676-L678 VanDerWaalsContact OG1-N 3.15Å; T676-W711 HydrophobicContact CG2-CH2 3.34Å; T676-W711 HydrophobicContact CG2-CZ2 3.38Å; T676-W711 HydrophobicContact CG2-CZ3 4.41Å; T676-S715 VanDerWaalsContact CA-OG 3.26Å; T676-S715 WeakPolarHBondContact CA-OG 3.45Å; T676-S715 PolarHBondContact N-OG 2.99Å; T676-T721 HydrophobicContact CG2-CG2 4.37Å
677	G	90.7	Very high	95.1	Very high	16 Å²	16	34.8 Å²	34.8	17%	0.165	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	73	4.3	-171.9	0	0	0	0	0	116	N674 L675 K680	N674-G677 PolarHBondContact O-N 2.83Å; N674-G677 VanDerWaalsContact O-N 3.12Å; L675-G677 PolarHBondContact O-N 3.47Å; G677-K680 WeakPolarHBondContact O-CE 3.25Å; G677-K680 WeakPolarHBondContact O-CG 2.86Å
678	L	91.4	Very high	95.1	Very high	78 Å²	78	35.8 Å²	35.8	41%	0.408	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	161	172.7	-57.1	175.9	0	0	0	110.8	T676 K680 Y690	T676-L678 PolarHBondContact O-N 3.23Å; T676-L678 WeakPolarHBondContact OG1-CB 3.32Å; T676-L678 WeakPolarHBondContact OG1-CG 3.38Å; T676-L678 PolarHBondContact OG1-N 2.89Å; T676-L678 VanDerWaalsContact OG1-N 3.15Å; L678-K680 PolarHBondContact O-N 3.5Å; L678-Y690 HydrophobicContact CB-CE1 4.44Å; L678-Y690 HydrophobicContact CD1-CE1 4.01Å; L678-Y690 WeakPolarHBondContact CD1-OH 3.41Å
679	K	91.5	Very high	95.1	Very high	87 Å²	87	40.8 Å²	40.8	38%	0.378	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	19.1	172.5	-55.1	-72	177.8	175	0	115.2	V673 R681 E682 R687 Y690	V673-K679 HydrophobicContact CG1-CB 4.14Å; V673-K679 HydrophobicContact CG1-CG 4.36Å; K679-R681 PolarHBondContact O-N 3.38Å; K679-E682 HydrophobicContact CB-CB 4.22Å; K679-E682 HydrophobicContact CB-CG 4.04Å; K679-E682 HydrophobicContact CD-CG 3.79Å; K679-E682 WeakPolarHBondContact O-CB 3.31Å; K679-E682 PolarHBondContact O-N 3.02Å; K679-R687 HydrophobicContact CB-CG 3.97Å; K679-R687 PolarHBondContact O-NE 3.14Å; K679-Y690 HydrophobicContact CG-CD1 3.92Å; K679-Y690 HydrophobicContact CG-CE1 4.47Å; K679-Y690 HydrophobicContact CG-CG 4.06Å
680	K	85.9	Confident	95.1	Very high	67 Å²	67	42 Å²	42	29%	0.291	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-26.4	-178.9	-72.1	-171	-170.8	-173.5	0	114.7	G677 L678 R687 E716 P780	G677-K680 WeakPolarHBondContact O-CE 3.25Å; G677-K680 WeakPolarHBondContact O-CG 2.86Å; L678-K680 PolarHBondContact O-N 3.5Å; K680-R687 PolarHBondContact O-NH2 2.65Å; K680-E716 IonicContact NZ-OE1 3.55Å; K680-E716 PolarHBondContact NZ-OE1 3.25Å; K680-E716 IonicContact NZ-OE2 2.77Å; K680-E716 PolarHBondContact NZ-OE2 2.98Å; K680-P780 WeakPolarHBondContact O-CG 3.49Å
681	R	89.1	Confident	95.1	Very high	144 Å²	144	41.9 Å²	41.9	54%	0.543	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-1.6	-179.9	-61.2	-171.5	-170.2	153.7	5.7	113.9	K679 D782 S785	K679-R681 PolarHBondContact O-N 3.38Å; R681-D782 IonicContact CZ-OD2 3.15Å; R681-D782 IonicContact NE-OD2 2.92Å; R681-D782 PolarHBondContact NE-OD2 3.36Å; R681-D782 VanDerWaalsContact NE-OD2 3.17Å; R681-D782 IonicContact NH2-OD2 3.86Å; R681-S785 PolarHBondContact NH2-OG 2.87Å
682	E	94.5	Very high	95.1	Very high	84 Å²	84	44.6 Å²	44.6	39%	0.393	23%	0.227	S	C	.	.	S	Bend	trans	-94.1	162.5	-177.1	-57	-71	176.4	0	0	110.7	K679 A686 R687 P780	K679-E682 HydrophobicContact CB-CB 4.22Å; K679-E682 HydrophobicContact CB-CG 4.04Å; K679-E682 HydrophobicContact CD-CG 3.79Å; K679-E682 WeakPolarHBondContact O-CB 3.31Å; K679-E682 PolarHBondContact O-N 3.02Å; E682-A686 HydrophobicContact CB-CB 3.88Å; E682-R687 PolarHBondContact O-NE 2.72Å; E682-P780 WeakPolarHBondContact O-CD 3.27Å
683	S	96	Very high	95.1	Very high	24 Å²	24	49 Å²	49	17%	0.168	25%	0.251	C	S	.	.			trans	-65.6	165.1	176.4	69.4	0	0	0	0	112.5	S685 A686 R687 Y1068	S683-S685 VanDerWaalsContact C-N 3.26Å; S683-S685 PolarHBondContact O-N 3.07Å; S683-S685 PolarHBondContact OG-OG 3.44Å; S683-A686 PolarHBondContact O-N 3.36Å; S683-A686 WeakPolarHBondContact OG-CB 3.35Å; S683-A686 PolarHBondContact OG-N 2.83Å; S683-R687 WeakPolarHBondContact O-CG 3.29Å; S683-R687 PolarHBondContact O-N 2.89Å; S683-Y1068 WeakPolarHBondContact CA-OH 3.38Å
684	L	95	Very high	95.1	Very high	29 Å²	29	49.7 Å²	49.7	15%	0.152	26%	0.255	C	S	.	.	H	α-helix	trans	-63.7	-35.6	177	-67.2	178.9	0	0	0	111.4	W667 I670 R687 L688 T1067 Y1068	W667-L684 HydrophobicContact CH2-CD1 3.8Å; W667-L684 HydrophobicContact CH2-CD2 4.41Å; W667-L684 HydrophobicContact CZ2-CD1 4.43Å; W667-L684 HydrophobicContact CZ3-CD1 4.48Å; W667-L684 HydrophobicContact CZ3-CD2 4.34Å; I670-L684 HydrophobicContact CD1-CB 4.43Å; I670-L684 HydrophobicContact CG2-CD2 4.1Å; L684-R687 PolarHBondContact O-N 3.48Å; L684-L688 WeakPolarHBondContact O-CB 3.24Å; L684-L688 PolarHBondContact O-N 3.29Å; L684-T1067 HydrophobicContact CD1-CG2 3.78Å; L684-Y1068 HydrophobicContact CD2-CE1 4.11Å; L684-Y1068 HydrophobicContact CG-CE1 3.86Å; L684-Y1068 PolarHBondContact N-OH 3.16Å
685	S	96.4	Very high	95.3	Very high	86 Å²	86	50.6 Å²	50.6	60%	0.601	26%	0.259	S	S	*	.	H	α-helix	trans	-64.9	-42.2	176	52.8	0	0	0	0	112.1	S683 L688 Q689	S683-S685 VanDerWaalsContact C-N 3.26Å; S683-S685 PolarHBondContact O-N 3.07Å; S683-S685 PolarHBondContact OG-OG 3.44Å; S685-L688 PolarHBondContact O-N 3.41Å; S685-Q689 WeakPolarHBondContact O-CB 3.15Å; S685-Q689 PolarHBondContact O-N 3.38Å
686	A	97.4	Very high	95.4	Very high	33 Å²	33	55.7 Å²	55.7	27%	0.273	28%	0.282	S	S	.	.	H	α-helix	trans	-67.3	-36.8	176.1	0	0	0	0	0	112.4	E682 S683 Y690	E682-A686 HydrophobicContact CB-CB 3.88Å; S683-A686 PolarHBondContact O-N 3.36Å; S683-A686 WeakPolarHBondContact OG-CB 3.35Å; S683-A686 PolarHBondContact OG-N 2.83Å; A686-Y690 WeakPolarHBondContact O-CB 3.31Å; A686-Y690 PolarHBondContact O-N 3Å
687	R	97.2	Very high	95.5	Very high	3 Å²	3	56.9 Å²	56.9	1%	0.011	29%	0.287	C	S	.	.	H	α-helix	trans	-63.9	-44.5	172.6	-66.9	179.6	-164.4	-176.7	6	111.4	V673 N674 K679 K680 E682 S683 L684 Y690 A691 N1071	V673-R687 HydrophobicContact CG1-CB 4.29Å; V673-R687 HydrophobicContact CG1-CG 4.45Å; N674-R687 WeakPolarHBondContact OD1-CD 3.44Å; N674-R687 PolarHBondContact OD1-NH1 2.64Å; K679-R687 HydrophobicContact CB-CG 3.97Å; K679-R687 PolarHBondContact O-NE 3.14Å; K680-R687 PolarHBondContact O-NH2 2.65Å; E682-R687 PolarHBondContact O-NE 2.72Å; S683-R687 WeakPolarHBondContact O-CG 3.29Å; S683-R687 PolarHBondContact O-N 2.89Å; L684-R687 PolarHBondContact O-N 3.48Å; R687-Y690 PolarHBondContact O-N 2.87Å; R687-A691 PolarHBondContact O-N 3.05Å; R687-N1071 PolarHBondContact NH1-OD1 3.2Å; R687-N1071 PolarHBondContact NH2-OD1 2.84Å
688	L	97.7	Very high	95.8	Very high	29 Å²	29	56.1 Å²	56.1	15%	0.152	28%	0.28	C	S	.	.	H	α-helix	trans	-63.1	-44.7	176.8	177.7	60.2	0	0	0	112	E666 K669 I670 L684 S685 Y690 A691 N692	E666-L688 HydrophobicContact CB-CD1 4.13Å; E666-L688 HydrophobicContact CB-CD2 4.13Å; E666-L688 HydrophobicContact CG-CD1 4.25Å; E666-L688 HydrophobicContact CG-CD2 3.89Å; K669-L688 HydrophobicContact CB-CD1 3.94Å; K669-L688 HydrophobicContact CD-CD1 3.93Å; I670-L688 HydrophobicContact CD1-CB 4.31Å; I670-L688 HydrophobicContact CG1-CB 3.97Å; I670-L688 HydrophobicContact CG1-CD1 4.44Å; L684-L688 WeakPolarHBondContact O-CB 3.24Å; L684-L688 PolarHBondContact O-N 3.29Å; S685-L688 PolarHBondContact O-N 3.41Å; L688-Y690 VanDerWaalsContact C-N 3.34Å; L688-Y690 PolarHBondContact O-N 3.25Å; L688-A691 WeakPolarHBondContact O-CB 3.27Å; L688-A691 PolarHBondContact O-N 3.27Å; L688-N692 PolarHBondContact O-N 3.28Å; L688-N692 VanDerWaalsContact O-N 3.07Å; L688-N692 PolarHBondContact O-ND2 3.11Å
689	Q	98.2	Very high	96.2	Very high	105 Å²	105	54.8 Å²	54.8	49%	0.491	28%	0.275	S	S	.	.	H	α-helix	trans	-59.3	-47.6	176.7	-176.5	58.5	41.3	0	0	110.7	S685 A691 N692 D693	S685-Q689 WeakPolarHBondContact O-CB 3.15Å; S685-Q689 PolarHBondContact O-N 3.38Å; Q689-A691 VanDerWaalsContact C-N 3.29Å; Q689-A691 PolarHBondContact O-N 3.46Å; Q689-N692 WeakPolarHBondContact O-CB 3.32Å; Q689-N692 PolarHBondContact O-N 3.17Å; Q689-D693 PolarHBondContact NE2-OD1 2.85Å; Q689-D693 PolarHBondContact O-N 3.33Å
690	Y	98.2	Very high	96.5	Very high	49 Å²	49	51.1 Å²	51.1	19%	0.192	26%	0.259	C	S	.	.	H	α-helix	trans	-57.5	-42.9	176.6	180	-112.1	0	0	0	112.1	V673 L678 K679 A686 R687 L688 N692 D693 I694	V673-Y690 HydrophobicContact CG1-CD1 3.86Å; V673-Y690 HydrophobicContact CG1-CE1 4.43Å; V673-Y690 HydrophobicContact CG2-CD1 3.85Å; V673-Y690 HydrophobicContact CG2-CE1 4.49Å; L678-Y690 HydrophobicContact CB-CE1 4.44Å; L678-Y690 HydrophobicContact CD1-CE1 4.01Å; L678-Y690 WeakPolarHBondContact CD1-OH 3.41Å; K679-Y690 HydrophobicContact CG-CD1 3.92Å; K679-Y690 HydrophobicContact CG-CE1 4.47Å; K679-Y690 HydrophobicContact CG-CG 4.06Å; A686-Y690 WeakPolarHBondContact O-CB 3.31Å; A686-Y690 PolarHBondContact O-N 3Å; R687-Y690 PolarHBondContact O-N 2.87Å; L688-Y690 VanDerWaalsContact C-N 3.34Å; L688-Y690 PolarHBondContact O-N 3.25Å; Y690-N692 VanDerWaalsContact C-N 3.27Å; Y690-N692 PolarHBondContact O-N 2.94Å; Y690-D693 PolarHBondContact O-N 2.93Å; Y690-D693 VanDerWaalsContact O-N 3.15Å; Y690-I694 HydrophobicContact CD1-CD1 4.43Å; Y690-I694 HydrophobicContact CD2-CG2 4.25Å; Y690-I694 HydrophobicContact CE1-CD1 3.87Å; Y690-I694 HydrophobicContact CE1-CG1 4.49Å; Y690-I694 HydrophobicContact CE1-CG2 4.41Å; Y690-I694 HydrophobicContact CE2-CG2 3.68Å; Y690-I694 WeakPolarHBondContact O-CG1 3.49Å; Y690-I694 PolarHBondContact O-N 3.43Å
691	A	97.8	Very high	97.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-58.9	-38.4	175.8	0	0	0	0	0	112.7	K669 V673 R687 L688 Q689 L695	K669-A691 HydrophobicContact CB-CB 3.79Å; V673-A691 HydrophobicContact CG2-CB 3.56Å; R687-A691 PolarHBondContact O-N 3.05Å; L688-A691 WeakPolarHBondContact O-CB 3.27Å; L688-A691 PolarHBondContact O-N 3.27Å; Q689-A691 VanDerWaalsContact C-N 3.29Å; Q689-A691 PolarHBondContact O-N 3.46Å; A691-L695 PolarHBondContact O-N 3.36Å
692	N	98.3	Very high	97.5	Very high	60 Å²	60	41.7 Å²	41.7	32%	0.321	23%	0.225	S	C	.	.	H	α-helix	trans	-69	-40.1	175.5	-66.5	-37.6	0	0	0	111.5	K669 L688 Q689 Y690 I694 L695	K669-N692 WeakPolarHBondContact CD-OD1 3.27Å; K669-N692 PolarHBondContact NZ-OD1 2.87Å; L688-N692 PolarHBondContact O-N 3.28Å; L688-N692 VanDerWaalsContact O-N 3.07Å; L688-N692 PolarHBondContact O-ND2 3.11Å; Q689-N692 WeakPolarHBondContact O-CB 3.32Å; Q689-N692 PolarHBondContact O-N 3.17Å; Y690-N692 VanDerWaalsContact C-N 3.27Å; Y690-N692 PolarHBondContact O-N 2.94Å; N692-I694 VanDerWaalsContact C-N 3.3Å; N692-I694 PolarHBondContact O-N 3.12Å; N692-L695 WeakPolarHBondContact O-CB 3.16Å; N692-L695 PolarHBondContact O-N 3.37Å
693	D	98.3	Very high	97.6	Very high	91 Å²	91	41.9 Å²	41.9	49%	0.487	23%	0.232	S	C	.	.	H	α-helix	trans	-63.2	-37.1	179	-58.7	-24.3	0	0	0	111.7	Q689 Y690 H696	Q689-D693 PolarHBondContact NE2-OD1 2.85Å; Q689-D693 PolarHBondContact O-N 3.33Å; Y690-D693 PolarHBondContact O-N 2.93Å; Y690-D693 VanDerWaalsContact O-N 3.15Å; D693-H696 PolarHBondContact O-CE1 3.48Å; D693-H696 VanDerWaalsContact O-CE1 3.24Å; D693-H696 PolarHBondContact O-ND1 2.65Å
694	I	97.5	Very high	97.7	Very high	16 Å²	16	46.8 Å²	46.8	8%	0.082	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	14.6	179.9	70.9	161.8	0	0	0	114	Y690 N692 H696 E697 I698 W711	Y690-I694 HydrophobicContact CD1-CD1 4.43Å; Y690-I694 HydrophobicContact CD2-CG2 4.25Å; Y690-I694 HydrophobicContact CE1-CD1 3.87Å; Y690-I694 HydrophobicContact CE1-CG1 4.49Å; Y690-I694 HydrophobicContact CE1-CG2 4.41Å; Y690-I694 HydrophobicContact CE2-CG2 3.68Å; Y690-I694 WeakPolarHBondContact O-CG1 3.49Å; Y690-I694 PolarHBondContact O-N 3.43Å; N692-I694 VanDerWaalsContact C-N 3.3Å; N692-I694 PolarHBondContact O-N 3.12Å; I694-H696 PolarHBondContact O-N 2.95Å; I694-E697 HydrophobicContact CB-CB 4.43Å; I694-E697 HydrophobicContact CB-CG 4.49Å; I694-E697 WeakPolarHBondContact O-CA 3.41Å; I694-E697 WeakPolarHBondContact O-CB 3.22Å; I694-E697 PolarHBondContact O-N 2.96Å; I694-I698 HydrophobicContact CD1-CD1 4.45Å; I694-I698 HydrophobicContact CD1-CG1 4.41Å; I694-I698 HydrophobicContact CG1-CD1 4.21Å; I694-I698 HydrophobicContact CG1-CG1 4.37Å; I694-I698 PolarHBondContact O-N 3.47Å; I694-W711 HydrophobicContact CD1-CH2 3.65Å; I694-W711 HydrophobicContact CD1-CZ2 3.28Å
695	L	98	Very high	97.8	Very high	45 Å²	45	46.3 Å²	46.3	24%	0.236	25%	0.245	C	C	.	.	H	α-helix	trans	-56.4	-31.6	-174.2	-166.5	63.7	0	0	0	112.9	A691 N692 E697 I698 V699 I728 L732	A691-L695 PolarHBondContact O-N 3.36Å; N692-L695 WeakPolarHBondContact O-CB 3.16Å; N692-L695 PolarHBondContact O-N 3.37Å; L695-E697 VanDerWaalsContact C-N 3.33Å; L695-E697 PolarHBondContact O-N 3.22Å; L695-I698 HydrophobicContact CD1-CD1 4.36Å; L695-I698 WeakPolarHBondContact O-CB 3.34Å; L695-I698 PolarHBondContact O-N 3.38Å; L695-V699 WeakPolarHBondContact O-CG2 3.38Å; L695-V699 PolarHBondContact O-N 2.88Å; L695-I728 HydrophobicContact CD1-CG2 4.09Å; L695-L732 HydrophobicContact CD1-CD1 4.06Å; L695-L732 HydrophobicContact CD2-CD1 4.15Å; L695-L732 HydrophobicContact CG-CD1 4.25Å
696	H	97.8	Very high	97.7	Very high	112 Å²	112	45.2 Å²	45.2	52%	0.519	23%	0.232	S	C	.	.	H	α-helix	trans	-64.3	-31.9	174.4	61.6	-83.1	0	0	0	113.5	D693 I694 D700 R709	D693-H696 PolarHBondContact O-CE1 3.48Å; D693-H696 VanDerWaalsContact O-CE1 3.24Å; D693-H696 PolarHBondContact O-ND1 2.65Å; I694-H696 PolarHBondContact O-N 2.95Å; H696-D700 VanDerWaalsContact O-CB 3.27Å; H696-D700 WeakPolarHBondContact O-CB 3.25Å; H696-D700 PolarHBondContact O-N 3.48Å; H696-D700 VanDerWaalsContact O-N 3.11Å; H696-R709 VanDerWaalsContact C-NH2 3.34Å; H696-R709 PolarHBondContact O-NH2 2.89Å
697	E	98.2	Very high	97.6	Very high	37 Å²	37	50.7 Å²	50.7	17%	0.173	26%	0.257	C	S	.	.	H	α-helix	trans	-73.1	-37.3	173.1	-65.3	-62.9	174.1	0	0	112.3	I694 L695 S701 R709 W711	I694-E697 HydrophobicContact CB-CB 4.43Å; I694-E697 HydrophobicContact CB-CG 4.49Å; I694-E697 WeakPolarHBondContact O-CA 3.41Å; I694-E697 WeakPolarHBondContact O-CB 3.22Å; I694-E697 PolarHBondContact O-N 2.96Å; L695-E697 VanDerWaalsContact C-N 3.33Å; L695-E697 PolarHBondContact O-N 3.22Å; E697-S701 VanDerWaalsContact O-CB 3.31Å; E697-S701 WeakPolarHBondContact O-CB 3.44Å; E697-S701 PolarHBondContact O-N 3.32Å; E697-S701 PolarHBondContact O-OG 2.66Å; E697-R709 VanDerWaalsContact CD-NH2 3.35Å; E697-R709 IonicContact OE1-CZ 3.63Å; E697-R709 IonicContact OE1-NE 2.71Å; E697-R709 PolarHBondContact OE1-NE 3.42Å; E697-R709 IonicContact OE1-NH2 3.36Å; E697-R709 IonicContact OE2-CZ 3.03Å; E697-R709 VanDerWaalsContact OE2-CZ 3.3Å; E697-R709 IonicContact OE2-NE 3.98Å; E697-R709 PolarHBondContact OE2-NE 3.5Å; E697-R709 IonicContact OE2-NH2 3.42Å; E697-R709 PolarHBondContact OE2-NH2 3Å; E697-W711 HydrophobicContact CB-CB 4.02Å; E697-W711 HydrophobicContact CB-CD2 4.02Å; E697-W711 HydrophobicContact CB-CE3 4.36Å; E697-W711 HydrophobicContact CB-CG 3.86Å; E697-W711 HydrophobicContact CG-CB 4.4Å; E697-W711 HydrophobicContact CG-CG 4.26Å
698	I	98.2	Very high	97.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64	-50.5	176.6	-63.2	176.6	0	0	0	109.8	I694 L695 S701 A702 W711 C725 I728	I694-I698 HydrophobicContact CD1-CD1 4.45Å; I694-I698 HydrophobicContact CD1-CG1 4.41Å; I694-I698 HydrophobicContact CG1-CD1 4.21Å; I694-I698 HydrophobicContact CG1-CG1 4.37Å; I694-I698 PolarHBondContact O-N 3.47Å; L695-I698 HydrophobicContact CD1-CD1 4.36Å; L695-I698 WeakPolarHBondContact O-CB 3.34Å; L695-I698 PolarHBondContact O-N 3.38Å; I698-S701 PolarHBondContact O-N 3.26Å; I698-A702 PolarHBondContact O-N 3.43Å; I698-W711 HydrophobicContact CG1-CZ3 4.19Å; I698-C725 HydrophobicContact CG2-CB 3.97Å; I698-I728 HydrophobicContact CD1-CD1 4.36Å; I698-I728 HydrophobicContact CG2-CB 3.98Å; I698-I728 HydrophobicContact CG2-CD1 3.97Å; I698-I728 HydrophobicContact CG2-CG2 3.9Å
699	V	98.2	Very high	97.5	Very high	50 Å²	50	55.5 Å²	55.5	30%	0.303	28%	0.279	S	S	.	.	H	α-helix	trans	-65.9	-39.6	179.7	174.4	0	0	0	0	111.8	L695 A702 T703 L732	L695-V699 WeakPolarHBondContact O-CG2 3.38Å; L695-V699 PolarHBondContact O-N 2.88Å; V699-A702 PolarHBondContact O-N 2.73Å; V699-T703 HydrophobicContact CG1-CG2 4.3Å; V699-T703 WeakPolarHBondContact O-CB 3.49Å; V699-T703 WeakPolarHBondContact O-CG2 3.36Å; V699-T703 PolarHBondContact O-N 3.18Å; V699-T703 PolarHBondContact O-OG1 3.14Å; V699-L732 HydrophobicContact CG2-CD1 3.95Å
700	D	98.4	Very high	97.3	Very high	9 Å²	9	54.3 Å²	54.3	5%	0.048	27%	0.27	C	S	.	.	H	α-helix	trans	-62.8	-43.7	174.8	-178.3	76.1	0	0	0	111.8	H696 A702 T703 R704 R709	H696-D700 VanDerWaalsContact O-CB 3.27Å; H696-D700 WeakPolarHBondContact O-CB 3.25Å; H696-D700 PolarHBondContact O-N 3.48Å; H696-D700 VanDerWaalsContact O-N 3.11Å; D700-A702 VanDerWaalsContact C-N 3.29Å; D700-A702 PolarHBondContact O-N 3.21Å; D700-T703 PolarHBondContact O-N 3.27Å; D700-R704 CarbonylContact O-C 3.37Å; D700-R704 WeakPolarHBondContact O-CA 3.49Å; D700-R704 PolarHBondContact O-N 2.74Å; D700-R704 IonicContact OD1-CZ 2.81Å; D700-R704 VanDerWaalsContact OD1-CZ 3.27Å; D700-R704 IonicContact OD1-NE 2.96Å; D700-R704 PolarHBondContact OD1-NE 2.86Å; D700-R704 IonicContact OD1-NH2 2.89Å; D700-R704 PolarHBondContact OD1-NH2 3.27Å; D700-R709 VanDerWaalsContact CB-NH2 3.26Å; D700-R709 IonicContact OD1-NH1 3.88Å; D700-R709 WeakPolarHBondContact OD2-CB 3.42Å; D700-R709 IonicContact OD2-CZ 2.77Å; D700-R709 PolarHBondContact OD2-N 3.16Å
701	S	98.3	Very high	97.3	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.8	-37	176.5	-62.3	0	0	0	0	112.2	E697 I698 P705 L722	E697-S701 VanDerWaalsContact O-CB 3.31Å; E697-S701 WeakPolarHBondContact O-CB 3.44Å; E697-S701 PolarHBondContact O-N 3.32Å; E697-S701 PolarHBondContact O-OG 2.66Å; I698-S701 PolarHBondContact O-N 3.26Å; S701-P705 VanDerWaalsContact O-CA 3.24Å; S701-P705 WeakPolarHBondContact O-CA 3.41Å; S701-P705 WeakPolarHBondContact O-CB 3.4Å; S701-L722 VanDerWaalsContact O-CD1 3.24Å; S701-L722 WeakPolarHBondContact O-CD1 3.16Å
702	A	98	Very high	97.2	Very high	14 Å²	14	53.4 Å²	53.4	12%	0.116	27%	0.266	C	S	.	.	H	α-helix	trans	-70.6	-44	177.7	0	0	0	0	0	113.4	I698 V699 D700 C725 M726 A729	I698-A702 PolarHBondContact O-N 3.43Å; V699-A702 PolarHBondContact O-N 2.73Å; D700-A702 VanDerWaalsContact C-N 3.29Å; D700-A702 PolarHBondContact O-N 3.21Å; A702-C725 HydrophobicContact CB-CB 4.3Å; A702-C725 WeakPolarHBondContact CB-O 3.38Å; A702-M726 HydrophobicContact CB-CG 4.23Å; A702-A729 HydrophobicContact CB-CB 3.48Å; A702-A729 VanDerWaalsContact CB-CB 3.48Å
703	T	97.2	Very high	97.2	Very high	88 Å²	88	52.3 Å²	52.3	54%	0.54	26%	0.261	S	S	.	.	H	α-helix	trans	-88.5	-30.9	-172.1	54.5	0	0	0	0	113.2	V699 D700 P705	V699-T703 HydrophobicContact CG1-CG2 4.3Å; V699-T703 WeakPolarHBondContact O-CB 3.49Å; V699-T703 WeakPolarHBondContact O-CG2 3.36Å; V699-T703 PolarHBondContact O-N 3.18Å; V699-T703 PolarHBondContact O-OG1 3.14Å; D700-T703 PolarHBondContact O-N 3.27Å; T703-P705 VanDerWaalsContact C-CD 3.49Å
704	R	97.3	Very high	97	Very high	127 Å²	127	56.1 Å²	56.1	48%	0.479	27%	0.274	S	S	.	.			trans	-133	63	-179.5	-56.9	-170.8	-58	175.9	3.1	110.6	D700 L706 G708	D700-R704 CarbonylContact O-C 3.37Å; D700-R704 WeakPolarHBondContact O-CA 3.49Å; D700-R704 PolarHBondContact O-N 2.74Å; D700-R704 IonicContact OD1-CZ 2.81Å; D700-R704 VanDerWaalsContact OD1-CZ 3.27Å; D700-R704 IonicContact OD1-NE 2.96Å; D700-R704 PolarHBondContact OD1-NE 2.86Å; D700-R704 IonicContact OD1-NH2 2.89Å; D700-R704 PolarHBondContact OD1-NH2 3.27Å; R704-L706 VanDerWaalsContact C-N 3.29Å; R704-L706 PolarHBondContact O-N 3.39Å; R704-G708 VanDerWaalsContact O-CA 3.27Å; R704-G708 WeakPolarHBondContact O-CA 3.43Å; R704-G708 PolarHBondContact O-N 2.79Å
705	P	97	Very high	96.9	Very high	19 Å²	19	56.1 Å²	56.1	12%	0.123	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-33.8	-172.2	22.3	-33.5	0	0	0	114.2	I544 S701 T703 W712 L722 M726	I544-P705 HydrophobicContact CD1-CB 3.8Å; I544-P705 HydrophobicContact CD1-CG 3.48Å; I544-P705 VanDerWaalsContact CD1-CG 3.48Å; I544-P705 HydrophobicContact CG1-CG 4.32Å; S701-P705 VanDerWaalsContact O-CA 3.24Å; S701-P705 WeakPolarHBondContact O-CA 3.41Å; S701-P705 WeakPolarHBondContact O-CB 3.4Å; T703-P705 VanDerWaalsContact C-CD 3.49Å; P705-W712 PolarHBondContact O-NE1 2.95Å; P705-L722 HydrophobicContact CB-CD1 3.82Å; P705-L722 HydrophobicContact CB-CD2 4.28Å; P705-M726 HydrophobicContact CG-CE 4.45Å
706	L	95	Very high	96.7	Very high	62 Å²	62	59.1 Å²	59.1	33%	0.325	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-35.9	-178.8	-61.9	-179.6	0	0	0	112.9	I544 I548 R704 R710	I544-L706 HydrophobicContact CG2-CD1 4.42Å; I544-L706 HydrophobicContact CG2-CD2 3.92Å; I544-L706 HydrophobicContact CG2-CG 4.26Å; I548-L706 HydrophobicContact CD1-CD2 3.86Å; I548-L706 HydrophobicContact CG1-CD2 4.34Å; R704-L706 VanDerWaalsContact C-N 3.29Å; R704-L706 PolarHBondContact O-N 3.39Å; L706-R710 WeakPolarHBondContact O-CD 3.36Å
707	D	94.5	Very high	96.7	Very high	148 Å²	148	57.1 Å²	57.1	79%	0.791	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-5.3	-173.1	-55.8	-49.8	0	0	0	114.2
708	G	95.4	Very high	96.7	Very high	19 Å²	19	55.8 Å²	55.8	20%	0.196	27%	0.273	C	S	.	.	S	Bend	trans	-84.3	-156	178.9	0	0	0	0	0	113.3	R704 R710	R704-G708 VanDerWaalsContact O-CA 3.27Å; R704-G708 WeakPolarHBondContact O-CA 3.43Å; R704-G708 PolarHBondContact O-N 2.79Å; G708-R710 PolarHBondContact O-N 3.41Å
709	R	96.8	Very high	96.7	Very high	114 Å²	114	55.8 Å²	55.8	43%	0.43	27%	0.273	S	S	.	.			trans	-73.8	-11.3	176.7	-62.9	-171.5	-63.3	-84.1	-10.1	112.9	H696 E697 D700 W711	H696-R709 VanDerWaalsContact C-NH2 3.34Å; H696-R709 PolarHBondContact O-NH2 2.89Å; E697-R709 VanDerWaalsContact CD-NH2 3.35Å; E697-R709 IonicContact OE1-CZ 3.63Å; E697-R709 IonicContact OE1-NE 2.71Å; E697-R709 PolarHBondContact OE1-NE 3.42Å; E697-R709 IonicContact OE1-NH2 3.36Å; E697-R709 IonicContact OE2-CZ 3.03Å; E697-R709 VanDerWaalsContact OE2-CZ 3.3Å; E697-R709 IonicContact OE2-NE 3.98Å; E697-R709 PolarHBondContact OE2-NE 3.5Å; E697-R709 IonicContact OE2-NH2 3.42Å; E697-R709 PolarHBondContact OE2-NH2 3Å; D700-R709 VanDerWaalsContact CB-NH2 3.26Å; D700-R709 IonicContact OD1-NH1 3.88Å; D700-R709 WeakPolarHBondContact OD2-CB 3.42Å; D700-R709 IonicContact OD2-CZ 2.77Å; D700-R709 PolarHBondContact OD2-N 3.16Å; R709-W711 PolarHBondContact O-N 2.9Å
710	R	95.4	Very high	96.7	Very high	81 Å²	81	53.7 Å²	53.7	31%	0.306	26%	0.26	S	S	.	.			trans	52.9	37.4	177.2	-57.4	-176.3	71	-168.5	-3.3	112.4	D554 L706 G708 W712 T713	D554-R710 IonicContact OD2-NH2 3.84Å; D554-R710 PolarHBondContact OD2-NH2 2.94Å; L706-R710 WeakPolarHBondContact O-CD 3.36Å; G708-R710 PolarHBondContact O-N 3.41Å; R710-W712 PolarHBondContact O-N 3.03Å; R710-T713 HydrophobicContact CB-CG2 4Å; R710-T713 PolarHBondContact O-N 3.44Å; R710-T713 VanDerWaalsContact O-N 3.16Å; R710-T713 PolarHBondContact O-OG1 2.92Å
711	W	97.2	Very high	96.7	Very high	30 Å²	30	53.3 Å²	53.3	11%	0.114	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-55.5	-40.3	-179.5	166.9	83.4	0	0	0	112.2	T676 I694 E697 I698 R709 T713 K714 T721	T676-W711 HydrophobicContact CG2-CH2 3.34Å; T676-W711 HydrophobicContact CG2-CZ2 3.38Å; T676-W711 HydrophobicContact CG2-CZ3 4.41Å; I694-W711 HydrophobicContact CD1-CH2 3.65Å; I694-W711 HydrophobicContact CD1-CZ2 3.28Å; E697-W711 HydrophobicContact CB-CB 4.02Å; E697-W711 HydrophobicContact CB-CD2 4.02Å; E697-W711 HydrophobicContact CB-CE3 4.36Å; E697-W711 HydrophobicContact CB-CG 3.86Å; E697-W711 HydrophobicContact CG-CB 4.4Å; E697-W711 HydrophobicContact CG-CG 4.26Å; I698-W711 HydrophobicContact CG1-CZ3 4.19Å; R709-W711 PolarHBondContact O-N 2.9Å; W711-T713 PolarHBondContact O-N 3.26Å; W711-T713 VanDerWaalsContact O-N 3.12Å; W711-K714 WeakPolarHBondContact O-CB 3.38Å; W711-K714 PolarHBondContact O-N 2.94Å; W711-T721 HydrophobicContact CH2-CG2 4.16Å; W711-T721 HydrophobicContact CZ3-CG2 3.77Å
712	W	97.4	Very high	96.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-55.4	-28.3	179.5	69.1	-89.2	0	0	0	114.4	L557 P705 R710 K714 S715 P718 W719 T721 L722	L557-W712 HydrophobicContact CD1-CH2 3.62Å; L557-W712 HydrophobicContact CD1-CZ2 4.38Å; L557-W712 HydrophobicContact CD1-CZ3 4.16Å; L557-W712 HydrophobicContact CD2-CE3 4.39Å; L557-W712 HydrophobicContact CD2-CH2 3.99Å; L557-W712 HydrophobicContact CD2-CZ3 3.66Å; L557-W712 HydrophobicContact CG-CH2 4.46Å; P705-W712 PolarHBondContact O-NE1 2.95Å; R710-W712 PolarHBondContact O-N 3.03Å; W712-K714 PolarHBondContact O-N 2.78Å; W712-S715 WeakPolarHBondContact O-CB 3.43Å; W712-S715 PolarHBondContact O-N 3.39Å; W712-P718 HydrophobicContact CE3-CB 3.8Å; W712-P718 VanDerWaalsContact CE3-O 3.23Å; W712-P718 HydrophobicContact CZ3-CB 3.91Å; W712-W719 HydrophobicContact CH2-CE3 4.15Å; W712-W719 HydrophobicContact CH2-CH2 4.04Å; W712-W719 AromaticContact CH2-CZ3 3.81Å; W712-W719 HydrophobicContact CH2-CZ3 3.81Å; W712-W719 HydrophobicContact CZ3-CD2 4.33Å; W712-W719 HydrophobicContact CZ3-CE3 4.05Å; W712-W719 HydrophobicContact CZ3-CZ3 4.19Å; W712-T721 HydrophobicContact CB-CG2 4.14Å; W712-L722 HydrophobicContact CB-CB 4.45Å; W712-L722 HydrophobicContact CD2-CB 3.89Å; W712-L722 HydrophobicContact CD2-CD1 4.26Å; W712-L722 HydrophobicContact CD2-CD2 4.28Å; W712-L722 HydrophobicContact CD2-CG 4.37Å; W712-L722 HydrophobicContact CE3-CB 3.77Å; W712-L722 HydrophobicContact CE3-CD2 4.33Å; W712-L722 HydrophobicContact CG-CB 4.21Å; W712-L722 HydrophobicContact CG-CD1 4.21Å; W712-L722 HydrophobicContact CH2-CD2 3.91Å; W712-L722 HydrophobicContact CZ2-CD2 3.9Å; W712-L722 HydrophobicContact CZ3-CB 4.22Å; W712-L722 HydrophobicContact CZ3-CD2 4.14Å
713	T	97	Very high	96.7	Very high	36 Å²	36	52.7 Å²	52.7	22%	0.221	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-72.8	-13.5	-179	69.9	0	0	0	0	113.1	L557 R710 W711 S715	L557-T713 HydrophobicContact CD1-CG2 4.42Å; L557-T713 HydrophobicContact CD2-CG2 3.95Å; R710-T713 HydrophobicContact CB-CG2 4Å; R710-T713 PolarHBondContact O-N 3.44Å; R710-T713 VanDerWaalsContact O-N 3.16Å; R710-T713 PolarHBondContact O-OG1 2.92Å; W711-T713 PolarHBondContact O-N 3.26Å; W711-T713 VanDerWaalsContact O-N 3.12Å; T713-S715 VanDerWaalsContact C-N 3.31Å
714	K	95.2	Very high	96.8	Very high	171 Å²	171	48.5 Å²	48.5	74%	0.743	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-86.6	-3.3	176.6	-57.9	177.1	-177.3	173.3	0	112.9	W711 W712	W711-K714 WeakPolarHBondContact O-CB 3.38Å; W711-K714 PolarHBondContact O-N 2.94Å; W712-K714 PolarHBondContact O-N 2.78Å
715	S	95.6	Very high	96.9	Very high	17 Å²	17	42.4 Å²	42.4	12%	0.119	20%	0.204	C	C	.	.	S	Bend	trans	-69.2	157.1	-179.8	-177.7	0	0	0	0	112.5	L675 T676 W712 T713 E717 T721	L675-S715 PolarHBondContact O-OG 3.43Å; T676-S715 VanDerWaalsContact CA-OG 3.26Å; T676-S715 WeakPolarHBondContact CA-OG 3.45Å; T676-S715 PolarHBondContact N-OG 2.99Å; W712-S715 WeakPolarHBondContact O-CB 3.43Å; W712-S715 PolarHBondContact O-N 3.39Å; T713-S715 VanDerWaalsContact C-N 3.31Å; S715-E717 VanDerWaalsContact C-N 3.26Å; S715-E717 PolarHBondContact OG-N 2.92Å; S715-E717 VanDerWaalsContact OG-N 3.14Å; S715-E717 PolarHBondContact OG-O 2.75Å; S715-T721 VanDerWaalsContact CB-OG1 3.32Å; S715-T721 WeakPolarHBondContact CB-OG1 3.5Å; S715-T721 PolarHBondContact OG-OG1 2.94Å
716	E	93.2	Very high	96.9	Very high	108 Å²	108	42.7 Å²	42.7	51%	0.505	20%	0.204	S	C	.	.	S	Bend	trans	-66.8	-30.5	166.7	-72.7	-171.5	175.7	0	0	111.5	K680	K680-E716 IonicContact NZ-OE1 3.55Å; K680-E716 PolarHBondContact NZ-OE1 3.25Å; K680-E716 IonicContact NZ-OE2 2.77Å; K680-E716 PolarHBondContact NZ-OE2 2.98Å
717	E	96.7	Very high	97.1	Very high	69 Å²	69	40.3 Å²	40.3	32%	0.322	19%	0.191	S	C	.	.	S	Bend	trans	-129.1	74.3	-178.5	-57.3	-65.1	162.1	0	0	109.6	D646 L675 S715 W719 Q720 T721	D646-E717 WeakPolarHBondContact CB-OE2 3.32Å; L675-E717 HydrophobicContact CB-CB 4.45Å; L675-E717 HydrophobicContact CD2-CB 4.09Å; L675-E717 HydrophobicContact CD2-CG 4.43Å; L675-E717 PolarHBondContact O-N 3.05Å; S715-E717 VanDerWaalsContact C-N 3.26Å; S715-E717 PolarHBondContact OG-N 2.92Å; S715-E717 VanDerWaalsContact OG-N 3.14Å; S715-E717 PolarHBondContact OG-O 2.75Å; E717-W719 PolarHBondContact O-N 3.14Å; E717-Q720 HydrophobicContact CB-CB 4.42Å; E717-Q720 PolarHBondContact OE2-NE2 2.84Å; E717-T721 WeakPolarHBondContact O-CB 3.37Å; E717-T721 PolarHBondContact O-N 3.48Å; E717-T721 PolarHBondContact O-OG1 3.5Å
718	P	98.1	Very high	97.3	Very high	9 Å²	9	33.2 Å²	33.2	6%	0.058	15%	0.154	C	C	.	.	H	α-helix	trans	-63.1	-41.6	-166.1	24.5	-35.1	0	0	0	114.3	L557 D646 W712 T721 L722	L557-P718 HydrophobicContact CD2-CB 3.73Å; L557-P718 HydrophobicContact CD2-CG 3.94Å; D646-P718 WeakPolarHBondContact OD2-CD 3.23Å; D646-P718 VanDerWaalsContact OD2-N 3.16Å; W712-P718 HydrophobicContact CE3-CB 3.8Å; W712-P718 VanDerWaalsContact CE3-O 3.23Å; W712-P718 HydrophobicContact CZ3-CB 3.91Å; P718-T721 WeakPolarHBondContact O-CB 3.42Å; P718-T721 PolarHBondContact O-N 3.34Å; P718-L722 WeakPolarHBondContact O-CB 3.36Å; P718-L722 PolarHBondContact O-N 3.28Å
719	W	98.4	Very high	97.4	Very high	1 Å²	1	32.6 Å²	32.6	0%	0.004	15%	0.146	C	C	.	.	H	α-helix	trans	-71.2	-42.3	-177.3	-65.2	110.3	0	0	0	112.6	V541 I544 M545 I548 L557 I559 D646 W712 E717 T721 L722 A723	V541-W719 HydrophobicContact CG1-CE3 4.15Å; I544-W719 HydrophobicContact CG2-CH2 4.28Å; I544-W719 HydrophobicContact CG2-CZ3 3.95Å; M545-W719 HydrophobicContact CB-CH2 4.32Å; M545-W719 HydrophobicContact CB-CZ3 4.47Å; M545-W719 HydrophobicContact CE-CB 3.58Å; M545-W719 HydrophobicContact CE-CD2 3.27Å; M545-W719 HydrophobicContact CE-CE3 3.46Å; M545-W719 VanDerWaalsContact CE-CE3 3.46Å; M545-W719 HydrophobicContact CE-CG 3.33Å; M545-W719 HydrophobicContact CE-CZ3 4.24Å; M545-W719 HydrophobicContact CG-CD2 4.01Å; M545-W719 HydrophobicContact CG-CE3 3.68Å; M545-W719 HydrophobicContact CG-CH2 3.57Å; M545-W719 HydrophobicContact CG-CZ2 3.94Å; M545-W719 HydrophobicContact CG-CZ3 3.44Å; M545-W719 VanDerWaalsContact CG-CZ3 3.44Å; M545-W719 HydrophobicContact SD-CD2 4.49Å; M545-W719 HydrophobicContact SD-CE3 4.45Å; I548-W719 HydrophobicContact CD1-CH2 3.7Å; I548-W719 HydrophobicContact CD1-CZ2 4.39Å; L557-W719 HydrophobicContact CB-CZ2 3.83Å; L557-W719 HydrophobicContact CD1-CH2 4.32Å; L557-W719 HydrophobicContact CD1-CZ2 4.05Å; L557-W719 HydrophobicContact CG-CZ2 4.5Å; L557-W719 PolarHBondContact O-NE1 2.88Å; I559-W719 HydrophobicContact CD1-CZ2 3.96Å; I559-W719 HydrophobicContact CG1-CZ2 3.56Å; D646-W719 VanDerWaalsContact OD2-CB 3.28Å; D646-W719 WeakPolarHBondContact OD2-CB 3.38Å; D646-W719 VanDerWaalsContact OD2-CD1 3.26Å; D646-W719 PolarHBondContact OD2-N 2.73Å; W712-W719 HydrophobicContact CH2-CE3 4.15Å; W712-W719 HydrophobicContact CH2-CH2 4.04Å; W712-W719 AromaticContact CH2-CZ3 3.81Å; W712-W719 HydrophobicContact CH2-CZ3 3.81Å; W712-W719 HydrophobicContact CZ3-CD2 4.33Å; W712-W719 HydrophobicContact CZ3-CE3 4.05Å; W712-W719 HydrophobicContact CZ3-CZ3 4.19Å; E717-W719 PolarHBondContact O-N 3.14Å; W719-T721 VanDerWaalsContact C-N 3.28Å; W719-T721 PolarHBondContact O-N 3.23Å; W719-L722 HydrophobicContact CE3-CD2 4.24Å; W719-L722 HydrophobicContact CZ3-CD2 4.19Å; W719-L722 PolarHBondContact O-N 3.37Å; W719-A723 WeakPolarHBondContact O-CB 3.32Å; W719-A723 PolarHBondContact O-N 2.83Å
720	Q	98.1	Very high	97.5	Very high	6 Å²	6	30.9 Å²	30.9	3%	0.028	15%	0.146	C	C	.	.	H	α-helix	trans	-62.5	-38.4	170.7	-74.4	170.4	104.4	0	0	111.3	D646 R649 L675 E717 A723 C724	D646-Q720 WeakPolarHBondContact OD1-CB 3.4Å; D646-Q720 WeakPolarHBondContact OD1-CG 3.26Å; D646-Q720 PolarHBondContact OD1-N 2.94Å; D646-Q720 VanDerWaalsContact OD1-N 3.09Å; D646-Q720 PolarHBondContact OD1-NE2 2.88Å; R649-Q720 VanDerWaalsContact CB-CD 3.42Å; R649-Q720 HydrophobicContact CB-CG 3.64Å; L675-Q720 HydrophobicContact CD1-CB 3.89Å; L675-Q720 HydrophobicContact CD2-CB 3.81Å; L675-Q720 HydrophobicContact CG-CB 4.46Å; E717-Q720 HydrophobicContact CB-CB 4.42Å; E717-Q720 PolarHBondContact OE2-NE2 2.84Å; Q720-A723 PolarHBondContact O-N 3.35Å; Q720-C724 WeakPolarHBondContact O-CB 3.49Å; Q720-C724 PolarHBondContact O-N 3.28Å
721	T	98.4	Very high	97.6	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.7	-47.9	177.2	-57.3	0	0	0	0	110.8	L675 T676 W711 W712 S715 E717 P718 W719 A723 C724 C725	L675-T721 WeakPolarHBondContact CB-OG1 3.43Å; T676-T721 HydrophobicContact CG2-CG2 4.37Å; W711-T721 HydrophobicContact CH2-CG2 4.16Å; W711-T721 HydrophobicContact CZ3-CG2 3.77Å; W712-T721 HydrophobicContact CB-CG2 4.14Å; S715-T721 VanDerWaalsContact CB-OG1 3.32Å; S715-T721 WeakPolarHBondContact CB-OG1 3.5Å; S715-T721 PolarHBondContact OG-OG1 2.94Å; E717-T721 WeakPolarHBondContact O-CB 3.37Å; E717-T721 PolarHBondContact O-N 3.48Å; E717-T721 PolarHBondContact O-OG1 3.5Å; P718-T721 WeakPolarHBondContact O-CB 3.42Å; P718-T721 PolarHBondContact O-N 3.34Å; W719-T721 VanDerWaalsContact C-N 3.28Å; W719-T721 PolarHBondContact O-N 3.23Å; T721-A723 VanDerWaalsContact C-N 3.34Å; T721-A723 PolarHBondContact O-N 2.88Å; T721-C724 PolarHBondContact O-N 3.33Å; T721-C725 PolarHBondContact O-N 2.84Å; T721-C725 PolarHBondContact O-SG 3.21Å
722	L	98.7	Very high	97.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.5	-45.8	176.5	176.3	60.1	0	0	0	111.7	I544 S701 P705 W712 P718 W719 C724 C725 M726	I544-L722 HydrophobicContact CD1-CD2 3.95Å; I544-L722 HydrophobicContact CG2-CD2 4.47Å; S701-L722 VanDerWaalsContact O-CD1 3.24Å; S701-L722 WeakPolarHBondContact O-CD1 3.16Å; P705-L722 HydrophobicContact CB-CD1 3.82Å; P705-L722 HydrophobicContact CB-CD2 4.28Å; W712-L722 HydrophobicContact CB-CB 4.45Å; W712-L722 HydrophobicContact CD2-CB 3.89Å; W712-L722 HydrophobicContact CD2-CD1 4.26Å; W712-L722 HydrophobicContact CD2-CD2 4.28Å; W712-L722 HydrophobicContact CD2-CG 4.37Å; W712-L722 HydrophobicContact CE3-CB 3.77Å; W712-L722 HydrophobicContact CE3-CD2 4.33Å; W712-L722 HydrophobicContact CG-CB 4.21Å; W712-L722 HydrophobicContact CG-CD1 4.21Å; W712-L722 HydrophobicContact CH2-CD2 3.91Å; W712-L722 HydrophobicContact CZ2-CD2 3.9Å; W712-L722 HydrophobicContact CZ3-CB 4.22Å; W712-L722 HydrophobicContact CZ3-CD2 4.14Å; P718-L722 WeakPolarHBondContact O-CB 3.36Å; P718-L722 PolarHBondContact O-N 3.28Å; W719-L722 HydrophobicContact CE3-CD2 4.24Å; W719-L722 HydrophobicContact CZ3-CD2 4.19Å; W719-L722 PolarHBondContact O-N 3.37Å; L722-C724 VanDerWaalsContact C-N 3.32Å; L722-C724 PolarHBondContact O-N 3.38Å; L722-C725 WeakPolarHBondContact O-CB 3.4Å; L722-C725 PolarHBondContact O-N 2.98Å; L722-M726 HydrophobicContact CD1-CE 4.14Å; L722-M726 HydrophobicContact CG-CE 4.3Å; L722-M726 WeakPolarHBondContact O-CG 3.16Å; L722-M726 PolarHBondContact O-N 3.34Å
723	A	98.6	Very high	97.7	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.008	17%	0.173	C	C	.	.	H	α-helix	trans	-60	-42.8	177.8	0	0	0	0	0	111.6	V541 W719 Q720 T721 M726 E727 F745	V541-A723 HydrophobicContact CG2-CB 3.88Å; W719-A723 WeakPolarHBondContact O-CB 3.32Å; W719-A723 PolarHBondContact O-N 2.83Å; Q720-A723 PolarHBondContact O-N 3.35Å; T721-A723 VanDerWaalsContact C-N 3.34Å; T721-A723 PolarHBondContact O-N 2.88Å; A723-M726 PolarHBondContact O-N 2.89Å; A723-E727 PolarHBondContact O-N 3.48Å; A723-E727 VanDerWaalsContact O-N 3.08Å; A723-F745 HydrophobicContact CB-CE2 3.61Å; A723-F745 HydrophobicContact CB-CZ 4.37Å
724	C	98.6	Very high	97.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-67.5	-37.4	175.8	-167.3	0	0	0	0	112.2	L668 C672 L675 Q720 T721 L722 M726 E727 I728 F745	L668-C724 PolarHBondContact O-SG 2.95Å; C672-C724 HydrophobicContact CB-CB 4.45Å; L675-C724 HydrophobicContact CD1-CB 4.11Å; Q720-C724 WeakPolarHBondContact O-CB 3.49Å; Q720-C724 PolarHBondContact O-N 3.28Å; T721-C724 PolarHBondContact O-N 3.33Å; L722-C724 VanDerWaalsContact C-N 3.32Å; L722-C724 PolarHBondContact O-N 3.38Å; C724-M726 VanDerWaalsContact C-N 3.35Å; C724-E727 PolarHBondContact O-N 3.39Å; C724-I728 WeakPolarHBondContact O-CG1 3.49Å; C724-I728 PolarHBondContact O-N 3.21Å; C724-F745 HydrophobicContact CB-CE1 3.97Å; C724-F745 HydrophobicContact CB-CE2 4.22Å; C724-F745 HydrophobicContact CB-CZ 3.65Å
725	C	98.7	Very high	97.7	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60	-45.6	174.1	-71.8	0	0	0	0	111.3	I698 A702 T721 L722 E727 I728 A729	I698-C725 HydrophobicContact CG2-CB 3.97Å; A702-C725 HydrophobicContact CB-CB 4.3Å; A702-C725 WeakPolarHBondContact CB-O 3.38Å; T721-C725 PolarHBondContact O-N 2.84Å; T721-C725 PolarHBondContact O-SG 3.21Å; L722-C725 WeakPolarHBondContact O-CB 3.4Å; L722-C725 PolarHBondContact O-N 2.98Å; C725-E727 VanDerWaalsContact C-N 3.32Å; C725-E727 PolarHBondContact O-N 2.83Å; C725-I728 PolarHBondContact O-N 3.44Å; C725-A729 WeakPolarHBondContact O-CB 3.27Å; C725-A729 PolarHBondContact O-N 3.01Å
726	M	98.6	Very high	97.7	Very high	24 Å²	24	42.6 Å²	42.6	12%	0.118	21%	0.213	C	C	.	.	H	α-helix	trans	-59.7	-43.3	175.4	-70.4	-180	168.7	0	0	111.5	P540 V541 I544 A702 P705 L722 A723 C724 A729 N730	P540-M726 HydrophobicContact CB-CE 4.18Å; P540-M726 HydrophobicContact CB-SD 3.76Å; V541-M726 HydrophobicContact CG2-SD 3.88Å; I544-M726 HydrophobicContact CD1-CE 3.44Å; I544-M726 VanDerWaalsContact CD1-CE 3.44Å; A702-M726 HydrophobicContact CB-CG 4.23Å; P705-M726 HydrophobicContact CG-CE 4.45Å; L722-M726 HydrophobicContact CD1-CE 4.14Å; L722-M726 HydrophobicContact CG-CE 4.3Å; L722-M726 WeakPolarHBondContact O-CG 3.16Å; L722-M726 PolarHBondContact O-N 3.34Å; A723-M726 PolarHBondContact O-N 2.89Å; C724-M726 VanDerWaalsContact C-N 3.35Å; M726-A729 PolarHBondContact O-N 3.32Å; M726-N730 WeakPolarHBondContact O-CB 3.49Å; M726-N730 PolarHBondContact O-N 3.41Å; M726-N730 PolarHBondContact O-ND2 2.9Å
727	E	98.5	Very high	97.8	Very high	12 Å²	12	38.6 Å²	38.6	6%	0.056	20%	0.201	C	C	.	.	H	α-helix	trans	-62.6	-43.9	177.1	-163.7	77.6	167.4	0	0	112.3	L668 A723 C724 C725 N730 A731 Y741 S743 H744 F745	L668-E727 HydrophobicContact CD1-CB 4.38Å; L668-E727 HydrophobicContact CD1-CG 4.19Å; L668-E727 HydrophobicContact CD2-CB 4.26Å; L668-E727 HydrophobicContact CD2-CG 3.87Å; A723-E727 PolarHBondContact O-N 3.48Å; A723-E727 VanDerWaalsContact O-N 3.08Å; C724-E727 PolarHBondContact O-N 3.39Å; C725-E727 VanDerWaalsContact C-N 3.32Å; C725-E727 PolarHBondContact O-N 2.83Å; E727-N730 PolarHBondContact O-N 3.47Å; E727-A731 WeakPolarHBondContact O-CB 3.22Å; E727-A731 PolarHBondContact O-N 3.29Å; E727-Y741 HydrophobicContact CG-CE1 4.14Å; E727-Y741 WeakPolarHBondContact OE1-CE1 3.2Å; E727-S743 WeakPolarHBondContact OE1-CA 3.3Å; E727-S743 WeakPolarHBondContact OE1-CB 3.09Å; E727-S743 PolarHBondContact OE1-OG 3.46Å; E727-H744 PolarHBondContact OE1-N 3.39Å; E727-F745 HydrophobicContact CB-CB 4.19Å; E727-F745 HydrophobicContact CB-CD2 4.26Å; E727-F745 HydrophobicContact CB-CG 4.28Å; E727-F745 HydrophobicContact CG-CB 3.6Å; E727-F745 HydrophobicContact CG-CG 4.21Å; E727-F745 PolarHBondContact OE1-N 2.9Å
728	I	98.6	Very high	97.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.7	-44.3	176.9	-68.9	167.9	0	0	0	110.8	F665 L668 K669 C672 L695 I698 C724 C725 N730 A731 L732	F665-I728 HydrophobicContact CE2-CG2 4.2Å; L668-I728 HydrophobicContact CD2-CG1 3.67Å; L668-I728 HydrophobicContact CG-CD1 4.34Å; L668-I728 HydrophobicContact CG-CG1 3.65Å; K669-I728 HydrophobicContact CG-CD1 4.36Å; C672-I728 HydrophobicContact CB-CD1 3.77Å; L695-I728 HydrophobicContact CD1-CG2 4.09Å; I698-I728 HydrophobicContact CD1-CD1 4.36Å; I698-I728 HydrophobicContact CG2-CB 3.98Å; I698-I728 HydrophobicContact CG2-CD1 3.97Å; I698-I728 HydrophobicContact CG2-CG2 3.9Å; C724-I728 WeakPolarHBondContact O-CG1 3.49Å; C724-I728 PolarHBondContact O-N 3.21Å; C725-I728 PolarHBondContact O-N 3.44Å; I728-N730 VanDerWaalsContact C-N 3.35Å; I728-A731 PolarHBondContact O-N 3.47Å; I728-L732 HydrophobicContact CG2-CD1 4.04Å; I728-L732 HydrophobicContact CG2-CG 4.44Å; I728-L732 WeakPolarHBondContact O-CG 2.88Å; I728-L732 PolarHBondContact O-N 2.93Å
729	A	98.3	Very high	97.7	Very high	5 Å²	5	38.3 Å²	38.3	4%	0.041	20%	0.203	C	C	.	.	H	α-helix	trans	-63.7	-41	178	0	0	0	0	0	111.7	A702 C725 M726 L732 N733	A702-A729 HydrophobicContact CB-CB 3.48Å; A702-A729 VanDerWaalsContact CB-CB 3.48Å; C725-A729 WeakPolarHBondContact O-CB 3.27Å; C725-A729 PolarHBondContact O-N 3.01Å; M726-A729 PolarHBondContact O-N 3.32Å; A729-L732 PolarHBondContact O-N 2.96Å; A729-N733 WeakPolarHBondContact O-CB 3.15Å; A729-N733 VanDerWaalsContact O-CG 3.26Å; A729-N733 PolarHBondContact O-N 3.35Å; A729-N733 PolarHBondContact O-ND2 2.88Å; A729-N733 VanDerWaalsContact O-ND2 3.16Å
730	N	98.3	Very high	97.6	Very high	78 Å²	78	45.2 Å²	45.2	42%	0.417	23%	0.229	S	C	.	.	H	α-helix	trans	-62.6	-42.5	174.8	-68.7	-22	0	0	0	111.8	M726 E727 I728 N733 C734 Y741	M726-N730 WeakPolarHBondContact O-CB 3.49Å; M726-N730 PolarHBondContact O-N 3.41Å; M726-N730 PolarHBondContact O-ND2 2.9Å; E727-N730 PolarHBondContact O-N 3.47Å; I728-N730 VanDerWaalsContact C-N 3.35Å; N730-N733 PolarHBondContact O-N 3.43Å; N730-C734 PolarHBondContact O-N 3.21Å; N730-Y741 HydrophobicContact CB-CE1 4.43Å; N730-Y741 HydrophobicContact CB-CE2 3.84Å; N730-Y741 WeakPolarHBondContact CB-OH 3.45Å
731	A	98.2	Very high	97.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.5	-44.9	175.9	0	0	0	0	0	111.9	L660 F665 E727 I728 N733 C734 A738 Y741	L660-A731 HydrophobicContact CD1-CB 3.82Å; F665-A731 HydrophobicContact CD2-CB 4.2Å; F665-A731 HydrophobicContact CE2-CB 3.95Å; E727-A731 WeakPolarHBondContact O-CB 3.22Å; E727-A731 PolarHBondContact O-N 3.29Å; I728-A731 PolarHBondContact O-N 3.47Å; A731-N733 VanDerWaalsContact C-N 3.27Å; A731-N733 PolarHBondContact O-N 3.14Å; A731-C734 VanDerWaalsContact O-CB 3.23Å; A731-C734 WeakPolarHBondContact O-CB 3.05Å; A731-C734 PolarHBondContact O-N 3.4Å; A731-A738 HydrophobicContact CB-CB 4.24Å; A731-A738 WeakPolarHBondContact O-CA 3.31Å; A731-A738 WeakPolarHBondContact O-CB 3.24Å; A731-Y741 HydrophobicContact CB-CD1 3.62Å; A731-Y741 HydrophobicContact CB-CE1 4.26Å; A731-Y741 HydrophobicContact CB-CG 3.83Å
732	L	97.8	Very high	97.6	Very high	66 Å²	66	50.1 Å²	50.1	35%	0.346	26%	0.255	S	S	.	.	H	α-helix	trans	-61.9	-34.5	176.5	-73.3	170.6	0	0	0	113	F665 L695 V699 I728 A729 C734	F665-L732 HydrophobicContact CE1-CD2 4.24Å; F665-L732 HydrophobicContact CZ-CD2 3.67Å; F665-L732 HydrophobicContact CZ-CG 3.99Å; L695-L732 HydrophobicContact CD1-CD1 4.06Å; L695-L732 HydrophobicContact CD2-CD1 4.15Å; L695-L732 HydrophobicContact CG-CD1 4.25Å; V699-L732 HydrophobicContact CG2-CD1 3.95Å; I728-L732 HydrophobicContact CG2-CD1 4.04Å; I728-L732 HydrophobicContact CG2-CG 4.44Å; I728-L732 WeakPolarHBondContact O-CG 2.88Å; I728-L732 PolarHBondContact O-N 2.93Å; A729-L732 PolarHBondContact O-N 2.96Å; L732-C734 VanDerWaalsContact C-N 3.29Å
733	N	97.4	Very high	97.5	Very high	122 Å²	122	50.2 Å²	50.2	65%	0.652	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	1.5	179.4	-68.1	-28.7	0	0	0	113.4	A729 N730 A731 Q735	A729-N733 WeakPolarHBondContact O-CB 3.15Å; A729-N733 VanDerWaalsContact O-CG 3.26Å; A729-N733 PolarHBondContact O-N 3.35Å; A729-N733 PolarHBondContact O-ND2 2.88Å; A729-N733 VanDerWaalsContact O-ND2 3.16Å; N730-N733 PolarHBondContact O-N 3.43Å; A731-N733 VanDerWaalsContact C-N 3.27Å; A731-N733 PolarHBondContact O-N 3.14Å; N733-Q735 PolarHBondContact O-N 3.05Å
734	C	96.9	Very high	97.5	Very high	34 Å²	34	52.9 Å²	52.9	23%	0.23	27%	0.268	C	S	.	.			trans	-69.3	120.8	176	-172.5	0	0	0	0	110	N730 A731 L732 E736 G737 Y741	N730-C734 PolarHBondContact O-N 3.21Å; A731-C734 VanDerWaalsContact O-CB 3.23Å; A731-C734 WeakPolarHBondContact O-CB 3.05Å; A731-C734 PolarHBondContact O-N 3.4Å; L732-C734 VanDerWaalsContact C-N 3.29Å; C734-E736 PolarHBondContact O-N 2.99Å; C734-G737 PolarHBondContact O-N 3.33Å; C734-Y741 HydrophobicContact CB-CD2 4.15Å
735	Q	95.4	Very high	97.5	Very high	203 Å²	203	53.3 Å²	53.3	95%	0.949	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-32.6	-175.6	-68.7	-178.2	-23.2	0	0	113.4	N733 G737	N733-Q735 PolarHBondContact O-N 3.05Å; Q735-G737 VanDerWaalsContact C-N 3.28Å; Q735-G737 PolarHBondContact O-N 2.96Å
736	E	95.6	Very high	97.4	Very high	157 Å²	157	53.5 Å²	53.5	73%	0.734	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-3.8	178.6	-63.6	177.7	-160	0	0	113.4	C734 R740	C734-E736 PolarHBondContact O-N 2.99Å; E736-R740 HydrophobicContact CB-CB 3.81Å; E736-R740 HydrophobicContact CB-CG 4.16Å
737	G	96	Very high	97.4	Very high	24 Å²	24	52.4 Å²	52.4	25%	0.247	27%	0.265	C	S	.	.			trans	104.6	154	-176.5	0	0	0	0	0	113.6	C734 Q735 D739 R740 Y741	C734-G737 PolarHBondContact O-N 3.33Å; Q735-G737 VanDerWaalsContact C-N 3.28Å; Q735-G737 PolarHBondContact O-N 2.96Å; G737-D739 PolarHBondContact O-N 3.2Å; G737-R740 PolarHBondContact O-N 3.04Å; G737-Y741 PolarHBondContact O-N 3.17Å
738	A	96.3	Very high	97.2	Very high	17 Å²	17	52.8 Å²	52.8	14%	0.14	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-27.4	-176.6	0	0	0	0	0	113.7	F665 A731 R740 Y741	F665-A738 HydrophobicContact CD1-CB 3.88Å; F665-A738 HydrophobicContact CD2-CB 4.23Å; F665-A738 HydrophobicContact CE1-CB 3.73Å; F665-A738 HydrophobicContact CE2-CB 4.11Å; F665-A738 HydrophobicContact CG-CB 4.12Å; F665-A738 HydrophobicContact CZ-CB 3.86Å; A731-A738 HydrophobicContact CB-CB 4.24Å; A731-A738 WeakPolarHBondContact O-CA 3.31Å; A731-A738 WeakPolarHBondContact O-CB 3.24Å; A738-R740 VanDerWaalsContact C-N 3.28Å; A738-R740 PolarHBondContact O-N 3.32Å; A738-Y741 PolarHBondContact O-N 3.31Å
739	D	95.3	Very high	97	Very high	54 Å²	54	52.9 Å²	52.9	29%	0.289	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-18.6	175.6	62.7	-61.2	0	0	0	113.1	V659 G661 K662 G737	V659-D739 WeakPolarHBondContact CG1-O 3.09Å; G661-D739 VanDerWaalsContact CA-O 3.29Å; G661-D739 WeakPolarHBondContact CA-O 3.09Å; G661-D739 PolarHBondContact N-O 3.45Å; K662-D739 HydrophobicContact CG-CB 4.2Å; G737-D739 PolarHBondContact O-N 3.2Å
740	R	97.7	Very high	96.7	Very high	147 Å²	147	55.7 Å²	55.7	56%	0.555	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-12.2	176.1	-61.5	-58.2	-177.1	170.3	1.9	113.7	E736 G737 A738 V742	E736-R740 HydrophobicContact CB-CB 3.81Å; E736-R740 HydrophobicContact CB-CG 4.16Å; G737-R740 PolarHBondContact O-N 3.04Å; A738-R740 VanDerWaalsContact C-N 3.28Å; A738-R740 PolarHBondContact O-N 3.32Å; R740-V742 PolarHBondContact O-N 2.99Å
741	Y	98.3	Very high	96.1	Very high	41 Å²	41	52.7 Å²	52.7	16%	0.161	27%	0.269	C	S	.	.			trans	-58.8	132.1	176.9	-179.8	-106.9	0	0	0	112.2	V659 L660 E727 N730 A731 C734 G737 A738 S743	V659-Y741 WeakPolarHBondContact CA-O 3.16Å; L660-Y741 HydrophobicContact CD1-CD1 3.79Å; L660-Y741 HydrophobicContact CG-CD1 4.28Å; L660-Y741 PolarHBondContact N-O 3.41Å; E727-Y741 HydrophobicContact CG-CE1 4.14Å; E727-Y741 WeakPolarHBondContact OE1-CE1 3.2Å; N730-Y741 HydrophobicContact CB-CE1 4.43Å; N730-Y741 HydrophobicContact CB-CE2 3.84Å; N730-Y741 WeakPolarHBondContact CB-OH 3.45Å; A731-Y741 HydrophobicContact CB-CD1 3.62Å; A731-Y741 HydrophobicContact CB-CE1 4.26Å; A731-Y741 HydrophobicContact CB-CG 3.83Å; C734-Y741 HydrophobicContact CB-CD2 4.15Å; G737-Y741 PolarHBondContact O-N 3.17Å; A738-Y741 PolarHBondContact O-N 3.31Å; Y741-S743 PolarHBondContact O-N 2.85Å
742	V	97.5	Very high	95.3	Very high	67 Å²	67	53.9 Å²	53.9	41%	0.406	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	104.7	175.4	178.4	0	0	0	0	108.7	V659 R740	V659-V742 HydrophobicContact CG2-CG2 4.01Å; R740-V742 PolarHBondContact O-N 2.99Å
743	S	98.1	Very high	94.8	Very high	2 Å²	2	51 Å²	51	1%	0.014	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	134.2	-177.5	178.7	0	0	0	0	112.2	G657 R658 L660 E727 Y741 F745 H993	G657-S743 CarbonylContact C-O 3.4Å; G657-S743 WeakPolarHBondContact CA-O 3.36Å; R658-S743 PolarHBondContact N-O 3.44Å; R658-S743 PolarHBondContact O-N 3.01Å; L660-S743 VanDerWaalsContact CD2-CB 3.42Å; E727-S743 WeakPolarHBondContact OE1-CA 3.3Å; E727-S743 WeakPolarHBondContact OE1-CB 3.09Å; E727-S743 PolarHBondContact OE1-OG 3.46Å; Y741-S743 PolarHBondContact O-N 2.85Å; S743-F745 PolarHBondContact OG-N 2.95Å; S743-H993 PolarHBondContact O-ND1 3.06Å
744	H	97.6	Very high	94.5	Very high	58 Å²	58	45.4 Å²	45.4	27%	0.269	23%	0.233	S	C	.	.			trans	-101.3	-6	175.3	-70.6	-103.1	0	0	0	112.2	L653 F654 A655 G657 E727	L653-H744 HydrophobicContact CB-CB 4.2Å; F654-H744 PolarHBondContact N-O 2.71Å; F654-H744 WeakPolarHBondContact O-CB 3.41Å; F654-H744 PolarHBondContact O-ND1 3.49Å; A655-H744 PolarHBondContact O-CE1 3.45Å; A655-H744 PolarHBondContact O-ND1 2.86Å; G657-H744 PolarHBondContact N-CE1 2.91Å; G657-H744 PolarHBondContact N-ND1 2.97Å; E727-H744 PolarHBondContact OE1-N 3.39Å
745	F	98.4	Very high	94.3	Very high	8 Å²	8	43.9 Å²	43.9	4%	0.035	22%	0.223	C	C	.	.			trans	-74	127.6	-171.4	-165.1	-91.5	0	0	0	112	L653 L668 H671 A723 C724 E727 S743 I747	L653-F745 HydrophobicContact CD2-CD2 3.81Å; L668-F745 HydrophobicContact CD1-CB 4.47Å; L668-F745 HydrophobicContact CD1-CD1 3.89Å; L668-F745 HydrophobicContact CD1-CG 4.35Å; H671-F745 AromaticContact CD2-CE1 3.61Å; H671-F745 AromaticContact NE2-CE1 3.68Å; A723-F745 HydrophobicContact CB-CE2 3.61Å; A723-F745 HydrophobicContact CB-CZ 4.37Å; C724-F745 HydrophobicContact CB-CE1 3.97Å; C724-F745 HydrophobicContact CB-CE2 4.22Å; C724-F745 HydrophobicContact CB-CZ 3.65Å; E727-F745 HydrophobicContact CB-CB 4.19Å; E727-F745 HydrophobicContact CB-CD2 4.26Å; E727-F745 HydrophobicContact CB-CG 4.28Å; E727-F745 HydrophobicContact CG-CB 3.6Å; E727-F745 HydrophobicContact CG-CG 4.21Å; E727-F745 PolarHBondContact OE1-N 2.9Å; S743-F745 PolarHBondContact OG-N 2.95Å; F745-I747 HydrophobicContact CD1-CD1 3.76Å; F745-I747 HydrophobicContact CE1-CD1 4.13Å
746	P	97.8	Very high	94.2	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.032	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	131.7	175.2	29.6	-32.2	0	0	0	111.1	F654 W991	F654-P746 HydrophobicContact CD2-CB 4.18Å; F654-P746 HydrophobicContact CE2-CB 3.65Å; F654-P746 HydrophobicContact CZ-CB 3.84Å; P746-W991 HydrophobicContact CB-CD2 4.49Å; P746-W991 HydrophobicContact CB-CE3 3.55Å; P746-W991 HydrophobicContact CB-CZ3 4.02Å; P746-W991 HydrophobicContact CG-CE3 3.9Å; P746-W991 HydrophobicContact CG-CZ3 3.82Å
747	I	97	Very high	94.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	126.5	170.4	-56.2	-60.9	0	0	0	108.5	L668 H671 F745 W991 T992 A994 V997	L668-I747 HydrophobicContact CD1-CD1 3.74Å; H671-I747 HydrophobicContact CB-CD1 3.7Å; H671-I747 HydrophobicContact CB-CG2 4.06Å; F745-I747 HydrophobicContact CD1-CD1 3.76Å; F745-I747 HydrophobicContact CE1-CD1 4.13Å; I747-W991 VanDerWaalsContact O-CA 3.29Å; I747-W991 WeakPolarHBondContact O-CA 3.49Å; I747-T992 PolarHBondContact N-O 3.06Å; I747-T992 PolarHBondContact O-N 3.46Å; I747-A994 HydrophobicContact CD1-CB 4.29Å; I747-A994 HydrophobicContact CG1-CB 3.56Å; I747-V997 HydrophobicContact CB-CG2 4Å; I747-V997 HydrophobicContact CG2-CG2 3.77Å
748	H	94.5	Very high	94.3	Very high	20 Å²	20	25.8 Å²	25.8	9%	0.093	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	149.4	176.6	68.2	81.1	0	0	0	113.2	H671 D750 F990 W991	H671-H748 AromaticContact CE1-CD2 3.39Å; H671-H748 PolarHBondContact CE1-CD2 3.35Å; H671-H748 AromaticContact CE1-CE1 3.97Å; H671-H748 AromaticContact CE1-CG 3.9Å; H671-H748 AromaticContact CE1-NE2 3.44Å; H671-H748 PolarHBondContact CE1-NE2 3.49Å; H748-D750 IonicContact CE1-OD1 3.42Å; H748-D750 IonicContact CG-OD1 3.69Å; H748-D750 IonicContact ND1-OD1 3.98Å; H748-D750 PolarHBondContact ND1-OD1 2.98Å; H748-D750 IonicContact ND1-OD2 3.28Å; H748-F990 CarbonylContact C-O 3.55Å; H748-F990 VanDerWaalsContact CA-O 3.25Å; H748-F990 WeakPolarHBondContact CA-O 3.37Å; H748-W991 HydrophobicContact CB-CD2 3.98Å; H748-W991 HydrophobicContact CB-CG 3.72Å; H748-W991 HydrophobicContact CB-CZ2 4.41Å; H748-W991 VanDerWaalsContact CB-NE1 3.26Å; H748-W991 AromaticContact CG-NE1 4Å
749	Q	94.7	Very high	94.3	Very high	2 Å²	2	25 Å²	25	1%	0.009	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	124.6	175.7	-60.1	-69.2	-88.9	0	0	108.1	C989 F990 V997 M1000 N1001 F1070	Q749-C989 WeakPolarHBondContact O-CA 3.29Å; Q749-F990 PolarHBondContact N-O 2.66Å; Q749-F990 PolarHBondContact O-N 3.46Å; Q749-V997 HydrophobicContact CG-CG1 4.05Å; Q749-M1000 HydrophobicContact CB-CE 4Å; Q749-M1000 HydrophobicContact CG-CE 3.52Å; Q749-N1001 PolarHBondContact OE1-ND2 2.9Å; Q749-N1001 VanDerWaalsContact OE1-ND2 3.14Å; Q749-F1070 HydrophobicContact CB-CB 4.15Å; Q749-F1070 WeakPolarHBondContact O-CD1 3.44Å
750	D	91.7	Very high	94.3	Very high	64 Å²	64	22.4 Å²	22.4	34%	0.342	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	137.1	-170.8	-69.1	12.5	0	0	0	110.9	H748 C989 F1070 N1071	H748-D750 IonicContact CE1-OD1 3.42Å; H748-D750 IonicContact CG-OD1 3.69Å; H748-D750 IonicContact ND1-OD1 3.98Å; H748-D750 PolarHBondContact ND1-OD1 2.98Å; H748-D750 IonicContact ND1-OD2 3.28Å; D750-C989 PolarHBondContact OD1-SG 2.97Å; D750-F1070 VanDerWaalsContact O-CA 3.28Å; D750-F1070 WeakPolarHBondContact O-CA 3.41Å; D750-N1071 PolarHBondContact N-O 3.5Å; D750-N1071 PolarHBondContact O-N 3.23Å; D750-N1071 VanDerWaalsContact O-N 3.09Å
751	G	86.9	Confident	94.3	Very high	15 Å²	15	15.4 Å²	15.4	16%	0.155	9%	0.086	C	C	.	.	B	Isolated β-bridge	trans	-67	131.7	171.5	0	0	0	0	0	111.7	C753 D988	G751-C753 PolarHBondContact O-N 3Å; G751-D988 PolarHBondContact N-O 3.14Å; G751-D988 VanDerWaalsContact N-O 3.12Å
752	S	80.2	Confident	94.2	Very high	25 Å²	25	13.9 Å²	13.9	18%	0.175	8%	0.08	C	C	.	.	S	Bend	trans	-57.3	-46.5	-176.7	-66.6	0	0	0	0	113.3	N773 Y784 Y1068	S752-N773 PolarHBondContact OG-ND2 2.92Å; S752-Y784 PolarHBondContact O-OH 2.83Å; S752-Y1068 PolarHBondContact OG-O 3Å
753	C	87.4	Confident	94.2	Very high	7 Å²	7	10.8 Å²	10.8	5%	0.047	6%	0.062	C	C	.	.	S	Bend	trans	-160.5	78.5	170	-166.4	0	0	0	0	108.9	G751 G755 L756 Q757 V772 V783	G751-C753 PolarHBondContact O-N 3Å; C753-G755 VanDerWaalsContact C-N 3.34Å; C753-G755 PolarHBondContact O-N 3.23Å; C753-L756 HydrophobicContact CB-CB 4.32Å; C753-L756 HydrophobicContact CB-CD1 4.39Å; C753-L756 PolarHBondContact O-N 3.31Å; C753-Q757 PolarHBondContact O-N 3.18Å; C753-V772 HydrophobicContact CB-CG1 4.36Å; C753-V783 HydrophobicContact CB-CG1 4.02Å
754	N	91.6	Very high	94.2	Very high	4 Å²	4	12.9 Å²	12.9	2%	0.021	7%	0.07	C	C	.	.	H	α-helix	trans	-50.8	-47.8	-169.1	-173.7	-55.4	0	0	0	113.2	L756 Q757 H758 D965 D988	N754-L756 VanDerWaalsContact C-N 3.33Å; N754-L756 PolarHBondContact O-N 3.25Å; N754-Q757 VanDerWaalsContact CA-OE1 3.32Å; N754-Q757 WeakPolarHBondContact O-CA 3.46Å; N754-Q757 VanDerWaalsContact O-CB 3.31Å; N754-Q757 WeakPolarHBondContact O-CB 3.37Å; N754-Q757 PolarHBondContact O-N 3.46Å; N754-H758 PolarHBondContact O-CD2 3.14Å; N754-H758 VanDerWaalsContact O-CD2 3.31Å; N754-H758 PolarHBondContact O-N 2.84Å; N754-H758 PolarHBondContact OD1-CD2 3.3Å; N754-H758 PolarHBondContact OD1-NE2 3.4Å; N754-D965 VanDerWaalsContact CG-CG 3.43Å; N754-D965 VanDerWaalsContact CG-OD1 3.3Å; N754-D965 PolarHBondContact ND2-OD1 3.16Å; N754-D965 PolarHBondContact OD1-OD1 3.2Å; N754-D965 PolarHBondContact OD1-OD2 2.95Å; N754-D988 HydrophobicContact CB-CB 3.96Å
755	G	92.8	Very high	94.1	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.01	6%	0.061	C	C	.	.	H	α-helix	trans	-56.8	-40.9	177.5	0	0	0	0	0	114.4	C753 Y759 Y827	C753-G755 VanDerWaalsContact C-N 3.34Å; C753-G755 PolarHBondContact O-N 3.23Å; G755-Y759 WeakPolarHBondContact O-CD2 3.33Å; G755-Y759 PolarHBondContact O-N 3Å; G755-Y827 PolarHBondContact N-OH 2.93Å
756	L	93.7	Very high	93.9	Very high	4 Å²	4	12.3 Å²	12.3	2%	0.021	7%	0.074	C	C	.	.	H	α-helix	trans	-73.6	-33.1	174.9	-74	175.7	0	0	0	112.2	C753 N754 H758 Y759 A760 V772 V783 V826 F872	C753-L756 HydrophobicContact CB-CB 4.32Å; C753-L756 HydrophobicContact CB-CD1 4.39Å; C753-L756 PolarHBondContact O-N 3.31Å; N754-L756 VanDerWaalsContact C-N 3.33Å; N754-L756 PolarHBondContact O-N 3.25Å; L756-H758 VanDerWaalsContact C-N 3.33Å; L756-H758 PolarHBondContact O-N 2.97Å; L756-Y759 PolarHBondContact O-N 3.32Å; L756-A760 VanDerWaalsContact O-CB 3.31Å; L756-A760 WeakPolarHBondContact O-CB 3.47Å; L756-A760 PolarHBondContact O-N 3Å; L756-V772 HydrophobicContact CB-CG1 3.73Å; L756-V772 HydrophobicContact CD1-CG1 4.08Å; L756-V783 HydrophobicContact CD1-CG2 3.89Å; L756-V826 HydrophobicContact CB-CG1 4.36Å; L756-V826 HydrophobicContact CD1-CG1 4.45Å; L756-V826 HydrophobicContact CD2-CG1 3.2Å; L756-V826 HydrophobicContact CG-CG1 3.38Å; L756-F872 HydrophobicContact CB-CE1 4.42Å; L756-F872 HydrophobicContact CD1-CD2 4.35Å; L756-F872 HydrophobicContact CD1-CE1 4.04Å; L756-F872 HydrophobicContact CD1-CE2 3.79Å; L756-F872 HydrophobicContact CD1-CZ 3.62Å; L756-F872 HydrophobicContact CD2-CB 4.44Å; L756-F872 HydrophobicContact CD2-CD1 3.85Å; L756-F872 HydrophobicContact CD2-CD2 4.05Å; L756-F872 HydrophobicContact CD2-CE1 4.06Å; L756-F872 HydrophobicContact CD2-CE2 4.28Å; L756-F872 HydrophobicContact CD2-CG 3.84Å; L756-F872 HydrophobicContact CD2-CZ 4.3Å; L756-F872 HydrophobicContact CG-CE1 4.41Å; L756-F872 HydrophobicContact CG-CZ 4.45Å
757	Q	95.5	Very high	93.6	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-58.1	-46.8	173.2	-70.8	171	-33.3	0	0	110.5	C753 N754 A760 A761 V772 L774 F1008 F1069	C753-Q757 PolarHBondContact O-N 3.18Å; N754-Q757 VanDerWaalsContact CA-OE1 3.32Å; N754-Q757 WeakPolarHBondContact O-CA 3.46Å; N754-Q757 VanDerWaalsContact O-CB 3.31Å; N754-Q757 WeakPolarHBondContact O-CB 3.37Å; N754-Q757 PolarHBondContact O-N 3.46Å; Q757-A760 PolarHBondContact O-N 3.27Å; Q757-A761 WeakPolarHBondContact O-CB 3.29Å; Q757-A761 PolarHBondContact O-N 3.47Å; Q757-V772 HydrophobicContact CB-CG2 4.33Å; Q757-V772 HydrophobicContact CG-CB 3.84Å; Q757-V772 HydrophobicContact CG-CG2 3.62Å; Q757-V772 WeakPolarHBondContact CG-O 3.43Å; Q757-V772 PolarHBondContact NE2-O 3.08Å; Q757-L774 HydrophobicContact CB-CD1 4.49Å; Q757-L774 HydrophobicContact CB-CD2 4.09Å; Q757-L774 HydrophobicContact CB-CG 4.42Å; Q757-L774 HydrophobicContact CG-CD2 4.06Å; Q757-L774 HydrophobicContact CG-CG 4.28Å; Q757-F1008 HydrophobicContact CB-CZ 4.29Å; Q757-F1069 HydrophobicContact CB-CE2 4.42Å; Q757-F1069 HydrophobicContact CG-CE2 4.27Å; Q757-F1069 VanDerWaalsContact NE2-CD2 3.32Å; Q757-F1069 PolarHBondContact NE2-O 3.19Å
758	H	96.5	Very high	93.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64.5	-41.4	175.9	-77.1	-88.7	0	0	0	112.9	N754 L756 A761 L762 I961 D965 F1008 H1012	N754-H758 PolarHBondContact O-CD2 3.14Å; N754-H758 VanDerWaalsContact O-CD2 3.31Å; N754-H758 PolarHBondContact O-N 2.84Å; N754-H758 PolarHBondContact OD1-CD2 3.3Å; N754-H758 PolarHBondContact OD1-NE2 3.4Å; L756-H758 VanDerWaalsContact C-N 3.33Å; L756-H758 PolarHBondContact O-N 2.97Å; H758-A761 PolarHBondContact O-N 3.39Å; H758-L762 WeakPolarHBondContact O-CB 3.49Å; H758-L762 VanDerWaalsContact O-CG 3.24Å; H758-L762 WeakPolarHBondContact O-CG 3.27Å; H758-L762 PolarHBondContact O-N 2.96Å; H758-I961 HydrophobicContact CB-CD1 4.27Å; H758-I961 HydrophobicContact CB-CG2 4.05Å; H758-D965 WeakPolarHBondContact NE2-CA 3.46Å; H758-F1008 AromaticContact CE1-CE2 3.87Å; H758-F1008 AromaticContact NE2-CE2 3.89Å; H758-H1012 AromaticContact CE1-NE2 3.53Å; H758-H1012 AromaticContact CG-NE2 3.79Å; H758-H1012 AromaticContact ND1-CE1 3.32Å; H758-H1012 PolarHBondContact ND1-CE1 3.47Å; H758-H1012 VanDerWaalsContact ND1-CE1 3.32Å; H758-H1012 AromaticContact ND1-NE2 3.01Å; H758-H1012 PolarHBondContact ND1-NE2 3.3Å
759	Y	96.2	Very high	93.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64.4	-43	175.8	-81.1	-64.5	0	0	0	112.5	G755 L756 A761 L762 G763 V826 A875 I878 Q879 I961	G755-Y759 WeakPolarHBondContact O-CD2 3.33Å; G755-Y759 PolarHBondContact O-N 3Å; L756-Y759 PolarHBondContact O-N 3.32Å; Y759-A761 VanDerWaalsContact C-N 3.31Å; Y759-A761 PolarHBondContact O-N 2.74Å; Y759-L762 PolarHBondContact O-N 2.97Å; Y759-G763 PolarHBondContact O-N 3.43Å; Y759-V826 HydrophobicContact CD2-CB 4.37Å; Y759-V826 HydrophobicContact CD2-CG1 4.2Å; Y759-V826 HydrophobicContact CE2-CB 4.07Å; Y759-V826 HydrophobicContact CE2-CG1 4.32Å; Y759-A875 HydrophobicContact CD1-CB 4Å; Y759-A875 HydrophobicContact CD2-CB 4.21Å; Y759-A875 HydrophobicContact CG-CB 3.69Å; Y759-I878 HydrophobicContact CD1-CB 4.29Å; Y759-I878 HydrophobicContact CD1-CD1 4.44Å; Y759-I878 HydrophobicContact CD1-CG2 4.24Å; Y759-I878 HydrophobicContact CE1-CB 4.31Å; Y759-I878 HydrophobicContact CE1-CG2 4.01Å; Y759-Q879 HydrophobicContact CE1-CG 3.68Å; Y759-Q879 HydrophobicContact CE2-CG 4.36Å; Y759-Q879 VanDerWaalsContact CZ-CG 3.49Å; Y759-Q879 VanDerWaalsContact OH-CG 3.22Å; Y759-Q879 WeakPolarHBondContact OH-CG 3.32Å; Y759-Q879 PolarHBondContact OH-NE2 3.42Å; Y759-I961 HydrophobicContact CD1-CD1 3.95Å; Y759-I961 HydrophobicContact CD1-CG1 4.42Å; Y759-I961 HydrophobicContact CD2-CD1 4.34Å; Y759-I961 HydrophobicContact CD2-CG1 4.25Å; Y759-I961 HydrophobicContact CE1-CD1 3.72Å; Y759-I961 HydrophobicContact CE1-CG1 3.81Å; Y759-I961 HydrophobicContact CE2-CD1 4.12Å; Y759-I961 HydrophobicContact CE2-CG1 3.61Å; Y759-I961 HydrophobicContact CG-CD1 4.24Å; Y759-I961 WeakPolarHBondContact OH-CG1 3.37Å
760	A	95.8	Very high	93.4	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.008	11%	0.109	C	C	.	.	H	α-helix	trans	-62.3	-41.3	178.3	0	0	0	0	0	111.1	L756 Q757 R764 D765 A769 V772 L774	L756-A760 VanDerWaalsContact O-CB 3.31Å; L756-A760 WeakPolarHBondContact O-CB 3.47Å; L756-A760 PolarHBondContact O-N 3Å; Q757-A760 PolarHBondContact O-N 3.27Å; A760-R764 CarbonylContact O-C 3.52Å; A760-R764 WeakPolarHBondContact O-CA 3.35Å; A760-R764 PolarHBondContact O-N 3.22Å; A760-D765 HydrophobicContact CB-CB 4.48Å; A760-D765 PolarHBondContact O-N 3.42Å; A760-A769 HydrophobicContact CB-CB 4.26Å; A760-V772 HydrophobicContact CB-CG2 4.45Å; A760-L774 HydrophobicContact CB-CD1 3.96Å
761	A	97.5	Very high	93.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-68.4	-43.1	176.5	0	0	0	0	0	113.3	Q757 H758 Y759 R764 L774 F1008 H1012 I1060	Q757-A761 WeakPolarHBondContact O-CB 3.29Å; Q757-A761 PolarHBondContact O-N 3.47Å; H758-A761 PolarHBondContact O-N 3.39Å; Y759-A761 VanDerWaalsContact C-N 3.31Å; Y759-A761 PolarHBondContact O-N 2.74Å; A761-R764 WeakPolarHBondContact O-CD 3.4Å; A761-R764 PolarHBondContact O-N 2.82Å; A761-R764 PolarHBondContact O-NH1 3.26Å; A761-L774 HydrophobicContact CB-CD1 4.37Å; A761-F1008 HydrophobicContact CB-CE1 3.8Å; A761-F1008 HydrophobicContact CB-CZ 3.81Å; A761-H1012 HydrophobicContact CB-CB 4.03Å; A761-H1012 WeakPolarHBondContact CB-ND1 3.38Å; A761-I1060 HydrophobicContact CB-CD1 3.8Å
762	L	97.7	Very high	93.8	Very high	8 Å²	8	16.8 Å²	16.8	4%	0.042	10%	0.098	C	C	.	.	H	α-helix	trans	-62.7	-44.5	176.2	-76.5	172.1	0	0	0	112.2	H758 Y759 R764 I878 F960 I961 L964 I1016 L1017	H758-L762 WeakPolarHBondContact O-CB 3.49Å; H758-L762 VanDerWaalsContact O-CG 3.24Å; H758-L762 WeakPolarHBondContact O-CG 3.27Å; H758-L762 PolarHBondContact O-N 2.96Å; Y759-L762 PolarHBondContact O-N 2.97Å; L762-R764 VanDerWaalsContact C-N 3.35Å; L762-I878 HydrophobicContact CB-CD1 3.88Å; L762-F960 HydrophobicContact CD1-CE1 4.2Å; L762-I961 HydrophobicContact CD1-CD1 3.66Å; L762-L964 HydrophobicContact CD1-CD1 3.76Å; L762-L964 HydrophobicContact CD2-CD1 4.01Å; L762-L964 HydrophobicContact CG-CD1 4.19Å; L762-I1016 HydrophobicContact CD2-CB 3.83Å; L762-I1016 HydrophobicContact CD2-CD1 3.92Å; L762-I1016 HydrophobicContact CD2-CG1 4.47Å; L762-I1016 HydrophobicContact CD2-CG2 3.79Å; L762-L1017 HydrophobicContact CD2-CD2 4.23Å; L762-L1017 HydrophobicContact CD2-CG 4.28Å
763	G	96.6	Very high	94.5	Very high	3 Å²	3	15.7 Å²	15.7	3%	0.031	9%	0.09	C	C	.	.	H	α-helix	trans	-85.6	-2.4	-177.8	0	0	0	0	0	114.4	Y759 D765 K1055 G1056	Y759-G763 PolarHBondContact O-N 3.43Å; G763-D765 PolarHBondContact O-N 3.22Å; G763-K1055 CarbonylContact O-C 3.58Å; G763-K1055 WeakPolarHBondContact O-CA 3.44Å; G763-G1056 PolarHBondContact O-N 2.8Å
764	R	97.2	Very high	94.9	Very high	45 Å²	45	15.4 Å²	15.4	17%	0.17	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	48	42.9	-171.1	-56.8	-57.8	-162.9	-139.8	5.3	112.6	A760 A761 L762 A766 H1012 K1055 G1056 N1057 F1058	A760-R764 CarbonylContact O-C 3.52Å; A760-R764 WeakPolarHBondContact O-CA 3.35Å; A760-R764 PolarHBondContact O-N 3.22Å; A761-R764 WeakPolarHBondContact O-CD 3.4Å; A761-R764 PolarHBondContact O-N 2.82Å; A761-R764 PolarHBondContact O-NH1 3.26Å; L762-R764 VanDerWaalsContact C-N 3.35Å; R764-A766 PolarHBondContact O-N 3.01Å; R764-H1012 VanDerWaalsContact CZ-O 3.28Å; R764-H1012 PolarHBondContact NH1-O 3.05Å; R764-H1012 PolarHBondContact NH2-O 3.45Å; R764-K1055 HydrophobicContact CB-CB 4.28Å; R764-K1055 HydrophobicContact CG-CB 4.14Å; R764-K1055 HydrophobicContact CG-CD 4.38Å; R764-K1055 HydrophobicContact CG-CG 4.44Å; R764-G1056 WeakPolarHBondContact CB-O 3.41Å; R764-G1056 CarbonylContact O-C 3.59Å; R764-G1056 WeakPolarHBondContact O-CA 3.48Å; R764-N1057 PolarHBondContact O-N 3.49Å; R764-N1057 VanDerWaalsContact O-N 3.08Å; R764-F1058 HydrophobicContact CB-CB 4.22Å; R764-F1058 WeakPolarHBondContact CD-O 3.16Å; R764-F1058 VanDerWaalsContact O-CB 3.32Å; R764-F1058 WeakPolarHBondContact O-CB 3.49Å; R764-F1058 PolarHBondContact O-N 3.37Å
765	D	95.7	Very high	95.1	Very high	16 Å²	16	16.4 Å²	16.4	9%	0.086	10%	0.095	C	C	.	.			trans	-85.6	101.1	-176.6	178.7	1	0	0	0	110.9	A760 G763 A767 G768 A769	A760-D765 HydrophobicContact CB-CB 4.48Å; A760-D765 PolarHBondContact O-N 3.42Å; G763-D765 PolarHBondContact O-N 3.22Å; D765-A767 PolarHBondContact OD1-N 3.11Å; D765-G768 PolarHBondContact O-N 2.92Å; D765-G768 PolarHBondContact OD1-N 2.77Å; D765-A769 WeakPolarHBondContact O-CB 3.24Å; D765-A769 PolarHBondContact O-N 2.84Å
766	A	94.9	Very high	95.1	Very high	38 Å²	38	18.6 Å²	18.6	31%	0.314	11%	0.113	S	C	.	.	H	α-helix	trans	-66.4	-39.4	-174.7	0	0	0	0	0	113.3	R764 A769 F770 F1058	R764-A766 PolarHBondContact O-N 3.01Å; A766-A769 PolarHBondContact O-N 3.05Å; A766-F770 PolarHBondContact O-N 3.37Å; A766-F770 VanDerWaalsContact O-N 3.08Å; A766-F1058 HydrophobicContact CB-CB 4.12Å; A766-F1058 HydrophobicContact CB-CD2 4.38Å
767	A	92.1	Very high	95.1	Very high	59 Å²	59	19.9 Å²	19.9	49%	0.488	12%	0.122	S	C	.	.	H	α-helix	trans	-70	-44.5	178.1	0	0	0	0	0	110.8	D765 A769 F770 H771	D765-A767 PolarHBondContact OD1-N 3.11Å; A767-A769 VanDerWaalsContact C-N 3.34Å; A767-A769 PolarHBondContact O-N 3.49Å; A767-F770 PolarHBondContact O-N 3.28Å; A767-H771 PolarHBondContact O-CD2 3.49Å; A767-H771 PolarHBondContact O-N 2.94Å
768	G	92.2	Very high	94.9	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.3	-45	173.7	0	0	0	0	0	112.1	D765 F770 H771 V772 F872	D765-G768 PolarHBondContact O-N 2.92Å; D765-G768 PolarHBondContact OD1-N 2.77Å; G768-F770 PolarHBondContact O-N 3.16Å; G768-H771 PolarHBondContact O-N 3.03Å; G768-V772 VanDerWaalsContact O-CG2 3.29Å; G768-V772 WeakPolarHBondContact O-CG2 3.42Å; G768-V772 PolarHBondContact O-N 3.48Å; G768-F872 VanDerWaalsContact CA-CE1 3.46Å
769	A	94.8	Very high	94.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-58.2	-44.1	178.2	0	0	0	0	0	112.6	A760 D765 A766 A767 V772 N773 L774 F1058	A760-A769 HydrophobicContact CB-CB 4.26Å; D765-A769 WeakPolarHBondContact O-CB 3.24Å; D765-A769 PolarHBondContact O-N 2.84Å; A766-A769 PolarHBondContact O-N 3.05Å; A767-A769 VanDerWaalsContact C-N 3.34Å; A767-A769 PolarHBondContact O-N 3.49Å; A769-V772 PolarHBondContact O-N 3.29Å; A769-N773 PolarHBondContact O-N 3.31Å; A769-L774 HydrophobicContact CB-CB 3.84Å; A769-L774 HydrophobicContact CB-CD1 4.01Å; A769-L774 HydrophobicContact CB-CG 4.44Å; A769-L774 WeakPolarHBondContact O-CB 3.3Å; A769-L774 PolarHBondContact O-N 2.81Å; A769-F1058 HydrophobicContact CB-CD1 4.01Å; A769-F1058 HydrophobicContact CB-CD2 3.69Å; A769-F1058 HydrophobicContact CB-CE1 3.95Å; A769-F1058 HydrophobicContact CB-CE2 3.64Å; A769-F1058 HydrophobicContact CB-CG 3.9Å; A769-F1058 HydrophobicContact CB-CZ 3.77Å
770	F	94.1	Very high	94.7	Very high	85 Å²	85	30.3 Å²	30.3	37%	0.373	18%	0.181	S	C	.	.	H	α-helix	trans	-59.4	-50	175.6	178.8	-99.4	0	0	0	111.6	A766 A767 G768 V772 N773 C775 Q781	A766-F770 PolarHBondContact O-N 3.37Å; A766-F770 VanDerWaalsContact O-N 3.08Å; A767-F770 PolarHBondContact O-N 3.28Å; G768-F770 PolarHBondContact O-N 3.16Å; F770-V772 PolarHBondContact O-N 3.3Å; F770-V772 VanDerWaalsContact O-N 3.08Å; F770-N773 PolarHBondContact O-N 3.27Å; F770-C775 HydrophobicContact CD2-CB 4.17Å; F770-Q781 HydrophobicContact CD1-CG 4.41Å; F770-Q781 HydrophobicContact CE1-CG 4.06Å; F770-Q781 HydrophobicContact CE2-CG 4.32Å; F770-Q781 VanDerWaalsContact CZ-CD 3.46Å; F770-Q781 HydrophobicContact CZ-CG 4.01Å; F770-Q781 WeakPolarHBondContact O-CB 3.29Å; F770-Q781 VanDerWaalsContact O-CG 3.31Å; F770-Q781 WeakPolarHBondContact O-CG 3.46Å
771	H	92.6	Very high	94.5	Very high	57 Å²	57	32.6 Å²	32.6	26%	0.264	19%	0.191	S	C	.	.	H	α-helix	trans	-63	-19.4	-177.4	-74.8	-54	0	0	0	114.8	A767 G768 V783 F872	A767-H771 PolarHBondContact O-CD2 3.49Å; A767-H771 PolarHBondContact O-N 2.94Å; G768-H771 PolarHBondContact O-N 3.03Å; H771-V783 WeakPolarHBondContact O-CB 3.4Å; H771-V783 PolarHBondContact O-N 2.97Å; H771-F872 HydrophobicContact CB-CZ 4.29Å
772	V	94	Very high	94.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	22.1	-177.7	-55.6	0	0	0	0	113.1	C753 L756 Q757 A760 G768 A769 F770 L774 V783 F872	C753-V772 HydrophobicContact CB-CG1 4.36Å; L756-V772 HydrophobicContact CB-CG1 3.73Å; L756-V772 HydrophobicContact CD1-CG1 4.08Å; Q757-V772 HydrophobicContact CB-CG2 4.33Å; Q757-V772 HydrophobicContact CG-CB 3.84Å; Q757-V772 HydrophobicContact CG-CG2 3.62Å; Q757-V772 WeakPolarHBondContact CG-O 3.43Å; Q757-V772 PolarHBondContact NE2-O 3.08Å; A760-V772 HydrophobicContact CB-CG2 4.45Å; G768-V772 VanDerWaalsContact O-CG2 3.29Å; G768-V772 WeakPolarHBondContact O-CG2 3.42Å; G768-V772 PolarHBondContact O-N 3.48Å; A769-V772 PolarHBondContact O-N 3.29Å; F770-V772 PolarHBondContact O-N 3.3Å; F770-V772 VanDerWaalsContact O-N 3.08Å; V772-L774 VanDerWaalsContact C-N 3.34Å; V772-L774 HydrophobicContact CG2-CD1 4.38Å; V772-L774 HydrophobicContact CG2-CG 4.1Å; V772-L774 PolarHBondContact O-N 3.32Å; V772-V783 HydrophobicContact CG1-CB 4.24Å; V772-V783 HydrophobicContact CG1-CG2 4.29Å; V772-F872 HydrophobicContact CG1-CE1 4.16Å; V772-F872 HydrophobicContact CG1-CZ 4.19Å
773	N	95.8	Very high	94	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.011	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	38.3	175.5	-60.3	-55.1	0	0	0	113.8	S752 A769 F770 Q781 S1066 Y1068 F1069	S752-N773 PolarHBondContact OG-ND2 2.92Å; A769-N773 PolarHBondContact O-N 3.31Å; F770-N773 PolarHBondContact O-N 3.27Å; N773-Q781 PolarHBondContact ND2-O 3.31Å; N773-Q781 WeakPolarHBondContact OD1-CA 3.17Å; N773-Q781 VanDerWaalsContact OD1-CB 3.28Å; N773-Q781 WeakPolarHBondContact OD1-CB 3.4Å; N773-Q781 PolarHBondContact OD1-N 2.96Å; N773-S1066 PolarHBondContact O-OG 2.97Å; N773-Y1068 WeakPolarHBondContact CB-O 3.45Å; N773-F1069 WeakPolarHBondContact O-CA 3.21Å
774	L	96.5	Very high	93.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.198	C	C	.	.			trans	-85.6	-19.5	164.6	-67.9	-176.5	0	0	0	112.1	Q757 A760 A761 A769 V772 F1008 F1058 V1063 F1069	Q757-L774 HydrophobicContact CB-CD1 4.49Å; Q757-L774 HydrophobicContact CB-CD2 4.09Å; Q757-L774 HydrophobicContact CB-CG 4.42Å; Q757-L774 HydrophobicContact CG-CD2 4.06Å; Q757-L774 HydrophobicContact CG-CG 4.28Å; A760-L774 HydrophobicContact CB-CD1 3.96Å; A761-L774 HydrophobicContact CB-CD1 4.37Å; A769-L774 HydrophobicContact CB-CB 3.84Å; A769-L774 HydrophobicContact CB-CD1 4.01Å; A769-L774 HydrophobicContact CB-CG 4.44Å; A769-L774 WeakPolarHBondContact O-CB 3.3Å; A769-L774 PolarHBondContact O-N 2.81Å; V772-L774 VanDerWaalsContact C-N 3.34Å; V772-L774 HydrophobicContact CG2-CD1 4.38Å; V772-L774 HydrophobicContact CG2-CG 4.1Å; V772-L774 PolarHBondContact O-N 3.32Å; L774-F1008 HydrophobicContact CD1-CE1 4.39Å; L774-F1008 HydrophobicContact CD2-CD1 4.45Å; L774-F1008 HydrophobicContact CD2-CE1 3.7Å; L774-F1008 HydrophobicContact CD2-CZ 3.97Å; L774-F1058 HydrophobicContact CB-CE1 4.21Å; L774-F1058 HydrophobicContact CB-CZ 3.82Å; L774-F1058 HydrophobicContact CD1-CE1 4.21Å; L774-V1063 HydrophobicContact CB-CG2 3.98Å; L774-V1063 HydrophobicContact CD2-CG1 4.4Å; L774-V1063 HydrophobicContact CD2-CG2 3.87Å; L774-V1063 HydrophobicContact CG-CG2 4.38Å; L774-V1063 VanDerWaalsContact O-CA 3.31Å; L774-V1063 WeakPolarHBondContact O-CA 3.5Å; L774-V1063 PolarHBondContact O-N 3.3Å; L774-F1069 HydrophobicContact CD2-CD2 3.57Å; L774-F1069 HydrophobicContact CD2-CE2 3.47Å; L774-F1069 VanDerWaalsContact CD2-CE2 3.47Å; L774-F1069 HydrophobicContact CD2-CZ 4.4Å
775	C	94.9	Very high	93.5	Very high	25 Å²	25	32.8 Å²	32.8	17%	0.169	20%	0.196	C	C	.	.	S	Bend	trans	-91.9	156.1	174.7	-53.6	0	0	0	0	111	F770 S1066	F770-C775 HydrophobicContact CD2-CB 4.17Å; C775-S1066 WeakPolarHBondContact O-CB 3.23Å; C775-S1066 PolarHBondContact O-OG 2.83Å
776	A	92.8	Very high	93.2	Very high	48 Å²	48	33.3 Å²	33.3	40%	0.397	21%	0.205	S	C	.	.			trans	-67.2	141.5	167.6	0	0	0	0	0	110.9	R1065	A776-R1065 HydrophobicContact CB-CB 4.06Å; A776-R1065 WeakPolarHBondContact CB-O 3.33Å
777	S	93.7	Very high	93.1	Very high	30 Å²	30	31.5 Å²	31.5	21%	0.21	19%	0.19	C	C	.	.			trans	-161.9	147.5	179.8	176.4	0	0	0	0	109	T779 Q781 Y1068	S777-T779 VanDerWaalsContact C-N 3.27Å; S777-T779 VanDerWaalsContact CB-O 3.32Å; S777-T779 WeakPolarHBondContact CB-O 3.37Å; S777-T779 PolarHBondContact O-N 2.96Å; S777-T779 PolarHBondContact OG-N 3.41Å; S777-T779 PolarHBondContact OG-O 3.26Å; S777-Q781 PolarHBondContact OG-NE2 3.46Å; S777-Q781 VanDerWaalsContact OG-NE2 3.13Å; S777-Y1068 WeakPolarHBondContact O-CD2 3.36Å; S777-Y1068 VanDerWaalsContact O-CE2 3.3Å; S777-Y1068 WeakPolarHBondContact O-CE2 3.47Å
778	D	91.2	Very high	93.2	Very high	149 Å²	149	29 Å²	29	80%	0.797	17%	0.169	S	C	*	.	S	Bend	trans	-72	-24.1	178.4	-64.4	-30	0	0	0	112.7	Y1068	D778-Y1068 PolarHBondContact O-OH 3.01Å
779	T	94.3	Very high	93.3	Very high	60 Å²	60	32.4 Å²	32.4	37%	0.368	19%	0.193	S	C	.	.	S	Bend	trans	-129.2	151.9	175.5	56.5	0	0	0	0	111	S777	S777-T779 VanDerWaalsContact C-N 3.27Å; S777-T779 VanDerWaalsContact CB-O 3.32Å; S777-T779 WeakPolarHBondContact CB-O 3.37Å; S777-T779 PolarHBondContact O-N 2.96Å; S777-T779 PolarHBondContact OG-N 3.41Å; S777-T779 PolarHBondContact OG-O 3.26Å
780	P	93.6	Very high	93.2	Very high	11 Å²	11	34 Å²	34	7%	0.071	20%	0.201	C	C	.	.			trans	-69.7	133.1	178.3	27.3	-34.2	0	0	0	111.5	K680 E682 Y1068	K680-P780 WeakPolarHBondContact O-CG 3.49Å; E682-P780 WeakPolarHBondContact O-CD 3.27Å; P780-Y1068 HydrophobicContact CB-CD1 3.75Å; P780-Y1068 HydrophobicContact CB-CD2 4.28Å; P780-Y1068 HydrophobicContact CB-CE1 4.34Å; P780-Y1068 HydrophobicContact CB-CG 3.73Å; P780-Y1068 HydrophobicContact CG-CD1 4.16Å; P780-Y1068 HydrophobicContact CG-CE1 4.27Å; P780-Y1068 HydrophobicContact CG-CG 4.48Å
781	Q	93.4	Very high	93.3	Very high	48 Å²	48	29.9 Å²	29.9	22%	0.224	18%	0.183	C	C	.	.			trans	-76.2	144	171.3	-55.8	-56.4	-40.7	0	0	110.7	F770 N773 S777	F770-Q781 HydrophobicContact CD1-CG 4.41Å; F770-Q781 HydrophobicContact CE1-CG 4.06Å; F770-Q781 HydrophobicContact CE2-CG 4.32Å; F770-Q781 VanDerWaalsContact CZ-CD 3.46Å; F770-Q781 HydrophobicContact CZ-CG 4.01Å; F770-Q781 WeakPolarHBondContact O-CB 3.29Å; F770-Q781 VanDerWaalsContact O-CG 3.31Å; F770-Q781 WeakPolarHBondContact O-CG 3.46Å; N773-Q781 PolarHBondContact ND2-O 3.31Å; N773-Q781 WeakPolarHBondContact OD1-CA 3.17Å; N773-Q781 VanDerWaalsContact OD1-CB 3.28Å; N773-Q781 WeakPolarHBondContact OD1-CB 3.4Å; N773-Q781 PolarHBondContact OD1-N 2.96Å; S777-Q781 PolarHBondContact OG-NE2 3.46Å; S777-Q781 VanDerWaalsContact OG-NE2 3.13Å
782	D	91.6	Very high	93.5	Very high	28 Å²	28	29.8 Å²	29.8	15%	0.15	18%	0.183	C	C	.	.			trans	-124.4	83.6	-175.7	-176.7	19.7	0	0	0	110.7	R681 Y784 S785 G786 R815	R681-D782 IonicContact CZ-OD2 3.15Å; R681-D782 IonicContact NE-OD2 2.92Å; R681-D782 PolarHBondContact NE-OD2 3.36Å; R681-D782 VanDerWaalsContact NE-OD2 3.17Å; R681-D782 IonicContact NH2-OD2 3.86Å; D782-Y784 PolarHBondContact O-N 3.17Å; D782-Y784 WeakPolarHBondContact OD1-CD2 3.3Å; D782-S785 PolarHBondContact O-N 3.34Å; D782-S785 VanDerWaalsContact OD2-CB 3.27Å; D782-S785 WeakPolarHBondContact OD2-CB 3.31Å; D782-S785 PolarHBondContact OD2-OG 3.25Å; D782-G786 PolarHBondContact O-N 2.84Å; D782-R815 VanDerWaalsContact CG-NE 3.33Å; D782-R815 IonicContact OD1-CZ 3.44Å; D782-R815 IonicContact OD1-NE 2.58Å; D782-R815 PolarHBondContact OD1-NE 3.42Å; D782-R815 IonicContact OD1-NH2 3.29Å; D782-R815 PolarHBondContact OD1-NH2 3Å; D782-R815 WeakPolarHBondContact OD2-CD 3.27Å; D782-R815 IonicContact OD2-CZ 3.2Å; D782-R815 IonicContact OD2-NE 3.78Å; D782-R815 PolarHBondContact OD2-NE 2.98Å; D782-R815 IonicContact OD2-NH2 2.6Å
783	V	91.4	Very high	93.5	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.018	21%	0.208	C	C	.	.	H	α-helix	trans	-47.3	-38.4	179.2	64.2	0	0	0	0	113.1	C753 L756 H771 V772 S785 G786 V787 F872	C753-V783 HydrophobicContact CB-CG1 4.02Å; L756-V783 HydrophobicContact CD1-CG2 3.89Å; H771-V783 WeakPolarHBondContact O-CB 3.4Å; H771-V783 PolarHBondContact O-N 2.97Å; V772-V783 HydrophobicContact CG1-CB 4.24Å; V772-V783 HydrophobicContact CG1-CG2 4.29Å; V783-S785 VanDerWaalsContact C-N 3.33Å; V783-S785 PolarHBondContact O-N 3.24Å; V783-G786 PolarHBondContact O-N 3.27Å; V783-V787 HydrophobicContact CG2-CG2 4.34Å; V783-V787 VanDerWaalsContact O-CG2 3.31Å; V783-V787 WeakPolarHBondContact O-CG2 3.3Å; V783-V787 PolarHBondContact O-N 3.32Å; V783-F872 HydrophobicContact CG2-CE2 3.91Å; V783-F872 HydrophobicContact CG2-CZ 3.66Å
784	Y	92.4	Very high	93.5	Very high	13 Å²	13	36.3 Å²	36.3	5%	0.051	22%	0.216	C	C	.	.	H	α-helix	trans	-66.2	-36.9	-177.7	-50	-68.4	0	0	0	112.2	S752 D782 A788 R815 K819 V822 M823	S752-Y784 PolarHBondContact O-OH 2.83Å; D782-Y784 PolarHBondContact O-N 3.17Å; D782-Y784 WeakPolarHBondContact OD1-CD2 3.3Å; Y784-A788 WeakPolarHBondContact O-CB 3.46Å; Y784-A788 PolarHBondContact O-N 3.26Å; Y784-R815 VanDerWaalsContact CD2-NH2 3.28Å; Y784-K819 HydrophobicContact CD1-CB 4.32Å; Y784-K819 HydrophobicContact CD1-CG 3.95Å; Y784-K819 HydrophobicContact CD2-CG 4.42Å; Y784-K819 HydrophobicContact CE1-CG 4.22Å; Y784-K819 HydrophobicContact CG-CB 4.44Å; Y784-K819 HydrophobicContact CG-CG 4.06Å; Y784-V822 HydrophobicContact CD1-CB 3.9Å; Y784-V822 HydrophobicContact CD1-CG1 3.71Å; Y784-V822 HydrophobicContact CE1-CB 4.21Å; Y784-V822 HydrophobicContact CE1-CG1 3.85Å; Y784-M823 HydrophobicContact CD1-CG 4.46Å; Y784-M823 HydrophobicContact CE1-CG 3.4Å; Y784-M823 VanDerWaalsContact CE1-CG 3.4Å; Y784-M823 HydrophobicContact CE1-SD 4.41Å; Y784-M823 WeakPolarHBondContact OH-CG 3.41Å
785	S	90.9	Very high	93.4	Very high	17 Å²	17	37.5 Å²	37.5	12%	0.119	22%	0.22	C	C	.	.	H	α-helix	trans	-75.6	-39.9	176.1	-64.2	0	0	0	0	111.5	R681 D782 V783 V787 A788 S789 R815	R681-S785 PolarHBondContact NH2-OG 2.87Å; D782-S785 PolarHBondContact O-N 3.34Å; D782-S785 VanDerWaalsContact OD2-CB 3.27Å; D782-S785 WeakPolarHBondContact OD2-CB 3.31Å; D782-S785 PolarHBondContact OD2-OG 3.25Å; V783-S785 VanDerWaalsContact C-N 3.33Å; V783-S785 PolarHBondContact O-N 3.24Å; S785-V787 VanDerWaalsContact C-N 3.31Å; S785-V787 PolarHBondContact O-N 3.07Å; S785-A788 PolarHBondContact O-N 2.66Å; S785-A788 VanDerWaalsContact O-N 3.16Å; S785-S789 WeakPolarHBondContact O-CB 3.41Å; S785-S789 PolarHBondContact O-N 2.84Å; S785-S789 PolarHBondContact O-OG 2.94Å; S785-R815 VanDerWaalsContact OG-CD 3.3Å; S785-R815 WeakPolarHBondContact OG-CD 3.46Å
786	G	91	Very high	93.4	Very high	27 Å²	27	38 Å²	38	28%	0.278	23%	0.226	S	C	.	.	H	α-helix	trans	-56.3	-45.8	172.6	0	0	0	0	0	112.1	D782 V783 S789 L790	D782-G786 PolarHBondContact O-N 2.84Å; V783-G786 PolarHBondContact O-N 3.27Å; G786-S789 PolarHBondContact O-N 3.42Å; G786-L790 PolarHBondContact O-N 3.14Å
787	V	92.7	Very high	93.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.8	-44	174.9	172.8	0	0	0	0	111.6	V783 S785 S789 L790 I791 V822 L868 M871	V783-V787 HydrophobicContact CG2-CG2 4.34Å; V783-V787 VanDerWaalsContact O-CG2 3.31Å; V783-V787 WeakPolarHBondContact O-CG2 3.3Å; V783-V787 PolarHBondContact O-N 3.32Å; S785-V787 VanDerWaalsContact C-N 3.31Å; S785-V787 PolarHBondContact O-N 3.07Å; V787-S789 PolarHBondContact O-N 3.23Å; V787-L790 PolarHBondContact O-N 2.95Å; V787-I791 HydrophobicContact CG1-CD1 3.69Å; V787-I791 HydrophobicContact CG1-CG1 4.34Å; V787-I791 WeakPolarHBondContact O-CD1 3.46Å; V787-I791 VanDerWaalsContact O-CG1 3.24Å; V787-I791 WeakPolarHBondContact O-CG1 3.38Å; V787-I791 PolarHBondContact O-N 3.11Å; V787-V822 HydrophobicContact CB-CG2 4.18Å; V787-V822 HydrophobicContact CG1-CG2 3.73Å; V787-V822 HydrophobicContact CG2-CG2 4.32Å; V787-L868 HydrophobicContact CG2-CD2 3.87Å; V787-M871 HydrophobicContact CB-SD 4.49Å; V787-M871 HydrophobicContact CG2-CE 4.28Å; V787-M871 HydrophobicContact CG2-SD 3.63Å
788	A	94	Very high	93.6	Very high	7 Å²	7	42.5 Å²	42.5	6%	0.058	24%	0.237	C	C	.	.	H	α-helix	trans	-60.6	-44.1	177.9	0	0	0	0	0	112	Y784 S785 I791 E792 V818	Y784-A788 WeakPolarHBondContact O-CB 3.46Å; Y784-A788 PolarHBondContact O-N 3.26Å; S785-A788 PolarHBondContact O-N 2.66Å; S785-A788 VanDerWaalsContact O-N 3.16Å; A788-I791 PolarHBondContact O-N 3.35Å; A788-E792 WeakPolarHBondContact O-CB 3.5Å; A788-E792 PolarHBondContact O-N 2.97Å; A788-V818 HydrophobicContact CB-CG2 3.88Å
789	S	93.9	Very high	93.7	Very high	70 Å²	70	36.1 Å²	36.1	49%	0.49	21%	0.205	S	C	.	.	H	α-helix	trans	-61.7	-42.2	175.5	-65	0	0	0	0	112.1	S785 G786 V787 I791 E792 N793	S785-S789 WeakPolarHBondContact O-CB 3.41Å; S785-S789 PolarHBondContact O-N 2.84Å; S785-S789 PolarHBondContact O-OG 2.94Å; G786-S789 PolarHBondContact O-N 3.42Å; V787-S789 PolarHBondContact O-N 3.23Å; S789-I791 PolarHBondContact O-N 3.05Å; S789-E792 PolarHBondContact O-N 3.17Å; S789-N793 VanDerWaalsContact O-CG 3.29Å; S789-N793 PolarHBondContact O-N 3.13Å
790	L	93.8	Very high	93.6	Very high	33 Å²	33	41.1 Å²	41.1	17%	0.173	22%	0.222	C	C	.	.	H	α-helix	trans	-65.2	-39.4	176.4	-175.3	59.2	0	0	0	112.1	G786 V787 E792 N793 K794 S867 M871	G786-L790 PolarHBondContact O-N 3.14Å; V787-L790 PolarHBondContact O-N 2.95Å; L790-E792 VanDerWaalsContact C-N 3.34Å; L790-N793 PolarHBondContact O-N 2.81Å; L790-K794 WeakPolarHBondContact O-CG 3.23Å; L790-K794 PolarHBondContact O-N 3Å; L790-K794 VanDerWaalsContact O-N 3.11Å; L790-S867 WeakPolarHBondContact CG-OG 3.29Å; L790-M871 HydrophobicContact CD2-CG 3.86Å; L790-M871 HydrophobicContact CD2-SD 4.01Å
791	I	95.3	Very high	93.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.4	-41.3	174	-66.6	163.2	0	0	0	110.6	V787 A788 S789 K794 R795 V813 V818 L860 K863 T864	V787-I791 HydrophobicContact CG1-CD1 3.69Å; V787-I791 HydrophobicContact CG1-CG1 4.34Å; V787-I791 WeakPolarHBondContact O-CD1 3.46Å; V787-I791 VanDerWaalsContact O-CG1 3.24Å; V787-I791 WeakPolarHBondContact O-CG1 3.38Å; V787-I791 PolarHBondContact O-N 3.11Å; A788-I791 PolarHBondContact O-N 3.35Å; S789-I791 PolarHBondContact O-N 3.05Å; I791-K794 PolarHBondContact O-N 2.91Å; I791-R795 WeakPolarHBondContact O-CB 3.29Å; I791-R795 PolarHBondContact O-N 3.49Å; I791-V813 HydrophobicContact CB-CG1 4.1Å; I791-V813 HydrophobicContact CG2-CG1 3.76Å; I791-V818 HydrophobicContact CD1-CB 4.42Å; I791-V818 HydrophobicContact CD1-CG1 3.83Å; I791-L860 HydrophobicContact CG2-CD2 3.85Å; I791-K863 HydrophobicContact CG1-CB 4.3Å; I791-K863 HydrophobicContact CG2-CB 3.95Å; I791-T864 HydrophobicContact CD1-CG2 4.46Å; I791-T864 WeakPolarHBondContact CD1-OG1 3.29Å
792	E	95.7	Very high	92.7	Very high	54 Å²	54	49.1 Å²	49.1	25%	0.252	27%	0.271	S	S	.	.	H	α-helix	trans	-64.4	-40.8	178.9	-179.4	56.1	-162	0	0	111.7	A788 S789 L790 R795 A796 V813	A788-E792 WeakPolarHBondContact O-CB 3.5Å; A788-E792 PolarHBondContact O-N 2.97Å; S789-E792 PolarHBondContact O-N 3.17Å; L790-E792 VanDerWaalsContact C-N 3.34Å; E792-R795 VanDerWaalsContact CD-NE 3.31Å; E792-R795 PolarHBondContact O-N 2.89Å; E792-R795 IonicContact OE1-CZ 3.58Å; E792-R795 VanDerWaalsContact OE1-CZ 3.3Å; E792-R795 IonicContact OE1-NE 2.78Å; E792-R795 PolarHBondContact OE1-NE 3.36Å; E792-R795 VanDerWaalsContact OE1-NE 3.14Å; E792-R795 IonicContact OE1-NH2 2.74Å; E792-R795 PolarHBondContact OE1-NH2 3.4Å; E792-R795 WeakPolarHBondContact OE2-CD 3.48Å; E792-R795 IonicContact OE2-CZ 3.57Å; E792-R795 IonicContact OE2-NE 3.76Å; E792-R795 PolarHBondContact OE2-NE 3.32Å; E792-R795 IonicContact OE2-NH2 3.61Å; E792-A796 WeakPolarHBondContact O-CB 3.38Å; E792-A796 PolarHBondContact O-N 2.93Å; E792-V813 HydrophobicContact CB-CB 4.35Å; E792-V813 HydrophobicContact CB-CG1 4.16Å; E792-V813 VanDerWaalsContact OE2-CB 3.26Å; E792-V813 WeakPolarHBondContact OE2-CB 3.38Å; E792-V813 WeakPolarHBondContact OE2-CG2 3.47Å
793	N	95	Very high	92.6	Very high	99 Å²	99	49.3 Å²	49.3	53%	0.529	28%	0.275	S	S	.	.	H	α-helix	trans	-60.5	-49.7	173.5	-69.2	-14.1	0	0	0	111.5	S789 L790 R795 A796 E797	S789-N793 VanDerWaalsContact O-CG 3.29Å; S789-N793 PolarHBondContact O-N 3.13Å; L790-N793 PolarHBondContact O-N 2.81Å; N793-R795 VanDerWaalsContact C-N 3.27Å; N793-R795 PolarHBondContact O-N 3.4Å; N793-A796 PolarHBondContact O-N 2.97Å; N793-E797 PolarHBondContact O-N 3.36Å
794	K	94.9	Very high	92.5	Very high	40 Å²	40	57.4 Å²	57.4	17%	0.174	31%	0.31	C	S	.	.	H	α-helix	trans	-60.6	-37	176	-69.5	177.7	-171.4	-72.4	0	111.9	L790 I791 E797 D798 K863	L790-K794 WeakPolarHBondContact O-CG 3.23Å; L790-K794 PolarHBondContact O-N 3Å; L790-K794 VanDerWaalsContact O-N 3.11Å; I791-K794 PolarHBondContact O-N 2.91Å; K794-E797 PolarHBondContact O-N 3.46Å; K794-D798 WeakPolarHBondContact O-CB 3.39Å; K794-D798 PolarHBondContact O-N 2.81Å; K794-K863 HydrophobicContact CB-CD 4.19Å; K794-K863 HydrophobicContact CD-CD 4.26Å
795	R	95.8	Very high	92.6	Very high	25 Å²	25	57.9 Å²	57.9	9%	0.094	31%	0.314	C	S	.	.	H	α-helix	trans	-66.1	-43.4	174.6	-174.4	-144	60.6	70.5	4.9	112.1	I791 E792 N793 E797 D798 A799 A806 L809 Y859	I791-R795 WeakPolarHBondContact O-CB 3.29Å; I791-R795 PolarHBondContact O-N 3.49Å; E792-R795 VanDerWaalsContact CD-NE 3.31Å; E792-R795 PolarHBondContact O-N 2.89Å; E792-R795 IonicContact OE1-CZ 3.58Å; E792-R795 VanDerWaalsContact OE1-CZ 3.3Å; E792-R795 IonicContact OE1-NE 2.78Å; E792-R795 PolarHBondContact OE1-NE 3.36Å; E792-R795 VanDerWaalsContact OE1-NE 3.14Å; E792-R795 IonicContact OE1-NH2 2.74Å; E792-R795 PolarHBondContact OE1-NH2 3.4Å; E792-R795 WeakPolarHBondContact OE2-CD 3.48Å; E792-R795 IonicContact OE2-CZ 3.57Å; E792-R795 IonicContact OE2-NE 3.76Å; E792-R795 PolarHBondContact OE2-NE 3.32Å; E792-R795 IonicContact OE2-NH2 3.61Å; N793-R795 VanDerWaalsContact C-N 3.27Å; N793-R795 PolarHBondContact O-N 3.4Å; R795-E797 VanDerWaalsContact C-N 3.31Å; R795-E797 PolarHBondContact O-N 3.13Å; R795-D798 PolarHBondContact O-N 3Å; R795-A799 VanDerWaalsContact O-CB 3.22Å; R795-A799 WeakPolarHBondContact O-CB 3.41Å; R795-A799 PolarHBondContact O-N 3.14Å; R795-A806 WeakPolarHBondContact CD-O 3.31Å; R795-A806 HydrophobicContact CG-CB 3.95Å; R795-A806 WeakPolarHBondContact CG-O 3.24Å; R795-A806 PolarHBondContact NH1-O 2.8Å; R795-L809 HydrophobicContact CG-CB 4.36Å; R795-Y859 WeakPolarHBondContact CA-OH 3.18Å; R795-Y859 HydrophobicContact CB-CE1 4.15Å; R795-Y859 HydrophobicContact CG-CE1 4.03Å
796	A	94.9	Very high	92.7	Very high	36 Å²	36	57 Å²	57	30%	0.298	31%	0.309	S	S	.	.	H	α-helix	trans	-62.2	-39.4	176.4	0	0	0	0	0	111.7	E792 N793 K800	E792-A796 WeakPolarHBondContact O-CB 3.38Å; E792-A796 PolarHBondContact O-N 2.93Å; N793-A796 PolarHBondContact O-N 2.97Å; A796-K800 WeakPolarHBondContact O-CG 3.4Å; A796-K800 PolarHBondContact O-N 3.09Å
797	E	94.4	Very high	92.7	Very high	124 Å²	124	62.2 Å²	62.2	58%	0.579	32%	0.32	S	S	*	.	H	α-helix	trans	-65.7	-50.9	173.4	-74	176.2	156.9	0	0	112.5	N793 K794 R795 A799 K800 G801	N793-E797 PolarHBondContact O-N 3.36Å; K794-E797 PolarHBondContact O-N 3.46Å; R795-E797 VanDerWaalsContact C-N 3.31Å; R795-E797 PolarHBondContact O-N 3.13Å; E797-A799 PolarHBondContact O-N 3.32Å; E797-K800 WeakPolarHBondContact O-CA 3.39Å; E797-K800 VanDerWaalsContact O-CB 3.32Å; E797-K800 WeakPolarHBondContact O-CB 3.35Å; E797-K800 PolarHBondContact O-N 3.27Å; E797-G801 PolarHBondContact O-N 3.03Å; E797-G801 VanDerWaalsContact O-N 3.14Å
798	D	95.3	Very high	92.7	Very high	49 Å²	49	66.8 Å²	66.8	26%	0.262	34%	0.337	S	S	.	.	H	α-helix	trans	-60.5	-33.2	178.3	-77.8	11.9	0	0	0	111.9	K794 R795 K800 G801 S803 A806 Y859 K863	K794-D798 WeakPolarHBondContact O-CB 3.39Å; K794-D798 PolarHBondContact O-N 2.81Å; R795-D798 PolarHBondContact O-N 3Å; D798-K800 VanDerWaalsContact C-N 3.3Å; D798-K800 PolarHBondContact O-N 3.07Å; D798-G801 CarbonylContact O-C 3.2Å; D798-G801 PolarHBondContact O-N 3.49Å; D798-S803 WeakPolarHBondContact O-CB 3.05Å; D798-S803 PolarHBondContact O-N 3.29Å; D798-A806 HydrophobicContact CB-CB 3.84Å; D798-Y859 HydrophobicContact CB-CE2 4.48Å; D798-Y859 WeakPolarHBondContact OD2-CE2 3.49Å; D798-Y859 PolarHBondContact OD2-OH 2.9Å; D798-Y859 VanDerWaalsContact OD2-OH 3.13Å; D798-K863 IonicContact OD1-NZ 2.58Å; D798-K863 PolarHBondContact OD1-NZ 3.26Å; D798-K863 WeakPolarHBondContact OD2-CE 3.48Å; D798-K863 IonicContact OD2-NZ 3.84Å; D798-K863 PolarHBondContact OD2-NZ 3.4Å
799	A	93	Very high	92.7	Very high	15 Å²	15	66.4 Å²	66.4	12%	0.124	33%	0.334	C	S	.	.	H	α-helix	trans	-65	-32.4	175.7	0	0	0	0	0	112.5	R795 E797 A806 R807	R795-A799 VanDerWaalsContact O-CB 3.22Å; R795-A799 WeakPolarHBondContact O-CB 3.41Å; R795-A799 PolarHBondContact O-N 3.14Å; E797-A799 PolarHBondContact O-N 3.32Å; A799-A806 HydrophobicContact CB-CB 4.07Å; A799-R807 HydrophobicContact CB-CG 3.78Å; A799-R807 PolarHBondContact O-NE 3.07Å; A799-R807 PolarHBondContact O-NH2 3.08Å
800	K	93	Very high	92.4	Very high	165 Å²	165	64.7 Å²	64.7	72%	0.717	33%	0.327	S	S	*	.	H	α-helix	trans	-68.4	-42.4	170.9	-63.6	170.6	-176.1	178.2	0	110.4	A796 E797 D798 F802	A796-K800 WeakPolarHBondContact O-CG 3.4Å; A796-K800 PolarHBondContact O-N 3.09Å; E797-K800 WeakPolarHBondContact O-CA 3.39Å; E797-K800 VanDerWaalsContact O-CB 3.32Å; E797-K800 WeakPolarHBondContact O-CB 3.35Å; E797-K800 PolarHBondContact O-N 3.27Å; D798-K800 VanDerWaalsContact C-N 3.3Å; D798-K800 PolarHBondContact O-N 3.07Å; K800-F802 PolarHBondContact O-N 3.39Å
801	G	86.7	Confident	92.2	Very high	58 Å²	58	66 Å²	66	60%	0.598	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	26.3	176.2	0	0	0	0	0	116.2	E797 D798 S803	E797-G801 PolarHBondContact O-N 3.03Å; E797-G801 VanDerWaalsContact O-N 3.14Å; D798-G801 CarbonylContact O-C 3.2Å; D798-G801 PolarHBondContact O-N 3.49Å; G801-S803 VanDerWaalsContact C-N 3.3Å; G801-S803 PolarHBondContact O-N 3.21Å
802	F	82.1	Confident	92	Very high	168 Å²	168	68 Å²	68	74%	0.737	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	16.3	178.4	-53.9	-86.1	0	0	0	116.8	K800 K804	K800-F802 PolarHBondContact O-N 3.39Å; F802-K804 PolarHBondContact O-N 3.17Å
803	S	89	Confident	91.8	Very high	32 Å²	32	66.3 Å²	66.3	22%	0.224	35%	0.351	C	S	.	.			trans	-67.4	108.1	171.7	178.6	0	0	0	0	111.3	D798 G801 V805 A806 R807	D798-S803 WeakPolarHBondContact O-CB 3.05Å; D798-S803 PolarHBondContact O-N 3.29Å; G801-S803 VanDerWaalsContact C-N 3.3Å; G801-S803 PolarHBondContact O-N 3.21Å; S803-V805 VanDerWaalsContact C-N 3.32Å; S803-V805 PolarHBondContact O-N 3.23Å; S803-V805 WeakPolarHBondContact OG-CG1 3.48Å; S803-A806 PolarHBondContact O-N 3.37Å; S803-A806 WeakPolarHBondContact OG-CB 3.24Å; S803-A806 PolarHBondContact OG-N 3Å; S803-R807 PolarHBondContact O-N 3.04Å; S803-R807 VanDerWaalsContact O-N 3.17Å
804	K	90.1	Very high	91.6	Very high	173 Å²	173	65.8 Å²	65.8	75%	0.752	35%	0.345	S	S	*	.	H	α-helix	trans	-60.3	-40.9	-178.7	-150.9	177.7	-171.6	178.9	0	111.9	F802 R808	F802-K804 PolarHBondContact O-N 3.17Å; K804-R808 WeakPolarHBondContact O-CG 3.49Å; K804-R808 PolarHBondContact O-N 3.34Å
805	V	92.9	Very high	91.4	Very high	23 Å²	23	66.9 Å²	66.9	14%	0.139	35%	0.348	C	S	.	.	H	α-helix	trans	-67.2	-40.6	177.4	64.5	0	0	0	0	111.7	S803 R807 R808 L809 L852 E855 Y859	S803-V805 VanDerWaalsContact C-N 3.32Å; S803-V805 PolarHBondContact O-N 3.23Å; S803-V805 WeakPolarHBondContact OG-CG1 3.48Å; V805-R807 VanDerWaalsContact C-N 3.35Å; V805-R807 PolarHBondContact O-N 2.65Å; V805-R808 PolarHBondContact O-N 2.98Å; V805-L809 HydrophobicContact CG2-CD1 4.04Å; V805-L809 HydrophobicContact CG2-CG 4.42Å; V805-L809 WeakPolarHBondContact O-CB 3.32Å; V805-L809 WeakPolarHBondContact O-CG 3.42Å; V805-L809 PolarHBondContact O-N 2.67Å; V805-L852 HydrophobicContact CG2-CD1 4.13Å; V805-E855 HydrophobicContact CG2-CB 3.96Å; V805-Y859 HydrophobicContact CG1-CD2 3.69Å; V805-Y859 HydrophobicContact CG1-CE2 4.37Å; V805-Y859 HydrophobicContact CG1-CG 4.03Å; V805-Y859 HydrophobicContact CG2-CG 4.4Å
806	A	93.3	Very high	91.2	Very high	0 Å²	0	72.4 Å²	72.4	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-65.8	-37.4	-179.3	0	0	0	0	0	112.1	R795 D798 A799 S803 L809 Y859	R795-A806 WeakPolarHBondContact CD-O 3.31Å; R795-A806 HydrophobicContact CG-CB 3.95Å; R795-A806 WeakPolarHBondContact CG-O 3.24Å; R795-A806 PolarHBondContact NH1-O 2.8Å; D798-A806 HydrophobicContact CB-CB 3.84Å; A799-A806 HydrophobicContact CB-CB 4.07Å; S803-A806 PolarHBondContact O-N 3.37Å; S803-A806 WeakPolarHBondContact OG-CB 3.24Å; S803-A806 PolarHBondContact OG-N 3Å; A806-L809 PolarHBondContact O-N 3.19Å; A806-Y859 HydrophobicContact CB-CE2 4.28Å
807	R	92.1	Very high	91.1	Very high	135 Å²	135	70.7 Å²	70.7	51%	0.509	36%	0.359	S	S	.	.	H	α-helix	trans	-63.4	-48.5	172.7	-70.7	-178.6	-170.5	176.7	2.7	111.8	A799 S803 V805 L809 G810	A799-R807 HydrophobicContact CB-CG 3.78Å; A799-R807 PolarHBondContact O-NE 3.07Å; A799-R807 PolarHBondContact O-NH2 3.08Å; S803-R807 PolarHBondContact O-N 3.04Å; S803-R807 VanDerWaalsContact O-N 3.17Å; V805-R807 VanDerWaalsContact C-N 3.35Å; V805-R807 PolarHBondContact O-N 2.65Å; R807-L809 PolarHBondContact O-N 3.17Å; R807-G810 PolarHBondContact O-N 3.17Å
808	R	92.3	Very high	91.1	Very high	96 Å²	96	64.8 Å²	64.8	36%	0.362	33%	0.331	S	S	.	.	H	α-helix	trans	-65.9	-22.3	-179.9	-67.8	-178.4	71.6	-173	5.4	113.7	K804 V805 E851 L852	K804-R808 WeakPolarHBondContact O-CG 3.49Å; K804-R808 PolarHBondContact O-N 3.34Å; V805-R808 PolarHBondContact O-N 2.98Å; R808-E851 IonicContact NH2-OE1 3.85Å; R808-E851 PolarHBondContact NH2-OE1 3.26Å; R808-L852 HydrophobicContact CB-CD1 3.98Å; R808-L852 HydrophobicContact CB-CD2 3.74Å
809	L	92.6	Very high	90.9	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-3.6	178.3	-87.6	176.7	0	0	0	114.9	R795 V805 A806 R807 G811 F812 F848 L852 A856 Y859 L860	R795-L809 HydrophobicContact CG-CB 4.36Å; V805-L809 HydrophobicContact CG2-CD1 4.04Å; V805-L809 HydrophobicContact CG2-CG 4.42Å; V805-L809 WeakPolarHBondContact O-CB 3.32Å; V805-L809 WeakPolarHBondContact O-CG 3.42Å; V805-L809 PolarHBondContact O-N 2.67Å; A806-L809 PolarHBondContact O-N 3.19Å; R807-L809 PolarHBondContact O-N 3.17Å; L809-G811 PolarHBondContact O-N 3Å; L809-F812 HydrophobicContact CD2-CB 4.33Å; L809-F812 PolarHBondContact O-N 3.24Å; L809-F812 VanDerWaalsContact O-N 3.11Å; L809-F848 HydrophobicContact CD2-CE2 4.22Å; L809-L852 HydrophobicContact CD2-CD2 4.47Å; L809-A856 HydrophobicContact CD1-CB 4.19Å; L809-A856 HydrophobicContact CD2-CB 3.53Å; L809-A856 HydrophobicContact CG-CB 4.06Å; L809-Y859 HydrophobicContact CD1-CD1 3.32Å; L809-Y859 HydrophobicContact CD1-CE1 3.96Å; L809-Y859 HydrophobicContact CD1-CG 4.05Å; L809-L860 HydrophobicContact CD1-CD2 4.05Å; L809-L860 HydrophobicContact CD1-CG 3.98Å; L809-L860 HydrophobicContact CD2-CD1 4.2Å
810	G	89.3	Confident	90.8	Very high	34 Å²	34	67.3 Å²	67.3	35%	0.351	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	131.5	179.1	0	0	0	0	0	112	R807 F812	R807-G810 PolarHBondContact O-N 3.17Å; G810-F812 VanDerWaalsContact C-N 3.27Å; G810-F812 WeakPolarHBondContact O-CD2 3.34Å; G810-F812 PolarHBondContact O-N 3.01Å
811	G	88.9	Confident	90.8	Very high	60 Å²	60	59.4 Å²	59.4	62%	0.619	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	-14	-179.2	0	0	0	0	0	116	L809	L809-G811 PolarHBondContact O-N 3Å
812	F	91.9	Very high	91	Very high	42 Å²	42	56.7 Å²	56.7	18%	0.184	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-8.6	-178.7	-63	-68.9	0	0	0	114.3	L809 G810 Q814 L845 F848	L809-F812 HydrophobicContact CD2-CB 4.33Å; L809-F812 PolarHBondContact O-N 3.24Å; L809-F812 VanDerWaalsContact O-N 3.11Å; G810-F812 VanDerWaalsContact C-N 3.27Å; G810-F812 WeakPolarHBondContact O-CD2 3.34Å; G810-F812 PolarHBondContact O-N 3.01Å; F812-Q814 PolarHBondContact O-N 3.08Å; F812-L845 HydrophobicContact CD1-CD1 3.97Å; F812-F848 HydrophobicContact CB-CD2 4.42Å; F812-F848 AromaticContact CD1-CD2 3.81Å; F812-F848 HydrophobicContact CD1-CD2 3.81Å; F812-F848 HydrophobicContact CD2-CD2 4.23Å; F812-F848 HydrophobicContact CD2-CE2 4.48Å; F812-F848 HydrophobicContact CE1-CB 4.22Å; F812-F848 HydrophobicContact CE1-CD2 4.04Å; F812-F848 HydrophobicContact CE2-CD2 4.44Å; F812-F848 AromaticContact CG-CD2 3.9Å; F812-F848 HydrophobicContact CG-CD2 3.9Å; F812-F848 HydrophobicContact CG-CE2 4.36Å; F812-F848 HydrophobicContact CZ-CD2 4.35Å
813	V	91.6	Very high	91.4	Very high	19 Å²	19	52.2 Å²	52.2	12%	0.115	26%	0.258	C	S	.	.			trans	-80	89.4	179.2	-172.5	0	0	0	0	110.1	I791 E792 L860	I791-V813 HydrophobicContact CB-CG1 4.1Å; I791-V813 HydrophobicContact CG2-CG1 3.76Å; E792-V813 HydrophobicContact CB-CB 4.35Å; E792-V813 HydrophobicContact CB-CG1 4.16Å; E792-V813 VanDerWaalsContact OE2-CB 3.26Å; E792-V813 WeakPolarHBondContact OE2-CB 3.38Å; E792-V813 WeakPolarHBondContact OE2-CG2 3.47Å; V813-L860 HydrophobicContact CG2-CD2 3.86Å
814	Q	90.7	Very high	91.3	Very high	87 Å²	87	52.5 Å²	52.5	41%	0.407	26%	0.258	S	S	.	.			trans	-117.3	153	-177.1	-60.3	178.7	-1.7	0	0	111.9	F812 K816 V817 V818	F812-Q814 PolarHBondContact O-N 3.08Å; Q814-K816 PolarHBondContact O-N 3.41Å; Q814-K816 VanDerWaalsContact O-N 3.17Å; Q814-V817 HydrophobicContact CB-CG2 4.28Å; Q814-V817 WeakPolarHBondContact O-CB 3.49Å; Q814-V817 PolarHBondContact O-N 2.87Å; Q814-V818 PolarHBondContact O-N 2.87Å
815	R	90.8	Very high	91.2	Very high	64 Å²	64	45 Å²	45	24%	0.242	23%	0.227	C	C	.	.	H	α-helix	trans	-46.7	-46.5	174.1	-175	-166.9	-175	-106.5	4.7	112	D782 Y784 S785 V817 V818 K819	D782-R815 VanDerWaalsContact CG-NE 3.33Å; D782-R815 IonicContact OD1-CZ 3.44Å; D782-R815 IonicContact OD1-NE 2.58Å; D782-R815 PolarHBondContact OD1-NE 3.42Å; D782-R815 IonicContact OD1-NH2 3.29Å; D782-R815 PolarHBondContact OD1-NH2 3Å; D782-R815 WeakPolarHBondContact OD2-CD 3.27Å; D782-R815 IonicContact OD2-CZ 3.2Å; D782-R815 IonicContact OD2-NE 3.78Å; D782-R815 PolarHBondContact OD2-NE 2.98Å; D782-R815 IonicContact OD2-NH2 2.6Å; Y784-R815 VanDerWaalsContact CD2-NH2 3.28Å; S785-R815 VanDerWaalsContact OG-CD 3.3Å; S785-R815 WeakPolarHBondContact OG-CD 3.46Å; R815-V817 VanDerWaalsContact C-N 3.28Å; R815-V817 PolarHBondContact O-N 3.5Å; R815-V818 PolarHBondContact O-N 3.35Å; R815-K819 VanDerWaalsContact O-CB 3.26Å; R815-K819 WeakPolarHBondContact O-CB 3.35Å; R815-K819 PolarHBondContact O-N 3.47Å
816	K	90.3	Very high	90.6	Very high	140 Å²	140	44.3 Å²	44.3	61%	0.609	22%	0.222	S	C	*	.	H	α-helix	trans	-60.6	-34.4	-178.7	-168.8	172	-177.6	175.1	0	112.8	Q814	Q814-K816 PolarHBondContact O-N 3.41Å; Q814-K816 VanDerWaalsContact O-N 3.17Å
817	V	93.8	Very high	90.1	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-69.7	-37.8	180	176.9	0	0	0	0	111.9	Q814 R815 I838 Q841 L842 L845 L860	Q814-V817 HydrophobicContact CB-CG2 4.28Å; Q814-V817 WeakPolarHBondContact O-CB 3.49Å; Q814-V817 PolarHBondContact O-N 2.87Å; R815-V817 VanDerWaalsContact C-N 3.28Å; R815-V817 PolarHBondContact O-N 3.5Å; V817-I838 HydrophobicContact CG1-CG2 3.92Å; V817-Q841 HydrophobicContact CB-CB 4.46Å; V817-Q841 HydrophobicContact CG2-CB 4.49Å; V817-L842 HydrophobicContact CG1-CD2 3.8Å; V817-L842 HydrophobicContact CG1-CG 4.08Å; V817-L842 HydrophobicContact CG2-CD2 4.27Å; V817-L845 HydrophobicContact CG2-CD1 4.07Å; V817-L860 HydrophobicContact CG1-CD1 4.04Å
818	V	93.2	Very high	89.6	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-100	-21.2	-174.6	-59.5	0	0	0	0	114.1	A788 I791 Q814 R815 Q820 T821 V822	A788-V818 HydrophobicContact CB-CG2 3.88Å; I791-V818 HydrophobicContact CD1-CB 4.42Å; I791-V818 HydrophobicContact CD1-CG1 3.83Å; Q814-V818 PolarHBondContact O-N 2.87Å; R815-V818 PolarHBondContact O-N 3.35Å; V818-Q820 PolarHBondContact O-N 3.43Å; V818-T821 WeakPolarHBondContact O-CB 3.46Å; V818-T821 PolarHBondContact O-N 3Å; V818-V822 PolarHBondContact O-N 3.44Å
819	K	91.4	Very high	89.1	Confident	67 Å²	67	38.8 Å²	38.8	29%	0.291	22%	0.215	S	C	.	.	H	α-helix	trans	-45.7	-56	-175.7	179.4	-174.3	178.7	-167.9	0	112.4	Y784 R815 T821 V822 M823	Y784-K819 HydrophobicContact CD1-CB 4.32Å; Y784-K819 HydrophobicContact CD1-CG 3.95Å; Y784-K819 HydrophobicContact CD2-CG 4.42Å; Y784-K819 HydrophobicContact CE1-CG 4.22Å; Y784-K819 HydrophobicContact CG-CB 4.44Å; Y784-K819 HydrophobicContact CG-CG 4.06Å; R815-K819 VanDerWaalsContact O-CB 3.26Å; R815-K819 WeakPolarHBondContact O-CB 3.35Å; R815-K819 PolarHBondContact O-N 3.47Å; K819-T821 VanDerWaalsContact C-N 3.28Å; K819-T821 PolarHBondContact O-N 3.39Å; K819-V822 PolarHBondContact O-N 3.01Å; K819-M823 HydrophobicContact CG-SD 4.05Å; K819-M823 WeakPolarHBondContact O-CG 3.26Å; K819-M823 PolarHBondContact O-N 3.13Å
820	Q	92	Very high	88.8	Confident	49 Å²	49	42 Å²	42	23%	0.229	24%	0.235	C	C	.	.	H	α-helix	trans	-61.8	-36.5	-177.2	-172.6	179.5	4.1	0	0	112.6	V818 T824 Q837 R840	V818-Q820 PolarHBondContact O-N 3.43Å; Q820-T824 WeakPolarHBondContact O-CG2 3.46Å; Q820-T824 PolarHBondContact O-N 2.93Å; Q820-T824 VanDerWaalsContact O-N 3.08Å; Q820-T824 PolarHBondContact O-OG1 2.82Å; Q820-Q837 HydrophobicContact CG-CB 4.35Å; Q820-Q837 HydrophobicContact CG-CG 4.2Å; Q820-R840 VanDerWaalsContact CD-NH2 3.25Å
821	T	92.9	Very high	88.9	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-70.9	-42.3	179.6	-57.3	0	0	0	0	111	V818 K819 T824 T825 A834 Q837 I838 T864	V818-T821 WeakPolarHBondContact O-CB 3.46Å; V818-T821 PolarHBondContact O-N 3Å; K819-T821 VanDerWaalsContact C-N 3.28Å; K819-T821 PolarHBondContact O-N 3.39Å; T821-T824 PolarHBondContact O-N 3.1Å; T821-T824 PolarHBondContact O-OG1 3.48Å; T821-T825 WeakPolarHBondContact O-CB 3.12Å; T821-T825 PolarHBondContact O-N 2.92Å; T821-T825 PolarHBondContact O-OG1 2.83Å; T821-A834 HydrophobicContact CG2-CB 3.59Å; T821-Q837 PolarHBondContact OG1-OE1 2.82Å; T821-I838 HydrophobicContact CG2-CD1 4.31Å; T821-I838 VanDerWaalsContact OG1-CG1 3.25Å; T821-I838 WeakPolarHBondContact OG1-CG1 3.19Å; T821-T864 HydrophobicContact CG2-CG2 3.95Å
822	V	91	Very high	89	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-60.1	-48	174.1	172.6	0	0	0	0	110.6	Y784 V787 V818 K819 T824 T825 T864 L868	Y784-V822 HydrophobicContact CD1-CB 3.9Å; Y784-V822 HydrophobicContact CD1-CG1 3.71Å; Y784-V822 HydrophobicContact CE1-CB 4.21Å; Y784-V822 HydrophobicContact CE1-CG1 3.85Å; V787-V822 HydrophobicContact CB-CG2 4.18Å; V787-V822 HydrophobicContact CG1-CG2 3.73Å; V787-V822 HydrophobicContact CG2-CG2 4.32Å; V818-V822 PolarHBondContact O-N 3.44Å; K819-V822 PolarHBondContact O-N 3.01Å; V822-T824 VanDerWaalsContact C-N 3.28Å; V822-T824 PolarHBondContact O-N 3.34Å; V822-T825 PolarHBondContact O-N 3.39Å; V822-T864 HydrophobicContact CG2-CG2 4.09Å; V822-L868 HydrophobicContact CG1-CD2 4.05Å; V822-L868 HydrophobicContact CG2-CD1 4.44Å; V822-L868 HydrophobicContact CG2-CD2 4.37Å
823	M	88.9	Confident	89.1	Confident	74 Å²	74	52.1 Å²	52.1	37%	0.365	25%	0.25	S	C	.	.	H	α-helix	trans	-59.7	-34.5	178	-70.8	-179.1	76.8	0	0	113.5	Y784 K819 V826 Y827	Y784-M823 HydrophobicContact CD1-CG 4.46Å; Y784-M823 HydrophobicContact CE1-CG 3.4Å; Y784-M823 VanDerWaalsContact CE1-CG 3.4Å; Y784-M823 HydrophobicContact CE1-SD 4.41Å; Y784-M823 WeakPolarHBondContact OH-CG 3.41Å; K819-M823 HydrophobicContact CG-SD 4.05Å; K819-M823 WeakPolarHBondContact O-CG 3.26Å; K819-M823 PolarHBondContact O-N 3.13Å; M823-V826 WeakPolarHBondContact O-CG2 3.18Å; M823-Y827 VanDerWaalsContact O-CD2 3.28Å; M823-Y827 WeakPolarHBondContact O-CD2 3.48Å
824	T	88.5	Confident	89.2	Confident	37 Å²	37	51.2 Å²	51.2	23%	0.227	25%	0.245	C	C	.	.	H	α-helix	trans	-95.8	-15.1	-174.9	59.1	0	0	0	0	114	Q820 T821 V822 Y827 G828 V829 Q837	Q820-T824 WeakPolarHBondContact O-CG2 3.46Å; Q820-T824 PolarHBondContact O-N 2.93Å; Q820-T824 VanDerWaalsContact O-N 3.08Å; Q820-T824 PolarHBondContact O-OG1 2.82Å; T821-T824 PolarHBondContact O-N 3.1Å; T821-T824 PolarHBondContact O-OG1 3.48Å; V822-T824 VanDerWaalsContact C-N 3.28Å; V822-T824 PolarHBondContact O-N 3.34Å; T824-Y827 CarbonylContact O-C 3.5Å; T824-Y827 PolarHBondContact O-N 2.98Å; T824-Y827 VanDerWaalsContact O-N 3.13Å; T824-G828 PolarHBondContact O-N 3.32Å; T824-V829 WeakPolarHBondContact O-CB 3.35Å; T824-V829 PolarHBondContact O-N 3.01Å; T824-Q837 PolarHBondContact OG1-NE2 2.93Å; T824-Q837 PolarHBondContact OG1-OE1 2.95Å
825	T	86.7	Confident	89.5	Confident	16 Å²	16	48.7 Å²	48.7	10%	0.098	23%	0.231	C	C	.	.	H	α-helix	trans	-67.1	-37.7	178.3	-61.5	0	0	0	0	112.5	T821 V822 Y827 G828 F865 L868	T821-T825 WeakPolarHBondContact O-CB 3.12Å; T821-T825 PolarHBondContact O-N 2.92Å; T821-T825 PolarHBondContact O-OG1 2.83Å; V822-T825 PolarHBondContact O-N 3.39Å; T825-Y827 PolarHBondContact O-N 3.5Å; T825-G828 PolarHBondContact O-N 3.42Å; T825-F865 HydrophobicContact CG2-CD1 4.12Å; T825-F865 HydrophobicContact CG2-CE1 3.66Å; T825-F865 HydrophobicContact CG2-CZ 4.23Å; T825-L868 HydrophobicContact CG2-CD1 3.79Å
826	V	81.3	Confident	89.7	Confident	8 Å²	8	49.1 Å²	49.1	5%	0.048	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-27.5	172.1	-71.7	0	0	0	0	113.4	L756 Y759 M823 Q879	L756-V826 HydrophobicContact CB-CG1 4.36Å; L756-V826 HydrophobicContact CD1-CG1 4.45Å; L756-V826 HydrophobicContact CD2-CG1 3.2Å; L756-V826 HydrophobicContact CG-CG1 3.38Å; Y759-V826 HydrophobicContact CD2-CB 4.37Å; Y759-V826 HydrophobicContact CD2-CG1 4.2Å; Y759-V826 HydrophobicContact CE2-CB 4.07Å; Y759-V826 HydrophobicContact CE2-CG1 4.32Å; M823-V826 WeakPolarHBondContact O-CG2 3.18Å; V826-Q879 PolarHBondContact O-NE2 3.23Å
827	Y	82.7	Confident	90	Very high	53 Å²	53	43.8 Å²	43.8	21%	0.208	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	24.4	177	-56.2	-60.5	0	0	0	113.1	G755 M823 T824 T825 V829 P958 I961 H962	G755-Y827 PolarHBondContact N-OH 2.93Å; M823-Y827 VanDerWaalsContact O-CD2 3.28Å; M823-Y827 WeakPolarHBondContact O-CD2 3.48Å; T824-Y827 CarbonylContact O-C 3.5Å; T824-Y827 PolarHBondContact O-N 2.98Å; T824-Y827 VanDerWaalsContact O-N 3.13Å; T825-Y827 PolarHBondContact O-N 3.5Å; Y827-V829 PolarHBondContact O-N 3.04Å; Y827-P958 VanDerWaalsContact O-CB 3.28Å; Y827-P958 WeakPolarHBondContact O-CB 3.32Å; Y827-I961 HydrophobicContact CE1-CG2 4.09Å; Y827-H962 AromaticContact CD1-CD2 3.7Å; Y827-H962 AromaticContact CD1-CE1 3.52Å; Y827-H962 AromaticContact CD1-NE2 3.27Å; Y827-H962 VanDerWaalsContact CD1-NE2 3.27Å; Y827-H962 WeakPolarHBondContact CD1-NE2 3.26Å; Y827-H962 AromaticContact CE1-CE1 3.36Å; Y827-H962 WeakPolarHBondContact CE1-CE1 3.41Å; Y827-H962 AromaticContact CE1-ND1 3.74Å; Y827-H962 AromaticContact CE1-NE2 3.65Å; Y827-H962 AromaticContact CG-NE2 3.67Å; Y827-H962 AromaticContact CZ-CE1 3.74Å
828	G	80.6	Confident	90.1	Very high	33 Å²	33	43.8 Å²	43.8	34%	0.34	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	24.9	167.6	0	0	0	0	0	115.2	T824 T825 T830	T824-G828 PolarHBondContact O-N 3.32Å; T825-G828 PolarHBondContact O-N 3.42Å; G828-T830 PolarHBondContact O-N 3.25Å
829	V	83.3	Confident	90.3	Very high	29 Å²	29	44 Å²	44	18%	0.176	22%	0.215	C	C	.	.			trans	-54.6	135.6	172.2	81.2	0	0	0	0	110.6	T824 Y827 A834 F865	T824-V829 WeakPolarHBondContact O-CB 3.35Å; T824-V829 PolarHBondContact O-N 3.01Å; Y827-V829 PolarHBondContact O-N 3.04Å; V829-A834 HydrophobicContact CG1-CB 4.07Å; V829-F865 HydrophobicContact CG1-CZ 4.39Å
830	T	86.3	Confident	90.4	Very high	69 Å²	69	47.3 Å²	47.3	42%	0.423	23%	0.225	S	C	.	.			trans	-74.6	157.1	175.3	65.3	0	0	0	0	110.7	G828 Y832 G833 A834	G828-T830 PolarHBondContact O-N 3.25Å; T830-Y832 PolarHBondContact O-N 3.18Å; T830-Y832 VanDerWaalsContact O-N 3.11Å; T830-G833 WeakPolarHBondContact O-CA 3.47Å; T830-G833 PolarHBondContact O-N 3.37Å; T830-G833 PolarHBondContact OG1-N 3.19Å; T830-A834 PolarHBondContact O-N 3.41Å
831	R	90.8	Very high	90.6	Very high	174 Å²	174	46.3 Å²	46.3	66%	0.657	22%	0.221	S	C	*	.	H	α-helix	trans	-51.8	-34.5	171.5	-70	-172.4	178.4	175.6	-1.5	113.1	R835 M861 F865	R831-R835 WeakPolarHBondContact O-CB 3.18Å; R831-R835 PolarHBondContact O-N 3.04Å; R831-M861 HydrophobicContact CB-CE 4.05Å; R831-M861 HydrophobicContact CB-SD 3.69Å; R831-M861 HydrophobicContact CG-CE 4.45Å; R831-M861 HydrophobicContact CG-SD 3.7Å; R831-F865 HydrophobicContact CG-CD2 4.37Å; R831-F865 HydrophobicContact CG-CE2 4Å; R831-F865 HydrophobicContact CG-CZ 4.23Å
832	Y	91.3	Very high	90.6	Very high	155 Å²	155	46.3 Å²	46.3	61%	0.608	22%	0.221	S	C	*	.	H	α-helix	trans	-63.9	-50.9	173.8	178.6	-91.4	0	0	0	111.5	T830 R835 H836	T830-Y832 PolarHBondContact O-N 3.18Å; T830-Y832 VanDerWaalsContact O-N 3.11Å; Y832-R835 PolarHBondContact O-N 3.29Å; Y832-H836 AromaticContact CD1-CD2 3.78Å; Y832-H836 AromaticContact CE1-CD2 3.4Å; Y832-H836 WeakPolarHBondContact CE1-CD2 3.35Å; Y832-H836 AromaticContact CE1-NE2 3.6Å; Y832-H836 AromaticContact CE2-CD2 3.82Å; Y832-H836 AromaticContact CE2-NE2 3.45Å; Y832-H836 WeakPolarHBondContact CE2-NE2 3.44Å; Y832-H836 AromaticContact CZ-CD2 3.42Å; Y832-H836 VanDerWaalsContact CZ-CD2 3.42Å; Y832-H836 AromaticContact CZ-NE2 3.09Å; Y832-H836 PolarHBondContact O-CD2 3.19Å; Y832-H836 VanDerWaalsContact O-CD2 3.29Å; Y832-H836 PolarHBondContact O-N 3.47Å; Y832-H836 VanDerWaalsContact O-N 3.12Å; Y832-H836 PolarHBondContact OH-NE2 3.28Å; Y832-H836 VanDerWaalsContact OH-NE2 3.12Å
833	G	92.8	Very high	90.7	Very high	19 Å²	19	52.5 Å²	52.5	20%	0.196	25%	0.247	C	C	.	.	H	α-helix	trans	-61	-46.5	177.7	0	0	0	0	0	112.7	T830 R835 H836 Q837	T830-G833 WeakPolarHBondContact O-CA 3.47Å; T830-G833 PolarHBondContact O-N 3.37Å; T830-G833 PolarHBondContact OG1-N 3.19Å; G833-R835 PolarHBondContact O-N 3.28Å; G833-H836 WeakPolarHBondContact O-CB 3.31Å; G833-H836 PolarHBondContact O-N 3.34Å; G833-H836 VanDerWaalsContact O-N 3.16Å; G833-Q837 WeakPolarHBondContact O-CG 3.3Å; G833-Q837 PolarHBondContact O-N 2.87Å
834	A	94.2	Very high	90.7	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-56.6	-48.3	176	0	0	0	0	0	112.2	T821 V829 T830 H836 Q837 I838 M861 F865	T821-A834 HydrophobicContact CG2-CB 3.59Å; V829-A834 HydrophobicContact CG1-CB 4.07Å; T830-A834 PolarHBondContact O-N 3.41Å; A834-H836 VanDerWaalsContact C-N 3.28Å; A834-H836 PolarHBondContact O-N 2.99Å; A834-Q837 PolarHBondContact O-N 3.41Å; A834-I838 WeakPolarHBondContact O-CG1 3.33Å; A834-I838 PolarHBondContact O-N 3.48Å; A834-M861 HydrophobicContact CB-CG 3.7Å; A834-F865 HydrophobicContact CB-CE2 3.69Å; A834-F865 HydrophobicContact CB-CZ 4.2Å
835	R	96.6	Very high	90.8	Very high	33 Å²	33	54.6 Å²	54.6	13%	0.125	26%	0.258	C	S	.	.	H	α-helix	trans	-57.9	-42.9	176.7	-172.8	-170.3	66	77.9	2.8	111.4	R831 Y832 G833 I838 S839 S857 M861	R831-R835 WeakPolarHBondContact O-CB 3.18Å; R831-R835 PolarHBondContact O-N 3.04Å; Y832-R835 PolarHBondContact O-N 3.29Å; G833-R835 PolarHBondContact O-N 3.28Å; R835-I838 PolarHBondContact O-N 3.37Å; R835-S839 VanDerWaalsContact O-CB 3.23Å; R835-S839 WeakPolarHBondContact O-CB 3.45Å; R835-S839 PolarHBondContact O-N 3.2Å; R835-S857 WeakPolarHBondContact CG-OG 3.38Å; R835-M861 HydrophobicContact CB-CB 4.28Å; R835-M861 HydrophobicContact CB-CG 4.29Å
836	H	95.8	Very high	90.7	Very high	74 Å²	74	60.5 Å²	60.5	34%	0.343	29%	0.294	S	S	.	.	H	α-helix	trans	-65	-38.3	178.1	-89.3	-74.8	0	0	0	113.2	Y832 G833 A834 S839 R840	Y832-H836 AromaticContact CD1-CD2 3.78Å; Y832-H836 AromaticContact CE1-CD2 3.4Å; Y832-H836 WeakPolarHBondContact CE1-CD2 3.35Å; Y832-H836 AromaticContact CE1-NE2 3.6Å; Y832-H836 AromaticContact CE2-CD2 3.82Å; Y832-H836 AromaticContact CE2-NE2 3.45Å; Y832-H836 WeakPolarHBondContact CE2-NE2 3.44Å; Y832-H836 AromaticContact CZ-CD2 3.42Å; Y832-H836 VanDerWaalsContact CZ-CD2 3.42Å; Y832-H836 AromaticContact CZ-NE2 3.09Å; Y832-H836 PolarHBondContact O-CD2 3.19Å; Y832-H836 VanDerWaalsContact O-CD2 3.29Å; Y832-H836 PolarHBondContact O-N 3.47Å; Y832-H836 VanDerWaalsContact O-N 3.12Å; Y832-H836 PolarHBondContact OH-NE2 3.28Å; Y832-H836 VanDerWaalsContact OH-NE2 3.12Å; G833-H836 WeakPolarHBondContact O-CB 3.31Å; G833-H836 PolarHBondContact O-N 3.34Å; G833-H836 VanDerWaalsContact O-N 3.16Å; A834-H836 VanDerWaalsContact C-N 3.28Å; A834-H836 PolarHBondContact O-N 2.99Å; H836-S839 PolarHBondContact O-N 3.38Å; H836-R840 WeakPolarHBondContact O-CB 3.18Å; H836-R840 PolarHBondContact O-N 3.45Å
837	Q	96.3	Very high	90.9	Very high	28 Å²	28	66.7 Å²	66.7	13%	0.131	33%	0.327	C	S	.	.	H	α-helix	trans	-63.5	-46.3	175.4	-68.4	167	-9	0	0	111.2	Q820 T821 T824 G833 A834 R840 Q841	Q820-Q837 HydrophobicContact CG-CB 4.35Å; Q820-Q837 HydrophobicContact CG-CG 4.2Å; T821-Q837 PolarHBondContact OG1-OE1 2.82Å; T824-Q837 PolarHBondContact OG1-NE2 2.93Å; T824-Q837 PolarHBondContact OG1-OE1 2.95Å; G833-Q837 WeakPolarHBondContact O-CG 3.3Å; G833-Q837 PolarHBondContact O-N 2.87Å; A834-Q837 PolarHBondContact O-N 3.41Å; Q837-R840 PolarHBondContact O-N 2.84Å; Q837-Q841 PolarHBondContact O-N 2.94Å; Q837-Q841 VanDerWaalsContact O-N 3.14Å
838	I	96.2	Very high	91.3	Very high	0 Å²	0	65 Å²	65	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-62.4	-48.1	175.9	-66.4	173.9	0	0	0	110.7	V817 T821 A834 R835 R840 Q841 L842 L860 M861	V817-I838 HydrophobicContact CG1-CG2 3.92Å; T821-I838 HydrophobicContact CG2-CD1 4.31Å; T821-I838 VanDerWaalsContact OG1-CG1 3.25Å; T821-I838 WeakPolarHBondContact OG1-CG1 3.19Å; A834-I838 WeakPolarHBondContact O-CG1 3.33Å; A834-I838 PolarHBondContact O-N 3.48Å; R835-I838 PolarHBondContact O-N 3.37Å; I838-R840 PolarHBondContact O-N 2.83Å; I838-Q841 PolarHBondContact O-N 2.64Å; I838-L842 HydrophobicContact CG2-CD1 3.81Å; I838-L842 HydrophobicContact CG2-CG 4.09Å; I838-L842 WeakPolarHBondContact O-CG 3.37Å; I838-L842 PolarHBondContact O-N 3.45Å; I838-L860 HydrophobicContact CD1-CB 4.05Å; I838-L860 HydrophobicContact CG2-CB 4.01Å; I838-L860 HydrophobicContact CG2-CD1 3.96Å; I838-M861 HydrophobicContact CD1-CB 3.95Å
839	S	96.2	Very high	91.7	Very high	6 Å²	6	65.3 Å²	65.3	4%	0.042	32%	0.317	C	S	.	.	H	α-helix	trans	-53.8	-41.9	176.5	146.3	0	0	0	0	111.7	R835 H836 L842 K843 E853	R835-S839 VanDerWaalsContact O-CB 3.23Å; R835-S839 WeakPolarHBondContact O-CB 3.45Å; R835-S839 PolarHBondContact O-N 3.2Å; H836-S839 PolarHBondContact O-N 3.38Å; S839-L842 PolarHBondContact O-N 3.1Å; S839-K843 WeakPolarHBondContact O-CG 3.25Å; S839-K843 PolarHBondContact O-N 2.79Å; S839-K843 VanDerWaalsContact O-N 3.11Å; S839-E853 WeakPolarHBondContact CB-OE1 3.11Å; S839-E853 PolarHBondContact OG-OE1 3.47Å
840	R	94.3	Very high	91.9	Very high	136 Å²	136	72.8 Å²	72.8	51%	0.513	35%	0.347	S	S	.	.	H	α-helix	trans	-63.6	-42.4	176	-172.5	174.4	68.3	162.1	8.3	112.3	Q820 H836 Q837 I838 L844	Q820-R840 VanDerWaalsContact CD-NH2 3.25Å; H836-R840 WeakPolarHBondContact O-CB 3.18Å; H836-R840 PolarHBondContact O-N 3.45Å; Q837-R840 PolarHBondContact O-N 2.84Å; I838-R840 PolarHBondContact O-N 2.83Å; R840-L844 WeakPolarHBondContact O-CG 3.43Å
841	Q	95	Very high	92.1	Very high	27 Å²	27	75.7 Å²	75.7	13%	0.126	36%	0.356	C	S	.	.	H	α-helix	trans	-71.2	-38.5	178.6	-63.3	-59.6	-31	0	0	112.5	V817 Q837 I838 K843 L844	V817-Q841 HydrophobicContact CB-CB 4.46Å; V817-Q841 HydrophobicContact CG2-CB 4.49Å; Q837-Q841 PolarHBondContact O-N 2.94Å; Q837-Q841 VanDerWaalsContact O-N 3.14Å; I838-Q841 PolarHBondContact O-N 2.64Å; Q841-K843 VanDerWaalsContact C-N 3.27Å; Q841-K843 PolarHBondContact O-N 3.49Å; Q841-L844 PolarHBondContact O-N 3.34Å; Q841-L844 VanDerWaalsContact O-N 3.11Å
842	L	94.7	Very high	92.2	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-60.5	-38.1	175.3	-70.6	173.6	0	0	0	111.9	V817 I838 S839 L844 L845 F848 A856 L860	V817-L842 HydrophobicContact CG1-CD2 3.8Å; V817-L842 HydrophobicContact CG1-CG 4.08Å; V817-L842 HydrophobicContact CG2-CD2 4.27Å; I838-L842 HydrophobicContact CG2-CD1 3.81Å; I838-L842 HydrophobicContact CG2-CG 4.09Å; I838-L842 WeakPolarHBondContact O-CG 3.37Å; I838-L842 PolarHBondContact O-N 3.45Å; S839-L842 PolarHBondContact O-N 3.1Å; L842-L844 PolarHBondContact O-N 3.12Å; L842-L845 HydrophobicContact CD2-CD1 4.14Å; L842-L845 WeakPolarHBondContact O-CB 3.35Å; L842-L845 PolarHBondContact O-N 3.06Å; L842-F848 HydrophobicContact CB-CD1 4.03Å; L842-F848 HydrophobicContact CB-CE1 3.98Å; L842-F848 HydrophobicContact CB-CE2 4.45Å; L842-F848 HydrophobicContact CB-CG 4.32Å; L842-F848 HydrophobicContact CB-CZ 4.19Å; L842-F848 HydrophobicContact CD1-CE1 4.33Å; L842-F848 HydrophobicContact CD1-CE2 4.29Å; L842-F848 HydrophobicContact CD1-CZ 3.88Å; L842-F848 HydrophobicContact CD2-CD2 4.02Å; L842-F848 HydrophobicContact CD2-CE2 3.79Å; L842-F848 HydrophobicContact CD2-CZ 4.2Å; L842-F848 HydrophobicContact CG-CE2 4.4Å; L842-F848 HydrophobicContact CG-CZ 4.33Å; L842-F848 WeakPolarHBondContact O-CB 3.04Å; L842-A856 HydrophobicContact CD1-CB 3.84Å; L842-L860 HydrophobicContact CD1-CD1 4.31Å; L842-L860 HydrophobicContact CD2-CD1 4.18Å
843	K	92.2	Very high	92.3	Very high	131 Å²	131	61.7 Å²	61.7	57%	0.57	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-21.3	175.9	-80.5	172.4	155.3	134.3	0	114.6	S839 Q841 L845 E853	S839-K843 WeakPolarHBondContact O-CG 3.25Å; S839-K843 PolarHBondContact O-N 2.79Å; S839-K843 VanDerWaalsContact O-N 3.11Å; Q841-K843 VanDerWaalsContact C-N 3.27Å; Q841-K843 PolarHBondContact O-N 3.49Å; K843-L845 VanDerWaalsContact C-N 3.32Å; K843-E853 WeakPolarHBondContact CE-OE1 3.32Å; K843-E853 WeakPolarHBondContact CE-OE2 3.34Å; K843-E853 HydrophobicContact CG-CG 4.4Å; K843-E853 IonicContact NZ-OE1 2.85Å; K843-E853 PolarHBondContact NZ-OE1 2.89Å; K843-E853 IonicContact NZ-OE2 3.93Å; K843-E853 PolarHBondContact NZ-OE2 3.09Å
844	L	89.2	Confident	92.3	Very high	119 Å²	119	66.6 Å²	66.6	62%	0.623	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-6.1	178.3	-64.4	173.7	0	0	0	112.5	R840 Q841 L842	R840-L844 WeakPolarHBondContact O-CG 3.43Å; Q841-L844 PolarHBondContact O-N 3.34Å; Q841-L844 VanDerWaalsContact O-N 3.11Å; L842-L844 PolarHBondContact O-N 3.12Å
845	L	90.4	Very high	92.4	Very high	37 Å²	37	71.5 Å²	71.5	19%	0.194	34%	0.342	C	S	.	.	S	Bend	trans	-83	126.6	174.9	-58.8	177.8	0	0	0	109.2	F812 V817 L842 K843 D847 F848	F812-L845 HydrophobicContact CD1-CD1 3.97Å; V817-L845 HydrophobicContact CG2-CD1 4.07Å; L842-L845 HydrophobicContact CD2-CD1 4.14Å; L842-L845 WeakPolarHBondContact O-CB 3.35Å; L842-L845 PolarHBondContact O-N 3.06Å; K843-L845 VanDerWaalsContact C-N 3.32Å; L845-D847 VanDerWaalsContact C-N 3.29Å; L845-D847 PolarHBondContact O-N 2.96Å; L845-F848 HydrophobicContact CB-CB 3.84Å; L845-F848 PolarHBondContact O-N 2.88Å
846	T	84	Confident	92.3	Very high	139 Å²	139	70 Å²	70	85%	0.853	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-39.6	-174	-38.4	0	0	0	0	113.1
847	D	86.3	Confident	92.3	Very high	139 Å²	139	66.4 Å²	66.4	74%	0.743	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	15.4	-171.8	-54.5	-46.8	0	0	0	113.9	L845 P849	L845-D847 VanDerWaalsContact C-N 3.29Å; L845-D847 PolarHBondContact O-N 2.96Å; D847-P849 WeakPolarHBondContact O-CD 3.36Å
848	F	91.2	Very high	92.4	Very high	18 Å²	18	70.5 Å²	70.5	8%	0.079	34%	0.338	C	S	.	.			trans	-82.9	124.5	-175.6	-175.7	-93.1	0	0	0	112.5	L809 F812 L842 L845 K850 L852 E853 A856	L809-F848 HydrophobicContact CD2-CE2 4.22Å; F812-F848 HydrophobicContact CB-CD2 4.42Å; F812-F848 AromaticContact CD1-CD2 3.81Å; F812-F848 HydrophobicContact CD1-CD2 3.81Å; F812-F848 HydrophobicContact CD2-CD2 4.23Å; F812-F848 HydrophobicContact CD2-CE2 4.48Å; F812-F848 HydrophobicContact CE1-CB 4.22Å; F812-F848 HydrophobicContact CE1-CD2 4.04Å; F812-F848 HydrophobicContact CE2-CD2 4.44Å; F812-F848 AromaticContact CG-CD2 3.9Å; F812-F848 HydrophobicContact CG-CD2 3.9Å; F812-F848 HydrophobicContact CG-CE2 4.36Å; F812-F848 HydrophobicContact CZ-CD2 4.35Å; L842-F848 HydrophobicContact CB-CD1 4.03Å; L842-F848 HydrophobicContact CB-CE1 3.98Å; L842-F848 HydrophobicContact CB-CE2 4.45Å; L842-F848 HydrophobicContact CB-CG 4.32Å; L842-F848 HydrophobicContact CB-CZ 4.19Å; L842-F848 HydrophobicContact CD1-CE1 4.33Å; L842-F848 HydrophobicContact CD1-CE2 4.29Å; L842-F848 HydrophobicContact CD1-CZ 3.88Å; L842-F848 HydrophobicContact CD2-CD2 4.02Å; L842-F848 HydrophobicContact CD2-CE2 3.79Å; L842-F848 HydrophobicContact CD2-CZ 4.2Å; L842-F848 HydrophobicContact CG-CE2 4.4Å; L842-F848 HydrophobicContact CG-CZ 4.33Å; L842-F848 WeakPolarHBondContact O-CB 3.04Å; L845-F848 HydrophobicContact CB-CB 3.84Å; L845-F848 PolarHBondContact O-N 2.88Å; F848-K850 PolarHBondContact O-N 2.81Å; F848-L852 HydrophobicContact CE1-CB 4.46Å; F848-L852 HydrophobicContact CE2-CD2 4Å; F848-L852 HydrophobicContact CE2-CG 4.45Å; F848-L852 HydrophobicContact CZ-CB 4.04Å; F848-L852 HydrophobicContact CZ-CD2 4.08Å; F848-L852 HydrophobicContact CZ-CG 4.03Å; F848-E853 HydrophobicContact CE1-CB 3.97Å; F848-E853 HydrophobicContact CE1-CG 4.44Å; F848-A856 HydrophobicContact CE2-CB 4.21Å; F848-A856 HydrophobicContact CZ-CB 3.67Å
849	P	89.6	Confident	92.4	Very high	39 Å²	39	71.4 Å²	71.4	25%	0.253	34%	0.341	S	S	.	.			trans	-66.9	122.6	-177.8	-17.5	29.4	0	0	0	112.7	D847 E851 L852	D847-P849 WeakPolarHBondContact O-CD 3.36Å; P849-E851 VanDerWaalsContact C-N 3.28Å; P849-E851 VanDerWaalsContact CB-OE1 3.23Å; P849-E851 WeakPolarHBondContact CB-OE1 3.37Å; P849-E851 PolarHBondContact O-N 3.41Å; P849-L852 HydrophobicContact CB-CB 4.15Å; P849-L852 WeakPolarHBondContact O-CB 3.21Å; P849-L852 PolarHBondContact O-N 3.04Å
850	K	87	Confident	92.4	Very high	185 Å²	185	71.1 Å²	71.1	80%	0.804	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-61	-35.9	-175.2	-69	-175.9	-177.2	176.3	0	112.9	F848 L852 E853	F848-K850 PolarHBondContact O-N 2.81Å; K850-L852 VanDerWaalsContact C-N 3.25Å; K850-L852 PolarHBondContact O-N 3.29Å; K850-E853 VanDerWaalsContact O-CB 3.23Å; K850-E853 WeakPolarHBondContact O-CB 3.36Å; K850-E853 PolarHBondContact O-N 3.28Å
851	E	90.4	Very high	92.5	Very high	130 Å²	130	65.5 Å²	65.5	61%	0.607	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-69.7	-22.1	178.8	73.1	-72.3	170.8	0	0	113.3	R808 P849	R808-E851 IonicContact NH2-OE1 3.85Å; R808-E851 PolarHBondContact NH2-OE1 3.26Å; P849-E851 VanDerWaalsContact C-N 3.28Å; P849-E851 VanDerWaalsContact CB-OE1 3.23Å; P849-E851 WeakPolarHBondContact CB-OE1 3.37Å; P849-E851 PolarHBondContact O-N 3.41Å
852	L	92.1	Very high	92.5	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-81.3	-18.7	176.8	-174.5	62.8	0	0	0	112.2	V805 R808 L809 F848 P849 K850 F854 E855 A856	V805-L852 HydrophobicContact CG2-CD1 4.13Å; R808-L852 HydrophobicContact CB-CD1 3.98Å; R808-L852 HydrophobicContact CB-CD2 3.74Å; L809-L852 HydrophobicContact CD2-CD2 4.47Å; F848-L852 HydrophobicContact CE1-CB 4.46Å; F848-L852 HydrophobicContact CE2-CD2 4Å; F848-L852 HydrophobicContact CE2-CG 4.45Å; F848-L852 HydrophobicContact CZ-CB 4.04Å; F848-L852 HydrophobicContact CZ-CD2 4.08Å; F848-L852 HydrophobicContact CZ-CG 4.03Å; P849-L852 HydrophobicContact CB-CB 4.15Å; P849-L852 WeakPolarHBondContact O-CB 3.21Å; P849-L852 PolarHBondContact O-N 3.04Å; K850-L852 VanDerWaalsContact C-N 3.25Å; K850-L852 PolarHBondContact O-N 3.29Å; L852-F854 VanDerWaalsContact C-N 3.34Å; L852-F854 PolarHBondContact O-N 3.47Å; L852-E855 PolarHBondContact O-N 2.91Å; L852-A856 HydrophobicContact CD2-CB 4.49Å; L852-A856 HydrophobicContact CG-CB 3.92Å; L852-A856 WeakPolarHBondContact O-CB 3.32Å; L852-A856 PolarHBondContact O-N 3.34Å
853	E	92.9	Very high	92.5	Very high	35 Å²	35	69.9 Å²	69.9	16%	0.164	34%	0.339	C	S	.	.	H	α-helix	trans	-49.8	-47.8	-169.5	-170.3	-150.1	144.3	0	0	114.2	S839 K843 F848 K850 S857	S839-E853 WeakPolarHBondContact CB-OE1 3.11Å; S839-E853 PolarHBondContact OG-OE1 3.47Å; K843-E853 WeakPolarHBondContact CE-OE1 3.32Å; K843-E853 WeakPolarHBondContact CE-OE2 3.34Å; K843-E853 HydrophobicContact CG-CG 4.4Å; K843-E853 IonicContact NZ-OE1 2.85Å; K843-E853 PolarHBondContact NZ-OE1 2.89Å; K843-E853 IonicContact NZ-OE2 3.93Å; K843-E853 PolarHBondContact NZ-OE2 3.09Å; F848-E853 HydrophobicContact CE1-CB 3.97Å; F848-E853 HydrophobicContact CE1-CG 4.44Å; K850-E853 VanDerWaalsContact O-CB 3.23Å; K850-E853 WeakPolarHBondContact O-CB 3.36Å; K850-E853 PolarHBondContact O-N 3.28Å; E853-S857 WeakPolarHBondContact O-CB 3.3Å; E853-S857 PolarHBondContact O-N 3.07Å; E853-S857 PolarHBondContact O-OG 2.85Å
854	F	93.7	Very high	92.6	Very high	122 Å²	122	63.6 Å²	63.6	54%	0.535	31%	0.312	S	S	.	.	H	α-helix	trans	-69.1	-46.9	-176.7	-174.1	-91.7	0	0	0	111.9	L852 S857 K858	L852-F854 VanDerWaalsContact C-N 3.34Å; L852-F854 PolarHBondContact O-N 3.47Å; F854-S857 PolarHBondContact O-OG 3.02Å; F854-S857 VanDerWaalsContact O-OG 3.1Å; F854-K858 VanDerWaalsContact O-CB 3.31Å; F854-K858 WeakPolarHBondContact O-CB 3.45Å; F854-K858 PolarHBondContact O-N 3.4Å; F854-K858 VanDerWaalsContact O-N 3.07Å
855	E	95.3	Very high	92.7	Very high	104 Å²	104	60.5 Å²	60.5	49%	0.486	29%	0.293	S	S	.	.	H	α-helix	trans	-66.4	-45	179.1	-65.4	-175.8	168.9	0	0	111.2	V805 L852 K858 Y859	V805-E855 HydrophobicContact CG2-CB 3.96Å; L852-E855 PolarHBondContact O-N 2.91Å; E855-K858 PolarHBondContact O-N 3.43Å; E855-Y859 VanDerWaalsContact O-CB 3.3Å; E855-Y859 WeakPolarHBondContact O-CB 3.34Å; E855-Y859 PolarHBondContact O-N 3.42Å
856	A	95.8	Very high	92.8	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-60.8	-50.8	176.9	0	0	0	0	0	112.4	L809 L842 F848 L852 K858 Y859 L860	L809-A856 HydrophobicContact CD1-CB 4.19Å; L809-A856 HydrophobicContact CD2-CB 3.53Å; L809-A856 HydrophobicContact CG-CB 4.06Å; L842-A856 HydrophobicContact CD1-CB 3.84Å; F848-A856 HydrophobicContact CE2-CB 4.21Å; F848-A856 HydrophobicContact CZ-CB 3.67Å; L852-A856 HydrophobicContact CD2-CB 4.49Å; L852-A856 HydrophobicContact CG-CB 3.92Å; L852-A856 WeakPolarHBondContact O-CB 3.32Å; L852-A856 PolarHBondContact O-N 3.34Å; A856-K858 VanDerWaalsContact C-N 3.28Å; A856-K858 PolarHBondContact O-N 3.15Å; A856-Y859 PolarHBondContact O-N 2.96Å; A856-L860 WeakPolarHBondContact O-CB 3.08Å; A856-L860 WeakPolarHBondContact O-CG 3.36Å; A856-L860 PolarHBondContact O-N 2.85Å
857	S	96.5	Very high	93.2	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63	-37	-179.9	59.8	0	0	0	0	111.9	R835 E853 F854 M861	R835-S857 WeakPolarHBondContact CG-OG 3.38Å; E853-S857 WeakPolarHBondContact O-CB 3.3Å; E853-S857 PolarHBondContact O-N 3.07Å; E853-S857 PolarHBondContact O-OG 2.85Å; F854-S857 PolarHBondContact O-OG 3.02Å; F854-S857 VanDerWaalsContact O-OG 3.1Å; S857-M861 WeakPolarHBondContact O-CB 3.31Å; S857-M861 PolarHBondContact O-N 2.95Å
858	K	96.6	Very high	93.4	Very high	114 Å²	114	49.9 Å²	49.9	50%	0.496	23%	0.229	S	C	.	.	H	α-helix	trans	-65.6	-47.4	174.9	-176.9	-176.9	175.5	-172.4	0	111.3	F854 E855 A856 Q862	F854-K858 VanDerWaalsContact O-CB 3.31Å; F854-K858 WeakPolarHBondContact O-CB 3.45Å; F854-K858 PolarHBondContact O-N 3.4Å; F854-K858 VanDerWaalsContact O-N 3.07Å; E855-K858 PolarHBondContact O-N 3.43Å; A856-K858 VanDerWaalsContact C-N 3.28Å; A856-K858 PolarHBondContact O-N 3.15Å; K858-Q862 PolarHBondContact O-N 2.88Å
859	Y	96.6	Very high	93.2	Very high	19 Å²	19	49.8 Å²	49.8	8%	0.075	23%	0.233	C	C	.	.	H	α-helix	trans	-61	-53	178.4	175.3	-89.4	0	0	0	111.7	R795 D798 V805 A806 L809 E855 A856 M861 Q862 K863	R795-Y859 WeakPolarHBondContact CA-OH 3.18Å; R795-Y859 HydrophobicContact CB-CE1 4.15Å; R795-Y859 HydrophobicContact CG-CE1 4.03Å; D798-Y859 HydrophobicContact CB-CE2 4.48Å; D798-Y859 WeakPolarHBondContact OD2-CE2 3.49Å; D798-Y859 PolarHBondContact OD2-OH 2.9Å; D798-Y859 VanDerWaalsContact OD2-OH 3.13Å; V805-Y859 HydrophobicContact CG1-CD2 3.69Å; V805-Y859 HydrophobicContact CG1-CE2 4.37Å; V805-Y859 HydrophobicContact CG1-CG 4.03Å; V805-Y859 HydrophobicContact CG2-CG 4.4Å; A806-Y859 HydrophobicContact CB-CE2 4.28Å; L809-Y859 HydrophobicContact CD1-CD1 3.32Å; L809-Y859 HydrophobicContact CD1-CE1 3.96Å; L809-Y859 HydrophobicContact CD1-CG 4.05Å; E855-Y859 VanDerWaalsContact O-CB 3.3Å; E855-Y859 WeakPolarHBondContact O-CB 3.34Å; E855-Y859 PolarHBondContact O-N 3.42Å; A856-Y859 PolarHBondContact O-N 2.96Å; Y859-M861 VanDerWaalsContact C-N 3.32Å; Y859-M861 PolarHBondContact O-N 3.06Å; Y859-Q862 PolarHBondContact O-N 2.9Å; Y859-Q862 VanDerWaalsContact O-N 3.16Å; Y859-K863 HydrophobicContact CD1-CG 4.29Å; Y859-K863 HydrophobicContact CE1-CG 3.76Å; Y859-K863 HydrophobicContact CE2-CG 4.14Å; Y859-K863 PolarHBondContact O-N 2.89Å; Y859-K863 VanDerWaalsContact OH-CE 3.31Å; Y859-K863 WeakPolarHBondContact OH-CE 3.46Å
860	L	96.7	Very high	93.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.1	-37.4	-179.7	-68.7	178.5	0	0	0	111.8	I791 L809 V813 V817 I838 L842 A856 K863 T864	I791-L860 HydrophobicContact CG2-CD2 3.85Å; L809-L860 HydrophobicContact CD1-CD2 4.05Å; L809-L860 HydrophobicContact CD1-CG 3.98Å; L809-L860 HydrophobicContact CD2-CD1 4.2Å; V813-L860 HydrophobicContact CG2-CD2 3.86Å; V817-L860 HydrophobicContact CG1-CD1 4.04Å; I838-L860 HydrophobicContact CD1-CB 4.05Å; I838-L860 HydrophobicContact CG2-CB 4.01Å; I838-L860 HydrophobicContact CG2-CD1 3.96Å; L842-L860 HydrophobicContact CD1-CD1 4.31Å; L842-L860 HydrophobicContact CD2-CD1 4.18Å; A856-L860 WeakPolarHBondContact O-CB 3.08Å; A856-L860 WeakPolarHBondContact O-CG 3.36Å; A856-L860 PolarHBondContact O-N 2.85Å; L860-K863 PolarHBondContact O-N 2.92Å; L860-T864 VanDerWaalsContact O-CB 3.29Å; L860-T864 WeakPolarHBondContact O-CB 3.41Å; L860-T864 PolarHBondContact O-N 2.86Å; L860-T864 PolarHBondContact O-OG1 2.72Å
861	M	95.4	Very high	93.1	Very high	17 Å²	17	46.1 Å²	46.1	8%	0.084	22%	0.216	C	C	.	.	H	α-helix	trans	-57.7	-51.7	172.6	176.1	-84.2	-59.3	0	0	110.3	R831 A834 R835 I838 S857 Y859 K863 T864 F865	R831-M861 HydrophobicContact CB-CE 4.05Å; R831-M861 HydrophobicContact CB-SD 3.69Å; R831-M861 HydrophobicContact CG-CE 4.45Å; R831-M861 HydrophobicContact CG-SD 3.7Å; A834-M861 HydrophobicContact CB-CG 3.7Å; R835-M861 HydrophobicContact CB-CB 4.28Å; R835-M861 HydrophobicContact CB-CG 4.29Å; I838-M861 HydrophobicContact CD1-CB 3.95Å; S857-M861 WeakPolarHBondContact O-CB 3.31Å; S857-M861 PolarHBondContact O-N 2.95Å; Y859-M861 VanDerWaalsContact C-N 3.32Å; Y859-M861 PolarHBondContact O-N 3.06Å; M861-K863 PolarHBondContact O-N 2.49Å; M861-T864 WeakPolarHBondContact O-CB 3.33Å; M861-T864 PolarHBondContact O-N 3.04Å; M861-T864 VanDerWaalsContact O-N 3.17Å; M861-F865 HydrophobicContact CG-CD2 4.03Å; M861-F865 HydrophobicContact CG-CE2 3.89Å; M861-F865 VanDerWaalsContact O-CD2 3.31Å; M861-F865 WeakPolarHBondContact O-CD2 3.42Å; M861-F865 PolarHBondContact O-N 3.25Å; M861-F865 VanDerWaalsContact O-N 3.07Å; M861-F865 HydrophobicContact SD-CD2 3.64Å; M861-F865 HydrophobicContact SD-CE2 3.78Å
862	Q	95.5	Very high	93	Very high	97 Å²	97	40.2 Å²	40.2	45%	0.453	19%	0.188	S	C	.	.	H	α-helix	trans	-58.9	-49.5	-179.9	176.7	171.1	-6.4	0	0	111.8	K858 Y859 T864 F865 E866	K858-Q862 PolarHBondContact O-N 2.88Å; Y859-Q862 PolarHBondContact O-N 2.9Å; Y859-Q862 VanDerWaalsContact O-N 3.16Å; Q862-T864 VanDerWaalsContact C-N 3.28Å; Q862-T864 PolarHBondContact O-N 2.87Å; Q862-F865 PolarHBondContact O-N 3.4Å; Q862-E866 WeakPolarHBondContact CG-OE1 3.33Å; Q862-E866 PolarHBondContact NE2-OE1 3.09Å; Q862-E866 WeakPolarHBondContact O-CG 3.42Å; Q862-E866 PolarHBondContact O-N 2.71Å
863	K	95.3	Very high	92.9	Very high	22 Å²	22	43.9 Å²	43.9	10%	0.096	21%	0.213	C	C	.	.	H	α-helix	trans	-63.3	-32.8	177.5	-64.3	-56.3	-176.6	174.2	0	112.8	I791 K794 D798 Y859 L860 M861 E866 S867	I791-K863 HydrophobicContact CG1-CB 4.3Å; I791-K863 HydrophobicContact CG2-CB 3.95Å; K794-K863 HydrophobicContact CB-CD 4.19Å; K794-K863 HydrophobicContact CD-CD 4.26Å; D798-K863 IonicContact OD1-NZ 2.58Å; D798-K863 PolarHBondContact OD1-NZ 3.26Å; D798-K863 WeakPolarHBondContact OD2-CE 3.48Å; D798-K863 IonicContact OD2-NZ 3.84Å; D798-K863 PolarHBondContact OD2-NZ 3.4Å; Y859-K863 HydrophobicContact CD1-CG 4.29Å; Y859-K863 HydrophobicContact CE1-CG 3.76Å; Y859-K863 HydrophobicContact CE2-CG 4.14Å; Y859-K863 PolarHBondContact O-N 2.89Å; Y859-K863 VanDerWaalsContact OH-CE 3.31Å; Y859-K863 WeakPolarHBondContact OH-CE 3.46Å; L860-K863 PolarHBondContact O-N 2.92Å; M861-K863 PolarHBondContact O-N 2.49Å; K863-E866 WeakPolarHBondContact CD-OE2 3.29Å; K863-E866 IonicContact NZ-OE2 3.66Å; K863-E866 PolarHBondContact O-N 3.4Å; K863-S867 VanDerWaalsContact O-CB 3.25Å; K863-S867 WeakPolarHBondContact O-CB 3.32Å; K863-S867 PolarHBondContact O-N 3.36Å; K863-S867 PolarHBondContact O-OG 2.71Å
864	T	94.1	Very high	92.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.8	-47	174.1	-57.3	0	0	0	0	111.2	I791 T821 V822 L860 M861 Q862 S867 L868	I791-T864 HydrophobicContact CD1-CG2 4.46Å; I791-T864 WeakPolarHBondContact CD1-OG1 3.29Å; T821-T864 HydrophobicContact CG2-CG2 3.95Å; V822-T864 HydrophobicContact CG2-CG2 4.09Å; L860-T864 VanDerWaalsContact O-CB 3.29Å; L860-T864 WeakPolarHBondContact O-CB 3.41Å; L860-T864 PolarHBondContact O-N 2.86Å; L860-T864 PolarHBondContact O-OG1 2.72Å; M861-T864 WeakPolarHBondContact O-CB 3.33Å; M861-T864 PolarHBondContact O-N 3.04Å; M861-T864 VanDerWaalsContact O-N 3.17Å; Q862-T864 VanDerWaalsContact C-N 3.28Å; Q862-T864 PolarHBondContact O-N 2.87Å; T864-S867 PolarHBondContact O-N 3.4Å; T864-L868 HydrophobicContact CG2-CD1 3.96Å; T864-L868 HydrophobicContact CG2-CG 4.42Å; T864-L868 WeakPolarHBondContact O-CB 3.44Å; T864-L868 VanDerWaalsContact O-CG 3.31Å; T864-L868 WeakPolarHBondContact O-CG 3.29Å; T864-L868 PolarHBondContact O-N 2.85Å
865	F	92.1	Very high	92.7	Very high	53 Å²	53	37.6 Å²	37.6	23%	0.232	19%	0.189	C	C	.	.	H	α-helix	trans	-64.7	-39.7	177	-83.6	-85.2	0	0	0	112.4	T825 V829 R831 A834 M861 Q862 G869	T825-F865 HydrophobicContact CG2-CD1 4.12Å; T825-F865 HydrophobicContact CG2-CE1 3.66Å; T825-F865 HydrophobicContact CG2-CZ 4.23Å; V829-F865 HydrophobicContact CG1-CZ 4.39Å; R831-F865 HydrophobicContact CG-CD2 4.37Å; R831-F865 HydrophobicContact CG-CE2 4Å; R831-F865 HydrophobicContact CG-CZ 4.23Å; A834-F865 HydrophobicContact CB-CE2 3.69Å; A834-F865 HydrophobicContact CB-CZ 4.2Å; M861-F865 HydrophobicContact CG-CD2 4.03Å; M861-F865 HydrophobicContact CG-CE2 3.89Å; M861-F865 VanDerWaalsContact O-CD2 3.31Å; M861-F865 WeakPolarHBondContact O-CD2 3.42Å; M861-F865 PolarHBondContact O-N 3.25Å; M861-F865 VanDerWaalsContact O-N 3.07Å; M861-F865 HydrophobicContact SD-CD2 3.64Å; M861-F865 HydrophobicContact SD-CE2 3.78Å; Q862-F865 PolarHBondContact O-N 3.4Å; F865-G869 PolarHBondContact O-N 3.48Å
866	E	92.4	Very high	92.5	Very high	75 Å²	75	39.9 Å²	39.9	35%	0.35	19%	0.193	S	C	.	.	H	α-helix	trans	-63.1	-48.8	175.6	-71.5	170.7	-164.4	0	0	111.3	Q862 K863 G869 Q870	Q862-E866 WeakPolarHBondContact CG-OE1 3.33Å; Q862-E866 PolarHBondContact NE2-OE1 3.09Å; Q862-E866 WeakPolarHBondContact O-CG 3.42Å; Q862-E866 PolarHBondContact O-N 2.71Å; K863-E866 WeakPolarHBondContact CD-OE2 3.29Å; K863-E866 IonicContact NZ-OE2 3.66Å; K863-E866 PolarHBondContact O-N 3.4Å; E866-G869 PolarHBondContact O-N 2.78Å; E866-Q870 PolarHBondContact O-N 3.26Å
867	S	92.6	Very high	92.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.2	-44.3	178.1	-69.4	0	0	0	0	112.6	L790 K863 T864 Q870 M871	L790-S867 WeakPolarHBondContact CG-OG 3.29Å; K863-S867 VanDerWaalsContact O-CB 3.25Å; K863-S867 WeakPolarHBondContact O-CB 3.32Å; K863-S867 PolarHBondContact O-N 3.36Å; K863-S867 PolarHBondContact O-OG 2.71Å; T864-S867 PolarHBondContact O-N 3.4Å; S867-Q870 PolarHBondContact O-N 2.83Å; S867-M871 WeakPolarHBondContact O-CG 3.27Å; S867-M871 PolarHBondContact O-N 3.09Å
868	L	89.7	Confident	92.4	Very high	17 Å²	17	41.9 Å²	41.9	9%	0.089	21%	0.21	C	C	.	.	H	α-helix	trans	-64	-41.1	175.3	-73.7	172.6	0	0	0	112	V787 V822 T825 T864 Q870 M871 F872	V787-L868 HydrophobicContact CG2-CD2 3.87Å; V822-L868 HydrophobicContact CG1-CD2 4.05Å; V822-L868 HydrophobicContact CG2-CD1 4.44Å; V822-L868 HydrophobicContact CG2-CD2 4.37Å; T825-L868 HydrophobicContact CG2-CD1 3.79Å; T864-L868 HydrophobicContact CG2-CD1 3.96Å; T864-L868 HydrophobicContact CG2-CG 4.42Å; T864-L868 WeakPolarHBondContact O-CB 3.44Å; T864-L868 VanDerWaalsContact O-CG 3.31Å; T864-L868 WeakPolarHBondContact O-CG 3.29Å; T864-L868 PolarHBondContact O-N 2.85Å; L868-Q870 VanDerWaalsContact C-N 3.26Å; L868-Q870 PolarHBondContact O-N 3.4Å; L868-M871 PolarHBondContact O-N 2.96Å; L868-F872 HydrophobicContact CD2-CD2 4.12Å; L868-F872 HydrophobicContact CD2-CE2 4.2Å; L868-F872 PolarHBondContact O-N 2.99Å
869	G	87.6	Confident	92.3	Very high	16 Å²	16	38.6 Å²	38.6	17%	0.165	20%	0.196	C	C	.	.	H	α-helix	trans	-65.2	-29.9	176.9	0	0	0	0	0	113.4	F865 E866	F865-G869 PolarHBondContact O-N 3.48Å; E866-G869 PolarHBondContact O-N 2.78Å
870	Q	86.6	Confident	92.2	Very high	119 Å²	119	42.5 Å²	42.5	56%	0.556	22%	0.215	S	C	*	.	H	α-helix	trans	-74.8	-43.8	173.9	-179.2	179.1	-11.7	0	0	111.8	E866 S867 L868	E866-Q870 PolarHBondContact O-N 3.26Å; S867-Q870 PolarHBondContact O-N 2.83Å; L868-Q870 VanDerWaalsContact C-N 3.26Å; L868-Q870 PolarHBondContact O-N 3.4Å
871	M	87.1	Confident	92.2	Very high	29 Å²	29	43.2 Å²	43.2	14%	0.143	22%	0.218	C	C	.	.	H	α-helix	trans	-77.3	-28.8	-176.8	-69.5	179.5	69.9	0	0	113.9	V787 L790 S867 L868	V787-M871 HydrophobicContact CB-SD 4.49Å; V787-M871 HydrophobicContact CG2-CE 4.28Å; V787-M871 HydrophobicContact CG2-SD 3.63Å; L790-M871 HydrophobicContact CD2-CG 3.86Å; L790-M871 HydrophobicContact CD2-SD 4.01Å; S867-M871 WeakPolarHBondContact O-CG 3.27Å; S867-M871 PolarHBondContact O-N 3.09Å; L868-M871 PolarHBondContact O-N 2.96Å
872	F	89.2	Confident	92.3	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.026	21%	0.214	C	C	.	.			trans	-130.9	60.8	-173.3	-59.5	-83.2	0	0	0	111.2	L756 G768 H771 V772 V783 L868 S874 A875 R876	L756-F872 HydrophobicContact CB-CE1 4.42Å; L756-F872 HydrophobicContact CD1-CD2 4.35Å; L756-F872 HydrophobicContact CD1-CE1 4.04Å; L756-F872 HydrophobicContact CD1-CE2 3.79Å; L756-F872 HydrophobicContact CD1-CZ 3.62Å; L756-F872 HydrophobicContact CD2-CB 4.44Å; L756-F872 HydrophobicContact CD2-CD1 3.85Å; L756-F872 HydrophobicContact CD2-CD2 4.05Å; L756-F872 HydrophobicContact CD2-CE1 4.06Å; L756-F872 HydrophobicContact CD2-CE2 4.28Å; L756-F872 HydrophobicContact CD2-CG 3.84Å; L756-F872 HydrophobicContact CD2-CZ 4.3Å; L756-F872 HydrophobicContact CG-CE1 4.41Å; L756-F872 HydrophobicContact CG-CZ 4.45Å; G768-F872 VanDerWaalsContact CA-CE1 3.46Å; H771-F872 HydrophobicContact CB-CZ 4.29Å; V772-F872 HydrophobicContact CG1-CE1 4.16Å; V772-F872 HydrophobicContact CG1-CZ 4.19Å; V783-F872 HydrophobicContact CG2-CE2 3.91Å; V783-F872 HydrophobicContact CG2-CZ 3.66Å; L868-F872 HydrophobicContact CD2-CD2 4.12Å; L868-F872 HydrophobicContact CD2-CE2 4.2Å; L868-F872 PolarHBondContact O-N 2.99Å; F872-S874 PolarHBondContact O-N 2.82Å; F872-A875 HydrophobicContact CB-CB 3.85Å; F872-A875 WeakPolarHBondContact O-CB 3.4Å; F872-A875 PolarHBondContact O-N 3.38Å; F872-R876 PolarHBondContact O-N 2.81Å; F872-R876 VanDerWaalsContact O-N 3.13Å
873	S	88.7	Confident	92.4	Very high	76 Å²	76	39.7 Å²	39.7	53%	0.531	20%	0.204	S	C	.	.	H	α-helix	trans	-62.4	-40.3	-177.4	59.7	0	0	0	0	112.4	R876 A877	S873-R876 WeakPolarHBondContact O-CB 3.12Å; S873-R876 PolarHBondContact O-N 2.76Å; S873-A877 PolarHBondContact O-N 3.13Å
874	S	91	Very high	92.4	Very high	20 Å²	20	42.3 Å²	42.3	14%	0.14	22%	0.217	C	C	.	.	H	α-helix	trans	-62.6	-42.5	175.6	-60.4	0	0	0	0	112.1	F872 R876 A877 I878	F872-S874 PolarHBondContact O-N 2.82Å; S874-R876 VanDerWaalsContact C-N 3.32Å; S874-R876 PolarHBondContact O-N 3.27Å; S874-A877 PolarHBondContact O-N 2.83Å; S874-I878 WeakPolarHBondContact O-CG1 3.47Å; S874-I878 PolarHBondContact O-N 3.25Å
875	A	91.2	Very high	92.6	Very high	5 Å²	5	42.4 Å²	42.4	4%	0.041	22%	0.217	C	C	.	.	H	α-helix	trans	-59.4	-44.8	175.5	0	0	0	0	0	111.2	Y759 F872 A877 I878 Q879	Y759-A875 HydrophobicContact CD1-CB 4Å; Y759-A875 HydrophobicContact CD2-CB 4.21Å; Y759-A875 HydrophobicContact CG-CB 3.69Å; F872-A875 HydrophobicContact CB-CB 3.85Å; F872-A875 WeakPolarHBondContact O-CB 3.4Å; F872-A875 PolarHBondContact O-N 3.38Å; A875-A877 PolarHBondContact O-N 2.88Å; A875-I878 PolarHBondContact O-N 3.36Å; A875-Q879 WeakPolarHBondContact O-CB 3.36Å; A875-Q879 VanDerWaalsContact O-CG 3.29Å; A875-Q879 WeakPolarHBondContact O-CG 3.49Å; A875-Q879 PolarHBondContact O-N 3.37Å
876	R	91.4	Very high	92.9	Very high	152 Å²	152	39.9 Å²	39.9	57%	0.574	21%	0.206	S	C	*	.	H	α-helix	trans	-62.5	-41.8	177.3	-177.6	179.2	173.1	178.1	-2.6	112	F872 S873 S874 Q879 Q880	F872-R876 PolarHBondContact O-N 2.81Å; F872-R876 VanDerWaalsContact O-N 3.13Å; S873-R876 WeakPolarHBondContact O-CB 3.12Å; S873-R876 PolarHBondContact O-N 2.76Å; S874-R876 VanDerWaalsContact C-N 3.32Å; S874-R876 PolarHBondContact O-N 3.27Å; R876-Q879 PolarHBondContact O-N 3.23Å; R876-Q880 WeakPolarHBondContact O-CB 3.42Å; R876-Q880 PolarHBondContact O-N 3.32Å
877	A	94.2	Very high	93.1	Very high	42 Å²	42	37.3 Å²	37.3	35%	0.347	20%	0.196	S	C	.	.	H	α-helix	trans	-62.1	-45.4	177.4	0	0	0	0	0	111.6	S873 S874 A875 Q880 W881 P1053	S873-A877 PolarHBondContact O-N 3.13Å; S874-A877 PolarHBondContact O-N 2.83Å; A875-A877 PolarHBondContact O-N 2.88Å; A877-Q880 PolarHBondContact O-N 2.9Å; A877-W881 WeakPolarHBondContact O-CB 3.37Å; A877-W881 PolarHBondContact O-N 2.89Å; A877-P1053 HydrophobicContact CB-CB 4.34Å
878	I	96.1	Very high	93.2	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-62.9	-46.2	176.1	-64.3	165	0	0	0	111	Y759 L762 S874 A875 Q880 W881 L882 L1017 P1053	Y759-I878 HydrophobicContact CD1-CB 4.29Å; Y759-I878 HydrophobicContact CD1-CD1 4.44Å; Y759-I878 HydrophobicContact CD1-CG2 4.24Å; Y759-I878 HydrophobicContact CE1-CB 4.31Å; Y759-I878 HydrophobicContact CE1-CG2 4.01Å; L762-I878 HydrophobicContact CB-CD1 3.88Å; S874-I878 WeakPolarHBondContact O-CG1 3.47Å; S874-I878 PolarHBondContact O-N 3.25Å; A875-I878 PolarHBondContact O-N 3.36Å; I878-Q880 VanDerWaalsContact C-N 3.31Å; I878-Q880 PolarHBondContact O-N 3.23Å; I878-W881 PolarHBondContact O-N 3.31Å; I878-L882 HydrophobicContact CG2-CD1 3.97Å; I878-L882 HydrophobicContact CG2-CG 4.35Å; I878-L882 WeakPolarHBondContact O-CG 3.23Å; I878-L882 PolarHBondContact O-N 2.89Å; I878-L1017 HydrophobicContact CD1-CD1 4.28Å; I878-L1017 HydrophobicContact CG1-CD1 4.21Å; I878-L1017 HydrophobicContact CG2-CD2 4.45Å; I878-P1053 HydrophobicContact CB-CG 4.5Å; I878-P1053 HydrophobicContact CG1-CB 4Å; I878-P1053 HydrophobicContact CG1-CG 3.99Å
879	Q	94.4	Very high	93.4	Very high	45 Å²	45	37.1 Å²	37.1	21%	0.21	20%	0.195	C	C	.	.	H	α-helix	trans	-58.9	-43.1	177.3	-76.3	-178.7	-26.1	0	0	112.3	Y759 V826 A875 R876 T883 P957	Y759-Q879 HydrophobicContact CE1-CG 3.68Å; Y759-Q879 HydrophobicContact CE2-CG 4.36Å; Y759-Q879 VanDerWaalsContact CZ-CG 3.49Å; Y759-Q879 VanDerWaalsContact OH-CG 3.22Å; Y759-Q879 WeakPolarHBondContact OH-CG 3.32Å; Y759-Q879 PolarHBondContact OH-NE2 3.42Å; V826-Q879 PolarHBondContact O-NE2 3.23Å; A875-Q879 WeakPolarHBondContact O-CB 3.36Å; A875-Q879 VanDerWaalsContact O-CG 3.29Å; A875-Q879 WeakPolarHBondContact O-CG 3.49Å; A875-Q879 PolarHBondContact O-N 3.37Å; R876-Q879 PolarHBondContact O-N 3.23Å; Q879-T883 VanDerWaalsContact O-CB 3.22Å; Q879-T883 WeakPolarHBondContact O-CB 3.36Å; Q879-T883 PolarHBondContact O-N 2.99Å; Q879-T883 PolarHBondContact O-OG1 3.31Å; Q879-P957 HydrophobicContact CB-CB 4.37Å; Q879-P957 HydrophobicContact CG-CB 4.06Å
880	Q	94.7	Very high	93.7	Very high	101 Å²	101	36.8 Å²	36.8	47%	0.472	19%	0.19	S	C	.	.	H	α-helix	trans	-64.7	-47.5	178.4	178.7	170	-5.6	0	0	111.1	R876 A877 I878 L882 T883 E884	R876-Q880 WeakPolarHBondContact O-CB 3.42Å; R876-Q880 PolarHBondContact O-N 3.32Å; A877-Q880 PolarHBondContact O-N 2.9Å; I878-Q880 VanDerWaalsContact C-N 3.31Å; I878-Q880 PolarHBondContact O-N 3.23Å; Q880-L882 PolarHBondContact O-N 3.31Å; Q880-T883 WeakPolarHBondContact O-CB 3.49Å; Q880-T883 PolarHBondContact O-N 3.3Å; Q880-E884 HydrophobicContact CG-CG 4.49Å; Q880-E884 WeakPolarHBondContact CG-OE1 3.22Å; Q880-E884 PolarHBondContact NE2-OE1 3.47Å; Q880-E884 WeakPolarHBondContact O-CG 3.03Å; Q880-E884 PolarHBondContact O-N 3.34Å
881	W	97.7	Very high	93.9	Very high	14 Å²	14	36.6 Å²	36.6	5%	0.053	19%	0.187	C	C	.	.	H	α-helix	trans	-56.2	-53.6	176.8	178.9	68.7	0	0	0	111.5	A877 I878 T883 E884 L885 L1017 L1020 Q1048 D1051 L1052 P1053	A877-W881 WeakPolarHBondContact O-CB 3.37Å; A877-W881 PolarHBondContact O-N 2.89Å; I878-W881 PolarHBondContact O-N 3.31Å; W881-T883 VanDerWaalsContact C-N 3.3Å; W881-T883 PolarHBondContact O-N 3Å; W881-E884 PolarHBondContact O-N 3.4Å; W881-E884 VanDerWaalsContact O-N 3.09Å; W881-L885 HydrophobicContact CD2-CD1 4.12Å; W881-L885 HydrophobicContact CD2-CG 4.32Å; W881-L885 HydrophobicContact CE3-CD1 4.48Å; W881-L885 HydrophobicContact CH2-CD1 4.08Å; W881-L885 HydrophobicContact CZ2-CD1 3.69Å; W881-L885 HydrophobicContact CZ3-CD1 4.45Å; W881-L885 VanDerWaalsContact O-CG 3.26Å; W881-L885 WeakPolarHBondContact O-CG 3.22Å; W881-L885 PolarHBondContact O-N 3.23Å; W881-L1017 HydrophobicContact CZ3-CB 4.45Å; W881-L1017 HydrophobicContact CZ3-CD2 4.1Å; W881-L1020 HydrophobicContact CH2-CD2 4.28Å; W881-L1020 HydrophobicContact CZ3-CD2 4Å; W881-Q1048 PolarHBondContact NE1-O 2.97Å; W881-D1051 PolarHBondContact NE1-O 3.48Å; W881-L1052 HydrophobicContact CH2-CG 4.35Å; W881-L1052 HydrophobicContact CZ2-CD1 4.31Å; W881-L1052 HydrophobicContact CZ2-CG 4.17Å; W881-P1053 HydrophobicContact CB-CG 3.75Å; W881-P1053 HydrophobicContact CD2-CG 4.08Å; W881-P1053 HydrophobicContact CE3-CG 4.17Å; W881-P1053 HydrophobicContact CG-CG 3.94Å
882	L	97.8	Very high	94	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-56.6	-43.2	176.7	-66.8	174.8	0	0	0	111.9	I878 Q880 E884 L885 A886 F956 P957 F960 L1020	I878-L882 HydrophobicContact CG2-CD1 3.97Å; I878-L882 HydrophobicContact CG2-CG 4.35Å; I878-L882 WeakPolarHBondContact O-CG 3.23Å; I878-L882 PolarHBondContact O-N 2.89Å; Q880-L882 PolarHBondContact O-N 3.31Å; L882-E884 VanDerWaalsContact C-N 3.34Å; L882-E884 PolarHBondContact O-N 3.08Å; L882-L885 PolarHBondContact O-N 3.15Å; L882-A886 WeakPolarHBondContact O-CB 3.41Å; L882-A886 PolarHBondContact O-N 2.88Å; L882-F956 HydrophobicContact CB-CD1 3.96Å; L882-F956 HydrophobicContact CB-CE1 4.25Å; L882-F956 HydrophobicContact CB-CG 4.43Å; L882-F956 HydrophobicContact CD2-CD1 4.22Å; L882-F956 HydrophobicContact CD2-CE1 3.69Å; L882-F956 HydrophobicContact CD2-CE2 4.36Å; L882-F956 HydrophobicContact CD2-CZ 3.77Å; L882-F956 WeakPolarHBondContact O-CD1 3.45Å; L882-P957 HydrophobicContact CB-CG 4.01Å; L882-P957 HydrophobicContact CD1-CB 4.27Å; L882-F960 HydrophobicContact CD1-CB 4.22Å; L882-F960 HydrophobicContact CD1-CD1 3.88Å; L882-F960 HydrophobicContact CD1-CG 4.25Å; L882-L1020 HydrophobicContact CD2-CD2 3.62Å
883	T	96.2	Very high	93.9	Very high	41 Å²	41	37.8 Å²	37.8	25%	0.252	20%	0.196	S	C	.	.	H	α-helix	trans	-59	-43.8	177.2	-65.9	0	0	0	0	111.8	Q879 Q880 W881 S887 R953 P957	Q879-T883 VanDerWaalsContact O-CB 3.22Å; Q879-T883 WeakPolarHBondContact O-CB 3.36Å; Q879-T883 PolarHBondContact O-N 2.99Å; Q879-T883 PolarHBondContact O-OG1 3.31Å; Q880-T883 WeakPolarHBondContact O-CB 3.49Å; Q880-T883 PolarHBondContact O-N 3.3Å; W881-T883 VanDerWaalsContact C-N 3.3Å; W881-T883 PolarHBondContact O-N 3Å; T883-S887 PolarHBondContact O-N 3.19Å; T883-S887 VanDerWaalsContact O-N 3.16Å; T883-R953 HydrophobicContact CG2-CG 3.29Å; T883-R953 WeakPolarHBondContact O-CG 3.39Å; T883-P957 WeakPolarHBondContact OG1-CG 3.37Å
884	E	96.6	Very high	93.8	Very high	77 Å²	77	42.7 Å²	42.7	36%	0.36	20%	0.203	S	C	.	.	H	α-helix	trans	-66.4	-45.4	178	-72	169.2	-171	0	0	110.9	Q880 W881 L882 A886 S887 L888	Q880-E884 HydrophobicContact CG-CG 4.49Å; Q880-E884 WeakPolarHBondContact CG-OE1 3.22Å; Q880-E884 PolarHBondContact NE2-OE1 3.47Å; Q880-E884 WeakPolarHBondContact O-CG 3.03Å; Q880-E884 PolarHBondContact O-N 3.34Å; W881-E884 PolarHBondContact O-N 3.4Å; W881-E884 VanDerWaalsContact O-N 3.09Å; L882-E884 VanDerWaalsContact C-N 3.34Å; L882-E884 PolarHBondContact O-N 3.08Å; E884-A886 PolarHBondContact O-N 3.01Å; E884-S887 WeakPolarHBondContact O-CB 3.32Å; E884-S887 PolarHBondContact O-N 3.5Å; E884-S887 VanDerWaalsContact O-N 3.08Å; E884-L888 PolarHBondContact O-N 3.23Å; E884-L888 VanDerWaalsContact O-N 3.09Å
885	L	98.2	Very high	93.5	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-57.9	-46.9	176.4	-57.5	-155.3	0	0	0	111.8	W881 L882 S887 L888 I889 F956 L1024 F1049	W881-L885 HydrophobicContact CD2-CD1 4.12Å; W881-L885 HydrophobicContact CD2-CG 4.32Å; W881-L885 HydrophobicContact CE3-CD1 4.48Å; W881-L885 HydrophobicContact CH2-CD1 4.08Å; W881-L885 HydrophobicContact CZ2-CD1 3.69Å; W881-L885 HydrophobicContact CZ3-CD1 4.45Å; W881-L885 VanDerWaalsContact O-CG 3.26Å; W881-L885 WeakPolarHBondContact O-CG 3.22Å; W881-L885 PolarHBondContact O-N 3.23Å; L882-L885 PolarHBondContact O-N 3.15Å; L885-S887 VanDerWaalsContact C-N 3.27Å; L885-S887 PolarHBondContact O-N 3.36Å; L885-L888 PolarHBondContact O-N 3.32Å; L885-L888 VanDerWaalsContact O-N 3.1Å; L885-I889 WeakPolarHBondContact O-CG1 3.28Å; L885-I889 PolarHBondContact O-N 3.09Å; L885-F956 HydrophobicContact CB-CE1 4.35Å; L885-L1024 HydrophobicContact CD1-CD1 3.42Å; L885-L1024 VanDerWaalsContact CD1-CD1 3.42Å; L885-F1049 HydrophobicContact CB-CE1 4.3Å; L885-F1049 HydrophobicContact CD1-CD1 4.11Å; L885-F1049 HydrophobicContact CD2-CD1 3.73Å; L885-F1049 HydrophobicContact CD2-CE1 4.22Å; L885-F1049 HydrophobicContact CG-CD1 4.31Å
886	A	97.1	Very high	93.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.1	-34.2	176.9	0	0	0	0	0	113.2	L882 E884 S890 V897 F956	L882-A886 WeakPolarHBondContact O-CB 3.41Å; L882-A886 PolarHBondContact O-N 2.88Å; E884-A886 PolarHBondContact O-N 3.01Å; A886-S890 VanDerWaalsContact O-CB 3.31Å; A886-S890 WeakPolarHBondContact O-CB 3.43Å; A886-S890 PolarHBondContact O-N 2.89Å; A886-S890 PolarHBondContact O-OG 2.96Å; A886-V897 HydrophobicContact CB-CG2 3.75Å; A886-F956 HydrophobicContact CB-CB 3.86Å; A886-F956 HydrophobicContact CB-CD1 3.82Å; A886-F956 HydrophobicContact CB-CG 4.29Å
887	S	96.3	Very high	93.5	Very high	22 Å²	22	37 Å²	37	15%	0.154	18%	0.177	C	C	.	.	H	α-helix	trans	-66.3	-40.7	173.9	-179.4	0	0	0	0	111.6	T883 E884 L885 K891	T883-S887 PolarHBondContact O-N 3.19Å; T883-S887 VanDerWaalsContact O-N 3.16Å; E884-S887 WeakPolarHBondContact O-CB 3.32Å; E884-S887 PolarHBondContact O-N 3.5Å; E884-S887 VanDerWaalsContact O-N 3.08Å; L885-S887 VanDerWaalsContact C-N 3.27Å; L885-S887 PolarHBondContact O-N 3.36Å; S887-K891 VanDerWaalsContact O-CB 3.26Å; S887-K891 WeakPolarHBondContact O-CB 3.49Å; S887-K891 WeakPolarHBondContact O-CG 3.3Å; S887-K891 PolarHBondContact O-N 3.19Å; S887-K891 VanDerWaalsContact O-N 3.08Å; S887-K891 WeakPolarHBondContact OG-CE 3.37Å; S887-K891 PolarHBondContact OG-NZ 3.37Å; S887-K891 VanDerWaalsContact OG-NZ 3.15Å
888	L	95.7	Very high	93.4	Very high	13 Å²	13	36.3 Å²	36.3	7%	0.068	17%	0.167	C	C	.	.	H	α-helix	trans	-67.8	-48	179.2	-63.3	171.9	0	0	0	110.3	E884 L885 S890 D892 C893 Y1044 I1045 Q1048	E884-L888 PolarHBondContact O-N 3.23Å; E884-L888 VanDerWaalsContact O-N 3.09Å; L885-L888 PolarHBondContact O-N 3.32Å; L885-L888 VanDerWaalsContact O-N 3.1Å; L888-S890 PolarHBondContact O-N 2.81Å; L888-D892 WeakPolarHBondContact O-CA 3.45Å; L888-D892 WeakPolarHBondContact O-CB 3.41Å; L888-D892 PolarHBondContact O-N 3.33Å; L888-C893 PolarHBondContact O-N 3.35Å; L888-Y1044 HydrophobicContact CD2-CE1 4.06Å; L888-I1045 HydrophobicContact CB-CG1 4.43Å; L888-I1045 HydrophobicContact CB-CG2 4.33Å; L888-I1045 HydrophobicContact CD1-CG1 4.45Å; L888-I1045 HydrophobicContact CD1-CG2 4.42Å; L888-I1045 HydrophobicContact CD2-CG1 4.29Å; L888-Q1048 HydrophobicContact CD1-CB 3.7Å; L888-Q1048 HydrophobicContact CD1-CG 3.95Å
889	I	94.3	Very high	93.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.167	C	C	.	.	I	π-helix	trans	-57.5	-51	178	-65.9	165.2	0	0	0	111.1	L885 C893 R894 V897 L1024 Y1028 F1049	L885-I889 WeakPolarHBondContact O-CG1 3.28Å; L885-I889 PolarHBondContact O-N 3.09Å; I889-C893 CarbonylContact O-C 3.01Å; I889-C893 WeakPolarHBondContact O-CA 3.42Å; I889-C893 VanDerWaalsContact O-CB 3.23Å; I889-C893 WeakPolarHBondContact O-CB 3.2Å; I889-C893 PolarHBondContact O-N 2.96Å; I889-C893 VanDerWaalsContact O-N 3.15Å; I889-R894 PolarHBondContact O-N 3.42Å; I889-V897 HydrophobicContact CB-CG2 4.33Å; I889-V897 HydrophobicContact CD1-CG1 4.29Å; I889-V897 HydrophobicContact CD1-CG2 4.23Å; I889-V897 HydrophobicContact CG2-CG2 4.2Å; I889-L1024 HydrophobicContact CD1-CD2 3.91Å; I889-Y1028 HydrophobicContact CD1-CD2 4.21Å; I889-Y1028 HydrophobicContact CD1-CE2 3.94Å; I889-Y1028 HydrophobicContact CG1-CD2 4.23Å; I889-Y1028 HydrophobicContact CG1-CE2 4.3Å; I889-Y1028 HydrophobicContact CG1-CG 4.39Å; I889-Y1028 HydrophobicContact CG2-CD1 4.02Å; I889-Y1028 HydrophobicContact CG2-CE1 3.53Å; I889-Y1028 HydrophobicContact CG2-CE2 4.37Å; I889-F1049 HydrophobicContact CD1-CZ 4.28Å; I889-F1049 HydrophobicContact CG1-CE1 4.21Å; I889-F1049 HydrophobicContact CG1-CZ 3.75Å
890	S	92.3	Very high	93.3	Very high	8 Å²	8	38.1 Å²	38.1	6%	0.056	17%	0.174	C	C	.	.	I	π-helix	trans	-74.2	-33.1	-173.7	60.9	0	0	0	0	114.2	A886 L888 R894 S949	A886-S890 VanDerWaalsContact O-CB 3.31Å; A886-S890 WeakPolarHBondContact O-CB 3.43Å; A886-S890 PolarHBondContact O-N 2.89Å; A886-S890 PolarHBondContact O-OG 2.96Å; L888-S890 PolarHBondContact O-N 2.81Å; S890-R894 WeakPolarHBondContact O-CA 3.42Å; S890-S949 WeakPolarHBondContact OG-CA 3.27Å; S890-S949 WeakPolarHBondContact OG-CB 3.31Å
891	K	91.3	Very high	93.3	Very high	115 Å²	115	33.6 Å²	33.6	50%	0.5	15%	0.153	S	C	.	.	I	π-helix	trans	-88.3	-46.3	-178.9	-68.6	176.9	-179.2	163.5	0	112.7	S887	S887-K891 VanDerWaalsContact O-CB 3.26Å; S887-K891 WeakPolarHBondContact O-CB 3.49Å; S887-K891 WeakPolarHBondContact O-CG 3.3Å; S887-K891 PolarHBondContact O-N 3.19Å; S887-K891 VanDerWaalsContact O-N 3.08Å; S887-K891 WeakPolarHBondContact OG-CE 3.37Å; S887-K891 PolarHBondContact OG-NZ 3.37Å; S887-K891 VanDerWaalsContact OG-NZ 3.15Å
892	D	89.4	Confident	93.2	Very high	45 Å²	45	34.5 Å²	34.5	24%	0.241	16%	0.16	C	C	.	.	I	π-helix	trans	-88.3	-50	-172.8	-58.9	-95.1	0	0	0	110.8	L888 R1041 I1045	L888-D892 WeakPolarHBondContact O-CA 3.45Å; L888-D892 WeakPolarHBondContact O-CB 3.41Å; L888-D892 PolarHBondContact O-N 3.33Å; D892-R1041 IonicContact OD1-CZ 3.84Å; D892-R1041 VanDerWaalsContact OD1-CZ 3.28Å; D892-R1041 IonicContact OD1-NE 2.63Å; D892-R1041 PolarHBondContact OD1-NE 3.37Å; D892-R1041 IonicContact OD1-NH2 3.67Å; D892-R1041 PolarHBondContact OD1-NH2 3.11Å; D892-R1041 IonicContact OD2-NH2 2.68Å; D892-R1041 PolarHBondContact OD2-NH2 2.78Å; D892-R1041 VanDerWaalsContact OD2-NH2 3.14Å; D892-I1045 HydrophobicContact CB-CD1 3.69Å
893	C	87.3	Confident	93	Very high	15 Å²	15	34.6 Å²	34.6	10%	0.101	16%	0.161	C	C	.	.	I	π-helix	trans	-82.2	-15.2	179.3	-47.9	0	0	0	0	113.2	L888 I889 R895 Y1028	L888-C893 PolarHBondContact O-N 3.35Å; I889-C893 CarbonylContact O-C 3.01Å; I889-C893 WeakPolarHBondContact O-CA 3.42Å; I889-C893 VanDerWaalsContact O-CB 3.23Å; I889-C893 WeakPolarHBondContact O-CB 3.2Å; I889-C893 PolarHBondContact O-N 2.96Å; I889-C893 VanDerWaalsContact O-N 3.15Å; C893-R895 PolarHBondContact O-N 2.74Å; C893-Y1028 HydrophobicContact CB-CD1 4.19Å
894	R	86	Confident	92.8	Very high	179 Å²	179	34.6 Å²	34.6	68%	0.675	16%	0.159	S	C	*	.			trans	54.7	31.1	-179.5	-58.4	-176.7	176	179.7	2.1	114.4	I889 S890 P947	I889-R894 PolarHBondContact O-N 3.42Å; S890-R894 WeakPolarHBondContact O-CA 3.42Å; R894-P947 WeakPolarHBondContact O-CD 3.5Å
895	R	86.1	Confident	92.6	Very high	57 Å²	57	31 Å²	31	22%	0.215	14%	0.143	C	C	.	.	S	Bend	trans	-118.4	157.9	178.9	-71	177.8	66.4	-175.2	-1.9	111.2	M14 C893 Q898 P947 T1027 Y1028	M14-R895 HydrophobicContact CE-CG 4.24Å; C893-R895 PolarHBondContact O-N 2.74Å; R895-Q898 VanDerWaalsContact NH2-OE1 3.14Å; R895-P947 VanDerWaalsContact O-CG 3.29Å; R895-P947 WeakPolarHBondContact O-CG 3.37Å; R895-T1027 PolarHBondContact NH1-O 3.2Å; R895-Y1028 HydrophobicContact CB-CD1 4.49Å; R895-Y1028 HydrophobicContact CB-CE1 3.89Å
896	A	88.3	Confident	92.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.147	C	C	.	.			trans	-66.9	157	169.2	0	0	0	0	0	110.2	E511 V908 Q909 Y912 Y1028	E511-A896 PolarHBondContact OE1-N 3.04Å; E511-A896 VanDerWaalsContact OE1-N 3.15Å; E511-A896 WeakPolarHBondContact OE2-CB 3.2Å; A896-V908 HydrophobicContact CB-CG1 4.28Å; A896-Q909 WeakPolarHBondContact CB-O 3.21Å; A896-Y912 HydrophobicContact CB-CE1 4.35Å; A896-Y912 WeakPolarHBondContact CB-OH 3.38Å; A896-Y1028 PolarHBondContact O-OH 2.56Å
897	V	92.9	Very high	92.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.147	C	C	.	.			trans	-74.9	134.6	172.2	-178.4	0	0	0	0	109	A886 I889 W899 Q909 Q952 F956	A886-V897 HydrophobicContact CB-CG2 3.75Å; I889-V897 HydrophobicContact CB-CG2 4.33Å; I889-V897 HydrophobicContact CD1-CG1 4.29Å; I889-V897 HydrophobicContact CD1-CG2 4.23Å; I889-V897 HydrophobicContact CG2-CG2 4.2Å; V897-W899 HydrophobicContact CG1-CE3 4.19Å; V897-W899 HydrophobicContact CG1-CZ3 4.25Å; V897-Q909 HydrophobicContact CB-CG 4.16Å; V897-Q909 PolarHBondContact O-N 3.21Å; V897-Q952 HydrophobicContact CG2-CB 4.46Å; V897-F956 HydrophobicContact CG1-CD1 3.82Å; V897-F956 HydrophobicContact CG1-CD2 3.7Å; V897-F956 HydrophobicContact CG1-CE1 3.8Å; V897-F956 HydrophobicContact CG1-CE2 3.68Å; V897-F956 HydrophobicContact CG1-CG 3.79Å; V897-F956 HydrophobicContact CG1-CZ 3.73Å
898	Q	92.7	Very high	91.8	Very high	28 Å²	28	32.3 Å²	32.3	13%	0.131	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	147.9	-179.3	89	-167.4	37.3	0	0	110.1	R895 V907 V908 F1023 T1027 Y1028	R895-Q898 VanDerWaalsContact NH2-OE1 3.14Å; Q898-V907 CarbonylContact C-O 3.58Å; Q898-V907 WeakPolarHBondContact CA-O 3.39Å; Q898-V908 HydrophobicContact CB-CG2 4.12Å; Q898-F1023 HydrophobicContact CG-CE1 3.74Å; Q898-F1023 HydrophobicContact CG-CZ 3.95Å; Q898-F1023 VanDerWaalsContact O-CE1 3.27Å; Q898-F1023 WeakPolarHBondContact O-CE1 3.37Å; Q898-T1027 HydrophobicContact CG-CG2 4.18Å; Q898-T1027 VanDerWaalsContact NE2-CG2 3.26Å; Q898-Y1028 HydrophobicContact CG-CE2 4.48Å; Q898-Y1028 VanDerWaalsContact CG-OH 3.25Å; Q898-Y1028 WeakPolarHBondContact CG-OH 3.24Å; Q898-Y1028 PolarHBondContact N-OH 3.35Å
899	W	94.9	Very high	91.6	Very high	3 Å²	3	31.7 Å²	31.7	1%	0.011	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	171.6	173.5	68.3	100.1	0	0	0	110.5	V897 V907 Q909 F956 N959 F960 S963 L1020 F1023	V897-W899 HydrophobicContact CG1-CE3 4.19Å; V897-W899 HydrophobicContact CG1-CZ3 4.25Å; W899-V907 HydrophobicContact CD2-CB 3.86Å; W899-V907 HydrophobicContact CD2-CG1 4.13Å; W899-V907 HydrophobicContact CE3-CB 4.21Å; W899-V907 HydrophobicContact CE3-CG1 4.11Å; W899-V907 HydrophobicContact CG-CB 4.45Å; W899-V907 HydrophobicContact CH2-CB 4.05Å; W899-V907 HydrophobicContact CH2-CG1 3.23Å; W899-V907 HydrophobicContact CZ2-CB 3.67Å; W899-V907 HydrophobicContact CZ2-CG1 3.22Å; W899-V907 HydrophobicContact CZ2-CG2 4.06Å; W899-V907 HydrophobicContact CZ3-CB 4.3Å; W899-V907 HydrophobicContact CZ3-CG1 3.7Å; W899-V907 PolarHBondContact N-O 2.88Å; W899-V907 PolarHBondContact O-N 3.08Å; W899-Q909 HydrophobicContact CH2-CG 4.4Å; W899-Q909 HydrophobicContact CZ3-CG 3.94Å; W899-F956 HydrophobicContact CD2-CE2 4.06Å; W899-F956 HydrophobicContact CE3-CD2 4.07Å; W899-F956 AromaticContact CE3-CE2 3.54Å; W899-F956 HydrophobicContact CE3-CE2 3.54Å; W899-F956 HydrophobicContact CE3-CZ 4.47Å; W899-F956 HydrophobicContact CH2-CD2 4.13Å; W899-F956 HydrophobicContact CH2-CE2 4.27Å; W899-F956 AromaticContact CZ3-CD2 3.68Å; W899-F956 HydrophobicContact CZ3-CD2 3.68Å; W899-F956 AromaticContact CZ3-CE2 3.66Å; W899-F956 HydrophobicContact CZ3-CE2 3.66Å; W899-N959 HydrophobicContact CH2-CB 3.74Å; W899-N959 HydrophobicContact CZ2-CB 4.38Å; W899-N959 WeakPolarHBondContact CZ2-O 3.49Å; W899-F960 AromaticContact CD1-CD2 3.88Å; W899-F960 AromaticContact CD1-CE2 3.92Å; W899-F960 HydrophobicContact CD2-CD2 4.24Å; W899-F960 AromaticContact CE2-CD2 3.82Å; W899-F960 HydrophobicContact CG-CD2 4.28Å; W899-F960 HydrophobicContact CG-CE2 4.47Å; W899-F960 HydrophobicContact CZ2-CB 4.31Å; W899-F960 HydrophobicContact CZ2-CD2 4.32Å; W899-F960 AromaticContact NE1-CD2 3.59Å; W899-S963 PolarHBondContact NE1-OG 2.94Å; W899-L1020 HydrophobicContact CB-CD1 3.61Å; W899-L1020 HydrophobicContact CG-CD1 4.31Å; W899-F1023 VanDerWaalsContact CA-CE1 3.49Å; W899-F1023 HydrophobicContact CB-CD1 4.4Å; W899-F1023 HydrophobicContact CB-CE1 4.49Å
900	K	93.3	Very high	91.2	Very high	82 Å²	82	32.7 Å²	32.7	36%	0.357	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	139.6	167.7	-70.6	-176.6	174.2	-176	0	109.4	E519 F905 F1023	E519-K900 VanDerWaalsContact CD-NZ 3.26Å; E519-K900 IonicContact OE1-NZ 3.73Å; E519-K900 PolarHBondContact OE1-NZ 3.23Å; E519-K900 IonicContact OE2-NZ 3.59Å; E519-K900 PolarHBondContact OE2-NZ 3.49Å; K900-F905 WeakPolarHBondContact CA-O 3.49Å; K900-F1023 HydrophobicContact CB-CE2 4.5Å; K900-F1023 HydrophobicContact CD-CE2 4.12Å; K900-F1023 HydrophobicContact CG-CD2 4.41Å; K900-F1023 HydrophobicContact CG-CE2 3.86Å; K900-F1023 HydrophobicContact CG-CZ 4.49Å
901	T	95.3	Very high	90.9	Very high	6 Å²	6	35 Å²	35	4%	0.037	16%	0.161	C	C	.	.			trans	-74.2	166.4	171.3	74.5	0	0	0	0	110.4	L903 N904 F905 V907 S967	T901-L903 PolarHBondContact O-N 2.92Å; T901-L903 VanDerWaalsContact O-N 3.1Å; T901-L903 PolarHBondContact OG1-N 3.33Å; T901-N904 WeakPolarHBondContact O-CA 3.42Å; T901-N904 PolarHBondContact O-N 3.18Å; T901-F905 HydrophobicContact CG2-CB 4.2Å; T901-F905 HydrophobicContact CG2-CD1 4.47Å; T901-F905 PolarHBondContact N-O 2.9Å; T901-F905 WeakPolarHBondContact OG1-CB 3.28Å; T901-F905 PolarHBondContact OG1-N 2.67Å; T901-V907 HydrophobicContact CG2-CG2 4.03Å; T901-S967 WeakPolarHBondContact CB-OG 3.17Å; T901-S967 PolarHBondContact OG1-OG 3.45Å
902	P	95.5	Very high	90.4	Very high	32 Å²	32	30.1 Å²	30.1	21%	0.208	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-18.7	172.6	-28.2	38.6	0	0	0	114.7	C175 L177 N904 L964 L1011 I1016	C175-P902 PolarHBondContact SG-O 2.73Å; L177-P902 HydrophobicContact CD1-CB 3.86Å; P902-N904 VanDerWaalsContact C-N 3.28Å; P902-L964 HydrophobicContact CG-CD2 4.18Å; P902-L1011 HydrophobicContact CB-CD1 3.7Å; P902-L1011 HydrophobicContact CG-CD1 3.71Å; P902-I1016 HydrophobicContact CG-CD1 4.33Å; P902-I1016 HydrophobicContact CG-CG1 3.98Å
903	L	93.6	Very high	89.8	Confident	3 Å²	3	34.1 Å²	34.1	2%	0.016	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	16.1	170.9	-72.3	-176.4	0	0	0	113.3	L177 L178 P522 T901 F905 S967 M970 L971	L177-L903 HydrophobicContact CD1-CD2 4.48Å; L178-L903 HydrophobicContact CD1-CD2 4.11Å; L178-L903 HydrophobicContact CD2-CD2 4.49Å; L178-L903 HydrophobicContact CG-CD2 4.29Å; P522-L903 HydrophobicContact CB-CB 4.46Å; P522-L903 HydrophobicContact CB-CD1 4.48Å; P522-L903 HydrophobicContact CB-CD2 4.35Å; T901-L903 PolarHBondContact O-N 2.92Å; T901-L903 VanDerWaalsContact O-N 3.1Å; T901-L903 PolarHBondContact OG1-N 3.33Å; L903-F905 PolarHBondContact O-N 3.4Å; L903-F905 VanDerWaalsContact O-N 3.09Å; L903-S967 WeakPolarHBondContact CD1-O 3.37Å; L903-M970 HydrophobicContact CD1-CB 3.62Å; L903-M970 HydrophobicContact CD1-CG 4.46Å; L903-M970 HydrophobicContact CD1-SD 4.08Å; L903-L971 HydrophobicContact CD1-CG 4.2Å; L903-L971 HydrophobicContact CD2-CD2 3.75Å; L903-L971 HydrophobicContact CD2-CG 3.99Å; L903-L971 HydrophobicContact CG-CG 4.37Å
904	N	91.9	Very high	88.7	Confident	40 Å²	40	38.2 Å²	38.2	21%	0.214	18%	0.18	C	C	.	.			trans	61.4	6.2	-174.8	-59.8	-42.5	0	0	0	116.4	L174 E519 T901 P902 P906	L174-N904 PolarHBondContact O-ND2 3.47Å; E519-N904 HydrophobicContact CB-CB 3.97Å; E519-N904 HydrophobicContact CG-CB 4.33Å; E519-N904 WeakPolarHBondContact O-CB 3.42Å; T901-N904 WeakPolarHBondContact O-CA 3.42Å; T901-N904 PolarHBondContact O-N 3.18Å; P902-N904 VanDerWaalsContact C-N 3.28Å; N904-P906 WeakPolarHBondContact O-CD 3.39Å
905	F	92.9	Very high	87.1	Confident	3 Å²	3	31.1 Å²	31.1	1%	0.013	16%	0.162	C	C	.	.			trans	-65	122	178.8	-176.2	-99	0	0	0	110.4	F497 I498 V520 A523 L627 K900 T901 L903 V907	F497-F905 HydrophobicContact CE1-CE2 4.4Å; I498-F905 HydrophobicContact CD1-CE2 4.48Å; I498-F905 HydrophobicContact CD1-CZ 4.1Å; V520-F905 HydrophobicContact CG1-CD2 4.12Å; A523-F905 HydrophobicContact CB-CD2 3.92Å; A523-F905 HydrophobicContact CB-CE2 4.42Å; L627-F905 HydrophobicContact CD1-CE1 4.46Å; L627-F905 HydrophobicContact CD1-CE2 3.69Å; L627-F905 HydrophobicContact CD1-CZ 3.38Å; L627-F905 HydrophobicContact CD2-CE2 3.83Å; L627-F905 HydrophobicContact CD2-CZ 4.23Å; L627-F905 HydrophobicContact CG-CE2 4.47Å; L627-F905 HydrophobicContact CG-CZ 4.48Å; K900-F905 WeakPolarHBondContact CA-O 3.49Å; T901-F905 HydrophobicContact CG2-CB 4.2Å; T901-F905 HydrophobicContact CG2-CD1 4.47Å; T901-F905 PolarHBondContact N-O 2.9Å; T901-F905 WeakPolarHBondContact OG1-CB 3.28Å; T901-F905 PolarHBondContact OG1-N 2.67Å; L903-F905 PolarHBondContact O-N 3.4Å; L903-F905 VanDerWaalsContact O-N 3.09Å; F905-V907 HydrophobicContact CD1-CG2 3.8Å; F905-V907 HydrophobicContact CE1-CG2 4.05Å
906	P	91.9	Very high	85.2	Confident	14 Å²	14	29.8 Å²	29.8	9%	0.091	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	126.7	-178.4	30.4	-32.1	0	0	0	111	I515 V520 N904	I515-P906 HydrophobicContact CB-CG 4.41Å; I515-P906 HydrophobicContact CD1-CG 4.08Å; I515-P906 HydrophobicContact CG1-CG 3.83Å; I515-P906 HydrophobicContact CG2-CG 4.04Å; V520-P906 HydrophobicContact CG1-CG 4.36Å; N904-P906 WeakPolarHBondContact O-CD 3.39Å
907	V	92.2	Very high	83	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	129.8	177.6	-178.2	0	0	0	0	110.1	F629 Q898 W899 T901 F905	F629-V907 HydrophobicContact CD2-CG1 4.23Å; F629-V907 WeakPolarHBondContact O-CG1 3.41Å; Q898-V907 CarbonylContact C-O 3.58Å; Q898-V907 WeakPolarHBondContact CA-O 3.39Å; W899-V907 HydrophobicContact CD2-CB 3.86Å; W899-V907 HydrophobicContact CD2-CG1 4.13Å; W899-V907 HydrophobicContact CE3-CB 4.21Å; W899-V907 HydrophobicContact CE3-CG1 4.11Å; W899-V907 HydrophobicContact CG-CB 4.45Å; W899-V907 HydrophobicContact CH2-CB 4.05Å; W899-V907 HydrophobicContact CH2-CG1 3.23Å; W899-V907 HydrophobicContact CZ2-CB 3.67Å; W899-V907 HydrophobicContact CZ2-CG1 3.22Å; W899-V907 HydrophobicContact CZ2-CG2 4.06Å; W899-V907 HydrophobicContact CZ3-CB 4.3Å; W899-V907 HydrophobicContact CZ3-CG1 3.7Å; W899-V907 PolarHBondContact N-O 2.88Å; W899-V907 PolarHBondContact O-N 3.08Å; T901-V907 HydrophobicContact CG2-CG2 4.03Å; F905-V907 HydrophobicContact CD1-CG2 3.8Å; F905-V907 HydrophobicContact CE1-CG2 4.05Å
908	V	90.2	Very high	80.9	Confident	34 Å²	34	34.7 Å²	34.7	21%	0.206	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	124.2	175.7	-176	0	0	0	0	109.2	E511 A513 F629 A896 Q898 P910	E511-V908 VanDerWaalsContact OE2-CG1 3.31Å; E511-V908 WeakPolarHBondContact OE2-CG1 3.32Å; A513-V908 HydrophobicContact CB-CG2 4.5Å; F629-V908 VanDerWaalsContact CD2-O 3.25Å; F629-V908 WeakPolarHBondContact CD2-O 3.45Å; A896-V908 HydrophobicContact CB-CG1 4.28Å; Q898-V908 HydrophobicContact CB-CG2 4.12Å; V908-P910 VanDerWaalsContact O-CD 3.31Å; V908-P910 WeakPolarHBondContact O-CD 3.46Å
909	Q	90.7	Very high	78.5	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.205	C	C	.	.			trans	-72.3	118.2	179.9	-68.1	-155.6	111.9	0	0	111.8	A896 V897 W899 Y911 Q952 G955 F956 N959	A896-Q909 WeakPolarHBondContact CB-O 3.21Å; V897-Q909 HydrophobicContact CB-CG 4.16Å; V897-Q909 PolarHBondContact O-N 3.21Å; W899-Q909 HydrophobicContact CH2-CG 4.4Å; W899-Q909 HydrophobicContact CZ3-CG 3.94Å; Q909-Y911 HydrophobicContact CB-CD2 3.86Å; Q909-Y911 HydrophobicContact CB-CE2 4.13Å; Q909-Y911 HydrophobicContact CG-CD2 4.44Å; Q909-Y911 HydrophobicContact CG-CE2 4.34Å; Q909-Y911 PolarHBondContact O-N 3.35Å; Q909-Q952 VanDerWaalsContact CB-OE1 3.26Å; Q909-Q952 PolarHBondContact NE2-O 2.89Å; Q909-Q952 PolarHBondContact O-NE2 2.65Å; Q909-Q952 VanDerWaalsContact O-NE2 3.15Å; Q909-G955 PolarHBondContact OE1-O 3.28Å; Q909-G955 VanDerWaalsContact OE1-O 3.1Å; Q909-F956 VanDerWaalsContact OE1-N 3.09Å; Q909-N959 PolarHBondContact OE1-ND2 3.34Å
910	P	86.1	Confident	76	Confident	21 Å²	21	35.9 Å²	35.9	14%	0.136	21%	0.212	C	C	.	.			trans	-80.3	29.5	-172.3	33.8	-37.1	0	0	0	113.7	L500 A504 F629 V908 Y912	L500-P910 HydrophobicContact CD2-CB 4.3Å; A504-P910 HydrophobicContact CB-CB 3.49Å; A504-P910 VanDerWaalsContact CB-CB 3.49Å; F629-P910 HydrophobicContact CD1-CG 3.77Å; F629-P910 HydrophobicContact CD2-CG 4.25Å; F629-P910 HydrophobicContact CE1-CG 3.66Å; F629-P910 HydrophobicContact CE2-CG 4.14Å; F629-P910 HydrophobicContact CG-CG 4.08Å; F629-P910 VanDerWaalsContact CZ-CD 3.46Å; F629-P910 HydrophobicContact CZ-CG 3.85Å; V908-P910 VanDerWaalsContact O-CD 3.31Å; V908-P910 WeakPolarHBondContact O-CD 3.46Å; P910-Y912 PolarHBondContact O-N 3.4Å
911	Y	87.6	Confident	73.8	Confident	56 Å²	56	33.7 Å²	33.7	22%	0.22	21%	0.206	C	C	.	.			trans	-99.2	96.3	-170.9	-51.3	-49.3	0	0	0	112.8	Q909 D948 K951 Q952 N959	Q909-Y911 HydrophobicContact CB-CD2 3.86Å; Q909-Y911 HydrophobicContact CB-CE2 4.13Å; Q909-Y911 HydrophobicContact CG-CD2 4.44Å; Q909-Y911 HydrophobicContact CG-CE2 4.34Å; Q909-Y911 PolarHBondContact O-N 3.35Å; Y911-D948 PolarHBondContact O-N 3.04Å; Y911-K951 HydrophobicContact CD1-CB 4.38Å; Y911-K951 HydrophobicContact CD1-CD 4.5Å; Y911-K951 HydrophobicContact CD2-CB 4.24Å; Y911-K951 HydrophobicContact CG-CB 3.85Å; Y911-Q952 PolarHBondContact O-NE2 3.35Å; Y911-N959 WeakPolarHBondContact CE2-ND2 3.46Å; Y911-N959 PolarHBondContact OH-ND2 3.06Å
912	Y	80.4	Confident	71.6	Confident	13 Å²	13	34.7 Å²	34.7	5%	0.051	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-115	156.5	177.5	-62.5	-82.8	0	0	0	111.3	V507 E511 A896 P910 S914 P947	V507-Y912 HydrophobicContact CB-CD1 4.17Å; V507-Y912 HydrophobicContact CB-CD2 3.75Å; V507-Y912 HydrophobicContact CB-CE1 4.09Å; V507-Y912 HydrophobicContact CB-CE2 3.67Å; V507-Y912 HydrophobicContact CB-CG 3.99Å; V507-Y912 HydrophobicContact CG1-CD1 3.58Å; V507-Y912 HydrophobicContact CG1-CD2 4.01Å; V507-Y912 HydrophobicContact CG1-CE1 3.24Å; V507-Y912 HydrophobicContact CG1-CE2 3.71Å; V507-Y912 HydrophobicContact CG1-CG 3.94Å; V507-Y912 HydrophobicContact CG2-CD1 4.37Å; V507-Y912 HydrophobicContact CG2-CD2 4.15Å; V507-Y912 HydrophobicContact CG2-CG 4.03Å; E511-Y912 PolarHBondContact OE1-OH 2.63Å; E511-Y912 PolarHBondContact OE2-OH 3.46Å; A896-Y912 HydrophobicContact CB-CE1 4.35Å; A896-Y912 WeakPolarHBondContact CB-OH 3.38Å; P910-Y912 PolarHBondContact O-N 3.4Å; Y912-S914 PolarHBondContact O-N 2.84Å; Y912-P947 HydrophobicContact CE1-CG 4.43Å
913	R	76.2	Confident	69.3	Low	130 Å²	130	35.7 Å²	35.7	49%	0.491	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-67.4	124.6	173.6	-66.6	-175.4	-176.7	-164.6	-2.2	109	G915 S944 K946 D948	R913-G915 PolarHBondContact O-N 3.08Å; R913-G915 VanDerWaalsContact O-N 3.09Å; R913-S944 WeakPolarHBondContact O-CB 3.38Å; R913-S944 PolarHBondContact O-N 3.14Å; R913-K946 PolarHBondContact N-O 3.12Å; R913-D948 HydrophobicContact CG-CB 4.16Å
914	S	63.3	Low	67.2	Low	101 Å²	101	37.7 Å²	37.7	71%	0.706	24%	0.236	S	C	*	.	P	Polyproline II helix	trans	-59	117	169.6	-55.8	0	0	0	0	109.1	Y912	Y912-S914 PolarHBondContact O-N 2.84Å
915	G	52.7	Low	65.2	Low	29 Å²	29	36.4 Å²	36.4	30%	0.299	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-76.4	169.2	157.3	0	0	0	0	0	109.8	R913 K941 L942	R913-G915 PolarHBondContact O-N 3.08Å; R913-G915 VanDerWaalsContact O-N 3.09Å; G915-K941 CarbonylContact C-O 3.41Å; G915-L942 WeakPolarHBondContact CA-O 3.48Å
916	G	47	Very low	62.6	Low	29 Å²	29	38.2 Å²	38.2	30%	0.299	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-58.7	158.7	167.8	0	0	0	0	0	111.9	K941	G916-K941 CarbonylContact C-O 3.49Å; G916-K941 WeakPolarHBondContact CA-O 3.35Å; G916-K941 PolarHBondContact N-O 3.26Å
917	V	42.2	Very low	59.9	Low	82 Å²	82	40.7 Å²	40.7	50%	0.497	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-67.4	136.6	175.6	-175.9	0	0	0	0	109.2	G940	V917-G940 PolarHBondContact O-N 3.39Å
918	A	48.7	Very low	57.2	Low	22 Å²	22	43 Å²	43	18%	0.182	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-78.6	162.8	-158.9	0	0	0	0	0	116.1	Y939 L942	A918-Y939 VanDerWaalsContact O-CD1 3.23Å; A918-Y939 WeakPolarHBondContact O-CD1 3.48Å; A918-L942 HydrophobicContact CB-CG 4.16Å
919	A	43.1	Very low	54.6	Low	32 Å²	32	43.7 Å²	43.7	26%	0.264	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-95	170.7	168.5	0	0	0	0	0	112.4	V921 Y939	A919-V921 PolarHBondContact O-N 2.8Å; A919-Y939 HydrophobicContact CB-CD2 3.71Å; A919-Y939 HydrophobicContact CB-CG 3.7Å
920	S	41.5	Very low	51.8	Low	24 Å²	24	54.1 Å²	54.1	17%	0.168	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-55.9	120.9	157.4	82.1	0	0	0	0	109.4	F922 G923	S920-F922 PolarHBondContact O-N 2.75Å; S920-F922 VanDerWaalsContact O-N 3.14Å; S920-G923 PolarHBondContact O-N 3.2Å; S920-G923 WeakPolarHBondContact OG-CA 3.41Å; S920-G923 PolarHBondContact OG-N 3.3Å
921	V	47.5	Very low	49.2	Very low	36 Å²	36	57 Å²	57	22%	0.218	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-22.9	-169	175.9	0	0	0	0	112.9	P22 A394 A919	P22-V921 HydrophobicContact CB-CG1 3.63Å; P22-V921 VanDerWaalsContact CD-CG1 3.41Å; P22-V921 HydrophobicContact CG-CG1 3.35Å; A394-V921 HydrophobicContact CB-CB 4.47Å; A394-V921 HydrophobicContact CB-CG2 3.44Å; A394-V921 VanDerWaalsContact CB-CG2 3.44Å; A919-V921 PolarHBondContact O-N 2.8Å
922	F	48.3	Very low	46.5	Very low	27 Å²	27	58 Å²	58	12%	0.118	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-2	177.5	-68.1	-72.1	0	0	0	114.3	P22 A25 L26 Y49 F64 M279 S920 D924	P22-F922 HydrophobicContact CB-CE1 3.89Å; P22-F922 HydrophobicContact CB-CE2 4.4Å; P22-F922 HydrophobicContact CB-CZ 3.67Å; P22-F922 VanDerWaalsContact O-CZ 3.26Å; P22-F922 WeakPolarHBondContact O-CZ 3.47Å; A25-F922 HydrophobicContact CB-CE2 4.04Å; L26-F922 HydrophobicContact CB-CE2 4.47Å; L26-F922 HydrophobicContact CB-CZ 4.27Å; Y49-F922 HydrophobicContact CD1-CD1 4.1Å; Y49-F922 AromaticContact CD1-CE1 3.87Å; Y49-F922 HydrophobicContact CD1-CE1 3.87Å; Y49-F922 AromaticContact CE1-CD1 3.64Å; Y49-F922 HydrophobicContact CE1-CD1 3.64Å; Y49-F922 AromaticContact CE1-CE1 3.89Å; Y49-F922 HydrophobicContact CE1-CE1 3.89Å; Y49-F922 HydrophobicContact CE1-CG 4.2Å; F64-F922 HydrophobicContact CZ-CE1 4.37Å; F64-F922 HydrophobicContact CZ-CZ 4.43Å; M279-F922 HydrophobicContact CE-CD2 4Å; M279-F922 HydrophobicContact CE-CE2 3.88Å; M279-F922 HydrophobicContact SD-CD2 3.79Å; M279-F922 HydrophobicContact SD-CE2 3.63Å; M279-F922 HydrophobicContact SD-CZ 4.37Å; S920-F922 PolarHBondContact O-N 2.75Å; S920-F922 VanDerWaalsContact O-N 3.14Å; F922-D924 HydrophobicContact CB-CB 4.42Å; F922-D924 PolarHBondContact O-N 2.86Å
923	G	47.1	Very low	44.1	Very low	53 Å²	53	61.4 Å²	61.4	55%	0.546	42%	0.423	S	S	.	.	S	Bend	trans	69.3	-14.1	-172.2	0	0	0	0	0	115.1	S920	S920-G923 PolarHBondContact O-N 3.2Å; S920-G923 WeakPolarHBondContact OG-CA 3.41Å; S920-G923 PolarHBondContact OG-N 3.3Å
924	D	49.5	Very low	41.9	Very low	44 Å²	44	59 Å²	59	24%	0.235	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-94.7	-9.5	-161.3	-79.9	-0.9	0	0	0	115.5	R48 Y49 H278 F922 G926	R48-D924 IonicContact NH2-OD2 2.71Å; R48-D924 PolarHBondContact NH2-OD2 2.93Å; Y49-D924 PolarHBondContact OH-OD2 3.09Å; H278-D924 HydrophobicContact CB-CB 4Å; H278-D924 PolarHBondContact CD2-O 2.93Å; F922-D924 HydrophobicContact CB-CB 4.42Å; F922-D924 PolarHBondContact O-N 2.86Å; D924-G926 PolarHBondContact O-N 3.41Å; D924-G926 VanDerWaalsContact O-N 3.11Å
925	Y	49.8	Very low	40.3	Very low	13 Å²	13	61.7 Å²	61.7	5%	0.051	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-60.6	-24.9	-176.6	-85.6	-82.2	0	0	0	113.7	M279 N280 I281 D395 E398	M279-Y925 WeakPolarHBondContact CE-OH 3.48Å; N280-Y925 VanDerWaalsContact C-CE1 3.48Å; N280-Y925 VanDerWaalsContact CA-CD1 3.46Å; N280-Y925 VanDerWaalsContact CA-CE1 3.47Å; I281-Y925 HydrophobicContact CG2-CD1 3.88Å; I281-Y925 HydrophobicContact CG2-CE1 3.96Å; D395-Y925 PolarHBondContact OD1-OH 3.28Å; E398-Y925 HydrophobicContact CB-CD1 4.38Å; E398-Y925 HydrophobicContact CG-CD1 3.79Å; E398-Y925 HydrophobicContact CG-CG 3.92Å
926	G	38.4	Very low	39.1	Very low	41 Å²	41	69.6 Å²	69.6	42%	0.423	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-108.1	4.8	-171.4	0	0	0	0	0	117.3	D924 T928	D924-G926 PolarHBondContact O-N 3.41Å; D924-G926 VanDerWaalsContact O-N 3.11Å; G926-T928 VanDerWaalsContact C-N 3.28Å; G926-T928 PolarHBondContact O-N 3.34Å
927	A	36	Very low	38.5	Very low	66 Å²	66	71.3 Å²	71.3	55%	0.545	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-0.8	-168.6	0	0	0	0	0	116
928	T	35.4	Very low	37.8	Very low	49 Å²	49	75.3 Å²	75.3	30%	0.301	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-2.1	-170.4	39.1	0	0	0	0	117	V276 G926	V276-T928 HydrophobicContact CG1-CG2 4.46Å; V276-T928 HydrophobicContact CG2-CG2 3.73Å; G926-T928 VanDerWaalsContact C-N 3.28Å; G926-T928 PolarHBondContact O-N 3.34Å
929	C	34.6	Very low	37.5	Very low	50 Å²	50	78.7 Å²	78.7	34%	0.338	47%	0.473	S	S	.	.			trans	-108.4	83.2	177.3	-65.4	0	0	0	0	111.6	G931 L934	C929-G931 PolarHBondContact O-N 2.84Å; C929-L934 HydrophobicContact CB-CD1 4.32Å
930	K	32.8	Very low	37.1	Very low	218 Å²	218	79 Å²	79	95%	0.948	48%	0.479	S	S	*	.			trans	-74.3	11.5	174.6	-80.1	-170.6	176.1	-177.2	0	114.8
931	G	32.1	Very low	36.7	Very low	81 Å²	81	86.9 Å²	86.9	84%	0.835	51%	0.511	S	S	*	.	S	Bend	trans	-124.3	-16.8	-166.3	0	0	0	0	0	118	C929	C929-G931 PolarHBondContact O-N 2.84Å
932	S	30.8	Very low	36.7	Very low	77 Å²	77	87.9 Å²	87.9	54%	0.538	52%	0.515	S	S	.	.	S	Bend	trans	-120.9	141.8	171.5	68.5	0	0	0	0	108.2	L934	S932-L934 PolarHBondContact O-N 2.97Å
933	G	29.1	Very low	36.7	Very low	86 Å²	86	87.9 Å²	87.9	89%	0.887	52%	0.518	S	S	*	.			trans	-63	69.3	-176.2	0	0	0	0	0	113.2	R935	G933-R935 PolarHBondContact O-N 3.07Å
934	L	30.7	Very low	37.1	Very low	79 Å²	79	87 Å²	87	41%	0.414	50%	0.503	S	S	.	.			trans	-62.5	111	179.4	-116.8	86.9	0	0	0	107.6	C929 S932 K936	C929-L934 HydrophobicContact CB-CD1 4.32Å; S932-L934 PolarHBondContact O-N 2.97Å; L934-K936 PolarHBondContact O-N 3.21Å; L934-K936 VanDerWaalsContact O-N 3.09Å
935	R	30	Very low	37.8	Very low	158 Å²	158	86.9 Å²	86.9	60%	0.596	50%	0.504	S	S	*	.			trans	-42.9	120.6	167.6	-75.5	179.8	171.7	171.6	-0.8	108.2	E446 G933 S937	E446-R935 IonicContact OE1-NH1 3.91Å; E446-R935 PolarHBondContact OE1-NH1 2.93Å; E446-R935 VanDerWaalsContact OE1-NH1 3.1Å; G933-R935 PolarHBondContact O-N 3.07Å; R935-S937 PolarHBondContact O-N 3.33Å
936	K	26.7	Very low	39	Very low	194 Å²	194	91.8 Å²	91.8	84%	0.843	53%	0.526	S	S	*	.			trans	-60.6	84.1	168.3	-74.9	177.2	178.1	173.7	0	108.7	L934 I938	L934-K936 PolarHBondContact O-N 3.21Å; L934-K936 VanDerWaalsContact O-N 3.09Å; K936-I938 PolarHBondContact O-N 2.93Å
937	S	34.2	Very low	41.2	Very low	65 Å²	65	90.1 Å²	90.1	46%	0.455	51%	0.508	S	S	.	.			trans	21.9	78	136.2	146.1	0	0	0	0	114.7	R935 Y939	R935-S937 PolarHBondContact O-N 3.33Å; S937-Y939 VanDerWaalsContact CA-CE2 3.41Å; S937-Y939 VanDerWaalsContact CB-CD2 3.5Å; S937-Y939 PolarHBondContact O-N 3.26Å; S937-Y939 WeakPolarHBondContact OG-CD2 3.1Å; S937-Y939 WeakPolarHBondContact OG-CE2 3.31Å
938	I	28.6	Very low	43.7	Very low	166 Å²	166	88.5 Å²	88.5	85%	0.851	49%	0.49	S	S	*	.			trans	-79.6	99.8	173.2	-57.9	171.7	0	0	0	107	K936	K936-I938 PolarHBondContact O-N 2.93Å
939	Y	41.8	Very low	46.4	Very low	93 Å²	93	87.5 Å²	87.5	37%	0.365	49%	0.485	S	S	.	.			trans	-138.6	130	-172.5	-59.3	-51.7	0	0	0	115	A918 A919 S937	A918-Y939 VanDerWaalsContact O-CD1 3.23Å; A918-Y939 WeakPolarHBondContact O-CD1 3.48Å; A919-Y939 HydrophobicContact CB-CD2 3.71Å; A919-Y939 HydrophobicContact CB-CG 3.7Å; S937-Y939 VanDerWaalsContact CA-CE2 3.41Å; S937-Y939 VanDerWaalsContact CB-CD2 3.5Å; S937-Y939 PolarHBondContact O-N 3.26Å; S937-Y939 WeakPolarHBondContact OG-CD2 3.1Å; S937-Y939 WeakPolarHBondContact OG-CE2 3.31Å
940	G	33.3	Very low	49.1	Very low	38 Å²	38	93.3 Å²	93.3	39%	0.392	50%	0.5	S	S	.	.			trans	-102.5	174.4	-171.7	0	0	0	0	0	115.2	V917	V917-G940 PolarHBondContact O-N 3.39Å
941	K	34.9	Very low	52	Low	190 Å²	190	87.8 Å²	87.8	83%	0.826	48%	0.475	S	S	*	.			trans	-67	134.7	-179.8	-76.8	178.6	178.2	173	0	112.5	G915 G916	G915-K941 CarbonylContact C-O 3.41Å; G916-K941 CarbonylContact C-O 3.49Å; G916-K941 WeakPolarHBondContact CA-O 3.35Å; G916-K941 PolarHBondContact N-O 3.26Å
942	L	45.9	Very low	54.9	Low	58 Å²	58	83.9 Å²	83.9	30%	0.304	44%	0.436	S	S	.	.			trans	-58.3	160.1	-176	-72	82.6	0	0	0	115.5	Y21 G915 A918 S944	Y21-L942 HydrophobicContact CD1-CD2 3.31Å; Y21-L942 HydrophobicContact CD2-CD2 3.1Å; Y21-L942 HydrophobicContact CD2-CG 4.37Å; Y21-L942 HydrophobicContact CE1-CD2 3.54Å; Y21-L942 HydrophobicContact CE2-CB 4.06Å; Y21-L942 HydrophobicContact CE2-CD2 3.34Å; Y21-L942 HydrophobicContact CE2-CG 4.35Å; Y21-L942 HydrophobicContact CG-CD2 3.04Å; G915-L942 WeakPolarHBondContact CA-O 3.48Å; A918-L942 HydrophobicContact CB-CG 4.16Å; L942-S944 PolarHBondContact O-N 2.91Å
943	S	49.4	Very low	58	Low	27 Å²	27	84.8 Å²	84.8	19%	0.189	43%	0.427	C	S	.	.			trans	-28.8	117.7	159.7	171.5	0	0	0	0	111	Y21 T945	Y21-S943 PolarHBondContact OH-O 2.75Å; S943-T945 PolarHBondContact O-N 3.17Å
944	S	55.5	Low	61	Low	33 Å²	33	83.8 Å²	83.8	23%	0.231	40%	0.402	C	S	.	.			trans	-73.9	126.3	-178	148.2	0	0	0	0	108.1	R913 L942 K946	R913-S944 WeakPolarHBondContact O-CB 3.38Å; R913-S944 PolarHBondContact O-N 3.14Å; L942-S944 PolarHBondContact O-N 2.91Å; S944-K946 PolarHBondContact O-N 2.58Å; S944-K946 WeakPolarHBondContact OG-CA 3.46Å; S944-K946 WeakPolarHBondContact OG-CB 3.37Å; S944-K946 WeakPolarHBondContact OG-CG 3.37Å; S944-K946 PolarHBondContact OG-N 3.44Å; S944-K946 PolarHBondContact OG-O 3.36Å
945	T	62.9	Low	64	Low	42 Å²	42	80.4 Å²	80.4	26%	0.258	39%	0.385	S	S	.	.	S	Bend	trans	-61.7	-9.6	169.3	60.7	0	0	0	0	112.7	M510 S943 P947	M510-T945 HydrophobicContact CE-CG2 3.87Å; M510-T945 HydrophobicContact SD-CG2 3.61Å; S943-T945 PolarHBondContact O-N 3.17Å; T945-P947 WeakPolarHBondContact O-CD 3.47Å
946	K	76.1	Confident	67.2	Low	116 Å²	116	72.9 Å²	72.9	50%	0.504	36%	0.357	S	S	.	.	S	Bend	trans	-72.4	126.9	173.6	-52.1	-177.6	177.1	179.9	0	110.7	R913 S944	R913-K946 PolarHBondContact N-O 3.12Å; S944-K946 PolarHBondContact O-N 2.58Å; S944-K946 WeakPolarHBondContact OG-CA 3.46Å; S944-K946 WeakPolarHBondContact OG-CB 3.37Å; S944-K946 WeakPolarHBondContact OG-CG 3.37Å; S944-K946 PolarHBondContact OG-N 3.44Å; S944-K946 PolarHBondContact OG-O 3.36Å
947	P	84.5	Confident	70.5	Confident	6 Å²	6	64 Å²	64	4%	0.039	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-56.3	144.8	171.9	-21.4	29.9	0	0	0	112.1	R894 R895 Y912 T945 S949 Q952	R894-P947 WeakPolarHBondContact O-CD 3.5Å; R895-P947 VanDerWaalsContact O-CG 3.29Å; R895-P947 WeakPolarHBondContact O-CG 3.37Å; Y912-P947 HydrophobicContact CE1-CG 4.43Å; T945-P947 WeakPolarHBondContact O-CD 3.47Å; P947-S949 PolarHBondContact O-N 3.39Å; P947-Q952 HydrophobicContact CB-CG 3.92Å
948	D	88	Confident	73.4	Confident	33 Å²	33	61.4 Å²	61.4	18%	0.176	30%	0.301	C	S	.	.			trans	-80.6	96.8	168.1	-177.9	-26.5	0	0	0	108.6	Y911 R913 R950 K951 Q952	Y911-D948 PolarHBondContact O-N 3.04Å; R913-D948 HydrophobicContact CG-CB 4.16Å; D948-R950 PolarHBondContact O-N 2.91Å; D948-R950 VanDerWaalsContact O-N 3.1Å; D948-R950 WeakPolarHBondContact OD1-CB 3.3Å; D948-R950 PolarHBondContact OD1-N 2.99Å; D948-K951 HydrophobicContact CB-CB 4.05Å; D948-K951 HydrophobicContact CB-CD 4.22Å; D948-K951 HydrophobicContact CB-CG 4.26Å; D948-K951 PolarHBondContact O-N 3.45Å; D948-K951 PolarHBondContact OD1-N 3.44Å; D948-K951 VanDerWaalsContact OD1-N 3.12Å; D948-K951 WeakPolarHBondContact OD2-CD 3.36Å; D948-K951 WeakPolarHBondContact OD2-CE 3.25Å; D948-K951 WeakPolarHBondContact OD2-CG 3.36Å; D948-Q952 WeakPolarHBondContact O-CB 3.3Å; D948-Q952 VanDerWaalsContact O-CG 3.24Å; D948-Q952 WeakPolarHBondContact O-CG 3.14Å; D948-Q952 PolarHBondContact O-N 3.34Å
949	S	92	Very high	76.6	Confident	27 Å²	27	53.6 Å²	53.6	19%	0.189	26%	0.261	C	S	.	.	H	α-helix	trans	-55.2	-31.3	-176.8	60.9	0	0	0	0	113.7	S890 P947 R953	S890-S949 WeakPolarHBondContact OG-CA 3.27Å; S890-S949 WeakPolarHBondContact OG-CB 3.31Å; P947-S949 PolarHBondContact O-N 3.39Å; S949-R953 WeakPolarHBondContact O-CB 3.31Å; S949-R953 PolarHBondContact O-N 2.95Å; S949-R953 VanDerWaalsContact O-N 3.14Å
950	R	92.8	Very high	79.3	Confident	173 Å²	173	49.4 Å²	49.4	65%	0.653	24%	0.244	S	C	*	.	H	α-helix	trans	-71.4	-45.9	178.1	-179.5	-178	175	-176.2	-0.3	110.4	D948 N954	D948-R950 PolarHBondContact O-N 2.91Å; D948-R950 VanDerWaalsContact O-N 3.1Å; D948-R950 WeakPolarHBondContact OD1-CB 3.3Å; D948-R950 PolarHBondContact OD1-N 2.99Å; R950-N954 WeakPolarHBondContact O-CB 3.37Å; R950-N954 VanDerWaalsContact O-CG 3.26Å; R950-N954 PolarHBondContact O-N 3.15Å; R950-N954 VanDerWaalsContact O-N 3.08Å; R950-N954 PolarHBondContact O-OD1 2.96Å
951	K	92.2	Very high	82.3	Confident	101 Å²	101	47.6 Å²	47.6	44%	0.439	23%	0.226	S	C	.	.	H	α-helix	trans	-70.6	-40.8	178.6	-69.7	-177.7	-175.4	179.5	0	112.4	Y911 D948 R953 N954 G955	Y911-K951 HydrophobicContact CD1-CB 4.38Å; Y911-K951 HydrophobicContact CD1-CD 4.5Å; Y911-K951 HydrophobicContact CD2-CB 4.24Å; Y911-K951 HydrophobicContact CG-CB 3.85Å; D948-K951 HydrophobicContact CB-CB 4.05Å; D948-K951 HydrophobicContact CB-CD 4.22Å; D948-K951 HydrophobicContact CB-CG 4.26Å; D948-K951 PolarHBondContact O-N 3.45Å; D948-K951 PolarHBondContact OD1-N 3.44Å; D948-K951 VanDerWaalsContact OD1-N 3.12Å; D948-K951 WeakPolarHBondContact OD2-CD 3.36Å; D948-K951 WeakPolarHBondContact OD2-CE 3.25Å; D948-K951 WeakPolarHBondContact OD2-CG 3.36Å; K951-R953 VanDerWaalsContact C-N 3.34Å; K951-R953 PolarHBondContact O-N 3.14Å; K951-N954 PolarHBondContact O-N 2.96Å; K951-G955 WeakPolarHBondContact O-CA 3.4Å; K951-G955 PolarHBondContact O-N 3.22Å
952	Q	94	Very high	85.1	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-56.6	-48.7	175	-70.3	-71.1	-17.6	0	0	111	V897 Q909 Y911 P947 D948 G955 F956	V897-Q952 HydrophobicContact CG2-CB 4.46Å; Q909-Q952 VanDerWaalsContact CB-OE1 3.26Å; Q909-Q952 PolarHBondContact NE2-O 2.89Å; Q909-Q952 PolarHBondContact O-NE2 2.65Å; Q909-Q952 VanDerWaalsContact O-NE2 3.15Å; Y911-Q952 PolarHBondContact O-NE2 3.35Å; P947-Q952 HydrophobicContact CB-CG 3.92Å; D948-Q952 WeakPolarHBondContact O-CB 3.3Å; D948-Q952 VanDerWaalsContact O-CG 3.24Å; D948-Q952 WeakPolarHBondContact O-CG 3.14Å; D948-Q952 PolarHBondContact O-N 3.34Å; Q952-G955 PolarHBondContact O-N 3.34Å; Q952-F956 PolarHBondContact O-N 2.65Å; Q952-F956 VanDerWaalsContact O-N 3.14Å
953	R	94.8	Very high	87.5	Confident	96 Å²	96	36.5 Å²	36.5	36%	0.362	18%	0.175	S	C	.	.	H	α-helix	trans	-60.6	-51.5	177	179.2	177.1	74.2	176.2	2.1	112.9	T883 S949 K951 G955 P957	T883-R953 HydrophobicContact CG2-CG 3.29Å; T883-R953 WeakPolarHBondContact O-CG 3.39Å; S949-R953 WeakPolarHBondContact O-CB 3.31Å; S949-R953 PolarHBondContact O-N 2.95Å; S949-R953 VanDerWaalsContact O-N 3.14Å; K951-R953 VanDerWaalsContact C-N 3.34Å; K951-R953 PolarHBondContact O-N 3.14Å; R953-G955 VanDerWaalsContact C-N 3.28Å; R953-G955 PolarHBondContact O-N 3.48Å; R953-P957 WeakPolarHBondContact O-CD 3.48Å
954	N	93.1	Very high	89.8	Confident	65 Å²	65	35.2 Å²	35.2	35%	0.348	17%	0.167	S	C	.	.	H	α-helix	trans	-72.5	-23.8	-176.5	-68.2	5.1	0	0	0	112.7	R950 K951 P958	R950-N954 WeakPolarHBondContact O-CB 3.37Å; R950-N954 VanDerWaalsContact O-CG 3.26Å; R950-N954 PolarHBondContact O-N 3.15Å; R950-N954 VanDerWaalsContact O-N 3.08Å; R950-N954 PolarHBondContact O-OD1 2.96Å; K951-N954 PolarHBondContact O-N 2.96Å; N954-P958 WeakPolarHBondContact O-CD 3.46Å; N954-P958 WeakPolarHBondContact O-CG 3.48Å
955	G	93.9	Very high	91.8	Very high	7 Å²	7	33.7 Å²	33.7	7%	0.072	16%	0.156	C	C	.	.	H	α-helix	trans	-86.6	-24.5	-178	0	0	0	0	0	114.3	Q909 K951 Q952 R953 P958 N959	Q909-G955 PolarHBondContact OE1-O 3.28Å; Q909-G955 VanDerWaalsContact OE1-O 3.1Å; K951-G955 WeakPolarHBondContact O-CA 3.4Å; K951-G955 PolarHBondContact O-N 3.22Å; Q952-G955 PolarHBondContact O-N 3.34Å; R953-G955 VanDerWaalsContact C-N 3.28Å; R953-G955 PolarHBondContact O-N 3.48Å; G955-P958 VanDerWaalsContact O-CD 3.3Å; G955-P958 WeakPolarHBondContact O-CD 3.12Å; G955-P958 VanDerWaalsContact O-CG 3.28Å; G955-P958 WeakPolarHBondContact O-CG 3.2Å; G955-N959 WeakPolarHBondContact O-CB 3.28Å; G955-N959 PolarHBondContact O-N 3.48Å; G955-N959 PolarHBondContact O-ND2 2.87Å
956	F	96.7	Very high	93.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65.1	-51.6	-170.2	-173.9	-158.5	0	0	0	112.8	L882 L885 A886 V897 W899 Q909 Q952 N959 F960 L1020	L882-F956 HydrophobicContact CB-CD1 3.96Å; L882-F956 HydrophobicContact CB-CE1 4.25Å; L882-F956 HydrophobicContact CB-CG 4.43Å; L882-F956 HydrophobicContact CD2-CD1 4.22Å; L882-F956 HydrophobicContact CD2-CE1 3.69Å; L882-F956 HydrophobicContact CD2-CE2 4.36Å; L882-F956 HydrophobicContact CD2-CZ 3.77Å; L882-F956 WeakPolarHBondContact O-CD1 3.45Å; L885-F956 HydrophobicContact CB-CE1 4.35Å; A886-F956 HydrophobicContact CB-CB 3.86Å; A886-F956 HydrophobicContact CB-CD1 3.82Å; A886-F956 HydrophobicContact CB-CG 4.29Å; V897-F956 HydrophobicContact CG1-CD1 3.82Å; V897-F956 HydrophobicContact CG1-CD2 3.7Å; V897-F956 HydrophobicContact CG1-CE1 3.8Å; V897-F956 HydrophobicContact CG1-CE2 3.68Å; V897-F956 HydrophobicContact CG1-CG 3.79Å; V897-F956 HydrophobicContact CG1-CZ 3.73Å; W899-F956 HydrophobicContact CD2-CE2 4.06Å; W899-F956 HydrophobicContact CE3-CD2 4.07Å; W899-F956 AromaticContact CE3-CE2 3.54Å; W899-F956 HydrophobicContact CE3-CE2 3.54Å; W899-F956 HydrophobicContact CE3-CZ 4.47Å; W899-F956 HydrophobicContact CH2-CD2 4.13Å; W899-F956 HydrophobicContact CH2-CE2 4.27Å; W899-F956 AromaticContact CZ3-CD2 3.68Å; W899-F956 HydrophobicContact CZ3-CD2 3.68Å; W899-F956 AromaticContact CZ3-CE2 3.66Å; W899-F956 HydrophobicContact CZ3-CE2 3.66Å; Q909-F956 VanDerWaalsContact OE1-N 3.09Å; Q952-F956 PolarHBondContact O-N 2.65Å; Q952-F956 VanDerWaalsContact O-N 3.14Å; F956-N959 PolarHBondContact O-N 3.36Å; F956-F960 HydrophobicContact CD2-CB 4.24Å; F956-F960 HydrophobicContact CE2-CB 4.19Å; F956-F960 HydrophobicContact CE2-CD2 4.21Å; F956-F960 HydrophobicContact CE2-CG 4.48Å; F956-F960 VanDerWaalsContact O-CB 3.28Å; F956-F960 WeakPolarHBondContact O-CB 3.42Å; F956-F960 PolarHBondContact O-N 3.27Å; F956-L1020 HydrophobicContact CZ-CD1 4.27Å; F956-L1020 HydrophobicContact CZ-CD2 4.1Å
957	P	96	Very high	94.4	Very high	7 Å²	7	26.3 Å²	26.3	5%	0.045	12%	0.12	C	C	.	.	H	α-helix	trans	-55	-51.8	176.4	-18.5	26.8	0	0	0	114.6	Q879 L882 T883 R953 N959 F960 I961	Q879-P957 HydrophobicContact CB-CB 4.37Å; Q879-P957 HydrophobicContact CG-CB 4.06Å; L882-P957 HydrophobicContact CB-CG 4.01Å; L882-P957 HydrophobicContact CD1-CB 4.27Å; T883-P957 WeakPolarHBondContact OG1-CG 3.37Å; R953-P957 WeakPolarHBondContact O-CD 3.48Å; P957-N959 PolarHBondContact O-N 3.23Å; P957-F960 PolarHBondContact O-N 2.86Å; P957-I961 PolarHBondContact O-N 2.91Å
958	P	95.2	Very high	95	Very high	11 Å²	11	26 Å²	26	7%	0.071	12%	0.118	C	C	.	.	H	α-helix	trans	-61.2	-43	177.4	9.9	-19.6	0	0	0	114	Y827 N954 G955 F960 I961 H962	Y827-P958 VanDerWaalsContact O-CB 3.28Å; Y827-P958 WeakPolarHBondContact O-CB 3.32Å; N954-P958 WeakPolarHBondContact O-CD 3.46Å; N954-P958 WeakPolarHBondContact O-CG 3.48Å; G955-P958 VanDerWaalsContact O-CD 3.3Å; G955-P958 WeakPolarHBondContact O-CD 3.12Å; G955-P958 VanDerWaalsContact O-CG 3.28Å; G955-P958 WeakPolarHBondContact O-CG 3.2Å; P958-F960 VanDerWaalsContact C-N 3.32Å; P958-I961 PolarHBondContact O-N 3.22Å; P958-H962 WeakPolarHBondContact O-CB 3.28Å; P958-H962 PolarHBondContact O-CD2 3.44Å; P958-H962 VanDerWaalsContact O-CD2 3.25Å; P958-H962 PolarHBondContact O-N 3.45Å
959	N	96	Very high	95.5	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.016	11%	0.11	C	C	.	.	H	α-helix	trans	-70.6	-33.7	-175.4	-66.3	-23.8	0	0	0	111.3	R630 W899 Q909 Y911 G955 F956 P957 S963	R630-N959 WeakPolarHBondContact CD-OD1 3.25Å; R630-N959 HydrophobicContact CG-CB 4.13Å; R630-N959 PolarHBondContact NH1-OD1 3.23Å; W899-N959 HydrophobicContact CH2-CB 3.74Å; W899-N959 HydrophobicContact CZ2-CB 4.38Å; W899-N959 WeakPolarHBondContact CZ2-O 3.49Å; Q909-N959 PolarHBondContact OE1-ND2 3.34Å; Y911-N959 WeakPolarHBondContact CE2-ND2 3.46Å; Y911-N959 PolarHBondContact OH-ND2 3.06Å; G955-N959 WeakPolarHBondContact O-CB 3.28Å; G955-N959 PolarHBondContact O-N 3.48Å; G955-N959 PolarHBondContact O-ND2 2.87Å; F956-N959 PolarHBondContact O-N 3.36Å; P957-N959 PolarHBondContact O-N 3.23Å; N959-S963 WeakPolarHBondContact O-CB 3.47Å; N959-S963 PolarHBondContact O-N 2.95Å
960	F	97.6	Very high	95.7	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.018	10%	0.101	C	C	.	.	H	α-helix	trans	-61.9	-51	173.1	-172.5	-109.6	0	0	0	111.4	L762 L882 W899 F956 P957 P958 H962 S963 L964 I1016 L1017 L1020	L762-F960 HydrophobicContact CD1-CE1 4.2Å; L882-F960 HydrophobicContact CD1-CB 4.22Å; L882-F960 HydrophobicContact CD1-CD1 3.88Å; L882-F960 HydrophobicContact CD1-CG 4.25Å; W899-F960 AromaticContact CD1-CD2 3.88Å; W899-F960 AromaticContact CD1-CE2 3.92Å; W899-F960 HydrophobicContact CD2-CD2 4.24Å; W899-F960 AromaticContact CE2-CD2 3.82Å; W899-F960 HydrophobicContact CG-CD2 4.28Å; W899-F960 HydrophobicContact CG-CE2 4.47Å; W899-F960 HydrophobicContact CZ2-CB 4.31Å; W899-F960 HydrophobicContact CZ2-CD2 4.32Å; W899-F960 AromaticContact NE1-CD2 3.59Å; F956-F960 HydrophobicContact CD2-CB 4.24Å; F956-F960 HydrophobicContact CE2-CB 4.19Å; F956-F960 HydrophobicContact CE2-CD2 4.21Å; F956-F960 HydrophobicContact CE2-CG 4.48Å; F956-F960 VanDerWaalsContact O-CB 3.28Å; F956-F960 WeakPolarHBondContact O-CB 3.42Å; F956-F960 PolarHBondContact O-N 3.27Å; P957-F960 PolarHBondContact O-N 2.86Å; P958-F960 VanDerWaalsContact C-N 3.32Å; F960-H962 PolarHBondContact O-N 2.96Å; F960-S963 PolarHBondContact O-N 3.42Å; F960-S963 VanDerWaalsContact O-N 3.12Å; F960-S963 PolarHBondContact O-OG 3.28Å; F960-L964 HydrophobicContact CD1-CD1 4.34Å; F960-L964 HydrophobicContact CE1-CD1 3.91Å; F960-L964 HydrophobicContact CZ-CD1 4.34Å; F960-L964 PolarHBondContact O-N 3.02Å; F960-I1016 HydrophobicContact CE1-CG2 4.28Å; F960-I1016 HydrophobicContact CZ-CG2 3.68Å; F960-L1017 HydrophobicContact CE1-CD2 4.02Å; F960-L1017 HydrophobicContact CZ-CD2 4.38Å; F960-L1020 HydrophobicContact CD2-CD2 4.31Å; F960-L1020 HydrophobicContact CE2-CD1 4.29Å; F960-L1020 HydrophobicContact CE2-CD2 3.77Å; F960-L1020 HydrophobicContact CE2-CG 4.43Å; F960-L1020 HydrophobicContact CZ-CD2 3.87Å
961	I	96.3	Very high	95.9	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-63.5	-44.2	178	-63	-57.7	0	0	0	112.1	H758 Y759 L762 Y827 P957 P958 S963 L964 D965	H758-I961 HydrophobicContact CB-CD1 4.27Å; H758-I961 HydrophobicContact CB-CG2 4.05Å; Y759-I961 HydrophobicContact CD1-CD1 3.95Å; Y759-I961 HydrophobicContact CD1-CG1 4.42Å; Y759-I961 HydrophobicContact CD2-CD1 4.34Å; Y759-I961 HydrophobicContact CD2-CG1 4.25Å; Y759-I961 HydrophobicContact CE1-CD1 3.72Å; Y759-I961 HydrophobicContact CE1-CG1 3.81Å; Y759-I961 HydrophobicContact CE2-CD1 4.12Å; Y759-I961 HydrophobicContact CE2-CG1 3.61Å; Y759-I961 HydrophobicContact CG-CD1 4.24Å; Y759-I961 WeakPolarHBondContact OH-CG1 3.37Å; L762-I961 HydrophobicContact CD1-CD1 3.66Å; Y827-I961 HydrophobicContact CE1-CG2 4.09Å; P957-I961 PolarHBondContact O-N 2.91Å; P958-I961 PolarHBondContact O-N 3.22Å; I961-S963 PolarHBondContact O-N 3.36Å; I961-L964 HydrophobicContact CD1-CD1 4.46Å; I961-L964 PolarHBondContact O-N 2.93Å; I961-D965 PolarHBondContact O-N 3.25Å
962	H	94.6	Very high	96.2	Very high	14 Å²	14	10.1 Å²	10.1	7%	0.065	5%	0.049	C	C	.	.	H	α-helix	trans	-58.1	-32.8	174.4	-85.4	-55	0	0	0	113	R632 Y827 P958 F960 S966 H987	R632-H962 PolarHBondContact NH1-CE1 3.32Å; Y827-H962 AromaticContact CD1-CD2 3.7Å; Y827-H962 AromaticContact CD1-CE1 3.52Å; Y827-H962 AromaticContact CD1-NE2 3.27Å; Y827-H962 VanDerWaalsContact CD1-NE2 3.27Å; Y827-H962 WeakPolarHBondContact CD1-NE2 3.26Å; Y827-H962 AromaticContact CE1-CE1 3.36Å; Y827-H962 WeakPolarHBondContact CE1-CE1 3.41Å; Y827-H962 AromaticContact CE1-ND1 3.74Å; Y827-H962 AromaticContact CE1-NE2 3.65Å; Y827-H962 AromaticContact CG-NE2 3.67Å; Y827-H962 AromaticContact CZ-CE1 3.74Å; P958-H962 WeakPolarHBondContact O-CB 3.28Å; P958-H962 PolarHBondContact O-CD2 3.44Å; P958-H962 VanDerWaalsContact O-CD2 3.25Å; P958-H962 PolarHBondContact O-N 3.45Å; F960-H962 PolarHBondContact O-N 2.96Å; H962-S966 WeakPolarHBondContact O-CB 3.29Å; H962-S966 PolarHBondContact O-N 3.41Å; H962-S966 PolarHBondContact O-OG 2.92Å; H962-H987 AromaticContact ND1-NE2 3.45Å; H962-H987 PolarHBondContact ND1-NE2 2.65Å
963	S	96.8	Very high	96.3	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.007	5%	0.049	C	C	.	.	H	α-helix	trans	-72.1	-30.7	177	77.3	0	0	0	0	113.3	R630 W899 N959 F960 I961 S967	R630-S963 VanDerWaalsContact O-CA 3.26Å; R630-S963 WeakPolarHBondContact O-CA 3.38Å; R630-S963 WeakPolarHBondContact O-CB 3.41Å; W899-S963 PolarHBondContact NE1-OG 2.94Å; N959-S963 WeakPolarHBondContact O-CB 3.47Å; N959-S963 PolarHBondContact O-N 2.95Å; F960-S963 PolarHBondContact O-N 3.42Å; F960-S963 VanDerWaalsContact O-N 3.12Å; F960-S963 PolarHBondContact O-OG 3.28Å; I961-S963 PolarHBondContact O-N 3.36Å; S963-S967 WeakPolarHBondContact O-CB 3.41Å; S963-S967 PolarHBondContact O-N 3.32Å; S963-S967 PolarHBondContact O-OG 3.29Å
964	L	97.8	Very high	96.3	Very high	1 Å²	1	5.8 Å²	5.8	1%	0.005	3%	0.033	C	C	.	.	H	α-helix	trans	-74.9	-42.2	173.7	-63.7	179.5	0	0	0	111.7	L762 P902 F960 I961 S966 S967 H968 I1016	L762-L964 HydrophobicContact CD1-CD1 3.76Å; L762-L964 HydrophobicContact CD2-CD1 4.01Å; L762-L964 HydrophobicContact CG-CD1 4.19Å; P902-L964 HydrophobicContact CG-CD2 4.18Å; F960-L964 HydrophobicContact CD1-CD1 4.34Å; F960-L964 HydrophobicContact CE1-CD1 3.91Å; F960-L964 HydrophobicContact CZ-CD1 4.34Å; F960-L964 PolarHBondContact O-N 3.02Å; I961-L964 HydrophobicContact CD1-CD1 4.46Å; I961-L964 PolarHBondContact O-N 2.93Å; L964-S966 VanDerWaalsContact C-N 3.3Å; L964-S966 PolarHBondContact O-N 3.06Å; L964-S967 WeakPolarHBondContact O-CB 3.31Å; L964-S967 PolarHBondContact O-N 2.91Å; L964-S967 VanDerWaalsContact O-N 3.14Å; L964-H968 PolarHBondContact O-N 3.04Å; L964-I1016 HydrophobicContact CD1-CD1 4.46Å; L964-I1016 HydrophobicContact CD1-CG2 4.24Å; L964-I1016 HydrophobicContact CD2-CD1 4.13Å; L964-I1016 HydrophobicContact CD2-CG2 4.05Å
965	D	95.9	Very high	96.4	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-58.7	-44.9	173.3	-176.1	10.8	0	0	0	110.4	N754 H758 I961 S967 H968 M969 H987	N754-D965 VanDerWaalsContact CG-CG 3.43Å; N754-D965 VanDerWaalsContact CG-OD1 3.3Å; N754-D965 PolarHBondContact ND2-OD1 3.16Å; N754-D965 PolarHBondContact OD1-OD1 3.2Å; N754-D965 PolarHBondContact OD1-OD2 2.95Å; H758-D965 WeakPolarHBondContact NE2-CA 3.46Å; I961-D965 PolarHBondContact O-N 3.25Å; D965-S967 VanDerWaalsContact C-N 3.3Å; D965-S967 PolarHBondContact O-N 2.97Å; D965-H968 PolarHBondContact O-N 3.42Å; D965-M969 PolarHBondContact O-N 3.12Å; D965-H987 IonicContact OD1-CE1 2.71Å; D965-H987 IonicContact OD1-ND1 3.62Å; D965-H987 IonicContact OD2-CD2 2.9Å; D965-H987 IonicContact OD2-CE1 3.34Å; D965-H987 PolarHBondContact OD2-CE1 2.71Å; D965-H987 IonicContact OD2-ND1 3.79Å; D965-H987 IonicContact OD2-NE2 3.4Å; D965-H987 PolarHBondContact OD2-NE2 3.38Å
966	S	96.6	Very high	96.4	Very high	1 Å²	1	3.9 Å²	3.9	1%	0.007	2%	0.02	C	C	.	.	H	α-helix	trans	-62.8	-38.7	175.5	-57.5	0	0	0	0	111.7	G631 R632 H962 L964 M969 M970 H987	G631-S966 WeakPolarHBondContact O-CB 3.44Å; R632-S966 PolarHBondContact N-OG 3.5Å; H962-S966 WeakPolarHBondContact O-CB 3.29Å; H962-S966 PolarHBondContact O-N 3.41Å; H962-S966 PolarHBondContact O-OG 2.92Å; L964-S966 VanDerWaalsContact C-N 3.3Å; L964-S966 PolarHBondContact O-N 3.06Å; S966-M969 PolarHBondContact O-N 3Å; S966-M970 WeakPolarHBondContact O-CB 3.4Å; S966-M970 WeakPolarHBondContact O-CG 3.46Å; S966-M970 PolarHBondContact O-N 3.23Å; S966-H987 PolarHBondContact N-CE1 3.13Å; S966-H987 PolarHBondContact OG-CE1 3Å
967	S	97.6	Very high	96.2	Very high	2 Å²	2	5.3 Å²	5.3	1%	0.014	3%	0.026	C	C	.	.	H	α-helix	trans	-67	-38.6	177.2	-58.6	0	0	0	0	112.1	T901 L903 S963 L964 D965 M970 L971	T901-S967 WeakPolarHBondContact CB-OG 3.17Å; T901-S967 PolarHBondContact OG1-OG 3.45Å; L903-S967 WeakPolarHBondContact CD1-O 3.37Å; S963-S967 WeakPolarHBondContact O-CB 3.41Å; S963-S967 PolarHBondContact O-N 3.32Å; S963-S967 PolarHBondContact O-OG 3.29Å; L964-S967 WeakPolarHBondContact O-CB 3.31Å; L964-S967 PolarHBondContact O-N 2.91Å; L964-S967 VanDerWaalsContact O-N 3.14Å; D965-S967 VanDerWaalsContact C-N 3.3Å; D965-S967 PolarHBondContact O-N 2.97Å; S967-M970 PolarHBondContact O-N 3.33Å; S967-L971 WeakPolarHBondContact O-CG 3.32Å; S967-L971 PolarHBondContact O-N 3.34Å
968	H	97.6	Very high	95.8	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-64.8	-43.4	174.8	175.5	-132.8	0	0	0	111.9	L964 D965 L971 T972 L1004 F1008 L1011	L964-H968 PolarHBondContact O-N 3.04Å; D965-H968 PolarHBondContact O-N 3.42Å; H968-L971 PolarHBondContact O-N 3.08Å; H968-T972 PolarHBondContact NE2-OG1 3Å; H968-T972 WeakPolarHBondContact O-CB 3.26Å; H968-T972 PolarHBondContact O-N 3.26Å; H968-T972 PolarHBondContact O-OG1 3.25Å; H968-L1004 PolarHBondContact NE2-O 2.92Å; H968-F1008 PolarHBondContact CD2-N 3.13Å; H968-F1008 AromaticContact CE1-CD2 3.92Å; H968-F1008 AromaticContact ND1-CD2 3.87Å; H968-L1011 HydrophobicContact CB-CD2 3.82Å
969	M	97.2	Very high	95.6	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-60.7	-45.5	174	-176.8	-75.7	-57.7	0	0	111.4	L530 V633 D965 S966 T972 S973 F983 S985 F990	L530-M969 HydrophobicContact CD1-CE 4.44Å; L530-M969 HydrophobicContact CD1-SD 4.2Å; V633-M969 HydrophobicContact CB-CE 4.22Å; V633-M969 HydrophobicContact CG1-CE 3.58Å; V633-M969 HydrophobicContact CG2-CE 3.55Å; V633-M969 HydrophobicContact CG2-SD 4.39Å; D965-M969 PolarHBondContact O-N 3.12Å; S966-M969 PolarHBondContact O-N 3Å; M969-T972 PolarHBondContact O-N 3Å; M969-S973 VanDerWaalsContact O-CB 3.27Å; M969-S973 WeakPolarHBondContact O-CB 3.39Å; M969-S973 PolarHBondContact O-N 3.16Å; M969-F983 HydrophobicContact SD-CE1 4.21Å; M969-S985 VanDerWaalsContact CG-OG 3.3Å; M969-S985 WeakPolarHBondContact CG-OG 3.32Å; M969-F990 HydrophobicContact CB-CE1 3.78Å; M969-F990 HydrophobicContact CB-CZ 3.84Å; M969-F990 HydrophobicContact CG-CD1 4.28Å; M969-F990 HydrophobicContact CG-CE1 3.55Å; M969-F990 HydrophobicContact CG-CZ 4.06Å
970	M	97.6	Very high	95.4	Very high	1 Å²	1	8 Å²	8	1%	0.005	5%	0.045	C	C	.	.	H	α-helix	trans	-61.3	-45.7	177.6	-71.6	170	-171.2	0	0	112.2	A523 C526 L627 G631 V633 L903 S966 S967 S973 L974	A523-M970 HydrophobicContact CB-CE 4.17Å; A523-M970 HydrophobicContact CB-SD 4.09Å; C526-M970 HydrophobicContact CB-CB 4.09Å; C526-M970 HydrophobicContact CB-CG 3.88Å; L627-M970 HydrophobicContact CD2-CE 4.39Å; G631-M970 WeakPolarHBondContact O-CE 3.34Å; V633-M970 HydrophobicContact CG1-CE 4.4Å; L903-M970 HydrophobicContact CD1-CB 3.62Å; L903-M970 HydrophobicContact CD1-CG 4.46Å; L903-M970 HydrophobicContact CD1-SD 4.08Å; S966-M970 WeakPolarHBondContact O-CB 3.4Å; S966-M970 WeakPolarHBondContact O-CG 3.46Å; S966-M970 PolarHBondContact O-N 3.23Å; S967-M970 PolarHBondContact O-N 3.33Å; M970-S973 WeakPolarHBondContact O-CB 3.36Å; M970-S973 PolarHBondContact O-N 3.46Å; M970-L974 VanDerWaalsContact O-CG 3.29Å; M970-L974 WeakPolarHBondContact O-CG 3.27Å; M970-L974 PolarHBondContact O-N 3.1Å
971	L	97.2	Very high	95.2	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-58.1	-51.4	174.6	-76.6	163.3	0	0	0	111	L177 L178 L903 S967 H968 S973 L974 F975 Q1007 L1011	L177-L971 HydrophobicContact CB-CD2 3.86Å; L177-L971 HydrophobicContact CD1-CD1 4.23Å; L178-L971 HydrophobicContact CD2-CD2 3.64Å; L178-L971 HydrophobicContact CG-CD2 4.36Å; L903-L971 HydrophobicContact CD1-CG 4.2Å; L903-L971 HydrophobicContact CD2-CD2 3.75Å; L903-L971 HydrophobicContact CD2-CG 3.99Å; L903-L971 HydrophobicContact CG-CG 4.37Å; S967-L971 WeakPolarHBondContact O-CG 3.32Å; S967-L971 PolarHBondContact O-N 3.34Å; H968-L971 PolarHBondContact O-N 3.08Å; L971-S973 VanDerWaalsContact C-N 3.3Å; L971-S973 PolarHBondContact O-N 3.2Å; L971-L974 PolarHBondContact O-N 2.8Å; L971-F975 HydrophobicContact CD2-CE2 4.43Å; L971-F975 WeakPolarHBondContact O-CD2 3.49Å; L971-F975 PolarHBondContact O-N 3.13Å; L971-Q1007 HydrophobicContact CB-CB 3.88Å; L971-Q1007 HydrophobicContact CB-CG 4.06Å; L971-L1011 HydrophobicContact CD1-CB 4.02Å; L971-L1011 HydrophobicContact CD1-CD1 4.28Å
972	T	97.4	Very high	95.1	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-59.7	-44.2	-178.9	-55.4	0	0	0	0	111	H968 M969 C976 F983 F990 I1003 L1004	H968-T972 PolarHBondContact NE2-OG1 3Å; H968-T972 WeakPolarHBondContact O-CB 3.26Å; H968-T972 PolarHBondContact O-N 3.26Å; H968-T972 PolarHBondContact O-OG1 3.25Å; M969-T972 PolarHBondContact O-N 3Å; T972-C976 VanDerWaalsContact O-CB 3.25Å; T972-C976 WeakPolarHBondContact O-CB 3.45Å; T972-C976 PolarHBondContact O-N 2.8Å; T972-C976 PolarHBondContact O-SG 3.45Å; T972-F983 HydrophobicContact CG2-CE2 3.99Å; T972-F983 HydrophobicContact CG2-CZ 4.36Å; T972-F990 HydrophobicContact CG2-CD2 3.77Å; T972-F990 HydrophobicContact CG2-CE2 3.81Å; T972-I1003 HydrophobicContact CG2-CG2 4.32Å; T972-L1004 HydrophobicContact CG2-CB 4.08Å; T972-L1004 HydrophobicContact CG2-CG 4.48Å
973	S	96.3	Very high	95.1	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-52.7	-59.8	174.2	-171.3	0	0	0	0	110.4	Q529 M969 M970 L971 F975 C976 Q977 F983	Q529-S973 VanDerWaalsContact CD-O 3.22Å; Q529-S973 PolarHBondContact NE2-O 3.05Å; Q529-S973 PolarHBondContact NE2-OG 3.3Å; Q529-S973 PolarHBondContact OE1-O 3.37Å; Q529-S973 PolarHBondContact OE1-OG 3.14Å; M969-S973 VanDerWaalsContact O-CB 3.27Å; M969-S973 WeakPolarHBondContact O-CB 3.39Å; M969-S973 PolarHBondContact O-N 3.16Å; M970-S973 WeakPolarHBondContact O-CB 3.36Å; M970-S973 PolarHBondContact O-N 3.46Å; L971-S973 VanDerWaalsContact C-N 3.3Å; L971-S973 PolarHBondContact O-N 3.2Å; S973-F975 PolarHBondContact O-N 3.44Å; S973-C976 WeakPolarHBondContact O-CB 3.42Å; S973-C976 PolarHBondContact O-N 3.22Å; S973-C976 VanDerWaalsContact O-N 3.09Å; S973-Q977 PolarHBondContact O-N 3.16Å; S973-F983 VanDerWaalsContact CB-CE1 3.48Å; S973-F983 WeakPolarHBondContact OG-CD1 3.37Å
974	L	95	Very high	95.1	Very high	5 Å²	5	7.8 Å²	7.8	3%	0.026	5%	0.046	C	C	.	.	H	α-helix	trans	-59.6	-43.2	-174.2	-68	171	0	0	0	112.5	L178 L181 P522 D525 M970 L971 Q977 H978	L178-L974 HydrophobicContact CD1-CD1 4.39Å; L178-L974 HydrophobicContact CD2-CD1 3.77Å; L181-L974 HydrophobicContact CD1-CB 3.92Å; P522-L974 HydrophobicContact CB-CD1 4.37Å; D525-L974 HydrophobicContact CB-CD2 3.73Å; M970-L974 VanDerWaalsContact O-CG 3.29Å; M970-L974 WeakPolarHBondContact O-CG 3.27Å; M970-L974 PolarHBondContact O-N 3.1Å; L971-L974 PolarHBondContact O-N 2.8Å; L974-Q977 PolarHBondContact O-N 2.99Å; L974-H978 WeakPolarHBondContact O-CB 3.45Å; L974-H978 PolarHBondContact O-N 3.36Å
975	F	95.1	Very high	95	Very high	31 Å²	31	7.8 Å²	7.8	14%	0.136	5%	0.045	C	C	.	.	H	α-helix	trans	-70.4	-33.6	176.9	-82.7	-91.3	0	0	0	112.8	L178 L181 L971 S973 H978 A979 I1003 Q1007	L178-F975 HydrophobicContact CD2-CE2 4.19Å; L181-F975 HydrophobicContact CD1-CE2 4.45Å; L181-F975 HydrophobicContact CD2-CD1 3.64Å; L181-F975 HydrophobicContact CD2-CD2 3.95Å; L181-F975 HydrophobicContact CD2-CE1 3.71Å; L181-F975 HydrophobicContact CD2-CE2 4.03Å; L181-F975 HydrophobicContact CD2-CG 3.78Å; L181-F975 HydrophobicContact CD2-CZ 3.91Å; L181-F975 HydrophobicContact CG-CD2 4.4Å; L181-F975 HydrophobicContact CG-CE1 4.22Å; L181-F975 HydrophobicContact CG-CE2 4.06Å; L181-F975 HydrophobicContact CG-CZ 3.96Å; L971-F975 HydrophobicContact CD2-CE2 4.43Å; L971-F975 WeakPolarHBondContact O-CD2 3.49Å; L971-F975 PolarHBondContact O-N 3.13Å; S973-F975 PolarHBondContact O-N 3.44Å; F975-H978 PolarHBondContact O-N 3.47Å; F975-A979 WeakPolarHBondContact O-CB 3.14Å; F975-A979 PolarHBondContact O-N 2.97Å; F975-I1003 HydrophobicContact CB-CG2 3.54Å; F975-Q1007 HydrophobicContact CB-CG 4.36Å; F975-Q1007 HydrophobicContact CD2-CG 4.02Å; F975-Q1007 VanDerWaalsContact CD2-OE1 3.3Å; F975-Q1007 HydrophobicContact CG-CG 4.3Å
976	C	94.6	Very high	94.8	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-63.1	-44.4	171.5	-78.6	0	0	0	0	111.8	T972 S973 H978 A979 G980 L981 F983	T972-C976 VanDerWaalsContact O-CB 3.25Å; T972-C976 WeakPolarHBondContact O-CB 3.45Å; T972-C976 PolarHBondContact O-N 2.8Å; T972-C976 PolarHBondContact O-SG 3.45Å; S973-C976 WeakPolarHBondContact O-CB 3.42Å; S973-C976 PolarHBondContact O-N 3.22Å; S973-C976 VanDerWaalsContact O-N 3.09Å; C976-H978 VanDerWaalsContact C-N 3.33Å; C976-H978 PolarHBondContact O-N 3.5Å; C976-A979 CarbonylContact O-C 3.43Å; C976-A979 PolarHBondContact O-N 3.11Å; C976-G980 PolarHBondContact O-N 3.38Å; C976-G980 VanDerWaalsContact O-N 3.16Å; C976-L981 HydrophobicContact CB-CB 4.13Å; C976-L981 WeakPolarHBondContact O-CB 3.4Å; C976-L981 PolarHBondContact O-N 3.44Å; C976-F983 HydrophobicContact CB-CB 4.17Å; C976-F983 HydrophobicContact CB-CD2 4.02Å; C976-F983 HydrophobicContact CB-CG 4.28Å
977	Q	91	Very high	94.4	Very high	30 Å²	30	8.8 Å²	8.8	14%	0.14	5%	0.051	C	C	.	.	H	α-helix	trans	-62.4	-43.7	174.5	165.6	174.2	34.5	0	0	111.4	Q529 S973 L974 A979 G980	Q529-Q977 HydrophobicContact CG-CB 3.9Å; Q529-Q977 HydrophobicContact CG-CG 4.41Å; Q529-Q977 VanDerWaalsContact NE2-CB 3.29Å; S973-Q977 PolarHBondContact O-N 3.16Å; L974-Q977 PolarHBondContact O-N 2.99Å; Q977-A979 PolarHBondContact O-N 3.35Å; Q977-G980 PolarHBondContact O-N 3.49Å
978	H	89.3	Confident	93.9	Very high	33 Å²	33	11.2 Å²	11.2	15%	0.153	6%	0.064	C	C	.	.	H	α-helix	trans	-58.6	-39.6	178.6	-171.4	71.8	0	0	0	111.8	L181 V183 V185 R187 L974 F975 C976 G980	L181-H978 HydrophobicContact CD2-CB 3.63Å; V183-H978 PolarHBondContact O-CE1 2.84Å; V183-H978 PolarHBondContact O-NE2 2.74Å; V185-H978 VanDerWaalsContact CG2-NE2 3.29Å; V185-H978 WeakPolarHBondContact CG2-NE2 3.44Å; R187-H978 PolarHBondContact NE-O 3.45Å; R187-H978 VanDerWaalsContact NE-O 3.14Å; L974-H978 WeakPolarHBondContact O-CB 3.45Å; L974-H978 PolarHBondContact O-N 3.36Å; F975-H978 PolarHBondContact O-N 3.47Å; C976-H978 VanDerWaalsContact C-N 3.33Å; C976-H978 PolarHBondContact O-N 3.5Å; H978-G980 VanDerWaalsContact C-N 3.26Å; H978-G980 PolarHBondContact O-N 3.27Å
979	A	91.1	Very high	93.8	Very high	37 Å²	37	11.5 Å²	11.5	31%	0.306	7%	0.066	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	2.2	173.5	0	0	0	0	0	115	F975 C976 Q977 L981 I1003	F975-A979 WeakPolarHBondContact O-CB 3.14Å; F975-A979 PolarHBondContact O-N 2.97Å; C976-A979 CarbonylContact O-C 3.43Å; C976-A979 PolarHBondContact O-N 3.11Å; Q977-A979 PolarHBondContact O-N 3.35Å; A979-L981 HydrophobicContact CB-CD1 3.86Å; A979-L981 WeakPolarHBondContact O-CD1 3.41Å; A979-I1003 HydrophobicContact CB-CD1 3.81Å
980	G	90.3	Very high	93.8	Very high	7 Å²	7	11.5 Å²	11.5	7%	0.072	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	73	38.9	178.8	0	0	0	0	0	114.1	C976 Q977 H978	C976-G980 PolarHBondContact O-N 3.38Å; C976-G980 VanDerWaalsContact O-N 3.16Å; Q977-G980 PolarHBondContact O-N 3.49Å; H978-G980 VanDerWaalsContact C-N 3.26Å; H978-G980 PolarHBondContact O-N 3.27Å
981	L	93.3	Very high	93.7	Very high	8 Å²	8	11.6 Å²	11.6	4%	0.042	7%	0.066	C	C	.	.			trans	-102.7	141.5	173.4	-79.7	66	0	0	0	110.9	C976 A979 F983 T996 V999 M1000	C976-L981 HydrophobicContact CB-CB 4.13Å; C976-L981 WeakPolarHBondContact O-CB 3.4Å; C976-L981 PolarHBondContact O-N 3.44Å; A979-L981 HydrophobicContact CB-CD1 3.86Å; A979-L981 WeakPolarHBondContact O-CD1 3.41Å; L981-F983 PolarHBondContact O-N 2.82Å; L981-T996 HydrophobicContact CG-CG2 4.18Å; L981-V999 HydrophobicContact CD1-CG1 3.93Å; L981-V999 HydrophobicContact CD2-CB 4.24Å; L981-V999 HydrophobicContact CD2-CG1 4.15Å; L981-M1000 HydrophobicContact CD2-CB 3.88Å
982	T	95	Very high	93.8	Very high	6 Å²	6	11.6 Å²	11.6	4%	0.037	7%	0.066	C	C	.	.			trans	-64.9	129.5	158.4	-53.2	0	0	0	0	108.2	W189 T533 F654 T992 H993	W189-T982 WeakPolarHBondContact CH2-OG1 3.3Å; T533-T982 HydrophobicContact CG2-CG2 3.84Å; F654-T982 HydrophobicContact CD1-CG2 3.62Å; F654-T982 HydrophobicContact CD2-CG2 4.15Å; F654-T982 HydrophobicContact CE1-CG2 3.47Å; F654-T982 VanDerWaalsContact CE1-CG2 3.47Å; F654-T982 HydrophobicContact CE2-CG2 4Å; F654-T982 HydrophobicContact CG-CG2 3.97Å; F654-T982 HydrophobicContact CZ-CG2 3.65Å; T982-T992 WeakPolarHBondContact O-CB 3.37Å; T982-T992 PolarHBondContact O-OG1 2.91Å; T982-H993 PolarHBondContact OG1-CD2 3.49Å; T982-H993 VanDerWaalsContact OG1-CD2 3.28Å; T982-H993 PolarHBondContact OG1-NE2 2.71Å
983	F	95.4	Very high	93.8	Very high	1 Å²	1	11.7 Å²	11.7	0%	0.004	7%	0.067	C	C	.	.			trans	-134.2	126.4	179.5	-175.7	-94.8	0	0	0	110.3	L530 T533 M969 T972 S973 C976 L981 F990 W991 M1000	L530-F983 HydrophobicContact CD2-CD1 3.75Å; L530-F983 HydrophobicContact CD2-CE1 3.96Å; T533-F983 PolarHBondContact OG1-O 3.32Å; M969-F983 HydrophobicContact SD-CE1 4.21Å; T972-F983 HydrophobicContact CG2-CE2 3.99Å; T972-F983 HydrophobicContact CG2-CZ 4.36Å; S973-F983 VanDerWaalsContact CB-CE1 3.48Å; S973-F983 WeakPolarHBondContact OG-CD1 3.37Å; C976-F983 HydrophobicContact CB-CB 4.17Å; C976-F983 HydrophobicContact CB-CD2 4.02Å; C976-F983 HydrophobicContact CB-CG 4.28Å; L981-F983 PolarHBondContact O-N 2.82Å; F983-F990 HydrophobicContact CE2-CB 3.76Å; F983-F990 HydrophobicContact CE2-CD2 4.06Å; F983-F990 AromaticContact CE2-CG 3.87Å; F983-F990 HydrophobicContact CE2-CG 3.87Å; F983-F990 HydrophobicContact CZ-CB 4.09Å; F983-F990 AromaticContact CZ-CD1 3.99Å; F983-F990 HydrophobicContact CZ-CD1 3.99Å; F983-F990 HydrophobicContact CZ-CD2 4.1Å; F983-F990 AromaticContact CZ-CG 3.79Å; F983-F990 HydrophobicContact CZ-CG 3.79Å; F983-W991 WeakPolarHBondContact CA-O 3.48Å; F983-M1000 HydrophobicContact CD2-SD 4.22Å; F983-M1000 HydrophobicContact CE2-SD 4.24Å
984	A	96.4	Very high	93.8	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.008	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	161.2	165.2	0	0	0	0	0	109.5	W535 F654 W991	W535-A984 HydrophobicContact CH2-CB 3.96Å; W535-A984 HydrophobicContact CZ2-CB 3.67Å; F654-A984 HydrophobicContact CE1-CB 4.32Å; A984-W991 HydrophobicContact CB-CB 4.03Å; A984-W991 PolarHBondContact N-O 2.88Å; A984-W991 WeakPolarHBondContact O-CB 3.49Å; A984-W991 PolarHBondContact O-N 3.1Å
985	S	94.7	Very high	93.9	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	144.9	-177.6	177.9	0	0	0	0	111.9	H642 M969 H987 C989	H642-S985 PolarHBondContact NE2-O 3.32Å; M969-S985 VanDerWaalsContact CG-OG 3.3Å; M969-S985 WeakPolarHBondContact CG-OG 3.32Å; S985-H987 PolarHBondContact OG-N 2.87Å; S985-C989 WeakPolarHBondContact CA-O 3.4Å
986	V	92	Very high	94	Very high	18 Å²	18	12 Å²	12	11%	0.109	7%	0.073	C	C	.	.	S	Bend	trans	-110.4	58.1	161.4	-166.9	0	0	0	0	108.5	M643 D988 C989 W991	M643-V986 HydrophobicContact CB-CG1 4.08Å; M643-V986 HydrophobicContact CB-CG2 4.46Å; M643-V986 HydrophobicContact CE-CG1 3.93Å; M643-V986 HydrophobicContact CG-CB 4.27Å; M643-V986 HydrophobicContact CG-CG1 3.98Å; M643-V986 HydrophobicContact CG-CG2 4.06Å; V986-D988 VanDerWaalsContact C-N 3.29Å; V986-D988 PolarHBondContact O-N 3.47Å; V986-C989 HydrophobicContact CB-CB 4.2Å; V986-C989 PolarHBondContact N-O 2.72Å; V986-W991 HydrophobicContact CG2-CZ2 4.08Å
987	H	87.3	Confident	94.1	Very high	4 Å²	4	12 Å²	12	2%	0.019	7%	0.073	C	C	.	.	S	Bend	trans	63	-64.9	-177.6	-170.3	13.3	0	0	0	116.6	R632 H962 D965 S966 S985 F990	R632-H987 WeakPolarHBondContact CG-NE2 3.17Å; R632-H987 VanDerWaalsContact CZ-CD2 3.5Å; R632-H987 PolarHBondContact NE-CD2 2.96Å; H962-H987 AromaticContact ND1-NE2 3.45Å; H962-H987 PolarHBondContact ND1-NE2 2.65Å; D965-H987 IonicContact OD1-CE1 2.71Å; D965-H987 IonicContact OD1-ND1 3.62Å; D965-H987 IonicContact OD2-CD2 2.9Å; D965-H987 IonicContact OD2-CE1 3.34Å; D965-H987 PolarHBondContact OD2-CE1 2.71Å; D965-H987 IonicContact OD2-ND1 3.79Å; D965-H987 IonicContact OD2-NE2 3.4Å; D965-H987 PolarHBondContact OD2-NE2 3.38Å; S966-H987 PolarHBondContact N-CE1 3.13Å; S966-H987 PolarHBondContact OG-CE1 3Å; S985-H987 PolarHBondContact OG-N 2.87Å; H987-F990 VanDerWaalsContact O-CE1 3.29Å; H987-F990 WeakPolarHBondContact O-CE1 3Å
988	D	88.7	Confident	94.4	Very high	54 Å²	54	13.7 Å²	13.7	29%	0.289	8%	0.083	S	C	.	.	S	Bend	trans	-115.8	14.4	-176.4	60.2	-18.8	0	0	0	112.5	G751 N754 V986 F1070	G751-D988 PolarHBondContact N-O 3.14Å; G751-D988 VanDerWaalsContact N-O 3.12Å; N754-D988 HydrophobicContact CB-CB 3.96Å; V986-D988 VanDerWaalsContact C-N 3.29Å; V986-D988 PolarHBondContact O-N 3.47Å; D988-F1070 VanDerWaalsContact O-CE1 3.32Å; D988-F1070 WeakPolarHBondContact O-CE1 3.21Å
989	C	94.3	Very high	94.7	Very high	6 Å²	6	14.5 Å²	14.5	4%	0.041	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	112.9	-176.7	163.1	0	0	0	0	107.7	Q749 D750 S985 V986 W991	Q749-C989 WeakPolarHBondContact O-CA 3.29Å; D750-C989 PolarHBondContact OD1-SG 2.97Å; S985-C989 WeakPolarHBondContact CA-O 3.4Å; V986-C989 HydrophobicContact CB-CB 4.2Å; V986-C989 PolarHBondContact N-O 2.72Å; C989-W991 PolarHBondContact SG-NE1 3.1Å
990	F	96.9	Very high	95	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	135.9	-168.6	-60.5	-10	0	0	0	111.5	H748 Q749 M969 T972 F983 H987 M1000 L1004 F1070	H748-F990 CarbonylContact C-O 3.55Å; H748-F990 VanDerWaalsContact CA-O 3.25Å; H748-F990 WeakPolarHBondContact CA-O 3.37Å; Q749-F990 PolarHBondContact N-O 2.66Å; Q749-F990 PolarHBondContact O-N 3.46Å; M969-F990 HydrophobicContact CB-CE1 3.78Å; M969-F990 HydrophobicContact CB-CZ 3.84Å; M969-F990 HydrophobicContact CG-CD1 4.28Å; M969-F990 HydrophobicContact CG-CE1 3.55Å; M969-F990 HydrophobicContact CG-CZ 4.06Å; T972-F990 HydrophobicContact CG2-CD2 3.77Å; T972-F990 HydrophobicContact CG2-CE2 3.81Å; F983-F990 HydrophobicContact CE2-CB 3.76Å; F983-F990 HydrophobicContact CE2-CD2 4.06Å; F983-F990 AromaticContact CE2-CG 3.87Å; F983-F990 HydrophobicContact CE2-CG 3.87Å; F983-F990 HydrophobicContact CZ-CB 4.09Å; F983-F990 AromaticContact CZ-CD1 3.99Å; F983-F990 HydrophobicContact CZ-CD1 3.99Å; F983-F990 HydrophobicContact CZ-CD2 4.1Å; F983-F990 AromaticContact CZ-CG 3.79Å; F983-F990 HydrophobicContact CZ-CG 3.79Å; H987-F990 VanDerWaalsContact O-CE1 3.29Å; H987-F990 WeakPolarHBondContact O-CE1 3Å; F990-M1000 HydrophobicContact CB-CE 4.26Å; F990-M1000 HydrophobicContact CB-SD 3.95Å; F990-L1004 HydrophobicContact CD2-CD1 3.3Å; F990-L1004 HydrophobicContact CD2-CG 3.97Å; F990-L1004 HydrophobicContact CE2-CD1 3.69Å; F990-L1004 HydrophobicContact CE2-CG 3.91Å; F990-L1004 HydrophobicContact CG-CD1 4.29Å; F990-F1070 HydrophobicContact CD2-CE1 4.18Å; F990-F1070 HydrophobicContact CE1-CE1 4.36Å; F990-F1070 AromaticContact CE2-CE1 3.99Å; F990-F1070 HydrophobicContact CE2-CE1 3.99Å; F990-F1070 HydrophobicContact CE2-CZ 4.29Å; F990-F1070 HydrophobicContact CG-CE1 4.39Å; F990-F1070 HydrophobicContact CZ-CE1 4.06Å; F990-F1070 HydrophobicContact CZ-CZ 4.26Å
991	W	97.2	Very high	95.3	Very high	3 Å²	3	12.8 Å²	12.8	1%	0.011	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	136.3	-165.7	-62.6	35.2	0	0	0	110.3	W535 H642 R649 F654 P746 I747 H748 F983 A984 V986 C989	W535-W991 HydrophobicContact CH2-CE3 4.17Å; W535-W991 HydrophobicContact CH2-CZ3 4.48Å; H642-W991 HydrophobicContact CB-CZ3 4.3Å; R649-W991 HydrophobicContact CB-CH2 4.04Å; R649-W991 HydrophobicContact CG-CH2 3.79Å; R649-W991 HydrophobicContact CG-CZ2 4.29Å; F654-W991 HydrophobicContact CZ-CB 4.5Å; P746-W991 HydrophobicContact CB-CD2 4.49Å; P746-W991 HydrophobicContact CB-CE3 3.55Å; P746-W991 HydrophobicContact CB-CZ3 4.02Å; P746-W991 HydrophobicContact CG-CE3 3.9Å; P746-W991 HydrophobicContact CG-CZ3 3.82Å; I747-W991 VanDerWaalsContact O-CA 3.29Å; I747-W991 WeakPolarHBondContact O-CA 3.49Å; H748-W991 HydrophobicContact CB-CD2 3.98Å; H748-W991 HydrophobicContact CB-CG 3.72Å; H748-W991 HydrophobicContact CB-CZ2 4.41Å; H748-W991 VanDerWaalsContact CB-NE1 3.26Å; H748-W991 AromaticContact CG-NE1 4Å; F983-W991 WeakPolarHBondContact CA-O 3.48Å; A984-W991 HydrophobicContact CB-CB 4.03Å; A984-W991 PolarHBondContact N-O 2.88Å; A984-W991 WeakPolarHBondContact O-CB 3.49Å; A984-W991 PolarHBondContact O-N 3.1Å; V986-W991 HydrophobicContact CG2-CZ2 4.08Å; C989-W991 PolarHBondContact SG-NE1 3.1Å
992	T	97.5	Very high	95.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	-179.2	174.7	-168.9	0	0	0	0	111.1	I747 T982 T996 V997 M1000	I747-T992 PolarHBondContact N-O 3.06Å; I747-T992 PolarHBondContact O-N 3.46Å; T982-T992 WeakPolarHBondContact O-CB 3.37Å; T982-T992 PolarHBondContact O-OG1 2.91Å; T992-T996 WeakPolarHBondContact CG2-OG1 3.38Å; T992-T996 PolarHBondContact OG1-OG1 2.86Å; T992-V997 HydrophobicContact CG2-CG2 4.04Å; T992-M1000 HydrophobicContact CG2-CB 3.97Å; T992-M1000 HydrophobicContact CG2-CE 3.67Å; T992-M1000 HydrophobicContact CG2-CG 4.39Å; T992-M1000 HydrophobicContact CG2-SD 3.55Å; T992-M1000 VanDerWaalsContact CG2-SD 3.55Å
993	H	97.7	Very high	95.6	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.009	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	144.9	169.7	-70.2	-75.8	0	0	0	111.7	W189 F654 K656 R658 S743 T982 S995 T996 V997	W189-H993 AromaticContact CH2-NE2 3.85Å; F654-H993 AromaticContact CD2-CE1 3.47Å; F654-H993 VanDerWaalsContact CD2-CE1 3.47Å; F654-H993 WeakPolarHBondContact CD2-CE1 3.12Å; F654-H993 AromaticContact CD2-ND1 3.87Å; F654-H993 AromaticContact CD2-NE2 3.73Å; K656-H993 PolarHBondContact O-CE1 3.15Å; K656-H993 PolarHBondContact O-NE2 3.41Å; R658-H993 HydrophobicContact CB-CB 4.1Å; S743-H993 PolarHBondContact O-ND1 3.06Å; T982-H993 PolarHBondContact OG1-CD2 3.49Å; T982-H993 VanDerWaalsContact OG1-CD2 3.28Å; T982-H993 PolarHBondContact OG1-NE2 2.71Å; H993-S995 PolarHBondContact O-N 3.33Å; H993-S995 VanDerWaalsContact O-N 3.1Å; H993-T996 PolarHBondContact N-OG1 3Å; H993-T996 PolarHBondContact O-N 3.28Å; H993-T996 PolarHBondContact O-OG1 3.49Å; H993-V997 PolarHBondContact O-N 3.14Å
994	A	97.8	Very high	95.6	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.008	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-51.7	-38.7	-179.7	0	0	0	0	0	113.9	L660 G664 W667 I747 T996 V997	L660-A994 HydrophobicContact CD2-CB 3.79Å; G664-A994 VanDerWaalsContact O-CB 3.3Å; G664-A994 WeakPolarHBondContact O-CB 3.39Å; W667-A994 HydrophobicContact CB-CB 4.41Å; I747-A994 HydrophobicContact CD1-CB 4.29Å; I747-A994 HydrophobicContact CG1-CB 3.56Å; A994-T996 PolarHBondContact O-N 2.98Å; A994-T996 VanDerWaalsContact O-N 3.16Å; A994-V997 PolarHBondContact O-N 3.13Å
995	S	96.6	Very high	95.7	Very high	38 Å²	38	20.3 Å²	20.3	27%	0.266	10%	0.101	S	C	.	.	G	3₁₀ helix	trans	-69.1	-8.4	178.8	54.9	0	0	0	0	115	R658 V659 L660 H993	R658-S995 VanDerWaalsContact CD-OG 3.28Å; R658-S995 WeakPolarHBondContact CD-OG 3.35Å; R658-S995 WeakPolarHBondContact CG-OG 3.42Å; R658-S995 PolarHBondContact NE-OG 2.84Å; V659-S995 VanDerWaalsContact O-CB 3.24Å; V659-S995 WeakPolarHBondContact O-CB 3.47Å; V659-S995 PolarHBondContact O-OG 2.74Å; V659-S995 VanDerWaalsContact O-OG 3.05Å; L660-S995 WeakPolarHBondContact O-CB 3.44Å; H993-S995 PolarHBondContact O-N 3.33Å; H993-S995 VanDerWaalsContact O-N 3.1Å
996	T	96.3	Very high	95.9	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.012	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-119.2	2.6	-176.3	57.5	0	0	0	0	114	L981 T992 H993 A994 D998 V999 M1000	L981-T996 HydrophobicContact CG-CG2 4.18Å; T992-T996 WeakPolarHBondContact CG2-OG1 3.38Å; T992-T996 PolarHBondContact OG1-OG1 2.86Å; H993-T996 PolarHBondContact N-OG1 3Å; H993-T996 PolarHBondContact O-N 3.28Å; H993-T996 PolarHBondContact O-OG1 3.49Å; A994-T996 PolarHBondContact O-N 2.98Å; A994-T996 VanDerWaalsContact O-N 3.16Å; T996-D998 VanDerWaalsContact C-N 3.28Å; T996-D998 PolarHBondContact O-N 3.37Å; T996-V999 PolarHBondContact O-N 3.3Å; T996-V999 VanDerWaalsContact O-N 3.1Å; T996-M1000 PolarHBondContact O-N 3.06Å
997	V	97.4	Very high	96.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-56.8	-43.3	-179.1	172.8	0	0	0	0	111.1	W667 I747 Q749 T992 H993 A994 V999 M1000 N1001	W667-V997 HydrophobicContact CB-CG2 4.46Å; W667-V997 HydrophobicContact CD2-CB 3.99Å; W667-V997 HydrophobicContact CD2-CG1 3.65Å; W667-V997 HydrophobicContact CD2-CG2 4.5Å; W667-V997 HydrophobicContact CE3-CG1 3.91Å; W667-V997 HydrophobicContact CG-CB 3.98Å; W667-V997 HydrophobicContact CG-CG1 4.19Å; W667-V997 HydrophobicContact CG-CG2 4.28Å; W667-V997 HydrophobicContact CH2-CG1 4.02Å; W667-V997 HydrophobicContact CZ2-CG1 3.77Å; W667-V997 HydrophobicContact CZ3-CG1 4.08Å; I747-V997 HydrophobicContact CB-CG2 4Å; I747-V997 HydrophobicContact CG2-CG2 3.77Å; Q749-V997 HydrophobicContact CG-CG1 4.05Å; T992-V997 HydrophobicContact CG2-CG2 4.04Å; H993-V997 PolarHBondContact O-N 3.14Å; A994-V997 PolarHBondContact O-N 3.13Å; V997-V999 VanDerWaalsContact C-N 3.32Å; V997-V999 PolarHBondContact O-N 2.97Å; V997-M1000 PolarHBondContact O-N 2.9Å; V997-N1001 VanDerWaalsContact O-CB 3.27Å; V997-N1001 WeakPolarHBondContact O-CB 3.27Å; V997-N1001 VanDerWaalsContact O-CG 3.25Å; V997-N1001 PolarHBondContact O-N 3.43Å
998	D	96.4	Very high	96.7	Very high	67 Å²	67	23 Å²	23	36%	0.358	11%	0.113	S	C	.	.	H	α-helix	trans	-61.7	-39.2	178.8	-69.9	-29.2	0	0	0	112.1	R663 W667 T996 R1002	R663-D998 IonicContact CZ-OD2 4Å; R663-D998 IonicContact NE-OD2 2.67Å; R663-D998 PolarHBondContact NE-OD2 3.14Å; R663-D998 VanDerWaalsContact NE-OD2 3.15Å; R663-D998 IonicContact NH2-OD1 2.99Å; R663-D998 PolarHBondContact NH2-OD1 3.27Å; R663-D998 IonicContact NH2-OD2 3.27Å; R663-D998 PolarHBondContact NH2-OD2 3.19Å; W667-D998 VanDerWaalsContact CZ2-OD1 3.24Å; W667-D998 WeakPolarHBondContact CZ2-OD1 3.45Å; W667-D998 VanDerWaalsContact NE1-CG 3.32Å; W667-D998 PolarHBondContact NE1-OD1 3.5Å; W667-D998 PolarHBondContact NE1-OD2 3.27Å; T996-D998 VanDerWaalsContact C-N 3.28Å; T996-D998 PolarHBondContact O-N 3.37Å; D998-R1002 PolarHBondContact O-N 3.29Å; D998-R1002 VanDerWaalsContact O-N 3.11Å
999	V	96.1	Very high	97.1	Very high	50 Å²	50	21.1 Å²	21.1	30%	0.303	10%	0.103	S	C	.	.	H	α-helix	trans	-69.7	-46.1	177.2	-179.3	0	0	0	0	111	L981 T996 V997 N1001 R1002 I1003	L981-V999 HydrophobicContact CD1-CG1 3.93Å; L981-V999 HydrophobicContact CD2-CB 4.24Å; L981-V999 HydrophobicContact CD2-CG1 4.15Å; T996-V999 PolarHBondContact O-N 3.3Å; T996-V999 VanDerWaalsContact O-N 3.1Å; V997-V999 VanDerWaalsContact C-N 3.32Å; V997-V999 PolarHBondContact O-N 2.97Å; V999-N1001 VanDerWaalsContact C-N 3.32Å; V999-N1001 PolarHBondContact O-N 3.08Å; V999-R1002 PolarHBondContact O-N 3.05Å; V999-I1003 HydrophobicContact CG1-CD1 4.05Å; V999-I1003 WeakPolarHBondContact O-CG1 3.48Å; V999-I1003 PolarHBondContact O-N 3.42Å
1000	M	97.2	Very high	97.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.1	-44.5	175.5	-176.8	-179.5	70.6	0	0	110.9	Q749 L981 F983 F990 T992 T996 V997 R1002 I1003 L1004	Q749-M1000 HydrophobicContact CB-CE 4Å; Q749-M1000 HydrophobicContact CG-CE 3.52Å; L981-M1000 HydrophobicContact CD2-CB 3.88Å; F983-M1000 HydrophobicContact CD2-SD 4.22Å; F983-M1000 HydrophobicContact CE2-SD 4.24Å; F990-M1000 HydrophobicContact CB-CE 4.26Å; F990-M1000 HydrophobicContact CB-SD 3.95Å; T992-M1000 HydrophobicContact CG2-CB 3.97Å; T992-M1000 HydrophobicContact CG2-CE 3.67Å; T992-M1000 HydrophobicContact CG2-CG 4.39Å; T992-M1000 HydrophobicContact CG2-SD 3.55Å; T992-M1000 VanDerWaalsContact CG2-SD 3.55Å; T996-M1000 PolarHBondContact O-N 3.06Å; V997-M1000 PolarHBondContact O-N 2.9Å; M1000-R1002 VanDerWaalsContact C-N 3.3Å; M1000-R1002 PolarHBondContact O-N 3.31Å; M1000-I1003 PolarHBondContact O-N 3.47Å; M1000-L1004 WeakPolarHBondContact O-CB 3.32Å; M1000-L1004 PolarHBondContact O-N 3.2Å
1001	N	96.9	Very high	97.4	Very high	8 Å²	8	22.4 Å²	22.4	4%	0.043	11%	0.114	C	C	.	.	H	α-helix	trans	-62.6	-36.7	179.8	-79.6	-12.6	0	0	0	112.3	Q749 V997 V999 R1005	Q749-N1001 PolarHBondContact OE1-ND2 2.9Å; Q749-N1001 VanDerWaalsContact OE1-ND2 3.14Å; V997-N1001 VanDerWaalsContact O-CB 3.27Å; V997-N1001 WeakPolarHBondContact O-CB 3.27Å; V997-N1001 VanDerWaalsContact O-CG 3.25Å; V997-N1001 PolarHBondContact O-N 3.43Å; V999-N1001 VanDerWaalsContact C-N 3.32Å; V999-N1001 PolarHBondContact O-N 3.08Å; N1001-R1005 WeakPolarHBondContact O-CG 3.47Å; N1001-R1005 PolarHBondContact O-N 3.32Å; N1001-R1005 PolarHBondContact O-NE 3.15Å; N1001-R1005 PolarHBondContact O-NH1 2.61Å; N1001-R1005 PolarHBondContact O-NH2 2.84Å
1002	R	97.4	Very high	97.4	Very high	124 Å²	124	22.4 Å²	22.4	47%	0.468	11%	0.114	S	C	.	.	H	α-helix	trans	-63.6	-53.7	172.3	177.2	176.4	65.9	93.9	-5.4	111.3	D998 V999 M1000 L1004 R1005 E1006	D998-R1002 PolarHBondContact O-N 3.29Å; D998-R1002 VanDerWaalsContact O-N 3.11Å; V999-R1002 PolarHBondContact O-N 3.05Å; M1000-R1002 VanDerWaalsContact C-N 3.3Å; M1000-R1002 PolarHBondContact O-N 3.31Å; R1002-L1004 VanDerWaalsContact C-N 3.28Å; R1002-L1004 PolarHBondContact O-N 3.43Å; R1002-R1005 PolarHBondContact O-N 3.07Å; R1002-E1006 WeakPolarHBondContact CD-OE1 3.38Å; R1002-E1006 HydrophobicContact CG-CG 4.41Å; R1002-E1006 WeakPolarHBondContact CG-OE1 3.08Å; R1002-E1006 IonicContact CZ-OE1 2.77Å; R1002-E1006 IonicContact NH1-OE1 3.74Å; R1002-E1006 PolarHBondContact NH1-OE1 3.45Å; R1002-E1006 IonicContact NH1-OE2 3.3Å; R1002-E1006 WeakPolarHBondContact O-CG 3.39Å; R1002-E1006 PolarHBondContact O-N 3.21Å
1003	I	97.2	Very high	97.4	Very high	6 Å²	6	25.5 Å²	25.5	3%	0.031	14%	0.136	C	C	.	.	H	α-helix	trans	-56.7	-46.1	179.3	-67.6	169.7	0	0	0	110.4	T972 F975 A979 V999 M1000 R1005 E1006 Q1007	T972-I1003 HydrophobicContact CG2-CG2 4.32Å; F975-I1003 HydrophobicContact CB-CG2 3.54Å; A979-I1003 HydrophobicContact CB-CD1 3.81Å; V999-I1003 HydrophobicContact CG1-CD1 4.05Å; V999-I1003 WeakPolarHBondContact O-CG1 3.48Å; V999-I1003 PolarHBondContact O-N 3.42Å; M1000-I1003 PolarHBondContact O-N 3.47Å; I1003-R1005 VanDerWaalsContact C-N 3.31Å; I1003-R1005 PolarHBondContact O-N 2.89Å; I1003-E1006 PolarHBondContact O-N 3.19Å; I1003-Q1007 HydrophobicContact CG2-CG 4.04Å; I1003-Q1007 VanDerWaalsContact O-CG 3.3Å; I1003-Q1007 WeakPolarHBondContact O-CG 3.38Å; I1003-Q1007 PolarHBondContact O-N 3.26Å
1004	L	96.3	Very high	97.4	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-54.4	-45.5	179.5	-175.9	159.2	0	0	0	111.9	H968 T972 F990 M1000 R1002 F1008 F1069 F1070	H968-L1004 PolarHBondContact NE2-O 2.92Å; T972-L1004 HydrophobicContact CG2-CB 4.08Å; T972-L1004 HydrophobicContact CG2-CG 4.48Å; F990-L1004 HydrophobicContact CD2-CD1 3.3Å; F990-L1004 HydrophobicContact CD2-CG 3.97Å; F990-L1004 HydrophobicContact CE2-CD1 3.69Å; F990-L1004 HydrophobicContact CE2-CG 3.91Å; F990-L1004 HydrophobicContact CG-CD1 4.29Å; M1000-L1004 WeakPolarHBondContact O-CB 3.32Å; M1000-L1004 PolarHBondContact O-N 3.2Å; R1002-L1004 VanDerWaalsContact C-N 3.28Å; R1002-L1004 PolarHBondContact O-N 3.43Å; L1004-F1008 PolarHBondContact O-N 3.08Å; L1004-F1008 VanDerWaalsContact O-N 3.15Å; L1004-F1069 HydrophobicContact CD2-CD1 3.23Å; L1004-F1069 HydrophobicContact CD2-CE1 3.13Å; L1004-F1069 HydrophobicContact CD2-CG 4.38Å; L1004-F1069 HydrophobicContact CD2-CZ 4.19Å; L1004-F1069 HydrophobicContact CG-CE1 4.47Å; L1004-F1070 HydrophobicContact CD1-CB 3.86Å; L1004-F1070 HydrophobicContact CD1-CD1 3.53Å; L1004-F1070 HydrophobicContact CD1-CD2 4.06Å; L1004-F1070 HydrophobicContact CD1-CE1 4.01Å; L1004-F1070 HydrophobicContact CD1-CE2 4.5Å; L1004-F1070 HydrophobicContact CD1-CG 3.55Å; L1004-F1070 HydrophobicContact CD1-CZ 4.47Å; L1004-F1070 HydrophobicContact CD2-CB 4.15Å; L1004-F1070 HydrophobicContact CD2-CD1 4.43Å; L1004-F1070 HydrophobicContact CD2-CD2 3.45Å; L1004-F1070 VanDerWaalsContact CD2-CD2 3.45Å; L1004-F1070 HydrophobicContact CD2-CE2 3.89Å; L1004-F1070 HydrophobicContact CD2-CG 3.77Å; L1004-F1070 HydrophobicContact CG-CD2 4.31Å; L1004-F1070 HydrophobicContact CG-CG 4.3Å
1005	R	97.9	Very high	97.3	Very high	42 Å²	42	31.8 Å²	31.8	16%	0.158	17%	0.166	C	C	.	.	H	α-helix	trans	-68	-47.1	176.4	-73.7	-177.4	-71.3	-89.3	-1.4	111.8	N1001 R1002 I1003 Q1007 F1008 V1009 V1063 L1064 S1066 F1069	N1001-R1005 WeakPolarHBondContact O-CG 3.47Å; N1001-R1005 PolarHBondContact O-N 3.32Å; N1001-R1005 PolarHBondContact O-NE 3.15Å; N1001-R1005 PolarHBondContact O-NH1 2.61Å; N1001-R1005 PolarHBondContact O-NH2 2.84Å; R1002-R1005 PolarHBondContact O-N 3.07Å; I1003-R1005 VanDerWaalsContact C-N 3.31Å; I1003-R1005 PolarHBondContact O-N 2.89Å; R1005-Q1007 VanDerWaalsContact C-N 3.3Å; R1005-Q1007 PolarHBondContact O-N 3.44Å; R1005-F1008 PolarHBondContact O-N 3.39Å; R1005-V1009 WeakPolarHBondContact O-CG2 3.29Å; R1005-V1009 PolarHBondContact O-N 3.2Å; R1005-V1063 WeakPolarHBondContact CD-O 3.37Å; R1005-V1063 HydrophobicContact CG-CG1 4.35Å; R1005-V1063 WeakPolarHBondContact CG-O 3.48Å; R1005-L1064 HydrophobicContact CB-CD2 4.27Å; R1005-L1064 WeakPolarHBondContact CD-O 3.33Å; R1005-L1064 PolarHBondContact NE-O 3.18Å; R1005-S1066 PolarHBondContact NH1-O 3.24Å; R1005-F1069 HydrophobicContact CG-CD1 3.84Å
1006	E	98.2	Very high	97.4	Very high	69 Å²	69	30.5 Å²	30.5	32%	0.322	16%	0.156	S	C	.	.	H	α-helix	trans	-54.7	-46.8	178.1	-71	167.3	178.4	0	0	111	R1002 I1003 V1009 A1010 L1064	R1002-E1006 WeakPolarHBondContact CD-OE1 3.38Å; R1002-E1006 HydrophobicContact CG-CG 4.41Å; R1002-E1006 WeakPolarHBondContact CG-OE1 3.08Å; R1002-E1006 IonicContact CZ-OE1 2.77Å; R1002-E1006 IonicContact NH1-OE1 3.74Å; R1002-E1006 PolarHBondContact NH1-OE1 3.45Å; R1002-E1006 IonicContact NH1-OE2 3.3Å; R1002-E1006 WeakPolarHBondContact O-CG 3.39Å; R1002-E1006 PolarHBondContact O-N 3.21Å; I1003-E1006 PolarHBondContact O-N 3.19Å; E1006-V1009 PolarHBondContact O-N 2.87Å; E1006-A1010 WeakPolarHBondContact O-CB 3.42Å; E1006-A1010 PolarHBondContact O-N 3.34Å; E1006-L1064 HydrophobicContact CG-CD2 4.26Å
1007	Q	97.6	Very high	97.5	Very high	9 Å²	9	30.5 Å²	30.5	4%	0.042	16%	0.156	C	C	.	.	H	α-helix	trans	-72	-32.3	-178.9	-61.7	-38.7	-55.9	0	0	113.5	L971 F975 I1003 R1005 L1011	L971-Q1007 HydrophobicContact CB-CB 3.88Å; L971-Q1007 HydrophobicContact CB-CG 4.06Å; F975-Q1007 HydrophobicContact CB-CG 4.36Å; F975-Q1007 HydrophobicContact CD2-CG 4.02Å; F975-Q1007 VanDerWaalsContact CD2-OE1 3.3Å; F975-Q1007 HydrophobicContact CG-CG 4.3Å; I1003-Q1007 HydrophobicContact CG2-CG 4.04Å; I1003-Q1007 VanDerWaalsContact O-CG 3.3Å; I1003-Q1007 WeakPolarHBondContact O-CG 3.38Å; I1003-Q1007 PolarHBondContact O-N 3.26Å; R1005-Q1007 VanDerWaalsContact C-N 3.3Å; R1005-Q1007 PolarHBondContact O-N 3.44Å; Q1007-L1011 WeakPolarHBondContact O-CB 3.33Å; Q1007-L1011 PolarHBondContact O-N 2.86Å
1008	F	98	Very high	97.5	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	17%	0.169	C	C	.	.	H	α-helix	trans	-65.8	-44.7	173.2	-171.1	-95.3	0	0	0	111.2	Q757 H758 A761 L774 H968 L1004 R1005 L1011 H1012 I1060 V1063 F1069	Q757-F1008 HydrophobicContact CB-CZ 4.29Å; H758-F1008 AromaticContact CE1-CE2 3.87Å; H758-F1008 AromaticContact NE2-CE2 3.89Å; A761-F1008 HydrophobicContact CB-CE1 3.8Å; A761-F1008 HydrophobicContact CB-CZ 3.81Å; L774-F1008 HydrophobicContact CD1-CE1 4.39Å; L774-F1008 HydrophobicContact CD2-CD1 4.45Å; L774-F1008 HydrophobicContact CD2-CE1 3.7Å; L774-F1008 HydrophobicContact CD2-CZ 3.97Å; H968-F1008 PolarHBondContact CD2-N 3.13Å; H968-F1008 AromaticContact CE1-CD2 3.92Å; H968-F1008 AromaticContact ND1-CD2 3.87Å; L1004-F1008 PolarHBondContact O-N 3.08Å; L1004-F1008 VanDerWaalsContact O-N 3.15Å; R1005-F1008 PolarHBondContact O-N 3.39Å; F1008-L1011 PolarHBondContact O-N 2.99Å; F1008-H1012 AromaticContact CD1-CD2 3.76Å; F1008-H1012 AromaticContact CD2-CD2 3.75Å; F1008-H1012 AromaticContact CD2-NE2 3.93Å; F1008-H1012 AromaticContact CE1-CD2 3.46Å; F1008-H1012 VanDerWaalsContact CE1-CD2 3.46Å; F1008-H1012 WeakPolarHBondContact CE1-CD2 3.12Å; F1008-H1012 AromaticContact CE1-NE2 3.94Å; F1008-H1012 AromaticContact CE2-CD2 3.48Å; F1008-H1012 VanDerWaalsContact CE2-CD2 3.48Å; F1008-H1012 WeakPolarHBondContact CE2-CD2 3.18Å; F1008-H1012 AromaticContact CE2-NE2 3.29Å; F1008-H1012 VanDerWaalsContact CE2-NE2 3.29Å; F1008-H1012 WeakPolarHBondContact CE2-NE2 3.36Å; F1008-H1012 AromaticContact CG-CD2 3.92Å; F1008-H1012 AromaticContact CZ-CD2 3.32Å; F1008-H1012 WeakPolarHBondContact CZ-CD2 3.31Å; F1008-H1012 AromaticContact CZ-NE2 3.3Å; F1008-H1012 VanDerWaalsContact CZ-NE2 3.3Å; F1008-H1012 WeakPolarHBondContact CZ-NE2 3.42Å; F1008-H1012 PolarHBondContact O-CD2 3.25Å; F1008-H1012 PolarHBondContact O-N 3.27Å; F1008-I1060 HydrophobicContact CD1-CD1 4.39Å; F1008-I1060 HydrophobicContact CE1-CD1 4.08Å; F1008-V1063 HydrophobicContact CD1-CG1 3.98Å; F1008-V1063 HydrophobicContact CD1-CG2 4.22Å; F1008-V1063 HydrophobicContact CE1-CG2 4.29Å; F1008-F1069 HydrophobicContact CB-CE1 3.79Å; F1008-F1069 HydrophobicContact CB-CZ 3.88Å; F1008-F1069 HydrophobicContact CD1-CE1 4.45Å; F1008-F1069 AromaticContact CD1-CZ 3.97Å; F1008-F1069 HydrophobicContact CD1-CZ 3.97Å; F1008-F1069 HydrophobicContact CD2-CE1 4.21Å; F1008-F1069 HydrophobicContact CD2-CE2 4.27Å; F1008-F1069 AromaticContact CD2-CZ 3.43Å; F1008-F1069 HydrophobicContact CD2-CZ 3.43Å; F1008-F1069 VanDerWaalsContact CD2-CZ 3.43Å; F1008-F1069 HydrophobicContact CE1-CE2 4.5Å; F1008-F1069 HydrophobicContact CE1-CZ 4.32Å; F1008-F1069 HydrophobicContact CE2-CE2 4.21Å; F1008-F1069 AromaticContact CE2-CZ 3.81Å; F1008-F1069 HydrophobicContact CE2-CZ 3.81Å; F1008-F1069 AromaticContact CG-CE1 3.91Å; F1008-F1069 HydrophobicContact CG-CE1 3.91Å; F1008-F1069 HydrophobicContact CG-CE2 4.39Å; F1008-F1069 AromaticContact CG-CZ 3.48Å; F1008-F1069 HydrophobicContact CG-CZ 3.48Å; F1008-F1069 VanDerWaalsContact CG-CZ 3.48Å; F1008-F1069 HydrophobicContact CZ-CE2 4.33Å; F1008-F1069 HydrophobicContact CZ-CZ 4.24Å
1009	V	98.5	Very high	97.6	Very high	14 Å²	14	32.8 Å²	32.8	9%	0.085	17%	0.166	C	C	.	.	H	α-helix	trans	-64.1	-45	177.2	173.7	0	0	0	0	110.8	R1005 E1006 L1011 H1012 S1013 I1060 V1063 L1064	R1005-V1009 WeakPolarHBondContact O-CG2 3.29Å; R1005-V1009 PolarHBondContact O-N 3.2Å; E1006-V1009 PolarHBondContact O-N 2.87Å; V1009-L1011 PolarHBondContact O-N 2.79Å; V1009-H1012 PolarHBondContact O-N 3.37Å; V1009-S1013 VanDerWaalsContact O-CB 3.25Å; V1009-S1013 WeakPolarHBondContact O-CB 3.38Å; V1009-S1013 PolarHBondContact O-N 3.06Å; V1009-S1013 PolarHBondContact O-OG 3.3Å; V1009-I1060 HydrophobicContact CG1-CG2 4.37Å; V1009-I1060 WeakPolarHBondContact CG2-O 3.15Å; V1009-V1063 HydrophobicContact CG2-CB 3.77Å; V1009-V1063 HydrophobicContact CG2-CG1 4.26Å; V1009-L1064 HydrophobicContact CB-CD2 4.27Å; V1009-L1064 HydrophobicContact CG2-CD2 3.86Å; V1009-L1064 HydrophobicContact CG2-CG 4.02Å
1010	A	98.3	Very high	97.6	Very high	33 Å²	33	30.8 Å²	30.8	27%	0.273	15%	0.154	S	C	.	.	H	α-helix	trans	-58	-49	176.6	0	0	0	0	0	111.5	L177 E1006 S1013	L177-A1010 HydrophobicContact CD2-CB 4.03Å; L177-A1010 WeakPolarHBondContact CD2-O 3.34Å; E1006-A1010 WeakPolarHBondContact O-CB 3.42Å; E1006-A1010 PolarHBondContact O-N 3.34Å; A1010-S1013 PolarHBondContact O-N 2.89Å
1011	L	98.3	Very high	97.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-58.5	-52.3	178.5	179.3	63.2	0	0	0	111.8	L177 P902 H968 L971 Q1007 F1008 V1009 S1013 R1014 I1016	L177-L1011 HydrophobicContact CD1-CD1 4.13Å; P902-L1011 HydrophobicContact CB-CD1 3.7Å; P902-L1011 HydrophobicContact CG-CD1 3.71Å; H968-L1011 HydrophobicContact CB-CD2 3.82Å; L971-L1011 HydrophobicContact CD1-CB 4.02Å; L971-L1011 HydrophobicContact CD1-CD1 4.28Å; Q1007-L1011 WeakPolarHBondContact O-CB 3.33Å; Q1007-L1011 PolarHBondContact O-N 2.86Å; F1008-L1011 PolarHBondContact O-N 2.99Å; V1009-L1011 PolarHBondContact O-N 2.79Å; L1011-S1013 VanDerWaalsContact C-N 3.27Å; L1011-S1013 PolarHBondContact O-N 3.25Å; L1011-R1014 VanDerWaalsContact O-CB 3.3Å; L1011-R1014 WeakPolarHBondContact O-CB 3.45Å; L1011-R1014 WeakPolarHBondContact O-CG 3.4Å; L1011-R1014 PolarHBondContact O-N 3.35Å; L1011-I1016 HydrophobicContact CG-CD1 4.45Å
1012	H	98.2	Very high	97.7	Very high	3 Å²	3	36.5 Å²	36.5	1%	0.014	18%	0.179	C	C	.	.	H	α-helix	trans	-82.1	-1.2	-176.3	-74	-75.7	0	0	0	114.3	H758 A761 R764 F1008 V1009 R1014 I1060	H758-H1012 AromaticContact CE1-NE2 3.53Å; H758-H1012 AromaticContact CG-NE2 3.79Å; H758-H1012 AromaticContact ND1-CE1 3.32Å; H758-H1012 PolarHBondContact ND1-CE1 3.47Å; H758-H1012 VanDerWaalsContact ND1-CE1 3.32Å; H758-H1012 AromaticContact ND1-NE2 3.01Å; H758-H1012 PolarHBondContact ND1-NE2 3.3Å; A761-H1012 HydrophobicContact CB-CB 4.03Å; A761-H1012 WeakPolarHBondContact CB-ND1 3.38Å; R764-H1012 VanDerWaalsContact CZ-O 3.28Å; R764-H1012 PolarHBondContact NH1-O 3.05Å; R764-H1012 PolarHBondContact NH2-O 3.45Å; F1008-H1012 AromaticContact CD1-CD2 3.76Å; F1008-H1012 AromaticContact CD2-CD2 3.75Å; F1008-H1012 AromaticContact CD2-NE2 3.93Å; F1008-H1012 AromaticContact CE1-CD2 3.46Å; F1008-H1012 VanDerWaalsContact CE1-CD2 3.46Å; F1008-H1012 WeakPolarHBondContact CE1-CD2 3.12Å; F1008-H1012 AromaticContact CE1-NE2 3.94Å; F1008-H1012 AromaticContact CE2-CD2 3.48Å; F1008-H1012 VanDerWaalsContact CE2-CD2 3.48Å; F1008-H1012 WeakPolarHBondContact CE2-CD2 3.18Å; F1008-H1012 AromaticContact CE2-NE2 3.29Å; F1008-H1012 VanDerWaalsContact CE2-NE2 3.29Å; F1008-H1012 WeakPolarHBondContact CE2-NE2 3.36Å; F1008-H1012 AromaticContact CG-CD2 3.92Å; F1008-H1012 AromaticContact CZ-CD2 3.32Å; F1008-H1012 WeakPolarHBondContact CZ-CD2 3.31Å; F1008-H1012 AromaticContact CZ-NE2 3.3Å; F1008-H1012 VanDerWaalsContact CZ-NE2 3.3Å; F1008-H1012 WeakPolarHBondContact CZ-NE2 3.42Å; F1008-H1012 PolarHBondContact O-CD2 3.25Å; F1008-H1012 PolarHBondContact O-N 3.27Å; V1009-H1012 PolarHBondContact O-N 3.37Å; H1012-R1014 VanDerWaalsContact C-N 3.29Å; H1012-I1060 HydrophobicContact CB-CD1 3.76Å; H1012-I1060 HydrophobicContact CB-CG1 3.87Å
1013	S	97.6	Very high	97.7	Very high	66 Å²	66	32.9 Å²	32.9	46%	0.462	17%	0.167	S	C	.	.	H	α-helix	trans	-79.3	-15.8	165.3	-63.5	0	0	0	0	111.8	V1009 A1010 L1011	V1009-S1013 VanDerWaalsContact O-CB 3.25Å; V1009-S1013 WeakPolarHBondContact O-CB 3.38Å; V1009-S1013 PolarHBondContact O-N 3.06Å; V1009-S1013 PolarHBondContact O-OG 3.3Å; A1010-S1013 PolarHBondContact O-N 2.89Å; L1011-S1013 VanDerWaalsContact C-N 3.27Å; L1011-S1013 PolarHBondContact O-N 3.25Å
1014	R	97	Very high	97.6	Very high	86 Å²	86	32.6 Å²	32.6	33%	0.325	17%	0.166	S	C	.	.	S	Bend	trans	-70.6	148.7	172.5	-59.9	-59.8	-61.9	-177	-10.7	111.6	E176 L177 L1011 H1012 I1016	E176-R1014 IonicContact OE2-CZ 3.07Å; E176-R1014 IonicContact OE2-NH1 3.31Å; E176-R1014 PolarHBondContact OE2-NH1 3.18Å; E176-R1014 IonicContact OE2-NH2 2.71Å; E176-R1014 PolarHBondContact OE2-NH2 3.15Å; L177-R1014 HydrophobicContact CD1-CG 4.3Å; L177-R1014 HydrophobicContact CD2-CG 3.97Å; L177-R1014 HydrophobicContact CG-CG 4.4Å; L1011-R1014 VanDerWaalsContact O-CB 3.3Å; L1011-R1014 WeakPolarHBondContact O-CB 3.45Å; L1011-R1014 WeakPolarHBondContact O-CG 3.4Å; L1011-R1014 PolarHBondContact O-N 3.35Å; H1012-R1014 VanDerWaalsContact C-N 3.29Å; R1014-I1016 HydrophobicContact CB-CG1 4.04Å; R1014-I1016 PolarHBondContact O-N 3.48Å
1015	P	96.4	Very high	97.7	Very high	48 Å²	48	33.7 Å²	33.7	31%	0.312	17%	0.171	S	C	.	.			trans	-79.9	63.1	176.3	36.3	-36.6	0	0	0	110.8	L1017 E1018 D1019	P1015-L1017 PolarHBondContact O-N 3.16Å; P1015-E1018 WeakPolarHBondContact CA-OE2 3.38Å; P1015-E1018 HydrophobicContact CB-CB 4.05Å; P1015-E1018 HydrophobicContact CB-CG 4.25Å; P1015-E1018 WeakPolarHBondContact O-CB 3.35Å; P1015-E1018 PolarHBondContact O-N 3.4Å; P1015-D1019 PolarHBondContact O-N 3.38Å
1016	I	98	Very high	97.5	Very high	11 Å²	11	34.6 Å²	34.6	6%	0.056	18%	0.181	C	C	.	.	H	α-helix	trans	-57	-44.8	-167.6	-66.3	170	0	0	0	112.9	L762 P902 F960 L964 L1011 R1014 L1020	L762-I1016 HydrophobicContact CD2-CB 3.83Å; L762-I1016 HydrophobicContact CD2-CD1 3.92Å; L762-I1016 HydrophobicContact CD2-CG1 4.47Å; L762-I1016 HydrophobicContact CD2-CG2 3.79Å; P902-I1016 HydrophobicContact CG-CD1 4.33Å; P902-I1016 HydrophobicContact CG-CG1 3.98Å; F960-I1016 HydrophobicContact CE1-CG2 4.28Å; F960-I1016 HydrophobicContact CZ-CG2 3.68Å; L964-I1016 HydrophobicContact CD1-CD1 4.46Å; L964-I1016 HydrophobicContact CD1-CG2 4.24Å; L964-I1016 HydrophobicContact CD2-CD1 4.13Å; L964-I1016 HydrophobicContact CD2-CG2 4.05Å; L1011-I1016 HydrophobicContact CG-CD1 4.45Å; R1014-I1016 HydrophobicContact CB-CG1 4.04Å; R1014-I1016 PolarHBondContact O-N 3.48Å; I1016-L1020 WeakPolarHBondContact O-CB 3.45Å; I1016-L1020 PolarHBondContact O-N 3.01Å
1017	L	98	Very high	97.2	Very high	3 Å²	3	32 Å²	32	2%	0.016	17%	0.171	C	C	.	.	H	α-helix	trans	-73.2	-34.7	-178	-61.3	-177.5	0	0	0	111.4	L762 I878 W881 F960 P1015 S1021 L1052	L762-L1017 HydrophobicContact CD2-CD2 4.23Å; L762-L1017 HydrophobicContact CD2-CG 4.28Å; I878-L1017 HydrophobicContact CD1-CD1 4.28Å; I878-L1017 HydrophobicContact CG1-CD1 4.21Å; I878-L1017 HydrophobicContact CG2-CD2 4.45Å; W881-L1017 HydrophobicContact CZ3-CB 4.45Å; W881-L1017 HydrophobicContact CZ3-CD2 4.1Å; F960-L1017 HydrophobicContact CE1-CD2 4.02Å; F960-L1017 HydrophobicContact CZ-CD2 4.38Å; P1015-L1017 PolarHBondContact O-N 3.16Å; L1017-S1021 WeakPolarHBondContact O-CB 3.24Å; L1017-S1021 PolarHBondContact O-N 3.05Å; L1017-L1052 HydrophobicContact CB-CD2 4Å
1018	E	98.1	Very high	97	Very high	57 Å²	57	31.6 Å²	31.6	27%	0.266	17%	0.169	S	C	.	.	H	α-helix	trans	-66.1	-44.1	174.6	-63.2	75.4	179.5	0	0	111.4	P1015 S1021 K1022 L1052 K1055	P1015-E1018 WeakPolarHBondContact CA-OE2 3.38Å; P1015-E1018 HydrophobicContact CB-CB 4.05Å; P1015-E1018 HydrophobicContact CB-CG 4.25Å; P1015-E1018 WeakPolarHBondContact O-CB 3.35Å; P1015-E1018 PolarHBondContact O-N 3.4Å; E1018-S1021 WeakPolarHBondContact O-CB 3.5Å; E1018-S1021 PolarHBondContact O-N 2.89Å; E1018-K1022 WeakPolarHBondContact O-CG 3.31Å; E1018-K1022 PolarHBondContact O-N 3.47Å; E1018-L1052 HydrophobicContact CB-CD2 4.24Å; E1018-L1052 HydrophobicContact CG-CD2 3.61Å; E1018-K1055 WeakPolarHBondContact OE1-CE 3.41Å; E1018-K1055 IonicContact OE1-NZ 3.9Å; E1018-K1055 PolarHBondContact OE1-NZ 3.17Å; E1018-K1055 IonicContact OE2-NZ 3.79Å; E1018-K1055 PolarHBondContact OE2-NZ 3.27Å
1019	D	97.4	Very high	96.7	Very high	57 Å²	57	31.6 Å²	31.6	31%	0.305	17%	0.168	S	C	.	.	H	α-helix	trans	-68.9	-36	178	-68.8	-19.1	0	0	0	111.5	P1015 K1022 F1023	P1015-D1019 PolarHBondContact O-N 3.38Å; D1019-K1022 PolarHBondContact O-N 3.37Å; D1019-K1022 IonicContact OD1-NZ 3.6Å; D1019-K1022 PolarHBondContact OD1-NZ 2.92Å; D1019-F1023 WeakPolarHBondContact O-CB 3.42Å; D1019-F1023 PolarHBondContact O-N 2.89Å
1020	L	98.1	Very high	96.4	Very high	8 Å²	8	34.8 Å²	34.8	4%	0.042	19%	0.185	C	C	.	.	H	α-helix	trans	-59.3	-48.1	168.8	176.3	64.4	0	0	0	111.1	W881 L882 W899 F956 F960 I1016 K1022 F1023 L1024	W881-L1020 HydrophobicContact CH2-CD2 4.28Å; W881-L1020 HydrophobicContact CZ3-CD2 4Å; L882-L1020 HydrophobicContact CD2-CD2 3.62Å; W899-L1020 HydrophobicContact CB-CD1 3.61Å; W899-L1020 HydrophobicContact CG-CD1 4.31Å; F956-L1020 HydrophobicContact CZ-CD1 4.27Å; F956-L1020 HydrophobicContact CZ-CD2 4.1Å; F960-L1020 HydrophobicContact CD2-CD2 4.31Å; F960-L1020 HydrophobicContact CE2-CD1 4.29Å; F960-L1020 HydrophobicContact CE2-CD2 3.77Å; F960-L1020 HydrophobicContact CE2-CG 4.43Å; F960-L1020 HydrophobicContact CZ-CD2 3.87Å; I1016-L1020 WeakPolarHBondContact O-CB 3.45Å; I1016-L1020 PolarHBondContact O-N 3.01Å; L1020-K1022 PolarHBondContact O-N 2.84Å; L1020-F1023 PolarHBondContact O-N 3.41Å; L1020-L1024 HydrophobicContact CD1-CD1 4.11Å; L1020-L1024 HydrophobicContact CD1-CD2 4.31Å; L1020-L1024 HydrophobicContact CD1-CG 3.99Å; L1020-L1024 HydrophobicContact CG-CD1 4.04Å; L1020-L1024 HydrophobicContact CG-CG 4.31Å; L1020-L1024 VanDerWaalsContact O-CG 3.27Å; L1020-L1024 WeakPolarHBondContact O-CG 3.24Å; L1020-L1024 PolarHBondContact O-N 2.89Å
1021	S	98.4	Very high	95.6	Very high	8 Å²	8	40.4 Å²	40.4	6%	0.056	21%	0.205	C	C	.	.	H	α-helix	trans	-55.8	-50.3	178.3	178.3	0	0	0	0	111.7	L1017 E1018 F1023 L1024 I1025 F1049	L1017-S1021 WeakPolarHBondContact O-CB 3.24Å; L1017-S1021 PolarHBondContact O-N 3.05Å; E1018-S1021 WeakPolarHBondContact O-CB 3.5Å; E1018-S1021 PolarHBondContact O-N 2.89Å; S1021-F1023 PolarHBondContact O-N 2.93Å; S1021-L1024 PolarHBondContact O-N 3.35Å; S1021-I1025 WeakPolarHBondContact O-CG1 3.27Å; S1021-I1025 PolarHBondContact O-N 3.01Å; S1021-F1049 WeakPolarHBondContact CB-O 3.42Å; S1021-F1049 PolarHBondContact OG-O 3.39Å
1022	K	97.9	Very high	94.8	Very high	121 Å²	121	41.8 Å²	41.8	53%	0.526	22%	0.217	S	C	.	.	H	α-helix	trans	-56.7	-49.3	175.7	-66.3	169.5	-163.1	158.1	0	111.4	E1018 D1019 L1020 L1024 I1025 T1026	E1018-K1022 WeakPolarHBondContact O-CG 3.31Å; E1018-K1022 PolarHBondContact O-N 3.47Å; D1019-K1022 PolarHBondContact O-N 3.37Å; D1019-K1022 IonicContact OD1-NZ 3.6Å; D1019-K1022 PolarHBondContact OD1-NZ 2.92Å; L1020-K1022 PolarHBondContact O-N 2.84Å; K1022-L1024 VanDerWaalsContact C-N 3.31Å; K1022-L1024 PolarHBondContact O-N 3.31Å; K1022-I1025 PolarHBondContact O-N 3.4Å; K1022-T1026 PolarHBondContact O-N 3.19Å; K1022-T1026 PolarHBondContact O-OG1 2.93Å
1023	F	95.8	Very high	93.9	Very high	48 Å²	48	49.7 Å²	49.7	21%	0.211	25%	0.252	C	S	.	.	H	α-helix	trans	-57.7	-43.7	179.7	178.2	-84.4	0	0	0	112.1	Q898 W899 K900 D1019 L1020 S1021 T1027	Q898-F1023 HydrophobicContact CG-CE1 3.74Å; Q898-F1023 HydrophobicContact CG-CZ 3.95Å; Q898-F1023 VanDerWaalsContact O-CE1 3.27Å; Q898-F1023 WeakPolarHBondContact O-CE1 3.37Å; W899-F1023 VanDerWaalsContact CA-CE1 3.49Å; W899-F1023 HydrophobicContact CB-CD1 4.4Å; W899-F1023 HydrophobicContact CB-CE1 4.49Å; K900-F1023 HydrophobicContact CB-CE2 4.5Å; K900-F1023 HydrophobicContact CD-CE2 4.12Å; K900-F1023 HydrophobicContact CG-CD2 4.41Å; K900-F1023 HydrophobicContact CG-CE2 3.86Å; K900-F1023 HydrophobicContact CG-CZ 4.49Å; D1019-F1023 WeakPolarHBondContact O-CB 3.42Å; D1019-F1023 PolarHBondContact O-N 2.89Å; L1020-F1023 PolarHBondContact O-N 3.41Å; S1021-F1023 PolarHBondContact O-N 2.93Å; F1023-T1027 HydrophobicContact CE1-CG2 4.36Å; F1023-T1027 VanDerWaalsContact CE1-OG1 3.32Å; F1023-T1027 WeakPolarHBondContact CE1-OG1 3.3Å; F1023-T1027 WeakPolarHBondContact CZ-OG1 3.24Å; F1023-T1027 WeakPolarHBondContact O-CB 3.22Å; F1023-T1027 PolarHBondContact O-N 3.42Å; F1023-T1027 PolarHBondContact O-OG1 3.5Å
1024	L	96.5	Very high	93.3	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.6	-40.5	180	-66.9	179.4	0	0	0	111.8	L885 I889 L1020 S1021 K1022 Y1028 F1049	L885-L1024 HydrophobicContact CD1-CD1 3.42Å; L885-L1024 VanDerWaalsContact CD1-CD1 3.42Å; I889-L1024 HydrophobicContact CD1-CD2 3.91Å; L1020-L1024 HydrophobicContact CD1-CD1 4.11Å; L1020-L1024 HydrophobicContact CD1-CD2 4.31Å; L1020-L1024 HydrophobicContact CD1-CG 3.99Å; L1020-L1024 HydrophobicContact CG-CD1 4.04Å; L1020-L1024 HydrophobicContact CG-CG 4.31Å; L1020-L1024 VanDerWaalsContact O-CG 3.27Å; L1020-L1024 WeakPolarHBondContact O-CG 3.24Å; L1020-L1024 PolarHBondContact O-N 2.89Å; S1021-L1024 PolarHBondContact O-N 3.35Å; K1022-L1024 VanDerWaalsContact C-N 3.31Å; K1022-L1024 PolarHBondContact O-N 3.31Å; L1024-Y1028 HydrophobicContact CB-CD2 4.36Å; L1024-Y1028 HydrophobicContact CD2-CD2 3.91Å; L1024-Y1028 HydrophobicContact CD2-CE2 3.54Å; L1024-Y1028 WeakPolarHBondContact O-CB 3.28Å; L1024-Y1028 WeakPolarHBondContact O-CD2 3.2Å; L1024-Y1028 PolarHBondContact O-N 3.44Å; L1024-F1049 HydrophobicContact CB-CD2 3.85Å; L1024-F1049 HydrophobicContact CB-CE2 4.03Å; L1024-F1049 HydrophobicContact CB-CG 4.26Å
1025	I	97	Very high	92.9	Very high	24 Å²	24	46.8 Å²	46.8	12%	0.123	24%	0.237	C	C	.	.	H	α-helix	trans	-62	-53.9	175.4	-67	166.4	0	0	0	109.8	S1021 K1022 T1027 I1029 D1030 F1049 S1050	S1021-I1025 WeakPolarHBondContact O-CG1 3.27Å; S1021-I1025 PolarHBondContact O-N 3.01Å; K1022-I1025 PolarHBondContact O-N 3.4Å; I1025-T1027 VanDerWaalsContact C-N 3.3Å; I1025-T1027 PolarHBondContact O-N 2.92Å; I1025-I1029 HydrophobicContact CG2-CB 4.25Å; I1025-I1029 HydrophobicContact CG2-CG1 4.5Å; I1025-I1029 VanDerWaalsContact O-CA 3.31Å; I1025-I1029 WeakPolarHBondContact O-CA 3.42Å; I1025-I1029 WeakPolarHBondContact O-CB 3.37Å; I1025-I1029 PolarHBondContact O-N 2.95Å; I1025-D1030 PolarHBondContact O-N 2.94Å; I1025-F1049 HydrophobicContact CD1-CB 4.37Å; I1025-F1049 HydrophobicContact CG1-CB 3.85Å; I1025-F1049 HydrophobicContact CG1-CD2 4.04Å; I1025-F1049 HydrophobicContact CG1-CG 4.49Å; I1025-S1050 WeakPolarHBondContact CD1-OG 3.48Å
1026	T	94.8	Very high	92.4	Very high	60 Å²	60	52 Å²	52	37%	0.368	26%	0.262	S	S	.	.	I	π-helix	trans	-57.4	-44.3	179.5	-59.6	0	0	0	0	111.9	K1022 D1030 H1031	K1022-T1026 PolarHBondContact O-N 3.19Å; K1022-T1026 PolarHBondContact O-OG1 2.93Å; T1026-D1030 WeakPolarHBondContact CA-OD2 3.42Å; T1026-H1031 WeakPolarHBondContact CG2-NE2 3.49Å; T1026-H1031 WeakPolarHBondContact O-CB 3.35Å; T1026-H1031 PolarHBondContact O-CD2 3.19Å; T1026-H1031 PolarHBondContact O-N 3.32Å
1027	T	91	Very high	91.8	Very high	16 Å²	16	61.4 Å²	61.4	10%	0.098	30%	0.303	C	S	.	.	I	π-helix	trans	-74.4	-41.5	-174.9	-61	0	0	0	0	114.1	R895 Q898 F1023 I1025	R895-T1027 PolarHBondContact NH1-O 3.2Å; Q898-T1027 HydrophobicContact CG-CG2 4.18Å; Q898-T1027 VanDerWaalsContact NE2-CG2 3.26Å; F1023-T1027 HydrophobicContact CE1-CG2 4.36Å; F1023-T1027 VanDerWaalsContact CE1-OG1 3.32Å; F1023-T1027 WeakPolarHBondContact CE1-OG1 3.3Å; F1023-T1027 WeakPolarHBondContact CZ-OG1 3.24Å; F1023-T1027 WeakPolarHBondContact O-CB 3.22Å; F1023-T1027 PolarHBondContact O-N 3.42Å; F1023-T1027 PolarHBondContact O-OG1 3.5Å; I1025-T1027 VanDerWaalsContact C-N 3.3Å; I1025-T1027 PolarHBondContact O-N 2.92Å
1028	Y	92.9	Very high	91.4	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.317	C	S	.	.	I	π-helix	trans	-112.3	-11.4	-169.3	-60.6	-76.7	0	0	0	114.1	I889 C893 R895 A896 Q898 L1024 A1032 W1034	I889-Y1028 HydrophobicContact CD1-CD2 4.21Å; I889-Y1028 HydrophobicContact CD1-CE2 3.94Å; I889-Y1028 HydrophobicContact CG1-CD2 4.23Å; I889-Y1028 HydrophobicContact CG1-CE2 4.3Å; I889-Y1028 HydrophobicContact CG1-CG 4.39Å; I889-Y1028 HydrophobicContact CG2-CD1 4.02Å; I889-Y1028 HydrophobicContact CG2-CE1 3.53Å; I889-Y1028 HydrophobicContact CG2-CE2 4.37Å; C893-Y1028 HydrophobicContact CB-CD1 4.19Å; R895-Y1028 HydrophobicContact CB-CD1 4.49Å; R895-Y1028 HydrophobicContact CB-CE1 3.89Å; A896-Y1028 PolarHBondContact O-OH 2.56Å; Q898-Y1028 HydrophobicContact CG-CE2 4.48Å; Q898-Y1028 VanDerWaalsContact CG-OH 3.25Å; Q898-Y1028 WeakPolarHBondContact CG-OH 3.24Å; Q898-Y1028 PolarHBondContact N-OH 3.35Å; L1024-Y1028 HydrophobicContact CB-CD2 4.36Å; L1024-Y1028 HydrophobicContact CD2-CD2 3.91Å; L1024-Y1028 HydrophobicContact CD2-CE2 3.54Å; L1024-Y1028 WeakPolarHBondContact O-CB 3.28Å; L1024-Y1028 WeakPolarHBondContact O-CD2 3.2Å; L1024-Y1028 PolarHBondContact O-N 3.44Å; Y1028-A1032 WeakPolarHBondContact O-CB 3.21Å; Y1028-W1034 WeakPolarHBondContact O-CZ2 3.45Å; Y1028-W1034 PolarHBondContact O-NE1 3.34Å
1029	I	93.7	Very high	91	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.326	C	S	.	.	I	π-helix	trans	-109.9	-55.3	176.9	-53.6	-61.4	0	0	0	110	I1025 W1034 R1042 I1045 Q1046 F1049	I1025-I1029 HydrophobicContact CG2-CB 4.25Å; I1025-I1029 HydrophobicContact CG2-CG1 4.5Å; I1025-I1029 VanDerWaalsContact O-CA 3.31Å; I1025-I1029 WeakPolarHBondContact O-CA 3.42Å; I1025-I1029 WeakPolarHBondContact O-CB 3.37Å; I1025-I1029 PolarHBondContact O-N 2.95Å; I1029-W1034 HydrophobicContact CD1-CZ2 4.02Å; I1029-W1034 PolarHBondContact O-NE1 3.27Å; I1029-R1042 HydrophobicContact CD1-CG 4.4Å; I1029-R1042 HydrophobicContact CG2-CG 3.91Å; I1029-I1045 HydrophobicContact CD1-CB 4.2Å; I1029-I1045 HydrophobicContact CD1-CG2 3.87Å; I1029-Q1046 HydrophobicContact CD1-CB 4.43Å; I1029-Q1046 HydrophobicContact CG1-CB 4.32Å; I1029-Q1046 HydrophobicContact CG2-CB 4.44Å; I1029-F1049 HydrophobicContact CD1-CE2 4.2Å; I1029-F1049 HydrophobicContact CG1-CD2 4.11Å; I1029-F1049 HydrophobicContact CG1-CE2 4.09Å
1030	D	90.3	Very high	90.8	Very high	82 Å²	82	70 Å²	70	44%	0.439	35%	0.351	S	S	.	.	I	π-helix	trans	-79.8	-45.3	-171.1	-56.5	-29	0	0	0	112.3	I1025 T1026 A1032	I1025-D1030 PolarHBondContact O-N 2.94Å; T1026-D1030 WeakPolarHBondContact CA-OD2 3.42Å; D1030-A1032 VanDerWaalsContact C-N 3.34Å
1031	H	82.7	Confident	90.5	Very high	150 Å²	150	74.6 Å²	74.6	69%	0.694	37%	0.367	S	S	*	.	S	Bend	trans	-88.8	3.2	178.1	-63.7	-46.9	0	0	0	114.3	T1026	T1026-H1031 WeakPolarHBondContact CG2-NE2 3.49Å; T1026-H1031 WeakPolarHBondContact O-CB 3.35Å; T1026-H1031 PolarHBondContact O-CD2 3.19Å; T1026-H1031 PolarHBondContact O-N 3.32Å
1032	A	80.7	Confident	90.3	Very high	29 Å²	29	78.5 Å²	78.5	24%	0.24	38%	0.381	C	S	.	.	S	Bend	trans	-96.5	148.2	177.9	0	0	0	0	0	111.8	Y1028 D1030 W1034	Y1028-A1032 WeakPolarHBondContact O-CB 3.21Å; D1030-A1032 VanDerWaalsContact C-N 3.34Å; A1032-W1034 PolarHBondContact O-N 2.92Å
1033	F	80.1	Confident	90.1	Very high	170 Å²	170	75.3 Å²	75.3	75%	0.746	38%	0.377	S	S	*	.			trans	-81.8	114.5	174.6	-176.5	-94.7	0	0	0	110.6	T1035	F1033-T1035 HydrophobicContact CE1-CG2 3.81Å; F1033-T1035 HydrophobicContact CZ-CG2 4.5Å
1034	W	85.1	Confident	90.1	Very high	32 Å²	32	78.1 Å²	78.1	12%	0.121	39%	0.387	C	S	.	.			trans	-114.1	137.1	174.4	-65.3	93	0	0	0	109.7	Y1028 I1029 A1032 Q1038 R1042 I1045	Y1028-W1034 WeakPolarHBondContact O-CZ2 3.45Å; Y1028-W1034 PolarHBondContact O-NE1 3.34Å; I1029-W1034 HydrophobicContact CD1-CZ2 4.02Å; I1029-W1034 PolarHBondContact O-NE1 3.27Å; A1032-W1034 PolarHBondContact O-N 2.92Å; W1034-Q1038 HydrophobicContact CE3-CB 3.73Å; W1034-Q1038 HydrophobicContact CZ3-CB 4.29Å; W1034-R1042 HydrophobicContact CD2-CB 3.86Å; W1034-R1042 HydrophobicContact CD2-CG 3.89Å; W1034-R1042 HydrophobicContact CE3-CB 3.88Å; W1034-R1042 HydrophobicContact CE3-CG 4.42Å; W1034-R1042 HydrophobicContact CG-CB 4.25Å; W1034-R1042 HydrophobicContact CG-CG 3.98Å; W1034-R1042 HydrophobicContact CZ3-CB 4.33Å; W1034-I1045 HydrophobicContact CH2-CD1 3.53Å; W1034-I1045 HydrophobicContact CZ2-CD1 4.4Å; W1034-I1045 HydrophobicContact CZ3-CD1 4.21Å
1035	T	87.1	Confident	90.1	Very high	58 Å²	58	78.1 Å²	78.1	36%	0.356	39%	0.387	S	S	.	.			trans	-85.8	158.2	171.1	61.6	0	0	0	0	110.9	F1033 K1037 Q1038	F1033-T1035 HydrophobicContact CE1-CG2 3.81Å; F1033-T1035 HydrophobicContact CZ-CG2 4.5Å; T1035-K1037 PolarHBondContact O-N 3.25Å; T1035-Q1038 WeakPolarHBondContact O-CA 3.47Å; T1035-Q1038 WeakPolarHBondContact O-CB 3.3Å; T1035-Q1038 PolarHBondContact O-N 3.48Å; T1035-Q1038 WeakPolarHBondContact OG1-CG 3.43Å; T1035-Q1038 PolarHBondContact OG1-OE1 2.91Å
1036	D	86	Confident	90	Very high	157 Å²	157	80.6 Å²	80.6	84%	0.84	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-55.7	-35.7	177.3	-55.8	-33.5	0	0	0	112.3	Q1038 A1039	D1036-Q1038 PolarHBondContact O-N 3.24Å; D1036-Q1038 VanDerWaalsContact O-N 3.11Å; D1036-A1039 VanDerWaalsContact O-CB 3.29Å; D1036-A1039 WeakPolarHBondContact O-CB 3.22Å; D1036-A1039 PolarHBondContact O-N 3.31Å; D1036-A1039 VanDerWaalsContact O-N 3.08Å
1037	K	86.5	Confident	90.2	Very high	209 Å²	209	84.9 Å²	84.9	91%	0.909	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-63.4	-15.1	174.9	-65.1	-171.7	178.7	-172.5	0	113.9	T1035	T1035-K1037 PolarHBondContact O-N 3.25Å
1038	Q	89.1	Confident	90.5	Very high	68 Å²	68	85.7 Å²	85.7	32%	0.318	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-105.6	7	178.9	-61	167.8	-66.8	0	0	112.3	W1034 T1035 D1036 E1040 R1041 R1042	W1034-Q1038 HydrophobicContact CE3-CB 3.73Å; W1034-Q1038 HydrophobicContact CZ3-CB 4.29Å; T1035-Q1038 WeakPolarHBondContact O-CA 3.47Å; T1035-Q1038 WeakPolarHBondContact O-CB 3.3Å; T1035-Q1038 PolarHBondContact O-N 3.48Å; T1035-Q1038 WeakPolarHBondContact OG1-CG 3.43Å; T1035-Q1038 PolarHBondContact OG1-OE1 2.91Å; D1036-Q1038 PolarHBondContact O-N 3.24Å; D1036-Q1038 VanDerWaalsContact O-N 3.11Å; Q1038-E1040 PolarHBondContact O-N 2.77Å; Q1038-R1041 PolarHBondContact O-N 3.28Å; Q1038-R1042 WeakPolarHBondContact O-CB 3.46Å; Q1038-R1042 PolarHBondContact O-N 2.97Å
1039	A	89.9	Confident	90.7	Very high	56 Å²	56	85.7 Å²	85.7	46%	0.463	41%	0.414	S	S	.	.	H	α-helix	trans	-57.6	-48.6	-176.4	0	0	0	0	0	113	D1036 R1041 R1042 A1043	D1036-A1039 VanDerWaalsContact O-CB 3.29Å; D1036-A1039 WeakPolarHBondContact O-CB 3.22Å; D1036-A1039 PolarHBondContact O-N 3.31Å; D1036-A1039 VanDerWaalsContact O-N 3.08Å; A1039-R1041 VanDerWaalsContact C-N 3.32Å; A1039-R1041 PolarHBondContact O-N 3.03Å; A1039-R1042 WeakPolarHBondContact O-CB 3.16Å; A1039-R1042 PolarHBondContact O-N 2.92Å; A1039-A1043 PolarHBondContact O-N 2.85Å
1040	E	92.9	Very high	90.8	Very high	175 Å²	175	88.7 Å²	88.7	82%	0.818	44%	0.435	S	S	*	.	H	α-helix	trans	-61.3	-41.8	176.3	-66.7	179.5	179.1	0	0	111.9	Q1038 A1043 Y1044	Q1038-E1040 PolarHBondContact O-N 2.77Å; E1040-A1043 PolarHBondContact O-N 2.99Å; E1040-Y1044 WeakPolarHBondContact O-CB 3.35Å; E1040-Y1044 PolarHBondContact O-N 2.95Å
1041	R	92.9	Very high	91.1	Very high	103 Å²	103	89.6 Å²	89.6	39%	0.389	44%	0.44	S	S	.	.	H	α-helix	trans	-67.1	-39.7	178.7	-170.8	61.4	173.6	171.6	5.6	111.6	D892 Q1038 A1039 Y1044 I1045	D892-R1041 IonicContact OD1-CZ 3.84Å; D892-R1041 VanDerWaalsContact OD1-CZ 3.28Å; D892-R1041 IonicContact OD1-NE 2.63Å; D892-R1041 PolarHBondContact OD1-NE 3.37Å; D892-R1041 IonicContact OD1-NH2 3.67Å; D892-R1041 PolarHBondContact OD1-NH2 3.11Å; D892-R1041 IonicContact OD2-NH2 2.68Å; D892-R1041 PolarHBondContact OD2-NH2 2.78Å; D892-R1041 VanDerWaalsContact OD2-NH2 3.14Å; Q1038-R1041 PolarHBondContact O-N 3.28Å; A1039-R1041 VanDerWaalsContact C-N 3.32Å; A1039-R1041 PolarHBondContact O-N 3.03Å; R1041-Y1044 PolarHBondContact O-N 2.82Å; R1041-I1045 HydrophobicContact CG-CD1 4.11Å; R1041-I1045 VanDerWaalsContact O-CG1 3.26Å; R1041-I1045 WeakPolarHBondContact O-CG1 3.47Å; R1041-I1045 PolarHBondContact O-N 3.39Å
1042	R	93.4	Very high	91.8	Very high	90 Å²	90	84.6 Å²	84.6	34%	0.34	42%	0.418	S	S	.	.	H	α-helix	trans	-59.8	-48.9	173.7	180	-172.3	174.2	-174.8	-1.1	110.3	I1029 W1034 Q1038 A1039 Y1044 I1045 Q1046	I1029-R1042 HydrophobicContact CD1-CG 4.4Å; I1029-R1042 HydrophobicContact CG2-CG 3.91Å; W1034-R1042 HydrophobicContact CD2-CB 3.86Å; W1034-R1042 HydrophobicContact CD2-CG 3.89Å; W1034-R1042 HydrophobicContact CE3-CB 3.88Å; W1034-R1042 HydrophobicContact CE3-CG 4.42Å; W1034-R1042 HydrophobicContact CG-CB 4.25Å; W1034-R1042 HydrophobicContact CG-CG 3.98Å; W1034-R1042 HydrophobicContact CZ3-CB 4.33Å; Q1038-R1042 WeakPolarHBondContact O-CB 3.46Å; Q1038-R1042 PolarHBondContact O-N 2.97Å; A1039-R1042 WeakPolarHBondContact O-CB 3.16Å; A1039-R1042 PolarHBondContact O-N 2.92Å; R1042-Y1044 PolarHBondContact O-N 2.74Å; R1042-I1045 PolarHBondContact O-N 2.98Å; R1042-Q1046 WeakPolarHBondContact O-CB 3.38Å; R1042-Q1046 PolarHBondContact O-N 3.29Å
1043	A	94.3	Very high	92.5	Very high	55 Å²	55	84.3 Å²	84.3	46%	0.455	41%	0.414	S	S	.	.	H	α-helix	trans	-62	-41.2	177.9	0	0	0	0	0	112.2	A1039 E1040 Q1046 K1047	A1039-A1043 PolarHBondContact O-N 2.85Å; E1040-A1043 PolarHBondContact O-N 2.99Å; A1043-Q1046 PolarHBondContact O-N 3.32Å; A1043-K1047 WeakPolarHBondContact O-CB 3.49Å; A1043-K1047 PolarHBondContact O-N 3.11Å
1044	Y	96.2	Very high	93.2	Very high	106 Å²	106	85.6 Å²	85.6	42%	0.416	42%	0.419	S	S	.	.	H	α-helix	trans	-59.1	-49.7	173.2	173.4	-92.7	0	0	0	111.8	L888 E1040 R1041 R1042 Q1046 K1047 Q1048	L888-Y1044 HydrophobicContact CD2-CE1 4.06Å; E1040-Y1044 WeakPolarHBondContact O-CB 3.35Å; E1040-Y1044 PolarHBondContact O-N 2.95Å; R1041-Y1044 PolarHBondContact O-N 2.82Å; R1042-Y1044 PolarHBondContact O-N 2.74Å; Y1044-Q1046 PolarHBondContact O-N 3.15Å; Y1044-K1047 WeakPolarHBondContact O-CB 3.47Å; Y1044-K1047 PolarHBondContact O-N 3.43Å; Y1044-Q1048 HydrophobicContact CD1-CG 4.21Å; Y1044-Q1048 HydrophobicContact CE1-CG 3.72Å; Y1044-Q1048 HydrophobicContact CE2-CG 4.21Å; Y1044-Q1048 WeakPolarHBondContact O-CG 3.48Å; Y1044-Q1048 PolarHBondContact O-N 2.67Å
1045	I	95.3	Very high	93.6	Very high	0 Å²	0	88.1 Å²	88.1	0%	0	43%	0.431	C	S	.	.	H	α-helix	trans	-63.4	-43	-179.1	-65.5	164.6	0	0	0	110.7	L888 D892 I1029 W1034 R1041 R1042 K1047 Q1048 F1049	L888-I1045 HydrophobicContact CB-CG1 4.43Å; L888-I1045 HydrophobicContact CB-CG2 4.33Å; L888-I1045 HydrophobicContact CD1-CG1 4.45Å; L888-I1045 HydrophobicContact CD1-CG2 4.42Å; L888-I1045 HydrophobicContact CD2-CG1 4.29Å; D892-I1045 HydrophobicContact CB-CD1 3.69Å; I1029-I1045 HydrophobicContact CD1-CB 4.2Å; I1029-I1045 HydrophobicContact CD1-CG2 3.87Å; W1034-I1045 HydrophobicContact CH2-CD1 3.53Å; W1034-I1045 HydrophobicContact CZ2-CD1 4.4Å; W1034-I1045 HydrophobicContact CZ3-CD1 4.21Å; R1041-I1045 HydrophobicContact CG-CD1 4.11Å; R1041-I1045 VanDerWaalsContact O-CG1 3.26Å; R1041-I1045 WeakPolarHBondContact O-CG1 3.47Å; R1041-I1045 PolarHBondContact O-N 3.39Å; R1042-I1045 PolarHBondContact O-N 2.98Å; I1045-K1047 VanDerWaalsContact C-N 3.33Å; I1045-K1047 PolarHBondContact O-N 3.17Å; I1045-Q1048 PolarHBondContact O-N 3.03Å; I1045-F1049 HydrophobicContact CG2-CD1 4.18Å; I1045-F1049 HydrophobicContact CG2-CD2 4.29Å; I1045-F1049 HydrophobicContact CG2-CE1 3.67Å; I1045-F1049 HydrophobicContact CG2-CE2 3.76Å; I1045-F1049 HydrophobicContact CG2-CG 4.49Å; I1045-F1049 HydrophobicContact CG2-CZ 3.43Å; I1045-F1049 VanDerWaalsContact CG2-CZ 3.43Å; I1045-F1049 WeakPolarHBondContact O-CG 3.43Å; I1045-F1049 PolarHBondContact O-N 2.71Å
1046	Q	96.2	Very high	94	Very high	77 Å²	77	87.2 Å²	87.2	36%	0.36	43%	0.434	S	S	.	.	H	α-helix	trans	-58	-45.6	175.4	-176.8	176.7	-6	0	0	111.4	I1029 R1042 A1043 Y1044 Q1048 F1049 S1050	I1029-Q1046 HydrophobicContact CD1-CB 4.43Å; I1029-Q1046 HydrophobicContact CG1-CB 4.32Å; I1029-Q1046 HydrophobicContact CG2-CB 4.44Å; R1042-Q1046 WeakPolarHBondContact O-CB 3.38Å; R1042-Q1046 PolarHBondContact O-N 3.29Å; A1043-Q1046 PolarHBondContact O-N 3.32Å; Y1044-Q1046 PolarHBondContact O-N 3.15Å; Q1046-Q1048 VanDerWaalsContact C-N 3.33Å; Q1046-Q1048 PolarHBondContact O-N 3.47Å; Q1046-F1049 PolarHBondContact O-N 3.3Å; Q1046-S1050 PolarHBondContact O-N 3.41Å; Q1046-S1050 VanDerWaalsContact O-N 3.09Å; Q1046-S1050 PolarHBondContact O-OG 3.22Å
1047	K	97.1	Very high	94.5	Very high	149 Å²	149	86.7 Å²	86.7	65%	0.648	43%	0.431	S	S	*	.	H	α-helix	trans	-58.9	-42.9	175.3	-177	179	177.9	179.3	0	112.1	A1043 Y1044 I1045 S1050 D1051	A1043-K1047 WeakPolarHBondContact O-CB 3.49Å; A1043-K1047 PolarHBondContact O-N 3.11Å; Y1044-K1047 WeakPolarHBondContact O-CB 3.47Å; Y1044-K1047 PolarHBondContact O-N 3.43Å; I1045-K1047 VanDerWaalsContact C-N 3.33Å; I1045-K1047 PolarHBondContact O-N 3.17Å; K1047-S1050 PolarHBondContact O-N 3.49Å; K1047-D1051 PolarHBondContact O-N 2.81Å; K1047-D1051 VanDerWaalsContact O-N 3.09Å
1048	Q	97.3	Very high	94.9	Very high	33 Å²	33	77.4 Å²	77.4	15%	0.154	39%	0.39	C	S	.	.	H	α-helix	trans	-65.1	-37.7	177.5	-64.6	-64.9	-74.5	0	0	112.3	W881 L888 Y1044 I1045 Q1046 S1050 D1051	W881-Q1048 PolarHBondContact NE1-O 2.97Å; L888-Q1048 HydrophobicContact CD1-CB 3.7Å; L888-Q1048 HydrophobicContact CD1-CG 3.95Å; Y1044-Q1048 HydrophobicContact CD1-CG 4.21Å; Y1044-Q1048 HydrophobicContact CE1-CG 3.72Å; Y1044-Q1048 HydrophobicContact CE2-CG 4.21Å; Y1044-Q1048 WeakPolarHBondContact O-CG 3.48Å; Y1044-Q1048 PolarHBondContact O-N 2.67Å; I1045-Q1048 PolarHBondContact O-N 3.03Å; Q1046-Q1048 VanDerWaalsContact C-N 3.33Å; Q1046-Q1048 PolarHBondContact O-N 3.47Å; Q1048-S1050 VanDerWaalsContact C-N 3.25Å; Q1048-S1050 PolarHBondContact O-N 3.03Å; Q1048-D1051 PolarHBondContact O-N 3.44Å
1049	F	97.4	Very high	95.3	Very high	0 Å²	0	78.2 Å²	78.2	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-64.4	-31.4	174.3	-68.9	-4.5	0	0	0	112.2	L885 I889 S1021 L1024 I1025 I1029 I1045 Q1046	L885-F1049 HydrophobicContact CB-CE1 4.3Å; L885-F1049 HydrophobicContact CD1-CD1 4.11Å; L885-F1049 HydrophobicContact CD2-CD1 3.73Å; L885-F1049 HydrophobicContact CD2-CE1 4.22Å; L885-F1049 HydrophobicContact CG-CD1 4.31Å; I889-F1049 HydrophobicContact CD1-CZ 4.28Å; I889-F1049 HydrophobicContact CG1-CE1 4.21Å; I889-F1049 HydrophobicContact CG1-CZ 3.75Å; S1021-F1049 WeakPolarHBondContact CB-O 3.42Å; S1021-F1049 PolarHBondContact OG-O 3.39Å; L1024-F1049 HydrophobicContact CB-CD2 3.85Å; L1024-F1049 HydrophobicContact CB-CE2 4.03Å; L1024-F1049 HydrophobicContact CB-CG 4.26Å; I1025-F1049 HydrophobicContact CD1-CB 4.37Å; I1025-F1049 HydrophobicContact CG1-CB 3.85Å; I1025-F1049 HydrophobicContact CG1-CD2 4.04Å; I1025-F1049 HydrophobicContact CG1-CG 4.49Å; I1029-F1049 HydrophobicContact CD1-CE2 4.2Å; I1029-F1049 HydrophobicContact CG1-CD2 4.11Å; I1029-F1049 HydrophobicContact CG1-CE2 4.09Å; I1045-F1049 HydrophobicContact CG2-CD1 4.18Å; I1045-F1049 HydrophobicContact CG2-CD2 4.29Å; I1045-F1049 HydrophobicContact CG2-CE1 3.67Å; I1045-F1049 HydrophobicContact CG2-CE2 3.76Å; I1045-F1049 HydrophobicContact CG2-CG 4.49Å; I1045-F1049 HydrophobicContact CG2-CZ 3.43Å; I1045-F1049 VanDerWaalsContact CG2-CZ 3.43Å; I1045-F1049 WeakPolarHBondContact O-CG 3.43Å; I1045-F1049 PolarHBondContact O-N 2.71Å; Q1046-F1049 PolarHBondContact O-N 3.3Å
1050	S	97.2	Very high	95.7	Very high	63 Å²	63	76 Å²	76	44%	0.441	38%	0.377	S	S	.	.	H	α-helix	trans	-86.7	-9.5	178.2	-57.4	0	0	0	0	114.8	I1025 Q1046 K1047 Q1048 L1052	I1025-S1050 WeakPolarHBondContact CD1-OG 3.48Å; Q1046-S1050 PolarHBondContact O-N 3.41Å; Q1046-S1050 VanDerWaalsContact O-N 3.09Å; Q1046-S1050 PolarHBondContact O-OG 3.22Å; K1047-S1050 PolarHBondContact O-N 3.49Å; Q1048-S1050 VanDerWaalsContact C-N 3.25Å; Q1048-S1050 PolarHBondContact O-N 3.03Å; S1050-L1052 VanDerWaalsContact C-N 3.33Å; S1050-L1052 VanDerWaalsContact O-CD1 3.25Å; S1050-L1052 WeakPolarHBondContact O-CD1 3.27Å; S1050-L1052 PolarHBondContact O-N 2.89Å
1051	D	96.8	Very high	95.9	Very high	101 Å²	101	70.6 Å²	70.6	54%	0.54	36%	0.356	S	S	.	.			trans	-84.7	71.5	-177.8	-167.3	22.7	0	0	0	111.4	W881 K1047 Q1048	W881-D1051 PolarHBondContact NE1-O 3.48Å; K1047-D1051 PolarHBondContact O-N 2.81Å; K1047-D1051 VanDerWaalsContact O-N 3.09Å; Q1048-D1051 PolarHBondContact O-N 3.44Å
1052	L	96.7	Very high	96.1	Very high	45 Å²	45	68.6 Å²	68.6	24%	0.236	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-67.4	144.4	-175.7	-81.9	73.5	0	0	0	112.3	W881 L1017 E1018 S1050 K1054	W881-L1052 HydrophobicContact CH2-CG 4.35Å; W881-L1052 HydrophobicContact CZ2-CD1 4.31Å; W881-L1052 HydrophobicContact CZ2-CG 4.17Å; L1017-L1052 HydrophobicContact CB-CD2 4Å; E1018-L1052 HydrophobicContact CB-CD2 4.24Å; E1018-L1052 HydrophobicContact CG-CD2 3.61Å; S1050-L1052 VanDerWaalsContact C-N 3.33Å; S1050-L1052 VanDerWaalsContact O-CD1 3.25Å; S1050-L1052 WeakPolarHBondContact O-CD1 3.27Å; S1050-L1052 PolarHBondContact O-N 2.89Å; L1052-K1054 PolarHBondContact O-N 3.3Å
1053	P	96	Very high	96.3	Very high	24 Å²	24	64.3 Å²	64.3	16%	0.156	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-56.7	137.5	169.1	-23	32.7	0	0	0	112.1	A877 I878 W881 K1055	A877-P1053 HydrophobicContact CB-CB 4.34Å; I878-P1053 HydrophobicContact CB-CG 4.5Å; I878-P1053 HydrophobicContact CG1-CB 4Å; I878-P1053 HydrophobicContact CG1-CG 3.99Å; W881-P1053 HydrophobicContact CB-CG 3.75Å; W881-P1053 HydrophobicContact CD2-CG 4.08Å; W881-P1053 HydrophobicContact CE3-CG 4.17Å; W881-P1053 HydrophobicContact CG-CG 3.94Å; P1053-K1055 PolarHBondContact O-N 3.07Å
1054	K	93.9	Very high	96.5	Very high	196 Å²	196	65.5 Å²	65.5	85%	0.852	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-63.1	129.5	176	-67.4	-174.4	179.2	-177	0	110.7	L1052	L1052-K1054 PolarHBondContact O-N 3.3Å
1055	K	94.1	Very high	96.5	Very high	86 Å²	86	68.9 Å²	68.9	37%	0.374	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-79.7	144.9	172.1	-68.6	175.2	176.7	167.3	0	110	G763 R764 E1018 P1053	G763-K1055 CarbonylContact O-C 3.58Å; G763-K1055 WeakPolarHBondContact O-CA 3.44Å; R764-K1055 HydrophobicContact CB-CB 4.28Å; R764-K1055 HydrophobicContact CG-CB 4.14Å; R764-K1055 HydrophobicContact CG-CD 4.38Å; R764-K1055 HydrophobicContact CG-CG 4.44Å; E1018-K1055 WeakPolarHBondContact OE1-CE 3.41Å; E1018-K1055 IonicContact OE1-NZ 3.9Å; E1018-K1055 PolarHBondContact OE1-NZ 3.17Å; E1018-K1055 IonicContact OE2-NZ 3.79Å; E1018-K1055 PolarHBondContact OE2-NZ 3.27Å; P1053-K1055 PolarHBondContact O-N 3.07Å
1056	G	95	Very high	96.5	Very high	39 Å²	39	68.9 Å²	68.9	40%	0.402	35%	0.346	S	S	.	.			trans	-79	-156.3	167	0	0	0	0	0	112.1	G763 R764	G763-G1056 PolarHBondContact O-N 2.8Å; R764-G1056 WeakPolarHBondContact CB-O 3.41Å; R764-G1056 CarbonylContact O-C 3.59Å; R764-G1056 WeakPolarHBondContact O-CA 3.48Å
1057	N	95.4	Very high	96.4	Very high	145 Å²	145	68.5 Å²	68.5	78%	0.775	35%	0.349	S	S	*	.			trans	-117.9	11.4	-170.8	66	-18.5	0	0	0	114.4	R764 D1059	R764-N1057 PolarHBondContact O-N 3.49Å; R764-N1057 VanDerWaalsContact O-N 3.08Å; N1057-D1059 PolarHBondContact O-N 2.95Å
1058	F	96.9	Very high	96.3	Very high	14 Å²	14	61.9 Å²	61.9	6%	0.061	32%	0.32	C	S	.	.			trans	-60.7	126.8	175.4	-179.8	-117	0	0	0	111	R764 A766 A769 L774 I1060 E1062 V1063	R764-F1058 HydrophobicContact CB-CB 4.22Å; R764-F1058 WeakPolarHBondContact CD-O 3.16Å; R764-F1058 VanDerWaalsContact O-CB 3.32Å; R764-F1058 WeakPolarHBondContact O-CB 3.49Å; R764-F1058 PolarHBondContact O-N 3.37Å; A766-F1058 HydrophobicContact CB-CB 4.12Å; A766-F1058 HydrophobicContact CB-CD2 4.38Å; A769-F1058 HydrophobicContact CB-CD1 4.01Å; A769-F1058 HydrophobicContact CB-CD2 3.69Å; A769-F1058 HydrophobicContact CB-CE1 3.95Å; A769-F1058 HydrophobicContact CB-CE2 3.64Å; A769-F1058 HydrophobicContact CB-CG 3.9Å; A769-F1058 HydrophobicContact CB-CZ 3.77Å; L774-F1058 HydrophobicContact CB-CE1 4.21Å; L774-F1058 HydrophobicContact CB-CZ 3.82Å; L774-F1058 HydrophobicContact CD1-CE1 4.21Å; F1058-I1060 HydrophobicContact CE1-CD1 4.15Å; F1058-I1060 PolarHBondContact O-N 3.15Å; F1058-E1062 HydrophobicContact CE2-CB 4.13Å; F1058-E1062 HydrophobicContact CZ-CB 4.22Å; F1058-V1063 HydrophobicContact CE1-CG2 4.22Å; F1058-V1063 HydrophobicContact CZ-CG2 4.15Å
1059	D	97.4	Very high	96	Very high	85 Å²	85	60.3 Å²	60.3	46%	0.455	31%	0.312	S	S	.	.			trans	-79.7	117.5	169.6	-176.3	-7.2	0	0	0	109.5	N1057 T1061 E1062	N1057-D1059 PolarHBondContact O-N 2.95Å; D1059-T1061 PolarHBondContact O-N 3.4Å; D1059-T1061 WeakPolarHBondContact OD1-CB 3.42Å; D1059-T1061 WeakPolarHBondContact OD1-CG2 3.47Å; D1059-T1061 PolarHBondContact OD1-N 3.28Å; D1059-T1061 PolarHBondContact OD1-OG1 3.05Å; D1059-T1061 PolarHBondContact OD2-OG1 3.36Å; D1059-E1062 HydrophobicContact CB-CG 4.31Å; D1059-E1062 WeakPolarHBondContact O-CB 3.29Å; D1059-E1062 PolarHBondContact O-N 3.32Å
1060	I	97.5	Very high	95.8	Very high	9 Å²	9	60.5 Å²	60.5	5%	0.046	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-64.3	-24.4	-178.5	-166.4	58.6	0	0	0	112.7	A761 F1008 V1009 H1012 F1058 E1062 V1063	A761-I1060 HydrophobicContact CB-CD1 3.8Å; F1008-I1060 HydrophobicContact CD1-CD1 4.39Å; F1008-I1060 HydrophobicContact CE1-CD1 4.08Å; V1009-I1060 HydrophobicContact CG1-CG2 4.37Å; V1009-I1060 WeakPolarHBondContact CG2-O 3.15Å; H1012-I1060 HydrophobicContact CB-CD1 3.76Å; H1012-I1060 HydrophobicContact CB-CG1 3.87Å; F1058-I1060 HydrophobicContact CE1-CD1 4.15Å; F1058-I1060 PolarHBondContact O-N 3.15Å; I1060-E1062 PolarHBondContact O-N 3.03Å; I1060-V1063 HydrophobicContact CD1-CG2 4.17Å; I1060-V1063 WeakPolarHBondContact O-CB 3.43Å; I1060-V1063 WeakPolarHBondContact O-CG2 3.48Å; I1060-V1063 PolarHBondContact O-N 3.27Å
1061	T	97.7	Very high	95.2	Very high	63 Å²	63	59 Å²	59	39%	0.387	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-70.2	-18.8	-178.1	69.1	0	0	0	0	113.1	D1059 V1063 L1064	D1059-T1061 PolarHBondContact O-N 3.4Å; D1059-T1061 WeakPolarHBondContact OD1-CB 3.42Å; D1059-T1061 WeakPolarHBondContact OD1-CG2 3.47Å; D1059-T1061 PolarHBondContact OD1-N 3.28Å; D1059-T1061 PolarHBondContact OD1-OG1 3.05Å; D1059-T1061 PolarHBondContact OD2-OG1 3.36Å; T1061-V1063 PolarHBondContact O-N 2.94Å; T1061-V1063 VanDerWaalsContact O-N 3.13Å; T1061-L1064 VanDerWaalsContact O-CB 3.3Å; T1061-L1064 WeakPolarHBondContact O-CB 3.38Å; T1061-L1064 WeakPolarHBondContact O-CG 3.49Å; T1061-L1064 PolarHBondContact O-N 3.37Å
1062	E	96.9	Very high	95.1	Very high	60 Å²	60	57 Å²	57	28%	0.28	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-58.7	-25.8	174.2	-74.8	-64.5	121.2	0	0	112.7	F1058 D1059 I1060 L1064 R1065	F1058-E1062 HydrophobicContact CE2-CB 4.13Å; F1058-E1062 HydrophobicContact CZ-CB 4.22Å; D1059-E1062 HydrophobicContact CB-CG 4.31Å; D1059-E1062 WeakPolarHBondContact O-CB 3.29Å; D1059-E1062 PolarHBondContact O-N 3.32Å; I1060-E1062 PolarHBondContact O-N 3.03Å; E1062-L1064 PolarHBondContact O-N 3.17Å; E1062-R1065 PolarHBondContact O-N 3.37Å; E1062-R1065 VanDerWaalsContact O-N 3.08Å; E1062-R1065 IonicContact OE1-NH1 3.71Å; E1062-R1065 PolarHBondContact OE1-NH1 3.31Å
1063	V	97.3	Very high	95	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-58.4	-31.9	175.3	-179.9	0	0	0	0	111.7	L774 R1005 F1008 V1009 F1058 I1060 T1061 R1065 S1066 F1069	L774-V1063 HydrophobicContact CB-CG2 3.98Å; L774-V1063 HydrophobicContact CD2-CG1 4.4Å; L774-V1063 HydrophobicContact CD2-CG2 3.87Å; L774-V1063 HydrophobicContact CG-CG2 4.38Å; L774-V1063 VanDerWaalsContact O-CA 3.31Å; L774-V1063 WeakPolarHBondContact O-CA 3.5Å; L774-V1063 PolarHBondContact O-N 3.3Å; R1005-V1063 WeakPolarHBondContact CD-O 3.37Å; R1005-V1063 HydrophobicContact CG-CG1 4.35Å; R1005-V1063 WeakPolarHBondContact CG-O 3.48Å; F1008-V1063 HydrophobicContact CD1-CG1 3.98Å; F1008-V1063 HydrophobicContact CD1-CG2 4.22Å; F1008-V1063 HydrophobicContact CE1-CG2 4.29Å; V1009-V1063 HydrophobicContact CG2-CB 3.77Å; V1009-V1063 HydrophobicContact CG2-CG1 4.26Å; F1058-V1063 HydrophobicContact CE1-CG2 4.22Å; F1058-V1063 HydrophobicContact CZ-CG2 4.15Å; I1060-V1063 HydrophobicContact CD1-CG2 4.17Å; I1060-V1063 WeakPolarHBondContact O-CB 3.43Å; I1060-V1063 WeakPolarHBondContact O-CG2 3.48Å; I1060-V1063 PolarHBondContact O-N 3.27Å; T1061-V1063 PolarHBondContact O-N 2.94Å; T1061-V1063 VanDerWaalsContact O-N 3.13Å; V1063-R1065 PolarHBondContact O-N 3.24Å; V1063-R1065 VanDerWaalsContact O-N 3.13Å; V1063-S1066 WeakPolarHBondContact O-CB 3.41Å; V1063-S1066 PolarHBondContact O-N 3.01Å; V1063-F1069 HydrophobicContact CG1-CD1 3.95Å; V1063-F1069 HydrophobicContact CG1-CE1 4.11Å; V1063-F1069 HydrophobicContact CG1-CG 4.17Å
1064	L	97.8	Very high	95	Very high	81 Å²	81	59.4 Å²	59.4	42%	0.424	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-59	-26.4	178.9	-62.8	177.7	0	0	0	113	R1005 E1006 V1009 T1061 E1062	R1005-L1064 HydrophobicContact CB-CD2 4.27Å; R1005-L1064 WeakPolarHBondContact CD-O 3.33Å; R1005-L1064 PolarHBondContact NE-O 3.18Å; E1006-L1064 HydrophobicContact CG-CD2 4.26Å; V1009-L1064 HydrophobicContact CB-CD2 4.27Å; V1009-L1064 HydrophobicContact CG2-CD2 3.86Å; V1009-L1064 HydrophobicContact CG2-CG 4.02Å; T1061-L1064 VanDerWaalsContact O-CB 3.3Å; T1061-L1064 WeakPolarHBondContact O-CB 3.38Å; T1061-L1064 WeakPolarHBondContact O-CG 3.49Å; T1061-L1064 PolarHBondContact O-N 3.37Å; E1062-L1064 PolarHBondContact O-N 3.17Å
1065	R	96.5	Very high	95.1	Very high	176 Å²	176	51.4 Å²	51.4	66%	0.664	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-98.7	-1.2	179.7	-61.4	176.3	179.7	159.1	-3	113.1	A776 E1062 V1063 T1067	A776-R1065 HydrophobicContact CB-CB 4.06Å; A776-R1065 WeakPolarHBondContact CB-O 3.33Å; E1062-R1065 PolarHBondContact O-N 3.37Å; E1062-R1065 VanDerWaalsContact O-N 3.08Å; E1062-R1065 IonicContact OE1-NH1 3.71Å; E1062-R1065 PolarHBondContact OE1-NH1 3.31Å; V1063-R1065 PolarHBondContact O-N 3.24Å; V1063-R1065 VanDerWaalsContact O-N 3.13Å; R1065-T1067 PolarHBondContact O-N 3.45Å
1066	S	95.7	Very high	95.1	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.007	26%	0.259	C	S	.	.			trans	-83	101.3	-177	-169.2	0	0	0	0	112.3	N773 C775 R1005 V1063 Y1068	N773-S1066 PolarHBondContact O-OG 2.97Å; C775-S1066 WeakPolarHBondContact O-CB 3.23Å; C775-S1066 PolarHBondContact O-OG 2.83Å; R1005-S1066 PolarHBondContact NH1-O 3.24Å; V1063-S1066 WeakPolarHBondContact O-CB 3.41Å; V1063-S1066 PolarHBondContact O-N 3.01Å; S1066-Y1068 VanDerWaalsContact C-N 3.25Å; S1066-Y1068 PolarHBondContact O-N 3.05Å
1067	T	93.7	Very high	95.1	Very high	68 Å²	68	49.9 Å²	49.9	42%	0.417	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-34.4	176.3	-55.4	0	0	0	0	112.7	L684 R1065	L684-T1067 HydrophobicContact CD1-CG2 3.78Å; R1065-T1067 PolarHBondContact O-N 3.45Å
1068	Y	94.1	Very high	95.1	Very high	11 Å²	11	43.1 Å²	43.1	4%	0.043	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	8.8	-171.7	-62.5	-67.7	0	0	0	114.8	S683 L684 S752 N773 S777 D778 P780 S1066 F1070 N1071	S683-Y1068 WeakPolarHBondContact CA-OH 3.38Å; L684-Y1068 HydrophobicContact CD2-CE1 4.11Å; L684-Y1068 HydrophobicContact CG-CE1 3.86Å; L684-Y1068 PolarHBondContact N-OH 3.16Å; S752-Y1068 PolarHBondContact OG-O 3Å; N773-Y1068 WeakPolarHBondContact CB-O 3.45Å; S777-Y1068 WeakPolarHBondContact O-CD2 3.36Å; S777-Y1068 VanDerWaalsContact O-CE2 3.3Å; S777-Y1068 WeakPolarHBondContact O-CE2 3.47Å; D778-Y1068 PolarHBondContact O-OH 3.01Å; P780-Y1068 HydrophobicContact CB-CD1 3.75Å; P780-Y1068 HydrophobicContact CB-CD2 4.28Å; P780-Y1068 HydrophobicContact CB-CE1 4.34Å; P780-Y1068 HydrophobicContact CB-CG 3.73Å; P780-Y1068 HydrophobicContact CG-CD1 4.16Å; P780-Y1068 HydrophobicContact CG-CE1 4.27Å; P780-Y1068 HydrophobicContact CG-CG 4.48Å; S1066-Y1068 VanDerWaalsContact C-N 3.25Å; S1066-Y1068 PolarHBondContact O-N 3.05Å; Y1068-F1070 VanDerWaalsContact C-N 3.3Å; Y1068-F1070 PolarHBondContact O-N 3.48Å; Y1068-N1071 HydrophobicContact CD1-CB 4.03Å; Y1068-N1071 PolarHBondContact O-ND2 2.94Å
1069	F	92.8	Very high	95	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-50.7	-51.1	179	173.5	-138	0	0	0	112	Q757 N773 L774 L1004 R1005 F1008 V1063	Q757-F1069 HydrophobicContact CB-CE2 4.42Å; Q757-F1069 HydrophobicContact CG-CE2 4.27Å; Q757-F1069 VanDerWaalsContact NE2-CD2 3.32Å; Q757-F1069 PolarHBondContact NE2-O 3.19Å; N773-F1069 WeakPolarHBondContact O-CA 3.21Å; L774-F1069 HydrophobicContact CD2-CD2 3.57Å; L774-F1069 HydrophobicContact CD2-CE2 3.47Å; L774-F1069 VanDerWaalsContact CD2-CE2 3.47Å; L774-F1069 HydrophobicContact CD2-CZ 4.4Å; L1004-F1069 HydrophobicContact CD2-CD1 3.23Å; L1004-F1069 HydrophobicContact CD2-CE1 3.13Å; L1004-F1069 HydrophobicContact CD2-CG 4.38Å; L1004-F1069 HydrophobicContact CD2-CZ 4.19Å; L1004-F1069 HydrophobicContact CG-CE1 4.47Å; R1005-F1069 HydrophobicContact CG-CD1 3.84Å; F1008-F1069 HydrophobicContact CB-CE1 3.79Å; F1008-F1069 HydrophobicContact CB-CZ 3.88Å; F1008-F1069 HydrophobicContact CD1-CE1 4.45Å; F1008-F1069 AromaticContact CD1-CZ 3.97Å; F1008-F1069 HydrophobicContact CD1-CZ 3.97Å; F1008-F1069 HydrophobicContact CD2-CE1 4.21Å; F1008-F1069 HydrophobicContact CD2-CE2 4.27Å; F1008-F1069 AromaticContact CD2-CZ 3.43Å; F1008-F1069 HydrophobicContact CD2-CZ 3.43Å; F1008-F1069 VanDerWaalsContact CD2-CZ 3.43Å; F1008-F1069 HydrophobicContact CE1-CE2 4.5Å; F1008-F1069 HydrophobicContact CE1-CZ 4.32Å; F1008-F1069 HydrophobicContact CE2-CE2 4.21Å; F1008-F1069 AromaticContact CE2-CZ 3.81Å; F1008-F1069 HydrophobicContact CE2-CZ 3.81Å; F1008-F1069 AromaticContact CG-CE1 3.91Å; F1008-F1069 HydrophobicContact CG-CE1 3.91Å; F1008-F1069 HydrophobicContact CG-CE2 4.39Å; F1008-F1069 AromaticContact CG-CZ 3.48Å; F1008-F1069 HydrophobicContact CG-CZ 3.48Å; F1008-F1069 VanDerWaalsContact CG-CZ 3.48Å; F1008-F1069 HydrophobicContact CZ-CE2 4.33Å; F1008-F1069 HydrophobicContact CZ-CZ 4.24Å; V1063-F1069 HydrophobicContact CG1-CD1 3.95Å; V1063-F1069 HydrophobicContact CG1-CE1 4.11Å; V1063-F1069 HydrophobicContact CG1-CG 4.17Å
1070	F	92.2	Very high	94.8	Very high	3 Å²	3	42.1 Å²	42.1	1%	0.013	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-124.5	129.5	164.9	-82.4	-123.5	0	0	0	106.8	Q749 D750 D988 F990 L1004 Y1068	Q749-F1070 HydrophobicContact CB-CB 4.15Å; Q749-F1070 WeakPolarHBondContact O-CD1 3.44Å; D750-F1070 VanDerWaalsContact O-CA 3.28Å; D750-F1070 WeakPolarHBondContact O-CA 3.41Å; D988-F1070 VanDerWaalsContact O-CE1 3.32Å; D988-F1070 WeakPolarHBondContact O-CE1 3.21Å; F990-F1070 HydrophobicContact CD2-CE1 4.18Å; F990-F1070 HydrophobicContact CE1-CE1 4.36Å; F990-F1070 AromaticContact CE2-CE1 3.99Å; F990-F1070 HydrophobicContact CE2-CE1 3.99Å; F990-F1070 HydrophobicContact CE2-CZ 4.29Å; F990-F1070 HydrophobicContact CG-CE1 4.39Å; F990-F1070 HydrophobicContact CZ-CE1 4.06Å; F990-F1070 HydrophobicContact CZ-CZ 4.26Å; L1004-F1070 HydrophobicContact CD1-CB 3.86Å; L1004-F1070 HydrophobicContact CD1-CD1 3.53Å; L1004-F1070 HydrophobicContact CD1-CD2 4.06Å; L1004-F1070 HydrophobicContact CD1-CE1 4.01Å; L1004-F1070 HydrophobicContact CD1-CE2 4.5Å; L1004-F1070 HydrophobicContact CD1-CG 3.55Å; L1004-F1070 HydrophobicContact CD1-CZ 4.47Å; L1004-F1070 HydrophobicContact CD2-CB 4.15Å; L1004-F1070 HydrophobicContact CD2-CD1 4.43Å; L1004-F1070 HydrophobicContact CD2-CD2 3.45Å; L1004-F1070 VanDerWaalsContact CD2-CD2 3.45Å; L1004-F1070 HydrophobicContact CD2-CE2 3.89Å; L1004-F1070 HydrophobicContact CD2-CG 3.77Å; L1004-F1070 HydrophobicContact CG-CD2 4.31Å; L1004-F1070 HydrophobicContact CG-CG 4.3Å; Y1068-F1070 VanDerWaalsContact C-N 3.3Å; Y1068-F1070 PolarHBondContact O-N 3.48Å
1071	N	84.9	Confident	94.5	Very high	33 Å²	33	45.1 Å²	45.1	18%	0.176	22%	0.219	C	C	.	.			trans	-150.1	0	-174.6	71.7	81.4	0	0	0	115.4	N674 R687 D750 Y1068	N674-N1071 PolarHBondContact ND2-OXT 3.34Å; R687-N1071 PolarHBondContact NH1-OD1 3.2Å; R687-N1071 PolarHBondContact NH2-OD1 2.84Å; D750-N1071 PolarHBondContact N-O 3.5Å; D750-N1071 PolarHBondContact O-N 3.23Å; D750-N1071 VanDerWaalsContact O-N 3.09Å; Y1068-N1071 HydrophobicContact CD1-CB 4.03Å; Y1068-N1071 PolarHBondContact O-ND2 2.94Å

Retrieved 1,071 of 1,071 residues in 399.2 ms (Link to these results)

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