A0A3Q0KPM7_SCHMA Loading...

Splicing factor, suppressor of white-apricot homolog AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KPM7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 951 aa.

						>A0A3Q0KPM7_SCHMA|A0A3Q0KPM7
MNDCSEEKHFLVEGTSCTLFDDREKACEVDGEKLLIPWCGDTSILIDRFDGRGYLTDIYEGDPNCDLSPDDQLSEEEIAIEKMCDFERYLEMQVDVHELAIQDEEARKREAERSRNDYGAVSFSYDENVSQRNGDESYVNKGSTEQHSEEPYNCPPELQQLLSNFQLPESDKQAHIIEKTAVFVSRQGSQMEIVLKAKQNKNPLFGFLTYDHPLNPFYKEIVRLISQGRYVPKPRQTADKPAGTLFTSADESNKSIHEDVYELKLPKVDISNTSYAPLISKFKKINEMAAAVAAANRVIPVSDVQSSVATPEALTETERLLYDPSEIDNSSSEILKDSNRPLDSEKTKTPSPQSEVQADVSTTNESLADVPVVGKDNMISELVDPLSPEEYERIYQEYYKHYYAHYYTHYSNQWALPEHVNDESFNIVQEAAKAAAIAAAAAVNVVQQTRLKASAPVMFEPPLSDEQRGIINKMAEYVVRNGLEFEELVIRQKSKDPRFGFLKSDHPLHSYYMSKRKELDPDDSLTKAADSNFSNISPSKSSKVSSSKKLDSIEKPETMFQDNKAKGGSLKNPQSLDSHKDKKDDFETCNSERQTGISFRLARPITSKSQSTQNTETSAGEIMDIIEAAALEYSESVSKSARRANEQLNKSLSRSKSDSQSKSRKRKTRSPKMCVIPGIPSPSSSSSSESSPPQVESPYSYANRSSGASNSNSVCTSPSISVERHERNKPVHNIQSPVQSVCNTTSPYDNNSCSPVESISNSSSHLTSNWPSCALEDLLDIHEPTSLLDFSADGYQVAVPTAKEERLREERRKKAAQLVTQLKLTNSITKGSINTSTTVPKSSTVITTSTTSDRYRSSPPPAPDSVPAAVAHAVVANMKRRREALEIENKARKRRHRSPPAAYAFTRNRISDRSPRRSPTPRCDSYDREDPRDRDDHHSTKSKKKHKKSHY
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41	Very low	58.8	Low	224 Å²	224	156.6 Å²	156.6	100%	1.103	80%	0.795	S	S	*	*				0	113.1	0	-84.6	178.4	165.7	0	0	104.7
2	N	39.7	Very low	60.7	Low	154 Å²	154	154.7 Å²	154.7	82%	0.824	80%	0.796	S	S	*	*			trans	-128.2	87.9	-153.8	-54	13.8	0	0	0	107.2
3	D	50	Low	62.6	Low	170 Å²	170	155.5 Å²	155.5	91%	0.909	79%	0.794	S	S	*	*			trans	-79.7	122.3	156.6	-72	-50.6	0	0	0	106.5	S5	D3-S5 PolarHBondContact O-N 3.19Å
4	C	44.6	Very low	64.2	Low	120 Å²	120	150 Å²	150	81%	0.811	80%	0.795	S	S	*	*			trans	-76.4	125.2	-173.2	-156.9	0	0	0	0	109.2	E6	C4-E6 PolarHBondContact O-N 2.86Å
5	S	52.6	Low	65.5	Low	88 Å²	88	149.3 Å²	149.3	62%	0.615	80%	0.799	S	S	*	*			trans	-67.4	114.2	168.8	47	0	0	0	0	109	D3 E7	D3-S5 PolarHBondContact O-N 3.19Å; S5-E7 VanDerWaalsContact C-N 3.3Å; S5-E7 PolarHBondContact O-N 3.47Å
6	E	60	Low	66.7	Low	169 Å²	169	147.8 Å²	147.8	79%	0.79	80%	0.804	S	S	*	*			trans	-64.5	88.7	172.6	-67.2	-173.4	160.6	0	0	110.3	C4 K8	C4-E6 PolarHBondContact O-N 2.86Å; E6-K8 PolarHBondContact O-N 2.92Å
7	E	61.9	Low	67.6	Low	140 Å²	140	144.7 Å²	144.7	65%	0.654	80%	0.795	S	S	*	*			trans	-66.2	100.1	168.8	-68.1	-169	180	0	0	108.3	S5 H9	S5-E7 VanDerWaalsContact C-N 3.3Å; S5-E7 PolarHBondContact O-N 3.47Å; E7-H9 VanDerWaalsContact C-N 3.25Å; E7-H9 PolarHBondContact O-CD2 2.87Å; E7-H9 PolarHBondContact O-N 3.43Å
8	K	67.4	Low	68.5	Low	165 Å²	165	142.7 Å²	142.7	72%	0.717	79%	0.787	S	S	*	*			trans	-69	83.7	177.2	-67.5	-172.5	178.8	-175.7	0	110.1	E6 F10	E6-K8 PolarHBondContact O-N 2.92Å; K8-F10 WeakPolarHBondContact O-CD2 3.48Å; K8-F10 PolarHBondContact O-N 3.05Å; K8-F10 VanDerWaalsContact O-N 3.11Å
9	H	72.3	Confident	69.1	Low	162 Å²	162	142.8 Å²	142.8	75%	0.75	79%	0.786	S	S	*	*			trans	-61.3	109.1	171.4	-70.5	-80.9	0	0	0	109.9	E7 L11	E7-H9 VanDerWaalsContact C-N 3.25Å; E7-H9 PolarHBondContact O-CD2 2.87Å; E7-H9 PolarHBondContact O-N 3.43Å; H9-L11 PolarHBondContact O-N 3.38Å
10	F	76.9	Confident	69.8	Low	189 Å²	189	144.2 Å²	144.2	83%	0.829	78%	0.784	S	S	*	*			trans	-73.4	113.1	168.2	-70.8	-87.5	0	0	0	109.2	K8	K8-F10 WeakPolarHBondContact O-CD2 3.48Å; K8-F10 PolarHBondContact O-N 3.05Å; K8-F10 VanDerWaalsContact O-N 3.11Å
11	L	80.4	Confident	70.4	Confident	142 Å²	142	145 Å²	145	74%	0.743	79%	0.787	S	S	*	*			trans	-83.2	126.6	168.7	-178.3	62.9	0	0	0	109	H9 E13	H9-L11 PolarHBondContact O-N 3.38Å; L11-E13 HydrophobicContact CD1-CG 4.49Å; L11-E13 HydrophobicContact CD2-CG 3.96Å; L11-E13 HydrophobicContact CG-CG 3.92Å
12	V	81	Confident	72.6	Confident	133 Å²	133	137.2 Å²	137.2	81%	0.806	75%	0.751	S	S	*	*			trans	-113	101.8	173.2	-179.6	0	0	0	0	107.9
13	E	85.4	Confident	74.7	Confident	166 Å²	166	139.7 Å²	139.7	78%	0.776	75%	0.748	S	S	*	*			trans	-89.1	127.4	173.1	-59.1	-165.1	153.2	0	0	110.2	L11	L11-E13 HydrophobicContact CD1-CG 4.49Å; L11-E13 HydrophobicContact CD2-CG 3.96Å; L11-E13 HydrophobicContact CG-CG 3.92Å
14	G	85.8	Confident	76.4	Confident	78 Å²	78	139.2 Å²	139.2	80%	0.804	74%	0.741	S	S	*	*			trans	-112.5	124	173.1	0	0	0	0	0	110.6
15	T	83.6	Confident	78.3	Confident	140 Å²	140	139.3 Å²	139.3	86%	0.859	73%	0.727	S	S	*	*			trans	-90.2	139.8	171	52	0	0	0	0	110.5	C17	T15-C17 PolarHBondContact O-N 3.42Å; T15-C17 VanDerWaalsContact O-N 3.16Å
16	S	85	Confident	79.9	Confident	124 Å²	124	137.2 Å²	137.2	87%	0.867	72%	0.715	S	S	*	*			trans	-80.1	94.4	175.5	43	0	0	0	0	110.3
17	C	81.4	Confident	81.1	Confident	96 Å²	96	132.4 Å²	132.4	65%	0.649	70%	0.699	S	S	*	*			trans	-70.8	139.5	166.4	62.8	0	0	0	0	110.3	T15	T15-C17 PolarHBondContact O-N 3.42Å; T15-C17 VanDerWaalsContact O-N 3.16Å
18	T	84.2	Confident	82.3	Confident	108 Å²	108	129.5 Å²	129.5	66%	0.663	69%	0.686	S	S	*	*			trans	-91.3	103.6	165.3	27.7	0	0	0	0	107.5	F20	T18-F20 WeakPolarHBondContact O-CD2 3.2Å; T18-F20 WeakPolarHBondContact O-CE2 3.42Å; T18-F20 PolarHBondContact O-N 3.38Å; T18-F20 WeakPolarHBondContact OG1-CE2 3.31Å
19	L	80.3	Confident	83.1	Confident	146 Å²	146	125.9 Å²	125.9	76%	0.764	68%	0.677	S	S	*	*			trans	-72.9	118.2	170.5	-62	179.9	0	0	0	108.2
20	F	82.3	Confident	83.7	Confident	169 Å²	169	124.4 Å²	124.4	74%	0.741	68%	0.675	S	S	*	*			trans	-101.5	110.9	172.4	-65.4	-86	0	0	0	107.7	T18 D22	T18-F20 WeakPolarHBondContact O-CD2 3.2Å; T18-F20 WeakPolarHBondContact O-CE2 3.42Å; T18-F20 PolarHBondContact O-N 3.38Å; T18-F20 WeakPolarHBondContact OG1-CE2 3.31Å; F20-D22 PolarHBondContact O-N 2.86Å
21	D	83.6	Confident	84.1	Confident	161 Å²	161	117.4 Å²	117.4	86%	0.861	66%	0.656	S	S	*	*			trans	-73.4	58.4	175.9	-70.7	-20.8	0	0	0	111.1	R23	D21-R23 PolarHBondContact O-N 2.9Å
22	D	85.6	Confident	84.4	Confident	62 Å²	62	116.2 Å²	116.2	33%	0.332	65%	0.647	S	S	.	*			trans	-77	77.8	176.7	-165.2	-33.2	0	0	0	109.5	F20 E24 K25 A26	F20-D22 PolarHBondContact O-N 2.86Å; D22-E24 PolarHBondContact O-N 2.94Å; D22-E24 PolarHBondContact OD1-N 2.72Å; D22-K25 HydrophobicContact CB-CB 4.22Å; D22-K25 HydrophobicContact CB-CG 4.47Å; D22-K25 PolarHBondContact O-N 2.82Å; D22-K25 PolarHBondContact OD1-N 3.15Å; D22-K25 IonicContact OD2-NZ 2.76Å; D22-K25 PolarHBondContact OD2-NZ 3.46Å; D22-A26 PolarHBondContact O-N 3.12Å
23	R	85	Confident	84.5	Confident	205 Å²	205	116.6 Å²	116.6	77%	0.774	64%	0.638	S	S	*	*	H	α-helix	trans	-59.2	-28.1	-177.7	-174.2	174.7	-178.2	169.7	2.9	112.7	D21 C27	D21-R23 PolarHBondContact O-N 2.9Å; R23-C27 PolarHBondContact O-N 3.25Å; R23-C27 VanDerWaalsContact O-N 3.1Å; R23-C27 PolarHBondContact O-SG 3.22Å; R23-C27 VanDerWaalsContact O-SG 3.38Å
24	E	86	Confident	84.5	Confident	161 Å²	161	113.3 Å²	113.3	75%	0.752	63%	0.625	S	S	*	*	H	α-helix	trans	-67.5	-53.1	175.9	-64.1	-173.4	170.8	0	0	109.5	D22 A26 C27 E28	D22-E24 PolarHBondContact O-N 2.94Å; D22-E24 PolarHBondContact OD1-N 2.72Å; E24-A26 VanDerWaalsContact C-N 3.32Å; E24-A26 PolarHBondContact O-N 2.94Å; E24-C27 CarbonylContact O-C 3.56Å; E24-C27 PolarHBondContact O-N 2.9Å; E24-C27 VanDerWaalsContact O-N 3.13Å; E24-E28 WeakPolarHBondContact O-CG 3.3Å; E24-E28 PolarHBondContact O-N 3.11Å; E24-E28 VanDerWaalsContact O-N 3.08Å
25	K	84.5	Confident	84.7	Confident	122 Å²	122	112.5 Å²	112.5	53%	0.53	60%	0.602	S	S	.	*	H	α-helix	trans	-59.7	-38.5	174.1	-71.5	-168	-173.7	82.5	0	113.4	D22 C27 E28 V29	D22-K25 HydrophobicContact CB-CB 4.22Å; D22-K25 HydrophobicContact CB-CG 4.47Å; D22-K25 PolarHBondContact O-N 2.82Å; D22-K25 PolarHBondContact OD1-N 3.15Å; D22-K25 IonicContact OD2-NZ 2.76Å; D22-K25 PolarHBondContact OD2-NZ 3.46Å; K25-C27 VanDerWaalsContact C-N 3.32Å; K25-C27 PolarHBondContact O-N 3.41Å; K25-E28 WeakPolarHBondContact O-CA 3.32Å; K25-E28 WeakPolarHBondContact O-CB 3.38Å; K25-E28 PolarHBondContact O-N 2.64Å; K25-V29 WeakPolarHBondContact O-CG2 3.31Å; K25-V29 PolarHBondContact O-N 2.71Å
26	A	85.2	Confident	84.9	Confident	44 Å²	44	109.6 Å²	109.6	36%	0.364	58%	0.58	S	S	.	*	H	α-helix	trans	-57.3	-46.5	175	0	0	0	0	0	111.1	D22 E24 E28 V29 D30	D22-A26 PolarHBondContact O-N 3.12Å; E24-A26 VanDerWaalsContact C-N 3.32Å; E24-A26 PolarHBondContact O-N 2.94Å; A26-E28 PolarHBondContact O-N 3.32Å; A26-V29 PolarHBondContact O-N 3.26Å; A26-D30 WeakPolarHBondContact O-CB 3.49Å; A26-D30 VanDerWaalsContact O-CG 3.24Å; A26-D30 PolarHBondContact O-N 2.93Å
27	C	86.3	Confident	85.1	Confident	67 Å²	67	106.5 Å²	106.5	45%	0.453	56%	0.557	S	S	.	*	H	α-helix	trans	-73.3	-5.6	174.6	-65.2	0	0	0	0	114.8	R23 E24 K25	R23-C27 PolarHBondContact O-N 3.25Å; R23-C27 VanDerWaalsContact O-N 3.1Å; R23-C27 PolarHBondContact O-SG 3.22Å; R23-C27 VanDerWaalsContact O-SG 3.38Å; E24-C27 CarbonylContact O-C 3.56Å; E24-C27 PolarHBondContact O-N 2.9Å; E24-C27 VanDerWaalsContact O-N 3.13Å; K25-C27 VanDerWaalsContact C-N 3.32Å; K25-C27 PolarHBondContact O-N 3.41Å
28	E	85.7	Confident	85.4	Confident	79 Å²	79	104.3 Å²	104.3	37%	0.369	54%	0.535	S	S	.	.	H	α-helix	trans	-90.2	-35.7	167.4	-63.8	-170.2	141	0	0	112.1	E24 K25 A26 E32 K33	E24-E28 WeakPolarHBondContact O-CG 3.3Å; E24-E28 PolarHBondContact O-N 3.11Å; E24-E28 VanDerWaalsContact O-N 3.08Å; K25-E28 WeakPolarHBondContact O-CA 3.32Å; K25-E28 WeakPolarHBondContact O-CB 3.38Å; K25-E28 PolarHBondContact O-N 2.64Å; A26-E28 PolarHBondContact O-N 3.32Å; E28-E32 PolarHBondContact O-N 3.25Å; E28-K33 HydrophobicContact CB-CD 4.25Å; E28-K33 HydrophobicContact CG-CD 4.07Å; E28-K33 PolarHBondContact O-N 3.07Å; E28-K33 VanDerWaalsContact O-N 3.08Å
29	V	84.7	Confident	85.3	Confident	89 Å²	89	103.5 Å²	103.5	54%	0.539	53%	0.533	S	S	.	.	H	α-helix	trans	-65.7	-54.8	169.8	175.9	0	0	0	0	110.3	K25 A26 G31 E32 L34	K25-V29 WeakPolarHBondContact O-CG2 3.31Å; K25-V29 PolarHBondContact O-N 2.71Å; A26-V29 PolarHBondContact O-N 3.26Å; V29-G31 PolarHBondContact O-N 2.97Å; V29-G31 VanDerWaalsContact O-N 3.13Å; V29-E32 PolarHBondContact O-N 3.25Å; V29-L34 HydrophobicContact CG2-CD1 3.72Å
30	D	84.8	Confident	85.3	Confident	131 Å²	131	99.5 Å²	99.5	70%	0.701	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.2	177.6	-65.9	-19	0	0	0	112.7	A26	A26-D30 WeakPolarHBondContact O-CB 3.49Å; A26-D30 VanDerWaalsContact O-CG 3.24Å; A26-D30 PolarHBondContact O-N 2.93Å
31	G	86.4	Confident	85.3	Confident	42 Å²	42	95 Å²	95	43%	0.433	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	11.9	177.6	0	0	0	0	0	114.3	V29 K33	V29-G31 PolarHBondContact O-N 2.97Å; V29-G31 VanDerWaalsContact O-N 3.13Å; G31-K33 WeakPolarHBondContact O-CG 3.43Å; G31-K33 PolarHBondContact O-N 2.94Å
32	E	85.2	Confident	85.4	Confident	118 Å²	118	92.7 Å²	92.7	55%	0.551	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	8.1	178.2	-62	179	164.9	0	0	115.5	E28 V29 L34 L35 L45	E28-E32 PolarHBondContact O-N 3.25Å; V29-E32 PolarHBondContact O-N 3.25Å; E32-L34 PolarHBondContact O-N 2.98Å; E32-L34 VanDerWaalsContact O-N 3.07Å; E32-L35 HydrophobicContact CB-CD1 4.1Å; E32-L35 HydrophobicContact CG-CD1 4.2Å; E32-L35 WeakPolarHBondContact O-CB 3.41Å; E32-L35 PolarHBondContact O-N 2.87Å; E32-L45 HydrophobicContact CB-CD1 4.07Å
33	K	84.3	Confident	85.5	Confident	140 Å²	140	94.1 Å²	94.1	61%	0.609	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-15	-170.8	-59.1	-179.2	-168.9	156.3	0	114.8	E28 G31	E28-K33 HydrophobicContact CB-CD 4.25Å; E28-K33 HydrophobicContact CG-CD 4.07Å; E28-K33 PolarHBondContact O-N 3.07Å; E28-K33 VanDerWaalsContact O-N 3.08Å; G31-K33 WeakPolarHBondContact O-CG 3.43Å; G31-K33 PolarHBondContact O-N 2.94Å
34	L	84.4	Confident	85.5	Confident	98 Å²	98	87.2 Å²	87.2	51%	0.513	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-11.1	178.8	-58.3	-178.6	0	0	0	112.7	V29 E32	V29-L34 HydrophobicContact CG2-CD1 3.72Å; E32-L34 PolarHBondContact O-N 2.98Å; E32-L34 VanDerWaalsContact O-N 3.07Å
35	L	90	Very high	85.7	Confident	60 Å²	60	82.2 Å²	82.2	31%	0.314	47%	0.474	S	S	.	.			trans	-84.5	157	178.4	-52.1	-178.9	0	0	0	111.3	E32 L45 I46 D47	E32-L35 HydrophobicContact CB-CD1 4.1Å; E32-L35 HydrophobicContact CG-CD1 4.2Å; E32-L35 WeakPolarHBondContact O-CB 3.41Å; E32-L35 PolarHBondContact O-N 2.87Å; L35-L45 HydrophobicContact CB-CB 3.77Å; L35-L45 HydrophobicContact CD1-CB 3.76Å; L35-L45 HydrophobicContact CG-CB 4.43Å; L35-I46 CarbonylContact C-O 3.47Å; L35-I46 VanDerWaalsContact CA-O 3.28Å; L35-I46 WeakPolarHBondContact CA-O 3.49Å; L35-I46 WeakPolarHBondContact CB-O 3.39Å; L35-D47 HydrophobicContact CD2-CB 4.38Å
36	I	88.6	Confident	85.9	Confident	79 Å²	79	76.6 Å²	76.6	41%	0.405	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	145.3	178.4	58.2	175.1	0	0	0	110.8	W38 I46	I36-W38 PolarHBondContact O-N 3.1Å; I36-I46 HydrophobicContact CG1-CG1 3.84Å; I36-I46 WeakPolarHBondContact CG1-O 3.37Å; I36-I46 PolarHBondContact N-O 3.22Å; I36-I46 WeakPolarHBondContact O-CG1 3.2Å; I36-I46 PolarHBondContact O-N 2.78Å
37	P	89.2	Confident	86.2	Confident	60 Å²	60	77.9 Å²	77.9	39%	0.39	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	127.1	173.4	-24.4	35.7	0	0	0	112.4	D41 T42 L45	P37-D41 WeakPolarHBondContact CB-O 3.31Å; P37-T42 HydrophobicContact CB-CG2 4.41Å; P37-T42 HydrophobicContact CG-CG2 4.06Å; P37-L45 HydrophobicContact CG-CD2 4.09Å
38	W	86.3	Confident	86.2	Confident	49 Å²	49	83.7 Å²	83.7	19%	0.186	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	132.4	174.1	-175.3	48.8	0	0	0	110.9	I36 G40 D41 I44 I46 R52 I58	I36-W38 PolarHBondContact O-N 3.1Å; W38-G40 PolarHBondContact O-N 3.37Å; W38-D41 PolarHBondContact O-N 2.92Å; W38-I44 HydrophobicContact CB-CB 4.42Å; W38-I44 HydrophobicContact CB-CG2 4.19Å; W38-I44 HydrophobicContact CE3-CB 4.45Å; W38-I44 HydrophobicContact CE3-CD1 4.01Å; W38-I44 HydrophobicContact CE3-CG2 3.93Å; W38-I44 HydrophobicContact CZ3-CD1 4.27Å; W38-I44 PolarHBondContact N-O 2.79Å; W38-I46 HydrophobicContact CB-CD1 3.91Å; W38-I46 HydrophobicContact CB-CG1 4.15Å; W38-I46 HydrophobicContact CB-CG2 3.82Å; W38-I46 HydrophobicContact CG-CD1 4.04Å; W38-I46 HydrophobicContact CG-CG2 4.36Å; W38-R52 HydrophobicContact CD2-CB 4.42Å; W38-R52 HydrophobicContact CZ2-CB 4.17Å; W38-R52 PolarHBondContact NE1-O 2.68Å; W38-I58 HydrophobicContact CH2-CD1 3.54Å; W38-I58 HydrophobicContact CZ2-CD1 3.64Å; W38-I58 HydrophobicContact CZ3-CD1 4.43Å
39	C	82.4	Confident	86.3	Confident	91 Å²	91	87.5 Å²	87.5	62%	0.615	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	18.8	-176.1	-61.9	0	0	0	0	115.3
40	G	80.8	Confident	86.6	Confident	63 Å²	63	85.2 Å²	85.2	65%	0.649	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.1	-3.2	-175.3	0	0	0	0	0	115.5	W38 T42	W38-G40 PolarHBondContact O-N 3.37Å; G40-T42 PolarHBondContact O-N 3.26Å
41	D	82.8	Confident	86.6	Confident	74 Å²	74	81.7 Å²	81.7	40%	0.396	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	114.1	176.8	-170.6	-16.7	0	0	0	111	P37 W38 S43 I44	P37-D41 WeakPolarHBondContact CB-O 3.31Å; W38-D41 PolarHBondContact O-N 2.92Å; D41-S43 PolarHBondContact O-N 3.23Å; D41-S43 VanDerWaalsContact OD1-CB 3.28Å; D41-S43 WeakPolarHBondContact OD1-CB 3.49Å; D41-S43 PolarHBondContact OD1-N 3.05Å; D41-S43 PolarHBondContact OD1-OG 3.01Å; D41-S43 PolarHBondContact OD2-OG 3.35Å; D41-S43 VanDerWaalsContact OD2-OG 3.08Å; D41-I44 PolarHBondContact O-N 3.27Å
42	T	85.6	Confident	86.6	Confident	112 Å²	112	84.5 Å²	84.5	69%	0.687	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	-8.1	178.5	52.1	0	0	0	0	114.2	P37 G40	P37-T42 HydrophobicContact CB-CG2 4.41Å; P37-T42 HydrophobicContact CG-CG2 4.06Å; G40-T42 PolarHBondContact O-N 3.26Å
43	S	87.1	Confident	86.5	Confident	93 Å²	93	81.1 Å²	81.1	65%	0.65	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	-19.5	172.2	74.5	0	0	0	0	113.2	D41	D41-S43 PolarHBondContact O-N 3.23Å; D41-S43 VanDerWaalsContact OD1-CB 3.28Å; D41-S43 WeakPolarHBondContact OD1-CB 3.49Å; D41-S43 PolarHBondContact OD1-N 3.05Å; D41-S43 PolarHBondContact OD1-OG 3.01Å; D41-S43 PolarHBondContact OD2-OG 3.35Å; D41-S43 VanDerWaalsContact OD2-OG 3.08Å
44	I	85.5	Confident	86.4	Confident	60 Å²	60	83.7 Å²	83.7	31%	0.308	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	87.5	177.5	-49.7	179.1	0	0	0	109.3	W38 D41 I46	W38-I44 HydrophobicContact CB-CB 4.42Å; W38-I44 HydrophobicContact CB-CG2 4.19Å; W38-I44 HydrophobicContact CE3-CB 4.45Å; W38-I44 HydrophobicContact CE3-CD1 4.01Å; W38-I44 HydrophobicContact CE3-CG2 3.93Å; W38-I44 HydrophobicContact CZ3-CD1 4.27Å; W38-I44 PolarHBondContact N-O 2.79Å; D41-I44 PolarHBondContact O-N 3.27Å; I44-I46 HydrophobicContact CG2-CG2 4.17Å
45	L	89.6	Confident	86.1	Confident	56 Å²	56	83.2 Å²	83.2	29%	0.293	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	134.2	172.7	-61.6	-177.5	0	0	0	110.7	E32 L35 P37	E32-L45 HydrophobicContact CB-CD1 4.07Å; L35-L45 HydrophobicContact CB-CB 3.77Å; L35-L45 HydrophobicContact CD1-CB 3.76Å; L35-L45 HydrophobicContact CG-CB 4.43Å; P37-L45 HydrophobicContact CG-CD2 4.09Å
46	I	89	Confident	85.3	Confident	4 Å²	4	85.3 Å²	85.3	2%	0.021	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	156.2	-178.6	67.6	168.7	0	0	0	111.1	L35 I36 W38 I44 D50 R52	L35-I46 CarbonylContact C-O 3.47Å; L35-I46 VanDerWaalsContact CA-O 3.28Å; L35-I46 WeakPolarHBondContact CA-O 3.49Å; L35-I46 WeakPolarHBondContact CB-O 3.39Å; I36-I46 HydrophobicContact CG1-CG1 3.84Å; I36-I46 WeakPolarHBondContact CG1-O 3.37Å; I36-I46 PolarHBondContact N-O 3.22Å; I36-I46 WeakPolarHBondContact O-CG1 3.2Å; I36-I46 PolarHBondContact O-N 2.78Å; W38-I46 HydrophobicContact CB-CD1 3.91Å; W38-I46 HydrophobicContact CB-CG1 4.15Å; W38-I46 HydrophobicContact CB-CG2 3.82Å; W38-I46 HydrophobicContact CG-CD1 4.04Å; W38-I46 HydrophobicContact CG-CG2 4.36Å; I44-I46 HydrophobicContact CG2-CG2 4.17Å; I46-D50 HydrophobicContact CB-CB 3.95Å; I46-D50 HydrophobicContact CD1-CB 4.28Å; I46-D50 HydrophobicContact CG1-CB 4.42Å; I46-R52 HydrophobicContact CD1-CB 4.44Å; I46-R52 VanDerWaalsContact CG2-CZ 3.42Å
47	D	90.9	Very high	84.3	Confident	70 Å²	70	86.8 Å²	86.8	37%	0.374	48%	0.481	S	S	.	.			trans	-68.7	154.2	172.5	-177.3	-101	0	0	0	111.1	L35 F49 D50	L35-D47 HydrophobicContact CD2-CB 4.38Å; D47-F49 PolarHBondContact O-N 2.99Å; D47-F49 VanDerWaalsContact O-N 3.11Å; D47-F49 WeakPolarHBondContact OD1-CB 3.21Å; D47-F49 PolarHBondContact OD1-N 3.47Å; D47-D50 HydrophobicContact CB-CB 4.29Å; D47-D50 VanDerWaalsContact O-CB 3.25Å; D47-D50 WeakPolarHBondContact O-CB 3.47Å; D47-D50 PolarHBondContact O-N 3.46Å
48	R	87.8	Confident	83.3	Confident	190 Å²	190	88.6 Å²	88.6	72%	0.717	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.1	176.8	-178.3	173	178.9	177.1	1.3	113.9
49	F	86.8	Confident	82.2	Confident	159 Å²	159	96.6 Å²	96.6	70%	0.697	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.1	13.6	178.2	-53.6	-78.3	0	0	0	112.9	D47	D47-F49 PolarHBondContact O-N 2.99Å; D47-F49 VanDerWaalsContact O-N 3.11Å; D47-F49 WeakPolarHBondContact OD1-CB 3.21Å; D47-F49 PolarHBondContact OD1-N 3.47Å
50	D	90.2	Very high	81.1	Confident	41 Å²	41	101.1 Å²	101.1	22%	0.219	53%	0.53	C	S	.	.			trans	-64.3	134	174.3	-168.9	-59.6	0	0	0	110.9	I46 D47 R52 G53	I46-D50 HydrophobicContact CB-CB 3.95Å; I46-D50 HydrophobicContact CD1-CB 4.28Å; I46-D50 HydrophobicContact CG1-CB 4.42Å; D47-D50 HydrophobicContact CB-CB 4.29Å; D47-D50 VanDerWaalsContact O-CB 3.25Å; D47-D50 WeakPolarHBondContact O-CB 3.47Å; D47-D50 PolarHBondContact O-N 3.46Å; D50-R52 PolarHBondContact O-N 2.81Å; D50-R52 VanDerWaalsContact O-N 3.13Å; D50-R52 VanDerWaalsContact OD1-CB 3.25Å; D50-R52 WeakPolarHBondContact OD1-CB 3.48Å; D50-R52 WeakPolarHBondContact OD1-CG 3.25Å; D50-R52 IonicContact OD1-CZ 2.62Å; D50-R52 PolarHBondContact OD1-N 3.15Å; D50-R52 IonicContact OD1-NE 3.82Å; D50-R52 PolarHBondContact OD1-NE 3.46Å; D50-R52 IonicContact OD1-NH2 2.57Å; D50-R52 IonicContact OD2-CZ 3.61Å; D50-R52 IonicContact OD2-NE 3.54Å; D50-R52 PolarHBondContact OD2-NE 2.81Å; D50-R52 IonicContact OD2-NH2 2.63Å; D50-R52 PolarHBondContact OD2-NH2 2.96Å; D50-G53 PolarHBondContact O-N 3.43Å
51	G	85.9	Confident	79.8	Confident	56 Å²	56	101 Å²	101	58%	0.577	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-57.3	-28.8	-178.7	0	0	0	0	0	113.8	G53 Y54	G51-G53 PolarHBondContact O-N 3.28Å; G51-Y54 PolarHBondContact O-N 3.45Å; G51-Y54 VanDerWaalsContact O-N 3.15Å
52	R	86.4	Confident	78.3	Confident	101 Å²	101	102.9 Å²	102.9	38%	0.381	54%	0.539	S	S	.	.	G	3₁₀ helix	trans	-62.5	-27.3	175.8	-66.1	173.9	-74	171.7	-5.6	112.6	W38 I46 D50 Y54 L55	W38-R52 HydrophobicContact CD2-CB 4.42Å; W38-R52 HydrophobicContact CZ2-CB 4.17Å; W38-R52 PolarHBondContact NE1-O 2.68Å; I46-R52 HydrophobicContact CD1-CB 4.44Å; I46-R52 VanDerWaalsContact CG2-CZ 3.42Å; D50-R52 PolarHBondContact O-N 2.81Å; D50-R52 VanDerWaalsContact O-N 3.13Å; D50-R52 VanDerWaalsContact OD1-CB 3.25Å; D50-R52 WeakPolarHBondContact OD1-CB 3.48Å; D50-R52 WeakPolarHBondContact OD1-CG 3.25Å; D50-R52 IonicContact OD1-CZ 2.62Å; D50-R52 PolarHBondContact OD1-N 3.15Å; D50-R52 IonicContact OD1-NE 3.82Å; D50-R52 PolarHBondContact OD1-NE 3.46Å; D50-R52 IonicContact OD1-NH2 2.57Å; D50-R52 IonicContact OD2-CZ 3.61Å; D50-R52 IonicContact OD2-NE 3.54Å; D50-R52 PolarHBondContact OD2-NE 2.81Å; D50-R52 IonicContact OD2-NH2 2.63Å; D50-R52 PolarHBondContact OD2-NH2 2.96Å; R52-Y54 PolarHBondContact O-N 2.64Å; R52-Y54 VanDerWaalsContact O-N 3.13Å; R52-L55 PolarHBondContact O-N 2.88Å
53	G	83.4	Confident	77	Confident	47 Å²	47	102.4 Å²	102.4	49%	0.485	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-63.8	-13.1	175.9	0	0	0	0	0	114.6	D50 G51	D50-G53 PolarHBondContact O-N 3.43Å; G51-G53 PolarHBondContact O-N 3.28Å
54	Y	82.4	Confident	75.5	Confident	194 Å²	194	104.6 Å²	104.6	76%	0.761	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-95.6	-10.4	173.6	-65.9	-85.4	0	0	0	113.8	G51 R52 T56	G51-Y54 PolarHBondContact O-N 3.45Å; G51-Y54 VanDerWaalsContact O-N 3.15Å; R52-Y54 PolarHBondContact O-N 2.64Å; R52-Y54 VanDerWaalsContact O-N 3.13Å; Y54-T56 PolarHBondContact O-N 3.23Å
55	L	77.9	Confident	73.7	Confident	89 Å²	89	106.1 Å²	106.1	47%	0.466	56%	0.557	S	S	.	*			trans	-95.9	88.5	-179.6	-170.2	71.7	0	0	0	109.6	R52 I58	R52-L55 PolarHBondContact O-N 2.88Å; L55-I58 HydrophobicContact CD2-CG1 4.37Å; L55-I58 HydrophobicContact CD2-CG2 4.33Å; L55-I58 HydrophobicContact CG-CG1 4.49Å
56	T	72.2	Confident	71.9	Confident	104 Å²	104	111 Å²	111	64%	0.638	58%	0.584	S	S	*	*			trans	-78.3	-36.6	-178.3	45.2	0	0	0	0	113.3	Y54	Y54-T56 PolarHBondContact O-N 3.23Å
57	D	68.8	Low	70.2	Confident	109 Å²	109	115.4 Å²	115.4	58%	0.583	61%	0.607	S	S	*	*			trans	-124.7	88.8	-165	-60.4	-79.6	0	0	0	110.9	Y59	D57-Y59 PolarHBondContact O-N 2.9Å
58	I	66.5	Low	68.6	Low	98 Å²	98	114 Å²	114	50%	0.503	60%	0.602	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.4	11.3	-177.4	-26.6	178.7	0	0	0	112.4	W38 L55	W38-I58 HydrophobicContact CH2-CD1 3.54Å; W38-I58 HydrophobicContact CZ2-CD1 3.64Å; W38-I58 HydrophobicContact CZ3-CD1 4.43Å; L55-I58 HydrophobicContact CD2-CG1 4.37Å; L55-I58 HydrophobicContact CD2-CG2 4.33Å; L55-I58 HydrophobicContact CG-CG1 4.49Å
59	Y	63.6	Low	67	Low	217 Å²	217	109 Å²	109	85%	0.851	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.8	3.9	-165.9	-78.7	-74.3	0	0	0	115.3	D57 G61	D57-Y59 PolarHBondContact O-N 2.9Å; Y59-G61 PolarHBondContact O-N 3.27Å
60	E	59.2	Low	65.5	Low	186 Å²	186	105.2 Å²	105.2	87%	0.869	58%	0.582	S	S	*	*			trans	-81	29.1	178.7	-59.4	-161.1	142.9	0	0	114.1
61	G	54.4	Low	64.1	Low	62 Å²	62	109.5 Å²	109.5	64%	0.639	60%	0.604	S	S	*	*	S	Bend	trans	-92.6	114	167.2	0	0	0	0	0	110.3	Y59 P63	Y59-G61 PolarHBondContact O-N 3.27Å; G61-P63 WeakPolarHBondContact O-CD 3.48Å
62	D	51.8	Low	63	Low	113 Å²	113	112.7 Å²	112.7	60%	0.604	60%	0.604	S	S	*	*			trans	-63.6	115.8	-176.2	-171.2	-15.5	0	0	0	111.5	N64	D62-N64 PolarHBondContact O-N 3.25Å; D62-N64 VanDerWaalsContact O-N 3.11Å; D62-N64 WeakPolarHBondContact OD1-CB 3.43Å; D62-N64 PolarHBondContact OD1-N 2.9Å; D62-N64 PolarHBondContact OD1-ND2 3.44Å
63	P	57.8	Low	62.2	Low	102 Å²	102	111 Å²	111	66%	0.662	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	1.4	-177	32.3	-37.7	0	0	0	113.9	G61 C65	G61-P63 WeakPolarHBondContact O-CD 3.48Å; P63-C65 VanDerWaalsContact C-N 3.28Å; P63-C65 PolarHBondContact O-N 3.28Å
64	N	54.4	Low	62.1	Low	138 Å²	138	111.3 Å²	111.3	74%	0.738	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	1.4	178.2	-64.4	-79.6	0	0	0	113.9	D62 D66	D62-N64 PolarHBondContact O-N 3.25Å; D62-N64 VanDerWaalsContact O-N 3.11Å; D62-N64 WeakPolarHBondContact OD1-CB 3.43Å; D62-N64 PolarHBondContact OD1-N 2.9Å; D62-N64 PolarHBondContact OD1-ND2 3.44Å; N64-D66 VanDerWaalsContact C-N 3.28Å; N64-D66 PolarHBondContact O-N 3.04Å
65	C	48.8	Very low	62.1	Low	93 Å²	93	110.5 Å²	110.5	63%	0.628	60%	0.601	S	S	*	*			trans	-90.3	43.1	176.1	-148.6	0	0	0	0	113.2	P63 L67	P63-C65 VanDerWaalsContact C-N 3.28Å; P63-C65 PolarHBondContact O-N 3.28Å; C65-L67 PolarHBondContact O-N 2.91Å
66	D	51.7	Low	62.1	Low	158 Å²	158	112.7 Å²	112.7	85%	0.845	61%	0.609	S	S	*	*			trans	-71.8	24.5	172.5	-86.6	-19.2	0	0	0	113	N64 S68	N64-D66 VanDerWaalsContact C-N 3.28Å; N64-D66 PolarHBondContact O-N 3.04Å; D66-S68 PolarHBondContact O-N 3.45Å
67	L	53.6	Low	62.5	Low	97 Å²	97	112.2 Å²	112.2	51%	0.508	60%	0.599	S	S	.	*			trans	-82.5	112.6	170.6	-67	174.9	0	0	0	108.1	C65 Q72	C65-L67 PolarHBondContact O-N 2.91Å; L67-Q72 HydrophobicContact CB-CG 4.22Å; L67-Q72 HydrophobicContact CD1-CG 3.99Å
68	S	55.9	Low	63.2	Low	39 Å²	39	108.5 Å²	108.5	27%	0.273	58%	0.579	S	S	.	*			trans	-54.4	140.1	173.1	-162.9	0	0	0	0	109.5	D66 D70 D71	D66-S68 PolarHBondContact O-N 3.45Å; S68-D70 PolarHBondContact O-N 3.39Å; S68-D70 VanDerWaalsContact O-N 3.15Å; S68-D71 WeakPolarHBondContact CB-OD2 3.35Å; S68-D71 WeakPolarHBondContact O-CB 3.28Å; S68-D71 PolarHBondContact O-N 3.4Å
69	P	54.4	Low	64.1	Low	85 Å²	85	106.7 Å²	106.7	55%	0.552	58%	0.578	S	S	*	*	H	α-helix	trans	-54.2	-36.3	-179.7	-28.9	36.5	0	0	0	113.4	D71 L73	P69-D71 VanDerWaalsContact C-N 3.28Å; P69-D71 PolarHBondContact O-N 2.84Å; P69-L73 WeakPolarHBondContact O-CD1 3.41Å; P69-L73 WeakPolarHBondContact O-CG 3.31Å
70	D	55.8	Low	64.9	Low	81 Å²	81	98.1 Å²	98.1	43%	0.433	55%	0.547	S	S	.	.	H	α-helix	trans	-69.5	-12.8	175.8	-57.9	-90.2	0	0	0	114.4	S68 I78 K82	S68-D70 PolarHBondContact O-N 3.39Å; S68-D70 VanDerWaalsContact O-N 3.15Å; D70-I78 HydrophobicContact CB-CD1 3.98Å; D70-K82 IonicContact OD1-NZ 3.39Å; D70-K82 PolarHBondContact OD1-NZ 2.96Å
71	D	61	Low	66	Low	130 Å²	130	93.5 Å²	93.5	70%	0.695	53%	0.525	S	S	*	.	H	α-helix	trans	-88.2	-14.5	178.9	-82.4	-49.2	0	0	0	113.8	S68 P69	S68-D71 WeakPolarHBondContact CB-OD2 3.35Å; S68-D71 WeakPolarHBondContact O-CB 3.28Å; S68-D71 PolarHBondContact O-N 3.4Å; P69-D71 VanDerWaalsContact C-N 3.28Å; P69-D71 PolarHBondContact O-N 2.84Å
72	Q	63.9	Low	67.5	Low	123 Å²	123	96.7 Å²	96.7	58%	0.575	52%	0.521	S	S	*	.	H	α-helix	trans	-106.6	-16.7	178.9	-72.4	-175.3	92	0	0	113.8	L67	L67-Q72 HydrophobicContact CB-CG 4.22Å; L67-Q72 HydrophobicContact CD1-CG 3.99Å
73	L	68.3	Low	68.7	Low	65 Å²	65	93.2 Å²	93.2	34%	0.34	50%	0.502	S	S	.	.	S	Bend	trans	-98.8	133.8	-178.4	-61.8	172.5	0	0	0	109.5	P69 E77 I78	P69-L73 WeakPolarHBondContact O-CD1 3.41Å; P69-L73 WeakPolarHBondContact O-CG 3.31Å; L73-E77 HydrophobicContact CB-CB 3.9Å; L73-E77 HydrophobicContact CD2-CB 3.96Å; L73-E77 HydrophobicContact CG-CB 4.47Å; L73-I78 HydrophobicContact CB-CD1 4.35Å; L73-I78 HydrophobicContact CB-CG1 3.52Å; L73-I78 HydrophobicContact CD1-CG1 4.43Å; L73-I78 WeakPolarHBondContact O-CD1 3.24Å
74	S	81.2	Confident	70	Confident	55 Å²	55	90 Å²	90	39%	0.385	48%	0.482	S	S	.	.			trans	-64.4	163.8	169.9	63.1	0	0	0	0	111.8	E76 E77 I78	S74-E76 PolarHBondContact O-N 2.85Å; S74-E76 VanDerWaalsContact O-N 3.09Å; S74-E77 WeakPolarHBondContact CB-OE2 3.38Å; S74-E77 PolarHBondContact N-OE2 3.1Å; S74-E77 PolarHBondContact O-N 3.03Å; S74-E77 WeakPolarHBondContact OG-CG 3.37Å; S74-E77 PolarHBondContact OG-N 3.09Å; S74-E77 PolarHBondContact OG-OE2 3.22Å; S74-I78 WeakPolarHBondContact O-CG1 3.42Å; S74-I78 PolarHBondContact O-N 2.99Å
75	E	82.2	Confident	71.5	Confident	177 Å²	177	85.9 Å²	85.9	83%	0.827	46%	0.46	S	S	*	.	H	α-helix	trans	-53.8	-32.3	175.6	-171.6	179.3	-179.8	0	0	112.4	A79	E75-A79 VanDerWaalsContact O-CB 3.31Å; E75-A79 WeakPolarHBondContact O-CB 3.3Å; E75-A79 PolarHBondContact O-N 2.78Å; E75-A79 VanDerWaalsContact O-N 3.11Å
76	E	78.3	Confident	73.2	Confident	135 Å²	135	85.7 Å²	85.7	63%	0.631	45%	0.448	S	S	*	.	H	α-helix	trans	-70.2	-45.9	173.4	-175.8	169.1	-175.4	0	0	112.2	S74 A79 I80	S74-E76 PolarHBondContact O-N 2.85Å; S74-E76 VanDerWaalsContact O-N 3.09Å; E76-A79 PolarHBondContact O-N 2.99Å; E76-I80 HydrophobicContact CG-CD1 4.1Å; E76-I80 VanDerWaalsContact O-CG1 3.27Å; E76-I80 WeakPolarHBondContact O-CG1 3.34Å; E76-I80 PolarHBondContact O-N 3.15Å
77	E	81.4	Confident	74.6	Confident	93 Å²	93	84.2 Å²	84.2	44%	0.435	44%	0.436	S	S	.	.	H	α-helix	trans	-68.7	-36.9	178.5	-70.3	160.2	124.8	0	0	112.6	L73 S74 A79 I80 E81	L73-E77 HydrophobicContact CB-CB 3.9Å; L73-E77 HydrophobicContact CD2-CB 3.96Å; L73-E77 HydrophobicContact CG-CB 4.47Å; S74-E77 WeakPolarHBondContact CB-OE2 3.38Å; S74-E77 PolarHBondContact N-OE2 3.1Å; S74-E77 PolarHBondContact O-N 3.03Å; S74-E77 WeakPolarHBondContact OG-CG 3.37Å; S74-E77 PolarHBondContact OG-N 3.09Å; S74-E77 PolarHBondContact OG-OE2 3.22Å; E77-A79 VanDerWaalsContact C-N 3.33Å; E77-I80 PolarHBondContact O-N 2.9Å; E77-E81 PolarHBondContact O-N 3.17Å
78	I	81.9	Confident	76.2	Confident	32 Å²	32	86 Å²	86	16%	0.164	44%	0.436	C	S	.	.	H	α-helix	trans	-62.4	-41.5	171.9	-68.1	175.5	0	0	0	110.7	D70 L73 S74 I80 K82	D70-I78 HydrophobicContact CB-CD1 3.98Å; L73-I78 HydrophobicContact CB-CD1 4.35Å; L73-I78 HydrophobicContact CB-CG1 3.52Å; L73-I78 HydrophobicContact CD1-CG1 4.43Å; L73-I78 WeakPolarHBondContact O-CD1 3.24Å; S74-I78 WeakPolarHBondContact O-CG1 3.42Å; S74-I78 PolarHBondContact O-N 2.99Å; I78-I80 VanDerWaalsContact C-N 3.34Å; I78-K82 HydrophobicContact CG2-CD 3.72Å; I78-K82 WeakPolarHBondContact O-CB 3.26Å; I78-K82 WeakPolarHBondContact O-CG 3.36Å; I78-K82 PolarHBondContact O-N 2.77Å
79	A	86.3	Confident	77.6	Confident	59 Å²	59	88.2 Å²	88.2	49%	0.488	44%	0.439	S	S	.	.	H	α-helix	trans	-68	-34.2	175.6	0	0	0	0	0	112.1	E75 E76 E77 M83	E75-A79 VanDerWaalsContact O-CB 3.31Å; E75-A79 WeakPolarHBondContact O-CB 3.3Å; E75-A79 PolarHBondContact O-N 2.78Å; E75-A79 VanDerWaalsContact O-N 3.11Å; E76-A79 PolarHBondContact O-N 2.99Å; E77-A79 VanDerWaalsContact C-N 3.33Å; A79-M83 VanDerWaalsContact O-CB 3.28Å; A79-M83 WeakPolarHBondContact O-CB 3.44Å; A79-M83 PolarHBondContact O-N 3.2Å
80	I	81.6	Confident	78.9	Confident	37 Å²	37	86.5 Å²	86.5	19%	0.19	43%	0.425	C	S	.	.	H	α-helix	trans	-65.9	-51.5	173	-70.3	162.7	0	0	0	110.5	E76 E77 I78 K82 M83 C84	E76-I80 HydrophobicContact CG-CD1 4.1Å; E76-I80 VanDerWaalsContact O-CG1 3.27Å; E76-I80 WeakPolarHBondContact O-CG1 3.34Å; E76-I80 PolarHBondContact O-N 3.15Å; E77-I80 PolarHBondContact O-N 2.9Å; I78-I80 VanDerWaalsContact C-N 3.34Å; I80-K82 PolarHBondContact O-N 2.97Å; I80-M83 CarbonylContact O-C 3.6Å; I80-M83 WeakPolarHBondContact O-CA 3.46Å; I80-M83 WeakPolarHBondContact O-CB 3.38Å; I80-M83 PolarHBondContact O-N 2.59Å; I80-M83 VanDerWaalsContact O-N 3.08Å; I80-C84 PolarHBondContact O-N 2.9Å; I80-C84 PolarHBondContact O-SG 3.3Å
81	E	81.1	Confident	80.1	Confident	89 Å²	89	90.4 Å²	90.4	42%	0.416	44%	0.441	S	S	.	.	H	α-helix	trans	-66.4	-40.8	-176.8	-172	61.2	-168.8	0	0	112.1	E77 M83 C84 D85 R88	E77-E81 PolarHBondContact O-N 3.17Å; E81-M83 PolarHBondContact O-N 3.29Å; E81-M83 VanDerWaalsContact O-N 3.09Å; E81-C84 WeakPolarHBondContact O-CB 3.47Å; E81-C84 PolarHBondContact O-N 2.78Å; E81-C84 VanDerWaalsContact O-N 3.17Å; E81-D85 WeakPolarHBondContact O-CB 3.39Å; E81-D85 PolarHBondContact O-N 3.31Å; E81-R88 IonicContact OE1-NH1 3.85Å; E81-R88 PolarHBondContact OE1-NH1 3.29Å
82	K	86.4	Confident	81.3	Confident	129 Å²	129	91.2 Å²	91.2	56%	0.561	44%	0.442	S	S	*	.	H	α-helix	trans	-60.6	-22.1	174.5	-74.3	168.9	-176.5	160.2	0	113	D70 I78 I80 F86	D70-K82 IonicContact OD1-NZ 3.39Å; D70-K82 PolarHBondContact OD1-NZ 2.96Å; I78-K82 HydrophobicContact CG2-CD 3.72Å; I78-K82 WeakPolarHBondContact O-CB 3.26Å; I78-K82 WeakPolarHBondContact O-CG 3.36Å; I78-K82 PolarHBondContact O-N 2.77Å; I80-K82 PolarHBondContact O-N 2.97Å; K82-F86 PolarHBondContact O-N 3.34Å
83	M	76.8	Confident	82	Confident	40 Å²	40	91.4 Å²	91.4	20%	0.197	44%	0.443	C	S	.	.	H	α-helix	trans	-92.7	-36.1	176.5	176.9	-170.1	75.8	0	0	112.7	A79 I80 E81 D85 F86 E87 Y402	A79-M83 VanDerWaalsContact O-CB 3.28Å; A79-M83 WeakPolarHBondContact O-CB 3.44Å; A79-M83 PolarHBondContact O-N 3.2Å; I80-M83 CarbonylContact O-C 3.6Å; I80-M83 WeakPolarHBondContact O-CA 3.46Å; I80-M83 WeakPolarHBondContact O-CB 3.38Å; I80-M83 PolarHBondContact O-N 2.59Å; I80-M83 VanDerWaalsContact O-N 3.08Å; E81-M83 PolarHBondContact O-N 3.29Å; E81-M83 VanDerWaalsContact O-N 3.09Å; M83-D85 VanDerWaalsContact C-N 3.25Å; M83-D85 PolarHBondContact O-N 2.89Å; M83-F86 WeakPolarHBondContact O-CB 3.24Å; M83-F86 PolarHBondContact O-N 3.01Å; M83-E87 PolarHBondContact O-N 3.43Å; M83-Y402 HydrophobicContact CE-CD1 4.38Å; M83-Y402 HydrophobicContact CE-CD2 3.76Å; M83-Y402 HydrophobicContact CE-CE1 4.04Å; M83-Y402 HydrophobicContact CE-CE2 3.42Å; M83-Y402 VanDerWaalsContact CE-CE2 3.42Å; M83-Y402 HydrophobicContact CE-CG 4.26Å; M83-Y402 HydrophobicContact SD-CD2 3.79Å; M83-Y402 HydrophobicContact SD-CE2 3.1Å; M83-Y402 WeakPolarHBondContact SD-CE2 3.04Å; M83-Y402 VanDerWaalsContact SD-CZ 3.59Å
84	C	85.1	Confident	82.5	Confident	35 Å²	35	90.7 Å²	90.7	24%	0.236	44%	0.441	C	S	.	.	H	α-helix	trans	-56.7	-42.6	165.8	-67.2	0	0	0	0	110.4	I80 E81 E87 R88	I80-C84 PolarHBondContact O-N 2.9Å; I80-C84 PolarHBondContact O-SG 3.3Å; E81-C84 WeakPolarHBondContact O-CB 3.47Å; E81-C84 PolarHBondContact O-N 2.78Å; E81-C84 VanDerWaalsContact O-N 3.17Å; C84-E87 PolarHBondContact O-N 3.35Å; C84-R88 WeakPolarHBondContact O-CB 3.26Å; C84-R88 PolarHBondContact O-N 2.82Å
85	D	85.9	Confident	82.6	Confident	52 Å²	52	92.7 Å²	92.7	28%	0.278	45%	0.448	S	S	.	.	H	α-helix	trans	-61.7	-44.1	172.4	-91.3	36.5	0	0	0	112.1	E81 M83 E87 R88 Y89	E81-D85 WeakPolarHBondContact O-CB 3.39Å; E81-D85 PolarHBondContact O-N 3.31Å; M83-D85 VanDerWaalsContact C-N 3.25Å; M83-D85 PolarHBondContact O-N 2.89Å; D85-E87 VanDerWaalsContact C-N 3.33Å; D85-E87 PolarHBondContact O-N 2.91Å; D85-R88 PolarHBondContact O-N 3.38Å; D85-R88 IonicContact OD1-CZ 3.65Å; D85-R88 IonicContact OD1-NH1 3.78Å; D85-R88 PolarHBondContact OD1-NH1 3Å; D85-R88 IonicContact OD1-NH2 3.66Å; D85-R88 PolarHBondContact OD1-NH2 3.42Å; D85-R88 IonicContact OD2-NH2 3.1Å; D85-R88 PolarHBondContact OD2-NH2 3.24Å; D85-Y89 HydrophobicContact CB-CD2 4.27Å; D85-Y89 HydrophobicContact CB-CE2 4.31Å; D85-Y89 WeakPolarHBondContact O-CB 3.42Å; D85-Y89 WeakPolarHBondContact O-CD2 3.19Å; D85-Y89 PolarHBondContact O-N 3.29Å
86	F	84.3	Confident	82.5	Confident	88 Å²	88	87.1 Å²	87.1	39%	0.386	43%	0.426	S	S	.	.	H	α-helix	trans	-60.3	-41	176.3	-179	-95.4	0	0	0	112.3	K82 M83 L90	K82-F86 PolarHBondContact O-N 3.34Å; M83-F86 WeakPolarHBondContact O-CB 3.24Å; M83-F86 PolarHBondContact O-N 3.01Å; F86-L90 HydrophobicContact CE1-CD1 4.02Å; F86-L90 HydrophobicContact CZ-CD1 3.97Å; F86-L90 WeakPolarHBondContact O-CA 3.37Å; F86-L90 WeakPolarHBondContact O-CB 3.26Å; F86-L90 PolarHBondContact O-N 3.09Å
87	E	81.6	Confident	82.6	Confident	127 Å²	127	87.3 Å²	87.3	59%	0.593	43%	0.426	S	S	*	.	H	α-helix	trans	-70.1	-46.1	174.3	-172.3	168.5	-172	0	0	111.7	M83 C84 D85 Y89 L90	M83-E87 PolarHBondContact O-N 3.43Å; C84-E87 PolarHBondContact O-N 3.35Å; D85-E87 VanDerWaalsContact C-N 3.33Å; D85-E87 PolarHBondContact O-N 2.91Å; E87-Y89 PolarHBondContact O-N 2.96Å; E87-L90 WeakPolarHBondContact O-CB 3.29Å; E87-L90 PolarHBondContact O-N 2.8Å; E87-L90 VanDerWaalsContact O-N 3.11Å
88	R	85.8	Confident	82.7	Confident	134 Å²	134	86.8 Å²	86.8	51%	0.506	42%	0.424	S	S	.	.	H	α-helix	trans	-59	-30.4	179.3	-173	169.9	79.1	-133.5	1.2	113.2	E81 C84 D85	E81-R88 IonicContact OE1-NH1 3.85Å; E81-R88 PolarHBondContact OE1-NH1 3.29Å; C84-R88 WeakPolarHBondContact O-CB 3.26Å; C84-R88 PolarHBondContact O-N 2.82Å; D85-R88 PolarHBondContact O-N 3.38Å; D85-R88 IonicContact OD1-CZ 3.65Å; D85-R88 IonicContact OD1-NH1 3.78Å; D85-R88 PolarHBondContact OD1-NH1 3Å; D85-R88 IonicContact OD1-NH2 3.66Å; D85-R88 PolarHBondContact OD1-NH2 3.42Å; D85-R88 IonicContact OD2-NH2 3.1Å; D85-R88 PolarHBondContact OD2-NH2 3.24Å
89	Y	87.1	Confident	82.6	Confident	87 Å²	87	89.6 Å²	89.6	34%	0.341	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	8.2	178.5	-59	-57.2	0	0	0	114	D85 E87 E91 M92 Q93	D85-Y89 HydrophobicContact CB-CD2 4.27Å; D85-Y89 HydrophobicContact CB-CE2 4.31Å; D85-Y89 WeakPolarHBondContact O-CB 3.42Å; D85-Y89 WeakPolarHBondContact O-CD2 3.19Å; D85-Y89 PolarHBondContact O-N 3.29Å; E87-Y89 PolarHBondContact O-N 2.96Å; Y89-E91 PolarHBondContact O-N 3.47Å; Y89-M92 HydrophobicContact CD1-CE 3.65Å; Y89-M92 HydrophobicContact CD1-SD 4.46Å; Y89-M92 HydrophobicContact CE1-CE 4.4Å; Y89-M92 HydrophobicContact CG-CE 4.07Å; Y89-M92 WeakPolarHBondContact O-CB 3.43Å; Y89-M92 PolarHBondContact O-N 3.27Å; Y89-M92 VanDerWaalsContact O-N 3.1Å; Y89-Q93 PolarHBondContact O-N 3.29Å
90	L	80.3	Confident	82.6	Confident	48 Å²	48	89.6 Å²	89.6	25%	0.251	44%	0.439	S	S	.	.	H	α-helix	trans	-58	-52.5	-177.2	-177.6	61	0	0	0	111.6	F86 E87 M92 Q93 V94 V96	F86-L90 HydrophobicContact CE1-CD1 4.02Å; F86-L90 HydrophobicContact CZ-CD1 3.97Å; F86-L90 WeakPolarHBondContact O-CA 3.37Å; F86-L90 WeakPolarHBondContact O-CB 3.26Å; F86-L90 PolarHBondContact O-N 3.09Å; E87-L90 WeakPolarHBondContact O-CB 3.29Å; E87-L90 PolarHBondContact O-N 2.8Å; E87-L90 VanDerWaalsContact O-N 3.11Å; L90-M92 PolarHBondContact O-N 2.85Å; L90-Q93 PolarHBondContact O-N 2.71Å; L90-V94 HydrophobicContact CD1-CB 4.36Å; L90-V94 HydrophobicContact CD1-CG2 4.36Å; L90-V94 WeakPolarHBondContact O-CB 3.28Å; L90-V94 PolarHBondContact O-N 2.76Å; L90-V96 HydrophobicContact CD2-CG2 4.28Å; L90-V96 HydrophobicContact CG-CG2 4.07Å
91	E	82.4	Confident	82.6	Confident	163 Å²	163	91.7 Å²	91.7	76%	0.762	45%	0.449	S	S	*	.	H	α-helix	trans	-67.1	-14.2	179.4	-63.6	-170.4	166.1	0	0	113.7	Y89 V94 V96	Y89-E91 PolarHBondContact O-N 3.47Å; E91-V94 WeakPolarHBondContact CA-O 3.29Å; E91-V96 HydrophobicContact CG-CG2 4.02Å
92	M	84.7	Confident	82.7	Confident	148 Å²	148	92 Å²	92	73%	0.729	45%	0.451	S	S	*	.	H	α-helix	trans	-88.6	-30.8	175	-172.1	177.8	71.3	0	0	112.3	Y89 L90	Y89-M92 HydrophobicContact CD1-CE 3.65Å; Y89-M92 HydrophobicContact CD1-SD 4.46Å; Y89-M92 HydrophobicContact CE1-CE 4.4Å; Y89-M92 HydrophobicContact CG-CE 4.07Å; Y89-M92 WeakPolarHBondContact O-CB 3.43Å; Y89-M92 PolarHBondContact O-N 3.27Å; Y89-M92 VanDerWaalsContact O-N 3.1Å; L90-M92 PolarHBondContact O-N 2.85Å
93	Q	80.1	Confident	82.6	Confident	126 Å²	126	90.4 Å²	90.4	59%	0.589	45%	0.449	S	S	*	.	H	α-helix	trans	-90	-28.2	177.6	-64.9	179.6	45.5	0	0	112.5	Y89 L90	Y89-Q93 PolarHBondContact O-N 3.29Å; L90-Q93 PolarHBondContact O-N 2.71Å
94	V	78.9	Confident	82.9	Confident	50 Å²	50	93.4 Å²	93.4	30%	0.303	46%	0.462	S	S	.	.	S	Bend	trans	-138.8	121.8	-171.3	179.1	0	0	0	0	108.8	L90 E91 V96 L99	L90-V94 HydrophobicContact CD1-CB 4.36Å; L90-V94 HydrophobicContact CD1-CG2 4.36Å; L90-V94 WeakPolarHBondContact O-CB 3.28Å; L90-V94 PolarHBondContact O-N 2.76Å; E91-V94 WeakPolarHBondContact CA-O 3.29Å; V94-V96 PolarHBondContact O-N 3.25Å; V94-L99 HydrophobicContact CG1-CD1 3.31Å; V94-L99 HydrophobicContact CG1-CG 3.95Å
95	D	82.6	Confident	82.7	Confident	98 Å²	98	96 Å²	96	52%	0.524	47%	0.471	S	S	.	.			trans	-70.9	95.6	167.9	-172.6	-24.9	0	0	0	109.2	H97 E98 L99	D95-H97 PolarHBondContact O-N 2.95Å; D95-H97 WeakPolarHBondContact OD1-CA 3.38Å; D95-H97 VanDerWaalsContact OD1-CB 3.31Å; D95-H97 WeakPolarHBondContact OD1-CB 3.34Å; D95-H97 PolarHBondContact OD1-N 2.65Å; D95-E98 HydrophobicContact CB-CB 3.88Å; D95-E98 VanDerWaalsContact CG-CB 3.49Å; D95-E98 PolarHBondContact O-N 3.3Å; D95-E98 PolarHBondContact OD1-N 2.72Å; D95-L99 PolarHBondContact O-N 3.21Å
96	V	80.1	Confident	82.8	Confident	60 Å²	60	95.6 Å²	95.6	36%	0.364	47%	0.474	S	S	.	.	H	α-helix	trans	-64.2	-26.6	179.7	-178.9	0	0	0	0	111.2	L90 E91 V94 A100	L90-V96 HydrophobicContact CD2-CG2 4.28Å; L90-V96 HydrophobicContact CG-CG2 4.07Å; E91-V96 HydrophobicContact CG-CG2 4.02Å; V94-V96 PolarHBondContact O-N 3.25Å; V96-A100 VanDerWaalsContact O-CB 3.28Å; V96-A100 WeakPolarHBondContact O-CB 3.3Å; V96-A100 PolarHBondContact O-N 3.2Å
97	H	80.5	Confident	82.8	Confident	139 Å²	139	97.9 Å²	97.9	64%	0.644	48%	0.48	S	S	*	.	H	α-helix	trans	-74.7	-47	177.2	-169.6	64.2	0	0	0	111.2	D95 A100 I101	D95-H97 PolarHBondContact O-N 2.95Å; D95-H97 WeakPolarHBondContact OD1-CA 3.38Å; D95-H97 VanDerWaalsContact OD1-CB 3.31Å; D95-H97 WeakPolarHBondContact OD1-CB 3.34Å; D95-H97 PolarHBondContact OD1-N 2.65Å; H97-A100 PolarHBondContact O-N 2.96Å; H97-I101 WeakPolarHBondContact O-CG1 3.31Å; H97-I101 PolarHBondContact O-N 2.87Å
98	E	82.5	Confident	83	Confident	81 Å²	81	97.3 Å²	97.3	38%	0.379	48%	0.476	S	S	.	.	H	α-helix	trans	-63.4	-41.4	174.6	179	57.4	-155.8	0	0	111.3	D95 A100 I101 Q102	D95-E98 HydrophobicContact CB-CB 3.88Å; D95-E98 VanDerWaalsContact CG-CB 3.49Å; D95-E98 PolarHBondContact O-N 3.3Å; D95-E98 PolarHBondContact OD1-N 2.72Å; E98-A100 PolarHBondContact O-N 3.39Å; E98-I101 PolarHBondContact O-N 3.24Å; E98-Q102 WeakPolarHBondContact O-CB 3.47Å; E98-Q102 WeakPolarHBondContact O-CG 3.5Å; E98-Q102 PolarHBondContact O-N 2.94Å; E98-Q102 WeakPolarHBondContact OE1-CG 3.24Å; E98-Q102 PolarHBondContact OE1-NE2 2.62Å
99	L	81.4	Confident	82.7	Confident	92 Å²	92	95.7 Å²	95.7	48%	0.482	47%	0.47	S	S	.	.	H	α-helix	trans	-60.3	-44.2	171.1	-79.6	-168.4	0	0	0	112.1	V94 D95 I101 Q102 D103	V94-L99 HydrophobicContact CG1-CD1 3.31Å; V94-L99 HydrophobicContact CG1-CG 3.95Å; D95-L99 PolarHBondContact O-N 3.21Å; L99-I101 VanDerWaalsContact C-N 3.29Å; L99-I101 PolarHBondContact O-N 2.76Å; L99-Q102 PolarHBondContact O-N 3.44Å; L99-D103 VanDerWaalsContact O-CB 3.28Å; L99-D103 WeakPolarHBondContact O-CB 3.31Å; L99-D103 PolarHBondContact O-N 2.9Å
100	A	84.6	Confident	82.3	Confident	58 Å²	58	96 Å²	96	48%	0.479	48%	0.475	S	S	.	.	H	α-helix	trans	-63.7	-33.9	177.5	0	0	0	0	0	112.7	V96 H97 E98 E104	V96-A100 VanDerWaalsContact O-CB 3.28Å; V96-A100 WeakPolarHBondContact O-CB 3.3Å; V96-A100 PolarHBondContact O-N 3.2Å; H97-A100 PolarHBondContact O-N 2.96Å; E98-A100 PolarHBondContact O-N 3.39Å; A100-E104 PolarHBondContact O-N 3.29Å; A100-E104 VanDerWaalsContact O-N 3.09Å
101	I	82.5	Confident	82.4	Confident	81 Å²	81	96.5 Å²	96.5	42%	0.415	49%	0.485	S	S	.	.	H	α-helix	trans	-66.5	-49.2	172	-71.3	165.2	0	0	0	110.5	H97 E98 L99 D103 E104 E105	H97-I101 WeakPolarHBondContact O-CG1 3.31Å; H97-I101 PolarHBondContact O-N 2.87Å; E98-I101 PolarHBondContact O-N 3.24Å; L99-I101 VanDerWaalsContact C-N 3.29Å; L99-I101 PolarHBondContact O-N 2.76Å; I101-D103 VanDerWaalsContact C-N 3.29Å; I101-D103 PolarHBondContact O-N 2.63Å; I101-E104 PolarHBondContact O-N 3Å; I101-E105 VanDerWaalsContact O-CB 3.28Å; I101-E105 WeakPolarHBondContact O-CB 3.4Å; I101-E105 PolarHBondContact O-N 3.25Å
102	Q	83.9	Confident	82.1	Confident	95 Å²	95	93.9 Å²	93.9	44%	0.444	47%	0.473	S	S	.	.	H	α-helix	trans	-62.1	-36.6	178.6	-71.7	179.6	20.7	0	0	112	E98 L99 E105 A106	E98-Q102 WeakPolarHBondContact O-CB 3.47Å; E98-Q102 WeakPolarHBondContact O-CG 3.5Å; E98-Q102 PolarHBondContact O-N 2.94Å; E98-Q102 WeakPolarHBondContact OE1-CG 3.24Å; E98-Q102 PolarHBondContact OE1-NE2 2.62Å; L99-Q102 PolarHBondContact O-N 3.44Å; Q102-E105 PolarHBondContact O-N 3.21Å; Q102-A106 WeakPolarHBondContact O-CB 3.44Å; Q102-A106 PolarHBondContact O-N 3.14Å
103	D	83.8	Confident	81.5	Confident	97 Å²	97	94 Å²	94	52%	0.519	47%	0.465	S	S	.	.	H	α-helix	trans	-72.7	-38.7	179.8	-149.4	58.9	0	0	0	112.1	L99 I101 R107	L99-D103 VanDerWaalsContact O-CB 3.28Å; L99-D103 WeakPolarHBondContact O-CB 3.31Å; L99-D103 PolarHBondContact O-N 2.9Å; I101-D103 VanDerWaalsContact C-N 3.29Å; I101-D103 PolarHBondContact O-N 2.63Å; D103-R107 WeakPolarHBondContact O-CB 3.27Å; D103-R107 PolarHBondContact O-N 2.77Å; D103-R107 IonicContact OD2-NH2 2.67Å; D103-R107 PolarHBondContact OD2-NH2 3.06Å
104	E	83.1	Confident	81.1	Confident	102 Å²	102	92.7 Å²	92.7	48%	0.477	47%	0.47	S	S	.	.	H	α-helix	trans	-70.5	-35.8	170.9	-178.1	58.9	-152.9	0	0	111.9	A100 I101 R107 K108	A100-E104 PolarHBondContact O-N 3.29Å; A100-E104 VanDerWaalsContact O-N 3.09Å; I101-E104 PolarHBondContact O-N 3Å; E104-R107 PolarHBondContact O-N 2.86Å; E104-R107 WeakPolarHBondContact OE2-CD 3.48Å; E104-R107 IonicContact OE2-CZ 2.73Å; E104-R107 IonicContact OE2-NE 3.2Å; E104-R107 IonicContact OE2-NH1 3.51Å; E104-R107 PolarHBondContact OE2-NH1 3.42Å; E104-K108 VanDerWaalsContact O-CB 3.26Å; E104-K108 WeakPolarHBondContact O-CB 3.46Å; E104-K108 PolarHBondContact O-N 2.83Å
105	E	81.7	Confident	80.6	Confident	91 Å²	91	99.7 Å²	99.7	43%	0.425	49%	0.491	S	S	.	.	H	α-helix	trans	-71.4	-35.9	176.3	-157.5	-116.6	177.3	0	0	111.8	I101 Q102 R109	I101-E105 VanDerWaalsContact O-CB 3.28Å; I101-E105 WeakPolarHBondContact O-CB 3.4Å; I101-E105 PolarHBondContact O-N 3.25Å; Q102-E105 PolarHBondContact O-N 3.21Å; E105-R109 WeakPolarHBondContact O-CB 3.01Å; E105-R109 PolarHBondContact O-N 3.46Å; E105-R109 IonicContact OE1-CZ 2.77Å; E105-R109 IonicContact OE1-NH1 3.9Å; E105-R109 IonicContact OE1-NH2 2.62Å; E105-R109 PolarHBondContact OE1-NH2 2.95Å; E105-R109 IonicContact OE2-CZ 3.14Å; E105-R109 IonicContact OE2-NH1 2.69Å; E105-R109 PolarHBondContact OE2-NH1 3.15Å; E105-R109 IonicContact OE2-NH2 3.6Å; E105-R109 PolarHBondContact OE2-NH2 2.94Å
106	A	87.7	Confident	79.3	Confident	42 Å²	42	100.1 Å²	100.1	35%	0.347	49%	0.493	S	S	.	.	H	α-helix	trans	-65.4	-44.3	169.2	0	0	0	0	0	111.8	Q102 K108 R109 E110	Q102-A106 WeakPolarHBondContact O-CB 3.44Å; Q102-A106 PolarHBondContact O-N 3.14Å; A106-K108 VanDerWaalsContact C-N 3.35Å; A106-K108 PolarHBondContact O-N 3.4Å; A106-R109 WeakPolarHBondContact O-CB 3.45Å; A106-R109 PolarHBondContact O-N 3.01Å; A106-E110 WeakPolarHBondContact O-CB 3.45Å; A106-E110 PolarHBondContact O-N 2.76Å
107	R	82.9	Confident	78.2	Confident	137 Å²	137	105.8 Å²	105.8	52%	0.517	52%	0.521	S	S	.	.	H	α-helix	trans	-60.8	-41.6	174.7	-173.5	-177.4	-54	152.5	5	112.1	D103 E104 E110 A111	D103-R107 WeakPolarHBondContact O-CB 3.27Å; D103-R107 PolarHBondContact O-N 2.77Å; D103-R107 IonicContact OD2-NH2 2.67Å; D103-R107 PolarHBondContact OD2-NH2 3.06Å; E104-R107 PolarHBondContact O-N 2.86Å; E104-R107 WeakPolarHBondContact OE2-CD 3.48Å; E104-R107 IonicContact OE2-CZ 2.73Å; E104-R107 IonicContact OE2-NE 3.2Å; E104-R107 IonicContact OE2-NH1 3.51Å; E104-R107 PolarHBondContact OE2-NH1 3.42Å; R107-E110 PolarHBondContact O-N 3.47Å; R107-A111 WeakPolarHBondContact O-CB 3.42Å; R107-A111 PolarHBondContact O-N 3.36Å
108	K	85.9	Confident	77.5	Confident	115 Å²	115	109.2 Å²	109.2	50%	0.5	53%	0.53	S	S	.	.	H	α-helix	trans	-63.8	-47.7	172.5	179.1	-173	169.6	-163.8	0	111.6	E104 A106 E110 A111 E112	E104-K108 VanDerWaalsContact O-CB 3.26Å; E104-K108 WeakPolarHBondContact O-CB 3.46Å; E104-K108 PolarHBondContact O-N 2.83Å; A106-K108 VanDerWaalsContact C-N 3.35Å; A106-K108 PolarHBondContact O-N 3.4Å; K108-E110 VanDerWaalsContact C-N 3.31Å; K108-E110 PolarHBondContact O-N 2.91Å; K108-A111 CarbonylContact O-C 3.58Å; K108-A111 PolarHBondContact O-N 3.46Å; K108-E112 WeakPolarHBondContact CE-OE1 3.41Å; K108-E112 WeakPolarHBondContact O-CB 3.4Å; K108-E112 WeakPolarHBondContact O-CG 3.45Å; K108-E112 PolarHBondContact O-N 3.17Å
109	R	79.2	Confident	76.5	Confident	100 Å²	100	107.8 Å²	107.8	38%	0.377	54%	0.537	S	S	.	.	H	α-helix	trans	-58.8	-40.2	176.1	178.6	-175.4	-72.3	110.7	-2.2	111.9	E105 A106 E112 R113	E105-R109 WeakPolarHBondContact O-CB 3.01Å; E105-R109 PolarHBondContact O-N 3.46Å; E105-R109 IonicContact OE1-CZ 2.77Å; E105-R109 IonicContact OE1-NH1 3.9Å; E105-R109 IonicContact OE1-NH2 2.62Å; E105-R109 PolarHBondContact OE1-NH2 2.95Å; E105-R109 IonicContact OE2-CZ 3.14Å; E105-R109 IonicContact OE2-NH1 2.69Å; E105-R109 PolarHBondContact OE2-NH1 3.15Å; E105-R109 IonicContact OE2-NH2 3.6Å; E105-R109 PolarHBondContact OE2-NH2 2.94Å; A106-R109 WeakPolarHBondContact O-CB 3.45Å; A106-R109 PolarHBondContact O-N 3.01Å; R109-E112 PolarHBondContact O-N 3.34Å; R109-R113 VanDerWaalsContact O-CG 3.29Å; R109-R113 WeakPolarHBondContact O-CG 3.29Å; R109-R113 PolarHBondContact O-N 2.92Å
110	E	80.5	Confident	75.6	Confident	94 Å²	94	107.9 Å²	107.9	44%	0.439	55%	0.551	S	S	.	*	H	α-helix	trans	-72.3	-36.5	176.7	-161.2	62.9	-164.3	0	0	112.3	A106 R107 K108 R113 S114	A106-E110 WeakPolarHBondContact O-CB 3.45Å; A106-E110 PolarHBondContact O-N 2.76Å; R107-E110 PolarHBondContact O-N 3.47Å; K108-E110 VanDerWaalsContact C-N 3.31Å; K108-E110 PolarHBondContact O-N 2.91Å; E110-R113 WeakPolarHBondContact OE2-CD 3.32Å; E110-R113 IonicContact OE2-CZ 3.59Å; E110-R113 IonicContact OE2-NE 3.77Å; E110-R113 IonicContact OE2-NH1 2.66Å; E110-R113 PolarHBondContact OE2-NH1 2.72Å; E110-S114 VanDerWaalsContact O-CB 3.25Å; E110-S114 WeakPolarHBondContact O-CB 3.42Å; E110-S114 PolarHBondContact O-N 2.92Å; E110-S114 PolarHBondContact O-OG 3.03Å
111	A	82	Confident	74.4	Confident	57 Å²	57	109.8 Å²	109.8	47%	0.471	56%	0.556	S	S	.	*	H	α-helix	trans	-67	-34.6	171.3	0	0	0	0	0	112.5	R107 K108 R115	R107-A111 WeakPolarHBondContact O-CB 3.42Å; R107-A111 PolarHBondContact O-N 3.36Å; K108-A111 CarbonylContact O-C 3.58Å; K108-A111 PolarHBondContact O-N 3.46Å; A111-R115 WeakPolarHBondContact O-CB 3.4Å; A111-R115 PolarHBondContact O-N 3.26Å; A111-R115 VanDerWaalsContact O-N 3.15Å
112	E	74.8	Confident	73.4	Confident	108 Å²	108	111.4 Å²	111.4	51%	0.505	58%	0.575	S	S	.	*	H	α-helix	trans	-71.2	-45.1	175.2	-75.5	174.5	-170.8	0	0	111.5	K108 R109 S114 R115 N116	K108-E112 WeakPolarHBondContact CE-OE1 3.41Å; K108-E112 WeakPolarHBondContact O-CB 3.4Å; K108-E112 WeakPolarHBondContact O-CG 3.45Å; K108-E112 PolarHBondContact O-N 3.17Å; R109-E112 PolarHBondContact O-N 3.34Å; E112-S114 VanDerWaalsContact C-N 3.32Å; E112-S114 PolarHBondContact O-N 3.35Å; E112-R115 PolarHBondContact O-N 2.84Å; E112-R115 VanDerWaalsContact O-N 3.1Å; E112-N116 PolarHBondContact O-N 3.32Å
113	R	73.9	Confident	72.5	Confident	152 Å²	152	114.3 Å²	114.3	57%	0.574	59%	0.587	S	S	*	*	H	α-helix	trans	-52.9	-48.3	168.1	-75.2	166.4	173.4	173.8	-1.6	111.7	R109 E110 R115	R109-R113 VanDerWaalsContact O-CG 3.29Å; R109-R113 WeakPolarHBondContact O-CG 3.29Å; R109-R113 PolarHBondContact O-N 2.92Å; E110-R113 WeakPolarHBondContact OE2-CD 3.32Å; E110-R113 IonicContact OE2-CZ 3.59Å; E110-R113 IonicContact OE2-NE 3.77Å; E110-R113 IonicContact OE2-NH1 2.66Å; E110-R113 PolarHBondContact OE2-NH1 2.72Å; R113-R115 PolarHBondContact O-N 2.97Å
114	S	70.6	Confident	71.5	Confident	97 Å²	97	113.9 Å²	113.9	68%	0.678	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-13.9	-179.9	-61.7	0	0	0	0	114.2	E110 E112	E110-S114 VanDerWaalsContact O-CB 3.25Å; E110-S114 WeakPolarHBondContact O-CB 3.42Å; E110-S114 PolarHBondContact O-N 2.92Å; E110-S114 PolarHBondContact O-OG 3.03Å; E112-S114 VanDerWaalsContact C-N 3.32Å; E112-S114 PolarHBondContact O-N 3.35Å
115	R	68.5	Low	70.6	Confident	198 Å²	198	119.1 Å²	119.1	75%	0.747	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	-25.5	-173.2	-175.3	172	-178.9	-179.5	-1	113.6	A111 E112 R113	A111-R115 WeakPolarHBondContact O-CB 3.4Å; A111-R115 PolarHBondContact O-N 3.26Å; A111-R115 VanDerWaalsContact O-N 3.15Å; E112-R115 PolarHBondContact O-N 2.84Å; E112-R115 VanDerWaalsContact O-N 3.1Å; R113-R115 PolarHBondContact O-N 2.97Å
116	N	55.8	Low	69.5	Low	106 Å²	106	122.2 Å²	122.2	57%	0.567	63%	0.627	S	S	*	*			trans	-141.3	120.8	176.8	-70.9	-45.4	0	0	0	111.1	E112 Y118 G119	E112-N116 PolarHBondContact O-N 3.32Å; N116-Y118 PolarHBondContact O-N 2.81Å; N116-G119 PolarHBondContact O-N 3.21Å; N116-G119 VanDerWaalsContact O-N 3.1Å
117	D	57.6	Low	67.7	Low	179 Å²	179	127.3 Å²	127.3	96%	0.957	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	18.3	172	-149.5	26.5	0	0	0	113.3
118	Y	64.2	Low	65.9	Low	211 Å²	211	128.1 Å²	128.1	83%	0.827	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.7	24.1	-179.5	-148.6	-99.4	0	0	0	110.3	N116 A120	N116-Y118 PolarHBondContact O-N 2.81Å; Y118-A120 PolarHBondContact O-N 3.29Å
119	G	61.1	Low	63.6	Low	52 Å²	52	129.1 Å²	129.1	54%	0.536	67%	0.674	S	S	.	*			trans	-87.8	11.7	-165.9	0	0	0	0	0	117	N116	N116-G119 PolarHBondContact O-N 3.21Å; N116-G119 VanDerWaalsContact O-N 3.1Å
120	A	63.7	Low	61.9	Low	93 Å²	93	129.5 Å²	129.5	77%	0.769	69%	0.692	S	S	*	*			trans	-158.2	111.4	172.3	0	0	0	0	0	111.9	Y118	Y118-A120 PolarHBondContact O-N 3.29Å
121	V	60.2	Low	60.1	Low	98 Å²	98	133 Å²	133	59%	0.594	71%	0.709	S	S	*	*			trans	-98.3	116.3	160.4	-179.4	0	0	0	0	106.9
122	S	61.3	Low	57.9	Low	115 Å²	115	141.1 Å²	141.1	80%	0.804	73%	0.727	S	S	*	*			trans	-77.1	131	176.1	-168.8	0	0	0	0	110.1
123	F	64.8	Low	55.7	Low	157 Å²	157	144.1 Å²	144.1	69%	0.689	75%	0.747	S	S	*	*			trans	-101.4	103.9	175	-63.1	-80.7	0	0	0	109.7	Y125	F123-Y125 HydrophobicContact CB-CE2 4.08Å
124	S	63	Low	53.8	Low	88 Å²	88	140 Å²	140	62%	0.615	75%	0.751	S	S	*	*			trans	-88.4	109.1	172.8	49	0	0	0	0	110.6	D126	S124-D126 PolarHBondContact O-N 3.04Å
125	Y	63.3	Low	52.2	Low	212 Å²	212	143.6 Å²	143.6	83%	0.831	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	4.6	178.2	-71.4	-85	0	0	0	114.3	F123	F123-Y125 HydrophobicContact CB-CE2 4.08Å
126	D	58.4	Low	50.4	Low	155 Å²	155	143 Å²	143	83%	0.829	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	-2.7	-170	-126.8	-7.5	0	0	0	114.2	S124	S124-D126 PolarHBondContact O-N 3.04Å
127	E	50.6	Low	49.1	Very low	150 Å²	150	142.8 Å²	142.8	70%	0.701	78%	0.776	S	S	*	*	S	Bend	trans	-86.2	127.7	170.5	-69.7	-163.9	145.7	0	0	111.1
128	N	44.1	Very low	48	Very low	153 Å²	153	145.2 Å²	145.2	82%	0.818	77%	0.773	S	S	*	*			trans	89	41	166.2	-46.3	-55.9	0	0	0	119.2
129	V	38.8	Very low	46.5	Very low	136 Å²	136	140.1 Å²	140.1	82%	0.824	76%	0.763	S	S	*	*			trans	-115.9	50.2	161.1	-162.3	0	0	0	0	112.8
130	S	42	Very low	45	Very low	109 Å²	109	144.7 Å²	144.7	76%	0.762	78%	0.776	S	S	*	*			trans	-173	98.3	158.6	-90.6	0	0	0	0	113.8
131	Q	43.8	Very low	43.5	Very low	168 Å²	168	149.5 Å²	149.5	79%	0.785	78%	0.779	S	S	*	*				171.9	120.7	110.6	-91.3	-177.9	46	0	0	114
132	R	35	Very low	41.9	Very low	226 Å²	226	147.5 Å²	147.5	85%	0.853	78%	0.779	S	S	*	*			trans	58.8	111.1	137.2	-60.9	179.7	178.5	-168.8	-0.2	120.3
133	N	30	Very low	40.4	Very low	172 Å²	172	146.1 Å²	146.1	92%	0.92	77%	0.769	S	S	*	*			trans	-38.9	141.1	153.1	-42.2	-27.1	0	0	0	113.3
134	G	33.8	Very low	38.7	Very low	65 Å²	65	144.3 Å²	144.3	67%	0.67	77%	0.771	S	S	*	*			trans	-175.8	105.5	170.9	0	0	0	0	0	113.3
135	D	35.6	Very low	37.3	Very low	172 Å²	172	147.2 Å²	147.2	92%	0.92	77%	0.774	S	S	*	*			trans	62.6	170.2	157.9	-53.2	-22.5	0	0	0	120.2
136	E	32.4	Very low	35.8	Very low	185 Å²	185	145.8 Å²	145.8	86%	0.864	78%	0.776	S	S	*	*			trans	-97.7	169.6	-159.2	-57.6	-170.6	137.1	0	0	114.7
137	S	28.2	Very low	34.5	Very low	103 Å²	103	144.3 Å²	144.3	72%	0.72	76%	0.763	S	S	*	*			trans	67.7	90.5	161.7	70.4	0	0	0	0	118
138	Y	33.6	Very low	34	Very low	230 Å²	230	141.9 Å²	141.9	90%	0.902	76%	0.763	S	S	*	*			trans	-138.8	84.6	137.9	-111.9	-77.8	0	0	0	112.8
139	V	33.7	Very low	34.4	Very low	103 Å²	103	140.3 Å²	140.3	62%	0.624	75%	0.751	S	S	*	*				53.7	105.3	130	-177.1	0	0	0	0	118.5	K141	V139-K141 HydrophobicContact CG1-CG 4.46Å; V139-K141 PolarHBondContact O-N 3.46Å; V139-K141 VanDerWaalsContact O-N 3.14Å
140	N	28.7	Very low	35.5	Very low	149 Å²	149	140.1 Å²	140.1	80%	0.797	74%	0.741	S	S	*	*			trans	-48.4	106.7	153.3	-175.2	3.6	0	0	0	112.1
141	K	31.7	Very low	37	Very low	194 Å²	194	139.3 Å²	139.3	84%	0.843	73%	0.733	S	S	*	*			trans	-107.5	105.1	157.7	-81.6	-170.5	175.7	-176.5	0	107.6	V139	V139-K141 HydrophobicContact CG1-CG 4.46Å; V139-K141 PolarHBondContact O-N 3.46Å; V139-K141 VanDerWaalsContact O-N 3.14Å
142	G	26.7	Very low	38.5	Very low	56 Å²	56	132.1 Å²	132.1	58%	0.577	70%	0.699	S	S	*	*			cis	90.5	18	6.8	0	0	0	0	0	114.1
143	S	30.9	Very low	40.2	Very low	85 Å²	85	127.1 Å²	127.1	59%	0.594	69%	0.689	S	S	*	*			trans	-127	111	153	48.4	0	0	0	0	105.7
144	T	29	Very low	42	Very low	119 Å²	119	119.4 Å²	119.4	73%	0.73	65%	0.649	S	S	*	*			cis	57.6	32.2	46.7	-32.7	0	0	0	0	111.6	Q146	T144-Q146 VanDerWaalsContact C-N 3.29Å; T144-Q146 PolarHBondContact O-N 3.01Å
145	E	32.1	Very low	43.7	Very low	149 Å²	149	117.9 Å²	117.9	70%	0.696	63%	0.627	S	S	*	*			trans	-65.7	97.1	155	-71.2	-174.1	171.4	0	0	107.9	H147	E145-H147 HydrophobicContact CB-CB 4.46Å; E145-H147 PolarHBondContact O-N 3.27Å; E145-H147 IonicContact OE2-CD2 3.82Å
146	Q	31.9	Very low	45.1	Very low	183 Å²	183	114.2 Å²	114.2	86%	0.855	61%	0.612	S	S	*	*			trans	-68	67.9	163.2	-70	-174.3	-21.1	0	0	108.5	T144 S148	T144-Q146 VanDerWaalsContact C-N 3.29Å; T144-Q146 PolarHBondContact O-N 3.01Å; Q146-S148 PolarHBondContact O-N 3.4Å
147	H	33	Very low	46.6	Very low	123 Å²	123	110.3 Å²	110.3	57%	0.569	59%	0.594	S	S	*	*			trans	-79.3	62.1	-177.2	-135	-45.4	0	0	0	109.2	E145 E149 K172	E145-H147 HydrophobicContact CB-CB 4.46Å; E145-H147 PolarHBondContact O-N 3.27Å; E145-H147 IonicContact OE2-CD2 3.82Å; H147-E149 PolarHBondContact O-N 2.91Å; H147-K172 PolarHBondContact O-NZ 3.31Å
148	S	39.5	Very low	48.6	Very low	99 Å²	99	105.4 Å²	105.4	69%	0.692	56%	0.56	S	S	*	*			trans	17.8	84.6	-179.6	59.1	0	0	0	0	113.2	Q146 E150	Q146-S148 PolarHBondContact O-N 3.4Å; S148-E150 PolarHBondContact O-N 3.05Å
149	E	52.1	Low	49.9	Very low	120 Å²	120	100 Å²	100	56%	0.561	54%	0.543	S	S	*	.			trans	-70.5	90	170.5	-59.1	-142.6	105.5	0	0	108.1	H147 P151 S170	H147-E149 PolarHBondContact O-N 2.91Å; E149-P151 WeakPolarHBondContact O-CD 3.44Å; E149-S170 VanDerWaalsContact CD-CB 3.48Å; E149-S170 WeakPolarHBondContact OE1-CB 3.25Å; E149-S170 PolarHBondContact OE1-OG 2.74Å
150	E	62.2	Low	51.3	Low	132 Å²	132	103.5 Å²	103.5	62%	0.617	55%	0.552	S	S	*	*			trans	-58	121	173.6	-167.9	168.8	-168.8	0	0	107.6	S148 Y152 D171	S148-E150 PolarHBondContact O-N 3.05Å; E150-Y152 PolarHBondContact O-N 3Å; E150-D171 PolarHBondContact O-N 3.01Å
151	P	74.1	Confident	52.9	Low	93 Å²	93	99.5 Å²	99.5	60%	0.604	53%	0.53	S	S	*	.	B	Isolated β-bridge	trans	-56.2	135.2	-175.9	-27.1	35.2	0	0	0	110	E149 N153	E149-P151 WeakPolarHBondContact O-CD 3.44Å; P151-N153 PolarHBondContact O-N 3.41Å; P151-N153 PolarHBondContact O-ND2 3.48Å
152	Y	75.3	Confident	54.4	Low	17 Å²	17	90.4 Å²	90.4	7%	0.067	49%	0.491	C	S	.	.			trans	-61.4	100.1	-172.9	172.5	-122.2	0	0	0	111.7	E150 C154 L167 P168 A174 E178 F217	E150-Y152 PolarHBondContact O-N 3Å; Y152-C154 VanDerWaalsContact C-N 3.25Å; Y152-C154 HydrophobicContact CD1-CB 4.29Å; Y152-C154 HydrophobicContact CE1-CB 3.86Å; Y152-C154 PolarHBondContact O-N 2.91Å; Y152-L167 HydrophobicContact CD1-CB 4.35Å; Y152-L167 HydrophobicContact CD1-CD2 4.32Å; Y152-L167 HydrophobicContact CD1-CG 4.49Å; Y152-P168 WeakPolarHBondContact CB-O 3.41Å; Y152-P168 HydrophobicContact CD1-CB 4.45Å; Y152-P168 HydrophobicContact CD1-CG 4.32Å; Y152-P168 HydrophobicContact CE1-CG 4.47Å; Y152-A174 HydrophobicContact CD1-CB 4.19Å; Y152-A174 HydrophobicContact CD2-CB 3.32Å; Y152-A174 HydrophobicContact CE1-CB 4.23Å; Y152-A174 HydrophobicContact CE2-CB 3.36Å; Y152-A174 HydrophobicContact CG-CB 3.73Å; Y152-E178 PolarHBondContact OH-OE1 2.9Å; Y152-F217 HydrophobicContact CE1-CE2 4.25Å; Y152-F217 HydrophobicContact CE1-CZ 4.03Å
153	N	70.1	Confident	56	Low	120 Å²	120	92.3 Å²	92.3	64%	0.642	50%	0.496	S	S	*	.			trans	-73.4	81.3	174.3	-79.8	-66.8	0	0	0	109.4	P151 P155	P151-N153 PolarHBondContact O-N 3.41Å; P151-N153 PolarHBondContact O-ND2 3.48Å; N153-P155 VanDerWaalsContact O-CD 3.31Å; N153-P155 WeakPolarHBondContact O-CD 3.31Å; N153-P155 VanDerWaalsContact O-N 3.12Å
154	C	68.5	Low	57.9	Low	11 Å²	11	95 Å²	95	7%	0.074	50%	0.503	C	S	.	.			trans	-48.3	117.5	178.2	177.5	0	0	0	0	110.5	Y152 Q159 L167	Y152-C154 VanDerWaalsContact C-N 3.25Å; Y152-C154 HydrophobicContact CD1-CB 4.29Å; Y152-C154 HydrophobicContact CE1-CB 3.86Å; Y152-C154 PolarHBondContact O-N 2.91Å; C154-Q159 HydrophobicContact CB-CG 4.23Å; C154-Q159 PolarHBondContact O-NE2 2.86Å; C154-L167 HydrophobicContact CB-CD2 3.67Å
155	P	69.4	Low	60.2	Low	33 Å²	33	92.6 Å²	92.6	21%	0.214	48%	0.483	C	S	.	.			trans	-54	144.1	179.2	-28.7	35.3	0	0	0	112.1	N153 E157 L158 Q159	N153-P155 VanDerWaalsContact O-CD 3.31Å; N153-P155 WeakPolarHBondContact O-CD 3.31Å; N153-P155 VanDerWaalsContact O-N 3.12Å; P155-E157 PolarHBondContact O-N 3.41Å; P155-E157 VanDerWaalsContact O-N 3.1Å; P155-L158 PolarHBondContact O-N 2.84Å; P155-Q159 PolarHBondContact O-N 3.34Å; P155-Q159 VanDerWaalsContact O-N 3.15Å
156	P	63.6	Low	62.6	Low	95 Å²	95	89.9 Å²	89.9	62%	0.617	47%	0.47	S	S	*	.	H	α-helix	trans	-61	-25.3	-178.8	24.4	-34.4	0	0	0	112.8	L158 Q159	P156-L158 PolarHBondContact O-N 3.36Å; P156-Q159 PolarHBondContact O-N 3.28Å
157	E	65.3	Low	65	Low	102 Å²	102	84.7 Å²	84.7	48%	0.477	45%	0.448	S	S	.	.	H	α-helix	trans	-59.1	-23.6	171	-66.9	160.7	-179.4	0	0	113.6	P155 K233	P155-E157 PolarHBondContact O-N 3.41Å; P155-E157 VanDerWaalsContact O-N 3.1Å; E157-K233 IonicContact OE1-NZ 3.9Å; E157-K233 PolarHBondContact OE1-NZ 2.7Å; E157-K233 IonicContact OE2-NZ 3.24Å; E157-K233 PolarHBondContact OE2-NZ 2.86Å
158	L	68.5	Low	67.5	Low	0 Å²	0	79 Å²	79	0%	0	42%	0.422	C	S	.	.	H	α-helix	trans	-105.8	-31.1	178.4	-71.6	-179	0	0	0	113.1	P155 P156 Q160 L161 L162 I221 L224 Y230	P155-L158 PolarHBondContact O-N 2.84Å; P156-L158 PolarHBondContact O-N 3.36Å; L158-Q160 PolarHBondContact O-N 3.2Å; L158-Q160 VanDerWaalsContact O-N 3.11Å; L158-L161 PolarHBondContact O-N 3.18Å; L158-L162 HydrophobicContact CB-CD1 3.79Å; L158-L162 HydrophobicContact CB-CG 4.12Å; L158-L162 HydrophobicContact CD1-CD1 4.06Å; L158-L162 HydrophobicContact CD2-CD1 4.17Å; L158-L162 HydrophobicContact CD2-CG 4.43Å; L158-L162 HydrophobicContact CG-CD1 4.23Å; L158-L162 WeakPolarHBondContact O-CG 3.5Å; L158-L162 PolarHBondContact O-N 2.95Å; L158-I221 HydrophobicContact CD1-CD1 3.73Å; L158-I221 HydrophobicContact CD2-CD1 3.9Å; L158-I221 HydrophobicContact CG-CD1 4.49Å; L158-L224 HydrophobicContact CD2-CD1 3.65Å; L158-Y230 HydrophobicContact CD1-CD2 4.4Å; L158-Y230 HydrophobicContact CD1-CE1 4.05Å; L158-Y230 HydrophobicContact CD1-CE2 3.85Å; L158-Y230 HydrophobicContact CD2-CD1 4.06Å; L158-Y230 HydrophobicContact CD2-CD2 3.74Å; L158-Y230 HydrophobicContact CD2-CE1 4.32Å; L158-Y230 HydrophobicContact CD2-CE2 4.05Å; L158-Y230 HydrophobicContact CD2-CG 3.78Å; L158-Y230 HydrophobicContact CG-CD2 4Å; L158-Y230 HydrophobicContact CG-CE2 3.84Å; L158-Y230 HydrophobicContact CG-CG 4.48Å
159	Q	62.7	Low	69.4	Low	116 Å²	116	81.1 Å²	81.1	54%	0.542	42%	0.421	S	S	.	.	H	α-helix	trans	-54.1	-35.7	-176.6	-68.9	179.4	9.8	0	0	113.3	C154 P155 P156 L161	C154-Q159 HydrophobicContact CB-CG 4.23Å; C154-Q159 PolarHBondContact O-NE2 2.86Å; P155-Q159 PolarHBondContact O-N 3.34Å; P155-Q159 VanDerWaalsContact O-N 3.15Å; P156-Q159 PolarHBondContact O-N 3.28Å; Q159-L161 VanDerWaalsContact C-N 3.32Å; Q159-L161 PolarHBondContact O-N 3.01Å
160	Q	62.2	Low	71.1	Confident	177 Å²	177	75.5 Å²	75.5	83%	0.827	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-12.4	178.4	-66.4	-175	-3.9	0	0	114.7	L158	L158-Q160 PolarHBondContact O-N 3.2Å; L158-Q160 VanDerWaalsContact O-N 3.11Å
161	L	62.7	Low	72.2	Confident	65 Å²	65	71.2 Å²	71.2	34%	0.34	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-19.8	-178	-74.5	84.2	0	0	0	113	L158 Q159 L224	L158-L161 PolarHBondContact O-N 3.18Å; Q159-L161 VanDerWaalsContact C-N 3.32Å; Q159-L161 PolarHBondContact O-N 3.01Å; L161-L224 HydrophobicContact CB-CD1 4.38Å; L161-L224 HydrophobicContact CD2-CD1 4.28Å; L161-L224 HydrophobicContact CD2-CD2 3.48Å; L161-L224 VanDerWaalsContact CD2-CD2 3.48Å
162	L	63.2	Low	72.9	Confident	3 Å²	3	71.3 Å²	71.3	2%	0.016	37%	0.367	C	S	.	.			trans	-105.2	15.1	-173.8	-56.5	-170.6	0	0	0	114.9	L158 N164 F165 F217 E220 I221 L224	L158-L162 HydrophobicContact CB-CD1 3.79Å; L158-L162 HydrophobicContact CB-CG 4.12Å; L158-L162 HydrophobicContact CD1-CD1 4.06Å; L158-L162 HydrophobicContact CD2-CD1 4.17Å; L158-L162 HydrophobicContact CD2-CG 4.43Å; L158-L162 HydrophobicContact CG-CD1 4.23Å; L158-L162 WeakPolarHBondContact O-CG 3.5Å; L158-L162 PolarHBondContact O-N 2.95Å; L162-N164 PolarHBondContact O-N 3.35Å; L162-F165 HydrophobicContact CB-CD2 4.34Å; L162-F165 HydrophobicContact CD2-CD2 4.07Å; L162-F165 HydrophobicContact CD2-CE2 4.39Å; L162-F165 PolarHBondContact O-N 2.66Å; L162-F217 HydrophobicContact CD1-CD2 3.87Å; L162-F217 HydrophobicContact CD1-CE2 3.46Å; L162-F217 VanDerWaalsContact CD1-CE2 3.46Å; L162-F217 HydrophobicContact CD1-CZ 4.4Å; L162-E220 HydrophobicContact CD2-CB 4.21Å; L162-E220 HydrophobicContact CD2-CG 3.3Å; L162-I221 HydrophobicContact CD1-CD1 4.05Å; L162-L224 HydrophobicContact CD2-CD1 4.16Å
163	S	60	Low	73.6	Confident	96 Å²	96	72.5 Å²	72.5	67%	0.671	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-14.6	-171	62.3	0	0	0	0	116.5
164	N	70.9	Confident	74.5	Confident	142 Å²	142	66.8 Å²	66.8	76%	0.759	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117	7.9	-171	-56.9	-0.4	0	0	0	113.1	L162	L162-N164 PolarHBondContact O-N 3.35Å
165	F	77.6	Confident	75.6	Confident	68 Å²	68	67.6 Å²	67.6	30%	0.298	35%	0.345	S	S	.	.	S	Bend	trans	-117.2	152.4	-176.2	-55.7	-65.8	0	0	0	111.8	L162 L167 P216 F217 E220	L162-F165 HydrophobicContact CB-CD2 4.34Å; L162-F165 HydrophobicContact CD2-CD2 4.07Å; L162-F165 HydrophobicContact CD2-CE2 4.39Å; L162-F165 PolarHBondContact O-N 2.66Å; F165-L167 WeakPolarHBondContact O-CD1 3.44Å; F165-L167 PolarHBondContact O-N 2.88Å; F165-P216 HydrophobicContact CD1-CB 3.62Å; F165-P216 HydrophobicContact CE1-CB 3.92Å; F165-F217 HydrophobicContact CB-CB 4.4Å; F165-E220 HydrophobicContact CD2-CB 4.45Å; F165-E220 HydrophobicContact CD2-CG 4.24Å; F165-E220 HydrophobicContact CE2-CB 4.04Å; F165-E220 HydrophobicContact CE2-CG 3.68Å; F165-E220 HydrophobicContact CZ-CB 4.31Å; F165-E220 HydrophobicContact CZ-CG 4.29Å
166	Q	81.1	Confident	76.6	Confident	92 Å²	92	67.8 Å²	67.8	43%	0.43	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-69.7	124.5	170.2	-175.8	167.3	-18.9	0	0	109.4	P213 L214	Q166-P213 VanDerWaalsContact OE1-CB 3.3Å; Q166-L214 HydrophobicContact CB-CD2 4.19Å; Q166-L214 HydrophobicContact CG-CD2 3.94Å; Q166-L214 VanDerWaalsContact O-CD2 3.32Å; Q166-L214 WeakPolarHBondContact O-CD2 3.22Å
167	L	83	Confident	78	Confident	74 Å²	74	63.2 Å²	63.2	39%	0.387	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-74.3	148.8	173.7	-81.2	68.1	0	0	0	109.8	Y152 C154 F165	Y152-L167 HydrophobicContact CD1-CB 4.35Å; Y152-L167 HydrophobicContact CD1-CD2 4.32Å; Y152-L167 HydrophobicContact CD1-CG 4.49Å; C154-L167 HydrophobicContact CB-CD2 3.67Å; F165-L167 WeakPolarHBondContact O-CD1 3.44Å; F165-L167 PolarHBondContact O-N 2.88Å
168	P	85.1	Confident	79.3	Confident	5 Å²	5	58.7 Å²	58.7	3%	0.032	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-56.3	143.2	166	-22.9	33.5	0	0	0	111.2	Y152 Q173 A174 I177 L214 F217	Y152-P168 WeakPolarHBondContact CB-O 3.41Å; Y152-P168 HydrophobicContact CD1-CB 4.45Å; Y152-P168 HydrophobicContact CD1-CG 4.32Å; Y152-P168 HydrophobicContact CE1-CG 4.47Å; P168-Q173 HydrophobicContact CB-CB 4.2Å; P168-Q173 HydrophobicContact CB-CG 4.27Å; P168-A174 HydrophobicContact CB-CB 3.95Å; P168-A174 HydrophobicContact CG-CB 3.92Å; P168-I177 HydrophobicContact CB-CD1 4.34Å; P168-I177 HydrophobicContact CG-CD1 3.79Å; P168-L214 HydrophobicContact CB-CD1 4.3Å; P168-L214 HydrophobicContact CG-CD1 4.49Å; P168-F217 VanDerWaalsContact CD-CZ 3.45Å; P168-F217 HydrophobicContact CG-CD1 3.89Å; P168-F217 HydrophobicContact CG-CE1 3.41Å; P168-F217 VanDerWaalsContact CG-CE1 3.41Å; P168-F217 HydrophobicContact CG-CE2 4.27Å; P168-F217 HydrophobicContact CG-CZ 3.64Å
169	E	80.8	Confident	80.5	Confident	142 Å²	142	65 Å²	65	66%	0.664	32%	0.321	S	S	*	.	S	Bend	trans	-78.7	-27.1	-174.8	-69.4	165	-163.6	0	0	111.8
170	S	86.6	Confident	82	Confident	3 Å²	3	60 Å²	60	2%	0.021	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-128.1	141.4	-174.2	164.8	0	0	0	0	111.6	E149 K172 Q173 A174	E149-S170 VanDerWaalsContact CD-CB 3.48Å; E149-S170 WeakPolarHBondContact OE1-CB 3.25Å; E149-S170 PolarHBondContact OE1-OG 2.74Å; S170-K172 PolarHBondContact O-N 3.35Å; S170-K172 PolarHBondContact OG-N 3.35Å; S170-Q173 WeakPolarHBondContact O-CB 3.48Å; S170-Q173 PolarHBondContact O-N 2.74Å; S170-A174 PolarHBondContact O-N 2.92Å
171	D	86.2	Confident	83.5	Confident	42 Å²	42	51.5 Å²	51.5	23%	0.225	26%	0.259	C	S	.	.	H	α-helix	trans	-54.7	-37.3	174.6	-167.4	85.4	0	0	0	112.3	E150 Q173 A174 H175 R235	E150-D171 PolarHBondContact O-N 3.01Å; D171-Q173 VanDerWaalsContact C-N 3.34Å; D171-Q173 PolarHBondContact O-N 3.48Å; D171-A174 PolarHBondContact O-N 2.85Å; D171-H175 VanDerWaalsContact O-CB 3.29Å; D171-H175 WeakPolarHBondContact O-CB 3.44Å; D171-H175 PolarHBondContact O-N 3.04Å; D171-R235 WeakPolarHBondContact OD1-CD 3.47Å; D171-R235 IonicContact OD1-CZ 2.64Å; D171-R235 IonicContact OD1-NH1 3.84Å; D171-R235 PolarHBondContact OD1-NH1 3.1Å; D171-R235 WeakPolarHBondContact OD2-CD 3.15Å; D171-R235 IonicContact OD2-CZ 3.83Å; D171-R235 IonicContact OD2-NE 3.05Å; D171-R235 IonicContact OD2-NH1 2.94Å; D171-R235 PolarHBondContact OD2-NH1 3Å
172	K	87.5	Confident	85	Confident	94 Å²	94	49.9 Å²	49.9	41%	0.409	25%	0.252	S	S	.	.	H	α-helix	trans	-59.9	-43.4	175.4	-65.6	168.5	-176.5	160.6	0	111.6	H147 S170 H175 I176	H147-K172 PolarHBondContact O-NZ 3.31Å; S170-K172 PolarHBondContact O-N 3.35Å; S170-K172 PolarHBondContact OG-N 3.35Å; K172-H175 PolarHBondContact O-N 3.42Å; K172-I176 VanDerWaalsContact O-CG1 3.3Å; K172-I176 WeakPolarHBondContact O-CG1 3.35Å; K172-I176 PolarHBondContact O-N 3.45Å
173	Q	90.2	Very high	86.4	Confident	42 Å²	42	53.9 Å²	53.9	20%	0.196	27%	0.269	C	S	.	.	H	α-helix	trans	-66.5	-44.6	178.7	-167.1	-176.4	50	0	0	110.7	P168 S170 D171 H175 I176 I177 L214	P168-Q173 HydrophobicContact CB-CB 4.2Å; P168-Q173 HydrophobicContact CB-CG 4.27Å; S170-Q173 WeakPolarHBondContact O-CB 3.48Å; S170-Q173 PolarHBondContact O-N 2.74Å; D171-Q173 VanDerWaalsContact C-N 3.34Å; D171-Q173 PolarHBondContact O-N 3.48Å; Q173-H175 VanDerWaalsContact C-N 3.33Å; Q173-H175 PolarHBondContact O-N 2.63Å; Q173-I176 PolarHBondContact O-N 2.76Å; Q173-I177 HydrophobicContact CG-CD1 4.21Å; Q173-I177 WeakPolarHBondContact O-CD1 3.43Å; Q173-I177 VanDerWaalsContact O-CG1 3.28Å; Q173-I177 WeakPolarHBondContact O-CG1 3.36Å; Q173-I177 PolarHBondContact O-N 3.35Å; Q173-L214 HydrophobicContact CG-CD1 4.1Å; Q173-L214 VanDerWaalsContact OE1-CD1 3.3Å
174	A	89.6	Confident	88.1	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60.4	-40.8	173.3	0	0	0	0	0	112.5	Y152 P168 S170 D171 I177 E178	Y152-A174 HydrophobicContact CD1-CB 4.19Å; Y152-A174 HydrophobicContact CD2-CB 3.32Å; Y152-A174 HydrophobicContact CE1-CB 4.23Å; Y152-A174 HydrophobicContact CE2-CB 3.36Å; Y152-A174 HydrophobicContact CG-CB 3.73Å; P168-A174 HydrophobicContact CB-CB 3.95Å; P168-A174 HydrophobicContact CG-CB 3.92Å; S170-A174 PolarHBondContact O-N 2.92Å; D171-A174 PolarHBondContact O-N 2.85Å; A174-I177 PolarHBondContact O-N 3.47Å; A174-E178 WeakPolarHBondContact O-CB 3.42Å; A174-E178 WeakPolarHBondContact O-CG 3.2Å; A174-E178 PolarHBondContact O-N 3.07Å
175	H	90.8	Very high	89.1	Confident	28 Å²	28	44.7 Å²	44.7	13%	0.13	22%	0.216	C	C	.	.	H	α-helix	trans	-65.4	-38.6	178.5	-175.4	83.8	0	0	0	112.5	D171 K172 Q173 K179	D171-H175 VanDerWaalsContact O-CB 3.29Å; D171-H175 WeakPolarHBondContact O-CB 3.44Å; D171-H175 PolarHBondContact O-N 3.04Å; K172-H175 PolarHBondContact O-N 3.42Å; Q173-H175 VanDerWaalsContact C-N 3.33Å; Q173-H175 PolarHBondContact O-N 2.63Å; H175-K179 WeakPolarHBondContact NE2-CE 3.33Å; H175-K179 PolarHBondContact NE2-NZ 3.36Å; H175-K179 WeakPolarHBondContact O-CB 3.36Å; H175-K179 WeakPolarHBondContact O-CG 3.48Å; H175-K179 PolarHBondContact O-N 2.87Å
176	I	92	Very high	89.9	Confident	37 Å²	37	50 Å²	50	19%	0.19	23%	0.234	C	C	.	.	H	α-helix	trans	-66.2	-44.1	172.8	-66.3	166.2	0	0	0	110.5	K172 Q173 T180 L204 F205 F207	K172-I176 VanDerWaalsContact O-CG1 3.3Å; K172-I176 WeakPolarHBondContact O-CG1 3.35Å; K172-I176 PolarHBondContact O-N 3.45Å; Q173-I176 PolarHBondContact O-N 2.76Å; I176-T180 VanDerWaalsContact O-CB 3.25Å; I176-T180 WeakPolarHBondContact O-CB 3.29Å; I176-T180 PolarHBondContact O-N 2.83Å; I176-T180 PolarHBondContact O-OG1 2.88Å; I176-L204 HydrophobicContact CD1-CB 4.16Å; I176-L204 HydrophobicContact CD1-CD1 4.16Å; I176-F205 HydrophobicContact CG2-CD1 4.48Å; I176-F205 HydrophobicContact CG2-CE1 4.04Å; I176-F205 HydrophobicContact CG2-CZ 4.13Å; I176-F207 HydrophobicContact CG2-CE1 3.9Å; I176-F207 HydrophobicContact CG2-CZ 4.22Å
177	I	93	Very high	90.3	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.1	-47.7	178	-68.6	163.6	0	0	0	110.9	P168 Q173 A174 T180 A181 F207 L214 F217 Y218	P168-I177 HydrophobicContact CB-CD1 4.34Å; P168-I177 HydrophobicContact CG-CD1 3.79Å; Q173-I177 HydrophobicContact CG-CD1 4.21Å; Q173-I177 WeakPolarHBondContact O-CD1 3.43Å; Q173-I177 VanDerWaalsContact O-CG1 3.28Å; Q173-I177 WeakPolarHBondContact O-CG1 3.36Å; Q173-I177 PolarHBondContact O-N 3.35Å; A174-I177 PolarHBondContact O-N 3.47Å; I177-T180 PolarHBondContact O-N 2.83Å; I177-A181 VanDerWaalsContact O-CB 3.31Å; I177-A181 WeakPolarHBondContact O-CB 3.14Å; I177-A181 PolarHBondContact O-N 3.39Å; I177-F207 HydrophobicContact CB-CZ 4.47Å; I177-F207 HydrophobicContact CD1-CD1 4.18Å; I177-F207 HydrophobicContact CD1-CG 4.28Å; I177-F207 HydrophobicContact CG1-CB 4.49Å; I177-F207 HydrophobicContact CG1-CD1 3.54Å; I177-F207 HydrophobicContact CG1-CD2 4.01Å; I177-F207 HydrophobicContact CG1-CE1 3.6Å; I177-F207 HydrophobicContact CG1-CE2 4.07Å; I177-F207 HydrophobicContact CG1-CG 3.75Å; I177-F207 HydrophobicContact CG1-CZ 3.88Å; I177-L214 HydrophobicContact CD1-CB 4.38Å; I177-L214 HydrophobicContact CD1-CD1 3.98Å; I177-F217 HydrophobicContact CB-CE1 4.37Å; I177-F217 HydrophobicContact CD1-CD1 4.2Å; I177-F217 HydrophobicContact CD1-CE1 4.23Å; I177-F217 HydrophobicContact CG2-CD1 3.88Å; I177-F217 HydrophobicContact CG2-CE1 3.72Å; I177-Y218 HydrophobicContact CG2-CD2 4.05Å
178	E	92.6	Very high	90.6	Very high	6 Å²	6	49.2 Å²	49.2	3%	0.028	24%	0.238	C	C	.	.	H	α-helix	trans	-64	-45.2	178.3	-78	170	-147.5	0	0	112.4	Y152 A174 T180 A181 V182 I221 Y230 P232 R235	Y152-E178 PolarHBondContact OH-OE1 2.9Å; A174-E178 WeakPolarHBondContact O-CB 3.42Å; A174-E178 WeakPolarHBondContact O-CG 3.2Å; A174-E178 PolarHBondContact O-N 3.07Å; E178-T180 VanDerWaalsContact C-N 3.3Å; E178-T180 PolarHBondContact O-N 2.62Å; E178-A181 PolarHBondContact O-N 3.05Å; E178-V182 WeakPolarHBondContact O-CG2 3.22Å; E178-V182 PolarHBondContact O-N 3.33Å; E178-I221 HydrophobicContact CG-CG2 4.4Å; E178-Y230 HydrophobicContact CG-CE1 4.27Å; E178-Y230 PolarHBondContact OE1-OH 3.27Å; E178-Y230 PolarHBondContact OE2-OH 2.81Å; E178-P232 HydrophobicContact CB-CB 4.23Å; E178-P232 HydrophobicContact CB-CG 4.19Å; E178-P232 HydrophobicContact CG-CG 4.35Å; E178-R235 IonicContact OE1-CZ 3.48Å; E178-R235 IonicContact OE1-NH2 2.68Å; E178-R235 PolarHBondContact OE1-NH2 3.43Å; E178-R235 IonicContact OE2-CZ 2.68Å; E178-R235 IonicContact OE2-NH2 3.32Å; E178-R235 PolarHBondContact OE2-NH2 3.1Å
179	K	93.1	Very high	90.9	Very high	133 Å²	133	53.2 Å²	53.2	58%	0.578	27%	0.266	S	S	*	.	H	α-helix	trans	-57.3	-44.5	173.1	-85	175.3	163.2	168.9	0	111.5	H175 V182 F183	H175-K179 WeakPolarHBondContact NE2-CE 3.33Å; H175-K179 PolarHBondContact NE2-NZ 3.36Å; H175-K179 WeakPolarHBondContact O-CB 3.36Å; H175-K179 WeakPolarHBondContact O-CG 3.48Å; H175-K179 PolarHBondContact O-N 2.87Å; K179-V182 PolarHBondContact O-N 2.91Å; K179-F183 WeakPolarHBondContact O-CB 3.35Å; K179-F183 PolarHBondContact O-N 3.46Å
180	T	93.7	Very high	91.3	Very high	10 Å²	10	54 Å²	54	6%	0.061	27%	0.269	C	S	.	.	H	α-helix	trans	-66.9	-39.2	179.4	-58.1	0	0	0	0	111.6	I176 I177 E178 F183 V184 L195 F207 L208 Y218	I176-T180 VanDerWaalsContact O-CB 3.25Å; I176-T180 WeakPolarHBondContact O-CB 3.29Å; I176-T180 PolarHBondContact O-N 2.83Å; I176-T180 PolarHBondContact O-OG1 2.88Å; I177-T180 PolarHBondContact O-N 2.83Å; E178-T180 VanDerWaalsContact C-N 3.3Å; E178-T180 PolarHBondContact O-N 2.62Å; T180-F183 PolarHBondContact O-N 2.88Å; T180-V184 WeakPolarHBondContact O-CG2 3.38Å; T180-V184 PolarHBondContact O-N 3.33Å; T180-L195 HydrophobicContact CG2-CD1 3.87Å; T180-F207 HydrophobicContact CG2-CE2 3.87Å; T180-F207 HydrophobicContact CG2-CZ 3.94Å; T180-L208 HydrophobicContact CG2-CD2 4.13Å; T180-Y218 HydrophobicContact CG2-CE2 3.98Å
181	A	94	Very high	91.6	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-67.6	-42	176.9	0	0	0	0	0	112.3	I177 E178 F183 S185 Y218 I221 V222 I225	I177-A181 VanDerWaalsContact O-CB 3.31Å; I177-A181 WeakPolarHBondContact O-CB 3.14Å; I177-A181 PolarHBondContact O-N 3.39Å; E178-A181 PolarHBondContact O-N 3.05Å; A181-F183 VanDerWaalsContact C-N 3.28Å; A181-F183 PolarHBondContact O-N 2.84Å; A181-S185 WeakPolarHBondContact O-CB 3.25Å; A181-S185 PolarHBondContact O-N 3.08Å; A181-S185 PolarHBondContact O-OG 3.13Å; A181-Y218 HydrophobicContact CB-CD2 4.25Å; A181-Y218 HydrophobicContact CB-CE2 4.07Å; A181-I221 HydrophobicContact CB-CB 4.28Å; A181-I221 HydrophobicContact CB-CG2 3.6Å; A181-V222 HydrophobicContact CB-CG2 3.61Å; A181-I225 HydrophobicContact CB-CD1 3.8Å
182	V	93.5	Very high	92	Very high	31 Å²	31	55 Å²	55	19%	0.188	27%	0.273	C	S	.	.	H	α-helix	trans	-60.8	-37.4	172.2	171.3	0	0	0	0	111.6	E178 K179 S185 R186 I225 P232	E178-V182 WeakPolarHBondContact O-CG2 3.22Å; E178-V182 PolarHBondContact O-N 3.33Å; K179-V182 PolarHBondContact O-N 2.91Å; V182-S185 PolarHBondContact O-OG 3.36Å; V182-R186 WeakPolarHBondContact O-CB 3.36Å; V182-R186 VanDerWaalsContact O-CD 3.29Å; V182-R186 WeakPolarHBondContact O-CD 3.27Å; V182-R186 WeakPolarHBondContact O-CG 3.12Å; V182-R186 PolarHBondContact O-N 3.1Å; V182-I225 HydrophobicContact CG2-CD1 3.82Å; V182-P232 HydrophobicContact CG2-CB 4.27Å; V182-P232 HydrophobicContact CG2-CG 3.63Å
183	F	93.8	Very high	92.1	Very high	86 Å²	86	56.2 Å²	56.2	38%	0.377	28%	0.283	S	S	.	.	H	α-helix	trans	-71.8	-49.4	179.7	-173.4	-113.5	0	0	0	111.6	K179 T180 A181 R186 Q187 M191 L195	K179-F183 WeakPolarHBondContact O-CB 3.35Å; K179-F183 PolarHBondContact O-N 3.46Å; T180-F183 PolarHBondContact O-N 2.88Å; A181-F183 VanDerWaalsContact C-N 3.28Å; A181-F183 PolarHBondContact O-N 2.84Å; F183-R186 PolarHBondContact O-N 3.38Å; F183-Q187 HydrophobicContact CD2-CG 4.17Å; F183-Q187 HydrophobicContact CE2-CG 4.02Å; F183-Q187 HydrophobicContact CZ-CG 4.28Å; F183-Q187 WeakPolarHBondContact O-CB 3.18Å; F183-Q187 WeakPolarHBondContact O-CG 3.28Å; F183-Q187 PolarHBondContact O-N 2.93Å; F183-M191 HydrophobicContact CD1-CG 3.63Å; F183-M191 HydrophobicContact CD1-SD 4.45Å; F183-M191 HydrophobicContact CE1-CE 4.39Å; F183-M191 HydrophobicContact CE1-CG 3.21Å; F183-M191 HydrophobicContact CE1-SD 3.47Å; F183-M191 WeakPolarHBondContact CE1-SD 3.32Å; F183-M191 HydrophobicContact CZ-CE 4.26Å; F183-M191 HydrophobicContact CZ-CG 3.96Å; F183-M191 HydrophobicContact CZ-SD 3.85Å; F183-L195 HydrophobicContact CD1-CD1 3.87Å; F183-L195 HydrophobicContact CE1-CD1 4.21Å
184	V	94.3	Very high	92.3	Very high	6 Å²	6	57 Å²	57	4%	0.036	29%	0.291	C	S	.	.	H	α-helix	trans	-67.3	-38.9	178.4	171.3	0	0	0	0	112.1	T180 R186 Q187 G188 E192 L195 Y218	T180-V184 WeakPolarHBondContact O-CG2 3.38Å; T180-V184 PolarHBondContact O-N 3.33Å; V184-R186 PolarHBondContact O-N 2.85Å; V184-Q187 PolarHBondContact O-N 3.09Å; V184-G188 WeakPolarHBondContact O-CA 3.25Å; V184-G188 PolarHBondContact O-N 3.03Å; V184-E192 HydrophobicContact CG1-CB 3.98Å; V184-E192 HydrophobicContact CG2-CB 4.11Å; V184-L195 HydrophobicContact CG2-CD1 4.09Å; V184-Y218 WeakPolarHBondContact CG2-OH 3.27Å
185	S	92.9	Very high	92.4	Very high	40 Å²	40	58.5 Å²	58.5	28%	0.28	30%	0.298	S	S	.	.	H	α-helix	trans	-67	-17.3	175	73.4	0	0	0	0	113.5	A181 V182 I225	A181-S185 WeakPolarHBondContact O-CB 3.25Å; A181-S185 PolarHBondContact O-N 3.08Å; A181-S185 PolarHBondContact O-OG 3.13Å; V182-S185 PolarHBondContact O-OG 3.36Å; S185-I225 WeakPolarHBondContact OG-CG2 3.31Å
186	R	93.1	Very high	92.6	Very high	179 Å²	179	60 Å²	60	68%	0.675	30%	0.304	S	S	*	.	H	α-helix	trans	-93.3	-34.8	174.9	-75.9	173.5	176.9	-174.5	0.7	113.5	V182 F183 V184	V182-R186 WeakPolarHBondContact O-CB 3.36Å; V182-R186 VanDerWaalsContact O-CD 3.29Å; V182-R186 WeakPolarHBondContact O-CD 3.27Å; V182-R186 WeakPolarHBondContact O-CG 3.12Å; V182-R186 PolarHBondContact O-N 3.1Å; F183-R186 PolarHBondContact O-N 3.38Å; V184-R186 PolarHBondContact O-N 2.85Å
187	Q	91.3	Very high	92.6	Very high	114 Å²	114	61.2 Å²	61.2	53%	0.533	32%	0.32	S	S	.	.	H	α-helix	trans	-102.5	-10.3	-173.8	-57.3	-67.7	20	0	0	114	F183 V184 M191	F183-Q187 HydrophobicContact CD2-CG 4.17Å; F183-Q187 HydrophobicContact CE2-CG 4.02Å; F183-Q187 HydrophobicContact CZ-CG 4.28Å; F183-Q187 WeakPolarHBondContact O-CB 3.18Å; F183-Q187 WeakPolarHBondContact O-CG 3.28Å; F183-Q187 PolarHBondContact O-N 2.93Å; V184-Q187 PolarHBondContact O-N 3.09Å; Q187-M191 HydrophobicContact CB-CB 3.67Å; Q187-M191 HydrophobicContact CB-CE 4Å; Q187-M191 HydrophobicContact CB-CG 3.84Å; Q187-M191 HydrophobicContact CG-CE 4.17Å; Q187-M191 HydrophobicContact CG-CG 4.27Å
188	G	89.6	Confident	92.7	Very high	36 Å²	36	68.7 Å²	68.7	37%	0.371	35%	0.353	S	S	.	.			trans	88.7	170.6	-178.5	0	0	0	0	0	114.2	V184 Q190 M191	V184-G188 WeakPolarHBondContact O-CA 3.25Å; V184-G188 PolarHBondContact O-N 3.03Å; G188-Q190 VanDerWaalsContact C-N 3.28Å; G188-Q190 PolarHBondContact O-N 3.49Å; G188-M191 WeakPolarHBondContact O-CB 3.47Å; G188-M191 PolarHBondContact O-N 2.92Å
189	S	89.8	Confident	92.7	Very high	89 Å²	89	70.5 Å²	70.5	62%	0.622	36%	0.361	S	S	*	.	H	α-helix	trans	-61.8	-28.7	-174.8	49.2	0	0	0	0	114.3	M191 E192 I193	S189-M191 PolarHBondContact O-N 2.57Å; S189-E192 VanDerWaalsContact O-CB 3.24Å; S189-E192 WeakPolarHBondContact O-CB 3.42Å; S189-E192 PolarHBondContact O-N 3.18Å; S189-I193 PolarHBondContact O-N 2.78Å
190	Q	89.8	Confident	92.5	Very high	157 Å²	157	70 Å²	70	73%	0.734	37%	0.365	S	S	*	.	H	α-helix	trans	-56	-34.2	172.7	-69.6	-178.1	-10.9	0	0	112	G188 E192 I193 V194	G188-Q190 VanDerWaalsContact C-N 3.28Å; G188-Q190 PolarHBondContact O-N 3.49Å; Q190-E192 VanDerWaalsContact C-N 3.31Å; Q190-E192 PolarHBondContact O-N 3.21Å; Q190-I193 WeakPolarHBondContact O-CB 3.47Å; Q190-I193 PolarHBondContact O-N 3.37Å; Q190-V194 WeakPolarHBondContact O-CG2 3.42Å; Q190-V194 PolarHBondContact O-N 3.25Å
191	M	93	Very high	92.3	Very high	51 Å²	51	79.1 Å²	79.1	25%	0.251	40%	0.404	S	S	.	.	H	α-helix	trans	-71	-26.8	178.2	-166.4	58.5	67.7	0	0	112.7	F183 Q187 G188 S189 V194 L195	F183-M191 HydrophobicContact CD1-CG 3.63Å; F183-M191 HydrophobicContact CD1-SD 4.45Å; F183-M191 HydrophobicContact CE1-CE 4.39Å; F183-M191 HydrophobicContact CE1-CG 3.21Å; F183-M191 HydrophobicContact CE1-SD 3.47Å; F183-M191 WeakPolarHBondContact CE1-SD 3.32Å; F183-M191 HydrophobicContact CZ-CE 4.26Å; F183-M191 HydrophobicContact CZ-CG 3.96Å; F183-M191 HydrophobicContact CZ-SD 3.85Å; Q187-M191 HydrophobicContact CB-CB 3.67Å; Q187-M191 HydrophobicContact CB-CE 4Å; Q187-M191 HydrophobicContact CB-CG 3.84Å; Q187-M191 HydrophobicContact CG-CE 4.17Å; Q187-M191 HydrophobicContact CG-CG 4.27Å; G188-M191 WeakPolarHBondContact O-CB 3.47Å; G188-M191 PolarHBondContact O-N 2.92Å; S189-M191 PolarHBondContact O-N 2.57Å; M191-V194 HydrophobicContact SD-CB 4.3Å; M191-V194 HydrophobicContact SD-CG1 4.3Å; M191-L195 WeakPolarHBondContact O-CB 3.39Å; M191-L195 WeakPolarHBondContact O-CG 3.32Å; M191-L195 PolarHBondContact O-N 3.33Å
192	E	93.4	Very high	92.1	Very high	16 Å²	16	81.3 Å²	81.3	8%	0.075	42%	0.416	C	S	.	.	H	α-helix	trans	-64.7	-44.6	170.9	-166	-171.7	125.8	0	0	110.6	V184 S189 Q190 L195 K196 L208 Y218 K219	V184-E192 HydrophobicContact CG1-CB 3.98Å; V184-E192 HydrophobicContact CG2-CB 4.11Å; S189-E192 VanDerWaalsContact O-CB 3.24Å; S189-E192 WeakPolarHBondContact O-CB 3.42Å; S189-E192 PolarHBondContact O-N 3.18Å; Q190-E192 VanDerWaalsContact C-N 3.31Å; Q190-E192 PolarHBondContact O-N 3.21Å; E192-L195 PolarHBondContact O-N 3.21Å; E192-K196 VanDerWaalsContact O-CB 3.26Å; E192-K196 WeakPolarHBondContact O-CB 3.23Å; E192-K196 PolarHBondContact O-N 3.36Å; E192-L208 HydrophobicContact CG-CD2 4.13Å; E192-Y218 HydrophobicContact CG-CE1 4.26Å; E192-K219 IonicContact OE1-NZ 2.64Å; E192-K219 PolarHBondContact OE1-NZ 3.13Å; E192-K219 IonicContact OE2-NZ 3.34Å; E192-K219 PolarHBondContact OE2-NZ 3.46Å
193	I	91.4	Very high	91.9	Very high	119 Å²	119	85.2 Å²	85.2	61%	0.61	44%	0.441	S	S	*	.	H	α-helix	trans	-61.9	-45.9	177.1	-55.7	172.9	0	0	0	110.2	S189 Q190 L195 K196 A197	S189-I193 PolarHBondContact O-N 2.78Å; Q190-I193 WeakPolarHBondContact O-CB 3.47Å; Q190-I193 PolarHBondContact O-N 3.37Å; I193-L195 PolarHBondContact O-N 3.16Å; I193-K196 PolarHBondContact O-N 3.17Å; I193-A197 WeakPolarHBondContact O-CB 3.22Å; I193-A197 PolarHBondContact O-N 3.38Å
194	V	93	Very high	91.7	Very high	60 Å²	60	85.3 Å²	85.3	36%	0.364	45%	0.445	S	S	.	.	H	α-helix	trans	-61.7	-41.1	177.4	171.6	0	0	0	0	112	Q190 M191 K198	Q190-V194 WeakPolarHBondContact O-CG2 3.42Å; Q190-V194 PolarHBondContact O-N 3.25Å; M191-V194 HydrophobicContact SD-CB 4.3Å; M191-V194 HydrophobicContact SD-CG1 4.3Å; V194-K198 HydrophobicContact CG1-CD 3.92Å; V194-K198 WeakPolarHBondContact O-CB 3.46Å; V194-K198 VanDerWaalsContact O-CG 3.29Å; V194-K198 WeakPolarHBondContact O-CG 3.25Å; V194-K198 PolarHBondContact O-N 3.33Å
195	L	92.9	Very high	91.7	Very high	30 Å²	30	87 Å²	87	16%	0.157	45%	0.452	C	S	.	.	H	α-helix	trans	-67.9	-46.5	175.4	-79.4	172.6	0	0	0	112.1	T180 F183 V184 M191 E192 I193 A197 K198 Q199 L208	T180-L195 HydrophobicContact CG2-CD1 3.87Å; F183-L195 HydrophobicContact CD1-CD1 3.87Å; F183-L195 HydrophobicContact CE1-CD1 4.21Å; V184-L195 HydrophobicContact CG2-CD1 4.09Å; M191-L195 WeakPolarHBondContact O-CB 3.39Å; M191-L195 WeakPolarHBondContact O-CG 3.32Å; M191-L195 PolarHBondContact O-N 3.33Å; E192-L195 PolarHBondContact O-N 3.21Å; I193-L195 PolarHBondContact O-N 3.16Å; L195-A197 VanDerWaalsContact C-N 3.27Å; L195-A197 PolarHBondContact O-N 3.05Å; L195-K198 PolarHBondContact O-N 2.93Å; L195-K198 VanDerWaalsContact O-N 3.17Å; L195-Q199 WeakPolarHBondContact O-CB 3.45Å; L195-Q199 PolarHBondContact O-N 2.97Å; L195-L208 HydrophobicContact CB-CD1 3.78Å
196	K	93.5	Very high	91.6	Very high	59 Å²	59	85.9 Å²	85.9	26%	0.257	45%	0.447	S	S	.	.	H	α-helix	trans	-57.5	-40.6	177.6	-173.6	176.6	-175.6	164.4	0	111.5	E192 I193 N200 L208	E192-K196 VanDerWaalsContact O-CB 3.26Å; E192-K196 WeakPolarHBondContact O-CB 3.23Å; E192-K196 PolarHBondContact O-N 3.36Å; I193-K196 PolarHBondContact O-N 3.17Å; K196-N200 WeakPolarHBondContact O-CB 3.26Å; K196-N200 PolarHBondContact O-N 3.32Å; K196-L208 HydrophobicContact CB-CB 4.26Å; K196-L208 VanDerWaalsContact CD-O 3.31Å; K196-L208 WeakPolarHBondContact CD-O 3.34Å; K196-L208 VanDerWaalsContact CE-O 3.24Å; K196-L208 WeakPolarHBondContact CE-O 3.31Å; K196-L208 HydrophobicContact CG-CB 4.33Å; K196-L208 PolarHBondContact NZ-O 3.33Å
197	A	93	Very high	91.6	Very high	64 Å²	64	77.5 Å²	77.5	53%	0.529	42%	0.415	S	S	.	.	H	α-helix	trans	-69	-45.4	174.3	0	0	0	0	0	112.8	I193 L195	I193-A197 WeakPolarHBondContact O-CB 3.22Å; I193-A197 PolarHBondContact O-N 3.38Å; L195-A197 VanDerWaalsContact C-N 3.27Å; L195-A197 PolarHBondContact O-N 3.05Å
198	K	94.3	Very high	91.7	Very high	156 Å²	156	72.2 Å²	72.2	68%	0.678	39%	0.391	S	S	*	.	H	α-helix	trans	-76	-22.6	-176	-73.8	-179.5	177.8	-178.4	0	115	V194 L195	V194-K198 HydrophobicContact CG1-CD 3.92Å; V194-K198 WeakPolarHBondContact O-CB 3.46Å; V194-K198 VanDerWaalsContact O-CG 3.29Å; V194-K198 WeakPolarHBondContact O-CG 3.25Å; V194-K198 PolarHBondContact O-N 3.33Å; L195-K198 PolarHBondContact O-N 2.93Å; L195-K198 VanDerWaalsContact O-N 3.17Å
199	Q	92.4	Very high	91.8	Very high	45 Å²	45	73.2 Å²	73.2	21%	0.21	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	15	-176.8	-65.2	-64.5	-51.8	0	0	113.2	L195 K201 N202 F205	L195-Q199 WeakPolarHBondContact O-CB 3.45Å; L195-Q199 PolarHBondContact O-N 2.97Å; Q199-K201 PolarHBondContact O-N 3.45Å; Q199-N202 HydrophobicContact CB-CB 4.44Å; Q199-N202 WeakPolarHBondContact O-CB 3.49Å; Q199-N202 PolarHBondContact O-N 2.84Å; Q199-N202 PolarHBondContact OE1-ND2 2.86Å; Q199-F205 HydrophobicContact CB-CB 3.81Å; Q199-F205 HydrophobicContact CB-CD1 4.4Å; Q199-F205 HydrophobicContact CB-CD2 3.75Å; Q199-F205 HydrophobicContact CB-CE2 4.43Å; Q199-F205 HydrophobicContact CB-CG 3.73Å; Q199-F205 HydrophobicContact CG-CD1 4.43Å; Q199-F205 HydrophobicContact CG-CD2 3.8Å; Q199-F205 HydrophobicContact CG-CE2 3.97Å; Q199-F205 HydrophobicContact CG-CG 4.05Å; Q199-F205 HydrophobicContact CG-CZ 4.35Å
200	N	89.6	Confident	91.8	Very high	123 Å²	123	76.4 Å²	76.4	66%	0.658	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-26.9	-178.3	63	-6.9	0	0	0	115	K196	K196-N200 WeakPolarHBondContact O-CB 3.26Å; K196-N200 PolarHBondContact O-N 3.32Å
201	K	88.8	Confident	91.9	Very high	200 Å²	200	76.2 Å²	76.2	87%	0.87	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-6.7	176.6	-67.5	178.3	-177.7	-178.9	0	114.3	Q199	Q199-K201 PolarHBondContact O-N 3.45Å
202	N	91.2	Very high	91.8	Very high	47 Å²	47	76.1 Å²	76.1	25%	0.251	39%	0.392	S	S	.	.			trans	-103.9	111.6	-172.2	-174.1	-10.7	0	0	0	110.7	Q199 L204 F205	Q199-N202 HydrophobicContact CB-CB 4.44Å; Q199-N202 WeakPolarHBondContact O-CB 3.49Å; Q199-N202 PolarHBondContact O-N 2.84Å; Q199-N202 PolarHBondContact OE1-ND2 2.86Å; N202-L204 PolarHBondContact O-N 3Å; N202-L204 VanDerWaalsContact O-N 3.15Å; N202-L204 WeakPolarHBondContact OD1-CB 3.48Å; N202-L204 PolarHBondContact OD1-N 3.25Å; N202-F205 HydrophobicContact CB-CD2 4.13Å; N202-F205 WeakPolarHBondContact ND2-CD2 3.44Å; N202-F205 PolarHBondContact O-N 3.27Å
203	P	89.6	Confident	91.7	Very high	112 Å²	112	78.6 Å²	78.6	73%	0.727	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-62.6	-24.9	-176.2	26	-34.7	0	0	0	113.1	F205 G206	P203-F205 PolarHBondContact O-N 2.94Å; P203-G206 PolarHBondContact O-N 3.32Å
204	L	89.6	Confident	91.8	Very high	89 Å²	89	73.1 Å²	73.1	47%	0.466	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-63.4	-22	175.3	-61.3	175.7	0	0	0	113	I176 N202 F207	I176-L204 HydrophobicContact CD1-CB 4.16Å; I176-L204 HydrophobicContact CD1-CD1 4.16Å; N202-L204 PolarHBondContact O-N 3Å; N202-L204 VanDerWaalsContact O-N 3.15Å; N202-L204 WeakPolarHBondContact OD1-CB 3.48Å; N202-L204 PolarHBondContact OD1-N 3.25Å; L204-F207 WeakPolarHBondContact O-CD1 3.43Å; L204-F207 WeakPolarHBondContact O-CE1 3.21Å
205	F	93.1	Very high	91.8	Very high	42 Å²	42	70.9 Å²	70.9	18%	0.184	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-100.7	11	174	-71.3	-86	0	0	0	113.2	I176 Q199 N202 P203 F207 L208	I176-F205 HydrophobicContact CG2-CD1 4.48Å; I176-F205 HydrophobicContact CG2-CE1 4.04Å; I176-F205 HydrophobicContact CG2-CZ 4.13Å; Q199-F205 HydrophobicContact CB-CB 3.81Å; Q199-F205 HydrophobicContact CB-CD1 4.4Å; Q199-F205 HydrophobicContact CB-CD2 3.75Å; Q199-F205 HydrophobicContact CB-CE2 4.43Å; Q199-F205 HydrophobicContact CB-CG 3.73Å; Q199-F205 HydrophobicContact CG-CD1 4.43Å; Q199-F205 HydrophobicContact CG-CD2 3.8Å; Q199-F205 HydrophobicContact CG-CE2 3.97Å; Q199-F205 HydrophobicContact CG-CG 4.05Å; Q199-F205 HydrophobicContact CG-CZ 4.35Å; N202-F205 HydrophobicContact CB-CD2 4.13Å; N202-F205 WeakPolarHBondContact ND2-CD2 3.44Å; N202-F205 PolarHBondContact O-N 3.27Å; P203-F205 PolarHBondContact O-N 2.94Å; F205-F207 HydrophobicContact CD1-CE1 4.26Å; F205-F207 HydrophobicContact CD1-CZ 4.1Å; F205-F207 PolarHBondContact O-N 2.81Å; F205-F207 VanDerWaalsContact O-N 3.07Å; F205-L208 HydrophobicContact CB-CD1 4.32Å; F205-L208 HydrophobicContact CD1-CD1 4.06Å; F205-L208 WeakPolarHBondContact O-CB 3.41Å; F205-L208 PolarHBondContact O-N 3.43Å
206	G	90.5	Very high	91.7	Very high	16 Å²	16	72.3 Å²	72.3	17%	0.165	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-53.3	-31.1	179.3	0	0	0	0	0	113.5	P203 L208 T209 H212	P203-G206 PolarHBondContact O-N 3.32Å; G206-L208 PolarHBondContact O-N 3.11Å; G206-T209 PolarHBondContact O-N 2.98Å; G206-T209 PolarHBondContact O-OG1 2.89Å; G206-H212 VanDerWaalsContact C-CG 3.47Å; G206-H212 WeakPolarHBondContact O-CB 3.27Å
207	F	94	Very high	91.6	Very high	3 Å²	3	69.5 Å²	69.5	1%	0.013	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-60	-10.2	175	69.6	-95.7	0	0	0	115.3	I176 I177 T180 L204 F205 H212 L214 N215 Y218	I176-F207 HydrophobicContact CG2-CE1 3.9Å; I176-F207 HydrophobicContact CG2-CZ 4.22Å; I177-F207 HydrophobicContact CB-CZ 4.47Å; I177-F207 HydrophobicContact CD1-CD1 4.18Å; I177-F207 HydrophobicContact CD1-CG 4.28Å; I177-F207 HydrophobicContact CG1-CB 4.49Å; I177-F207 HydrophobicContact CG1-CD1 3.54Å; I177-F207 HydrophobicContact CG1-CD2 4.01Å; I177-F207 HydrophobicContact CG1-CE1 3.6Å; I177-F207 HydrophobicContact CG1-CE2 4.07Å; I177-F207 HydrophobicContact CG1-CG 3.75Å; I177-F207 HydrophobicContact CG1-CZ 3.88Å; T180-F207 HydrophobicContact CG2-CE2 3.87Å; T180-F207 HydrophobicContact CG2-CZ 3.94Å; L204-F207 WeakPolarHBondContact O-CD1 3.43Å; L204-F207 WeakPolarHBondContact O-CE1 3.21Å; F205-F207 HydrophobicContact CD1-CE1 4.26Å; F205-F207 HydrophobicContact CD1-CZ 4.1Å; F205-F207 PolarHBondContact O-N 2.81Å; F205-F207 VanDerWaalsContact O-N 3.07Å; F207-H212 WeakPolarHBondContact CA-ND1 3.29Å; F207-L214 HydrophobicContact CB-CB 4Å; F207-N215 PolarHBondContact O-ND2 3.05Å; F207-Y218 HydrophobicContact CD2-CD1 4.04Å; F207-Y218 AromaticContact CD2-CD2 3.85Å; F207-Y218 HydrophobicContact CD2-CD2 3.85Å; F207-Y218 HydrophobicContact CD2-CE2 4.5Å; F207-Y218 AromaticContact CD2-CG 3.59Å; F207-Y218 HydrophobicContact CD2-CG 3.59Å; F207-Y218 HydrophobicContact CE2-CD1 4.44Å; F207-Y218 AromaticContact CE2-CD2 3.68Å; F207-Y218 HydrophobicContact CE2-CD2 3.68Å; F207-Y218 HydrophobicContact CE2-CE2 4Å; F207-Y218 AromaticContact CE2-CG 3.91Å; F207-Y218 HydrophobicContact CE2-CG 3.91Å
208	L	93.3	Very high	91.6	Very high	3 Å²	3	66.4 Å²	66.4	2%	0.016	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-83.8	-11.3	171.8	-61.9	-179.6	0	0	0	113.6	T180 E192 L195 K196 F205 G206 Y218	T180-L208 HydrophobicContact CG2-CD2 4.13Å; E192-L208 HydrophobicContact CG-CD2 4.13Å; L195-L208 HydrophobicContact CB-CD1 3.78Å; K196-L208 HydrophobicContact CB-CB 4.26Å; K196-L208 VanDerWaalsContact CD-O 3.31Å; K196-L208 WeakPolarHBondContact CD-O 3.34Å; K196-L208 VanDerWaalsContact CE-O 3.24Å; K196-L208 WeakPolarHBondContact CE-O 3.31Å; K196-L208 HydrophobicContact CG-CB 4.33Å; K196-L208 PolarHBondContact NZ-O 3.33Å; F205-L208 HydrophobicContact CB-CD1 4.32Å; F205-L208 HydrophobicContact CD1-CD1 4.06Å; F205-L208 WeakPolarHBondContact O-CB 3.41Å; F205-L208 PolarHBondContact O-N 3.43Å; G206-L208 PolarHBondContact O-N 3.11Å; L208-Y218 HydrophobicContact CD2-CD1 4.2Å; L208-Y218 HydrophobicContact CD2-CE1 3.6Å; L208-Y218 HydrophobicContact CD2-CE2 4.34Å
209	T	91.5	Very high	91.6	Very high	57 Å²	57	62.5 Å²	62.5	35%	0.35	32%	0.324	S	S	.	.	S	Bend	trans	-83.1	151	167.6	70	0	0	0	0	110.2	G206 D211 N215	G206-T209 PolarHBondContact O-N 2.98Å; G206-T209 PolarHBondContact O-OG1 2.89Å; T209-D211 VanDerWaalsContact C-N 3.32Å; T209-N215 VanDerWaalsContact O-CB 3.3Å; T209-N215 WeakPolarHBondContact O-CB 3.49Å; T209-N215 PolarHBondContact O-ND2 2.98Å; T209-N215 VanDerWaalsContact O-ND2 3.1Å
210	Y	90.8	Very high	91.5	Very high	156 Å²	156	61.3 Å²	61.3	61%	0.612	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-28.4	-174.3	-62	-64.5	0	0	0	112.1	H212	Y210-H212 VanDerWaalsContact C-N 3.27Å; Y210-H212 PolarHBondContact O-N 3.2Å
211	D	91.6	Very high	91.6	Very high	153 Å²	153	55.5 Å²	55.5	82%	0.818	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-7.1	-176.3	-37.5	-85	0	0	0	112.8	T209	T209-D211 VanDerWaalsContact C-N 3.32Å
212	H	90.8	Very high	91.8	Very high	48 Å²	48	47.1 Å²	47.1	22%	0.222	25%	0.253	C	S	.	.	S	Bend	trans	-82.8	132.5	-177.1	-169.4	-85.9	0	0	0	111.6	G206 F207 Y210 L214 N215	G206-H212 VanDerWaalsContact C-CG 3.47Å; G206-H212 WeakPolarHBondContact O-CB 3.27Å; F207-H212 WeakPolarHBondContact CA-ND1 3.29Å; Y210-H212 VanDerWaalsContact C-N 3.27Å; Y210-H212 PolarHBondContact O-N 3.2Å; H212-L214 PolarHBondContact ND1-N 3.48Å; H212-L214 PolarHBondContact O-N 2.83Å; H212-N215 VanDerWaalsContact O-CB 3.31Å; H212-N215 WeakPolarHBondContact O-CB 3.49Å; H212-N215 PolarHBondContact O-N 3.36Å
213	P	91.3	Very high	91.8	Very high	68 Å²	68	49.5 Å²	49.5	44%	0.442	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.2	-173.7	20.5	-32.8	0	0	0	114.9	Q166 P216	Q166-P213 VanDerWaalsContact OE1-CB 3.3Å; P213-P216 WeakPolarHBondContact O-CD 3.45Å
214	L	92.3	Very high	91.9	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.021	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-1.2	175.1	-55.2	-178.6	0	0	0	114.7	Q166 P168 Q173 I177 F207 H212 F217 Y218	Q166-L214 HydrophobicContact CB-CD2 4.19Å; Q166-L214 HydrophobicContact CG-CD2 3.94Å; Q166-L214 VanDerWaalsContact O-CD2 3.32Å; Q166-L214 WeakPolarHBondContact O-CD2 3.22Å; P168-L214 HydrophobicContact CB-CD1 4.3Å; P168-L214 HydrophobicContact CG-CD1 4.49Å; Q173-L214 HydrophobicContact CG-CD1 4.1Å; Q173-L214 VanDerWaalsContact OE1-CD1 3.3Å; I177-L214 HydrophobicContact CD1-CB 4.38Å; I177-L214 HydrophobicContact CD1-CD1 3.98Å; F207-L214 HydrophobicContact CB-CB 4Å; H212-L214 PolarHBondContact ND1-N 3.48Å; H212-L214 PolarHBondContact O-N 2.83Å; L214-F217 PolarHBondContact O-N 2.62Å; L214-Y218 PolarHBondContact O-N 2.84Å
215	N	92.8	Very high	92	Very high	13 Å²	13	41.4 Å²	41.4	7%	0.07	21%	0.209	C	C	.	.	H	α-helix	trans	-62.4	-44.2	176.7	-170.4	-93.2	0	0	0	112.5	F207 T209 H212 F217 Y218 K219	F207-N215 PolarHBondContact O-ND2 3.05Å; T209-N215 VanDerWaalsContact O-CB 3.3Å; T209-N215 WeakPolarHBondContact O-CB 3.49Å; T209-N215 PolarHBondContact O-ND2 2.98Å; T209-N215 VanDerWaalsContact O-ND2 3.1Å; H212-N215 VanDerWaalsContact O-CB 3.31Å; H212-N215 WeakPolarHBondContact O-CB 3.49Å; H212-N215 PolarHBondContact O-N 3.36Å; N215-F217 PolarHBondContact O-N 3.36Å; N215-Y218 PolarHBondContact O-N 3.35Å; N215-K219 WeakPolarHBondContact O-CB 3.31Å; N215-K219 VanDerWaalsContact O-CG 3.25Å; N215-K219 WeakPolarHBondContact O-CG 3.46Å; N215-K219 PolarHBondContact O-N 3.4Å
216	P	91.8	Very high	91.9	Very high	60 Å²	60	43.3 Å²	43.3	39%	0.39	23%	0.228	S	C	.	.	H	α-helix	trans	-57.8	-43.9	173.4	-26.1	36.7	0	0	0	113.1	F165 P213 K219 E220	F165-P216 HydrophobicContact CD1-CB 3.62Å; F165-P216 HydrophobicContact CE1-CB 3.92Å; P213-P216 WeakPolarHBondContact O-CD 3.45Å; P216-K219 PolarHBondContact O-N 2.93Å; P216-E220 VanDerWaalsContact O-CB 3.31Å; P216-E220 WeakPolarHBondContact O-CB 3.41Å; P216-E220 PolarHBondContact O-N 3.4Å
217	F	91.1	Very high	91.9	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.8	-48.6	174.8	173.7	-87.4	0	0	0	111.2	Y152 L162 F165 P168 I177 L214 N215 K219 E220 I221	Y152-F217 HydrophobicContact CE1-CE2 4.25Å; Y152-F217 HydrophobicContact CE1-CZ 4.03Å; L162-F217 HydrophobicContact CD1-CD2 3.87Å; L162-F217 HydrophobicContact CD1-CE2 3.46Å; L162-F217 VanDerWaalsContact CD1-CE2 3.46Å; L162-F217 HydrophobicContact CD1-CZ 4.4Å; F165-F217 HydrophobicContact CB-CB 4.4Å; P168-F217 VanDerWaalsContact CD-CZ 3.45Å; P168-F217 HydrophobicContact CG-CD1 3.89Å; P168-F217 HydrophobicContact CG-CE1 3.41Å; P168-F217 VanDerWaalsContact CG-CE1 3.41Å; P168-F217 HydrophobicContact CG-CE2 4.27Å; P168-F217 HydrophobicContact CG-CZ 3.64Å; I177-F217 HydrophobicContact CB-CE1 4.37Å; I177-F217 HydrophobicContact CD1-CD1 4.2Å; I177-F217 HydrophobicContact CD1-CE1 4.23Å; I177-F217 HydrophobicContact CG2-CD1 3.88Å; I177-F217 HydrophobicContact CG2-CE1 3.72Å; L214-F217 PolarHBondContact O-N 2.62Å; N215-F217 PolarHBondContact O-N 3.36Å; F217-K219 PolarHBondContact O-N 3.01Å; F217-E220 PolarHBondContact O-N 3.16Å; F217-I221 HydrophobicContact CD1-CG1 4.23Å; F217-I221 HydrophobicContact CE1-CG1 3.88Å; F217-I221 HydrophobicContact CE2-CD1 4.47Å; F217-I221 HydrophobicContact CE2-CG1 4.47Å; F217-I221 HydrophobicContact CZ-CD1 4.17Å; F217-I221 HydrophobicContact CZ-CG1 4.01Å; F217-I221 WeakPolarHBondContact O-CG1 3.42Å; F217-I221 PolarHBondContact O-N 3.49Å
218	Y	93.9	Very high	91.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.4	-47.2	176.2	163.3	-113.3	0	0	0	112.7	I177 T180 A181 V184 E192 F207 L208 L214 N215 E220 I221 V222	I177-Y218 HydrophobicContact CG2-CD2 4.05Å; T180-Y218 HydrophobicContact CG2-CE2 3.98Å; A181-Y218 HydrophobicContact CB-CD2 4.25Å; A181-Y218 HydrophobicContact CB-CE2 4.07Å; V184-Y218 WeakPolarHBondContact CG2-OH 3.27Å; E192-Y218 HydrophobicContact CG-CE1 4.26Å; F207-Y218 HydrophobicContact CD2-CD1 4.04Å; F207-Y218 AromaticContact CD2-CD2 3.85Å; F207-Y218 HydrophobicContact CD2-CD2 3.85Å; F207-Y218 HydrophobicContact CD2-CE2 4.5Å; F207-Y218 AromaticContact CD2-CG 3.59Å; F207-Y218 HydrophobicContact CD2-CG 3.59Å; F207-Y218 HydrophobicContact CE2-CD1 4.44Å; F207-Y218 AromaticContact CE2-CD2 3.68Å; F207-Y218 HydrophobicContact CE2-CD2 3.68Å; F207-Y218 HydrophobicContact CE2-CE2 4Å; F207-Y218 AromaticContact CE2-CG 3.91Å; F207-Y218 HydrophobicContact CE2-CG 3.91Å; L208-Y218 HydrophobicContact CD2-CD1 4.2Å; L208-Y218 HydrophobicContact CD2-CE1 3.6Å; L208-Y218 HydrophobicContact CD2-CE2 4.34Å; L214-Y218 PolarHBondContact O-N 2.84Å; N215-Y218 PolarHBondContact O-N 3.35Å; Y218-E220 VanDerWaalsContact C-N 3.3Å; Y218-E220 PolarHBondContact O-N 2.93Å; Y218-I221 PolarHBondContact O-N 3.07Å; Y218-V222 HydrophobicContact CD2-CG2 4.1Å; Y218-V222 HydrophobicContact CE1-CG2 4.49Å; Y218-V222 HydrophobicContact CE2-CG2 3.57Å; Y218-V222 WeakPolarHBondContact O-CG2 3.41Å; Y218-V222 PolarHBondContact O-N 3.08Å
219	K	93.1	Very high	91.2	Very high	73 Å²	73	59.6 Å²	59.6	32%	0.317	31%	0.307	S	S	.	.	H	α-helix	trans	-61.9	-39.1	178	-68.1	-70.9	175.9	178.4	0	111.7	E192 N215 P216 F217 V222 R223	E192-K219 IonicContact OE1-NZ 2.64Å; E192-K219 PolarHBondContact OE1-NZ 3.13Å; E192-K219 IonicContact OE2-NZ 3.34Å; E192-K219 PolarHBondContact OE2-NZ 3.46Å; N215-K219 WeakPolarHBondContact O-CB 3.31Å; N215-K219 VanDerWaalsContact O-CG 3.25Å; N215-K219 WeakPolarHBondContact O-CG 3.46Å; N215-K219 PolarHBondContact O-N 3.4Å; P216-K219 PolarHBondContact O-N 2.93Å; F217-K219 PolarHBondContact O-N 3.01Å; K219-V222 PolarHBondContact O-N 2.76Å; K219-R223 WeakPolarHBondContact O-CB 3.43Å; K219-R223 PolarHBondContact O-N 2.79Å
220	E	90.6	Very high	91	Very high	21 Å²	21	57.4 Å²	57.4	10%	0.098	29%	0.292	C	S	.	.	H	α-helix	trans	-67.2	-43.8	175.6	-177.5	60.8	-165.9	0	0	111.8	L162 F165 P216 F217 Y218 V222 R223 L224	L162-E220 HydrophobicContact CD2-CB 4.21Å; L162-E220 HydrophobicContact CD2-CG 3.3Å; F165-E220 HydrophobicContact CD2-CB 4.45Å; F165-E220 HydrophobicContact CD2-CG 4.24Å; F165-E220 HydrophobicContact CE2-CB 4.04Å; F165-E220 HydrophobicContact CE2-CG 3.68Å; F165-E220 HydrophobicContact CZ-CB 4.31Å; F165-E220 HydrophobicContact CZ-CG 4.29Å; P216-E220 VanDerWaalsContact O-CB 3.31Å; P216-E220 WeakPolarHBondContact O-CB 3.41Å; P216-E220 PolarHBondContact O-N 3.4Å; F217-E220 PolarHBondContact O-N 3.16Å; Y218-E220 VanDerWaalsContact C-N 3.3Å; Y218-E220 PolarHBondContact O-N 2.93Å; E220-V222 VanDerWaalsContact C-N 3.32Å; E220-V222 PolarHBondContact O-N 3.2Å; E220-R223 CarbonylContact O-C 3.53Å; E220-R223 WeakPolarHBondContact O-CA 3.34Å; E220-R223 VanDerWaalsContact O-CB 3.3Å; E220-R223 WeakPolarHBondContact O-CB 3.2Å; E220-R223 PolarHBondContact O-N 2.84Å; E220-R223 IonicContact OE1-CZ 3.55Å; E220-R223 IonicContact OE1-NE 2.72Å; E220-R223 PolarHBondContact OE1-NE 2.9Å; E220-R223 IonicContact OE1-NH2 3.55Å; E220-R223 PolarHBondContact OE1-NH2 2.92Å; E220-R223 IonicContact OE2-CZ 2.72Å; E220-R223 IonicContact OE2-NE 2.68Å; E220-R223 PolarHBondContact OE2-NE 3.39Å; E220-R223 IonicContact OE2-NH2 3.12Å; E220-L224 HydrophobicContact CG-CD1 4.34Å; E220-L224 HydrophobicContact CG-CG 4.47Å; E220-L224 WeakPolarHBondContact O-CG 3.28Å; E220-L224 PolarHBondContact O-N 2.82Å
221	I	91.8	Very high	90.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.4	-41.4	173.5	-63	-65	0	0	0	111.1	L158 L162 E178 A181 F217 Y218 R223 L224 I225 Y230	L158-I221 HydrophobicContact CD1-CD1 3.73Å; L158-I221 HydrophobicContact CD2-CD1 3.9Å; L158-I221 HydrophobicContact CG-CD1 4.49Å; L162-I221 HydrophobicContact CD1-CD1 4.05Å; E178-I221 HydrophobicContact CG-CG2 4.4Å; A181-I221 HydrophobicContact CB-CB 4.28Å; A181-I221 HydrophobicContact CB-CG2 3.6Å; F217-I221 HydrophobicContact CD1-CG1 4.23Å; F217-I221 HydrophobicContact CE1-CG1 3.88Å; F217-I221 HydrophobicContact CE2-CD1 4.47Å; F217-I221 HydrophobicContact CE2-CG1 4.47Å; F217-I221 HydrophobicContact CZ-CD1 4.17Å; F217-I221 HydrophobicContact CZ-CG1 4.01Å; F217-I221 WeakPolarHBondContact O-CG1 3.42Å; F217-I221 PolarHBondContact O-N 3.49Å; Y218-I221 PolarHBondContact O-N 3.07Å; I221-R223 VanDerWaalsContact C-N 3.32Å; I221-R223 PolarHBondContact O-N 2.83Å; I221-L224 PolarHBondContact O-N 3.43Å; I221-I225 HydrophobicContact CG2-CD1 3.67Å; I221-I225 HydrophobicContact CG2-CG1 4.34Å; I221-I225 VanDerWaalsContact O-CG1 3.27Å; I221-I225 WeakPolarHBondContact O-CG1 3.38Å; I221-I225 PolarHBondContact O-N 3.27Å; I221-Y230 HydrophobicContact CD1-CD1 4.26Å; I221-Y230 HydrophobicContact CD1-CE1 4.08Å; I221-Y230 HydrophobicContact CG2-CD1 4.19Å; I221-Y230 HydrophobicContact CG2-CE1 4.08Å
222	V	92.9	Very high	90.2	Very high	25 Å²	25	49.4 Å²	49.4	15%	0.152	27%	0.265	C	S	.	.	H	α-helix	trans	-60.5	-40.8	172.3	172.1	0	0	0	0	111.4	A181 Y218 K219 E220 S226	A181-V222 HydrophobicContact CB-CG2 3.61Å; Y218-V222 HydrophobicContact CD2-CG2 4.1Å; Y218-V222 HydrophobicContact CE1-CG2 4.49Å; Y218-V222 HydrophobicContact CE2-CG2 3.57Å; Y218-V222 WeakPolarHBondContact O-CG2 3.41Å; Y218-V222 PolarHBondContact O-N 3.08Å; K219-V222 PolarHBondContact O-N 2.76Å; E220-V222 VanDerWaalsContact C-N 3.32Å; E220-V222 PolarHBondContact O-N 3.2Å; V222-S226 VanDerWaalsContact O-CB 3.31Å; V222-S226 WeakPolarHBondContact O-CB 3.37Å; V222-S226 PolarHBondContact O-N 2.76Å; V222-S226 PolarHBondContact O-OG 2.99Å
223	R	92.3	Very high	89.5	Confident	97 Å²	97	52.8 Å²	52.8	37%	0.366	28%	0.28	S	S	.	.	H	α-helix	trans	-63.3	-43.1	175.8	-164	-172.6	71	75.1	-5.3	111.9	K219 E220 I221 S226 Q227	K219-R223 WeakPolarHBondContact O-CB 3.43Å; K219-R223 PolarHBondContact O-N 2.79Å; E220-R223 CarbonylContact O-C 3.53Å; E220-R223 WeakPolarHBondContact O-CA 3.34Å; E220-R223 VanDerWaalsContact O-CB 3.3Å; E220-R223 WeakPolarHBondContact O-CB 3.2Å; E220-R223 PolarHBondContact O-N 2.84Å; E220-R223 IonicContact OE1-CZ 3.55Å; E220-R223 IonicContact OE1-NE 2.72Å; E220-R223 PolarHBondContact OE1-NE 2.9Å; E220-R223 IonicContact OE1-NH2 3.55Å; E220-R223 PolarHBondContact OE1-NH2 2.92Å; E220-R223 IonicContact OE2-CZ 2.72Å; E220-R223 IonicContact OE2-NE 2.68Å; E220-R223 PolarHBondContact OE2-NE 3.39Å; E220-R223 IonicContact OE2-NH2 3.12Å; I221-R223 VanDerWaalsContact C-N 3.32Å; I221-R223 PolarHBondContact O-N 2.83Å; R223-S226 WeakPolarHBondContact CA-OG 3.28Å; R223-S226 PolarHBondContact O-OG 3.48Å; R223-S226 VanDerWaalsContact O-OG 3.09Å; R223-Q227 WeakPolarHBondContact O-CB 3.43Å; R223-Q227 VanDerWaalsContact O-CG 3.26Å; R223-Q227 WeakPolarHBondContact O-CG 3.46Å; R223-Q227 PolarHBondContact O-N 3.36Å
224	L	91.3	Very high	88.3	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-71.5	-37.2	-179.5	-63.9	178.9	0	0	0	112.6	L158 L161 L162 E220 I221 G228 R229 Y230	L158-L224 HydrophobicContact CD2-CD1 3.65Å; L161-L224 HydrophobicContact CB-CD1 4.38Å; L161-L224 HydrophobicContact CD2-CD1 4.28Å; L161-L224 HydrophobicContact CD2-CD2 3.48Å; L161-L224 VanDerWaalsContact CD2-CD2 3.48Å; L162-L224 HydrophobicContact CD2-CD1 4.16Å; E220-L224 HydrophobicContact CG-CD1 4.34Å; E220-L224 HydrophobicContact CG-CG 4.47Å; E220-L224 WeakPolarHBondContact O-CG 3.28Å; E220-L224 PolarHBondContact O-N 2.82Å; I221-L224 PolarHBondContact O-N 3.43Å; L224-G228 PolarHBondContact O-N 3.29Å; L224-R229 HydrophobicContact CD2-CB 4.35Å; L224-R229 PolarHBondContact O-N 2.91Å; L224-Y230 PolarHBondContact O-N 3.36Å
225	I	92.3	Very high	86.9	Confident	29 Å²	29	58.2 Å²	58.2	15%	0.149	31%	0.307	C	S	.	.	H	α-helix	trans	-70.4	-44	175.2	-63	165.5	0	0	0	110.9	A181 V182 S185 I221 Q227 G228 Y230 P232	A181-I225 HydrophobicContact CB-CD1 3.8Å; V182-I225 HydrophobicContact CG2-CD1 3.82Å; S185-I225 WeakPolarHBondContact OG-CG2 3.31Å; I221-I225 HydrophobicContact CG2-CD1 3.67Å; I221-I225 HydrophobicContact CG2-CG1 4.34Å; I221-I225 VanDerWaalsContact O-CG1 3.27Å; I221-I225 WeakPolarHBondContact O-CG1 3.38Å; I221-I225 PolarHBondContact O-N 3.27Å; I225-Q227 VanDerWaalsContact C-N 3.28Å; I225-Q227 PolarHBondContact O-N 3.39Å; I225-G228 PolarHBondContact O-N 3.49Å; I225-Y230 HydrophobicContact CD1-CD1 4.43Å; I225-Y230 HydrophobicContact CG1-CD1 3.94Å; I225-P232 HydrophobicContact CD1-CG 3.88Å; I225-P232 HydrophobicContact CG1-CG 4.39Å
226	S	90.3	Very high	84.9	Confident	82 Å²	82	66.8 Å²	66.8	57%	0.573	35%	0.346	S	S	*	.	H	α-helix	trans	-66.8	-27.6	177.8	55.8	0	0	0	0	113.4	V222 R223 G228	V222-S226 VanDerWaalsContact O-CB 3.31Å; V222-S226 WeakPolarHBondContact O-CB 3.37Å; V222-S226 PolarHBondContact O-N 2.76Å; V222-S226 PolarHBondContact O-OG 2.99Å; R223-S226 WeakPolarHBondContact CA-OG 3.28Å; R223-S226 PolarHBondContact O-OG 3.48Å; R223-S226 VanDerWaalsContact O-OG 3.09Å; S226-G228 VanDerWaalsContact C-N 3.3Å
227	Q	90.8	Very high	82.8	Confident	115 Å²	115	69.3 Å²	69.3	54%	0.537	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-4.1	168.6	-70.3	-176.1	-3.1	0	0	114.1	R223 I225 R229	R223-Q227 WeakPolarHBondContact O-CB 3.43Å; R223-Q227 VanDerWaalsContact O-CG 3.26Å; R223-Q227 WeakPolarHBondContact O-CG 3.46Å; R223-Q227 PolarHBondContact O-N 3.36Å; I225-Q227 VanDerWaalsContact C-N 3.28Å; I225-Q227 PolarHBondContact O-N 3.39Å; Q227-R229 HydrophobicContact CB-CB 4.49Å; Q227-R229 HydrophobicContact CB-CG 3.84Å; Q227-R229 PolarHBondContact O-N 2.87Å
228	G	86.8	Confident	80.4	Confident	58 Å²	58	73 Å²	73	60%	0.598	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	18.5	-175.1	0	0	0	0	0	114.2	L224 I225 S226	L224-G228 PolarHBondContact O-N 3.29Å; I225-G228 PolarHBondContact O-N 3.49Å; S226-G228 VanDerWaalsContact C-N 3.3Å
229	R	85.8	Confident	78	Confident	191 Å²	191	80.8 Å²	80.8	72%	0.721	43%	0.433	S	S	*	.	S	Bend	trans	-87.1	-19.9	-179.1	-65.7	-71.3	-72.3	-176.2	-3.5	112.6	L224 Q227	L224-R229 HydrophobicContact CD2-CB 4.35Å; L224-R229 PolarHBondContact O-N 2.91Å; Q227-R229 HydrophobicContact CB-CB 4.49Å; Q227-R229 HydrophobicContact CB-CG 3.84Å; Q227-R229 PolarHBondContact O-N 2.87Å
230	Y	86.5	Confident	75.3	Confident	11 Å²	11	86.2 Å²	86.2	4%	0.043	46%	0.457	C	S	.	.			trans	-135.3	138.8	176.6	177.4	-122.5	0	0	0	110.4	L158 E178 I221 L224 I225 P232	L158-Y230 HydrophobicContact CD1-CD2 4.4Å; L158-Y230 HydrophobicContact CD1-CE1 4.05Å; L158-Y230 HydrophobicContact CD1-CE2 3.85Å; L158-Y230 HydrophobicContact CD2-CD1 4.06Å; L158-Y230 HydrophobicContact CD2-CD2 3.74Å; L158-Y230 HydrophobicContact CD2-CE1 4.32Å; L158-Y230 HydrophobicContact CD2-CE2 4.05Å; L158-Y230 HydrophobicContact CD2-CG 3.78Å; L158-Y230 HydrophobicContact CG-CD2 4Å; L158-Y230 HydrophobicContact CG-CE2 3.84Å; L158-Y230 HydrophobicContact CG-CG 4.48Å; E178-Y230 HydrophobicContact CG-CE1 4.27Å; E178-Y230 PolarHBondContact OE1-OH 3.27Å; E178-Y230 PolarHBondContact OE2-OH 2.81Å; I221-Y230 HydrophobicContact CD1-CD1 4.26Å; I221-Y230 HydrophobicContact CD1-CE1 4.08Å; I221-Y230 HydrophobicContact CG2-CD1 4.19Å; I221-Y230 HydrophobicContact CG2-CE1 4.08Å; L224-Y230 PolarHBondContact O-N 3.36Å; I225-Y230 HydrophobicContact CD1-CD1 4.43Å; I225-Y230 HydrophobicContact CG1-CD1 3.94Å; Y230-P232 HydrophobicContact CD1-CG 4.17Å; Y230-P232 HydrophobicContact CE1-CB 4.44Å; Y230-P232 HydrophobicContact CE1-CG 3.58Å
231	V	85.8	Confident	72.7	Confident	109 Å²	109	91.1 Å²	91.1	66%	0.661	49%	0.49	S	S	*	.			trans	-133.5	105.2	178.5	-179.4	0	0	0	0	107.7	K233	V231-K233 PolarHBondContact O-N 3.04Å
232	P	80.6	Confident	69.9	Low	31 Å²	31	96 Å²	96	20%	0.201	53%	0.531	C	S	.	.			trans	-56.3	130.3	179.8	-30.7	37.7	0	0	0	112.7	E178 V182 I225 Y230	E178-P232 HydrophobicContact CB-CB 4.23Å; E178-P232 HydrophobicContact CB-CG 4.19Å; E178-P232 HydrophobicContact CG-CG 4.35Å; V182-P232 HydrophobicContact CG2-CB 4.27Å; V182-P232 HydrophobicContact CG2-CG 3.63Å; I225-P232 HydrophobicContact CD1-CG 3.88Å; I225-P232 HydrophobicContact CG1-CG 4.39Å; Y230-P232 HydrophobicContact CD1-CG 4.17Å; Y230-P232 HydrophobicContact CE1-CB 4.44Å; Y230-P232 HydrophobicContact CE1-CG 3.58Å
233	K	75	Confident	67	Low	120 Å²	120	98.1 Å²	98.1	52%	0.522	56%	0.558	S	S	.	*			trans	-85.1	137.4	175.7	-67.2	160.9	-176.6	154.8	0	108.6	E157 V231 R235	E157-K233 IonicContact OE1-NZ 3.9Å; E157-K233 PolarHBondContact OE1-NZ 2.7Å; E157-K233 IonicContact OE2-NZ 3.24Å; E157-K233 PolarHBondContact OE2-NZ 2.86Å; V231-K233 PolarHBondContact O-N 3.04Å; K233-R235 PolarHBondContact O-N 2.71Å
234	P	66.9	Low	64.4	Low	122 Å²	122	99.9 Å²	99.9	79%	0.792	58%	0.579	S	S	*	*			trans	-69.6	95.7	178.9	28.6	-33.8	0	0	0	110.2	Q236	P234-Q236 PolarHBondContact O-N 3.27Å
235	R	62.1	Low	61.6	Low	64 Å²	64	106.2 Å²	106.2	24%	0.242	61%	0.612	C	S	.	*			trans	-60.7	127.5	168.9	-82.3	174.4	-84	-177.7	0.1	109.4	D171 E178 K233 T237	D171-R235 WeakPolarHBondContact OD1-CD 3.47Å; D171-R235 IonicContact OD1-CZ 2.64Å; D171-R235 IonicContact OD1-NH1 3.84Å; D171-R235 PolarHBondContact OD1-NH1 3.1Å; D171-R235 WeakPolarHBondContact OD2-CD 3.15Å; D171-R235 IonicContact OD2-CZ 3.83Å; D171-R235 IonicContact OD2-NE 3.05Å; D171-R235 IonicContact OD2-NH1 2.94Å; D171-R235 PolarHBondContact OD2-NH1 3Å; E178-R235 IonicContact OE1-CZ 3.48Å; E178-R235 IonicContact OE1-NH2 2.68Å; E178-R235 PolarHBondContact OE1-NH2 3.43Å; E178-R235 IonicContact OE2-CZ 2.68Å; E178-R235 IonicContact OE2-NH2 3.32Å; E178-R235 PolarHBondContact OE2-NH2 3.1Å; K233-R235 PolarHBondContact O-N 2.71Å; R235-T237 PolarHBondContact O-N 2.8Å
236	Q	51.6	Low	59	Low	192 Å²	192	113.1 Å²	113.1	90%	0.897	64%	0.642	S	S	*	*			trans	-85.7	102.6	-179.7	-63.6	-179.9	10.9	0	0	109	P234 A238	P234-Q236 PolarHBondContact O-N 3.27Å; Q236-A238 PolarHBondContact O-N 2.85Å
237	T	46.9	Very low	56.3	Low	113 Å²	113	114.7 Å²	114.7	69%	0.693	65%	0.648	S	S	*	*			trans	-75.9	106.1	163.6	52	0	0	0	0	107.9	R235	R235-T237 PolarHBondContact O-N 2.8Å
238	A	40.4	Very low	53.5	Low	78 Å²	78	114.2 Å²	114.2	65%	0.645	66%	0.657	S	S	*	*			trans	-64	162.4	169.3	0	0	0	0	0	111	Q236	Q236-A238 PolarHBondContact O-N 2.85Å
239	D	44.1	Very low	51	Low	164 Å²	164	115.6 Å²	115.6	88%	0.877	66%	0.663	S	S	*	*			trans	64.3	111.6	170.5	-52	-26.1	0	0	0	117.4
240	K	36.6	Very low	48.6	Very low	187 Å²	187	113.2 Å²	113.2	81%	0.813	67%	0.665	S	S	*	*			trans	-110.8	145	164.6	-102.2	-179.5	176.1	178.3	0	107.3
241	P	35.7	Very low	46.4	Very low	123 Å²	123	121.6 Å²	121.6	80%	0.799	70%	0.704	S	S	*	*				-141.1	159.2	98.5	37.9	-25.9	0	0	0	115.3
242	A	33.5	Very low	44.2	Very low	104 Å²	104	121.7 Å²	121.7	86%	0.86	71%	0.71	S	S	*	*	S	Bend	trans	38.6	100.4	154.5	0	0	0	0	0	119.9
243	G	32.1	Very low	42	Very low	69 Å²	69	126.9 Å²	126.9	71%	0.711	74%	0.736	S	S	*	*			trans	142.6	123.9	149.1	0	0	0	0	0	116.9
244	T	36.7	Very low	40.4	Very low	134 Å²	134	130.5 Å²	130.5	82%	0.822	75%	0.752	S	S	*	*	S	Bend	trans	75	121.6	155	-45	0	0	0	0	118.9
245	L	34.2	Very low	38.7	Very low	135 Å²	135	130.5 Å²	130.5	71%	0.707	76%	0.755	S	S	*	*	S	Bend	trans	63.9	118.7	165.9	-101.6	65.3	0	0	0	119.7
246	F	36.5	Very low	37.7	Very low	174 Å²	174	133.9 Å²	133.9	76%	0.763	78%	0.776	S	S	*	*	S	Bend	trans	69.7	113	166.5	-76.6	-94.2	0	0	0	119.4
247	T	34.1	Very low	37	Very low	115 Å²	115	131.3 Å²	131.3	71%	0.706	76%	0.764	S	S	*	*			trans	74.8	99.4	151.6	53.6	0	0	0	0	120.9
248	S	31.5	Very low	36.6	Very low	104 Å²	104	134.7 Å²	134.7	73%	0.727	77%	0.772	S	S	*	*				71.6	147.1	121.2	66.4	0	0	0	0	124
249	A	33.6	Very low	36.4	Very low	88 Å²	88	135.7 Å²	135.7	73%	0.727	77%	0.766	S	S	*	*			trans	94.6	161.5	146.7	0	0	0	0	0	119.8
250	D	35.6	Very low	36.3	Very low	141 Å²	141	132 Å²	132	75%	0.754	75%	0.749	S	S	*	*			trans	73.4	141.9	-168.2	-58.7	-42.5	0	0	0	115.8
251	E	40.1	Very low	36.5	Very low	186 Å²	186	132 Å²	132	87%	0.869	75%	0.746	S	S	*	*			cis	-113.9	159.9	2.3	-70.6	-168.6	134.1	0	0	110.8
252	S	39.9	Very low	37.4	Very low	112 Å²	112	132.2 Å²	132.2	78%	0.783	74%	0.736	S	S	*	*			cis	-152.5	127.1	48.6	57.7	0	0	0	0	114.3
253	N	35.5	Very low	37.8	Very low	139 Å²	139	134.8 Å²	134.8	74%	0.743	73%	0.734	S	S	*	*			trans	-84.9	137.7	175.2	-72.2	-70.6	0	0	0	112
254	K	40.1	Very low	39	Very low	196 Å²	196	139.4 Å²	139.4	85%	0.852	74%	0.735	S	S	*	*			trans	-136.2	105.3	154.9	-84.2	-160.9	173.1	-173.2	0	110.8	I256	K254-I256 PolarHBondContact O-N 2.72Å
255	S	32.4	Very low	39.9	Very low	123 Å²	123	140 Å²	140	86%	0.86	73%	0.732	S	S	*	*			trans	-76.4	98.9	169.2	52.4	0	0	0	0	110.8
256	I	40.4	Very low	41	Very low	135 Å²	135	138.7 Å²	138.7	69%	0.692	73%	0.732	S	S	*	*			trans	-143.4	120.6	158.6	-53.8	177.4	0	0	0	103.8	K254	K254-I256 PolarHBondContact O-N 2.72Å
257	H	36.5	Very low	42.2	Very low	137 Å²	137	140.4 Å²	140.4	63%	0.634	74%	0.739	S	S	*	*			cis	-162.3	-170.8	-4.3	167.5	-109.5	0	0	0	105.4	D259	H257-D259 IonicContact CE1-OD2 3.51Å; H257-D259 IonicContact CG-OD2 2.67Å; H257-D259 IonicContact ND1-OD2 2.97Å; H257-D259 PolarHBondContact ND1-OD2 2.65Å; H257-D259 PolarHBondContact O-N 3.1Å
258	E	38.4	Very low	43.5	Very low	185 Å²	185	139.9 Å²	139.9	86%	0.864	74%	0.735	S	S	*	*	S	Bend	trans	-71.6	71	159.5	-72.3	-162.7	125.8	0	0	110.4
259	D	36.2	Very low	45.3	Very low	98 Å²	98	139.5 Å²	139.5	52%	0.524	73%	0.725	S	S	.	*			trans	-127.7	135.8	174.7	-85.4	-66	0	0	0	111.2	H257 Y261	H257-D259 IonicContact CE1-OD2 3.51Å; H257-D259 IonicContact CG-OD2 2.67Å; H257-D259 IonicContact ND1-OD2 2.97Å; H257-D259 PolarHBondContact ND1-OD2 2.65Å; H257-D259 PolarHBondContact O-N 3.1Å; D259-Y261 HydrophobicContact CB-CD2 4.22Å; D259-Y261 HydrophobicContact CB-CE2 4.36Å; D259-Y261 PolarHBondContact O-N 3.44Å
260	V	41.9	Very low	47	Very low	86 Å²	86	139.6 Å²	139.6	52%	0.521	71%	0.712	S	S	.	*			trans	-72.7	83.8	173.4	177.8	0	0	0	0	108.5	E262 Q594	V260-E262 HydrophobicContact CG1-CB 4.45Å; V260-E262 PolarHBondContact O-N 2.86Å; V260-Q594 HydrophobicContact CG1-CG 3.72Å; V260-Q594 HydrophobicContact CG2-CG 4.17Å
261	Y	41.6	Very low	48.8	Very low	189 Å²	189	136 Å²	136	74%	0.741	70%	0.698	S	S	*	*			trans	-70.1	72.5	164.7	-94.7	-84.1	0	0	0	109.9	D259 L263	D259-Y261 HydrophobicContact CB-CD2 4.22Å; D259-Y261 HydrophobicContact CB-CE2 4.36Å; D259-Y261 PolarHBondContact O-N 3.44Å; Y261-L263 PolarHBondContact O-N 3.45Å
262	E	53.9	Low	50.3	Low	126 Å²	126	133.7 Å²	133.7	59%	0.589	69%	0.692	S	S	*	*			trans	-53.7	107.8	162.4	-178.1	-177.6	-113.2	0	0	107.7	V260 K264	V260-E262 HydrophobicContact CG1-CB 4.45Å; V260-E262 PolarHBondContact O-N 2.86Å; E262-K264 HydrophobicContact CG-CG 4.45Å; E262-K264 PolarHBondContact O-N 3.43Å; E262-K264 WeakPolarHBondContact OE2-CE 3.49Å; E262-K264 IonicContact OE2-NZ 2.9Å; E262-K264 PolarHBondContact OE2-NZ 2.62Å
263	L	43.6	Very low	52.2	Low	158 Å²	158	131 Å²	131	83%	0.827	67%	0.671	S	S	*	*			trans	-67.7	81.2	176.8	-80.5	171.1	0	0	0	109.4	Y261 L265	Y261-L263 PolarHBondContact O-N 3.45Å; L263-L265 PolarHBondContact O-N 2.97Å
264	K	55.6	Low	54.4	Low	167 Å²	167	129.9 Å²	129.9	73%	0.726	67%	0.674	S	S	*	*			trans	-63.3	81.9	161.5	-73.6	-179	171	98.4	0	107.6	E262	E262-K264 HydrophobicContact CG-CG 4.45Å; E262-K264 PolarHBondContact O-N 3.43Å; E262-K264 WeakPolarHBondContact OE2-CE 3.49Å; E262-K264 IonicContact OE2-NZ 2.9Å; E262-K264 PolarHBondContact OE2-NZ 2.62Å
265	L	56	Low	56.3	Low	146 Å²	146	128.2 Å²	128.2	76%	0.764	66%	0.663	S	S	*	*			trans	-38.2	128.8	163	-73.4	167.6	0	0	0	107.3	L263 K267	L263-L265 PolarHBondContact O-N 2.97Å; L265-K267 PolarHBondContact O-N 3.1Å; L265-K267 VanDerWaalsContact O-N 3.1Å
266	P	57.1	Low	58.8	Low	107 Å²	107	123.3 Å²	123.3	70%	0.695	63%	0.63	S	S	*	*			trans	-51.6	127.4	178.4	-25.8	33.9	0	0	0	108.5	V268	P266-V268 HydrophobicContact CB-CG2 4.1Å; P266-V268 PolarHBondContact O-N 2.86Å
267	K	63	Low	60.7	Low	211 Å²	211	121 Å²	121	92%	0.917	62%	0.624	S	S	*	*			trans	-69.9	71.4	170.9	-70.5	-174.1	177.8	-177.8	0	108	L265 D269	L265-K267 PolarHBondContact O-N 3.1Å; L265-K267 VanDerWaalsContact O-N 3.1Å; K267-D269 PolarHBondContact O-N 3.46Å; K267-D269 VanDerWaalsContact O-N 3.09Å
268	V	59.7	Low	62.9	Low	103 Å²	103	118.6 Å²	118.6	62%	0.624	62%	0.616	S	S	*	*			trans	-64.1	108.5	172.1	-179.6	0	0	0	0	105.5	P266 I270	P266-V268 HydrophobicContact CB-CG2 4.1Å; P266-V268 PolarHBondContact O-N 2.86Å; V268-I270 VanDerWaalsContact C-N 3.29Å; V268-I270 PolarHBondContact O-N 3.4Å
269	D	70.5	Confident	64.9	Low	97 Å²	97	113.2 Å²	113.2	52%	0.519	59%	0.592	S	S	.	*			trans	-71.8	92.7	177.4	-177.2	17	0	0	0	109.8	K267 S271 N272	K267-D269 PolarHBondContact O-N 3.46Å; K267-D269 VanDerWaalsContact O-N 3.09Å; D269-S271 PolarHBondContact O-N 2.9Å; D269-S271 VanDerWaalsContact O-N 3.1Å; D269-S271 WeakPolarHBondContact OD1-CB 3.16Å; D269-S271 PolarHBondContact OD1-N 3.5Å; D269-S271 PolarHBondContact OD1-OG 2.81Å; D269-S271 PolarHBondContact OD2-OG 3.24Å; D269-N272 PolarHBondContact O-N 3.37Å; D269-N272 PolarHBondContact OD2-ND2 3.26Å
270	I	68.6	Low	67.1	Low	89 Å²	89	112.3 Å²	112.3	46%	0.456	59%	0.594	S	S	.	*	G	3₁₀ helix	trans	-61.8	-9.1	176.2	45.9	173.4	0	0	0	113.2	V268 N272 T273 A276 I279	V268-I270 VanDerWaalsContact C-N 3.29Å; V268-I270 PolarHBondContact O-N 3.4Å; I270-N272 PolarHBondContact O-N 3.14Å; I270-T273 HydrophobicContact CG2-CG2 4.45Å; I270-T273 PolarHBondContact O-N 2.79Å; I270-T273 PolarHBondContact O-OG1 3.27Å; I270-A276 VanDerWaalsContact O-CB 3.29Å; I270-A276 WeakPolarHBondContact O-CB 3.1Å; I270-I279 HydrophobicContact CB-CD1 4.48Å; I270-I279 HydrophobicContact CD1-CD1 4.22Å; I270-I279 HydrophobicContact CD1-CG2 4.31Å
271	S	73.7	Confident	69.2	Low	66 Å²	66	115.2 Å²	115.2	46%	0.462	60%	0.599	S	S	.	*	G	3₁₀ helix	trans	-58.7	-26.8	172.9	83	0	0	0	0	113.5	D269 A276	D269-S271 PolarHBondContact O-N 2.9Å; D269-S271 VanDerWaalsContact O-N 3.1Å; D269-S271 WeakPolarHBondContact OD1-CB 3.16Å; D269-S271 PolarHBondContact OD1-N 3.5Å; D269-S271 PolarHBondContact OD1-OG 2.81Å; D269-S271 PolarHBondContact OD2-OG 3.24Å; S271-A276 WeakPolarHBondContact O-CB 3.35Å
272	N	71.5	Confident	71.2	Confident	138 Å²	138	111.4 Å²	111.4	74%	0.738	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-96.7	19	-178.6	-65.1	-75.2	0	0	0	113.2	D269 I270	D269-N272 PolarHBondContact O-N 3.37Å; D269-N272 PolarHBondContact OD2-ND2 3.26Å; I270-N272 PolarHBondContact O-N 3.14Å
273	T	80.7	Confident	72.7	Confident	55 Å²	55	111.7 Å²	111.7	34%	0.337	59%	0.586	S	S	.	*	S	Bend	trans	-103.7	156.1	177.6	66.9	0	0	0	0	111.7	I270 Y275 A276	I270-T273 HydrophobicContact CG2-CG2 4.45Å; I270-T273 PolarHBondContact O-N 2.79Å; I270-T273 PolarHBondContact O-OG1 3.27Å; T273-Y275 PolarHBondContact O-N 3.43Å; T273-A276 VanDerWaalsContact O-CB 3.22Å; T273-A276 WeakPolarHBondContact O-CB 3.13Å; T273-A276 PolarHBondContact O-N 2.82Å; T273-A276 PolarHBondContact OG1-N 2.89Å
274	S	80.2	Confident	74.8	Confident	116 Å²	116	110.4 Å²	110.4	81%	0.811	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.3	-25.3	172	-32	0	0	0	0	113
275	Y	80.2	Confident	76.3	Confident	160 Å²	160	107.3 Å²	107.3	63%	0.627	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	-6.8	179.1	-62	-80.5	0	0	0	113.7	T273 P277 L278 I279	T273-Y275 PolarHBondContact O-N 3.43Å; Y275-P277 VanDerWaalsContact C-CD 3.48Å; Y275-L278 HydrophobicContact CD1-CD2 4.41Å; Y275-L278 WeakPolarHBondContact O-CB 3.36Å; Y275-L278 PolarHBondContact O-N 2.87Å; Y275-L278 VanDerWaalsContact O-N 3.07Å; Y275-I279 WeakPolarHBondContact O-CG1 3.39Å; Y275-I279 PolarHBondContact O-N 3.28Å
276	A	84.9	Confident	77.5	Confident	20 Å²	20	105.5 Å²	105.5	17%	0.165	56%	0.555	C	S	.	*	H	α-helix	trans	-54.6	-43	-179.6	0	0	0	0	0	114.2	I270 S271 T273 L278 I279 S280	I270-A276 VanDerWaalsContact O-CB 3.29Å; I270-A276 WeakPolarHBondContact O-CB 3.1Å; S271-A276 WeakPolarHBondContact O-CB 3.35Å; T273-A276 VanDerWaalsContact O-CB 3.22Å; T273-A276 WeakPolarHBondContact O-CB 3.13Å; T273-A276 PolarHBondContact O-N 2.82Å; T273-A276 PolarHBondContact OG1-N 2.89Å; A276-L278 VanDerWaalsContact C-N 3.32Å; A276-L278 PolarHBondContact O-N 2.7Å; A276-I279 PolarHBondContact O-N 2.94Å; A276-S280 VanDerWaalsContact O-CB 3.29Å; A276-S280 WeakPolarHBondContact O-CB 3.17Å; A276-S280 PolarHBondContact O-N 2.85Å
277	P	81.2	Confident	78.7	Confident	86 Å²	86	105.9 Å²	105.9	56%	0.558	55%	0.547	S	S	*	.	H	α-helix	trans	-66.7	-34.9	177.4	-19.3	33.9	0	0	0	112.1	Y275 K281	Y275-P277 VanDerWaalsContact C-CD 3.48Å; P277-K281 WeakPolarHBondContact O-CG 3.3Å; P277-K281 PolarHBondContact O-N 2.76Å
278	L	81.4	Confident	79.6	Confident	88 Å²	88	101.5 Å²	101.5	46%	0.461	53%	0.532	S	S	.	.	H	α-helix	trans	-68.5	-46.9	177.1	-172.2	107.7	0	0	0	110.9	Y275 A276 S280 K281 F282	Y275-L278 HydrophobicContact CD1-CD2 4.41Å; Y275-L278 WeakPolarHBondContact O-CB 3.36Å; Y275-L278 PolarHBondContact O-N 2.87Å; Y275-L278 VanDerWaalsContact O-N 3.07Å; A276-L278 VanDerWaalsContact C-N 3.32Å; A276-L278 PolarHBondContact O-N 2.7Å; L278-S280 VanDerWaalsContact C-N 3.31Å; L278-S280 PolarHBondContact O-N 3.03Å; L278-K281 WeakPolarHBondContact O-CB 3.29Å; L278-K281 PolarHBondContact O-N 3.11Å; L278-F282 HydrophobicContact CD1-CE2 4.24Å; L278-F282 HydrophobicContact CD2-CD2 4.03Å; L278-F282 HydrophobicContact CD2-CE2 3.86Å; L278-F282 HydrophobicContact CG-CD2 3.9Å; L278-F282 HydrophobicContact CG-CE2 3.82Å; L278-F282 WeakPolarHBondContact O-CD2 3.48Å; L278-F282 PolarHBondContact O-N 2.69Å
279	I	81.1	Confident	80.6	Confident	71 Å²	71	99.2 Å²	99.2	36%	0.364	52%	0.524	S	S	.	.	H	α-helix	trans	-62.8	-39.4	176.8	-64.3	164.2	0	0	0	110.5	I270 Y275 A276 F282 K283	I270-I279 HydrophobicContact CB-CD1 4.48Å; I270-I279 HydrophobicContact CD1-CD1 4.22Å; I270-I279 HydrophobicContact CD1-CG2 4.31Å; Y275-I279 WeakPolarHBondContact O-CG1 3.39Å; Y275-I279 PolarHBondContact O-N 3.28Å; A276-I279 PolarHBondContact O-N 2.94Å; I279-F282 PolarHBondContact O-N 3.47Å; I279-K283 WeakPolarHBondContact O-CB 3.33Å; I279-K283 PolarHBondContact O-N 3.21Å
280	S	82.6	Confident	81	Confident	80 Å²	80	97.5 Å²	97.5	56%	0.559	52%	0.523	S	S	*	.	H	α-helix	trans	-63.5	-44	173.7	-172.8	0	0	0	0	112.2	A276 L278 K283 K284	A276-S280 VanDerWaalsContact O-CB 3.29Å; A276-S280 WeakPolarHBondContact O-CB 3.17Å; A276-S280 PolarHBondContact O-N 2.85Å; L278-S280 VanDerWaalsContact C-N 3.31Å; L278-S280 PolarHBondContact O-N 3.03Å; S280-K283 PolarHBondContact O-N 3.38Å; S280-K284 WeakPolarHBondContact O-CB 3.49Å; S280-K284 PolarHBondContact O-N 3.25Å
281	K	86.4	Confident	81.5	Confident	146 Å²	146	96 Å²	96	64%	0.635	52%	0.524	S	S	*	.	H	α-helix	trans	-58.9	-51.3	172.3	-77.2	176.5	177.7	-175.9	0	111.7	P277 L278 K283 K284 I285	P277-K281 WeakPolarHBondContact O-CG 3.3Å; P277-K281 PolarHBondContact O-N 2.76Å; L278-K281 WeakPolarHBondContact O-CB 3.29Å; L278-K281 PolarHBondContact O-N 3.11Å; K281-K283 PolarHBondContact O-N 3.09Å; K281-K284 PolarHBondContact O-N 2.91Å; K281-I285 VanDerWaalsContact O-CG1 3.28Å; K281-I285 WeakPolarHBondContact O-CG1 3.45Å; K281-I285 PolarHBondContact O-N 3.38Å
282	F	84.4	Confident	81.7	Confident	110 Å²	110	97 Å²	97	48%	0.482	53%	0.527	S	S	.	.	H	α-helix	trans	-61.6	-40.9	178.5	-86.2	-67.9	0	0	0	112.8	L278 I279 I285 N286	L278-F282 HydrophobicContact CD1-CE2 4.24Å; L278-F282 HydrophobicContact CD2-CD2 4.03Å; L278-F282 HydrophobicContact CD2-CE2 3.86Å; L278-F282 HydrophobicContact CG-CD2 3.9Å; L278-F282 HydrophobicContact CG-CE2 3.82Å; L278-F282 WeakPolarHBondContact O-CD2 3.48Å; L278-F282 PolarHBondContact O-N 2.69Å; I279-F282 PolarHBondContact O-N 3.47Å; F282-I285 PolarHBondContact O-N 2.85Å; F282-N286 WeakPolarHBondContact O-CB 3.5Å; F282-N286 PolarHBondContact O-N 3.39Å
283	K	84.6	Confident	81.9	Confident	131 Å²	131	92.5 Å²	92.5	57%	0.57	51%	0.509	S	S	*	.	H	α-helix	trans	-60	-50.8	173.8	-173.1	-174.3	169.1	-169.6	0	110.4	I279 S280 K281 I285 N286 E287	I279-K283 WeakPolarHBondContact O-CB 3.33Å; I279-K283 PolarHBondContact O-N 3.21Å; S280-K283 PolarHBondContact O-N 3.38Å; K281-K283 PolarHBondContact O-N 3.09Å; K283-I285 VanDerWaalsContact C-N 3.32Å; K283-I285 PolarHBondContact O-N 2.78Å; K283-N286 PolarHBondContact O-N 2.85Å; K283-E287 WeakPolarHBondContact CE-OE2 3.49Å; K283-E287 WeakPolarHBondContact O-CB 3.31Å; K283-E287 PolarHBondContact O-N 2.86Å
284	K	87.8	Confident	81.6	Confident	131 Å²	131	92.4 Å²	92.4	57%	0.57	51%	0.514	S	S	*	.	H	α-helix	trans	-60.2	-39.3	179.8	-173.7	176.4	-179.8	-179.7	0	112.6	S280 K281 E287 M288	S280-K284 WeakPolarHBondContact O-CB 3.49Å; S280-K284 PolarHBondContact O-N 3.25Å; K281-K284 PolarHBondContact O-N 2.91Å; K284-E287 PolarHBondContact O-N 3.21Å; K284-M288 HydrophobicContact CG-SD 4.2Å; K284-M288 WeakPolarHBondContact O-CB 3.2Å; K284-M288 VanDerWaalsContact O-CG 3.3Å; K284-M288 WeakPolarHBondContact O-CG 3.29Å; K284-M288 PolarHBondContact O-N 2.91Å
285	I	87	Confident	81.2	Confident	103 Å²	103	90 Å²	90	53%	0.528	50%	0.501	S	S	.	.	H	α-helix	trans	-64.7	-48.4	176.1	-70.1	163.8	0	0	0	110.6	K281 F282 K283 E287 M288 A289	K281-I285 VanDerWaalsContact O-CG1 3.28Å; K281-I285 WeakPolarHBondContact O-CG1 3.45Å; K281-I285 PolarHBondContact O-N 3.38Å; F282-I285 PolarHBondContact O-N 2.85Å; K283-I285 VanDerWaalsContact C-N 3.32Å; K283-I285 PolarHBondContact O-N 2.78Å; I285-E287 VanDerWaalsContact C-N 3.33Å; I285-E287 PolarHBondContact O-N 3.44Å; I285-M288 PolarHBondContact O-N 3.24Å; I285-A289 WeakPolarHBondContact O-CB 3.33Å; I285-A289 PolarHBondContact O-N 3.39Å
286	N	79.9	Confident	80.3	Confident	108 Å²	108	88.3 Å²	88.3	58%	0.578	50%	0.502	S	S	*	.	H	α-helix	trans	-66.5	-34.3	177.9	-75	-10.2	0	0	0	112.6	F282 K283 A289 A290	F282-N286 WeakPolarHBondContact O-CB 3.5Å; F282-N286 PolarHBondContact O-N 3.39Å; K283-N286 PolarHBondContact O-N 2.85Å; N286-A289 PolarHBondContact O-N 2.89Å; N286-A290 WeakPolarHBondContact O-CB 3.25Å; N286-A290 PolarHBondContact O-N 3.4Å
287	E	82.4	Confident	79	Confident	114 Å²	114	97.6 Å²	97.6	53%	0.533	53%	0.533	S	S	.	.	H	α-helix	trans	-71.2	-39.2	177.7	-166.9	158.4	-139.1	0	0	111	K283 K284 I285 A291	K283-E287 WeakPolarHBondContact CE-OE2 3.49Å; K283-E287 WeakPolarHBondContact O-CB 3.31Å; K283-E287 PolarHBondContact O-N 2.86Å; K284-E287 PolarHBondContact O-N 3.21Å; I285-E287 VanDerWaalsContact C-N 3.33Å; I285-E287 PolarHBondContact O-N 3.44Å; E287-A291 VanDerWaalsContact O-CB 3.29Å; E287-A291 WeakPolarHBondContact O-CB 3.28Å; E287-A291 PolarHBondContact O-N 2.82Å
288	M	83.2	Confident	77.4	Confident	120 Å²	120	98.7 Å²	98.7	59%	0.591	54%	0.538	S	S	*	.	H	α-helix	trans	-66.3	-43.5	169.3	-74.9	177.3	128.1	0	0	112.2	K284 I285 A290 A291 V292	K284-M288 HydrophobicContact CG-SD 4.2Å; K284-M288 WeakPolarHBondContact O-CB 3.2Å; K284-M288 VanDerWaalsContact O-CG 3.3Å; K284-M288 WeakPolarHBondContact O-CG 3.29Å; K284-M288 PolarHBondContact O-N 2.91Å; I285-M288 PolarHBondContact O-N 3.24Å; M288-A290 PolarHBondContact O-N 3.41Å; M288-A291 PolarHBondContact O-N 3.49Å; M288-V292 WeakPolarHBondContact O-CG2 3.4Å; M288-V292 PolarHBondContact O-N 2.94Å
289	A	80.6	Confident	75.6	Confident	55 Å²	55	101.6 Å²	101.6	46%	0.455	55%	0.552	S	S	.	*	H	α-helix	trans	-63.8	-40.2	176.6	0	0	0	0	0	112.1	I285 N286 A293	I285-A289 WeakPolarHBondContact O-CB 3.33Å; I285-A289 PolarHBondContact O-N 3.39Å; N286-A289 PolarHBondContact O-N 2.89Å; A289-A293 VanDerWaalsContact O-CB 3.27Å; A289-A293 WeakPolarHBondContact O-CB 3.2Å; A289-A293 PolarHBondContact O-N 3.42Å
290	A	79.5	Confident	73.6	Confident	60 Å²	60	103.5 Å²	103.5	50%	0.496	57%	0.569	S	S	.	*	H	α-helix	trans	-66.6	-40.3	173.8	0	0	0	0	0	112	N286 M288 A293 A294	N286-A290 WeakPolarHBondContact O-CB 3.25Å; N286-A290 PolarHBondContact O-N 3.4Å; M288-A290 PolarHBondContact O-N 3.41Å; A290-A293 PolarHBondContact O-N 3.25Å; A290-A294 VanDerWaalsContact O-CB 3.28Å; A290-A294 WeakPolarHBondContact O-CB 3.16Å; A290-A294 PolarHBondContact O-N 2.83Å
291	A	78.6	Confident	71.5	Confident	59 Å²	59	106 Å²	106	49%	0.488	58%	0.581	S	S	.	*	H	α-helix	trans	-63.7	-42.5	175.5	0	0	0	0	0	112.1	E287 M288 A294 A295	E287-A291 VanDerWaalsContact O-CB 3.29Å; E287-A291 WeakPolarHBondContact O-CB 3.28Å; E287-A291 PolarHBondContact O-N 2.82Å; M288-A291 PolarHBondContact O-N 3.49Å; A291-A294 PolarHBondContact O-N 3.47Å; A291-A295 WeakPolarHBondContact O-CB 3.47Å; A291-A295 PolarHBondContact O-N 3.21Å
292	V	78.5	Confident	69.6	Low	86 Å²	86	103.6 Å²	103.6	52%	0.521	58%	0.583	S	S	.	*	H	α-helix	trans	-65.3	-43.6	173.7	171.9	0	0	0	0	111.1	M288 A294 A295 N296	M288-V292 WeakPolarHBondContact O-CG2 3.4Å; M288-V292 PolarHBondContact O-N 2.94Å; V292-A294 VanDerWaalsContact C-N 3.27Å; V292-A294 PolarHBondContact O-N 2.91Å; V292-A295 PolarHBondContact O-N 2.67Å; V292-N296 VanDerWaalsContact O-CB 3.31Å; V292-N296 WeakPolarHBondContact O-CB 3.38Å; V292-N296 PolarHBondContact O-N 3.15Å
293	A	75.3	Confident	67.4	Low	44 Å²	44	105.6 Å²	105.6	36%	0.364	60%	0.599	S	S	.	*	H	α-helix	trans	-67.5	-24.2	176.8	0	0	0	0	0	113.7	A289 A290 R297	A289-A293 VanDerWaalsContact O-CB 3.27Å; A289-A293 WeakPolarHBondContact O-CB 3.2Å; A289-A293 PolarHBondContact O-N 3.42Å; A290-A293 PolarHBondContact O-N 3.25Å; A293-R297 WeakPolarHBondContact O-CD 3.26Å; A293-R297 WeakPolarHBondContact O-CG 3.25Å
294	A	73.8	Confident	65.2	Low	52 Å²	52	105 Å²	105	43%	0.43	61%	0.605	S	S	.	*	H	α-helix	trans	-80.1	-46.7	172.1	0	0	0	0	0	111.5	A290 A291 V292 N296 R297 V298	A290-A294 VanDerWaalsContact O-CB 3.28Å; A290-A294 WeakPolarHBondContact O-CB 3.16Å; A290-A294 PolarHBondContact O-N 2.83Å; A291-A294 PolarHBondContact O-N 3.47Å; V292-A294 VanDerWaalsContact C-N 3.27Å; V292-A294 PolarHBondContact O-N 2.91Å; A294-N296 VanDerWaalsContact C-N 3.32Å; A294-N296 PolarHBondContact O-N 3.26Å; A294-R297 PolarHBondContact O-N 3.09Å; A294-V298 PolarHBondContact O-N 2.76Å
295	A	72.6	Confident	62.9	Low	65 Å²	65	106.9 Å²	106.9	54%	0.537	62%	0.616	S	S	.	*	H	α-helix	trans	-57.2	-45.5	175.5	0	0	0	0	0	111.5	A291 V292 R297 V298	A291-A295 WeakPolarHBondContact O-CB 3.47Å; A291-A295 PolarHBondContact O-N 3.21Å; V292-A295 PolarHBondContact O-N 2.67Å; A295-R297 PolarHBondContact O-N 2.82Å; A295-V298 PolarHBondContact O-N 2.83Å; A295-V298 VanDerWaalsContact O-N 3.16Å
296	N	61.1	Low	60.5	Low	125 Å²	125	106.8 Å²	106.8	67%	0.668	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	0.1	176.7	-66.1	-3.5	0	0	0	114.1	V292 A294	V292-N296 VanDerWaalsContact O-CB 3.31Å; V292-N296 WeakPolarHBondContact O-CB 3.38Å; V292-N296 PolarHBondContact O-N 3.15Å; A294-N296 VanDerWaalsContact C-N 3.32Å; A294-N296 PolarHBondContact O-N 3.26Å
297	R	56.6	Low	58.3	Low	216 Å²	216	106.9 Å²	106.9	82%	0.815	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.9	-4.5	174.6	-80	178.8	172.3	153.7	-1.3	114	A293 A294 A295	A293-R297 WeakPolarHBondContact O-CD 3.26Å; A293-R297 WeakPolarHBondContact O-CG 3.25Å; A294-R297 PolarHBondContact O-N 3.09Å; A295-R297 PolarHBondContact O-N 2.82Å
298	V	47.7	Very low	56.2	Low	108 Å²	108	108.2 Å²	108.2	66%	0.655	65%	0.649	S	S	*	*			trans	-111	76.3	178.9	-174.6	0	0	0	0	109.8	A294 A295	A294-V298 PolarHBondContact O-N 2.76Å; A295-V298 PolarHBondContact O-N 2.83Å; A295-V298 VanDerWaalsContact O-N 3.16Å
299	I	44.4	Very low	54	Low	149 Å²	149	106 Å²	106	76%	0.764	65%	0.651	S	S	*	*			trans	-107.2	101.9	160.3	-60.9	-179.9	0	0	0	106.7
300	P	37.9	Very low	51.7	Low	111 Å²	111	110 Å²	110	72%	0.721	67%	0.669	S	S	*	*			trans	-91.6	112.1	-176.3	33.2	-30.3	0	0	0	111
301	V	40.2	Very low	49.9	Very low	134 Å²	134	112.6 Å²	112.6	81%	0.812	68%	0.681	S	S	*	*			trans	-132.2	132.5	163.5	-172.5	0	0	0	0	109.8
302	S	45.4	Very low	47.5	Very low	94 Å²	94	118.6 Å²	118.6	66%	0.657	70%	0.699	S	S	*	*			trans	-82.8	143.6	-169	48.8	0	0	0	0	115
303	D	37.6	Very low	45.2	Very low	153 Å²	153	118.6 Å²	118.6	82%	0.818	71%	0.708	S	S	*	*			trans	78.1	146.8	131.7	-73.5	-33.8	0	0	0	124.1
304	V	39.6	Very low	43	Very low	117 Å²	117	123.7 Å²	123.7	71%	0.709	73%	0.728	S	S	*	*			trans	79.2	85.1	159.8	-177.7	0	0	0	0	120.1
305	Q	38.7	Very low	40.9	Very low	171 Å²	171	126.7 Å²	126.7	80%	0.799	74%	0.742	S	S	*	*				64.6	142.4	119.4	-63.8	171.4	0.4	0	0	124.2
306	S	36.6	Very low	38.8	Very low	101 Å²	101	131.8 Å²	131.8	71%	0.706	75%	0.754	S	S	*	*			trans	48.3	103.3	151.2	55.7	0	0	0	0	119.3
307	S	35	Very low	37.5	Very low	111 Å²	111	131.2 Å²	131.2	78%	0.776	76%	0.755	S	S	*	*				69	116.6	69.3	77.5	0	0	0	0	116.2
308	V	37.2	Very low	36.5	Very low	141 Å²	141	127.3 Å²	127.3	86%	0.855	75%	0.746	S	S	*	*			trans	179.6	145.6	138.7	139.2	0	0	0	0	112
309	A	38	Very low	35.8	Very low	75 Å²	75	131.3 Å²	131.3	62%	0.62	75%	0.75	S	S	*	*			trans	39.3	114.2	155.9	0	0	0	0	0	123.2
310	T	30.9	Very low	35.5	Very low	137 Å²	137	131 Å²	131	84%	0.84	75%	0.749	S	S	*	*				40.6	158.6	116.2	42.4	0	0	0	0	123.5
311	P	41.2	Very low	35.1	Very low	115 Å²	115	132.5 Å²	132.5	75%	0.747	75%	0.75	S	S	*	*			trans	-125.5	-159	-144.3	44.6	-29.7	0	0	0	115.6
312	E	30	Very low	34.6	Very low	186 Å²	186	134.6 Å²	134.6	87%	0.869	75%	0.745	S	S	*	*			trans	97.1	158.9	168.8	-56.7	-154.9	153.5	0	0	118.5
313	A	28.6	Very low	34.4	Very low	85 Å²	85	135.6 Å²	135.6	70%	0.702	74%	0.742	S	S	*	*			trans	76.6	100.5	160.3	0	0	0	0	0	121
314	L	30.9	Very low	34.6	Very low	151 Å²	151	132.3 Å²	132.3	79%	0.791	73%	0.729	S	S	*	*				72.2	112.2	122.5	-62.5	174.8	0	0	0	121.7
315	T	27.7	Very low	34.2	Very low	116 Å²	116	131.7 Å²	131.7	71%	0.712	73%	0.73	S	S	*	*				73.6	155.1	125.6	58.7	0	0	0	0	122.7
316	E	30.3	Very low	34.2	Very low	172 Å²	172	131 Å²	131	80%	0.804	73%	0.727	S	S	*	*			trans	73.2	112.7	160.5	-74.1	-177	168.5	0	0	117
317	T	32.7	Very low	34.2	Very low	113 Å²	113	132.2 Å²	132.2	69%	0.693	72%	0.724	S	S	*	*				66.1	140.2	101.2	11	0	0	0	0	113.8
318	E	35.4	Very low	34.4	Very low	133 Å²	133	133.2 Å²	133.2	62%	0.621	72%	0.721	S	S	*	*			cis	-129.9	158.8	23.5	-75.2	-159.7	109	0	0	113.4
319	R	33.7	Very low	34.1	Very low	192 Å²	192	132.7 Å²	132.7	73%	0.725	71%	0.714	S	S	*	*				50.2	154.9	94.6	-38.4	-178.7	174.4	153.2	-13.4	114.5
320	L	37.9	Very low	34	Very low	143 Å²	143	133.3 Å²	133.3	75%	0.749	71%	0.713	S	S	*	*			cis	-132.3	158.2	24.1	-61.3	150.9	0	0	0	110.2
321	L	30.4	Very low	34.1	Very low	142 Å²	142	131.3 Å²	131.3	74%	0.743	71%	0.705	S	S	*	*				59.9	142.7	51.8	-111.9	75.9	0	0	0	112.1
322	Y	29.5	Very low	33.7	Very low	179 Å²	179	130.8 Å²	130.8	70%	0.702	70%	0.704	S	S	*	*			cis	-160.9	152.1	14.7	-178.8	-116.3	0	0	0	109
323	D	39.6	Very low	33.9	Very low	114 Å²	114	129.2 Å²	129.2	61%	0.61	70%	0.697	S	S	*	*			trans	16.5	177	134.1	-125.8	24.1	0	0	0	121.3
324	P	42	Very low	34	Very low	84 Å²	84	130.7 Å²	130.7	55%	0.545	69%	0.692	S	S	.	*			cis	-140.5	176.2	0.9	42	-23.7	0	0	0	117.6
325	S	31.4	Very low	34	Very low	104 Å²	104	130 Å²	130	73%	0.727	69%	0.688	S	S	*	*			trans	67.2	167.9	143.5	76.3	0	0	0	0	118.8
326	E	39.5	Very low	34.2	Very low	157 Å²	157	132.8 Å²	132.8	73%	0.734	69%	0.69	S	S	*	*			cis	-134.1	152.1	1.4	-85.2	-163.2	144.5	0	0	109.9
327	I	37.1	Very low	34.1	Very low	126 Å²	126	130.4 Å²	130.4	65%	0.646	68%	0.683	S	S	*	*				51	119.9	105.3	-41.1	171.8	0	0	0	113.4
328	D	38.6	Very low	34.2	Very low	133 Å²	133	129 Å²	129	71%	0.711	68%	0.678	S	S	*	*				-156.1	143.9	66	-108.2	-40.6	0	0	0	110.8
329	N	30.9	Very low	33.9	Very low	130 Å²	130	130.4 Å²	130.4	70%	0.695	69%	0.69	S	S	*	*				58.2	141.3	91.6	-81	-53.4	0	0	0	117.3
330	S	34.9	Very low	34.2	Very low	87 Å²	87	130.9 Å²	130.9	61%	0.608	69%	0.691	S	S	*	*			cis	-159.4	161.1	-1.7	-137.6	0	0	0	0	113.5
331	S	32.6	Very low	34.2	Very low	95 Å²	95	129.3 Å²	129.3	66%	0.664	69%	0.689	S	S	*	*			trans	40.4	111.4	134	-49.5	0	0	0	0	119.4
332	S	33.1	Very low	34.4	Very low	104 Å²	104	128.8 Å²	128.8	73%	0.727	69%	0.687	S	S	*	*				89.1	150.9	97	72.9	0	0	0	0	113.5
333	E	35.1	Very low	34.6	Very low	154 Å²	154	127.1 Å²	127.1	72%	0.72	69%	0.69	S	S	*	*				-168	157.2	58.5	-96.7	-135.7	136.4	0	0	114
334	I	30.5	Very low	34.4	Very low	116 Å²	116	126.3 Å²	126.3	60%	0.595	69%	0.693	S	S	*	*			trans	44.7	102.5	132.9	-57.2	-163.9	0	0	0	117.7
335	L	30.6	Very low	34	Very low	136 Å²	136	129.6 Å²	129.6	71%	0.712	70%	0.701	S	S	*	*				84.9	145.2	80.5	-93.3	152.3	0	0	0	114.7
336	K	31.7	Very low	34	Very low	174 Å²	174	131.1 Å²	131.1	76%	0.757	70%	0.695	S	S	*	*			trans	70.3	159.5	156	-71.5	171.4	174.9	177	0	117.2
337	D	29.6	Very low	33.5	Very low	123 Å²	123	129.8 Å²	129.8	66%	0.658	70%	0.698	S	S	*	*			cis	-141.4	171.8	-8.8	-134.5	-54	0	0	0	112.6
338	S	34.4	Very low	33.3	Very low	83 Å²	83	133 Å²	133	58%	0.58	71%	0.707	S	S	*	*			trans	-37.8	148	162.4	-42.4	0	0	0	0	114.7
339	N	29.5	Very low	33	Very low	163 Å²	163	132.3 Å²	132.3	87%	0.872	71%	0.708	S	S	*	*				175.6	158.7	110.4	-92.8	-57.4	0	0	0	114.5
340	R	40.3	Very low	33.3	Very low	202 Å²	202	132 Å²	132	76%	0.762	71%	0.713	S	S	*	*			trans	-128.6	128.1	173.5	-176.4	-168.7	-158.6	-106.9	6.6	109.1
341	P	35.9	Very low	33.2	Very low	109 Å²	109	132.9 Å²	132.9	71%	0.708	72%	0.719	S	S	*	*				-118.5	151.8	128	-2.7	24	0	0	0	109.6
342	L	35.7	Very low	33.5	Very low	132 Å²	132	132.6 Å²	132.6	69%	0.691	72%	0.715	S	S	*	*			cis	75.2	154.4	48.9	-82.2	173.8	0	0	0	115
343	D	32.7	Very low	33.3	Very low	144 Å²	144	136.5 Å²	136.5	77%	0.77	72%	0.722	S	S	*	*			trans	70	154.1	179.3	-51.7	-26.5	0	0	0	117.7
344	S	36.1	Very low	33.1	Very low	97 Å²	97	133.6 Å²	133.6	68%	0.678	72%	0.718	S	S	*	*			cis	-171.2	179.7	-46.6	58.4	0	0	0	0	107.7
345	E	33.5	Very low	33	Very low	153 Å²	153	136.2 Å²	136.2	72%	0.715	73%	0.728	S	S	*	*			trans	68.2	149.1	172	-69.3	-141	138.1	0	0	116.2
346	K	31.7	Very low	33.2	Very low	136 Å²	136	135.1 Å²	135.1	59%	0.591	73%	0.727	S	S	*	*			cis	-177	128.3	-8.6	159.7	163.5	169.7	178.8	0	114.3
347	T	28.2	Very low	33	Very low	129 Å²	129	135.1 Å²	135.1	79%	0.791	73%	0.729	S	S	*	*			trans	62.1	164.5	160.5	58.4	0	0	0	0	117
348	K	33.2	Very low	33	Very low	192 Å²	192	133.5 Å²	133.5	84%	0.835	73%	0.734	S	S	*	*			cis	-149.7	143.9	7.1	-147.1	-177.8	178.4	-179.2	0	111.6
349	T	33.2	Very low	33.2	Very low	119 Å²	119	136.4 Å²	136.4	73%	0.73	74%	0.742	S	S	*	*			trans	-70.4	157.7	158	-8.1	0	0	0	0	110.2
350	P	36	Very low	33.5	Very low	124 Å²	124	134.5 Å²	134.5	81%	0.805	74%	0.737	S	S	*	*				-150.7	144.2	84.4	36.5	-16.7	0	0	0	117.6
351	S	34.5	Very low	33	Very low	105 Å²	105	129.3 Å²	129.3	73%	0.734	73%	0.731	S	S	*	*			trans	-90	171.9	136.7	-144.3	0	0	0	0	106.9
352	P	38.2	Very low	32.8	Very low	90 Å²	90	130.5 Å²	130.5	58%	0.584	74%	0.737	S	S	*	*			cis	-150.7	-160.6	24.5	44.2	-21.9	0	0	0	116
353	Q	29.1	Very low	32.9	Very low	185 Å²	185	129.6 Å²	129.6	86%	0.864	74%	0.737	S	S	*	*			trans	65.9	158.8	154	-75.6	162.1	-21.9	0	0	116.8
354	S	30.5	Very low	33	Very low	93 Å²	93	128.5 Å²	128.5	65%	0.65	73%	0.731	S	S	*	*			cis	-144	152	1.6	56.3	0	0	0	0	108.7
355	E	29	Very low	33	Very low	172 Å²	172	132 Å²	132	80%	0.804	74%	0.737	S	S	*	*				55.3	120.9	99.7	-142.2	170.9	-159.7	0	0	113.5
356	V	33.9	Very low	33.3	Very low	113 Å²	113	129.4 Å²	129.4	69%	0.685	74%	0.735	S	S	*	*				-174.2	137.1	83.7	154.4	0	0	0	0	112.1
357	Q	28.6	Very low	33.6	Very low	173 Å²	173	130.9 Å²	130.9	81%	0.808	75%	0.748	S	S	*	*			trans	28.4	140	143.4	-53.3	165.4	-3.2	0	0	124.5
358	A	29.6	Very low	34.1	Very low	90 Å²	90	128.7 Å²	128.7	74%	0.744	74%	0.743	S	S	*	*			trans	61.7	147.8	132.8	0	0	0	0	0	119.9
359	D	37.4	Very low	34.4	Very low	143 Å²	143	126.5 Å²	126.5	77%	0.765	74%	0.741	S	S	*	*			cis	-146.7	152.6	46	-92.2	-36.4	0	0	0	111.2
360	V	35.7	Very low	34.7	Very low	124 Å²	124	126.8 Å²	126.8	75%	0.752	74%	0.742	S	S	*	*				62.5	127.2	71.4	168.6	0	0	0	0	113.2
361	S	31.1	Very low	34.9	Very low	93 Å²	93	126 Å²	126	65%	0.65	74%	0.737	S	S	*	*			cis	-170.6	160.1	-10.1	-94.8	0	0	0	0	111.6
362	T	31.7	Very low	35.1	Very low	134 Å²	134	127.3 Å²	127.3	82%	0.822	74%	0.741	S	S	*	*			trans	64.2	162.3	161.4	21.9	0	0	0	0	117.4
363	T	36	Very low	35	Very low	113 Å²	113	129.1 Å²	129.1	69%	0.693	75%	0.75	S	S	*	*			cis	-146.6	148.1	11.9	26.4	0	0	0	0	112.7
364	N	35.2	Very low	35.4	Very low	121 Å²	121	124 Å²	124	65%	0.647	75%	0.746	S	S	*	*			trans	67.6	126.6	138.6	-65.9	33	0	0	0	124.6
365	E	37.7	Very low	35.6	Very low	171 Å²	171	128.1 Å²	128.1	80%	0.799	75%	0.752	S	S	*	*				67.9	139.3	129.3	-66.6	171.4	131.3	0	0	120.4
366	S	39.2	Very low	36.2	Very low	97 Å²	97	128 Å²	128	68%	0.678	76%	0.757	S	S	*	*			cis	-158.9	159	-2	59.4	0	0	0	0	111.3
367	L	37	Very low	36.1	Very low	167 Å²	167	130 Å²	130	87%	0.874	76%	0.764	S	S	*	*			trans	38.9	129.2	152.9	-85.7	62.9	0	0	0	118.9
368	A	39.5	Very low	36.6	Very low	83 Å²	83	130.2 Å²	130.2	69%	0.686	77%	0.767	S	S	*	*			cis	-170.2	-176.8	0.8	0	0	0	0	0	107.8
369	D	39.3	Very low	36.8	Very low	146 Å²	146	134.1 Å²	134.1	78%	0.781	77%	0.774	S	S	*	*			cis	-152.8	173.9	-1.6	-139.6	-26.6	0	0	0	111.8
370	V	39.1	Very low	37	Very low	125 Å²	125	132.3 Å²	132.3	76%	0.758	77%	0.772	S	S	*	*			trans	-162.6	-178.8	-177.2	-117.3	0	0	0	0	109
371	P	41.4	Very low	37.3	Very low	107 Å²	107	135 Å²	135	70%	0.695	78%	0.776	S	S	*	*			cis	-129.6	-164.4	-23.3	37.9	-19.7	0	0	0	111.4
372	V	38.7	Very low	37.7	Very low	134 Å²	134	138 Å²	138	81%	0.812	79%	0.785	S	S	*	*				-172.2	150.1	114.2	144.2	0	0	0	0	109.7
373	V	35.4	Very low	38.8	Very low	128 Å²	128	137.5 Å²	137.5	78%	0.776	78%	0.781	S	S	*	*			trans	-122.4	130.2	177.9	172.4	0	0	0	0	109.4	K375	V373-K375 HydrophobicContact CG1-CG 4.44Å
374	G	36.8	Very low	39.9	Very low	76 Å²	76	138.6 Å²	138.6	78%	0.784	78%	0.783	S	S	*	*			trans	-128.8	135.6	162.5	0	0	0	0	0	108.9
375	K	36.3	Very low	41.1	Very low	181 Å²	181	138.6 Å²	138.6	79%	0.787	79%	0.789	S	S	*	*			trans	-128.2	120.3	175.9	-76.2	-177.7	177	-179.8	0	108.7	V373	V373-K375 HydrophobicContact CG1-CG 4.44Å
376	D	40.1	Very low	42.5	Very low	169 Å²	169	135.6 Å²	135.6	90%	0.904	78%	0.778	S	S	*	*			trans	-137.5	138.8	155.4	-81.9	-61.2	0	0	0	109
377	N	32.6	Very low	44.3	Very low	155 Å²	155	132.7 Å²	132.7	83%	0.829	76%	0.758	S	S	*	*			trans	-94	111	-177.3	-83.9	-9.1	0	0	0	109.8
378	M	39.8	Very low	46.2	Very low	177 Å²	177	130 Å²	130	87%	0.872	75%	0.75	S	S	*	*			trans	-130.9	154.9	154.5	-83.7	-60.3	154.9	0	0	111.4	S380	M378-S380 PolarHBondContact O-N 2.86Å
379	I	33.9	Very low	47.9	Very low	172 Å²	172	131 Å²	131	88%	0.882	74%	0.741	S	S	*	*			trans	-89.9	94	-162.8	-57.9	168.9	0	0	0	109.3
380	S	41.4	Very low	49.5	Very low	105 Å²	105	127.8 Å²	127.8	73%	0.734	72%	0.721	S	S	*	*			trans	-89.5	126.7	170.1	-63.1	0	0	0	0	110.6	M378 L382	M378-S380 PolarHBondContact O-N 2.86Å; S380-L382 PolarHBondContact O-N 2.71Å
381	E	42.2	Very low	50.8	Low	180 Å²	180	129 Å²	129	84%	0.841	71%	0.713	S	S	*	*			trans	-73.5	118.9	-179.6	-171.8	165.2	-159.2	0	0	110.2	V383	E381-V383 PolarHBondContact O-N 3.09Å
382	L	39.5	Very low	52.4	Low	157 Å²	157	128.5 Å²	128.5	82%	0.822	70%	0.701	S	S	*	*			trans	-72.7	90.1	177.6	-81.4	89	0	0	0	110.5	S380	S380-L382 PolarHBondContact O-N 2.71Å
383	V	54	Low	54.2	Low	124 Å²	124	128.5 Å²	128.5	75%	0.752	69%	0.687	S	S	*	*			trans	-80.8	115.5	151.5	-179.3	0	0	0	0	106.8	E381	E381-V383 PolarHBondContact O-N 3.09Å
384	D	58.2	Low	55.9	Low	136 Å²	136	127 Å²	127	73%	0.727	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-59.1	129.8	177	-71.5	-50	0	0	0	110.1	L386	D384-L386 PolarHBondContact O-N 2.86Å
385	P	61	Low	57.6	Low	121 Å²	121	128.3 Å²	128.3	79%	0.786	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-66.1	128.8	176.9	27.2	-33.3	0	0	0	109.7	S387	P385-S387 PolarHBondContact O-N 2.88Å
386	L	66.5	Low	59.5	Low	107 Å²	107	124 Å²	124	56%	0.56	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-49.5	134.8	174.2	-77.2	140.9	0	0	0	110.3	D384 E390 I394	D384-L386 PolarHBondContact O-N 2.86Å; L386-E390 HydrophobicContact CD2-CB 3.95Å; L386-I394 HydrophobicContact CD2-CD1 4.21Å
387	S	78.2	Confident	60.9	Low	37 Å²	37	119.3 Å²	119.3	26%	0.259	61%	0.611	S	S	.	*	P	Polyproline II helix	trans	-57.3	144.3	171.8	172.7	0	0	0	0	109.5	P385 E389 E390 Y391	P385-S387 PolarHBondContact O-N 2.88Å; S387-E389 PolarHBondContact O-N 3.21Å; S387-E389 PolarHBondContact OG-N 2.92Å; S387-E389 VanDerWaalsContact OG-N 3.16Å; S387-E389 PolarHBondContact OG-OE2 2.87Å; S387-E390 WeakPolarHBondContact O-CA 3.41Å; S387-E390 WeakPolarHBondContact O-CB 3.33Å; S387-E390 PolarHBondContact O-N 3.43Å; S387-Y391 PolarHBondContact O-N 2.89Å
388	P	77.3	Confident	62.6	Low	109 Å²	109	115.6 Å²	115.6	71%	0.708	59%	0.586	S	S	*	*	H	α-helix	trans	-50.2	-29.5	168.2	-27.9	35.7	0	0	0	112.7	E392	P388-E392 WeakPolarHBondContact O-CB 3.37Å; P388-E392 PolarHBondContact O-N 3.18Å
389	E	73.7	Confident	64.1	Low	105 Å²	105	109.7 Å²	109.7	49%	0.491	55%	0.554	S	S	.	*	H	α-helix	trans	-75.7	-24.9	176.4	-53.1	175.2	90.8	0	0	113.9	S387 R393 R450	S387-E389 PolarHBondContact O-N 3.21Å; S387-E389 PolarHBondContact OG-N 2.92Å; S387-E389 VanDerWaalsContact OG-N 3.16Å; S387-E389 PolarHBondContact OG-OE2 2.87Å; E389-R393 VanDerWaalsContact O-CB 3.27Å; E389-R393 WeakPolarHBondContact O-CB 3.43Å; E389-R393 PolarHBondContact O-N 3.45Å; E389-R393 VanDerWaalsContact O-N 3.15Å; E389-R450 IonicContact OE1-CZ 3.26Å; E389-R450 VanDerWaalsContact OE1-CZ 3.26Å; E389-R450 IonicContact OE1-NH1 2.89Å; E389-R450 PolarHBondContact OE1-NH1 3.07Å; E389-R450 IonicContact OE1-NH2 2.69Å; E389-R450 PolarHBondContact OE1-NH2 3.46Å
390	E	72.6	Confident	65.7	Low	78 Å²	78	104.9 Å²	104.9	36%	0.364	53%	0.527	S	S	.	.	H	α-helix	trans	-82.1	-39.4	173.1	-70.4	-170	112	0	0	111.3	L386 S387 R393 I394	L386-E390 HydrophobicContact CD2-CB 3.95Å; S387-E390 WeakPolarHBondContact O-CA 3.41Å; S387-E390 WeakPolarHBondContact O-CB 3.33Å; S387-E390 PolarHBondContact O-N 3.43Å; E390-R393 PolarHBondContact O-N 3.23Å; E390-R393 IonicContact OE1-NH2 2.69Å; E390-R393 PolarHBondContact OE1-NH2 2.81Å; E390-I394 WeakPolarHBondContact O-CD1 3.41Å; E390-I394 VanDerWaalsContact O-CG1 3.27Å; E390-I394 WeakPolarHBondContact O-CG1 3.32Å; E390-I394 PolarHBondContact O-N 3.42Å
391	Y	67.8	Low	66.4	Low	151 Å²	151	106 Å²	106	59%	0.592	52%	0.52	S	S	*	.	H	α-helix	trans	-57.2	-53.5	169.3	-176.3	-89.7	0	0	0	110.7	S387 R393 I394 Y395	S387-Y391 PolarHBondContact O-N 2.89Å; Y391-R393 VanDerWaalsContact C-N 3.3Å; Y391-R393 PolarHBondContact O-N 2.93Å; Y391-I394 PolarHBondContact O-N 3.08Å; Y391-I394 VanDerWaalsContact O-N 3.11Å; Y391-Y395 HydrophobicContact CE1-CD2 4.43Å; Y391-Y395 WeakPolarHBondContact O-CB 3.28Å; Y391-Y395 PolarHBondContact O-N 2.94Å
392	E	75.6	Confident	67.1	Low	96 Å²	96	99.7 Å²	99.7	45%	0.449	49%	0.489	S	S	.	.	H	α-helix	trans	-55	-42.5	175.2	178.9	63.4	-151.8	0	0	112.2	P388 Y395 Q396	P388-E392 WeakPolarHBondContact O-CB 3.37Å; P388-E392 PolarHBondContact O-N 3.18Å; E392-Y395 PolarHBondContact O-N 3.45Å; E392-Q396 WeakPolarHBondContact O-CB 3.47Å; E392-Q396 VanDerWaalsContact O-CG 3.29Å; E392-Q396 WeakPolarHBondContact O-CG 3.38Å; E392-Q396 PolarHBondContact O-N 2.99Å; E392-Q396 PolarHBondContact OE1-NE2 3.22Å
393	R	75.5	Confident	68	Low	135 Å²	135	98.9 Å²	98.9	51%	0.509	48%	0.476	S	S	.	.	H	α-helix	trans	-64.9	-40.6	177.1	179	-178	62.4	133.7	-6.9	112.7	E389 E390 Y391 E397	E389-R393 VanDerWaalsContact O-CB 3.27Å; E389-R393 WeakPolarHBondContact O-CB 3.43Å; E389-R393 PolarHBondContact O-N 3.45Å; E389-R393 VanDerWaalsContact O-N 3.15Å; E390-R393 PolarHBondContact O-N 3.23Å; E390-R393 IonicContact OE1-NH2 2.69Å; E390-R393 PolarHBondContact OE1-NH2 2.81Å; Y391-R393 VanDerWaalsContact C-N 3.3Å; Y391-R393 PolarHBondContact O-N 2.93Å; R393-E397 WeakPolarHBondContact O-CB 3.49Å; R393-E397 PolarHBondContact O-N 3.07Å; R393-E397 VanDerWaalsContact O-N 3.15Å
394	I	71.7	Confident	68.4	Low	97 Å²	97	95.2 Å²	95.2	50%	0.497	46%	0.459	S	S	.	.	H	α-helix	trans	-65.3	-44.8	176.6	-69.6	163	0	0	0	109.5	L386 E390 Y391 Q396 E397 Y398	L386-I394 HydrophobicContact CD2-CD1 4.21Å; E390-I394 WeakPolarHBondContact O-CD1 3.41Å; E390-I394 VanDerWaalsContact O-CG1 3.27Å; E390-I394 WeakPolarHBondContact O-CG1 3.32Å; E390-I394 PolarHBondContact O-N 3.42Å; Y391-I394 PolarHBondContact O-N 3.08Å; Y391-I394 VanDerWaalsContact O-N 3.11Å; I394-Q396 PolarHBondContact O-N 3.31Å; I394-E397 PolarHBondContact O-N 2.83Å; I394-Y398 WeakPolarHBondContact O-CB 3.42Å; I394-Y398 PolarHBondContact O-N 2.89Å
395	Y	72.4	Confident	68.2	Low	103 Å²	103	93.4 Å²	93.4	40%	0.404	45%	0.446	S	S	.	.	H	α-helix	trans	-59.9	-46.6	177.9	-157.7	-95.6	0	0	0	112.4	Y391 E392 E397 Y398 Y399	Y391-Y395 HydrophobicContact CE1-CD2 4.43Å; Y391-Y395 WeakPolarHBondContact O-CB 3.28Å; Y391-Y395 PolarHBondContact O-N 2.94Å; E392-Y395 PolarHBondContact O-N 3.45Å; Y395-E397 PolarHBondContact O-N 2.88Å; Y395-Y398 PolarHBondContact O-N 3.37Å; Y395-Y399 AromaticContact CD1-CD2 3.98Å; Y395-Y399 HydrophobicContact CD1-CD2 3.98Å; Y395-Y399 HydrophobicContact CD1-CE2 4.05Å; Y395-Y399 AromaticContact CE1-CD2 3.76Å; Y395-Y399 HydrophobicContact CE1-CD2 3.76Å; Y395-Y399 AromaticContact CE1-CE2 3.38Å; Y395-Y399 HydrophobicContact CE1-CE2 3.38Å; Y395-Y399 HydrophobicContact CE2-CE2 4.14Å; Y395-Y399 AromaticContact CZ-CE2 3.44Å; Y395-Y399 VanDerWaalsContact CZ-CE2 3.44Å; Y395-Y399 WeakPolarHBondContact O-CD2 3.37Å; Y395-Y399 PolarHBondContact O-N 3.34Å; Y395-Y399 VanDerWaalsContact O-N 3.09Å; Y395-Y399 PolarHBondContact OH-OH 2.93Å
396	Q	74.6	Confident	67.9	Low	91 Å²	91	91.7 Å²	91.7	43%	0.425	42%	0.424	S	S	.	.	H	α-helix	trans	-61.9	-41.2	176.3	-74.4	178	14.6	0	0	113.1	E392 I394 K400	E392-Q396 WeakPolarHBondContact O-CB 3.47Å; E392-Q396 VanDerWaalsContact O-CG 3.29Å; E392-Q396 WeakPolarHBondContact O-CG 3.38Å; E392-Q396 PolarHBondContact O-N 2.99Å; E392-Q396 PolarHBondContact OE1-NE2 3.22Å; I394-Q396 PolarHBondContact O-N 3.31Å; Q396-K400 WeakPolarHBondContact O-CB 3.39Å; Q396-K400 PolarHBondContact O-N 2.72Å
397	E	71.4	Confident	67.5	Low	70 Å²	70	92.5 Å²	92.5	33%	0.327	42%	0.421	S	S	.	.	H	α-helix	trans	-75.8	-29.9	-177.9	-159.9	75.8	168.4	0	0	111.7	R393 I394 Y395 K400 H401	R393-E397 WeakPolarHBondContact O-CB 3.49Å; R393-E397 PolarHBondContact O-N 3.07Å; R393-E397 VanDerWaalsContact O-N 3.15Å; I394-E397 PolarHBondContact O-N 2.83Å; Y395-E397 PolarHBondContact O-N 2.88Å; E397-K400 HydrophobicContact CG-CD 4.47Å; E397-K400 IonicContact OE1-NZ 2.63Å; E397-K400 PolarHBondContact OE1-NZ 3.5Å; E397-K400 WeakPolarHBondContact OE2-CD 3.17Å; E397-K400 IonicContact OE2-NZ 3.48Å; E397-K400 PolarHBondContact OE2-NZ 2.95Å; E397-H401 PolarHBondContact O-CD2 2.73Å
398	Y	67.2	Low	66.6	Low	77 Å²	77	93.6 Å²	93.6	30%	0.302	43%	0.426	S	S	.	.	H	α-helix	trans	-61.5	-55.9	167.9	173.4	-115	0	0	0	111.6	I394 Y395 K400 H401 Y402	I394-Y398 WeakPolarHBondContact O-CB 3.42Å; I394-Y398 PolarHBondContact O-N 2.89Å; Y395-Y398 PolarHBondContact O-N 3.37Å; Y398-K400 PolarHBondContact O-N 2.86Å; Y398-K400 VanDerWaalsContact O-N 3.16Å; Y398-H401 PolarHBondContact O-N 3.04Å; Y398-Y402 WeakPolarHBondContact O-CB 3.43Å; Y398-Y402 PolarHBondContact O-N 3.49Å
399	Y	71.2	Confident	65.4	Low	52 Å²	52	92.2 Å²	92.2	20%	0.204	41%	0.41	C	S	.	.	H	α-helix	trans	-58.5	-33	-178.2	-95.3	-97.1	0	0	0	113.7	Y395 H401 Y402 Y403	Y395-Y399 AromaticContact CD1-CD2 3.98Å; Y395-Y399 HydrophobicContact CD1-CD2 3.98Å; Y395-Y399 HydrophobicContact CD1-CE2 4.05Å; Y395-Y399 AromaticContact CE1-CD2 3.76Å; Y395-Y399 HydrophobicContact CE1-CD2 3.76Å; Y395-Y399 AromaticContact CE1-CE2 3.38Å; Y395-Y399 HydrophobicContact CE1-CE2 3.38Å; Y395-Y399 HydrophobicContact CE2-CE2 4.14Å; Y395-Y399 AromaticContact CZ-CE2 3.44Å; Y395-Y399 VanDerWaalsContact CZ-CE2 3.44Å; Y395-Y399 WeakPolarHBondContact O-CD2 3.37Å; Y395-Y399 PolarHBondContact O-N 3.34Å; Y395-Y399 VanDerWaalsContact O-N 3.09Å; Y395-Y399 PolarHBondContact OH-OH 2.93Å; Y399-H401 VanDerWaalsContact C-N 3.33Å; Y399-H401 PolarHBondContact O-N 2.68Å; Y399-Y402 HydrophobicContact CD1-CD1 4.04Å; Y399-Y402 HydrophobicContact CE1-CD1 4.09Å; Y399-Y402 HydrophobicContact CE1-CE1 4.17Å; Y399-Y402 PolarHBondContact O-N 2.89Å; Y399-Y403 HydrophobicContact CD1-CD2 4.09Å; Y399-Y403 HydrophobicContact CD1-CE2 4.06Å; Y399-Y403 HydrophobicContact CE1-CE2 4.46Å; Y399-Y403 PolarHBondContact O-N 2.9Å
400	K	67.4	Low	64.5	Low	71 Å²	71	92.2 Å²	92.2	31%	0.309	41%	0.406	S	S	.	.	H	α-helix	trans	-61.2	-35.2	176	170.5	-168	-179.9	-176.5	0	113.6	Q396 E397 Y398	Q396-K400 WeakPolarHBondContact O-CB 3.39Å; Q396-K400 PolarHBondContact O-N 2.72Å; E397-K400 HydrophobicContact CG-CD 4.47Å; E397-K400 IonicContact OE1-NZ 2.63Å; E397-K400 PolarHBondContact OE1-NZ 3.5Å; E397-K400 WeakPolarHBondContact OE2-CD 3.17Å; E397-K400 IonicContact OE2-NZ 3.48Å; E397-K400 PolarHBondContact OE2-NZ 2.95Å; Y398-K400 PolarHBondContact O-N 2.86Å; Y398-K400 VanDerWaalsContact O-N 3.16Å
401	H	55.7	Low	63.7	Low	129 Å²	129	89.9 Å²	89.9	60%	0.597	40%	0.398	S	S	*	.	H	α-helix	trans	-86.7	-43.9	175	-77.5	-91	0	0	0	111.2	E397 Y398 Y399 Y403 A404 H405	E397-H401 PolarHBondContact O-CD2 2.73Å; Y398-H401 PolarHBondContact O-N 3.04Å; Y399-H401 VanDerWaalsContact C-N 3.33Å; Y399-H401 PolarHBondContact O-N 2.68Å; H401-Y403 PolarHBondContact O-N 3.08Å; H401-A404 PolarHBondContact O-N 2.92Å; H401-H405 PolarHBondContact O-N 2.95Å; H401-H405 VanDerWaalsContact O-N 3.16Å
402	Y	57.6	Low	63	Low	48 Å²	48	87.4 Å²	87.4	19%	0.188	40%	0.395	C	S	.	.	H	α-helix	trans	-52.2	-52.6	178.5	166.6	-138	0	0	0	112.8	M83 Y398 Y399 A404 H405 Y406	M83-Y402 HydrophobicContact CE-CD1 4.38Å; M83-Y402 HydrophobicContact CE-CD2 3.76Å; M83-Y402 HydrophobicContact CE-CE1 4.04Å; M83-Y402 HydrophobicContact CE-CE2 3.42Å; M83-Y402 VanDerWaalsContact CE-CE2 3.42Å; M83-Y402 HydrophobicContact CE-CG 4.26Å; M83-Y402 HydrophobicContact SD-CD2 3.79Å; M83-Y402 HydrophobicContact SD-CE2 3.1Å; M83-Y402 WeakPolarHBondContact SD-CE2 3.04Å; M83-Y402 VanDerWaalsContact SD-CZ 3.59Å; Y398-Y402 WeakPolarHBondContact O-CB 3.43Å; Y398-Y402 PolarHBondContact O-N 3.49Å; Y399-Y402 HydrophobicContact CD1-CD1 4.04Å; Y399-Y402 HydrophobicContact CE1-CD1 4.09Å; Y399-Y402 HydrophobicContact CE1-CE1 4.17Å; Y399-Y402 PolarHBondContact O-N 2.89Å; Y402-A404 PolarHBondContact O-N 3.28Å; Y402-A404 VanDerWaalsContact O-N 3.14Å; Y402-H405 PolarHBondContact O-N 3.13Å; Y402-Y406 AromaticContact CE2-CD2 3.74Å; Y402-Y406 HydrophobicContact CE2-CD2 3.74Å; Y402-Y406 AromaticContact CE2-CG 3.96Å; Y402-Y406 HydrophobicContact CE2-CG 3.96Å; Y402-Y406 PolarHBondContact O-N 3Å
403	Y	59	Low	62	Low	140 Å²	140	88.9 Å²	88.9	55%	0.549	40%	0.402	S	S	.	.	H	α-helix	trans	-58.4	-32.7	-178	-108.8	-86.9	0	0	0	113.6	Y399 H401 Y407	Y399-Y403 HydrophobicContact CD1-CD2 4.09Å; Y399-Y403 HydrophobicContact CD1-CE2 4.06Å; Y399-Y403 HydrophobicContact CE1-CE2 4.46Å; Y399-Y403 PolarHBondContact O-N 2.9Å; H401-Y403 PolarHBondContact O-N 3.08Å; Y403-Y407 AromaticContact CD1-CD2 3.97Å; Y403-Y407 HydrophobicContact CD1-CD2 3.97Å; Y403-Y407 AromaticContact CD1-CE2 3.98Å; Y403-Y407 HydrophobicContact CD1-CE2 3.98Å; Y403-Y407 HydrophobicContact CE1-CD2 4.42Å; Y403-Y407 AromaticContact CE1-CE2 3.98Å; Y403-Y407 HydrophobicContact CE1-CE2 3.98Å; Y403-Y407 WeakPolarHBondContact O-CB 3.29Å; Y403-Y407 PolarHBondContact O-N 3.09Å; Y403-Y407 VanDerWaalsContact O-N 3.17Å
404	A	62	Low	60.7	Low	47 Å²	47	91.2 Å²	91.2	39%	0.388	41%	0.411	S	S	.	.	H	α-helix	trans	-76.1	-37	178.5	0	0	0	0	0	112.1	H401 Y402 T408	H401-A404 PolarHBondContact O-N 2.92Å; Y402-A404 PolarHBondContact O-N 3.28Å; Y402-A404 VanDerWaalsContact O-N 3.14Å; A404-T408 WeakPolarHBondContact O-CG2 3.38Å; A404-T408 PolarHBondContact O-N 2.85Å; A404-T408 PolarHBondContact O-OG1 3.03Å
405	H	54.7	Low	59.3	Low	97 Å²	97	89.8 Å²	89.8	45%	0.449	41%	0.414	S	S	.	.	H	α-helix	trans	-68.6	-49.7	174.6	-167.7	-121.8	0	0	0	111	H401 Y402 Y407 T408 H409	H401-H405 PolarHBondContact O-N 2.95Å; H401-H405 VanDerWaalsContact O-N 3.16Å; Y402-H405 PolarHBondContact O-N 3.13Å; H405-Y407 PolarHBondContact O-N 2.89Å; H405-T408 PolarHBondContact O-N 2.94Å; H405-T408 VanDerWaalsContact O-N 3.13Å; H405-T408 PolarHBondContact O-OG1 3.34Å; H405-H409 AromaticContact NE2-CD2 3.63Å; H405-H409 PolarHBondContact O-N 2.93Å
406	Y	53.5	Low	57.7	Low	86 Å²	86	91.3 Å²	91.3	34%	0.337	43%	0.428	S	S	.	.	H	α-helix	trans	-56.4	-53	178.5	-169.2	-94.2	0	0	0	112	Y402 T408 H409 Y410	Y402-Y406 AromaticContact CE2-CD2 3.74Å; Y402-Y406 HydrophobicContact CE2-CD2 3.74Å; Y402-Y406 AromaticContact CE2-CG 3.96Å; Y402-Y406 HydrophobicContact CE2-CG 3.96Å; Y402-Y406 PolarHBondContact O-N 3Å; Y406-T408 PolarHBondContact O-N 3.05Å; Y406-H409 PolarHBondContact O-N 2.84Å; Y406-Y410 HydrophobicContact CD1-CD2 4.43Å; Y406-Y410 HydrophobicContact CD2-CD2 4.18Å; Y406-Y410 AromaticContact CE1-CD2 3.88Å; Y406-Y410 HydrophobicContact CE1-CD2 3.88Å; Y406-Y410 HydrophobicContact CE1-CE2 4.35Å; Y406-Y410 HydrophobicContact CE1-CG 4.06Å; Y406-Y410 AromaticContact CE2-CD2 3.6Å; Y406-Y410 HydrophobicContact CE2-CD2 3.6Å; Y406-Y410 AromaticContact CE2-CE2 3.67Å; Y406-Y410 HydrophobicContact CE2-CE2 3.67Å; Y406-Y410 AromaticContact CZ-CD2 3.44Å; Y406-Y410 VanDerWaalsContact CZ-CD2 3.44Å; Y406-Y410 AromaticContact CZ-CE2 3.51Å; Y406-Y410 WeakPolarHBondContact O-CB 3.33Å; Y406-Y410 PolarHBondContact O-N 3.15Å; Y406-Y410 VanDerWaalsContact OH-CE2 3.25Å; Y406-Y410 WeakPolarHBondContact OH-CE2 3.29Å
407	Y	57.9	Low	56.1	Low	124 Å²	124	93.1 Å²	93.1	49%	0.486	45%	0.448	S	S	.	.	H	α-helix	trans	-64.4	-23.5	179.8	-98.8	-86.4	0	0	0	114.3	Y403 H405 S411	Y403-Y407 AromaticContact CD1-CD2 3.97Å; Y403-Y407 HydrophobicContact CD1-CD2 3.97Å; Y403-Y407 AromaticContact CD1-CE2 3.98Å; Y403-Y407 HydrophobicContact CD1-CE2 3.98Å; Y403-Y407 HydrophobicContact CE1-CD2 4.42Å; Y403-Y407 AromaticContact CE1-CE2 3.98Å; Y403-Y407 HydrophobicContact CE1-CE2 3.98Å; Y403-Y407 WeakPolarHBondContact O-CB 3.29Å; Y403-Y407 PolarHBondContact O-N 3.09Å; Y403-Y407 VanDerWaalsContact O-N 3.17Å; H405-Y407 PolarHBondContact O-N 2.89Å; Y407-S411 WeakPolarHBondContact O-CB 3.33Å
408	T	59.4	Low	54.8	Low	60 Å²	60	97.9 Å²	97.9	37%	0.368	47%	0.47	S	S	.	.	H	α-helix	trans	-83.2	-40.7	174.4	47.9	0	0	0	0	111.9	A404 H405 Y406 N412	A404-T408 WeakPolarHBondContact O-CG2 3.38Å; A404-T408 PolarHBondContact O-N 2.85Å; A404-T408 PolarHBondContact O-OG1 3.03Å; H405-T408 PolarHBondContact O-N 2.94Å; H405-T408 VanDerWaalsContact O-N 3.13Å; H405-T408 PolarHBondContact O-OG1 3.34Å; Y406-T408 PolarHBondContact O-N 3.05Å; T408-N412 PolarHBondContact O-N 2.74Å; T408-N412 PolarHBondContact O-ND2 3.31Å
409	H	53.2	Low	53.7	Low	79 Å²	79	103 Å²	103	37%	0.366	50%	0.497	S	S	.	.	H	α-helix	trans	-69.9	-48.8	176.4	-112	-100.1	0	0	0	113.2	H405 Y406 S411 N412 Q413	H405-H409 AromaticContact NE2-CD2 3.63Å; H405-H409 PolarHBondContact O-N 2.93Å; Y406-H409 PolarHBondContact O-N 2.84Å; H409-S411 PolarHBondContact O-N 3.15Å; H409-N412 PolarHBondContact O-N 3.15Å; H409-N412 VanDerWaalsContact O-N 3.14Å; H409-Q413 PolarHBondContact O-N 2.91Å
410	Y	53.5	Low	52.6	Low	105 Å²	105	106.1 Å²	106.1	41%	0.412	52%	0.521	S	S	.	.	H	α-helix	trans	-63.5	-40.4	-179.3	-121.2	-97.7	0	0	0	112.2	Y406 N412 Q413 W414	Y406-Y410 HydrophobicContact CD1-CD2 4.43Å; Y406-Y410 HydrophobicContact CD2-CD2 4.18Å; Y406-Y410 AromaticContact CE1-CD2 3.88Å; Y406-Y410 HydrophobicContact CE1-CD2 3.88Å; Y406-Y410 HydrophobicContact CE1-CE2 4.35Å; Y406-Y410 HydrophobicContact CE1-CG 4.06Å; Y406-Y410 AromaticContact CE2-CD2 3.6Å; Y406-Y410 HydrophobicContact CE2-CD2 3.6Å; Y406-Y410 AromaticContact CE2-CE2 3.67Å; Y406-Y410 HydrophobicContact CE2-CE2 3.67Å; Y406-Y410 AromaticContact CZ-CD2 3.44Å; Y406-Y410 VanDerWaalsContact CZ-CD2 3.44Å; Y406-Y410 AromaticContact CZ-CE2 3.51Å; Y406-Y410 WeakPolarHBondContact O-CB 3.33Å; Y406-Y410 PolarHBondContact O-N 3.15Å; Y406-Y410 VanDerWaalsContact OH-CE2 3.25Å; Y406-Y410 WeakPolarHBondContact OH-CE2 3.29Å; Y410-N412 PolarHBondContact O-N 3.06Å; Y410-Q413 PolarHBondContact O-N 3.03Å; Y410-W414 AromaticContact CD1-CD1 3.59Å; Y410-W414 HydrophobicContact CD1-CG 4.35Å; Y410-W414 AromaticContact CD1-NE1 3.77Å; Y410-W414 AromaticContact CE1-CD1 3.68Å; Y410-W414 AromaticContact CE1-NE1 3.33Å; Y410-W414 VanDerWaalsContact CE1-NE1 3.33Å; Y410-W414 WeakPolarHBondContact O-CB 3.2Å; Y410-W414 PolarHBondContact O-N 3.2Å
411	S	55.6	Low	51.9	Low	29 Å²	29	108 Å²	108	20%	0.203	53%	0.534	C	S	.	.	H	α-helix	trans	-65.2	-29.7	177.1	-160.7	0	0	0	0	112.2	Y407 H409 F425	Y407-S411 WeakPolarHBondContact O-CB 3.33Å; H409-S411 PolarHBondContact O-N 3.15Å; S411-F425 WeakPolarHBondContact O-CE2 3.32Å; S411-F425 WeakPolarHBondContact O-CZ 3.28Å; S411-F425 WeakPolarHBondContact OG-CE2 3.33Å; S411-F425 WeakPolarHBondContact OG-CZ 3.28Å
412	N	54.3	Low	52	Low	99 Å²	99	108.3 Å²	108.3	53%	0.529	54%	0.54	S	S	.	.	H	α-helix	trans	-78.9	-38.6	174.3	-70.5	-14.2	0	0	0	112.5	T408 H409 Y410 A415	T408-N412 PolarHBondContact O-N 2.74Å; T408-N412 PolarHBondContact O-ND2 3.31Å; H409-N412 PolarHBondContact O-N 3.15Å; H409-N412 VanDerWaalsContact O-N 3.14Å; Y410-N412 PolarHBondContact O-N 3.06Å; N412-A415 WeakPolarHBondContact O-CB 3.45Å
413	Q	54.2	Low	52.2	Low	127 Å²	127	113.4 Å²	113.4	59%	0.593	57%	0.566	S	S	*	*	H	α-helix	trans	-75.9	-32.7	-178.6	-72.4	179.9	-6.4	0	0	113.2	H409 Y410 A415	H409-Q413 PolarHBondContact O-N 2.91Å; Y410-Q413 PolarHBondContact O-N 3.03Å; Q413-A415 PolarHBondContact O-N 2.77Å
414	W	48.1	Very low	52.4	Low	185 Å²	185	109.7 Å²	109.7	70%	0.701	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	14.7	175.2	-79.8	65.8	0	0	0	113.9	Y410 L416	Y410-W414 AromaticContact CD1-CD1 3.59Å; Y410-W414 HydrophobicContact CD1-CG 4.35Å; Y410-W414 AromaticContact CD1-NE1 3.77Å; Y410-W414 AromaticContact CE1-CD1 3.68Å; Y410-W414 AromaticContact CE1-NE1 3.33Å; Y410-W414 VanDerWaalsContact CE1-NE1 3.33Å; Y410-W414 WeakPolarHBondContact O-CB 3.2Å; Y410-W414 PolarHBondContact O-N 3.2Å; W414-L416 PolarHBondContact O-N 3.23Å
415	A	42.3	Very low	52.4	Low	66 Å²	66	110.9 Å²	110.9	55%	0.545	56%	0.557	S	S	.	*			trans	-74.3	48.4	172.3	0	0	0	0	0	113	N412 Q413	N412-A415 WeakPolarHBondContact O-CB 3.45Å; Q413-A415 PolarHBondContact O-N 2.77Å
416	L	39.9	Very low	53.1	Low	135 Å²	135	110.7 Å²	110.7	71%	0.707	56%	0.559	S	S	*	*			trans	-66.4	140.4	167.4	-70.2	174.9	0	0	0	109.6	W414 E418	W414-L416 PolarHBondContact O-N 3.23Å; L416-E418 VanDerWaalsContact C-N 3.25Å; L416-E418 PolarHBondContact O-N 3.35Å
417	P	40.4	Very low	53.9	Low	130 Å²	130	112.1 Å²	112.1	84%	0.844	57%	0.571	S	S	*	*	S	Bend	trans	-80.9	56.8	-166.7	33.3	-38	0	0	0	114.3
418	E	43.9	Very low	54.7	Low	169 Å²	169	110 Å²	110	79%	0.79	57%	0.571	S	S	*	*	S	Bend	trans	-109.5	73.5	173.3	-69.5	-147.2	128.7	0	0	113	L416 V420	L416-E418 VanDerWaalsContact C-N 3.25Å; L416-E418 PolarHBondContact O-N 3.35Å; E418-V420 VanDerWaalsContact C-N 3.29Å; E418-V420 PolarHBondContact O-N 3.1Å
419	H	43.5	Very low	55.2	Low	186 Å²	186	111 Å²	111	86%	0.861	57%	0.571	S	S	*	*			trans	52.3	25.4	144.5	-144.1	-59.6	0	0	0	119.3
420	V	49.5	Very low	56	Low	117 Å²	117	112 Å²	112	71%	0.709	58%	0.576	S	S	*	*			trans	-87	139.4	166	-69.8	0	0	0	0	110.7	E418	E418-V420 VanDerWaalsContact C-N 3.29Å; E418-V420 PolarHBondContact O-N 3.1Å
421	N	51	Low	56.9	Low	110 Å²	110	109.8 Å²	109.8	59%	0.588	58%	0.58	S	S	*	*			trans	-68.6	133.6	-169	-51.2	-71.3	0	0	0	112.4	E423 S424 F425	N421-E423 PolarHBondContact O-N 3.01Å; N421-E423 VanDerWaalsContact O-N 3.13Å; N421-S424 WeakPolarHBondContact O-CB 3.39Å; N421-S424 PolarHBondContact O-N 3.09Å; N421-F425 PolarHBondContact O-N 2.95Å
422	D	58.6	Low	57.6	Low	135 Å²	135	110.2 Å²	110.2	72%	0.722	59%	0.585	S	S	*	*	H	α-helix	trans	-54.2	-35.7	-179.8	-60.8	-57.1	0	0	0	113.2	S424 F425 N426	D422-S424 VanDerWaalsContact C-N 3.34Å; D422-S424 PolarHBondContact O-N 3.28Å; D422-F425 PolarHBondContact O-N 3.3Å; D422-N426 PolarHBondContact O-N 3.01Å; D422-N426 VanDerWaalsContact O-N 3.08Å; D422-N426 PolarHBondContact O-ND2 3.35Å
423	E	61.2	Low	58.4	Low	156 Å²	156	111.7 Å²	111.7	73%	0.729	59%	0.586	S	S	*	*	H	α-helix	trans	-61.6	-39.6	175	-68.7	-166.5	127	0	0	112.2	N421 N426 I427	N421-E423 PolarHBondContact O-N 3.01Å; N421-E423 VanDerWaalsContact O-N 3.13Å; E423-N426 PolarHBondContact O-N 3.48Å; E423-I427 WeakPolarHBondContact O-CB 3.28Å; E423-I427 WeakPolarHBondContact O-CD1 3.37Å; E423-I427 WeakPolarHBondContact O-CG1 3.48Å; E423-I427 PolarHBondContact O-N 3.44Å
424	S	63.8	Low	59	Low	61 Å²	61	107.3 Å²	107.3	43%	0.427	57%	0.572	S	S	.	*	H	α-helix	trans	-66.5	-42.4	-179.1	-56.6	0	0	0	0	111.5	N421 D422 I427 V428	N421-S424 WeakPolarHBondContact O-CB 3.39Å; N421-S424 PolarHBondContact O-N 3.09Å; D422-S424 VanDerWaalsContact C-N 3.34Å; D422-S424 PolarHBondContact O-N 3.28Å; S424-I427 PolarHBondContact O-N 3.45Å; S424-V428 WeakPolarHBondContact O-CG2 3.25Å; S424-V428 PolarHBondContact O-N 2.95Å
425	F	61.6	Low	60.2	Low	73 Å²	73	101.4 Å²	101.4	32%	0.32	56%	0.563	S	S	.	*	H	α-helix	trans	-63.7	-46.8	176.3	-172	-86	0	0	0	111.4	S411 N421 D422 I427 V428 Q429	S411-F425 WeakPolarHBondContact O-CE2 3.32Å; S411-F425 WeakPolarHBondContact O-CZ 3.28Å; S411-F425 WeakPolarHBondContact OG-CE2 3.33Å; S411-F425 WeakPolarHBondContact OG-CZ 3.28Å; N421-F425 PolarHBondContact O-N 2.95Å; D422-F425 PolarHBondContact O-N 3.3Å; F425-I427 VanDerWaalsContact C-N 3.32Å; F425-I427 PolarHBondContact O-N 2.65Å; F425-V428 PolarHBondContact O-N 3.03Å; F425-Q429 PolarHBondContact O-N 2.68Å
426	N	69.1	Low	61.4	Low	93 Å²	93	100.3 Å²	100.3	50%	0.497	55%	0.554	S	S	.	*	H	α-helix	trans	-60.9	-38.4	174.9	-83.3	-95.3	0	0	0	112.6	D422 E423 Q429 E430	D422-N426 PolarHBondContact O-N 3.01Å; D422-N426 VanDerWaalsContact O-N 3.08Å; D422-N426 PolarHBondContact O-ND2 3.35Å; E423-N426 PolarHBondContact O-N 3.48Å; N426-Q429 PolarHBondContact O-N 3.31Å; N426-E430 WeakPolarHBondContact O-CB 3.15Å; N426-E430 PolarHBondContact O-N 3.17Å
427	I	72	Confident	62.8	Low	115 Å²	115	97.9 Å²	97.9	59%	0.59	54%	0.54	S	S	*	.	H	α-helix	trans	-65.3	-41.6	176.6	-73.8	163.5	0	0	0	111.2	E423 S424 F425 A431	E423-I427 WeakPolarHBondContact O-CB 3.28Å; E423-I427 WeakPolarHBondContact O-CD1 3.37Å; E423-I427 WeakPolarHBondContact O-CG1 3.48Å; E423-I427 PolarHBondContact O-N 3.44Å; S424-I427 PolarHBondContact O-N 3.45Å; F425-I427 VanDerWaalsContact C-N 3.32Å; F425-I427 PolarHBondContact O-N 2.65Å; I427-A431 WeakPolarHBondContact O-CB 3.31Å; I427-A431 PolarHBondContact O-N 2.98Å
428	V	73.1	Confident	64.1	Low	81 Å²	81	94.5 Å²	94.5	49%	0.491	52%	0.524	S	S	.	.	H	α-helix	trans	-64.5	-44.8	176.1	170.9	0	0	0	0	110.9	S424 F425 A431 A432	S424-V428 WeakPolarHBondContact O-CG2 3.25Å; S424-V428 PolarHBondContact O-N 2.95Å; F425-V428 PolarHBondContact O-N 3.03Å; V428-A431 PolarHBondContact O-N 3.13Å; V428-A432 WeakPolarHBondContact O-CB 3.48Å; V428-A432 PolarHBondContact O-N 3.43Å
429	Q	69.9	Low	65.3	Low	79 Å²	79	89.1 Å²	89.1	37%	0.369	51%	0.508	S	S	.	.	H	α-helix	trans	-64.1	-44.7	-179.6	-162.8	-179.1	44.1	0	0	112.5	F425 N426 K433	F425-Q429 PolarHBondContact O-N 2.68Å; N426-Q429 PolarHBondContact O-N 3.31Å; Q429-K433 WeakPolarHBondContact O-CB 3.37Å; Q429-K433 PolarHBondContact O-N 3.38Å
430	E	71.8	Confident	66.6	Low	102 Å²	102	81.7 Å²	81.7	48%	0.477	48%	0.479	S	S	.	.	H	α-helix	trans	-70	-31.4	176	-178.2	65.3	-176.2	0	0	112	N426 A434	N426-E430 WeakPolarHBondContact O-CB 3.15Å; N426-E430 PolarHBondContact O-N 3.17Å; E430-A434 VanDerWaalsContact O-CB 3.28Å; E430-A434 WeakPolarHBondContact O-CB 3.48Å; E430-A434 PolarHBondContact O-N 2.92Å
431	A	71.3	Confident	67.5	Low	58 Å²	58	78.8 Å²	78.8	48%	0.479	47%	0.467	S	S	.	.	H	α-helix	trans	-67.2	-45.5	173.6	0	0	0	0	0	112.2	I427 V428 K433 A434 A435	I427-A431 WeakPolarHBondContact O-CB 3.31Å; I427-A431 PolarHBondContact O-N 2.98Å; V428-A431 PolarHBondContact O-N 3.13Å; A431-K433 VanDerWaalsContact C-N 3.35Å; A431-K433 PolarHBondContact O-N 2.92Å; A431-A434 PolarHBondContact O-N 2.77Å; A431-A435 PolarHBondContact O-N 2.92Å
432	A	70.6	Confident	68.4	Low	38 Å²	38	76.1 Å²	76.1	31%	0.314	46%	0.46	S	S	.	.	H	α-helix	trans	-60.1	-45.2	174.9	0	0	0	0	0	111.3	V428 A434 A435 A436	V428-A432 WeakPolarHBondContact O-CB 3.48Å; V428-A432 PolarHBondContact O-N 3.43Å; A432-A434 VanDerWaalsContact C-N 3.35Å; A432-A434 PolarHBondContact O-N 3.47Å; A432-A435 WeakPolarHBondContact O-CB 3.42Å; A432-A435 PolarHBondContact O-N 3.39Å; A432-A436 PolarHBondContact O-N 2.9Å
433	K	70.2	Confident	69.2	Low	129 Å²	129	71.6 Å²	71.6	56%	0.561	44%	0.438	S	S	*	.	H	α-helix	trans	-61.2	-39.7	175.1	-169.3	176.5	-171.8	172.5	0	112.8	Q429 A431 I437	Q429-K433 WeakPolarHBondContact O-CB 3.37Å; Q429-K433 PolarHBondContact O-N 3.38Å; A431-K433 VanDerWaalsContact C-N 3.35Å; A431-K433 PolarHBondContact O-N 2.92Å; K433-I437 HydrophobicContact CG-CD1 4.44Å; K433-I437 WeakPolarHBondContact O-CD1 3.36Å; K433-I437 VanDerWaalsContact O-CG1 3.31Å; K433-I437 WeakPolarHBondContact O-CG1 3.5Å; K433-I437 PolarHBondContact O-N 3.02Å
434	A	68.3	Low	69.8	Low	36 Å²	36	67 Å²	67	30%	0.298	42%	0.418	S	S	.	.	H	α-helix	trans	-67.3	-37.4	175	0	0	0	0	0	112.5	E430 A431 A432 A438	E430-A434 VanDerWaalsContact O-CB 3.28Å; E430-A434 WeakPolarHBondContact O-CB 3.48Å; E430-A434 PolarHBondContact O-N 2.92Å; A431-A434 PolarHBondContact O-N 2.77Å; A432-A434 VanDerWaalsContact C-N 3.35Å; A432-A434 PolarHBondContact O-N 3.47Å; A434-A438 PolarHBondContact O-N 2.87Å; A434-A438 VanDerWaalsContact O-N 3.1Å
435	A	71.7	Confident	70.3	Confident	60 Å²	60	68 Å²	68	50%	0.496	42%	0.422	S	S	.	.	H	α-helix	trans	-66.5	-46.3	176.4	0	0	0	0	0	112.1	A431 A432 I437 A438 A439	A431-A435 PolarHBondContact O-N 2.92Å; A432-A435 WeakPolarHBondContact O-CB 3.42Å; A432-A435 PolarHBondContact O-N 3.39Å; A435-I437 VanDerWaalsContact C-N 3.33Å; A435-I437 PolarHBondContact O-N 2.83Å; A435-A438 WeakPolarHBondContact O-CB 3.22Å; A435-A438 PolarHBondContact O-N 3.42Å; A435-A439 PolarHBondContact O-N 3.01Å
436	A	67.9	Low	70.9	Confident	43 Å²	43	68.8 Å²	68.8	36%	0.355	43%	0.432	S	S	.	.	H	α-helix	trans	-58.1	-42.9	176.4	0	0	0	0	0	112.3	A432 A438 A439 A440	A432-A436 PolarHBondContact O-N 2.9Å; A436-A438 VanDerWaalsContact C-N 3.32Å; A436-A438 PolarHBondContact O-N 3.34Å; A436-A439 PolarHBondContact O-N 3.32Å; A436-A440 WeakPolarHBondContact O-CB 3.48Å; A436-A440 PolarHBondContact O-N 3.47Å
437	I	69.1	Low	71.1	Confident	84 Å²	84	67.7 Å²	67.7	43%	0.431	42%	0.424	S	S	.	.	H	α-helix	trans	-64.4	-36.5	175.1	-66.8	166.7	0	0	0	111.5	K433 A435 A441	K433-I437 HydrophobicContact CG-CD1 4.44Å; K433-I437 WeakPolarHBondContact O-CD1 3.36Å; K433-I437 VanDerWaalsContact O-CG1 3.31Å; K433-I437 WeakPolarHBondContact O-CG1 3.5Å; K433-I437 PolarHBondContact O-N 3.02Å; A435-I437 VanDerWaalsContact C-N 3.33Å; A435-I437 PolarHBondContact O-N 2.83Å; I437-A441 WeakPolarHBondContact O-CB 3.29Å; I437-A441 PolarHBondContact O-N 3.19Å; I437-A441 VanDerWaalsContact O-N 3.08Å
438	A	67.9	Low	71.1	Confident	60 Å²	60	67.8 Å²	67.8	50%	0.496	42%	0.422	S	S	.	.	H	α-helix	trans	-69.4	-41.2	177	0	0	0	0	0	112.2	A434 A435 A436 A441 A442	A434-A438 PolarHBondContact O-N 2.87Å; A434-A438 VanDerWaalsContact O-N 3.1Å; A435-A438 WeakPolarHBondContact O-CB 3.22Å; A435-A438 PolarHBondContact O-N 3.42Å; A436-A438 VanDerWaalsContact C-N 3.32Å; A436-A438 PolarHBondContact O-N 3.34Å; A438-A441 PolarHBondContact O-N 3.14Å; A438-A442 WeakPolarHBondContact O-CB 3.29Å; A438-A442 PolarHBondContact O-N 2.86Å
439	A	69.1	Low	70.8	Confident	56 Å²	56	67.9 Å²	67.9	46%	0.463	42%	0.423	S	S	.	.	H	α-helix	trans	-62.7	-48.4	174.7	0	0	0	0	0	111.5	A435 A436 A441 A442 V443	A435-A439 PolarHBondContact O-N 3.01Å; A436-A439 PolarHBondContact O-N 3.32Å; A439-A441 VanDerWaalsContact C-N 3.28Å; A439-A441 PolarHBondContact O-N 2.95Å; A439-A442 PolarHBondContact O-N 3.3Å; A439-A442 VanDerWaalsContact O-N 3.08Å; A439-V443 WeakPolarHBondContact O-CG2 3.12Å; A439-V443 PolarHBondContact O-N 2.97Å
440	A	70.1	Confident	70.4	Confident	30 Å²	30	71.1 Å²	71.1	25%	0.248	43%	0.431	C	S	.	.	H	α-helix	trans	-59.1	-38	176.6	0	0	0	0	0	112.7	A436 N444	A436-A440 WeakPolarHBondContact O-CB 3.48Å; A436-A440 PolarHBondContact O-N 3.47Å; A440-N444 WeakPolarHBondContact O-CB 3.35Å; A440-N444 PolarHBondContact O-N 2.67Å; A440-N444 VanDerWaalsContact O-N 3.13Å
441	A	69	Low	69.7	Low	55 Å²	55	72.8 Å²	72.8	46%	0.455	44%	0.443	S	S	.	.	H	α-helix	trans	-68.3	-39.5	174.1	0	0	0	0	0	112.5	I437 A438 A439 N444 V445	I437-A441 WeakPolarHBondContact O-CB 3.29Å; I437-A441 PolarHBondContact O-N 3.19Å; I437-A441 VanDerWaalsContact O-N 3.08Å; A438-A441 PolarHBondContact O-N 3.14Å; A439-A441 VanDerWaalsContact C-N 3.28Å; A439-A441 PolarHBondContact O-N 2.95Å; A441-N444 PolarHBondContact O-N 2.87Å; A441-V445 WeakPolarHBondContact O-CG2 3.41Å; A441-V445 PolarHBondContact O-N 2.91Å
442	A	70.6	Confident	68.9	Low	54 Å²	54	78.9 Å²	78.9	45%	0.446	46%	0.459	S	S	.	.	H	α-helix	trans	-64.6	-45.4	177	0	0	0	0	0	112	A438 A439 N444 V445 V446	A438-A442 WeakPolarHBondContact O-CB 3.29Å; A438-A442 PolarHBondContact O-N 2.86Å; A439-A442 PolarHBondContact O-N 3.3Å; A439-A442 VanDerWaalsContact O-N 3.08Å; A442-N444 VanDerWaalsContact C-N 3.34Å; A442-N444 PolarHBondContact O-N 3.35Å; A442-V445 PolarHBondContact O-N 3.05Å; A442-V446 WeakPolarHBondContact O-CG2 3.06Å; A442-V446 PolarHBondContact O-N 3.18Å
443	V	75.2	Confident	68.1	Low	41 Å²	41	81.2 Å²	81.2	25%	0.248	48%	0.478	C	S	.	.	H	α-helix	trans	-59.1	-44.7	174.8	173	0	0	0	0	111	A439 V445 V446 Q447	A439-V443 WeakPolarHBondContact O-CG2 3.12Å; A439-V443 PolarHBondContact O-N 2.97Å; V443-V445 PolarHBondContact O-N 3.17Å; V443-V446 PolarHBondContact O-N 3.47Å; V443-V446 VanDerWaalsContact O-N 3.15Å; V443-Q447 HydrophobicContact CG1-CG 4.49Å; V443-Q447 WeakPolarHBondContact O-CG 3.32Å; V443-Q447 PolarHBondContact O-N 3.02Å
444	N	74.5	Confident	66.8	Low	59 Å²	59	78.7 Å²	78.7	32%	0.316	48%	0.476	S	S	.	.	H	α-helix	trans	-65.1	-37.2	178.2	-162.2	-33.3	0	0	0	111.9	A440 A441 A442 Q447 Q448	A440-N444 WeakPolarHBondContact O-CB 3.35Å; A440-N444 PolarHBondContact O-N 2.67Å; A440-N444 VanDerWaalsContact O-N 3.13Å; A441-N444 PolarHBondContact O-N 2.87Å; A442-N444 VanDerWaalsContact C-N 3.34Å; A442-N444 PolarHBondContact O-N 3.35Å; N444-Q447 PolarHBondContact O-N 3.13Å; N444-Q448 WeakPolarHBondContact O-CB 3.49Å; N444-Q448 VanDerWaalsContact O-CG 3.3Å; N444-Q448 WeakPolarHBondContact O-CG 3.42Å; N444-Q448 PolarHBondContact O-N 2.86Å; N444-Q448 PolarHBondContact OD1-NE2 3.43Å
445	V	73.1	Confident	65.3	Low	83 Å²	83	80.5 Å²	80.5	50%	0.503	49%	0.491	S	S	.	.	H	α-helix	trans	-64.3	-40.5	171.1	169.7	0	0	0	0	111.8	A441 A442 V443 Q448 T449	A441-V445 WeakPolarHBondContact O-CG2 3.41Å; A441-V445 PolarHBondContact O-N 2.91Å; A442-V445 PolarHBondContact O-N 3.05Å; V443-V445 PolarHBondContact O-N 3.17Å; V445-Q448 PolarHBondContact O-N 3.05Å; V445-T449 WeakPolarHBondContact O-CG2 3.32Å; V445-T449 PolarHBondContact O-N 2.77Å; V445-T449 PolarHBondContact O-OG1 3.1Å
446	V	75	Confident	64	Low	88 Å²	88	82.7 Å²	82.7	53%	0.533	50%	0.501	S	S	.	.	H	α-helix	trans	-65.9	-37	175.5	171.4	0	0	0	0	111.8	A442 V443 T449 R450	A442-V446 WeakPolarHBondContact O-CG2 3.06Å; A442-V446 PolarHBondContact O-N 3.18Å; V443-V446 PolarHBondContact O-N 3.47Å; V443-V446 VanDerWaalsContact O-N 3.15Å; V446-T449 WeakPolarHBondContact CA-OG1 3.45Å; V446-T449 PolarHBondContact O-N 2.84Å; V446-T449 PolarHBondContact O-OG1 3.44Å; V446-T449 VanDerWaalsContact O-OG1 3.09Å; V446-R450 WeakPolarHBondContact O-CB 3.47Å; V446-R450 PolarHBondContact O-N 2.86Å
447	Q	73.7	Confident	62.8	Low	71 Å²	71	87.7 Å²	87.7	33%	0.332	53%	0.526	S	S	.	.	H	α-helix	trans	-65.1	-44.4	172.1	-71	172.7	-0.1	0	0	111.1	V443 N444 T449 R450 L451	V443-Q447 HydrophobicContact CG1-CG 4.49Å; V443-Q447 WeakPolarHBondContact O-CG 3.32Å; V443-Q447 PolarHBondContact O-N 3.02Å; N444-Q447 PolarHBondContact O-N 3.13Å; Q447-T449 VanDerWaalsContact C-N 3.35Å; Q447-T449 PolarHBondContact O-N 2.89Å; Q447-R450 PolarHBondContact O-N 3.11Å; Q447-L451 WeakPolarHBondContact O-CB 3.23Å; Q447-L451 VanDerWaalsContact O-CG 3.29Å; Q447-L451 WeakPolarHBondContact O-CG 3.33Å; Q447-L451 PolarHBondContact O-N 3.12Å
448	Q	71	Confident	61.6	Low	117 Å²	117	90.6 Å²	90.6	55%	0.547	54%	0.54	S	S	.	.	H	α-helix	trans	-65	-33.9	176.1	-71.7	175.3	33.1	0	0	113	N444 V445 K452	N444-Q448 WeakPolarHBondContact O-CB 3.49Å; N444-Q448 VanDerWaalsContact O-CG 3.3Å; N444-Q448 WeakPolarHBondContact O-CG 3.42Å; N444-Q448 PolarHBondContact O-N 2.86Å; N444-Q448 PolarHBondContact OD1-NE2 3.43Å; V445-Q448 PolarHBondContact O-N 3.05Å; Q448-K452 VanDerWaalsContact O-CB 3.24Å; Q448-K452 WeakPolarHBondContact O-CB 3.13Å; Q448-K452 PolarHBondContact O-N 2.69Å; Q448-K452 VanDerWaalsContact O-N 3.15Å
449	T	66	Low	60.5	Low	83 Å²	83	96.9 Å²	96.9	51%	0.509	56%	0.556	S	S	.	*	H	α-helix	trans	-76.2	-36.7	173	57.1	0	0	0	0	112.4	V445 V446 Q447 K452 A453	V445-T449 WeakPolarHBondContact O-CG2 3.32Å; V445-T449 PolarHBondContact O-N 2.77Å; V445-T449 PolarHBondContact O-OG1 3.1Å; V446-T449 WeakPolarHBondContact CA-OG1 3.45Å; V446-T449 PolarHBondContact O-N 2.84Å; V446-T449 PolarHBondContact O-OG1 3.44Å; V446-T449 VanDerWaalsContact O-OG1 3.09Å; Q447-T449 VanDerWaalsContact C-N 3.35Å; Q447-T449 PolarHBondContact O-N 2.89Å; T449-K452 CarbonylContact O-C 3.53Å; T449-K452 PolarHBondContact O-N 3.3Å; T449-A453 VanDerWaalsContact O-CB 3.26Å; T449-A453 WeakPolarHBondContact O-CB 3.36Å; T449-A453 PolarHBondContact O-N 2.79Å
450	R	62.2	Low	59.6	Low	146 Å²	146	98.9 Å²	98.9	55%	0.551	56%	0.556	S	S	*	*	H	α-helix	trans	-57.5	-54.6	168.9	-103.7	-169.9	174.6	-139.4	-8.1	110.5	E389 V446 Q447 K452 A453 S454	E389-R450 IonicContact OE1-CZ 3.26Å; E389-R450 VanDerWaalsContact OE1-CZ 3.26Å; E389-R450 IonicContact OE1-NH1 2.89Å; E389-R450 PolarHBondContact OE1-NH1 3.07Å; E389-R450 IonicContact OE1-NH2 2.69Å; E389-R450 PolarHBondContact OE1-NH2 3.46Å; V446-R450 WeakPolarHBondContact O-CB 3.47Å; V446-R450 PolarHBondContact O-N 2.86Å; Q447-R450 PolarHBondContact O-N 3.11Å; R450-K452 PolarHBondContact O-N 3.39Å; R450-K452 VanDerWaalsContact O-N 3.1Å; R450-A453 CarbonylContact O-C 3.54Å; R450-A453 PolarHBondContact O-N 3.39Å; R450-S454 PolarHBondContact O-N 2.7Å; R450-S454 PolarHBondContact O-OG 2.76Å; R450-S454 VanDerWaalsContact O-OG 3.05Å
451	L	58.3	Low	58.9	Low	138 Å²	138	100.2 Å²	100.2	72%	0.723	56%	0.562	S	S	*	*	H	α-helix	trans	-60.7	-22.4	179.2	-69	171.4	0	0	0	113.9	Q447	Q447-L451 WeakPolarHBondContact O-CB 3.23Å; Q447-L451 VanDerWaalsContact O-CG 3.29Å; Q447-L451 WeakPolarHBondContact O-CG 3.33Å; Q447-L451 PolarHBondContact O-N 3.12Å
452	K	53.6	Low	58.4	Low	186 Å²	186	104 Å²	104	81%	0.809	58%	0.582	S	S	*	*	H	α-helix	trans	-92.3	-15.5	175	-166.7	168.7	-176.8	175.8	0	113.9	Q448 T449 R450	Q448-K452 VanDerWaalsContact O-CB 3.24Å; Q448-K452 WeakPolarHBondContact O-CB 3.13Å; Q448-K452 PolarHBondContact O-N 2.69Å; Q448-K452 VanDerWaalsContact O-N 3.15Å; T449-K452 CarbonylContact O-C 3.53Å; T449-K452 PolarHBondContact O-N 3.3Å; R450-K452 PolarHBondContact O-N 3.39Å; R450-K452 VanDerWaalsContact O-N 3.1Å
453	A	53.1	Low	58.1	Low	86 Å²	86	102.4 Å²	102.4	71%	0.711	57%	0.566	S	S	*	*	H	α-helix	trans	-99.2	-31	176.1	0	0	0	0	0	112.6	T449 R450 A455	T449-A453 VanDerWaalsContact O-CB 3.26Å; T449-A453 WeakPolarHBondContact O-CB 3.36Å; T449-A453 PolarHBondContact O-N 2.79Å; R450-A453 CarbonylContact O-C 3.54Å; R450-A453 PolarHBondContact O-N 3.39Å; A453-A455 VanDerWaalsContact C-N 3.31Å; A453-A455 PolarHBondContact O-N 2.89Å
454	S	43.1	Very low	58.3	Low	76 Å²	76	103.2 Å²	103.2	53%	0.531	57%	0.573	S	S	.	*			trans	-92	54	176.5	71.6	0	0	0	0	111.8	R450 P456	R450-S454 PolarHBondContact O-N 2.7Å; R450-S454 PolarHBondContact O-OG 2.76Å; R450-S454 VanDerWaalsContact O-OG 3.05Å; S454-P456 WeakPolarHBondContact O-CD 3.36Å
455	A	37	Very low	58.6	Low	74 Å²	74	107 Å²	107	61%	0.612	59%	0.594	S	S	*	*			trans	-65.1	117.2	155.2	0	0	0	0	0	106.5	A453 V457	A453-A455 VanDerWaalsContact C-N 3.31Å; A453-A455 PolarHBondContact O-N 2.89Å; A455-V457 PolarHBondContact O-N 3.11Å
456	P	44.5	Very low	59.3	Low	107 Å²	107	109 Å²	109	70%	0.695	60%	0.597	S	S	*	*			trans	-62.7	127.3	179.8	25.8	-33	0	0	0	108.3	S454 M458	S454-P456 WeakPolarHBondContact O-CD 3.36Å; P456-M458 PolarHBondContact O-N 3.06Å
457	V	42.1	Very low	59.9	Low	148 Å²	148	109.1 Å²	109.1	90%	0.897	59%	0.592	S	S	*	*			trans	-73.2	74.4	169.9	-175.8	0	0	0	0	107.5	A455 F459	A455-V457 PolarHBondContact O-N 3.11Å; V457-F459 PolarHBondContact O-N 2.82Å
458	M	45.3	Very low	60.6	Low	145 Å²	145	109 Å²	109	71%	0.714	59%	0.589	S	S	*	*			trans	-52.4	122	166.8	-80.9	-75	-72.3	0	0	107.5	P456 E460	P456-M458 PolarHBondContact O-N 3.06Å; M458-E460 VanDerWaalsContact C-N 3.25Å; M458-E460 PolarHBondContact O-N 3.36Å
459	F	44.7	Very low	61.4	Low	192 Å²	192	104.7 Å²	104.7	84%	0.842	58%	0.576	S	S	*	*			trans	-66.7	87.1	176.1	-177.4	-94.3	0	0	0	108.7	V457 P461	V457-F459 PolarHBondContact O-N 2.82Å; F459-P461 WeakPolarHBondContact O-CD 3.48Å
460	E	49.2	Very low	62.7	Low	98 Å²	98	102.6 Å²	102.6	46%	0.458	56%	0.561	S	S	.	*			trans	-74.7	119.1	-179.4	-159.7	-169.3	-115.7	0	0	109	M458 L463 R468	M458-E460 VanDerWaalsContact C-N 3.25Å; M458-E460 PolarHBondContact O-N 3.36Å; E460-L463 HydrophobicContact CG-CD1 4.17Å; E460-R468 IonicContact OE1-CZ 3.44Å; E460-R468 IonicContact OE1-NH1 3.87Å; E460-R468 IonicContact OE1-NH2 3.73Å; E460-R468 PolarHBondContact OE1-NH2 3.48Å; E460-R468 IonicContact OE2-CZ 3.28Å; E460-R468 IonicContact OE2-NH2 2.67Å; E460-R468 PolarHBondContact OE2-NH2 3.18Å
461	P	55.7	Low	64.1	Low	57 Å²	57	95.6 Å²	95.6	37%	0.37	54%	0.535	S	S	.	.			trans	-60.6	146.3	170.9	-19.1	32.6	0	0	0	109.4	F459 L463	F459-P461 WeakPolarHBondContact O-CD 3.48Å; P461-L463 VanDerWaalsContact C-N 3.3Å; P461-L463 PolarHBondContact O-N 3.14Å
462	P	58.6	Low	65.7	Low	135 Å²	135	91.2 Å²	91.2	88%	0.877	51%	0.512	S	S	*	.			trans	-64.7	89.2	-177.2	26.2	-34.7	0	0	0	111.4	S464	P462-S464 PolarHBondContact O-N 3.1Å
463	L	63.5	Low	67.6	Low	21 Å²	21	88.6 Å²	88.6	11%	0.11	50%	0.5	C	S	.	.			trans	-65.2	125.3	176.5	-88.4	161.2	0	0	0	110.1	E460 P461 Q467 R468 I471 L508 Y511	E460-L463 HydrophobicContact CG-CD1 4.17Å; P461-L463 VanDerWaalsContact C-N 3.3Å; P461-L463 PolarHBondContact O-N 3.14Å; L463-Q467 HydrophobicContact CD2-CB 4.07Å; L463-R468 HydrophobicContact CB-CG 3.93Å; L463-R468 HydrophobicContact CD1-CG 3.92Å; L463-R468 HydrophobicContact CD2-CG 4.31Å; L463-R468 HydrophobicContact CG-CG 4.29Å; L463-I471 HydrophobicContact CD2-CD1 4.33Å; L463-L508 HydrophobicContact CD2-CD1 3.62Å; L463-L508 HydrophobicContact CD2-CD2 3.73Å; L463-L508 HydrophobicContact CD2-CG 4.27Å; L463-L508 HydrophobicContact CG-CD2 4.17Å; L463-Y511 HydrophobicContact CD1-CD1 4.2Å; L463-Y511 HydrophobicContact CD1-CD2 4.41Å; L463-Y511 HydrophobicContact CD1-CE1 4.41Å; L463-Y511 HydrophobicContact CD1-CG 4.24Å
464	S	79.1	Confident	69.5	Low	57 Å²	57	85.3 Å²	85.3	40%	0.399	47%	0.471	S	S	.	.			trans	-63.1	142	164.4	170.8	0	0	0	0	110.1	P462 E466 Q467 R468	P462-S464 PolarHBondContact O-N 3.1Å; S464-E466 PolarHBondContact O-N 2.72Å; S464-E466 VanDerWaalsContact O-N 3.17Å; S464-E466 PolarHBondContact OG-N 2.98Å; S464-Q467 WeakPolarHBondContact O-CA 3.18Å; S464-Q467 WeakPolarHBondContact O-CB 3.39Å; S464-Q467 PolarHBondContact O-N 2.76Å; S464-R468 PolarHBondContact O-N 3.25Å
465	D	82.7	Confident	71.9	Confident	139 Å²	139	81.7 Å²	81.7	74%	0.743	45%	0.445	S	S	*	.	H	α-helix	trans	-55.6	-31.7	173.8	-72.2	-38.5	0	0	0	112.1	G469	D465-G469 PolarHBondContact O-N 3.25Å
466	E	86	Confident	74.5	Confident	125 Å²	125	82.1 Å²	82.1	58%	0.584	44%	0.435	S	S	*	.	H	α-helix	trans	-64.3	-44.7	172.8	-171.6	-177	178.7	0	0	111.2	S464 G469 I470	S464-E466 PolarHBondContact O-N 2.72Å; S464-E466 VanDerWaalsContact O-N 3.17Å; S464-E466 PolarHBondContact OG-N 2.98Å; E466-G469 PolarHBondContact O-N 3.21Å; E466-I470 HydrophobicContact CG-CD1 3.94Å; E466-I470 VanDerWaalsContact O-CG1 3.26Å; E466-I470 WeakPolarHBondContact O-CG1 3.01Å; E466-I470 PolarHBondContact O-N 2.91Å
467	Q	87.8	Confident	76.7	Confident	90 Å²	90	82.4 Å²	82.4	42%	0.421	42%	0.423	S	S	.	.	H	α-helix	trans	-66	-45.5	179.1	-67.8	169.2	-34.3	0	0	111.2	L463 S464 G469 I470 I471	L463-Q467 HydrophobicContact CD2-CB 4.07Å; S464-Q467 WeakPolarHBondContact O-CA 3.18Å; S464-Q467 WeakPolarHBondContact O-CB 3.39Å; S464-Q467 PolarHBondContact O-N 2.76Å; Q467-G469 VanDerWaalsContact C-N 3.32Å; Q467-G469 PolarHBondContact O-N 3.3Å; Q467-I470 PolarHBondContact O-N 3.02Å; Q467-I471 WeakPolarHBondContact O-CB 3.33Å; Q467-I471 VanDerWaalsContact O-CG1 3.26Å; Q467-I471 WeakPolarHBondContact O-CG1 3.46Å; Q467-I471 PolarHBondContact O-N 3.42Å
468	R	88.4	Confident	79.2	Confident	69 Å²	69	75.5 Å²	75.5	26%	0.26	38%	0.381	S	S	.	.	H	α-helix	trans	-56.2	-46.4	170.7	-84.9	175.8	178.3	-76.2	14.4	111.4	E460 L463 S464 I470 I471 N472 Y511	E460-R468 IonicContact OE1-CZ 3.44Å; E460-R468 IonicContact OE1-NH1 3.87Å; E460-R468 IonicContact OE1-NH2 3.73Å; E460-R468 PolarHBondContact OE1-NH2 3.48Å; E460-R468 IonicContact OE2-CZ 3.28Å; E460-R468 IonicContact OE2-NH2 2.67Å; E460-R468 PolarHBondContact OE2-NH2 3.18Å; L463-R468 HydrophobicContact CB-CG 3.93Å; L463-R468 HydrophobicContact CD1-CG 3.92Å; L463-R468 HydrophobicContact CD2-CG 4.31Å; L463-R468 HydrophobicContact CG-CG 4.29Å; S464-R468 PolarHBondContact O-N 3.25Å; R468-I470 VanDerWaalsContact C-N 3.33Å; R468-I470 PolarHBondContact O-N 3.43Å; R468-I471 PolarHBondContact O-N 2.87Å; R468-N472 VanDerWaalsContact O-CB 3.31Å; R468-N472 WeakPolarHBondContact O-CB 3.48Å; R468-N472 PolarHBondContact O-N 2.9Å; R468-N472 PolarHBondContact O-OD1 3.45Å; R468-Y511 HydrophobicContact CG-CE1 4.36Å; R468-Y511 PolarHBondContact NH1-OH 3.1Å; R468-Y511 VanDerWaalsContact NH1-OH 3.14Å
469	G	89.5	Confident	81.4	Confident	27 Å²	27	70.6 Å²	70.6	28%	0.278	36%	0.359	S	S	.	.	H	α-helix	trans	-62.8	-35.2	179.9	0	0	0	0	0	113.8	D465 E466 Q467 K473	D465-G469 PolarHBondContact O-N 3.25Å; E466-G469 PolarHBondContact O-N 3.21Å; Q467-G469 VanDerWaalsContact C-N 3.32Å; Q467-G469 PolarHBondContact O-N 3.3Å; G469-K473 WeakPolarHBondContact O-CB 3.36Å; G469-K473 VanDerWaalsContact O-CD 3.3Å; G469-K473 WeakPolarHBondContact O-CD 3.49Å; G469-K473 WeakPolarHBondContact O-CG 3.47Å; G469-K473 PolarHBondContact O-N 3.06Å
470	I	91.7	Very high	83.5	Confident	38 Å²	38	68.9 Å²	68.9	20%	0.195	35%	0.347	C	S	.	.	H	α-helix	trans	-73.9	-47.7	174.7	-66	164.2	0	0	0	110.5	E466 Q467 R468 K473 M474 R498 F501	E466-I470 HydrophobicContact CG-CD1 3.94Å; E466-I470 VanDerWaalsContact O-CG1 3.26Å; E466-I470 WeakPolarHBondContact O-CG1 3.01Å; E466-I470 PolarHBondContact O-N 2.91Å; Q467-I470 PolarHBondContact O-N 3.02Å; R468-I470 VanDerWaalsContact C-N 3.33Å; R468-I470 PolarHBondContact O-N 3.43Å; I470-K473 PolarHBondContact O-N 3.41Å; I470-M474 WeakPolarHBondContact O-CB 3.43Å; I470-M474 PolarHBondContact O-N 2.91Å; I470-R498 HydrophobicContact CD1-CB 4.27Å; I470-R498 HydrophobicContact CD1-CG 4.48Å; I470-F501 HydrophobicContact CG2-CE1 3.78Å; I470-F501 HydrophobicContact CG2-CZ 4.14Å
471	I	92.9	Very high	85.5	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-63.8	-45.7	-177.6	-65.8	166.6	0	0	0	111.2	L463 Q467 R468 K473 M474 A475 F501 L508 Y511 Y512	L463-I471 HydrophobicContact CD2-CD1 4.33Å; Q467-I471 WeakPolarHBondContact O-CB 3.33Å; Q467-I471 VanDerWaalsContact O-CG1 3.26Å; Q467-I471 WeakPolarHBondContact O-CG1 3.46Å; Q467-I471 PolarHBondContact O-N 3.42Å; R468-I471 PolarHBondContact O-N 2.87Å; I471-K473 PolarHBondContact O-N 3.38Å; I471-M474 PolarHBondContact O-N 3.3Å; I471-M474 VanDerWaalsContact O-N 3.13Å; I471-A475 PolarHBondContact O-N 2.97Å; I471-F501 HydrophobicContact CB-CE2 4.44Å; I471-F501 HydrophobicContact CB-CZ 4.45Å; I471-F501 HydrophobicContact CD1-CB 4.31Å; I471-F501 HydrophobicContact CD1-CD1 4.15Å; I471-F501 HydrophobicContact CD1-CG 4.1Å; I471-F501 HydrophobicContact CG1-CB 4.41Å; I471-F501 HydrophobicContact CG1-CD1 3.56Å; I471-F501 HydrophobicContact CG1-CD2 3.87Å; I471-F501 HydrophobicContact CG1-CE1 3.65Å; I471-F501 HydrophobicContact CG1-CE2 3.96Å; I471-F501 HydrophobicContact CG1-CG 3.67Å; I471-F501 HydrophobicContact CG1-CZ 3.86Å; I471-F501 HydrophobicContact CG2-CD2 4.47Å; I471-F501 HydrophobicContact CG2-CE2 4.42Å; I471-L508 HydrophobicContact CD1-CB 4.01Å; I471-L508 HydrophobicContact CD1-CD1 4.03Å; I471-Y511 HydrophobicContact CB-CD1 4.22Å; I471-Y511 HydrophobicContact CB-CE1 4.15Å; I471-Y511 HydrophobicContact CD1-CD1 3.94Å; I471-Y511 HydrophobicContact CD1-CE1 4.48Å; I471-Y511 HydrophobicContact CG2-CD1 3.68Å; I471-Y511 HydrophobicContact CG2-CE1 3.83Å; I471-Y512 HydrophobicContact CG2-CD2 4.05Å; I471-Y512 HydrophobicContact CG2-CG 4.39Å
472	N	92.1	Very high	87	Confident	46 Å²	46	67.1 Å²	67.1	25%	0.246	35%	0.345	C	S	.	.	H	α-helix	trans	-60	-45.8	178.3	-68.9	-7.2	0	0	0	111.2	R468 M474 A475 E476 Y511	R468-N472 VanDerWaalsContact O-CB 3.31Å; R468-N472 WeakPolarHBondContact O-CB 3.48Å; R468-N472 PolarHBondContact O-N 2.9Å; R468-N472 PolarHBondContact O-OD1 3.45Å; N472-M474 VanDerWaalsContact C-N 3.33Å; N472-M474 PolarHBondContact O-N 3.23Å; N472-A475 PolarHBondContact O-N 3.5Å; N472-E476 PolarHBondContact O-N 3.08Å; N472-Y511 PolarHBondContact OD1-OH 2.82Å
473	K	92.7	Very high	88.4	Confident	130 Å²	130	65.7 Å²	65.7	57%	0.565	33%	0.33	S	S	*	.	H	α-helix	trans	-62.4	-39.4	174.8	-73.4	171.9	-172.8	169.4	0	111.9	G469 I470 I471 E476 Y477	G469-K473 WeakPolarHBondContact O-CB 3.36Å; G469-K473 VanDerWaalsContact O-CD 3.3Å; G469-K473 WeakPolarHBondContact O-CD 3.49Å; G469-K473 WeakPolarHBondContact O-CG 3.47Å; G469-K473 PolarHBondContact O-N 3.06Å; I470-K473 PolarHBondContact O-N 3.41Å; I471-K473 PolarHBondContact O-N 3.38Å; K473-E476 PolarHBondContact O-N 2.94Å; K473-Y477 WeakPolarHBondContact O-CB 3.34Å; K473-Y477 WeakPolarHBondContact O-CD2 3.47Å; K473-Y477 PolarHBondContact O-N 3.12Å
474	M	92.9	Very high	89.5	Confident	17 Å²	17	71.4 Å²	71.4	8%	0.084	36%	0.356	C	S	.	.	H	α-helix	trans	-68.1	-38.8	179.1	-158	93.8	-49.5	0	0	112	I470 I471 N472 Y477 V478 F485 V489 F499 F501 L502 Y512	I470-M474 WeakPolarHBondContact O-CB 3.43Å; I470-M474 PolarHBondContact O-N 2.91Å; I471-M474 PolarHBondContact O-N 3.3Å; I471-M474 VanDerWaalsContact O-N 3.13Å; N472-M474 VanDerWaalsContact C-N 3.33Å; N472-M474 PolarHBondContact O-N 3.23Å; M474-Y477 PolarHBondContact O-N 3.18Å; M474-V478 WeakPolarHBondContact O-CB 3.39Å; M474-V478 WeakPolarHBondContact O-CG2 3.37Å; M474-V478 PolarHBondContact O-N 3.31Å; M474-F485 HydrophobicContact CE-CE1 3.89Å; M474-F485 HydrophobicContact CE-CZ 4.38Å; M474-F485 HydrophobicContact SD-CE1 4.41Å; M474-V489 HydrophobicContact SD-CG1 4Å; M474-V489 HydrophobicContact SD-CG2 4.21Å; M474-F499 HydrophobicContact CE-CE1 4.2Å; M474-F499 HydrophobicContact SD-CD1 3.87Å; M474-F499 HydrophobicContact SD-CE1 3.72Å; M474-F501 HydrophobicContact CB-CE2 3.94Å; M474-F501 HydrophobicContact CB-CZ 3.73Å; M474-F501 HydrophobicContact CG-CE2 4.07Å; M474-F501 HydrophobicContact CG-CZ 3.99Å; M474-L502 HydrophobicContact CG-CD1 4.23Å; M474-L502 HydrophobicContact CG-CD2 4.25Å; M474-L502 HydrophobicContact SD-CD1 4.15Å; M474-Y512 HydrophobicContact CB-CE2 4.44Å; M474-Y512 HydrophobicContact CG-CE2 4.48Å
475	A	92.9	Very high	90.1	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-60.9	-49.9	171	0	0	0	0	0	110.9	I471 N472 Y477 V478 V479 Y512 K515 L519	I471-A475 PolarHBondContact O-N 2.97Å; N472-A475 PolarHBondContact O-N 3.5Å; A475-Y477 VanDerWaalsContact C-N 3.32Å; A475-Y477 PolarHBondContact O-N 3.26Å; A475-V478 PolarHBondContact O-N 3.48Å; A475-V479 WeakPolarHBondContact O-CG2 3.49Å; A475-V479 PolarHBondContact O-N 3.18Å; A475-Y512 HydrophobicContact CB-CD2 4.33Å; A475-Y512 HydrophobicContact CB-CE2 4.19Å; A475-K515 HydrophobicContact CB-CB 4.06Å; A475-K515 HydrophobicContact CB-CG 3.83Å; A475-L519 HydrophobicContact CB-CD1 3.83Å
476	E	91.9	Very high	90.5	Very high	83 Å²	83	65.6 Å²	65.6	39%	0.388	32%	0.317	S	S	.	.	H	α-helix	trans	-56.4	-40.5	175.1	-75.9	-178.4	-129.1	0	0	113.7	N472 K473 R480 L519	N472-E476 PolarHBondContact O-N 3.08Å; K473-E476 PolarHBondContact O-N 2.94Å; E476-R480 WeakPolarHBondContact O-CB 3.27Å; E476-R480 PolarHBondContact O-N 2.88Å; E476-R480 VanDerWaalsContact O-N 3.17Å; E476-R480 IonicContact OE2-NH2 2.86Å; E476-L519 HydrophobicContact CG-CD1 3.84Å
477	Y	91.8	Very high	90.7	Very high	113 Å²	113	64.4 Å²	64.4	44%	0.443	31%	0.312	S	S	.	.	H	α-helix	trans	-72.9	-37.6	178.6	-85.7	-66.3	0	0	0	112.7	K473 M474 A475 R480 N481 F485	K473-Y477 WeakPolarHBondContact O-CB 3.34Å; K473-Y477 WeakPolarHBondContact O-CD2 3.47Å; K473-Y477 PolarHBondContact O-N 3.12Å; M474-Y477 PolarHBondContact O-N 3.18Å; A475-Y477 VanDerWaalsContact C-N 3.32Å; A475-Y477 PolarHBondContact O-N 3.26Å; Y477-R480 PolarHBondContact O-N 3.35Å; Y477-N481 WeakPolarHBondContact O-CB 3.44Å; Y477-N481 VanDerWaalsContact O-CG 3.26Å; Y477-N481 PolarHBondContact O-N 3.13Å; Y477-F485 HydrophobicContact CG-CE1 4.43Å
478	V	93.4	Very high	90.8	Very high	3 Å²	3	64.1 Å²	64.1	2%	0.018	31%	0.312	C	S	.	.	H	α-helix	trans	-71.1	-41.5	177.2	170.8	0	0	0	0	111.3	M474 A475 R480 N481 G482 L483 F485 E486 Y512	M474-V478 WeakPolarHBondContact O-CB 3.39Å; M474-V478 WeakPolarHBondContact O-CG2 3.37Å; M474-V478 PolarHBondContact O-N 3.31Å; A475-V478 PolarHBondContact O-N 3.48Å; V478-R480 PolarHBondContact O-N 3.25Å; V478-N481 PolarHBondContact O-N 3.14Å; V478-G482 CarbonylContact O-C 3.58Å; V478-G482 VanDerWaalsContact O-CA 3.29Å; V478-G482 WeakPolarHBondContact O-CA 3.47Å; V478-G482 PolarHBondContact O-N 2.89Å; V478-L483 HydrophobicContact CG1-CD2 4.03Å; V478-F485 HydrophobicContact CG2-CD1 3.83Å; V478-E486 HydrophobicContact CG1-CB 4.15Å; V478-E486 HydrophobicContact CG2-CB 3.87Å; V478-E486 HydrophobicContact CG2-CG 4.2Å; V478-Y512 WeakPolarHBondContact CG2-OH 3.22Å
479	V	91.1	Very high	90.8	Very high	42 Å²	42	61.4 Å²	61.4	26%	0.255	30%	0.304	S	S	.	.	H	α-helix	trans	-62.6	-32	173.5	175.9	0	0	0	0	111.5	A475 R516 L519 D520	A475-V479 WeakPolarHBondContact O-CG2 3.49Å; A475-V479 PolarHBondContact O-N 3.18Å; V479-R516 HydrophobicContact CG2-CG 3.76Å; V479-L519 HydrophobicContact CG2-CB 3.97Å; V479-D520 WeakPolarHBondContact CG2-OD1 3.16Å
480	R	90.6	Very high	90.8	Very high	157 Å²	157	63.2 Å²	63.2	59%	0.592	31%	0.306	S	S	*	.	H	α-helix	trans	-84.2	-29.3	-179.5	-166.9	173.6	-58.3	139.7	12.4	114.6	E476 Y477 V478	E476-R480 WeakPolarHBondContact O-CB 3.27Å; E476-R480 PolarHBondContact O-N 2.88Å; E476-R480 VanDerWaalsContact O-N 3.17Å; E476-R480 IonicContact OE2-NH2 2.86Å; Y477-R480 PolarHBondContact O-N 3.35Å; V478-R480 PolarHBondContact O-N 3.25Å
481	N	89.3	Confident	90.7	Very high	85 Å²	85	68.6 Å²	68.6	46%	0.455	32%	0.324	S	S	.	.	H	α-helix	trans	-111.5	-9.5	-173.7	-61.1	-8.5	0	0	0	113.8	Y477 V478 F485	Y477-N481 WeakPolarHBondContact O-CB 3.44Å; Y477-N481 VanDerWaalsContact O-CG 3.26Å; Y477-N481 PolarHBondContact O-N 3.13Å; V478-N481 PolarHBondContact O-N 3.14Å; N481-F485 HydrophobicContact CB-CB 3.75Å; N481-F485 HydrophobicContact CB-CG 4.11Å
482	G	87.5	Confident	90.5	Very high	33 Å²	33	75.7 Å²	75.7	34%	0.34	36%	0.357	S	S	.	.			trans	85.1	169.2	-173.3	0	0	0	0	0	114.4	V478 E484 F485	V478-G482 CarbonylContact O-C 3.58Å; V478-G482 VanDerWaalsContact O-CA 3.29Å; V478-G482 WeakPolarHBondContact O-CA 3.47Å; V478-G482 PolarHBondContact O-N 2.89Å; G482-E484 PolarHBondContact O-N 3.37Å; G482-F485 WeakPolarHBondContact O-CB 3.2Å; G482-F485 PolarHBondContact O-N 3.44Å; G482-F485 VanDerWaalsContact O-N 3.07Å
483	L	88.3	Confident	90.2	Very high	104 Å²	104	77.5 Å²	77.5	55%	0.545	36%	0.363	S	S	.	.	H	α-helix	trans	-62.8	-23.2	-178.2	-59.3	176.5	0	0	0	113.3	V478 F485 E486 E487	V478-L483 HydrophobicContact CG1-CD2 4.03Å; L483-F485 PolarHBondContact O-N 3.39Å; L483-E486 WeakPolarHBondContact CD2-OE2 3.3Å; L483-E486 WeakPolarHBondContact O-CA 3.08Å; L483-E486 WeakPolarHBondContact O-CB 3.48Å; L483-E486 PolarHBondContact O-N 3.44Å; L483-E487 PolarHBondContact O-N 2.96Å; L483-E487 VanDerWaalsContact O-N 3.08Å
484	E	87.1	Confident	89.6	Confident	142 Å²	142	74.5 Å²	74.5	66%	0.664	36%	0.358	S	S	*	.	H	α-helix	trans	-52	-36.1	170.4	-62.9	-59.1	125	0	0	112.5	G482 L488	G482-E484 PolarHBondContact O-N 3.37Å; E484-L488 VanDerWaalsContact O-CB 3.29Å; E484-L488 WeakPolarHBondContact O-CB 3.28Å; E484-L488 PolarHBondContact O-N 2.94Å
485	F	91.5	Very high	89.1	Confident	51 Å²	51	83.2 Å²	83.2	22%	0.224	40%	0.396	C	S	.	.	H	α-helix	trans	-72.9	-33.2	177	-176.6	-98	0	0	0	112.2	M474 Y477 V478 N481 G482 L483 L488 V489	M474-F485 HydrophobicContact CE-CE1 3.89Å; M474-F485 HydrophobicContact CE-CZ 4.38Å; M474-F485 HydrophobicContact SD-CE1 4.41Å; Y477-F485 HydrophobicContact CG-CE1 4.43Å; V478-F485 HydrophobicContact CG2-CD1 3.83Å; N481-F485 HydrophobicContact CB-CB 3.75Å; N481-F485 HydrophobicContact CB-CG 4.11Å; G482-F485 WeakPolarHBondContact O-CB 3.2Å; G482-F485 PolarHBondContact O-N 3.44Å; G482-F485 VanDerWaalsContact O-N 3.07Å; L483-F485 PolarHBondContact O-N 3.39Å; F485-L488 PolarHBondContact O-N 3.06Å; F485-V489 HydrophobicContact CD1-CG2 4.25Å; F485-V489 HydrophobicContact CE1-CG2 3.79Å; F485-V489 HydrophobicContact CE2-CG2 4.3Å; F485-V489 HydrophobicContact CZ-CG2 3.82Å; F485-V489 VanDerWaalsContact O-CG2 3.32Å; F485-V489 WeakPolarHBondContact O-CG2 3.38Å; F485-V489 PolarHBondContact O-N 2.99Å
486	E	91.7	Very high	88.9	Confident	23 Å²	23	84.7 Å²	84.7	11%	0.107	40%	0.404	C	S	.	.	H	α-helix	trans	-61.6	-50.4	173.8	-158.4	177.2	145.9	0	0	110	V478 L483 V489 I490 L502 Y512 R516	V478-E486 HydrophobicContact CG1-CB 4.15Å; V478-E486 HydrophobicContact CG2-CB 3.87Å; V478-E486 HydrophobicContact CG2-CG 4.2Å; L483-E486 WeakPolarHBondContact CD2-OE2 3.3Å; L483-E486 WeakPolarHBondContact O-CA 3.08Å; L483-E486 WeakPolarHBondContact O-CB 3.48Å; L483-E486 PolarHBondContact O-N 3.44Å; E486-V489 PolarHBondContact O-N 3.48Å; E486-I490 HydrophobicContact CG-CD1 4.43Å; E486-I490 VanDerWaalsContact O-CG1 3.32Å; E486-I490 WeakPolarHBondContact O-CG1 3.38Å; E486-I490 PolarHBondContact O-N 3.19Å; E486-L502 HydrophobicContact CG-CD2 3.58Å; E486-Y512 HydrophobicContact CG-CE1 4.44Å; E486-Y512 WeakPolarHBondContact CG-OH 3.31Å; E486-Y512 PolarHBondContact OE2-OH 3.11Å; E486-Y512 VanDerWaalsContact OE2-OH 3.13Å; E486-R516 IonicContact OE1-NH1 3.54Å; E486-R516 PolarHBondContact OE1-NH1 3.28Å; E486-R516 IonicContact OE2-CZ 2.7Å; E486-R516 IonicContact OE2-NH1 2.76Å; E486-R516 PolarHBondContact OE2-NH1 3.06Å
487	E	90	Very high	88.7	Confident	99 Å²	99	86.2 Å²	86.2	46%	0.463	42%	0.42	S	S	.	.	H	α-helix	trans	-69.2	-34.5	179.3	-154.5	-153.7	-157.4	0	0	112.5	L483 I490 R491	L483-E487 PolarHBondContact O-N 2.96Å; L483-E487 VanDerWaalsContact O-N 3.08Å; E487-I490 PolarHBondContact O-N 3.04Å; E487-R491 WeakPolarHBondContact O-CB 3.4Å; E487-R491 WeakPolarHBondContact O-CG 3.1Å; E487-R491 PolarHBondContact O-N 3.31Å; E487-R491 IonicContact OE2-CZ 3.91Å; E487-R491 IonicContact OE2-NE 3.71Å; E487-R491 PolarHBondContact OE2-NE 3.24Å; E487-R491 VanDerWaalsContact OE2-NE 3.1Å; E487-R491 IonicContact OE2-NH2 2.94Å; E487-R491 PolarHBondContact OE2-NH2 3.24Å
488	L	88.9	Confident	88.3	Confident	84 Å²	84	87.3 Å²	87.3	44%	0.44	42%	0.424	S	S	.	.	H	α-helix	trans	-62.7	-42.9	173	179.8	63.1	0	0	0	111.7	E484 F485 R491 Q492	E484-L488 VanDerWaalsContact O-CB 3.29Å; E484-L488 WeakPolarHBondContact O-CB 3.28Å; E484-L488 PolarHBondContact O-N 2.94Å; F485-L488 PolarHBondContact O-N 3.06Å; L488-R491 PolarHBondContact O-N 2.95Å; L488-Q492 WeakPolarHBondContact O-CB 3.41Å; L488-Q492 PolarHBondContact O-N 2.73Å
489	V	89.3	Confident	88.2	Confident	13 Å²	13	89.2 Å²	89.2	8%	0.079	43%	0.432	C	S	.	.	H	α-helix	trans	-65.8	-43.1	174.7	171.6	0	0	0	0	110.3	M474 F485 E486 R491 Q492 K493 F499 L502	M474-V489 HydrophobicContact SD-CG1 4Å; M474-V489 HydrophobicContact SD-CG2 4.21Å; F485-V489 HydrophobicContact CD1-CG2 4.25Å; F485-V489 HydrophobicContact CE1-CG2 3.79Å; F485-V489 HydrophobicContact CE2-CG2 4.3Å; F485-V489 HydrophobicContact CZ-CG2 3.82Å; F485-V489 VanDerWaalsContact O-CG2 3.32Å; F485-V489 WeakPolarHBondContact O-CG2 3.38Å; F485-V489 PolarHBondContact O-N 2.99Å; E486-V489 PolarHBondContact O-N 3.48Å; V489-R491 PolarHBondContact O-N 3.49Å; V489-Q492 PolarHBondContact O-N 3.43Å; V489-K493 HydrophobicContact CG1-CB 4.18Å; V489-K493 HydrophobicContact CG1-CG 4.36Å; V489-K493 WeakPolarHBondContact O-CA 3.33Å; V489-K493 VanDerWaalsContact O-CB 3.23Å; V489-K493 WeakPolarHBondContact O-CB 2.82Å; V489-K493 PolarHBondContact O-N 2.87Å; V489-F499 HydrophobicContact CG1-CB 4.5Å; V489-F499 HydrophobicContact CG1-CD1 3.7Å; V489-F499 HydrophobicContact CG1-CE1 4.2Å; V489-F499 HydrophobicContact CG1-CG 4.2Å; V489-L502 HydrophobicContact CG1-CD1 3.94Å; V489-L502 HydrophobicContact CG1-CD2 4.32Å
490	I	90	Very high	88.1	Confident	64 Å²	64	88 Å²	88	33%	0.328	43%	0.427	S	S	.	.	H	α-helix	trans	-57.9	-48.7	174.4	-69.6	164.2	0	0	0	110.5	E486 E487 S494 L502	E486-I490 HydrophobicContact CG-CD1 4.43Å; E486-I490 VanDerWaalsContact O-CG1 3.32Å; E486-I490 WeakPolarHBondContact O-CG1 3.38Å; E486-I490 PolarHBondContact O-N 3.19Å; E487-I490 PolarHBondContact O-N 3.04Å; I490-S494 WeakPolarHBondContact O-CA 3.38Å; I490-S494 WeakPolarHBondContact O-CB 3.49Å; I490-S494 PolarHBondContact O-N 2.96Å; I490-L502 HydrophobicContact CD1-CB 4.26Å; I490-L502 HydrophobicContact CG1-CB 3.86Å; I490-L502 HydrophobicContact CG1-CD2 4.29Å
491	R	89.3	Confident	88.1	Confident	152 Å²	152	80.8 Å²	80.8	57%	0.574	40%	0.401	S	S	*	.	H	α-helix	trans	-61.5	-51.4	178.8	-74.3	-174.2	-88.1	162.1	-6.2	112	E487 L488 V489 S494	E487-R491 WeakPolarHBondContact O-CB 3.4Å; E487-R491 WeakPolarHBondContact O-CG 3.1Å; E487-R491 PolarHBondContact O-N 3.31Å; E487-R491 IonicContact OE2-CZ 3.91Å; E487-R491 IonicContact OE2-NE 3.71Å; E487-R491 PolarHBondContact OE2-NE 3.24Å; E487-R491 VanDerWaalsContact OE2-NE 3.1Å; E487-R491 IonicContact OE2-NH2 2.94Å; E487-R491 PolarHBondContact OE2-NH2 3.24Å; L488-R491 PolarHBondContact O-N 2.95Å; V489-R491 PolarHBondContact O-N 3.49Å; R491-S494 PolarHBondContact O-OG 3.4Å
492	Q	87.6	Confident	88.2	Confident	149 Å²	149	77 Å²	77	70%	0.696	38%	0.38	S	S	*	.	H	α-helix	trans	-82.3	-27.9	-172.9	-160.6	-173.4	45.2	0	0	114.4	L488 V489	L488-Q492 WeakPolarHBondContact O-CB 3.41Å; L488-Q492 PolarHBondContact O-N 2.73Å; V489-Q492 PolarHBondContact O-N 3.43Å
493	K	86.4	Confident	88.2	Confident	84 Å²	84	80 Å²	80	37%	0.365	38%	0.384	S	S	.	.	H	α-helix	trans	-116.2	10	-174.6	-60.7	-66.4	-171.5	172.7	0	114.4	V489 K495 D496 F499	V489-K493 HydrophobicContact CG1-CB 4.18Å; V489-K493 HydrophobicContact CG1-CG 4.36Å; V489-K493 WeakPolarHBondContact O-CA 3.33Å; V489-K493 VanDerWaalsContact O-CB 3.23Å; V489-K493 WeakPolarHBondContact O-CB 2.82Å; V489-K493 PolarHBondContact O-N 2.87Å; K493-K495 PolarHBondContact O-N 3.47Å; K493-D496 HydrophobicContact CB-CB 4.49Å; K493-D496 PolarHBondContact O-N 2.9Å; K493-F499 HydrophobicContact CB-CB 4.34Å; K493-F499 HydrophobicContact CB-CD2 3.89Å; K493-F499 HydrophobicContact CB-CE2 4.43Å; K493-F499 HydrophobicContact CB-CG 4.12Å; K493-F499 HydrophobicContact CD-CE2 4.37Å; K493-F499 HydrophobicContact CG-CD2 4.22Å; K493-F499 HydrophobicContact CG-CE2 4.27Å
494	S	81.2	Confident	88.1	Confident	66 Å²	66	80.3 Å²	80.3	46%	0.462	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.8	-23.8	173.4	44.6	0	0	0	0	116.9	I490 R491	I490-S494 WeakPolarHBondContact O-CA 3.38Å; I490-S494 WeakPolarHBondContact O-CB 3.49Å; I490-S494 PolarHBondContact O-N 2.96Å; R491-S494 PolarHBondContact O-OG 3.4Å
495	K	82.1	Confident	88.1	Confident	201 Å²	201	79.2 Å²	79.2	87%	0.874	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-8.3	-179.4	-58	-178.1	-178.1	179.5	0	115	K493	K493-K495 PolarHBondContact O-N 3.47Å
496	D	88.3	Confident	87.9	Confident	31 Å²	31	79.6 Å²	79.6	17%	0.166	40%	0.396	C	S	.	.			trans	-95.7	114.3	-176.9	-175.5	-25.8	0	0	0	109.4	K493 R498 F499	K493-D496 HydrophobicContact CB-CB 4.49Å; K493-D496 PolarHBondContact O-N 2.9Å; D496-R498 PolarHBondContact O-N 2.97Å; D496-R498 WeakPolarHBondContact OD1-CB 3.48Å; D496-R498 IonicContact OD1-CZ 2.77Å; D496-R498 PolarHBondContact OD1-N 3.42Å; D496-R498 IonicContact OD1-NE 3.46Å; D496-R498 PolarHBondContact OD1-NE 2.92Å; D496-R498 IonicContact OD1-NH2 2.61Å; D496-R498 IonicContact OD2-CZ 3.1Å; D496-R498 IonicContact OD2-NE 3.45Å; D496-R498 IonicContact OD2-NH2 2.62Å; D496-R498 PolarHBondContact OD2-NH2 3.33Å; D496-F499 HydrophobicContact CB-CD2 3.92Å; D496-F499 PolarHBondContact O-N 2.98Å
497	P	86.7	Confident	87.7	Confident	114 Å²	114	83 Å²	83	74%	0.74	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-62.6	-21.7	-170.6	25.5	-35	0	0	0	113.3	F499 G500	P497-F499 PolarHBondContact O-N 3.4Å; P497-G500 PolarHBondContact O-N 3.2Å; P497-G500 VanDerWaalsContact O-N 3.14Å
498	R	85.3	Confident	87.6	Confident	136 Å²	136	79.2 Å²	79.2	51%	0.513	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-64.9	-21.9	177.2	-64.2	174.7	-65.1	-178.1	1.3	113.1	I470 D496 F501	I470-R498 HydrophobicContact CD1-CB 4.27Å; I470-R498 HydrophobicContact CD1-CG 4.48Å; D496-R498 PolarHBondContact O-N 2.97Å; D496-R498 WeakPolarHBondContact OD1-CB 3.48Å; D496-R498 IonicContact OD1-CZ 2.77Å; D496-R498 PolarHBondContact OD1-N 3.42Å; D496-R498 IonicContact OD1-NE 3.46Å; D496-R498 PolarHBondContact OD1-NE 2.92Å; D496-R498 IonicContact OD1-NH2 2.61Å; D496-R498 IonicContact OD2-CZ 3.1Å; D496-R498 IonicContact OD2-NE 3.45Å; D496-R498 IonicContact OD2-NH2 2.62Å; D496-R498 PolarHBondContact OD2-NH2 3.33Å; R498-F501 WeakPolarHBondContact O-CD1 3.23Å; R498-F501 WeakPolarHBondContact O-CE1 3.48Å
499	F	90.7	Very high	87.7	Confident	44 Å²	44	77.1 Å²	77.1	19%	0.193	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-101.6	11.8	178.3	-62.8	-82.1	0	0	0	112.7	M474 V489 K493 D496 P497 F501 L502	M474-F499 HydrophobicContact CE-CE1 4.2Å; M474-F499 HydrophobicContact SD-CD1 3.87Å; M474-F499 HydrophobicContact SD-CE1 3.72Å; V489-F499 HydrophobicContact CG1-CB 4.5Å; V489-F499 HydrophobicContact CG1-CD1 3.7Å; V489-F499 HydrophobicContact CG1-CE1 4.2Å; V489-F499 HydrophobicContact CG1-CG 4.2Å; K493-F499 HydrophobicContact CB-CB 4.34Å; K493-F499 HydrophobicContact CB-CD2 3.89Å; K493-F499 HydrophobicContact CB-CE2 4.43Å; K493-F499 HydrophobicContact CB-CG 4.12Å; K493-F499 HydrophobicContact CD-CE2 4.37Å; K493-F499 HydrophobicContact CG-CD2 4.22Å; K493-F499 HydrophobicContact CG-CE2 4.27Å; D496-F499 HydrophobicContact CB-CD2 3.92Å; D496-F499 PolarHBondContact O-N 2.98Å; P497-F499 PolarHBondContact O-N 3.4Å; F499-F501 PolarHBondContact O-N 3.02Å; F499-L502 HydrophobicContact CB-CD1 3.77Å; F499-L502 HydrophobicContact CD1-CD1 3.8Å; F499-L502 HydrophobicContact CG-CD1 4.29Å; F499-L502 WeakPolarHBondContact O-CD1 3.41Å; F499-L502 PolarHBondContact O-N 2.69Å
500	G	87.7	Confident	87.7	Confident	15 Å²	15	79.6 Å²	79.6	16%	0.155	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-55.7	-34	179.6	0	0	0	0	0	113.9	P497 L502 K503 H506	P497-G500 PolarHBondContact O-N 3.2Å; P497-G500 VanDerWaalsContact O-N 3.14Å; G500-L502 PolarHBondContact O-N 2.92Å; G500-L502 VanDerWaalsContact O-N 3.12Å; G500-K503 PolarHBondContact O-N 3.33Å; G500-K503 VanDerWaalsContact O-N 3.08Å; G500-H506 VanDerWaalsContact O-CB 3.23Å; G500-H506 WeakPolarHBondContact O-CB 3.03Å
501	F	91.5	Very high	87.7	Confident	7 Å²	7	78.6 Å²	78.6	3%	0.031	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-62.9	-15.3	-179.9	69	-97.4	0	0	0	115.5	I470 I471 M474 R498 F499 K503 H506 L508 H509 Y512	I470-F501 HydrophobicContact CG2-CE1 3.78Å; I470-F501 HydrophobicContact CG2-CZ 4.14Å; I471-F501 HydrophobicContact CB-CE2 4.44Å; I471-F501 HydrophobicContact CB-CZ 4.45Å; I471-F501 HydrophobicContact CD1-CB 4.31Å; I471-F501 HydrophobicContact CD1-CD1 4.15Å; I471-F501 HydrophobicContact CD1-CG 4.1Å; I471-F501 HydrophobicContact CG1-CB 4.41Å; I471-F501 HydrophobicContact CG1-CD1 3.56Å; I471-F501 HydrophobicContact CG1-CD2 3.87Å; I471-F501 HydrophobicContact CG1-CE1 3.65Å; I471-F501 HydrophobicContact CG1-CE2 3.96Å; I471-F501 HydrophobicContact CG1-CG 3.67Å; I471-F501 HydrophobicContact CG1-CZ 3.86Å; I471-F501 HydrophobicContact CG2-CD2 4.47Å; I471-F501 HydrophobicContact CG2-CE2 4.42Å; M474-F501 HydrophobicContact CB-CE2 3.94Å; M474-F501 HydrophobicContact CB-CZ 3.73Å; M474-F501 HydrophobicContact CG-CE2 4.07Å; M474-F501 HydrophobicContact CG-CZ 3.99Å; R498-F501 WeakPolarHBondContact O-CD1 3.23Å; R498-F501 WeakPolarHBondContact O-CE1 3.48Å; F499-F501 PolarHBondContact O-N 3.02Å; F501-K503 PolarHBondContact O-N 3.42Å; F501-H506 WeakPolarHBondContact CA-ND1 3.16Å; F501-L508 HydrophobicContact CB-CB 3.97Å; F501-H509 WeakPolarHBondContact O-CA 3.47Å; F501-H509 WeakPolarHBondContact O-CB 3.18Å; F501-H509 PolarHBondContact O-ND1 2.83Å; F501-Y512 HydrophobicContact CD2-CD1 4.04Å; F501-Y512 HydrophobicContact CD2-CD2 4.07Å; F501-Y512 AromaticContact CD2-CG 3.67Å; F501-Y512 HydrophobicContact CD2-CG 3.67Å; F501-Y512 HydrophobicContact CE2-CD1 4.39Å; F501-Y512 AromaticContact CE2-CD2 3.84Å; F501-Y512 HydrophobicContact CE2-CD2 3.84Å; F501-Y512 HydrophobicContact CE2-CE2 4.28Å; F501-Y512 AromaticContact CE2-CG 3.92Å; F501-Y512 HydrophobicContact CE2-CG 3.92Å
502	L	90.5	Very high	87.9	Confident	6 Å²	6	71.4 Å²	71.4	3%	0.031	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-73.2	-18	174.7	-76.4	115.5	0	0	0	112.7	M474 E486 V489 I490 F499 G500 Y512	M474-L502 HydrophobicContact CG-CD1 4.23Å; M474-L502 HydrophobicContact CG-CD2 4.25Å; M474-L502 HydrophobicContact SD-CD1 4.15Å; E486-L502 HydrophobicContact CG-CD2 3.58Å; V489-L502 HydrophobicContact CG1-CD1 3.94Å; V489-L502 HydrophobicContact CG1-CD2 4.32Å; I490-L502 HydrophobicContact CD1-CB 4.26Å; I490-L502 HydrophobicContact CG1-CB 3.86Å; I490-L502 HydrophobicContact CG1-CD2 4.29Å; F499-L502 HydrophobicContact CB-CD1 3.77Å; F499-L502 HydrophobicContact CD1-CD1 3.8Å; F499-L502 HydrophobicContact CG-CD1 4.29Å; F499-L502 WeakPolarHBondContact O-CD1 3.41Å; F499-L502 PolarHBondContact O-N 2.69Å; G500-L502 PolarHBondContact O-N 2.92Å; G500-L502 VanDerWaalsContact O-N 3.12Å; L502-Y512 HydrophobicContact CD2-CE1 4.41Å; L502-Y512 HydrophobicContact CG-CE1 4.43Å
503	K	87.9	Confident	88.1	Confident	94 Å²	94	66.9 Å²	66.9	41%	0.409	35%	0.353	S	S	.	.	S	Bend	trans	-85	144.2	174	-61.6	179.4	-177.8	178.5	0	111.2	G500 F501 D505 H506 H509	G500-K503 PolarHBondContact O-N 3.33Å; G500-K503 VanDerWaalsContact O-N 3.08Å; F501-K503 PolarHBondContact O-N 3.42Å; K503-D505 WeakPolarHBondContact CB-OD1 3.3Å; K503-D505 WeakPolarHBondContact CD-OD1 3.38Å; K503-D505 PolarHBondContact O-N 2.81Å; K503-H506 PolarHBondContact O-N 3.21Å; K503-H509 WeakPolarHBondContact O-CB 3.42Å; K503-H509 PolarHBondContact O-ND1 2.77Å
504	S	85.8	Confident	88.2	Confident	112 Å²	112	66.6 Å²	66.6	78%	0.783	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-7.1	174.3	59.1	0	0	0	0	114.7
505	D	88.1	Confident	88.7	Confident	118 Å²	118	64.9 Å²	64.9	63%	0.631	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-7.9	175.4	63.4	11.2	0	0	0	113.4	K503	K503-D505 WeakPolarHBondContact CB-OD1 3.3Å; K503-D505 WeakPolarHBondContact CD-OD1 3.38Å; K503-D505 PolarHBondContact O-N 2.81Å
506	H	86.7	Confident	89.1	Confident	60 Å²	60	58 Å²	58	28%	0.278	32%	0.315	S	S	.	.	S	Bend	trans	-102.2	133.5	-168	-169.5	-90.6	0	0	0	112.9	G500 F501 K503 L508 H509	G500-H506 VanDerWaalsContact O-CB 3.23Å; G500-H506 WeakPolarHBondContact O-CB 3.03Å; F501-H506 WeakPolarHBondContact CA-ND1 3.16Å; K503-H506 PolarHBondContact O-N 3.21Å; H506-L508 VanDerWaalsContact C-N 3.28Å; H506-L508 PolarHBondContact ND1-N 2.82Å; H506-L508 PolarHBondContact O-N 3.37Å; H506-L508 VanDerWaalsContact O-N 3.11Å; H506-H509 WeakPolarHBondContact O-CB 3.47Å; H506-H509 PolarHBondContact O-N 2.98Å
507	P	87.6	Confident	89.2	Confident	95 Å²	95	62.4 Å²	62.4	62%	0.617	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-39.4	-176.2	-29.4	35.5	0	0	0	114.8	H509 S510	P507-H509 PolarHBondContact O-N 3.22Å; P507-S510 PolarHBondContact O-OG 2.87Å
508	L	88	Confident	89.2	Confident	19 Å²	19	62.9 Å²	62.9	10%	0.099	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-2.1	180	-53.4	-176.9	0	0	0	114.6	L463 I471 F501 H506 S510 Y511 Y512	L463-L508 HydrophobicContact CD2-CD1 3.62Å; L463-L508 HydrophobicContact CD2-CD2 3.73Å; L463-L508 HydrophobicContact CD2-CG 4.27Å; L463-L508 HydrophobicContact CG-CD2 4.17Å; I471-L508 HydrophobicContact CD1-CB 4.01Å; I471-L508 HydrophobicContact CD1-CD1 4.03Å; F501-L508 HydrophobicContact CB-CB 3.97Å; H506-L508 VanDerWaalsContact C-N 3.28Å; H506-L508 PolarHBondContact ND1-N 2.82Å; H506-L508 PolarHBondContact O-N 3.37Å; H506-L508 VanDerWaalsContact O-N 3.11Å; L508-S510 PolarHBondContact O-N 3.42Å; L508-Y511 PolarHBondContact O-N 2.64Å; L508-Y512 PolarHBondContact O-N 2.91Å
509	H	91.5	Very high	89.1	Confident	39 Å²	39	59.3 Å²	59.3	18%	0.181	32%	0.316	C	S	.	.	H	α-helix	trans	-61.2	-34.7	173.4	-170.6	76.2	0	0	0	111.5	F501 K503 H506 P507 Y512 M513	F501-H509 WeakPolarHBondContact O-CA 3.47Å; F501-H509 WeakPolarHBondContact O-CB 3.18Å; F501-H509 PolarHBondContact O-ND1 2.83Å; K503-H509 WeakPolarHBondContact O-CB 3.42Å; K503-H509 PolarHBondContact O-ND1 2.77Å; H506-H509 WeakPolarHBondContact O-CB 3.47Å; H506-H509 PolarHBondContact O-N 2.98Å; P507-H509 PolarHBondContact O-N 3.22Å; H509-Y512 PolarHBondContact O-N 3.37Å; H509-M513 WeakPolarHBondContact O-CB 3.48Å; H509-M513 WeakPolarHBondContact O-CG 3.33Å; H509-M513 PolarHBondContact O-N 3.28Å
510	S	87.9	Confident	88.7	Confident	65 Å²	65	59.5 Å²	59.5	46%	0.455	32%	0.319	S	S	.	.	H	α-helix	trans	-52.9	-54.1	171.5	57.3	0	0	0	0	112.3	P507 L508 Y512 M513 S514	P507-S510 PolarHBondContact O-OG 2.87Å; L508-S510 PolarHBondContact O-N 3.42Å; S510-Y512 PolarHBondContact O-N 3.39Å; S510-M513 PolarHBondContact O-N 3.48Å; S510-S514 PolarHBondContact O-N 2.84Å; S510-S514 PolarHBondContact O-OG 2.94Å
511	Y	90.5	Very high	87.7	Confident	44 Å²	44	62.4 Å²	62.4	17%	0.173	34%	0.335	C	S	.	.	H	α-helix	trans	-64	-39.1	177.9	179.7	-105.9	0	0	0	112.2	L463 R468 I471 N472 L508 S514 K515	L463-Y511 HydrophobicContact CD1-CD1 4.2Å; L463-Y511 HydrophobicContact CD1-CD2 4.41Å; L463-Y511 HydrophobicContact CD1-CE1 4.41Å; L463-Y511 HydrophobicContact CD1-CG 4.24Å; R468-Y511 HydrophobicContact CG-CE1 4.36Å; R468-Y511 PolarHBondContact NH1-OH 3.1Å; R468-Y511 VanDerWaalsContact NH1-OH 3.14Å; I471-Y511 HydrophobicContact CB-CD1 4.22Å; I471-Y511 HydrophobicContact CB-CE1 4.15Å; I471-Y511 HydrophobicContact CD1-CD1 3.94Å; I471-Y511 HydrophobicContact CD1-CE1 4.48Å; I471-Y511 HydrophobicContact CG2-CD1 3.68Å; I471-Y511 HydrophobicContact CG2-CE1 3.83Å; N472-Y511 PolarHBondContact OD1-OH 2.82Å; L508-Y511 PolarHBondContact O-N 2.64Å; Y511-S514 PolarHBondContact O-N 3.39Å; Y511-K515 WeakPolarHBondContact O-CB 3.34Å; Y511-K515 PolarHBondContact O-N 2.91Å
512	Y	93.3	Very high	86.2	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-62.7	-48	175.2	171.2	-123	0	0	0	112.7	I471 M474 A475 V478 E486 F501 L502 L508 H509 S510 S514 K515 R516	I471-Y512 HydrophobicContact CG2-CD2 4.05Å; I471-Y512 HydrophobicContact CG2-CG 4.39Å; M474-Y512 HydrophobicContact CB-CE2 4.44Å; M474-Y512 HydrophobicContact CG-CE2 4.48Å; A475-Y512 HydrophobicContact CB-CD2 4.33Å; A475-Y512 HydrophobicContact CB-CE2 4.19Å; V478-Y512 WeakPolarHBondContact CG2-OH 3.22Å; E486-Y512 HydrophobicContact CG-CE1 4.44Å; E486-Y512 WeakPolarHBondContact CG-OH 3.31Å; E486-Y512 PolarHBondContact OE2-OH 3.11Å; E486-Y512 VanDerWaalsContact OE2-OH 3.13Å; F501-Y512 HydrophobicContact CD2-CD1 4.04Å; F501-Y512 HydrophobicContact CD2-CD2 4.07Å; F501-Y512 AromaticContact CD2-CG 3.67Å; F501-Y512 HydrophobicContact CD2-CG 3.67Å; F501-Y512 HydrophobicContact CE2-CD1 4.39Å; F501-Y512 AromaticContact CE2-CD2 3.84Å; F501-Y512 HydrophobicContact CE2-CD2 3.84Å; F501-Y512 HydrophobicContact CE2-CE2 4.28Å; F501-Y512 AromaticContact CE2-CG 3.92Å; F501-Y512 HydrophobicContact CE2-CG 3.92Å; L502-Y512 HydrophobicContact CD2-CE1 4.41Å; L502-Y512 HydrophobicContact CG-CE1 4.43Å; L508-Y512 PolarHBondContact O-N 2.91Å; H509-Y512 PolarHBondContact O-N 3.37Å; S510-Y512 PolarHBondContact O-N 3.39Å; Y512-S514 PolarHBondContact O-N 3.28Å; Y512-K515 PolarHBondContact O-N 3.22Å; Y512-R516 PolarHBondContact O-N 3.49Å
513	M	91.5	Very high	84.5	Confident	54 Å²	54	69.6 Å²	69.6	27%	0.266	37%	0.374	S	S	.	.	H	α-helix	trans	-60.3	-44.3	175	-72.7	-65	107.3	0	0	111.9	H509 S510 K515 R516 K517	H509-M513 WeakPolarHBondContact O-CB 3.48Å; H509-M513 WeakPolarHBondContact O-CG 3.33Å; H509-M513 PolarHBondContact O-N 3.28Å; S510-M513 PolarHBondContact O-N 3.48Å; M513-K515 VanDerWaalsContact C-N 3.33Å; M513-K515 PolarHBondContact O-N 3.03Å; M513-R516 PolarHBondContact O-N 2.7Å; M513-K517 PolarHBondContact O-N 2.98Å
514	S	89.5	Confident	82.7	Confident	78 Å²	78	68.6 Å²	68.6	55%	0.545	38%	0.378	S	S	.	.	H	α-helix	trans	-59.4	-43	174.8	-60.2	0	0	0	0	111.9	S510 Y511 Y512 K517 E518	S510-S514 PolarHBondContact O-N 2.84Å; S510-S514 PolarHBondContact O-OG 2.94Å; Y511-S514 PolarHBondContact O-N 3.39Å; Y512-S514 PolarHBondContact O-N 3.28Å; S514-K517 PolarHBondContact O-N 2.67Å; S514-E518 WeakPolarHBondContact O-CB 3.42Å; S514-E518 PolarHBondContact O-N 3.44Å
515	K	90.8	Very high	80.9	Confident	31 Å²	31	69.2 Å²	69.2	14%	0.135	37%	0.372	C	S	.	.	H	α-helix	trans	-71.3	-33.9	-179.8	-164.8	70.9	-136.9	174.1	0	113	A475 Y511 Y512 M513 E518 L519	A475-K515 HydrophobicContact CB-CB 4.06Å; A475-K515 HydrophobicContact CB-CG 3.83Å; Y511-K515 WeakPolarHBondContact O-CB 3.34Å; Y511-K515 PolarHBondContact O-N 2.91Å; Y512-K515 PolarHBondContact O-N 3.22Å; M513-K515 VanDerWaalsContact C-N 3.33Å; M513-K515 PolarHBondContact O-N 3.03Å; K515-E518 WeakPolarHBondContact CE-OE2 3.42Å; K515-E518 IonicContact NZ-OE1 2.7Å; K515-E518 PolarHBondContact NZ-OE1 3.45Å; K515-E518 IonicContact NZ-OE2 2.91Å; K515-E518 PolarHBondContact NZ-OE2 2.92Å; K515-L519 HydrophobicContact CG-CD1 4.21Å; K515-L519 WeakPolarHBondContact O-CD1 3.45Å; K515-L519 VanDerWaalsContact O-CG 3.3Å; K515-L519 WeakPolarHBondContact O-CG 3.12Å; K515-L519 PolarHBondContact O-N 3.43Å
516	R	92.4	Very high	79	Confident	55 Å²	55	66.3 Å²	66.3	21%	0.208	36%	0.359	C	S	.	.	H	α-helix	trans	-62.1	-53.8	172.2	-159.4	178.8	74.8	-158.9	-4.4	109.7	V479 E486 Y512 M513 E518 L519 D520	V479-R516 HydrophobicContact CG2-CG 3.76Å; E486-R516 IonicContact OE1-NH1 3.54Å; E486-R516 PolarHBondContact OE1-NH1 3.28Å; E486-R516 IonicContact OE2-CZ 2.7Å; E486-R516 IonicContact OE2-NH1 2.76Å; E486-R516 PolarHBondContact OE2-NH1 3.06Å; Y512-R516 PolarHBondContact O-N 3.49Å; M513-R516 PolarHBondContact O-N 2.7Å; R516-E518 VanDerWaalsContact C-N 3.28Å; R516-E518 PolarHBondContact O-N 3.3Å; R516-L519 CarbonylContact O-C 3.58Å; R516-L519 WeakPolarHBondContact O-CA 3.49Å; R516-L519 PolarHBondContact O-N 3.47Å; R516-D520 VanDerWaalsContact C-OD2 3.29Å; R516-D520 PolarHBondContact O-N 2.9Å; R516-D520 VanDerWaalsContact O-OD2 3.08Å
517	K	88.5	Confident	77.2	Confident	124 Å²	124	70.1 Å²	70.1	54%	0.539	38%	0.375	S	S	.	.	H	α-helix	trans	-60.5	-30.6	178.3	-173.7	166.3	-175.9	169.6	0	114.1	M513 S514 L519 D520 D523	M513-K517 PolarHBondContact O-N 2.98Å; S514-K517 PolarHBondContact O-N 2.67Å; K517-L519 VanDerWaalsContact C-N 3.31Å; K517-D520 WeakPolarHBondContact CA-OD2 3.3Å; K517-D523 WeakPolarHBondContact CE-OD1 3.19Å; K517-D523 WeakPolarHBondContact CE-OD2 3.28Å; K517-D523 WeakPolarHBondContact CG-OD2 3.35Å; K517-D523 IonicContact NZ-OD1 2.65Å; K517-D523 IonicContact NZ-OD2 3.99Å
518	E	86.9	Confident	75.2	Confident	124 Å²	124	68.4 Å²	68.4	58%	0.579	37%	0.368	S	S	*	.	H	α-helix	trans	-71.5	-24.9	173.7	-162.7	-157.1	129.5	0	0	113.3	S514 K515 R516	S514-E518 WeakPolarHBondContact O-CB 3.42Å; S514-E518 PolarHBondContact O-N 3.44Å; K515-E518 WeakPolarHBondContact CE-OE2 3.42Å; K515-E518 IonicContact NZ-OE1 2.7Å; K515-E518 PolarHBondContact NZ-OE1 3.45Å; K515-E518 IonicContact NZ-OE2 2.91Å; K515-E518 PolarHBondContact NZ-OE2 2.92Å; R516-E518 VanDerWaalsContact C-N 3.28Å; R516-E518 PolarHBondContact O-N 3.3Å
519	L	84.3	Confident	73.3	Confident	61 Å²	61	69.9 Å²	69.9	32%	0.319	38%	0.383	S	S	.	.	H	α-helix	trans	-99.6	-19.6	-177.5	-70.5	171.7	0	0	0	113.4	A475 E476 V479 K515 R516 K517	A475-L519 HydrophobicContact CB-CD1 3.83Å; E476-L519 HydrophobicContact CG-CD1 3.84Å; V479-L519 HydrophobicContact CG2-CB 3.97Å; K515-L519 HydrophobicContact CG-CD1 4.21Å; K515-L519 WeakPolarHBondContact O-CD1 3.45Å; K515-L519 VanDerWaalsContact O-CG 3.3Å; K515-L519 WeakPolarHBondContact O-CG 3.12Å; K515-L519 PolarHBondContact O-N 3.43Å; R516-L519 CarbonylContact O-C 3.58Å; R516-L519 WeakPolarHBondContact O-CA 3.49Å; R516-L519 PolarHBondContact O-N 3.47Å; K517-L519 VanDerWaalsContact C-N 3.31Å
520	D	81	Confident	71.2	Confident	49 Å²	49	72 Å²	72	26%	0.262	40%	0.396	S	S	.	.			trans	-60	122.4	179	-76.3	-48.6	0	0	0	110.9	V479 R516 K517 D522 D523 S524	V479-D520 WeakPolarHBondContact CG2-OD1 3.16Å; R516-D520 VanDerWaalsContact C-OD2 3.29Å; R516-D520 PolarHBondContact O-N 2.9Å; R516-D520 VanDerWaalsContact O-OD2 3.08Å; K517-D520 WeakPolarHBondContact CA-OD2 3.3Å; D520-D522 VanDerWaalsContact C-N 3.32Å; D520-D522 PolarHBondContact O-N 3.42Å; D520-D523 HydrophobicContact CB-CB 4.36Å; D520-D523 PolarHBondContact O-N 2.71Å; D520-S524 PolarHBondContact O-N 2.89Å
521	P	68.2	Low	69.3	Low	76 Å²	76	72.8 Å²	72.8	49%	0.494	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-28.2	-170.6	27.5	-35.2	0	0	0	113	S524 L525	P521-S524 PolarHBondContact O-N 3.1Å; P521-S524 PolarHBondContact O-OG 3.37Å; P521-L525 PolarHBondContact O-N 3.44Å
522	D	60.3	Low	67.1	Low	120 Å²	120	77 Å²	77	64%	0.642	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-37.1	177.2	-59.2	-53.1	0	0	0	111.4	D520 S524 L525 T526	D520-D522 VanDerWaalsContact C-N 3.32Å; D520-D522 PolarHBondContact O-N 3.42Å; D522-S524 PolarHBondContact O-N 2.89Å; D522-L525 WeakPolarHBondContact O-CB 3.36Å; D522-L525 PolarHBondContact O-N 3.31Å; D522-T526 PolarHBondContact O-N 2.91Å
523	D	53	Low	64.7	Low	43 Å²	43	85.5 Å²	85.5	23%	0.23	46%	0.464	C	S	.	.	H	α-helix	trans	-72.5	-17.4	179.5	-145.6	67.1	0	0	0	112.4	K517 D520 T526 K527	K517-D523 WeakPolarHBondContact CE-OD1 3.19Å; K517-D523 WeakPolarHBondContact CE-OD2 3.28Å; K517-D523 WeakPolarHBondContact CG-OD2 3.35Å; K517-D523 IonicContact NZ-OD1 2.65Å; K517-D523 IonicContact NZ-OD2 3.99Å; D520-D523 HydrophobicContact CB-CB 4.36Å; D520-D523 PolarHBondContact O-N 2.71Å; D523-T526 VanDerWaalsContact CA-OG1 3.28Å; D523-T526 WeakPolarHBondContact CA-OG1 3.46Å; D523-T526 PolarHBondContact O-OG1 3.38Å; D523-T526 VanDerWaalsContact O-OG1 3.1Å; D523-K527 WeakPolarHBondContact O-CB 3.39Å; D523-K527 PolarHBondContact O-N 3.23Å; D523-K527 VanDerWaalsContact O-N 3.14Å
524	S	51.7	Low	61.9	Low	73 Å²	73	87.2 Å²	87.2	51%	0.51	48%	0.482	S	S	.	.	H	α-helix	trans	-87.3	-10.7	169.6	55	0	0	0	0	113.9	D520 P521 D522	D520-S524 PolarHBondContact O-N 2.89Å; P521-S524 PolarHBondContact O-N 3.1Å; P521-S524 PolarHBondContact O-OG 3.37Å; D522-S524 PolarHBondContact O-N 2.89Å
525	L	47.2	Very low	59.2	Low	126 Å²	126	89 Å²	89	66%	0.66	49%	0.485	S	S	*	.	H	α-helix	trans	-88.2	-41.8	165.5	-66.5	175.3	0	0	0	111.6	P521 D522 A528 A529	P521-L525 PolarHBondContact O-N 3.44Å; D522-L525 WeakPolarHBondContact O-CB 3.36Å; D522-L525 PolarHBondContact O-N 3.31Å; L525-A528 PolarHBondContact O-N 3.27Å; L525-A529 PolarHBondContact O-N 3.37Å
526	T	49	Very low	56.9	Low	56 Å²	56	95.6 Å²	95.6	34%	0.344	52%	0.52	S	S	.	.	H	α-helix	trans	-61.1	-51.9	173.2	57.3	0	0	0	0	110.7	D522 D523 A528 A529 D530	D522-T526 PolarHBondContact O-N 2.91Å; D523-T526 VanDerWaalsContact CA-OG1 3.28Å; D523-T526 WeakPolarHBondContact CA-OG1 3.46Å; D523-T526 PolarHBondContact O-OG1 3.38Å; D523-T526 VanDerWaalsContact O-OG1 3.1Å; T526-A528 PolarHBondContact O-N 3.21Å; T526-A529 CarbonylContact O-C 3.56Å; T526-A529 WeakPolarHBondContact O-CA 3.11Å; T526-A529 WeakPolarHBondContact O-CB 3.39Å; T526-A529 PolarHBondContact O-N 3.13Å; T526-D530 VanDerWaalsContact C-OD2 3.25Å; T526-D530 WeakPolarHBondContact O-CB 3.41Å; T526-D530 PolarHBondContact O-N 2.97Å
527	K	47.4	Very low	54	Low	141 Å²	141	98.1 Å²	98.1	61%	0.613	55%	0.546	S	S	*	.	H	α-helix	trans	-61.6	-19.1	-177.8	-158.8	169.8	-164	166.9	0	114.6	D523 S531	D523-K527 WeakPolarHBondContact O-CB 3.39Å; D523-K527 PolarHBondContact O-N 3.23Å; D523-K527 VanDerWaalsContact O-N 3.14Å; K527-S531 PolarHBondContact O-OG 3.09Å
528	A	46.1	Very low	51.5	Low	58 Å²	58	97.8 Å²	97.8	48%	0.479	56%	0.557	S	S	.	*	H	α-helix	trans	-86.5	-23.4	170.4	0	0	0	0	0	113.9	L525 T526 S531 N532	L525-A528 PolarHBondContact O-N 3.27Å; T526-A528 PolarHBondContact O-N 3.21Å; A528-S531 PolarHBondContact O-OG 2.9Å; A528-N532 PolarHBondContact O-ND2 2.71Å
529	A	48.7	Very low	49	Very low	50 Å²	50	96.5 Å²	96.5	41%	0.413	56%	0.561	S	S	.	*	H	α-helix	trans	-85.4	-42.7	170.5	0	0	0	0	0	112	L525 T526 S531 N532 F533	L525-A529 PolarHBondContact O-N 3.37Å; T526-A529 CarbonylContact O-C 3.56Å; T526-A529 WeakPolarHBondContact O-CA 3.11Å; T526-A529 WeakPolarHBondContact O-CB 3.39Å; T526-A529 PolarHBondContact O-N 3.13Å; A529-S531 VanDerWaalsContact C-N 3.29Å; A529-S531 PolarHBondContact O-N 2.8Å; A529-N532 CarbonylContact O-C 3.58Å; A529-N532 VanDerWaalsContact O-CA 3.3Å; A529-N532 WeakPolarHBondContact O-CA 3.42Å; A529-N532 WeakPolarHBondContact O-CB 3.42Å; A529-N532 PolarHBondContact O-N 3.42Å; A529-F533 PolarHBondContact O-N 3.07Å; A529-F533 VanDerWaalsContact O-N 3.11Å
530	D	46.4	Very low	46.8	Very low	85 Å²	85	102.5 Å²	102.5	46%	0.455	59%	0.585	S	S	.	*	H	α-helix	trans	-64.3	-33.9	-177.6	-57.9	-24.3	0	0	0	111.7	T526 N532 F533 S534	T526-D530 VanDerWaalsContact C-OD2 3.25Å; T526-D530 WeakPolarHBondContact O-CB 3.41Å; T526-D530 PolarHBondContact O-N 2.97Å; D530-N532 PolarHBondContact O-N 3.26Å; D530-N532 VanDerWaalsContact O-N 3.1Å; D530-F533 PolarHBondContact O-N 3.07Å; D530-S534 VanDerWaalsContact O-CB 3.28Å; D530-S534 WeakPolarHBondContact O-CB 3.36Å; D530-S534 PolarHBondContact O-N 3.36Å; D530-S534 PolarHBondContact O-OG 3.22Å
531	S	49.5	Very low	44.7	Very low	80 Å²	80	105.2 Å²	105.2	56%	0.559	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-5.3	169.1	43.3	0	0	0	0	114.2	K527 A528 A529	K527-S531 PolarHBondContact O-OG 3.09Å; A528-S531 PolarHBondContact O-OG 2.9Å; A529-S531 VanDerWaalsContact C-N 3.29Å; A529-S531 PolarHBondContact O-N 2.8Å
532	N	43.9	Very low	43.2	Very low	134 Å²	134	107.1 Å²	107.1	72%	0.717	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.5	1.8	171.6	-65.2	-83.3	0	0	0	113.2	A528 A529 D530	A528-N532 PolarHBondContact O-ND2 2.71Å; A529-N532 CarbonylContact O-C 3.58Å; A529-N532 VanDerWaalsContact O-CA 3.3Å; A529-N532 WeakPolarHBondContact O-CA 3.42Å; A529-N532 WeakPolarHBondContact O-CB 3.42Å; A529-N532 PolarHBondContact O-N 3.42Å; D530-N532 PolarHBondContact O-N 3.26Å; D530-N532 VanDerWaalsContact O-N 3.1Å
533	F	41.8	Very low	41.8	Very low	178 Å²	178	110.6 Å²	110.6	78%	0.781	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.1	5.9	-176.5	-117.5	-85.2	0	0	0	114.7	A529 D530 N535	A529-F533 PolarHBondContact O-N 3.07Å; A529-F533 VanDerWaalsContact O-N 3.11Å; D530-F533 PolarHBondContact O-N 3.07Å; F533-N535 VanDerWaalsContact C-N 3.31Å; F533-N535 PolarHBondContact O-N 3.08Å
534	S	33.8	Very low	40.8	Very low	90 Å²	90	114.6 Å²	114.6	63%	0.629	66%	0.658	S	S	*	*			trans	-76.3	75	-178	26.8	0	0	0	0	112.7	D530	D530-S534 VanDerWaalsContact O-CB 3.28Å; D530-S534 WeakPolarHBondContact O-CB 3.36Å; D530-S534 PolarHBondContact O-N 3.36Å; D530-S534 PolarHBondContact O-OG 3.22Å
535	N	33.4	Very low	39.8	Very low	115 Å²	115	115.9 Å²	115.9	62%	0.615	67%	0.667	S	S	*	*			trans	-154.8	143.9	157.1	-98	-55.5	0	0	0	110.5	F533	F533-N535 VanDerWaalsContact C-N 3.31Å; F533-N535 PolarHBondContact O-N 3.08Å
536	I	40.6	Very low	38.9	Very low	169 Å²	169	114.6 Å²	114.6	87%	0.867	67%	0.668	S	S	*	*			trans	75.5	107.9	178.4	-51.1	166.1	0	0	0	115.5
537	S	31.5	Very low	38.2	Very low	108 Å²	108	116.5 Å²	116.5	76%	0.755	68%	0.684	S	S	*	*			trans	-124.9	158.4	152.7	-173.9	0	0	0	0	106.3
538	P	36.8	Very low	37.4	Very low	118 Å²	118	118.8 Å²	118.8	77%	0.766	69%	0.694	S	S	*	*				-148.6	174.5	101.1	37.2	-19.6	0	0	0	116.2
539	S	34.2	Very low	36.7	Very low	96 Å²	96	124.3 Å²	124.3	67%	0.671	71%	0.707	S	S	*	*			trans	-77.3	179.4	169	52.6	0	0	0	0	111.7
540	K	38.2	Very low	35.9	Very low	188 Å²	188	127.7 Å²	127.7	82%	0.817	72%	0.717	S	S	*	*			cis	-155	164	27.5	-56.1	169	-177.7	174	0	111.1
541	S	37.6	Very low	35.3	Very low	105 Å²	105	129.6 Å²	129.6	73%	0.734	73%	0.728	S	S	*	*				153.1	131	114.5	59.5	0	0	0	0	116.8
542	S	36.6	Very low	34.7	Very low	117 Å²	117	130.2 Å²	130.2	82%	0.818	73%	0.732	S	S	*	*			trans	60.6	165.4	148.5	69.9	0	0	0	0	121.9
543	K	30.9	Very low	34.6	Very low	193 Å²	193	130.9 Å²	130.9	84%	0.839	73%	0.734	S	S	*	*			cis	-169.3	168.1	-44.2	-162.5	172.5	-176	175.4	0	107.7
544	V	32.5	Very low	34.5	Very low	127 Å²	127	130.3 Å²	130.3	77%	0.77	73%	0.734	S	S	*	*			trans	81.5	96.3	160.6	-168.9	0	0	0	0	120.3
545	S	29	Very low	34.8	Very low	100 Å²	100	133.8 Å²	133.8	70%	0.699	74%	0.737	S	S	*	*				76.7	142.2	123.9	-161.3	0	0	0	0	125.3
546	S	29.8	Very low	35.2	Very low	98 Å²	98	132.7 Å²	132.7	69%	0.685	74%	0.736	S	S	*	*			trans	84	106.7	140.2	32.9	0	0	0	0	124.2
547	S	33.5	Very low	35.1	Very low	96 Å²	96	131.1 Å²	131.1	67%	0.671	73%	0.725	S	S	*	*				87.4	108.6	118.6	-67.4	0	0	0	0	123.4
548	K	31.6	Very low	35.3	Very low	189 Å²	189	131.5 Å²	131.5	82%	0.822	72%	0.723	S	S	*	*				82.1	113	127.3	-61.9	169.8	-173.7	171.4	0	121.7
549	K	30.5	Very low	35.4	Very low	174 Å²	174	133 Å²	133	76%	0.757	72%	0.722	S	S	*	*				78.1	122.8	127	-89.9	-160.6	148.1	-157.8	0	122.5
550	L	32.9	Very low	35.5	Very low	121 Å²	121	135.6 Å²	135.6	63%	0.634	72%	0.722	S	S	*	*			trans	71.2	151.5	137	-57.1	-177.4	0	0	0	118.1
551	D	33.7	Very low	35.4	Very low	126 Å²	126	134.5 Å²	134.5	67%	0.674	72%	0.719	S	S	*	*			cis	-159.4	168.6	-2.6	-125.3	-31.6	0	0	0	113.5
552	S	36.7	Very low	35.3	Very low	92 Å²	92	135.9 Å²	135.9	64%	0.643	72%	0.719	S	S	*	*			trans	65	119.4	150.7	62.3	0	0	0	0	121
553	I	42.2	Very low	35.5	Very low	148 Å²	148	136.2 Å²	136.2	76%	0.759	71%	0.711	S	S	*	*				81.3	141	86.2	-68	159.3	0	0	0	112.8
554	E	38.9	Very low	35.7	Very low	167 Å²	167	136.2 Å²	136.2	78%	0.78	71%	0.711	S	S	*	*			cis	-143.3	156.1	18.1	-137.4	133.1	-137.8	0	0	109.1
555	K	39.4	Very low	35.9	Very low	162 Å²	162	134.1 Å²	134.1	70%	0.704	71%	0.707	S	S	*	*				60.6	158.6	62.6	-118.3	-159.5	167.5	-153	0	114.6	E557	K555-E557 WeakPolarHBondContact CE-OE1 3.36Å; K555-E557 IonicContact NZ-OE1 2.63Å; K555-E557 PolarHBondContact NZ-OE1 3.4Å
556	P	43.3	Very low	36.1	Very low	92 Å²	92	139.3 Å²	139.3	60%	0.597	72%	0.717	S	S	*	*			cis	-145.8	172	-0.9	45.8	-27.2	0	0	0	120.1
557	E	37.5	Very low	36.2	Very low	136 Å²	136	138.8 Å²	138.8	64%	0.636	73%	0.728	S	S	*	*			trans	61.3	161.2	134.6	-76.7	152.5	-141.6	0	0	125.3	K555	K555-E557 WeakPolarHBondContact CE-OE1 3.36Å; K555-E557 IonicContact NZ-OE1 2.63Å; K555-E557 PolarHBondContact NZ-OE1 3.4Å
558	T	35.4	Very low	36.2	Very low	116 Å²	116	138.1 Å²	138.1	71%	0.712	74%	0.736	S	S	*	*			cis	-167.7	166.6	-42.1	31	0	0	0	0	110.4
559	M	39	Very low	36.3	Very low	150 Å²	150	134.2 Å²	134.2	74%	0.739	73%	0.732	S	S	*	*				156.4	130.4	122.5	-82.6	-169.6	75.1	0	0	117.3
560	F	36.5	Very low	36.6	Very low	151 Å²	151	133 Å²	133	66%	0.662	73%	0.733	S	S	*	*			trans	53.3	125.8	145.9	-71.6	-106.9	0	0	0	121.7
561	Q	35.6	Very low	36.8	Very low	164 Å²	164	135.8 Å²	135.8	77%	0.766	74%	0.74	S	S	*	*				82.6	140.8	58.3	-75.5	178.7	22.3	0	0	114.6
562	D	36.1	Very low	36.8	Very low	135 Å²	135	137 Å²	137	72%	0.722	75%	0.747	S	S	*	*			cis	-149.6	-150	-6.2	-162.5	16.3	0	0	0	108.4
563	N	40.7	Very low	37.3	Very low	124 Å²	124	136.9 Å²	136.9	66%	0.663	74%	0.744	S	S	*	*			cis	-162.2	-158.7	7.7	-148.5	-51	0	0	0	112.6
564	K	34.9	Very low	37.1	Very low	192 Å²	192	138.5 Å²	138.5	84%	0.835	75%	0.748	S	S	*	*			trans	-75.5	174.2	-175.8	-85.8	166.5	-176.7	157	0	117.7
565	A	36.8	Very low	37.1	Very low	83 Å²	83	134.6 Å²	134.6	69%	0.686	74%	0.739	S	S	*	*			cis	-167.9	164.9	-5.2	0	0	0	0	0	115.5
566	K	34.3	Very low	37	Very low	209 Å²	209	134.2 Å²	134.2	91%	0.909	74%	0.744	S	S	*	*			trans	47	110.2	146.3	-72.9	-174.6	174	-175.9	0	123.6
567	G	30.6	Very low	36.7	Very low	88 Å²	88	135.8 Å²	135.8	91%	0.907	75%	0.747	S	S	*	*				79.6	145.5	117.4	0	0	0	0	0	122
568	G	33.9	Very low	36.6	Very low	82 Å²	82	133.2 Å²	133.2	85%	0.845	75%	0.745	S	S	*	*			trans	167.6	31.2	173.9	0	0	0	0	0	124.6
569	S	33.4	Very low	36.9	Very low	106 Å²	106	135.7 Å²	135.7	74%	0.741	75%	0.748	S	S	*	*			trans	13.5	125.9	155.5	178.5	0	0	0	0	124.7
570	L	36.3	Very low	36.7	Very low	150 Å²	150	135.9 Å²	135.9	79%	0.785	74%	0.744	S	S	*	*			trans	87.8	139.6	137	-83.9	174.3	0	0	0	126.1
571	K	37.2	Very low	36.8	Very low	179 Å²	179	132.7 Å²	132.7	78%	0.778	73%	0.734	S	S	*	*			trans	93.8	106.8	149.7	-73.2	165.3	-177.1	179.9	0	123.5
572	N	33.3	Very low	36.9	Very low	152 Å²	152	133 Å²	133	81%	0.813	73%	0.733	S	S	*	*				42.2	160.1	112.1	-88.8	25.8	0	0	0	123.6
573	P	48.4	Very low	36.7	Very low	89 Å²	89	134.3 Å²	134.3	58%	0.578	73%	0.732	S	S	*	*			cis	-146.8	-167.9	-42.1	43	-23.4	0	0	0	114.8
574	Q	38	Very low	36.4	Very low	181 Å²	181	133.5 Å²	133.5	85%	0.846	73%	0.728	S	S	*	*			trans	68.5	154.4	155.7	-75.2	176	-44.1	0	0	119.4
575	S	38.1	Very low	36.4	Very low	86 Å²	86	130.8 Å²	130.8	60%	0.601	72%	0.723	S	S	*	*			cis	-173	156	-15.2	53	0	0	0	0	113.4
576	L	37.6	Very low	36.2	Very low	153 Å²	153	134.7 Å²	134.7	80%	0.801	72%	0.724	S	S	*	*			trans	67.5	160.4	162.7	-61.5	159.9	0	0	0	116.4
577	D	36.3	Very low	36.1	Very low	125 Å²	125	132.1 Å²	132.1	67%	0.668	72%	0.716	S	S	*	*			cis	-151.3	129.8	-3.5	-129.7	-19.1	0	0	0	106.5
578	S	36.5	Very low	36.1	Very low	83 Å²	83	133.4 Å²	133.4	58%	0.58	71%	0.706	S	S	*	*				73.8	162.5	78.9	101.5	0	0	0	0	117.7
579	H	41.8	Very low	36	Very low	167 Å²	167	135.8 Å²	135.8	77%	0.773	71%	0.708	S	S	*	*			trans	73.3	148.7	-179.6	-68.3	-47.8	0	0	0	119.6
580	K	34.1	Very low	35.8	Very low	154 Å²	154	137.3 Å²	137.3	67%	0.67	71%	0.708	S	S	*	*			cis	-171.3	163.7	-28.1	-144.7	-171	167.7	-126.9	0	112.4
581	D	38.8	Very low	35.6	Very low	84 Å²	84	134.9 Å²	134.9	45%	0.449	70%	0.704	S	S	.	*			trans	71.7	129.2	143.9	-85	4.2	0	0	0	123.6
582	K	38.4	Very low	35.7	Very low	170 Å²	170	135.5 Å²	135.5	74%	0.739	71%	0.709	S	S	*	*			trans	73.2	155.8	142.8	-60.4	169	-173.6	115.1	0	118.6
583	K	32.4	Very low	35.8	Very low	164 Å²	164	138.6 Å²	138.6	71%	0.713	71%	0.71	S	S	*	*			cis	-160.6	154.2	-16.3	-117.2	-168.5	150.9	-139.5	0	110.6
584	D	32.6	Very low	35.2	Very low	107 Å²	107	141.1 Å²	141.1	57%	0.572	71%	0.714	S	S	*	*			trans	53.1	150	140.5	-54.4	-3.7	0	0	0	125.4
585	D	35.5	Very low	35.2	Very low	135 Å²	135	139.1 Å²	139.1	72%	0.722	71%	0.714	S	S	*	*			trans	86.6	126.2	140.9	-68.8	-20.1	0	0	0	125.4
586	F	33.5	Very low	35.2	Very low	164 Å²	164	138.7 Å²	138.7	72%	0.719	72%	0.723	S	S	*	*			trans	64.8	105.6	143.6	-86	-100.7	0	0	0	123.4
587	E	30.7	Very low	35.3	Very low	155 Å²	155	138.8 Å²	138.8	72%	0.724	72%	0.723	S	S	*	*				37.3	134.3	118	-59.5	-164.1	158.6	0	0	122.5
588	T	30.4	Very low	35.1	Very low	116 Å²	116	137.8 Å²	137.8	71%	0.712	73%	0.725	S	S	*	*			trans	64.6	102	138.4	-54.5	0	0	0	0	119.3
589	C	32.7	Very low	35.2	Very low	131 Å²	131	142.6 Å²	142.6	89%	0.885	74%	0.736	S	S	*	*			trans	-140.4	154.3	133.5	-162.3	0	0	0	0	110
590	N	29.9	Very low	35	Very low	138 Å²	138	146.1 Å²	146.1	74%	0.738	74%	0.743	S	S	*	*			trans	-103.7	153.8	-166.9	-76.9	-65	0	0	0	113.7
591	S	32.2	Very low	35	Very low	99 Å²	99	146.8 Å²	146.8	69%	0.692	75%	0.753	S	S	*	*			trans	48.4	115.1	144.7	168.5	0	0	0	0	119
592	E	37.9	Very low	34.9	Very low	192 Å²	192	147.6 Å²	147.6	90%	0.897	77%	0.771	S	S	*	*				-148.5	167.4	123.9	-123	175.4	158	0	0	115.2
593	R	35.9	Very low	35.1	Very low	217 Å²	217	145.6 Å²	145.6	82%	0.819	76%	0.759	S	S	*	*			trans	-92.2	165.5	-145.9	-68.6	169.3	168.2	-164.6	-8.2	115.5
594	Q	35.6	Very low	35.3	Very low	142 Å²	142	142.8 Å²	142.8	66%	0.664	76%	0.757	S	S	*	*			trans	-40.8	142.9	164.5	-54.9	163.6	-65.4	0	0	113.7	V260	V260-Q594 HydrophobicContact CG1-CG 3.72Å; V260-Q594 HydrophobicContact CG2-CG 4.17Å
595	T	39.4	Very low	35.5	Very low	140 Å²	140	144.7 Å²	144.7	86%	0.859	77%	0.766	S	S	*	*			trans	-133.9	125.4	146.6	47.6	0	0	0	0	110.3
596	G	37.2	Very low	35.6	Very low	76 Å²	76	142.6 Å²	142.6	78%	0.784	76%	0.758	S	S	*	*			trans	-92.5	136.4	174	0	0	0	0	0	110.9
597	I	40.6	Very low	35.7	Very low	155 Å²	155	137 Å²	137	80%	0.795	74%	0.74	S	S	*	*			trans	-79.4	135.6	-173.1	-60.2	172.1	0	0	0	111.2	F599	I597-F599 HydrophobicContact CG2-CD1 3.8Å; I597-F599 HydrophobicContact CG2-CE1 3.62Å
598	S	30.3	Very low	36.1	Very low	104 Å²	104	137.9 Å²	137.9	73%	0.727	74%	0.741	S	S	*	*			trans	-137.9	140.7	175.9	135.7	0	0	0	0	110.1
599	F	39.1	Very low	36.3	Very low	185 Å²	185	137.8 Å²	137.8	81%	0.811	75%	0.745	S	S	*	*			trans	-141.2	147.6	170.5	28	-98.4	0	0	0	112.2	I597	I597-F599 HydrophobicContact CG2-CD1 3.8Å; I597-F599 HydrophobicContact CG2-CE1 3.62Å
600	R	37.6	Very low	36.6	Very low	240 Å²	240	140.6 Å²	140.6	91%	0.906	75%	0.745	S	S	*	*			trans	-116	166.9	-172.2	-73.4	-176.5	173.2	-175.1	-1	112.8
601	L	34.9	Very low	36.7	Very low	169 Å²	169	138.5 Å²	138.5	89%	0.885	74%	0.741	S	S	*	*			trans	-76.1	154.7	-175.5	-67.6	65.5	0	0	0	115.1
602	A	36.4	Very low	36.8	Very low	100 Å²	100	138.7 Å²	138.7	83%	0.826	74%	0.738	S	S	*	*			trans	-162.3	142.4	146	0	0	0	0	0	112.3
603	R	42.2	Very low	36.9	Very low	128 Å²	128	138.2 Å²	138.2	48%	0.483	74%	0.736	S	S	.	*			trans	-159	132.2	179.9	-39.8	-173.5	-62.7	178.4	175.5	116.1	D912 R913	R603-D912 WeakPolarHBondContact CD-OD1 3.38Å; R603-D912 IonicContact CZ-OD1 3.73Å; R603-D912 IonicContact NE-OD1 3.68Å; R603-D912 IonicContact NH2-OD1 3.8Å; R603-D912 PolarHBondContact NH2-OD1 3.32Å; R603-R913 VanDerWaalsContact CB-NH1 3.26Å
604	P	36.1	Very low	36.8	Very low	105 Å²	105	132.7 Å²	132.7	68%	0.682	72%	0.723	S	S	*	*			trans	-120	132.4	170.1	12.3	10.9	0	0	0	116.3	R913	P604-R913 VanDerWaalsContact C-NH1 3.29Å; P604-R913 PolarHBondContact O-NH1 3.2Å
605	I	36.9	Very low	37.3	Very low	147 Å²	147	133 Å²	133	75%	0.754	73%	0.734	S	S	*	*				58.6	149.6	96.7	16.5	176.6	0	0	0	118
606	T	37.4	Very low	37.3	Very low	91 Å²	91	134.3 Å²	134.3	56%	0.558	73%	0.731	S	S	*	*			cis	-151.1	176.4	22.6	73.5	0	0	0	0	116.7	R916	T606-R916 WeakPolarHBondContact O-CD 3.44Å
607	S	36.7	Very low	37.8	Very low	47 Å²	47	135.2 Å²	135.2	33%	0.329	72%	0.721	S	S	.	*			trans	50.1	145.6	146	76.2	0	0	0	0	124.9	R916 R917	S607-R916 WeakPolarHBondContact O-CD 3.4Å; S607-R916 PolarHBondContact O-NH1 2.87Å; S607-R917 PolarHBondContact O-NE 3.02Å; S607-R917 PolarHBondContact OG-NH2 3.41Å
608	K	38	Very low	38.5	Very low	174 Å²	174	131 Å²	131	76%	0.757	71%	0.706	S	S	*	*			cis	-137.3	-146.3	-8.2	-149.8	179.9	-174.9	-177.6	0	109.8	R916	K608-R916 PolarHBondContact O-NH1 3.06Å
609	S	35.3	Very low	40	Very low	113 Å²	113	129.8 Å²	129.8	79%	0.79	70%	0.702	S	S	*	*			trans	-167.8	159.4	173.7	-157.9	0	0	0	0	115.1
610	Q	38.1	Very low	41.7	Very low	190 Å²	190	122.6 Å²	122.6	89%	0.888	68%	0.68	S	S	*	*			trans	-173.8	155	169.7	-98.3	172.1	-3.2	0	0	110.5
611	S	32	Very low	43.5	Very low	94 Å²	94	116 Å²	116	66%	0.657	66%	0.659	S	S	*	*			cis	-167.9	141	-26.8	-155.3	0	0	0	0	112.6
612	T	34.7	Very low	45.3	Very low	104 Å²	104	111.8 Å²	111.8	64%	0.638	64%	0.637	S	S	*	*			trans	23.4	140.1	142.7	60.7	0	0	0	0	121
613	Q	40.3	Very low	47.2	Very low	181 Å²	181	112.5 Å²	112.5	85%	0.846	63%	0.625	S	S	*	*				-171.4	171.9	66	-87.8	-173.7	-24.3	0	0	111.3
614	N	35.1	Very low	49.1	Very low	101 Å²	101	111.6 Å²	111.6	54%	0.54	63%	0.629	S	S	.	*			cis	-173	122.7	-41.8	-114.8	66.6	0	0	0	108.6	E616	N614-E616 PolarHBondContact ND2-OE1 3.28Å
615	T	45.1	Very low	51.1	Low	148 Å²	148	111.8 Å²	111.8	91%	0.908	62%	0.623	S	S	*	*			trans	-147.6	131.7	155.7	44.7	0	0	0	0	108.5
616	E	38.3	Very low	53.1	Low	169 Å²	169	109.4 Å²	109.4	79%	0.79	61%	0.611	S	S	*	*			trans	-113.7	122.6	-162.8	-64.9	169.7	175.3	0	0	111.6	N614	N614-E616 PolarHBondContact ND2-OE1 3.28Å
617	T	49	Very low	55.1	Low	94 Å²	94	111.2 Å²	111.2	58%	0.577	61%	0.613	S	S	*	*			trans	-111.2	140.3	157.5	-54.3	0	0	0	0	106.8	A619 I622	T617-A619 PolarHBondContact O-N 2.8Å; T617-I622 HydrophobicContact CG2-CD1 4.25Å; T617-I622 HydrophobicContact CG2-CG1 3.97Å
618	S	54.5	Low	57.3	Low	67 Å²	67	111.6 Å²	111.6	47%	0.469	62%	0.62	S	S	.	*			trans	-65.1	133.3	-172.8	174.1	0	0	0	0	111.3	G620 E621 I622	S618-G620 PolarHBondContact O-N 3.17Å; S618-G620 PolarHBondContact OG-N 3.36Å; S618-E621 WeakPolarHBondContact O-CB 3.49Å; S618-E621 PolarHBondContact O-N 3.08Å; S618-E621 VanDerWaalsContact O-N 3.12Å; S618-I622 WeakPolarHBondContact O-CG1 3.26Å; S618-I622 PolarHBondContact O-N 3.3Å
619	A	61.4	Low	59.3	Low	78 Å²	78	105.9 Å²	105.9	65%	0.645	61%	0.605	S	S	*	*	H	α-helix	trans	-64.6	-20.2	174.9	0	0	0	0	0	112.9	T617 M623	T617-A619 PolarHBondContact O-N 2.8Å; A619-M623 VanDerWaalsContact O-CG 3.28Å; A619-M623 WeakPolarHBondContact O-CG 3.37Å; A619-M623 PolarHBondContact O-N 2.94Å
620	G	75.7	Confident	61.3	Low	34 Å²	34	103.4 Å²	103.4	35%	0.351	59%	0.591	S	S	.	*	H	α-helix	trans	-72.3	-51.2	168.1	0	0	0	0	0	111.3	S618 I622 M623 D624	S618-G620 PolarHBondContact O-N 3.17Å; S618-G620 PolarHBondContact OG-N 3.36Å; G620-I622 VanDerWaalsContact C-N 3.29Å; G620-I622 PolarHBondContact O-N 3.09Å; G620-M623 CarbonylContact O-C 3.59Å; G620-M623 WeakPolarHBondContact O-CA 3.3Å; G620-M623 WeakPolarHBondContact O-CB 3.41Å; G620-M623 PolarHBondContact O-N 2.92Å; G620-D624 VanDerWaalsContact O-CG 3.28Å; G620-D624 PolarHBondContact O-N 3.35Å
621	E	74.7	Confident	63.4	Low	102 Å²	102	99.5 Å²	99.5	48%	0.477	58%	0.576	S	S	.	*	H	α-helix	trans	-59.5	-36.7	179.7	-173.8	174.5	-145.2	0	0	112.6	S618 D624 I625	S618-E621 WeakPolarHBondContact O-CB 3.49Å; S618-E621 PolarHBondContact O-N 3.08Å; S618-E621 VanDerWaalsContact O-N 3.12Å; E621-D624 PolarHBondContact O-N 3.32Å; E621-I625 HydrophobicContact CG-CD1 4.42Å; E621-I625 WeakPolarHBondContact O-CB 3.35Å; E621-I625 WeakPolarHBondContact O-CD1 3.37Å; E621-I625 WeakPolarHBondContact O-CG1 3.29Å; E621-I625 PolarHBondContact O-N 3.46Å
622	I	73.8	Confident	65.6	Low	80 Å²	80	101.8 Å²	101.8	41%	0.41	58%	0.576	S	S	.	*	H	α-helix	trans	-65	-39.5	171.6	-66.8	165.9	0	0	0	111.5	T617 S618 G620 I626	T617-I622 HydrophobicContact CG2-CD1 4.25Å; T617-I622 HydrophobicContact CG2-CG1 3.97Å; S618-I622 WeakPolarHBondContact O-CG1 3.26Å; S618-I622 PolarHBondContact O-N 3.3Å; G620-I622 VanDerWaalsContact C-N 3.29Å; G620-I622 PolarHBondContact O-N 3.09Å; I622-I626 HydrophobicContact CG2-CD1 3.95Å; I622-I626 WeakPolarHBondContact O-CD1 3.26Å; I622-I626 VanDerWaalsContact O-CG1 3.24Å; I622-I626 WeakPolarHBondContact O-CG1 3.31Å; I622-I626 PolarHBondContact O-N 3.17Å; I622-I626 VanDerWaalsContact O-N 3.09Å
623	M	76.3	Confident	67.7	Low	116 Å²	116	104.9 Å²	104.9	57%	0.571	58%	0.577	S	S	*	*	H	α-helix	trans	-70.2	-39.9	175.9	-73	-71.5	-57.6	0	0	111.8	A619 G620 I625 I626 E627	A619-M623 VanDerWaalsContact O-CG 3.28Å; A619-M623 WeakPolarHBondContact O-CG 3.37Å; A619-M623 PolarHBondContact O-N 2.94Å; G620-M623 CarbonylContact O-C 3.59Å; G620-M623 WeakPolarHBondContact O-CA 3.3Å; G620-M623 WeakPolarHBondContact O-CB 3.41Å; G620-M623 PolarHBondContact O-N 2.92Å; M623-I625 VanDerWaalsContact C-N 3.32Å; M623-I625 PolarHBondContact O-N 2.84Å; M623-I626 PolarHBondContact O-N 3.3Å; M623-I626 VanDerWaalsContact O-N 3.15Å; M623-E627 WeakPolarHBondContact O-CB 3.45Å; M623-E627 PolarHBondContact O-N 3.14Å
624	D	81.5	Confident	69.5	Low	108 Å²	108	99.1 Å²	99.1	58%	0.578	56%	0.557	S	S	*	*	H	α-helix	trans	-61.9	-40.5	176.1	-61.8	-28.7	0	0	0	110.9	G620 E621 E627 A628	G620-D624 VanDerWaalsContact O-CG 3.28Å; G620-D624 PolarHBondContact O-N 3.35Å; E621-D624 PolarHBondContact O-N 3.32Å; D624-E627 PolarHBondContact O-N 3.42Å; D624-A628 VanDerWaalsContact O-CB 3.26Å; D624-A628 WeakPolarHBondContact O-CB 3.48Å; D624-A628 PolarHBondContact O-N 2.82Å
625	I	79.1	Confident	71.6	Confident	109 Å²	109	99.1 Å²	99.1	56%	0.559	55%	0.554	S	S	*	*	H	α-helix	trans	-64	-41.6	173.1	-70.6	164.4	0	0	0	111.4	E621 M623 A629	E621-I625 HydrophobicContact CG-CD1 4.42Å; E621-I625 WeakPolarHBondContact O-CB 3.35Å; E621-I625 WeakPolarHBondContact O-CD1 3.37Å; E621-I625 WeakPolarHBondContact O-CG1 3.29Å; E621-I625 PolarHBondContact O-N 3.46Å; M623-I625 VanDerWaalsContact C-N 3.32Å; M623-I625 PolarHBondContact O-N 2.84Å; I625-A629 WeakPolarHBondContact O-CB 3.45Å; I625-A629 PolarHBondContact O-N 3.2Å
626	I	78.5	Confident	72.9	Confident	98 Å²	98	94.8 Å²	94.8	50%	0.503	53%	0.529	S	S	.	.	H	α-helix	trans	-67.8	-40.4	177.8	-71	165.4	0	0	0	111.2	I622 M623 A629 A630	I622-I626 HydrophobicContact CG2-CD1 3.95Å; I622-I626 WeakPolarHBondContact O-CD1 3.26Å; I622-I626 VanDerWaalsContact O-CG1 3.24Å; I622-I626 WeakPolarHBondContact O-CG1 3.31Å; I622-I626 PolarHBondContact O-N 3.17Å; I622-I626 VanDerWaalsContact O-N 3.09Å; M623-I626 PolarHBondContact O-N 3.3Å; M623-I626 VanDerWaalsContact O-N 3.15Å; I626-A629 PolarHBondContact O-N 3.44Å; I626-A630 VanDerWaalsContact O-CB 3.31Å; I626-A630 WeakPolarHBondContact O-CB 3.22Å; I626-A630 PolarHBondContact O-N 2.98Å
627	E	80.3	Confident	74.7	Confident	128 Å²	128	90.4 Å²	90.4	60%	0.598	51%	0.514	S	S	*	.	H	α-helix	trans	-70.1	-39.3	177.7	-171.5	155.7	-144.6	0	0	111.4	M623 D624 A630 L631	M623-E627 WeakPolarHBondContact O-CB 3.45Å; M623-E627 PolarHBondContact O-N 3.14Å; D624-E627 PolarHBondContact O-N 3.42Å; E627-A630 PolarHBondContact O-N 3.47Å; E627-L631 HydrophobicContact CG-CD1 4.4Å; E627-L631 WeakPolarHBondContact O-CB 3.08Å; E627-L631 VanDerWaalsContact O-CG 3.29Å; E627-L631 WeakPolarHBondContact O-CG 3.33Å; E627-L631 PolarHBondContact O-N 3.28Å
628	A	81.5	Confident	75.8	Confident	56 Å²	56	88.8 Å²	88.8	46%	0.463	51%	0.506	S	S	.	.	H	α-helix	trans	-60.5	-46.5	171.2	0	0	0	0	0	112.3	D624 L631 E632	D624-A628 VanDerWaalsContact O-CB 3.26Å; D624-A628 WeakPolarHBondContact O-CB 3.48Å; D624-A628 PolarHBondContact O-N 2.82Å; A628-L631 PolarHBondContact O-N 2.83Å; A628-E632 PolarHBondContact O-N 3.26Å
629	A	79.6	Confident	76.7	Confident	54 Å²	54	90.2 Å²	90.2	45%	0.446	50%	0.504	S	S	.	.	H	α-helix	trans	-65.4	-37.8	177.3	0	0	0	0	0	112.5	I625 I626 E632 Y633	I625-A629 WeakPolarHBondContact O-CB 3.45Å; I625-A629 PolarHBondContact O-N 3.2Å; I626-A629 PolarHBondContact O-N 3.44Å; A629-E632 PolarHBondContact O-N 2.84Å; A629-Y633 WeakPolarHBondContact O-CB 3.49Å; A629-Y633 PolarHBondContact O-N 3.08Å
630	A	78.9	Confident	77.1	Confident	61 Å²	61	90.1 Å²	90.1	50%	0.504	50%	0.499	S	S	.	.	H	α-helix	trans	-65.8	-39.6	174.5	0	0	0	0	0	112	I626 E627 S634	I626-A630 VanDerWaalsContact O-CB 3.31Å; I626-A630 WeakPolarHBondContact O-CB 3.22Å; I626-A630 PolarHBondContact O-N 2.98Å; E627-A630 PolarHBondContact O-N 3.47Å; A630-S634 WeakPolarHBondContact O-CB 3.4Å; A630-S634 PolarHBondContact O-N 3.48Å
631	L	81.6	Confident	76.7	Confident	108 Å²	108	91 Å²	91	57%	0.565	50%	0.502	S	S	*	.	H	α-helix	trans	-64.4	-48	173.7	-74.4	169.6	0	0	0	111.2	E627 A628 Y633 S634 E635	E627-L631 HydrophobicContact CG-CD1 4.4Å; E627-L631 WeakPolarHBondContact O-CB 3.08Å; E627-L631 VanDerWaalsContact O-CG 3.29Å; E627-L631 WeakPolarHBondContact O-CG 3.33Å; E627-L631 PolarHBondContact O-N 3.28Å; A628-L631 PolarHBondContact O-N 2.83Å; L631-Y633 VanDerWaalsContact C-N 3.33Å; L631-Y633 PolarHBondContact O-N 2.91Å; L631-S634 PolarHBondContact O-N 3.13Å; L631-S634 VanDerWaalsContact O-N 3.15Å; L631-S634 PolarHBondContact O-OG 3.31Å; L631-E635 WeakPolarHBondContact O-CB 3.5Å; L631-E635 PolarHBondContact O-N 2.86Å
632	E	77.9	Confident	76.6	Confident	141 Å²	141	95 Å²	95	66%	0.659	51%	0.513	S	S	*	.	H	α-helix	trans	-61.2	-38.8	177.4	-174.1	170.6	-145.9	0	0	112.3	A628 A629 E635 S636	A628-E632 PolarHBondContact O-N 3.26Å; A629-E632 PolarHBondContact O-N 2.84Å; E632-E635 PolarHBondContact O-N 3.07Å; E632-S636 VanDerWaalsContact O-CB 3.25Å; E632-S636 WeakPolarHBondContact O-CB 3.11Å; E632-S636 PolarHBondContact O-N 3.14Å; E632-S636 PolarHBondContact O-OG 3.47Å
633	Y	79.7	Confident	76.3	Confident	170 Å²	170	99.6 Å²	99.6	67%	0.667	53%	0.526	S	S	*	.	H	α-helix	trans	-65.4	-44.1	173	-163.2	-96	0	0	0	111.9	A629 L631 E635 S636 V637	A629-Y633 WeakPolarHBondContact O-CB 3.49Å; A629-Y633 PolarHBondContact O-N 3.08Å; L631-Y633 VanDerWaalsContact C-N 3.33Å; L631-Y633 PolarHBondContact O-N 2.91Å; Y633-E635 VanDerWaalsContact C-N 3.32Å; Y633-E635 PolarHBondContact O-N 3.16Å; Y633-S636 WeakPolarHBondContact CA-OG 3.47Å; Y633-S636 PolarHBondContact O-N 3.17Å; Y633-S636 PolarHBondContact O-OG 3.4Å; Y633-S636 VanDerWaalsContact O-OG 3.04Å; Y633-V637 HydrophobicContact CD1-CG2 4.15Å; Y633-V637 HydrophobicContact CE1-CG2 3.87Å; Y633-V637 WeakPolarHBondContact O-CB 3.35Å; Y633-V637 VanDerWaalsContact O-CG2 3.32Å; Y633-V637 WeakPolarHBondContact O-CG2 3.45Å; Y633-V637 PolarHBondContact O-N 2.81Å
634	S	77.3	Confident	75.8	Confident	60 Å²	60	96.5 Å²	96.5	42%	0.42	52%	0.518	S	S	.	.	H	α-helix	trans	-64.1	-36.8	177.1	79.6	0	0	0	0	112.6	A630 L631 S638	A630-S634 WeakPolarHBondContact O-CB 3.4Å; A630-S634 PolarHBondContact O-N 3.48Å; L631-S634 PolarHBondContact O-N 3.13Å; L631-S634 VanDerWaalsContact O-N 3.15Å; L631-S634 PolarHBondContact O-OG 3.31Å; S634-S638 VanDerWaalsContact O-CB 3.31Å; S634-S638 WeakPolarHBondContact O-CB 3.31Å; S634-S638 PolarHBondContact O-N 3.05Å; S634-S638 PolarHBondContact O-OG 3.43Å
635	E	78	Confident	75.1	Confident	101 Å²	101	96 Å²	96	47%	0.472	52%	0.515	S	S	.	.	H	α-helix	trans	-80	-34.1	-178.6	-149.6	-152.8	171.6	0	0	111.5	L631 E632 Y633 S638 K639	L631-E635 WeakPolarHBondContact O-CB 3.5Å; L631-E635 PolarHBondContact O-N 2.86Å; E632-E635 PolarHBondContact O-N 3.07Å; Y633-E635 VanDerWaalsContact C-N 3.32Å; Y633-E635 PolarHBondContact O-N 3.16Å; E635-S638 CarbonylContact O-C 3.48Å; E635-S638 PolarHBondContact O-N 2.96Å; E635-K639 HydrophobicContact CG-CD 4.35Å; E635-K639 VanDerWaalsContact O-CB 3.25Å; E635-K639 WeakPolarHBondContact O-CB 3.49Å; E635-K639 WeakPolarHBondContact O-CD 3.43Å; E635-K639 WeakPolarHBondContact O-CG 3.48Å; E635-K639 PolarHBondContact O-N 3.16Å; E635-K639 WeakPolarHBondContact OE1-CE 3.29Å; E635-K639 IonicContact OE1-NZ 2.76Å; E635-K639 PolarHBondContact OE1-NZ 2.96Å; E635-K639 WeakPolarHBondContact OE2-CE 3.38Å; E635-K639 IonicContact OE2-NZ 2.71Å; E635-K639 PolarHBondContact OE2-NZ 3.45Å
636	S	74.2	Confident	74.6	Confident	56 Å²	56	95.6 Å²	95.6	39%	0.392	51%	0.511	S	S	.	.	H	α-helix	trans	-69.7	-40.1	173.5	56.2	0	0	0	0	112.2	E632 Y633 S638 K639 S640	E632-S636 VanDerWaalsContact O-CB 3.25Å; E632-S636 WeakPolarHBondContact O-CB 3.11Å; E632-S636 PolarHBondContact O-N 3.14Å; E632-S636 PolarHBondContact O-OG 3.47Å; Y633-S636 WeakPolarHBondContact CA-OG 3.47Å; Y633-S636 PolarHBondContact O-N 3.17Å; Y633-S636 PolarHBondContact O-OG 3.4Å; Y633-S636 VanDerWaalsContact O-OG 3.04Å; S636-S638 VanDerWaalsContact C-N 3.34Å; S636-K639 PolarHBondContact O-N 3.04Å; S636-S640 WeakPolarHBondContact O-CB 3.46Å; S636-S640 PolarHBondContact O-N 3.26Å
637	V	74.6	Confident	74	Confident	78 Å²	78	97.8 Å²	97.8	47%	0.473	52%	0.52	S	S	.	.	H	α-helix	trans	-60.3	-44.3	168.2	171.2	0	0	0	0	110.6	Y633 S640 A641	Y633-V637 HydrophobicContact CD1-CG2 4.15Å; Y633-V637 HydrophobicContact CE1-CG2 3.87Å; Y633-V637 WeakPolarHBondContact O-CB 3.35Å; Y633-V637 VanDerWaalsContact O-CG2 3.32Å; Y633-V637 WeakPolarHBondContact O-CG2 3.45Å; Y633-V637 PolarHBondContact O-N 2.81Å; V637-S640 PolarHBondContact O-N 3.25Å; V637-A641 WeakPolarHBondContact O-CB 3.2Å; V637-A641 PolarHBondContact O-N 2.77Å
638	S	73.8	Confident	73	Confident	59 Å²	59	97.1 Å²	97.1	41%	0.413	52%	0.519	S	S	.	.	H	α-helix	trans	-65.2	-38.6	176.9	-62.2	0	0	0	0	113.1	S634 E635 S636 R642	S634-S638 VanDerWaalsContact O-CB 3.31Å; S634-S638 WeakPolarHBondContact O-CB 3.31Å; S634-S638 PolarHBondContact O-N 3.05Å; S634-S638 PolarHBondContact O-OG 3.43Å; E635-S638 CarbonylContact O-C 3.48Å; E635-S638 PolarHBondContact O-N 2.96Å; S636-S638 VanDerWaalsContact C-N 3.34Å; S638-R642 WeakPolarHBondContact O-CB 3.41Å; S638-R642 VanDerWaalsContact O-CG 3.27Å; S638-R642 WeakPolarHBondContact O-CG 3.44Å; S638-R642 PolarHBondContact O-N 3.5Å
639	K	72.4	Confident	72	Confident	97 Å²	97	99.1 Å²	99.1	42%	0.422	52%	0.522	S	S	.	.	H	α-helix	trans	-68.8	-35.4	174.5	-77.5	163.2	174.1	166.2	0	111.4	E635 S636 R643	E635-K639 HydrophobicContact CG-CD 4.35Å; E635-K639 VanDerWaalsContact O-CB 3.25Å; E635-K639 WeakPolarHBondContact O-CB 3.49Å; E635-K639 WeakPolarHBondContact O-CD 3.43Å; E635-K639 WeakPolarHBondContact O-CG 3.48Å; E635-K639 PolarHBondContact O-N 3.16Å; E635-K639 WeakPolarHBondContact OE1-CE 3.29Å; E635-K639 IonicContact OE1-NZ 2.76Å; E635-K639 PolarHBondContact OE1-NZ 2.96Å; E635-K639 WeakPolarHBondContact OE2-CE 3.38Å; E635-K639 IonicContact OE2-NZ 2.71Å; E635-K639 PolarHBondContact OE2-NZ 3.45Å; S636-K639 PolarHBondContact O-N 3.04Å; K639-R643 WeakPolarHBondContact O-CB 3.27Å; K639-R643 VanDerWaalsContact O-CG 3.28Å; K639-R643 WeakPolarHBondContact O-CG 3.08Å; K639-R643 PolarHBondContact O-N 3.43Å
640	S	68.9	Low	71.1	Confident	77 Å²	77	102 Å²	102	54%	0.538	53%	0.525	S	S	.	.	H	α-helix	trans	-66.8	-50.4	173.3	-169.3	0	0	0	0	111.3	S636 V637 R642 R643 A644	S636-S640 WeakPolarHBondContact O-CB 3.46Å; S636-S640 PolarHBondContact O-N 3.26Å; V637-S640 PolarHBondContact O-N 3.25Å; S640-R642 VanDerWaalsContact C-N 3.29Å; S640-R642 PolarHBondContact O-N 2.91Å; S640-R643 PolarHBondContact O-N 3.45Å; S640-R643 VanDerWaalsContact O-N 3.07Å; S640-A644 PolarHBondContact O-N 3.45Å
641	A	68.3	Low	69.9	Low	51 Å²	51	102.7 Å²	102.7	42%	0.421	53%	0.526	S	S	.	.	H	α-helix	trans	-60.5	-36.7	175.7	0	0	0	0	0	112.6	V637 N645	V637-A641 WeakPolarHBondContact O-CB 3.2Å; V637-A641 PolarHBondContact O-N 2.77Å; A641-N645 WeakPolarHBondContact O-CB 3.46Å; A641-N645 PolarHBondContact O-N 2.91Å; A641-N645 VanDerWaalsContact O-N 3.09Å; A641-N645 PolarHBondContact O-ND2 3.5Å
642	R	71.4	Confident	68.4	Low	187 Å²	187	102.5 Å²	102.5	71%	0.706	53%	0.525	S	S	*	.	H	α-helix	trans	-66.3	-45.1	170.9	-76.6	176.5	-175.7	179.5	4	112	S638 S640 A644 N645 E646	S638-R642 WeakPolarHBondContact O-CB 3.41Å; S638-R642 VanDerWaalsContact O-CG 3.27Å; S638-R642 WeakPolarHBondContact O-CG 3.44Å; S638-R642 PolarHBondContact O-N 3.5Å; S640-R642 VanDerWaalsContact C-N 3.29Å; S640-R642 PolarHBondContact O-N 2.91Å; R642-A644 PolarHBondContact O-N 2.61Å; R642-N645 PolarHBondContact O-N 3.32Å; R642-E646 VanDerWaalsContact O-CB 3.25Å; R642-E646 WeakPolarHBondContact O-CB 3.35Å; R642-E646 PolarHBondContact O-N 2.82Å
643	R	68.7	Low	67.1	Low	177 Å²	177	98.8 Å²	98.8	67%	0.668	51%	0.514	S	S	*	.	H	α-helix	trans	-62.4	-39.1	176.2	-79	173.4	175.7	176.8	-1.3	112.6	K639 S640 E646 Q647	K639-R643 WeakPolarHBondContact O-CB 3.27Å; K639-R643 VanDerWaalsContact O-CG 3.28Å; K639-R643 WeakPolarHBondContact O-CG 3.08Å; K639-R643 PolarHBondContact O-N 3.43Å; S640-R643 PolarHBondContact O-N 3.45Å; S640-R643 VanDerWaalsContact O-N 3.07Å; R643-E646 PolarHBondContact O-N 2.89Å; R643-Q647 WeakPolarHBondContact O-CB 3.29Å; R643-Q647 WeakPolarHBondContact O-CG 3.41Å; R643-Q647 PolarHBondContact O-N 3.35Å
644	A	65.8	Low	65.6	Low	51 Å²	51	101.2 Å²	101.2	42%	0.421	52%	0.522	S	S	.	.	H	α-helix	trans	-63.5	-48.5	174.9	0	0	0	0	0	111.4	S640 R642 E646 Q647 L648	S640-A644 PolarHBondContact O-N 3.45Å; R642-A644 PolarHBondContact O-N 2.61Å; A644-E646 VanDerWaalsContact C-N 3.33Å; A644-E646 PolarHBondContact O-N 3.18Å; A644-Q647 PolarHBondContact O-N 3.49Å; A644-L648 PolarHBondContact O-N 2.86Å
645	N	66.3	Low	63.9	Low	96 Å²	96	102.5 Å²	102.5	51%	0.513	53%	0.531	S	S	.	.	H	α-helix	trans	-65.3	-33.4	174.3	-79.8	-75.9	0	0	0	112.8	A641 R642 N649	A641-N645 WeakPolarHBondContact O-CB 3.46Å; A641-N645 PolarHBondContact O-N 2.91Å; A641-N645 VanDerWaalsContact O-N 3.09Å; A641-N645 PolarHBondContact O-ND2 3.5Å; R642-N645 PolarHBondContact O-N 3.32Å; N645-N649 VanDerWaalsContact O-CB 3.26Å; N645-N649 WeakPolarHBondContact O-CB 3.33Å; N645-N649 VanDerWaalsContact O-CG 3.28Å; N645-N649 PolarHBondContact O-N 2.84Å; N645-N649 PolarHBondContact O-ND2 2.78Å
646	E	68.1	Low	62.2	Low	101 Å²	101	106.2 Å²	106.2	47%	0.472	55%	0.546	S	S	.	.	H	α-helix	trans	-74.4	-31.8	176.9	-160	-167.8	143.5	0	0	111.8	R642 R643 A644 K650	R642-E646 VanDerWaalsContact O-CB 3.25Å; R642-E646 WeakPolarHBondContact O-CB 3.35Å; R642-E646 PolarHBondContact O-N 2.82Å; R643-E646 PolarHBondContact O-N 2.89Å; A644-E646 VanDerWaalsContact C-N 3.33Å; A644-E646 PolarHBondContact O-N 3.18Å; E646-K650 HydrophobicContact CG-CD 4.41Å; E646-K650 VanDerWaalsContact O-CB 3.22Å; E646-K650 WeakPolarHBondContact O-CB 3.35Å; E646-K650 VanDerWaalsContact O-CG 3.31Å; E646-K650 WeakPolarHBondContact O-CG 3.28Å; E646-K650 PolarHBondContact O-N 3.14Å; E646-K650 WeakPolarHBondContact OE1-CE 3.25Å; E646-K650 IonicContact OE1-NZ 2.65Å; E646-K650 PolarHBondContact OE1-NZ 2.91Å
647	Q	66.5	Low	60.4	Low	145 Å²	145	108 Å²	108	68%	0.678	56%	0.558	S	S	*	*	H	α-helix	trans	-70.8	-44.2	170.9	-76	-168.8	23.5	0	0	111.7	R643 A644 N649 K650 S651	R643-Q647 WeakPolarHBondContact O-CB 3.29Å; R643-Q647 WeakPolarHBondContact O-CG 3.41Å; R643-Q647 PolarHBondContact O-N 3.35Å; A644-Q647 PolarHBondContact O-N 3.49Å; Q647-N649 VanDerWaalsContact C-N 3.34Å; Q647-N649 PolarHBondContact O-N 3.31Å; Q647-K650 CarbonylContact O-C 3.51Å; Q647-K650 PolarHBondContact O-N 2.86Å; Q647-S651 PolarHBondContact O-N 3.17Å; Q647-S651 PolarHBondContact O-OG 3.29Å
648	L	59.1	Low	58.7	Low	113 Å²	113	112.1 Å²	112.1	59%	0.592	58%	0.578	S	S	*	*	H	α-helix	trans	-58.9	-43.8	171.2	-83.1	165.3	0	0	0	111.7	A644 K650 S651 L652	A644-L648 PolarHBondContact O-N 2.86Å; L648-K650 VanDerWaalsContact C-N 3.28Å; L648-K650 PolarHBondContact O-N 2.96Å; L648-S651 PolarHBondContact O-N 3.26Å; L648-S651 PolarHBondContact O-OG 2.87Å; L648-L652 WeakPolarHBondContact O-CB 3.48Å; L648-L652 PolarHBondContact O-N 3.42Å
649	N	60.8	Low	57	Low	98 Å²	98	115 Å²	115	52%	0.524	60%	0.598	S	S	.	*	H	α-helix	trans	-70.5	-21.7	174.7	-74.5	-51.2	0	0	0	113.1	N645 Q647 S653	N645-N649 VanDerWaalsContact O-CB 3.26Å; N645-N649 WeakPolarHBondContact O-CB 3.33Å; N645-N649 VanDerWaalsContact O-CG 3.28Å; N645-N649 PolarHBondContact O-N 2.84Å; N645-N649 PolarHBondContact O-ND2 2.78Å; Q647-N649 VanDerWaalsContact C-N 3.34Å; Q647-N649 PolarHBondContact O-N 3.31Å; N649-S653 VanDerWaalsContact O-CB 3.23Å; N649-S653 WeakPolarHBondContact O-CB 3.37Å; N649-S653 PolarHBondContact O-N 2.83Å; N649-S653 PolarHBondContact O-OG 2.85Å
650	K	60.7	Low	55.4	Low	116 Å²	116	119.6 Å²	119.6	50%	0.504	62%	0.621	S	S	.	*	H	α-helix	trans	-83.6	-30.3	173.4	-85.6	170	170.6	165.7	0	113.7	E646 Q647 L648 R654	E646-K650 HydrophobicContact CG-CD 4.41Å; E646-K650 VanDerWaalsContact O-CB 3.22Å; E646-K650 WeakPolarHBondContact O-CB 3.35Å; E646-K650 VanDerWaalsContact O-CG 3.31Å; E646-K650 WeakPolarHBondContact O-CG 3.28Å; E646-K650 PolarHBondContact O-N 3.14Å; E646-K650 WeakPolarHBondContact OE1-CE 3.25Å; E646-K650 IonicContact OE1-NZ 2.65Å; E646-K650 PolarHBondContact OE1-NZ 2.91Å; Q647-K650 CarbonylContact O-C 3.51Å; Q647-K650 PolarHBondContact O-N 2.86Å; L648-K650 VanDerWaalsContact C-N 3.28Å; L648-K650 PolarHBondContact O-N 2.96Å; K650-R654 VanDerWaalsContact O-CB 3.29Å; K650-R654 WeakPolarHBondContact O-CB 3.12Å; K650-R654 VanDerWaalsContact O-CG 3.27Å; K650-R654 WeakPolarHBondContact O-CG 3.36Å; K650-R654 PolarHBondContact O-N 2.86Å
651	S	54.1	Low	54.1	Low	75 Å²	75	121.2 Å²	121.2	52%	0.524	63%	0.632	S	S	.	*	H	α-helix	trans	-70.8	-43.6	166.3	53.2	0	0	0	0	110.6	Q647 L648 S653 R654	Q647-S651 PolarHBondContact O-N 3.17Å; Q647-S651 PolarHBondContact O-OG 3.29Å; L648-S651 PolarHBondContact O-N 3.26Å; L648-S651 PolarHBondContact O-OG 2.87Å; S651-S653 VanDerWaalsContact C-N 3.34Å; S651-S653 PolarHBondContact O-N 2.91Å; S651-R654 PolarHBondContact O-N 3.41Å
652	L	50.1	Low	52.8	Low	104 Å²	104	128.6 Å²	128.6	55%	0.545	66%	0.655	S	S	.	*	H	α-helix	trans	-72.7	-18.2	-179.2	-157.4	68.9	0	0	0	114.7	L648 S655	L648-L652 WeakPolarHBondContact O-CB 3.48Å; L648-L652 PolarHBondContact O-N 3.42Å; L652-S655 PolarHBondContact O-OG 3.33Å
653	S	50.3	Low	51.3	Low	63 Å²	63	125.5 Å²	125.5	44%	0.441	66%	0.662	S	S	.	*	H	α-helix	trans	-95.3	-23	171.7	56.3	0	0	0	0	114	N649 S651 S655 K656 S657	N649-S653 VanDerWaalsContact O-CB 3.23Å; N649-S653 WeakPolarHBondContact O-CB 3.37Å; N649-S653 PolarHBondContact O-N 2.83Å; N649-S653 PolarHBondContact O-OG 2.85Å; S651-S653 VanDerWaalsContact C-N 3.34Å; S651-S653 PolarHBondContact O-N 2.91Å; S653-S655 PolarHBondContact O-N 3.3Å; S653-K656 PolarHBondContact O-N 3.4Å; S653-S657 PolarHBondContact O-OG 3.11Å
654	R	47.7	Very low	50.1	Low	221 Å²	221	128.5 Å²	128.5	83%	0.834	67%	0.673	S	S	*	*	H	α-helix	trans	-67.8	-17.3	171.9	-88.5	179.4	148	-166.5	-9.3	113.8	K650 S651	K650-R654 VanDerWaalsContact O-CB 3.29Å; K650-R654 WeakPolarHBondContact O-CB 3.12Å; K650-R654 VanDerWaalsContact O-CG 3.27Å; K650-R654 WeakPolarHBondContact O-CG 3.36Å; K650-R654 PolarHBondContact O-N 2.86Å; S651-R654 PolarHBondContact O-N 3.41Å
655	S	43.4	Very low	48.8	Very low	87 Å²	87	135.5 Å²	135.5	61%	0.608	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	-0.4	174.2	53.6	0	0	0	0	114.6	L652 S653	L652-S655 PolarHBondContact O-OG 3.33Å; S653-S655 PolarHBondContact O-N 3.3Å
656	K	42.3	Very low	47.6	Very low	178 Å²	178	142.5 Å²	142.5	77%	0.774	71%	0.713	S	S	*	*	S	Bend	trans	-136.5	56.3	-177.2	-78	177.4	176.5	162.8	0	113	S653	S653-K656 PolarHBondContact O-N 3.4Å
657	S	35.9	Very low	46.1	Very low	94 Å²	94	146.9 Å²	146.9	66%	0.657	73%	0.731	S	S	*	*			trans	-143.5	31.9	178.1	37.2	0	0	0	0	116.4	S653	S653-S657 PolarHBondContact O-OG 3.11Å
658	D	38.2	Very low	44.8	Very low	164 Å²	164	145.6 Å²	145.6	88%	0.877	73%	0.733	S	S	*	*	S	Bend	trans	-139.6	89.5	165.9	-111.7	-36.4	0	0	0	111.9
659	S	38	Very low	43.8	Very low	121 Å²	121	151.6 Å²	151.6	85%	0.846	75%	0.748	S	S	*	*			trans	159.7	46.2	158.8	50.3	0	0	0	0	115.7
660	Q	40.1	Very low	42.6	Very low	192 Å²	192	152.2 Å²	152.2	90%	0.897	76%	0.76	S	S	*	*			trans	-133.1	100.3	163.2	-78.4	-157.6	14.9	0	0	113.4
661	S	41	Very low	41.8	Very low	111 Å²	111	151.6 Å²	151.6	78%	0.776	77%	0.768	S	S	*	*			trans	177.1	108.5	141.2	-90.7	0	0	0	0	114.4
662	K	40.1	Very low	41.1	Very low	207 Å²	207	157.3 Å²	157.3	90%	0.9	78%	0.783	S	S	*	*				156	84.9	127	-83.6	154.5	-172.6	167.3	0	112.8
663	S	41.3	Very low	40.3	Very low	121 Å²	121	159.6 Å²	159.6	85%	0.846	79%	0.793	S	S	*	*			trans	-92	109	164.1	-176	0	0	0	0	110.7
664	R	42.3	Very low	39.6	Very low	240 Å²	240	162.7 Å²	162.7	91%	0.906	81%	0.813	S	S	*	*			trans	-168.6	84.5	156.1	-111	163.9	-176	-175.5	0.5	116.7
665	K	39.8	Very low	39.2	Very low	198 Å²	198	157.8 Å²	157.8	86%	0.861	81%	0.807	S	S	*	*				56	86.6	120.2	-165.1	177.9	-172.6	172.2	0	119.9
666	R	39.3	Very low	38.9	Very low	244 Å²	244	161 Å²	161	92%	0.921	82%	0.816	S	S	*	*			trans	-174.4	110.9	141.7	-101.2	155.8	-179.8	-173.1	-0.7	108.2
667	K	38.3	Very low	38.9	Very low	192 Å²	192	158.8 Å²	158.8	84%	0.835	82%	0.82	S	S	*	*				87.4	124.2	66.2	-160.7	-169.2	-179.2	-179.3	0	113.2
668	T	38.9	Very low	38.9	Very low	118 Å²	118	157.4 Å²	157.4	72%	0.724	82%	0.82	S	S	*	*			trans	98.4	136.6	165.5	76.2	0	0	0	0	119.7
669	R	38.4	Very low	38.8	Very low	240 Å²	240	156.8 Å²	156.8	91%	0.906	82%	0.816	S	S	*	*			trans	75.4	93.5	155.7	-65.7	170.4	82.6	164.9	5.2	121.1
670	S	35	Very low	39	Very low	111 Å²	111	156.7 Å²	156.7	78%	0.776	81%	0.812	S	S	*	*			trans	-53	177.9	137.7	-30.9	0	0	0	0	112
671	P	43.6	Very low	38.9	Very low	103 Å²	103	152.1 Å²	152.1	67%	0.669	80%	0.801	S	S	*	*			cis	-150.2	-167.1	23.3	43	-20.7	0	0	0	118.1
672	K	39.5	Very low	38.8	Very low	194 Å²	194	153.2 Å²	153.2	84%	0.843	81%	0.806	S	S	*	*			trans	79.9	154.4	158.1	-68.7	167.7	-176.7	-178.2	0	118.4
673	M	33.6	Very low	38.7	Very low	153 Å²	153	148.4 Å²	148.4	75%	0.754	80%	0.798	S	S	*	*			cis	176.7	123.3	-37.5	-110.9	-63.4	-73.3	0	0	107.9	V675	M673-V675 HydrophobicContact CE-CG2 4.2Å
674	C	35.9	Very low	38.4	Very low	127 Å²	127	147.6 Å²	147.6	86%	0.858	79%	0.792	S	S	*	*			trans	167.3	153.1	158.5	-100.5	0	0	0	0	110
675	V	38.6	Very low	38.2	Very low	119 Å²	119	141.5 Å²	141.5	72%	0.721	79%	0.786	S	S	*	*				-160.6	149.8	-55.6	128.6	0	0	0	0	107.9	M673	M673-V675 HydrophobicContact CE-CG2 4.2Å
676	I	37.7	Very low	38.1	Very low	155 Å²	155	136.8 Å²	136.8	80%	0.795	78%	0.778	S	S	*	*			trans	-89.4	138.4	-172.8	-69.8	158.1	0	0	0	109.7
677	P	40.5	Very low	38	Very low	130 Å²	130	129.8 Å²	129.8	84%	0.844	77%	0.767	S	S	*	*				-148.9	161.9	85.8	37.8	-18	0	0	0	117.2
678	G	37.2	Very low	38.1	Very low	65 Å²	65	125.5 Å²	125.5	67%	0.67	76%	0.761	S	S	*	*			cis	179.7	170.4	-2.8	0	0	0	0	0	113.9
679	I	36.1	Very low	37.8	Very low	152 Å²	152	128.2 Å²	128.2	78%	0.779	77%	0.766	S	S	*	*			trans	-134.4	136.3	178.6	-41.4	172.7	0	0	0	107.7
680	P	41.7	Very low	37.9	Very low	118 Å²	118	121.9 Å²	121.9	77%	0.766	76%	0.758	S	S	*	*				-137.4	135.1	114.9	35.4	-22.9	0	0	0	111.2
681	S	37.8	Very low	38.2	Very low	97 Å²	97	122.3 Å²	122.3	68%	0.678	76%	0.761	S	S	*	*				65.2	113.7	64.3	-54.7	0	0	0	0	112.8
682	P	39.5	Very low	38.1	Very low	134 Å²	134	123.2 Å²	123.2	87%	0.87	77%	0.767	S	S	*	*			trans	-89	153.6	-168.5	35.3	-36.8	0	0	0	114.1
683	S	37.4	Very low	38.2	Very low	106 Å²	106	120 Å²	120	74%	0.741	77%	0.766	S	S	*	*			trans	-153.8	113.3	167.1	61.4	0	0	0	0	114.1
684	S	34.9	Very low	38.3	Very low	103 Å²	103	121.5 Å²	121.5	72%	0.72	77%	0.771	S	S	*	*			trans	54.2	137	142.1	60.9	0	0	0	0	122.4
685	S	37.7	Very low	38.5	Very low	112 Å²	112	121.3 Å²	121.3	78%	0.783	77%	0.765	S	S	*	*			trans	71.2	149.1	152.3	73.2	0	0	0	0	118.2
686	S	37.6	Very low	38.4	Very low	99 Å²	99	124.1 Å²	124.1	69%	0.692	77%	0.771	S	S	*	*			cis	-172.5	152.5	-24.5	49.7	0	0	0	0	110.3
687	S	37.2	Very low	38.2	Very low	98 Å²	98	122 Å²	122	69%	0.685	77%	0.77	S	S	*	*			trans	59.1	143.4	152	57.5	0	0	0	0	120.9
688	S	40.4	Very low	38.4	Very low	101 Å²	101	120.6 Å²	120.6	71%	0.706	76%	0.761	S	S	*	*			trans	67.8	147.3	158.5	74.7	0	0	0	0	116.8
689	E	34	Very low	38.3	Very low	176 Å²	176	128 Å²	128	82%	0.822	77%	0.77	S	S	*	*			cis	-164.3	-173.8	-20.4	-124	167.3	103.7	0	0	109.5
690	S	39.5	Very low	38.2	Very low	107 Å²	107	125.5 Å²	125.5	75%	0.748	77%	0.766	S	S	*	*			trans	63.2	98.8	159.5	57.3	0	0	0	0	120.2
691	S	41.1	Very low	38	Very low	119 Å²	119	130.9 Å²	130.9	83%	0.832	77%	0.773	S	S	*	*				19.4	149.3	125.6	-49.9	0	0	0	0	123
692	P	41.7	Very low	37.8	Very low	122 Å²	122	130.3 Å²	130.3	79%	0.792	77%	0.774	S	S	*	*			trans	-98.1	175.4	-174.2	41.2	-39	0	0	0	115.2
693	P	42.2	Very low	37.6	Very low	126 Å²	126	130.7 Å²	130.7	82%	0.818	77%	0.769	S	S	*	*			trans	-116.8	164.7	149.5	37.5	-27.5	0	0	0	113.4
694	Q	35	Very low	37.4	Very low	186 Å²	186	136.8 Å²	136.8	87%	0.869	78%	0.775	S	S	*	*			trans	-93.5	174.3	173.6	-59	-178.8	-33.1	0	0	111.7
695	V	40	Very low	37.5	Very low	122 Å²	122	137.1 Å²	137.1	74%	0.739	78%	0.778	S	S	*	*				174.1	124.2	128.5	149.1	0	0	0	0	113.3
696	E	37.1	Very low	37.5	Very low	178 Å²	178	137.6 Å²	137.6	83%	0.832	78%	0.781	S	S	*	*			trans	54.5	121.4	145.3	-60.6	169.3	-167.8	0	0	125.2
697	S	34.7	Very low	37.5	Very low	110 Å²	110	136.7 Å²	136.7	77%	0.769	79%	0.787	S	S	*	*				-15.6	168.7	129.1	-123.9	0	0	0	0	117.8
698	P	43.8	Very low	37.4	Very low	101 Å²	101	136.5 Å²	136.5	66%	0.656	79%	0.791	S	S	*	*			cis	-153.5	-168.8	34.2	29.4	-0.4	0	0	0	119.1
699	Y	35.4	Very low	37	Very low	221 Å²	221	136.6 Å²	136.6	87%	0.867	79%	0.792	S	S	*	*			trans	109.5	150.6	154.5	-80.2	-73.6	0	0	0	120.6
700	S	33.7	Very low	37	Very low	100 Å²	100	135.7 Å²	135.7	70%	0.699	79%	0.793	S	S	*	*			trans	-141.9	166.2	-162.9	58.4	0	0	0	0	111.3
701	Y	37.3	Very low	36.8	Very low	230 Å²	230	134.8 Å²	134.8	90%	0.902	79%	0.787	S	S	*	*			trans	-144.2	143.2	163.3	-117.1	-86.7	0	0	0	111.2
702	A	33.6	Very low	36.3	Very low	85 Å²	85	136.5 Å²	136.5	70%	0.702	79%	0.786	S	S	*	*			trans	-153.6	141.4	177.7	0	0	0	0	0	111
703	N	35.9	Very low	36	Very low	143 Å²	143	136.6 Å²	136.6	77%	0.765	79%	0.79	S	S	*	*			trans	-171.7	136	158	-89.2	-38.4	0	0	0	107.1
704	R	31.9	Very low	35.6	Very low	233 Å²	233	137.4 Å²	137.4	88%	0.879	79%	0.792	S	S	*	*			cis	108.4	94.9	26.2	-85.1	-173.4	175.8	-100.2	1.5	112.5
705	S	38.4	Very low	35.5	Very low	111 Å²	111	134.6 Å²	134.6	78%	0.776	79%	0.792	S	S	*	*			trans	-162.8	120.8	149.7	53.7	0	0	0	0	107.8
706	S	37.6	Very low	35.1	Very low	122 Å²	122	134.6 Å²	134.6	85%	0.853	79%	0.792	S	S	*	*			cis	110.8	118.1	26.3	64.5	0	0	0	0	110.9
707	G	36.2	Very low	35	Very low	79 Å²	79	131.3 Å²	131.3	81%	0.814	79%	0.789	S	S	*	*			trans	120.8	87.9	-178.2	0	0	0	0	0	111.4
708	A	35.3	Very low	35.4	Very low	94 Å²	94	131.4 Å²	131.4	78%	0.777	79%	0.787	S	S	*	*				82.5	87	55.6	0	0	0	0	0	114
709	S	33	Very low	35	Very low	103 Å²	103	131.9 Å²	131.9	72%	0.72	79%	0.793	S	S	*	*			trans	20.8	123.5	141.6	56.6	0	0	0	0	120.1
710	N	34.1	Very low	35.2	Very low	158 Å²	158	128.3 Å²	128.3	85%	0.845	79%	0.787	S	S	*	*				-168	154.8	109.5	-100.9	-13.8	0	0	0	116.2
711	S	34.6	Very low	35.3	Very low	87 Å²	87	128.2 Å²	128.2	61%	0.608	79%	0.787	S	S	*	*			trans	-22.8	144.1	169.5	57.9	0	0	0	0	121.6
712	N	31.9	Very low	35.3	Very low	155 Å²	155	123.3 Å²	123.3	83%	0.829	78%	0.78	S	S	*	*			trans	48.9	115.4	133.4	-55.2	-1.4	0	0	0	120.2
713	S	35.3	Very low	35.5	Very low	125 Å²	125	128.2 Å²	128.2	87%	0.874	79%	0.789	S	S	*	*				-169.7	145.7	116.6	35	0	0	0	0	112.2
714	V	33.9	Very low	35.4	Very low	142 Å²	142	131.6 Å²	131.6	86%	0.861	79%	0.791	S	S	*	*			trans	-96.9	134.2	167.5	172.8	0	0	0	0	107.8
715	C	31.2	Very low	35.6	Very low	127 Å²	127	128.1 Å²	128.1	86%	0.858	78%	0.784	S	S	*	*			trans	-144.5	121.5	161.2	-150.6	0	0	0	0	113.1
716	T	31.8	Very low	35.4	Very low	122 Å²	122	129 Å²	129	75%	0.748	78%	0.776	S	S	*	*			trans	-53.3	153.8	-179.3	-41.1	0	0	0	0	115.7
717	S	36.5	Very low	35.4	Very low	110 Å²	110	132.5 Å²	132.5	77%	0.769	77%	0.77	S	S	*	*			trans	-59.9	168.9	166.8	-21.5	0	0	0	0	113.9
718	P	41.7	Very low	35.4	Very low	111 Å²	111	135.3 Å²	135.3	72%	0.721	77%	0.767	S	S	*	*			trans	-146.2	142	137.1	35.8	-20.1	0	0	0	117
719	S	35.2	Very low	35.5	Very low	112 Å²	112	140.4 Å²	140.4	78%	0.783	77%	0.771	S	S	*	*			trans	67.5	165.3	141.9	-58	0	0	0	0	119.1
720	I	39.6	Very low	36.1	Very low	146 Å²	146	140.5 Å²	140.5	75%	0.749	77%	0.77	S	S	*	*			cis	-149.8	126.3	0.5	-128.8	151.3	0	0	0	106.4
721	S	35.9	Very low	36.2	Very low	98 Å²	98	138.5 Å²	138.5	69%	0.685	76%	0.763	S	S	*	*				81	127.8	84.8	-56.7	0	0	0	0	118.1
722	V	38	Very low	36.5	Very low	127 Å²	127	142 Å²	142	77%	0.77	77%	0.769	S	S	*	*			trans	74.9	147.4	148.2	171.3	0	0	0	0	116
723	E	36.9	Very low	36.5	Very low	187 Å²	187	141.1 Å²	141.1	87%	0.874	77%	0.765	S	S	*	*			cis	-141.5	-160	15.3	-154.6	139.6	-145.4	0	0	115.1
724	R	34.2	Very low	36.8	Very low	214 Å²	214	142.1 Å²	142.1	81%	0.808	76%	0.759	S	S	*	*			trans	-116.3	161.7	-176	-75.2	-175.2	168.2	106.4	-6.9	114.5
725	H	36.6	Very low	37	Very low	161 Å²	161	142.6 Å²	142.6	75%	0.745	75%	0.752	S	S	*	*			trans	81	119.3	143.2	-82.1	-50.4	0	0	0	123.1
726	E	34.9	Very low	37.1	Very low	130 Å²	130	141.6 Å²	141.6	61%	0.607	75%	0.746	S	S	*	*				79.8	132.2	126.3	-70	-110	97.1	0	0	123.6
727	R	36.4	Very low	37.7	Very low	194 Å²	194	141.4 Å²	141.4	73%	0.732	75%	0.747	S	S	*	*			trans	93	129.2	138.3	-89.9	177.6	-108.2	154.7	-1.1	122.9
728	N	37.5	Very low	37.9	Very low	138 Å²	138	142.4 Å²	142.4	74%	0.738	75%	0.748	S	S	*	*			trans	83.1	91.3	144.5	-58.7	-15.9	0	0	0	122.4
729	K	35.7	Very low	37.6	Very low	201 Å²	201	145.5 Å²	145.5	87%	0.874	75%	0.753	S	S	*	*				14.1	161.9	107.6	-81.4	-176	179.3	-179	0	120
730	P	45.3	Very low	37.7	Very low	105 Å²	105	145.2 Å²	145.2	68%	0.682	75%	0.751	S	S	*	*			cis	-143.7	-153.1	-10.6	33.7	-7.9	0	0	0	115.3
731	V	37.7	Very low	37.7	Very low	116 Å²	116	144 Å²	144	70%	0.703	75%	0.75	S	S	*	*			trans	66.8	151.4	164.4	-90.1	0	0	0	0	119.7
732	H	40.9	Very low	37.6	Very low	161 Å²	161	144.2 Å²	144.2	75%	0.745	75%	0.75	S	S	*	*			cis	-129.4	150.1	-1.3	-83.4	-78.6	0	0	0	108.8
733	N	32.3	Very low	37.4	Very low	137 Å²	137	144.3 Å²	144.3	73%	0.733	75%	0.746	S	S	*	*				75.4	150.3	58.2	-161.3	33.7	0	0	0	116.3
734	I	40.1	Very low	37.4	Very low	145 Å²	145	140.7 Å²	140.7	74%	0.744	74%	0.737	S	S	*	*			trans	106.7	139.1	174.4	-61.3	164.5	0	0	0	115.5
735	Q	38.3	Very low	37.6	Very low	153 Å²	153	137 Å²	137	72%	0.715	74%	0.739	S	S	*	*			cis	-171.8	115.4	-28.5	-179.4	148.5	-28.7	0	0	115.5
736	S	33.6	Very low	37.3	Very low	106 Å²	106	134.5 Å²	134.5	74%	0.741	74%	0.739	S	S	*	*			trans	62.8	166.3	144.7	78.3	0	0	0	0	123.9
737	P	45.2	Very low	37.8	Very low	118 Å²	118	132.9 Å²	132.9	77%	0.766	74%	0.74	S	S	*	*			trans	-123.4	172.1	-167	43.9	-31.3	0	0	0	117.7
738	V	39.5	Very low	37.8	Very low	131 Å²	131	133.1 Å²	133.1	79%	0.794	74%	0.742	S	S	*	*			trans	-147.6	111.6	169.9	-179.2	0	0	0	0	107.3
739	Q	35	Very low	37.8	Very low	175 Å²	175	132.3 Å²	132.3	82%	0.818	74%	0.738	S	S	*	*				74	147.6	77.7	-71	-169.4	1.4	0	0	117.6
740	S	37.5	Very low	37.8	Very low	106 Å²	106	128.4 Å²	128.4	74%	0.741	73%	0.727	S	S	*	*			trans	82.6	146.1	160.4	85.8	0	0	0	0	118
741	V	39.4	Very low	37.3	Very low	121 Å²	121	130.9 Å²	130.9	73%	0.733	73%	0.734	S	S	*	*			cis	-164.4	150.8	-13.5	-105.9	0	0	0	0	110.9
742	C	34.5	Very low	37	Very low	102 Å²	102	130.4 Å²	130.4	69%	0.689	74%	0.736	S	S	*	*			trans	65	154.2	144.3	-69.7	0	0	0	0	120.3
743	N	34.3	Very low	36.6	Very low	129 Å²	129	128.4 Å²	128.4	69%	0.69	74%	0.739	S	S	*	*			cis	-161	154.4	-3.1	-118.1	-2.3	0	0	0	115.2
744	T	36.3	Very low	36.6	Very low	112 Å²	112	127 Å²	127	69%	0.687	74%	0.739	S	S	*	*			trans	68.9	130.5	142.7	53.9	0	0	0	0	125.5
745	T	38.3	Very low	36.6	Very low	136 Å²	136	125.8 Å²	125.8	83%	0.834	74%	0.741	S	S	*	*			trans	80.1	97.1	142.4	38.8	0	0	0	0	123.3
746	S	30.2	Very low	36.5	Very low	109 Å²	109	124.7 Å²	124.7	76%	0.762	75%	0.745	S	S	*	*			trans	-73.8	-176.2	133.8	-148.2	0	0	0	0	110.1
747	P	45.1	Very low	36.5	Very low	95 Å²	95	127.9 Å²	127.9	62%	0.617	75%	0.748	S	S	*	*			cis	-136.8	-165.9	-0.8	23.1	5.1	0	0	0	115.7
748	Y	37.6	Very low	36	Very low	199 Å²	199	127.1 Å²	127.1	78%	0.78	75%	0.746	S	S	*	*			trans	103.3	101.6	155.4	-70.8	-68	0	0	0	121.5
749	D	37.7	Very low	35.9	Very low	121 Å²	121	128.6 Å²	128.6	65%	0.647	75%	0.747	S	S	*	*				72.6	126.7	120.5	-79.8	35.6	0	0	0	125
750	N	34.6	Very low	35.8	Very low	120 Å²	120	124.4 Å²	124.4	64%	0.642	74%	0.737	S	S	*	*			trans	58.5	101.1	138.3	-53.6	-34	0	0	0	119.2
751	N	34.8	Very low	35.7	Very low	157 Å²	157	126.6 Å²	126.6	84%	0.84	74%	0.741	S	S	*	*				-176.8	169.2	87.9	-96.3	-65.1	0	0	0	113.8
752	S	32.1	Very low	35.3	Very low	106 Å²	106	126 Å²	126	74%	0.741	74%	0.742	S	S	*	*			trans	-79.2	138.2	178.5	45.1	0	0	0	0	114
753	C	31.9	Very low	35.2	Very low	118 Å²	118	126.2 Å²	126.2	80%	0.797	74%	0.744	S	S	*	*				-176	121.9	128.1	-112.2	0	0	0	0	114.4
754	S	32.9	Very low	35.2	Very low	107 Å²	107	124.1 Å²	124.1	75%	0.748	74%	0.74	S	S	*	*			trans	51.3	141.7	146.3	56.8	0	0	0	0	122.4
755	P	40.2	Very low	35	Very low	120 Å²	120	126 Å²	126	78%	0.779	74%	0.741	S	S	*	*			trans	-97.3	169.1	-176.7	40.2	-37.3	0	0	0	114.7
756	V	36.1	Very low	34.7	Very low	130 Å²	130	128.1 Å²	128.1	79%	0.788	75%	0.746	S	S	*	*			trans	-157	129.9	146.9	-101.9	0	0	0	0	112.5
757	E	34.2	Very low	34.7	Very low	173 Å²	173	128.9 Å²	128.9	81%	0.808	75%	0.746	S	S	*	*			trans	59.1	113.4	136.7	-67.9	179.8	-163.6	0	0	123.7
758	S	32.8	Very low	34.3	Very low	103 Å²	103	129.7 Å²	129.7	72%	0.72	75%	0.754	S	S	*	*				83.1	112.3	117.1	-58.4	0	0	0	0	122.1
759	I	37.5	Very low	34	Very low	162 Å²	162	127.2 Å²	127.2	83%	0.831	75%	0.754	S	S	*	*			trans	179.1	95.8	139.6	-90	148	0	0	0	103.9
760	S	34.5	Very low	33.8	Very low	86 Å²	86	133.3 Å²	133.3	60%	0.601	77%	0.768	S	S	*	*				90.6	137.7	59.5	70.9	0	0	0	0	113.7
761	N	33.8	Very low	33.9	Very low	153 Å²	153	133.2 Å²	133.2	82%	0.818	77%	0.774	S	S	*	*			trans	83.1	147.8	172.9	-49.1	-11.9	0	0	0	116.3
762	S	31.5	Very low	33.7	Very low	109 Å²	109	130.8 Å²	130.8	76%	0.762	77%	0.769	S	S	*	*			cis	177.5	113.9	-40	47.1	0	0	0	0	110.5
763	S	33.3	Very low	33.8	Very low	105 Å²	105	131.1 Å²	131.1	73%	0.734	77%	0.77	S	S	*	*			trans	-170.6	130.9	149	-159.7	0	0	0	0	107.7
764	S	33.1	Very low	33.9	Very low	86 Å²	86	129.8 Å²	129.8	60%	0.601	77%	0.768	S	S	*	*			cis	89.9	118.3	22.7	89.3	0	0	0	0	115.5
765	H	32.1	Very low	33.9	Very low	151 Å²	151	133 Å²	133	70%	0.699	78%	0.776	S	S	*	*			trans	35.1	126.4	161.2	68.3	-3.8	0	0	0	120.8
766	L	31.9	Very low	33.7	Very low	181 Å²	181	135.9 Å²	135.9	95%	0.948	78%	0.779	S	S	*	*			trans	-136	122	133.9	-79.8	-178.4	0	0	0	108.3
767	T	31.4	Very low	33.7	Very low	124 Å²	124	136.9 Å²	136.9	76%	0.761	78%	0.78	S	S	*	*			trans	-133	134.8	176.2	47.5	0	0	0	0	107.8
768	S	36	Very low	33.9	Very low	113 Å²	113	136.2 Å²	136.2	79%	0.79	78%	0.781	S	S	*	*			trans	-123.1	93.7	174	56.2	0	0	0	0	111
769	N	31.5	Very low	34.1	Very low	146 Å²	146	138.7 Å²	138.7	78%	0.781	79%	0.786	S	S	*	*				58.3	81.6	129.1	-62.2	10.5	0	0	0	118.8
770	W	34.1	Very low	34	Very low	250 Å²	250	137.8 Å²	137.8	95%	0.947	78%	0.782	S	S	*	*			trans	-108.5	137.7	138.7	-83.4	34.9	0	0	0	107.7
771	P	35.3	Very low	34.4	Very low	117 Å²	117	141.7 Å²	141.7	76%	0.76	80%	0.795	S	S	*	*			trans	-75.7	146.5	-171.3	30	-34.9	0	0	0	112.7
772	S	31.5	Very low	34.5	Very low	106 Å²	106	141.4 Å²	141.4	74%	0.741	79%	0.788	S	S	*	*			trans	-112.2	114.2	172.3	176.8	0	0	0	0	109.5
773	C	34.7	Very low	34.7	Very low	113 Å²	113	144.2 Å²	144.2	76%	0.764	79%	0.789	S	S	*	*			trans	-136.1	83.2	178.3	-81.2	0	0	0	0	111.4
774	A	33.3	Very low	34.7	Very low	91 Å²	91	143.8 Å²	143.8	75%	0.752	78%	0.784	S	S	*	*			trans	44.6	96.5	148.7	0	0	0	0	0	120.1
775	L	33.3	Very low	34.7	Very low	175 Å²	175	146.2 Å²	146.2	92%	0.916	80%	0.795	S	S	*	*			trans	-141.5	41.7	137.9	-161.4	60.6	0	0	0	112.2	D777	L775-D777 PolarHBondContact O-N 3.04Å
776	E	35.4	Very low	34.7	Very low	180 Å²	180	143.1 Å²	143.1	84%	0.841	79%	0.791	S	S	*	*			trans	-97.6	59.1	178.6	-65	176.7	121.7	0	0	111.1
777	D	35.9	Very low	34.8	Very low	151 Å²	151	141.8 Å²	141.8	81%	0.807	78%	0.784	S	S	*	*			trans	-151.4	41.7	178.1	-146.1	2.7	0	0	0	114.7	L775	L775-D777 PolarHBondContact O-N 3.04Å
778	L	38.3	Very low	34.8	Very low	158 Å²	158	142.5 Å²	142.5	83%	0.827	78%	0.782	S	S	*	*	S	Bend	trans	-156.5	131.8	156.3	-138.4	77.8	0	0	0	114
779	L	37.9	Very low	34.4	Very low	156 Å²	156	143.4 Å²	143.4	82%	0.817	78%	0.778	S	S	*	*			trans	69.5	70.9	166.4	-53.7	-176.8	0	0	0	117.9
780	D	35.5	Very low	34.7	Very low	142 Å²	142	146.6 Å²	146.6	76%	0.759	79%	0.786	S	S	*	*			trans	-32.1	134.1	138.1	-88.2	-60.2	0	0	0	113.6
781	I	42.2	Very low	34.6	Very low	168 Å²	168	140 Å²	140	86%	0.862	78%	0.777	S	S	*	*				-153.9	103.9	118.7	-95.7	150.1	0	0	0	108.9
782	H	36.6	Very low	34.6	Very low	148 Å²	148	138.1 Å²	138.1	69%	0.685	77%	0.772	S	S	*	*			trans	-39.9	141.6	156.9	-121.2	-127.3	0	0	0	110.9
783	E	35	Very low	34.9	Very low	168 Å²	168	141.1 Å²	141.1	79%	0.785	78%	0.779	S	S	*	*			cis	-156.7	169.2	42.3	-100.4	-161.7	164.2	0	0	115.1
784	P	33.5	Very low	35.1	Very low	95 Å²	95	139.4 Å²	139.4	62%	0.617	78%	0.781	S	S	*	*			trans	-106.2	162.1	-169.1	40.6	-35.6	0	0	0	116.3
785	T	33	Very low	35.1	Very low	138 Å²	138	145.9 Å²	145.9	85%	0.847	79%	0.788	S	S	*	*			trans	-166.1	109.4	155.5	-8.4	0	0	0	0	106.9
786	S	32.3	Very low	35.5	Very low	85 Å²	85	146.4 Å²	146.4	59%	0.594	79%	0.786	S	S	*	*			cis	73.2	127.9	26.9	107.6	0	0	0	0	114.8
787	L	34.1	Very low	35.9	Very low	153 Å²	153	143.1 Å²	143.1	80%	0.801	78%	0.778	S	S	*	*			trans	63.8	118	-177.6	-81.7	70.3	0	0	0	114.3
788	L	31.5	Very low	36.6	Very low	140 Å²	140	140.4 Å²	140.4	73%	0.733	78%	0.776	S	S	*	*				86.1	141.5	58.7	-82.8	167.9	0	0	0	114.5
789	D	28.3	Very low	37.6	Very low	132 Å²	132	139 Å²	139	71%	0.706	77%	0.773	S	S	*	*			trans	39.6	90.2	158.3	-67.6	-3.7	0	0	0	118.8
790	F	37	Very low	38.8	Very low	213 Å²	213	134.6 Å²	134.6	93%	0.934	75%	0.754	S	S	*	*			trans	-131.6	99.8	143	-83	-69.5	0	0	0	113.7
791	S	32.7	Very low	40.9	Very low	111 Å²	111	131.9 Å²	131.9	78%	0.776	74%	0.743	S	S	*	*			trans	-64.8	179.8	149.3	-160.9	0	0	0	0	110.5
792	A	35.4	Very low	42.8	Very low	78 Å²	78	127.8 Å²	127.8	65%	0.645	73%	0.734	S	S	*	*	S	Bend	trans	-53.4	161.3	-164.8	0	0	0	0	0	117.3
793	D	36.7	Very low	44.9	Very low	168 Å²	168	129.4 Å²	129.4	90%	0.898	74%	0.739	S	S	*	*			trans	76.7	95.7	165.1	-55.4	-22.9	0	0	0	118.5
794	G	38.2	Very low	46.9	Very low	78 Å²	78	125 Å²	125	80%	0.804	72%	0.719	S	S	*	*			trans	163.4	85.9	161.2	0	0	0	0	0	117.1	Q796	G794-Q796 PolarHBondContact O-N 3.48Å
795	Y	35.4	Very low	49.2	Very low	227 Å²	227	126.8 Å²	126.8	89%	0.89	72%	0.719	S	S	*	*			trans	-72.3	124.7	166.4	-98.1	-103.2	0	0	0	111.2
796	Q	39.9	Very low	51.7	Low	186 Å²	186	128.5 Å²	128.5	87%	0.869	71%	0.71	S	S	*	*			trans	-137.2	116.5	157.2	-81	-67.7	-3.7	0	0	108.5	G794 A798	G794-Q796 PolarHBondContact O-N 3.48Å; Q796-A798 PolarHBondContact O-N 2.88Å
797	V	44.8	Very low	54.2	Low	111 Å²	111	128.4 Å²	128.4	67%	0.673	70%	0.702	S	S	*	*			trans	-80.6	112.7	-179.6	178.3	0	0	0	0	109.2	V799	V797-V799 PolarHBondContact O-N 3.13Å; V797-V799 VanDerWaalsContact O-N 3.14Å
798	A	50.9	Low	56.4	Low	93 Å²	93	126.7 Å²	126.7	77%	0.769	69%	0.685	S	S	*	*			trans	-64.8	112.1	172.3	0	0	0	0	0	110	Q796 P800	Q796-A798 PolarHBondContact O-N 2.88Å; A798-P800 WeakPolarHBondContact O-CD 3.1Å
799	V	58.5	Low	59	Low	128 Å²	128	124.7 Å²	124.7	78%	0.776	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-68.7	124.8	177.6	179.6	0	0	0	0	109.1	V797	V797-V799 PolarHBondContact O-N 3.13Å; V797-V799 VanDerWaalsContact O-N 3.14Å
800	P	63.1	Low	61.9	Low	64 Å²	64	122.6 Å²	122.6	42%	0.416	66%	0.658	S	S	.	*	P	Polyproline II helix	trans	-57.3	142	179.6	-26.5	35.2	0	0	0	112.5	A798	A798-P800 WeakPolarHBondContact O-CD 3.1Å
801	T	80	Confident	64.2	Low	85 Å²	85	120.7 Å²	120.7	52%	0.521	64%	0.644	S	S	.	*	P	Polyproline II helix	trans	-70.3	151.3	175.7	70.7	0	0	0	0	110.8	K803 E804 E805	T801-K803 PolarHBondContact O-N 3.38Å; T801-E804 WeakPolarHBondContact O-CA 3.42Å; T801-E804 WeakPolarHBondContact O-CB 3.34Å; T801-E804 PolarHBondContact O-N 2.87Å; T801-E804 PolarHBondContact OG1-N 3.24Å; T801-E805 PolarHBondContact O-N 2.9Å
802	A	82.1	Confident	66.8	Low	82 Å²	82	124.3 Å²	124.3	68%	0.678	64%	0.641	S	S	*	*	H	α-helix	trans	-58.6	-22.6	178.3	0	0	0	0	0	113.9	R806	A802-R806 WeakPolarHBondContact O-CB 3.37Å; A802-R806 PolarHBondContact O-N 3.39Å
803	K	80.7	Confident	69.4	Low	183 Å²	183	125.8 Å²	125.8	80%	0.796	63%	0.633	S	S	*	*	H	α-helix	trans	-68.9	-44.6	170.2	-70.6	-176.1	178	179.8	0	111.6	T801 R806 L807	T801-K803 PolarHBondContact O-N 3.38Å; K803-R806 PolarHBondContact O-N 3.04Å; K803-L807 PolarHBondContact O-N 3.02Å
804	E	77.7	Confident	71.9	Confident	75 Å²	75	124.3 Å²	124.3	35%	0.35	62%	0.618	S	S	.	*	H	α-helix	trans	-71.7	-36.6	-179	-160	-164.9	148.7	0	0	111.9	T801 L807 R808	T801-E804 WeakPolarHBondContact O-CA 3.42Å; T801-E804 WeakPolarHBondContact O-CB 3.34Å; T801-E804 PolarHBondContact O-N 2.87Å; T801-E804 PolarHBondContact OG1-N 3.24Å; E804-L807 PolarHBondContact O-N 2.91Å; E804-R808 PolarHBondContact O-N 2.95Å; E804-R808 IonicContact OE1-CZ 2.83Å; E804-R808 IonicContact OE1-NH1 2.7Å; E804-R808 PolarHBondContact OE1-NH1 3.17Å; E804-R808 IonicContact OE1-NH2 2.69Å; E804-R808 PolarHBondContact OE1-NH2 3.48Å
805	E	80.6	Confident	74.1	Confident	132 Å²	132	123.1 Å²	123.1	62%	0.617	60%	0.601	S	S	*	*	H	α-helix	trans	-63.2	-46.2	171.5	-175.5	168.7	-143.4	0	0	111.5	T801 L807 R808 E809	T801-E805 PolarHBondContact O-N 2.9Å; E805-L807 VanDerWaalsContact C-N 3.28Å; E805-L807 PolarHBondContact O-N 3.28Å; E805-R808 WeakPolarHBondContact O-CB 3.14Å; E805-R808 PolarHBondContact O-N 3Å; E805-R808 VanDerWaalsContact O-N 3.14Å; E805-E809 PolarHBondContact O-N 3.23Å
806	R	86.2	Confident	76.7	Confident	175 Å²	175	115 Å²	115	66%	0.66	58%	0.581	S	S	*	*	H	α-helix	trans	-58.4	-39.4	173.5	-177.9	175.2	173.3	170.8	-1.7	112.1	A802 K803 E809 E810	A802-R806 WeakPolarHBondContact O-CB 3.37Å; A802-R806 PolarHBondContact O-N 3.39Å; K803-R806 PolarHBondContact O-N 3.04Å; R806-E809 PolarHBondContact O-N 3.34Å; R806-E810 PolarHBondContact O-N 2.92Å
807	L	84.7	Confident	79	Confident	83 Å²	83	112.3 Å²	112.3	44%	0.435	57%	0.568	S	S	.	*	H	α-helix	trans	-68	-39	175.6	-172.8	65	0	0	0	112.2	K803 E804 E805 E809 E810 R811	K803-L807 PolarHBondContact O-N 3.02Å; E804-L807 PolarHBondContact O-N 2.91Å; E805-L807 VanDerWaalsContact C-N 3.28Å; E805-L807 PolarHBondContact O-N 3.28Å; L807-E809 VanDerWaalsContact C-N 3.32Å; L807-E810 PolarHBondContact O-N 3.02Å; L807-R811 WeakPolarHBondContact O-CB 3.49Å; L807-R811 VanDerWaalsContact O-CG 3.31Å; L807-R811 WeakPolarHBondContact O-CG 3.45Å; L807-R811 PolarHBondContact O-N 3.47Å
808	R	80.5	Confident	81	Confident	116 Å²	116	112.2 Å²	112.2	44%	0.438	56%	0.564	S	S	.	*	H	α-helix	trans	-62.1	-39	170.6	-77.7	-167.4	179.2	81.9	9.3	111.6	E804 E805 R811 R812	E804-R808 PolarHBondContact O-N 2.95Å; E804-R808 IonicContact OE1-CZ 2.83Å; E804-R808 IonicContact OE1-NH1 2.7Å; E804-R808 PolarHBondContact OE1-NH1 3.17Å; E804-R808 IonicContact OE1-NH2 2.69Å; E804-R808 PolarHBondContact OE1-NH2 3.48Å; E805-R808 WeakPolarHBondContact O-CB 3.14Å; E805-R808 PolarHBondContact O-N 3Å; E805-R808 VanDerWaalsContact O-N 3.14Å; R808-R811 PolarHBondContact O-N 3.47Å; R808-R812 WeakPolarHBondContact O-CB 3.49Å; R808-R812 WeakPolarHBondContact O-CG 3.18Å; R808-R812 PolarHBondContact O-N 3.09Å
809	E	86.6	Confident	82.6	Confident	98 Å²	98	111.6 Å²	111.6	46%	0.458	55%	0.55	S	S	.	*	H	α-helix	trans	-70.4	-38.7	178.9	-147.8	-156.2	164	0	0	112.3	E805 R806 L807 R812 K813	E805-E809 PolarHBondContact O-N 3.23Å; R806-E809 PolarHBondContact O-N 3.34Å; L807-E809 VanDerWaalsContact C-N 3.32Å; E809-R812 PolarHBondContact O-N 3.2Å; E809-K813 WeakPolarHBondContact O-CB 3.49Å; E809-K813 WeakPolarHBondContact O-CG 3.49Å; E809-K813 PolarHBondContact O-N 2.96Å; E809-K813 WeakPolarHBondContact OE1-CE 3.5Å; E809-K813 IonicContact OE1-NZ 2.96Å; E809-K813 PolarHBondContact OE1-NZ 3.19Å; E809-K813 IonicContact OE2-NZ 2.8Å; E809-K813 PolarHBondContact OE2-NZ 2.92Å
810	E	87.5	Confident	83.8	Confident	88 Å²	88	109.2 Å²	109.2	41%	0.411	54%	0.536	S	S	.	.	H	α-helix	trans	-62.2	-44.4	170.1	-81.9	-159	-177	0	0	112.3	R806 L807 R812 K813 K814	R806-E810 PolarHBondContact O-N 2.92Å; L807-E810 PolarHBondContact O-N 3.02Å; E810-R812 VanDerWaalsContact C-N 3.32Å; E810-R812 PolarHBondContact O-N 3.43Å; E810-K813 PolarHBondContact O-N 3.24Å; E810-K814 PolarHBondContact O-N 2.9Å
811	R	85.2	Confident	84.8	Confident	173 Å²	173	111.9 Å²	111.9	65%	0.653	54%	0.543	S	S	*	.	H	α-helix	trans	-59.4	-42.7	175.3	-73.2	175	179.8	-170.4	0.2	111.1	L807 R808 A815	L807-R811 WeakPolarHBondContact O-CB 3.49Å; L807-R811 VanDerWaalsContact O-CG 3.31Å; L807-R811 WeakPolarHBondContact O-CG 3.45Å; L807-R811 PolarHBondContact O-N 3.47Å; R808-R811 PolarHBondContact O-N 3.47Å; R811-A815 WeakPolarHBondContact O-CB 3.45Å; R811-A815 PolarHBondContact O-N 3.49Å
812	R	87.1	Confident	84.8	Confident	187 Å²	187	112 Å²	112	71%	0.706	54%	0.54	S	S	*	.	H	α-helix	trans	-62.1	-43.3	172.9	-77.1	175.5	172.5	174.5	-1.6	112.5	R808 E809 E810 A815 A816	R808-R812 WeakPolarHBondContact O-CB 3.49Å; R808-R812 WeakPolarHBondContact O-CG 3.18Å; R808-R812 PolarHBondContact O-N 3.09Å; E809-R812 PolarHBondContact O-N 3.2Å; E810-R812 VanDerWaalsContact C-N 3.32Å; E810-R812 PolarHBondContact O-N 3.43Å; R812-A815 PolarHBondContact O-N 2.91Å; R812-A816 WeakPolarHBondContact O-CB 3.5Å; R812-A816 PolarHBondContact O-N 2.98Å
813	K	92	Very high	84.7	Confident	109 Å²	109	115.5 Å²	115.5	47%	0.474	54%	0.54	S	S	.	.	H	α-helix	trans	-65.4	-43.8	178.3	-75.6	166.7	-177.8	163.2	0	112.1	E809 E810 A816 Q817	E809-K813 WeakPolarHBondContact O-CB 3.49Å; E809-K813 WeakPolarHBondContact O-CG 3.49Å; E809-K813 PolarHBondContact O-N 2.96Å; E809-K813 WeakPolarHBondContact OE1-CE 3.5Å; E809-K813 IonicContact OE1-NZ 2.96Å; E809-K813 PolarHBondContact OE1-NZ 3.19Å; E809-K813 IonicContact OE2-NZ 2.8Å; E809-K813 PolarHBondContact OE2-NZ 2.92Å; E810-K813 PolarHBondContact O-N 3.24Å; K813-A816 PolarHBondContact O-N 3.5Å; K813-Q817 WeakPolarHBondContact O-CG 3.28Å; K813-Q817 PolarHBondContact O-N 3.15Å
814	K	89.3	Confident	84.6	Confident	137 Å²	137	111.3 Å²	111.3	60%	0.596	53%	0.526	S	S	*	.	H	α-helix	trans	-63.2	-44.8	174.4	-73.4	177.6	176.7	172.7	0	111.8	E810 A816 Q817 L818	E810-K814 PolarHBondContact O-N 2.9Å; K814-A816 PolarHBondContact O-N 2.91Å; K814-Q817 PolarHBondContact O-N 2.97Å; K814-L818 PolarHBondContact O-N 3.31Å
815	A	84.4	Confident	84.2	Confident	54 Å²	54	111.1 Å²	111.1	45%	0.446	53%	0.53	S	S	.	.	H	α-helix	trans	-62	-42.6	175.5	0	0	0	0	0	112.5	R811 R812 L818 V819	R811-A815 WeakPolarHBondContact O-CB 3.45Å; R811-A815 PolarHBondContact O-N 3.49Å; R812-A815 PolarHBondContact O-N 2.91Å; A815-L818 PolarHBondContact O-N 3.04Å; A815-V819 WeakPolarHBondContact O-CG2 3.29Å; A815-V819 PolarHBondContact O-N 3.11Å
816	A	89	Confident	83.1	Confident	56 Å²	56	109.1 Å²	109.1	46%	0.463	52%	0.523	S	S	.	.	H	α-helix	trans	-63	-42.4	175.5	0	0	0	0	0	112.1	R812 K813 K814 V819 T820	R812-A816 WeakPolarHBondContact O-CB 3.5Å; R812-A816 PolarHBondContact O-N 2.98Å; K813-A816 PolarHBondContact O-N 3.5Å; K814-A816 PolarHBondContact O-N 2.91Å; A816-V819 PolarHBondContact O-N 3.38Å; A816-T820 WeakPolarHBondContact O-CG2 3.41Å; A816-T820 PolarHBondContact O-N 3.3Å; A816-T820 PolarHBondContact O-OG1 2.94Å
817	Q	89.1	Confident	81.7	Confident	129 Å²	129	104.4 Å²	104.4	60%	0.603	52%	0.517	S	S	*	.	H	α-helix	trans	-59.2	-46.5	173.6	-78	177.9	-20.9	0	0	111.6	K813 K814 V819 T820 Q821	K813-Q817 WeakPolarHBondContact O-CG 3.28Å; K813-Q817 PolarHBondContact O-N 3.15Å; K814-Q817 PolarHBondContact O-N 2.97Å; Q817-V819 PolarHBondContact O-N 3.38Å; Q817-T820 WeakPolarHBondContact CA-OG1 3.44Å; Q817-T820 PolarHBondContact O-N 2.9Å; Q817-T820 VanDerWaalsContact O-N 3.1Å; Q817-T820 PolarHBondContact O-OG1 3.41Å; Q817-Q821 WeakPolarHBondContact O-CG 3.46Å; Q817-Q821 PolarHBondContact O-N 3.45Å
818	L	85.1	Confident	80.2	Confident	109 Å²	109	106.9 Å²	106.9	57%	0.571	53%	0.529	S	S	*	.	H	α-helix	trans	-58.8	-45.6	177	-156.1	169.6	0	0	0	111.1	K814 A815 T820 Q821 L822	K814-L818 PolarHBondContact O-N 3.31Å; A815-L818 PolarHBondContact O-N 3.04Å; L818-T820 VanDerWaalsContact C-N 3.33Å; L818-T820 PolarHBondContact O-N 3.37Å; L818-Q821 PolarHBondContact O-N 3.02Å; L818-L822 HydrophobicContact CD2-CD1 3.47Å; L818-L822 VanDerWaalsContact CD2-CD1 3.47Å; L818-L822 HydrophobicContact CD2-CG 3.89Å; L818-L822 PolarHBondContact O-N 3.15Å
819	V	84.9	Confident	78.7	Confident	81 Å²	81	106.3 Å²	106.3	49%	0.491	54%	0.539	S	S	.	.	H	α-helix	trans	-62.7	-35.8	174.7	172	0	0	0	0	112.4	A815 A816 Q817 K823	A815-V819 WeakPolarHBondContact O-CG2 3.29Å; A815-V819 PolarHBondContact O-N 3.11Å; A816-V819 PolarHBondContact O-N 3.38Å; Q817-V819 PolarHBondContact O-N 3.38Å; V819-K823 PolarHBondContact O-N 3.1Å
820	T	83.5	Confident	76.9	Confident	78 Å²	78	110.2 Å²	110.2	48%	0.479	55%	0.554	S	S	.	*	H	α-helix	trans	-69.2	-39.6	173.3	56.3	0	0	0	0	112.8	A816 Q817 L818 K823 L824	A816-T820 WeakPolarHBondContact O-CG2 3.41Å; A816-T820 PolarHBondContact O-N 3.3Å; A816-T820 PolarHBondContact O-OG1 2.94Å; Q817-T820 WeakPolarHBondContact CA-OG1 3.44Å; Q817-T820 PolarHBondContact O-N 2.9Å; Q817-T820 VanDerWaalsContact O-N 3.1Å; Q817-T820 PolarHBondContact O-OG1 3.41Å; L818-T820 VanDerWaalsContact C-N 3.33Å; L818-T820 PolarHBondContact O-N 3.37Å; T820-K823 PolarHBondContact O-N 3.13Å; T820-L824 WeakPolarHBondContact O-CG 3.27Å; T820-L824 PolarHBondContact O-N 2.93Å
821	Q	84.6	Confident	74.5	Confident	119 Å²	119	109.3 Å²	109.3	56%	0.556	57%	0.569	S	S	*	*	H	α-helix	trans	-61.9	-45.1	174.1	-68.3	-69.8	11.3	0	0	111	Q817 L818 K823 L824 T825	Q817-Q821 WeakPolarHBondContact O-CG 3.46Å; Q817-Q821 PolarHBondContact O-N 3.45Å; L818-Q821 PolarHBondContact O-N 3.02Å; Q821-K823 VanDerWaalsContact C-N 3.31Å; Q821-K823 PolarHBondContact O-N 3.45Å; Q821-L824 PolarHBondContact O-N 3.08Å; Q821-L824 VanDerWaalsContact O-N 3.13Å; Q821-T825 PolarHBondContact O-N 2.82Å; Q821-T825 PolarHBondContact O-OG1 3.31Å
822	L	80.4	Confident	72	Confident	89 Å²	89	106.8 Å²	106.8	47%	0.466	58%	0.577	S	S	.	*	H	α-helix	trans	-62.7	-33.9	175.3	-73.4	173.6	0	0	0	113	L818 T825 N826	L818-L822 HydrophobicContact CD2-CD1 3.47Å; L818-L822 VanDerWaalsContact CD2-CD1 3.47Å; L818-L822 HydrophobicContact CD2-CG 3.89Å; L818-L822 PolarHBondContact O-N 3.15Å; L822-T825 PolarHBondContact O-OG1 2.84Å; L822-N826 VanDerWaalsContact O-CB 3.29Å; L822-N826 WeakPolarHBondContact O-CB 3.48Å; L822-N826 PolarHBondContact O-N 3.33Å; L822-N826 VanDerWaalsContact O-N 3.09Å; L822-N826 PolarHBondContact O-ND2 3.45Å
823	K	79.8	Confident	69.9	Low	154 Å²	154	104.9 Å²	104.9	67%	0.67	58%	0.58	S	S	*	*	H	α-helix	trans	-68.5	-39.5	172.1	-80.7	-177.6	174.8	179.8	0	112.2	V819 T820 Q821 S827	V819-K823 PolarHBondContact O-N 3.1Å; T820-K823 PolarHBondContact O-N 3.13Å; Q821-K823 VanDerWaalsContact C-N 3.31Å; Q821-K823 PolarHBondContact O-N 3.45Å; K823-S827 WeakPolarHBondContact O-CB 3.49Å; K823-S827 PolarHBondContact O-N 3.42Å; K823-S827 VanDerWaalsContact O-N 3.08Å
824	L	77.7	Confident	67.4	Low	96 Å²	96	106.5 Å²	106.5	50%	0.503	59%	0.594	S	S	.	*	H	α-helix	trans	-65	-50.2	176.7	-70.1	168.5	0	0	0	111.2	T820 Q821 N826 S827 I828	T820-L824 WeakPolarHBondContact O-CG 3.27Å; T820-L824 PolarHBondContact O-N 2.93Å; Q821-L824 PolarHBondContact O-N 3.08Å; Q821-L824 VanDerWaalsContact O-N 3.13Å; L824-N826 PolarHBondContact O-N 3.34Å; L824-S827 PolarHBondContact O-N 3.31Å; L824-S827 VanDerWaalsContact O-N 3.07Å; L824-S827 PolarHBondContact O-OG 3.15Å; L824-I828 WeakPolarHBondContact O-CG1 3.45Å; L824-I828 PolarHBondContact O-N 2.95Å
825	T	69.4	Low	65.1	Low	70 Å²	70	105.5 Å²	105.5	43%	0.429	60%	0.599	S	S	.	*	H	α-helix	trans	-63.4	-39.4	179.2	57.3	0	0	0	0	112.7	Q821 L822 S827 I828 T829	Q821-T825 PolarHBondContact O-N 2.82Å; Q821-T825 PolarHBondContact O-OG1 3.31Å; L822-T825 PolarHBondContact O-OG1 2.84Å; T825-S827 VanDerWaalsContact C-N 3.28Å; T825-S827 PolarHBondContact O-N 2.87Å; T825-I828 PolarHBondContact O-N 3.39Å; T825-T829 PolarHBondContact O-N 3.08Å; T825-T829 PolarHBondContact O-OG1 3.31Å
826	N	58.6	Low	62.9	Low	91 Å²	91	107.9 Å²	107.9	49%	0.487	61%	0.612	S	S	.	*	H	α-helix	trans	-69.2	-21.4	174	-81.8	-76.2	0	0	0	114.1	L822 L824 T829	L822-N826 VanDerWaalsContact O-CB 3.29Å; L822-N826 WeakPolarHBondContact O-CB 3.48Å; L822-N826 PolarHBondContact O-N 3.33Å; L822-N826 VanDerWaalsContact O-N 3.09Å; L822-N826 PolarHBondContact O-ND2 3.45Å; L824-N826 PolarHBondContact O-N 3.34Å; N826-T829 PolarHBondContact O-OG1 3.14Å
827	S	56.6	Low	60.4	Low	75 Å²	75	110.9 Å²	110.9	52%	0.524	63%	0.626	S	S	.	*	H	α-helix	trans	-78.8	-37.6	172.3	76.2	0	0	0	0	112	K823 L824 T825 T829 K830	K823-S827 WeakPolarHBondContact O-CB 3.49Å; K823-S827 PolarHBondContact O-N 3.42Å; K823-S827 VanDerWaalsContact O-N 3.08Å; L824-S827 PolarHBondContact O-N 3.31Å; L824-S827 VanDerWaalsContact O-N 3.07Å; L824-S827 PolarHBondContact O-OG 3.15Å; T825-S827 VanDerWaalsContact C-N 3.28Å; T825-S827 PolarHBondContact O-N 2.87Å; S827-T829 VanDerWaalsContact C-N 3.28Å; S827-T829 PolarHBondContact O-N 3.36Å; S827-K830 PolarHBondContact O-N 2.84Å
828	I	53.1	Low	58.2	Low	135 Å²	135	110.5 Å²	110.5	69%	0.692	63%	0.632	S	S	*	*	H	α-helix	trans	-65.5	-30.6	179.6	-68.7	163.8	0	0	0	111.6	L824 T825 K830	L824-I828 WeakPolarHBondContact O-CG1 3.45Å; L824-I828 PolarHBondContact O-N 2.95Å; T825-I828 PolarHBondContact O-N 3.39Å; I828-K830 VanDerWaalsContact C-N 3.3Å; I828-K830 PolarHBondContact O-N 2.91Å
829	T	49.7	Very low	56.3	Low	105 Å²	105	111.2 Å²	111.2	64%	0.644	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	1.8	178.3	53.6	0	0	0	0	114.8	T825 N826 S827	T825-T829 PolarHBondContact O-N 3.08Å; T825-T829 PolarHBondContact O-OG1 3.31Å; N826-T829 PolarHBondContact O-OG1 3.14Å; S827-T829 VanDerWaalsContact C-N 3.28Å; S827-T829 PolarHBondContact O-N 3.36Å
830	K	47.3	Very low	54.6	Low	179 Å²	179	112 Å²	112	78%	0.778	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.1	46.7	-175.4	-67.3	-173.2	-179.9	176.1	0	114.6	S827 I828	S827-K830 PolarHBondContact O-N 2.84Å; I828-K830 VanDerWaalsContact C-N 3.3Å; I828-K830 PolarHBondContact O-N 2.91Å
831	G	37.6	Very low	52.6	Low	69 Å²	69	117.1 Å²	117.1	71%	0.711	66%	0.663	S	S	*	*			trans	-172.1	84.4	171.9	0	0	0	0	0	115.5
832	S	33.9	Very low	50.6	Low	120 Å²	120	116.6 Å²	116.6	84%	0.839	67%	0.672	S	S	*	*			trans	-156.1	68.4	173.9	179.8	0	0	0	0	113.9
833	I	41.8	Very low	48.8	Very low	148 Å²	148	117.1 Å²	117.1	76%	0.759	68%	0.684	S	S	*	*			trans	-139.4	112.6	161.4	-62.1	-176.9	0	0	0	108.9
834	N	39.3	Very low	46.9	Very low	142 Å²	142	115.8 Å²	115.8	76%	0.759	69%	0.688	S	S	*	*			trans	66.5	146	162.1	-57.9	-9.5	0	0	0	118.4
835	T	41.9	Very low	45.2	Very low	117 Å²	117	117.4 Å²	117.4	72%	0.718	70%	0.702	S	S	*	*			cis	-162.6	131.7	-12.3	16.5	0	0	0	0	112.4
836	S	37.3	Very low	43.7	Very low	103 Å²	103	121.1 Å²	121.1	72%	0.72	72%	0.718	S	S	*	*			trans	69.8	146	143.9	87.5	0	0	0	0	122.9
837	T	37.8	Very low	42.6	Very low	120 Å²	120	122.1 Å²	122.1	74%	0.736	73%	0.727	S	S	*	*			trans	71	123	143	-47.9	0	0	0	0	117.9
838	T	42.5	Very low	41.8	Very low	120 Å²	120	124.4 Å²	124.4	74%	0.736	74%	0.738	S	S	*	*			cis	-155.2	142.4	2.2	17.5	0	0	0	0	113.3
839	V	44.8	Very low	41	Very low	125 Å²	125	122.8 Å²	122.8	76%	0.758	74%	0.739	S	S	*	*			trans	-16.5	168.2	146.2	-82.5	0	0	0	0	121
840	P	48.8	Very low	40.5	Very low	98 Å²	98	124 Å²	124	64%	0.636	75%	0.747	S	S	*	*			cis	-147.1	-179.9	-18.3	35	-13.6	0	0	0	117.8
841	K	42.4	Very low	39.8	Very low	185 Å²	185	121.7 Å²	121.7	80%	0.804	75%	0.747	S	S	*	*				131.3	145.1	109.9	-120	168	-158.2	173.4	0	118.3
842	S	42.1	Very low	39.8	Very low	107 Å²	107	124 Å²	124	75%	0.748	75%	0.752	S	S	*	*			trans	74.9	135.6	162	-53.2	0	0	0	0	118.6
843	S	42.4	Very low	39.8	Very low	101 Å²	101	125 Å²	125	71%	0.706	75%	0.749	S	S	*	*			cis	-163.5	130.9	-15.2	-113.8	0	0	0	0	114.3
844	T	39.9	Very low	39.3	Very low	125 Å²	125	128.6 Å²	128.6	77%	0.767	75%	0.753	S	S	*	*			trans	66	154.4	134.4	-42.2	0	0	0	0	121.3
845	V	41.1	Very low	39.2	Very low	130 Å²	130	133 Å²	133	79%	0.788	76%	0.76	S	S	*	*			trans	91.8	118.5	173.8	-174.4	0	0	0	0	114.3
846	I	39.8	Very low	38.8	Very low	149 Å²	149	138.5 Å²	138.5	76%	0.764	77%	0.768	S	S	*	*			cis	-144.3	-102.4	-17.1	-162.5	166.5	0	0	0	113.7
847	T	34.4	Very low	39	Very low	112 Å²	112	139.3 Å²	139.3	69%	0.687	77%	0.774	S	S	*	*			trans	-156.1	168.5	-164.2	55.2	0	0	0	0	110.3
848	T	40.8	Very low	39.1	Very low	122 Å²	122	138 Å²	138	75%	0.748	77%	0.77	S	S	*	*			cis	-143.5	160.5	28.7	48.9	0	0	0	0	115.8
849	S	35	Very low	39.3	Very low	101 Å²	101	137.7 Å²	137.7	71%	0.706	77%	0.769	S	S	*	*			trans	-18.5	157.9	158.4	54.5	0	0	0	0	119.5
850	T	39.1	Very low	39.5	Very low	132 Å²	132	137.2 Å²	137.2	81%	0.81	77%	0.769	S	S	*	*			cis	-150.8	164	42.8	-49.1	0	0	0	0	114.6
851	T	33	Very low	39.5	Very low	129 Å²	129	138.4 Å²	138.4	79%	0.791	78%	0.777	S	S	*	*			trans	-124.6	132.5	-168.6	52.4	0	0	0	0	114.5
852	S	37.4	Very low	39.7	Very low	117 Å²	117	132.4 Å²	132.4	82%	0.818	76%	0.762	S	S	*	*			trans	169	156	151.7	53.8	0	0	0	0	109.6
853	D	33.1	Very low	40.2	Very low	142 Å²	142	131.7 Å²	131.7	76%	0.759	75%	0.754	S	S	*	*			cis	-145.1	177	-22.4	-140.8	-45.1	0	0	0	110.5
854	R	32.8	Very low	40.8	Very low	224 Å²	224	135.3 Å²	135.3	85%	0.845	77%	0.765	S	S	*	*			trans	-79.1	120.9	-179.4	-56.3	172.9	-175.4	173.1	1.8	112
855	Y	37.4	Very low	41.8	Very low	233 Å²	233	134.7 Å²	134.7	91%	0.914	77%	0.767	S	S	*	*			trans	-121.9	120.2	153.2	-88.3	-85.5	0	0	0	112.3
856	R	33.5	Very low	42.5	Very low	234 Å²	234	131.5 Å²	131.5	88%	0.883	75%	0.747	S	S	*	*			trans	-78.7	114.5	176.6	176.1	-179.3	-177	-114.4	7.5	108	S858	R856-S858 VanDerWaalsContact C-N 3.33Å; R856-S858 PolarHBondContact O-N 3.45Å
857	S	40.4	Very low	44	Very low	120 Å²	120	128.4 Å²	128.4	84%	0.839	74%	0.737	S	S	*	*			trans	-68.6	83.4	-177	58.3	0	0	0	0	112.6
858	S	39.3	Very low	45.6	Very low	93 Å²	93	126.3 Å²	126.3	65%	0.65	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-61.8	152.5	150.8	46.2	0	0	0	0	109.6	R856	R856-S858 VanDerWaalsContact C-N 3.33Å; R856-S858 PolarHBondContact O-N 3.45Å
859	P	47.1	Very low	46.9	Very low	112 Å²	112	124.2 Å²	124.2	73%	0.727	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-57.7	154	169.8	27.3	-35.4	0	0	0	110.6
860	P	50	Low	48.6	Very low	116 Å²	116	123 Å²	123	75%	0.753	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-59.6	149.5	177.4	26.2	-34.7	0	0	0	111.1
861	P	48.6	Very low	49.6	Very low	123 Å²	123	118.1 Å²	118.1	80%	0.799	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-61.2	149	171.8	28.6	-34.6	0	0	0	110.2
862	A	46	Very low	51.5	Low	59 Å²	59	118.7 Å²	118.7	49%	0.488	68%	0.681	S	S	.	*	P	Polyproline II helix	trans	-64.1	144.2	169.9	0	0	0	0	0	109.6
863	P	52.1	Low	53.3	Low	91 Å²	91	115.7 Å²	115.7	59%	0.591	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-64.4	138.7	175.1	27.2	-34.1	0	0	0	110.5	S865 V866	P863-S865 PolarHBondContact O-N 2.97Å; P863-V866 HydrophobicContact CG-CG2 4.22Å; P863-V866 PolarHBondContact O-N 3.22Å
864	D	55.9	Low	55.3	Low	177 Å²	177	112.7 Å²	112.7	95%	0.947	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.1	-10.1	-175.3	-68.9	-50.2	0	0	0	114.7	V866	D864-V866 VanDerWaalsContact C-N 3.32Å
865	S	61.4	Low	57.4	Low	113 Å²	113	106.5 Å²	106.5	79%	0.79	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-6.8	173.9	-170.6	0	0	0	0	114.6	P863	P863-S865 PolarHBondContact O-N 2.97Å
866	V	54.4	Low	59.4	Low	62 Å²	62	97.4 Å²	97.4	38%	0.376	61%	0.61	S	S	.	*	S	Bend	trans	-112	115.6	-178.7	-179.6	0	0	0	0	110.3	P863 D864 A868 V870	P863-V866 HydrophobicContact CG-CG2 4.22Å; P863-V866 PolarHBondContact O-N 3.22Å; D864-V866 VanDerWaalsContact C-N 3.32Å; V866-A868 PolarHBondContact O-N 2.89Å; V866-V870 HydrophobicContact CG1-CB 3.96Å; V866-V870 HydrophobicContact CG1-CG1 3.99Å
867	P	73.2	Confident	61.6	Low	84 Å²	84	91 Å²	91	55%	0.545	59%	0.593	S	S	.	*			trans	-56.3	136.8	178.6	-25.7	33.9	0	0	0	112	A869 V870 A871	P867-A869 PolarHBondContact O-N 3.08Å; P867-V870 HydrophobicContact CB-CG2 4.24Å; P867-V870 HydrophobicContact CG-CG2 4.37Å; P867-V870 WeakPolarHBondContact O-CA 3.41Å; P867-V870 WeakPolarHBondContact O-CB 3.39Å; P867-V870 PolarHBondContact O-N 3.05Å; P867-A871 PolarHBondContact O-N 3.45Å
868	A	67.2	Low	63.5	Low	69 Å²	69	91.4 Å²	91.4	57%	0.57	58%	0.583	S	S	*	*	H	α-helix	trans	-54.5	-31.4	-177.4	0	0	0	0	0	113.3	V866 V870 A871 H872	V866-A868 PolarHBondContact O-N 2.89Å; A868-V870 VanDerWaalsContact C-N 3.34Å; A868-V870 PolarHBondContact O-N 2.78Å; A868-A871 PolarHBondContact O-N 2.87Å; A868-H872 WeakPolarHBondContact O-CB 3.49Å; A868-H872 PolarHBondContact O-CD2 2.94Å; A868-H872 PolarHBondContact O-N 3.3Å
869	A	68.5	Low	65.7	Low	78 Å²	78	93.1 Å²	93.1	65%	0.645	58%	0.579	S	S	*	*	H	α-helix	trans	-61.5	-37.7	172.8	0	0	0	0	0	113.3	P867 A873	P867-A869 PolarHBondContact O-N 3.08Å; A869-A873 VanDerWaalsContact O-CB 3.22Å; A869-A873 WeakPolarHBondContact O-CB 2.8Å; A869-A873 PolarHBondContact O-N 3.31Å
870	V	69.4	Low	67.4	Low	74 Å²	74	95 Å²	95	45%	0.448	57%	0.571	S	S	.	*	H	α-helix	trans	-70.9	-44.7	175.8	179.6	0	0	0	0	110.2	V866 P867 A868 H872 A873 V874	V866-V870 HydrophobicContact CG1-CB 3.96Å; V866-V870 HydrophobicContact CG1-CG1 3.99Å; P867-V870 HydrophobicContact CB-CG2 4.24Å; P867-V870 HydrophobicContact CG-CG2 4.37Å; P867-V870 WeakPolarHBondContact O-CA 3.41Å; P867-V870 WeakPolarHBondContact O-CB 3.39Å; P867-V870 PolarHBondContact O-N 3.05Å; A868-V870 VanDerWaalsContact C-N 3.34Å; A868-V870 PolarHBondContact O-N 2.78Å; V870-H872 PolarHBondContact O-N 3.1Å; V870-A873 PolarHBondContact O-N 2.86Å; V870-A873 VanDerWaalsContact O-N 3.16Å; V870-V874 WeakPolarHBondContact O-CG2 3.32Å; V870-V874 PolarHBondContact O-N 3.25Å
871	A	61.7	Low	68.8	Low	31 Å²	31	95 Å²	95	26%	0.256	56%	0.557	S	S	.	*	H	α-helix	trans	-59.2	-47	175.1	0	0	0	0	0	111.7	P867 A868 A873 V874 V875	P867-A871 PolarHBondContact O-N 3.45Å; A868-A871 PolarHBondContact O-N 2.87Å; A871-A873 PolarHBondContact O-N 3.15Å; A871-V874 PolarHBondContact O-N 3.27Å; A871-V875 WeakPolarHBondContact O-CG2 3.38Å; A871-V875 PolarHBondContact O-N 3.21Å
872	H	72.8	Confident	70.4	Confident	140 Å²	140	98.9 Å²	98.9	65%	0.648	56%	0.555	S	S	*	*	H	α-helix	trans	-63.1	-38	173.6	-82	-65.9	0	0	0	112.8	A868 V870 A876	A868-H872 WeakPolarHBondContact O-CB 3.49Å; A868-H872 PolarHBondContact O-CD2 2.94Å; A868-H872 PolarHBondContact O-N 3.3Å; V870-H872 PolarHBondContact O-N 3.1Å; H872-A876 WeakPolarHBondContact O-CB 3.38Å; H872-A876 PolarHBondContact O-N 2.77Å
873	A	75.6	Confident	72.1	Confident	54 Å²	54	100.3 Å²	100.3	45%	0.446	55%	0.552	S	S	.	*	H	α-helix	trans	-65	-43.6	176.4	0	0	0	0	0	112.1	A869 V870 A871 A876 N877	A869-A873 VanDerWaalsContact O-CB 3.22Å; A869-A873 WeakPolarHBondContact O-CB 2.8Å; A869-A873 PolarHBondContact O-N 3.31Å; V870-A873 PolarHBondContact O-N 2.86Å; V870-A873 VanDerWaalsContact O-N 3.16Å; A871-A873 PolarHBondContact O-N 3.15Å; A873-A876 PolarHBondContact O-N 2.81Å; A873-N877 VanDerWaalsContact O-CB 3.31Å; A873-N877 WeakPolarHBondContact O-CB 3.48Å; A873-N877 PolarHBondContact O-N 2.63Å
874	V	74.4	Confident	73.6	Confident	80 Å²	80	98.5 Å²	98.5	49%	0.485	55%	0.545	S	S	.	.	H	α-helix	trans	-62.4	-49	175.4	171.6	0	0	0	0	110.6	V870 A871 A876 N877 M878	V870-V874 WeakPolarHBondContact O-CG2 3.32Å; V870-V874 PolarHBondContact O-N 3.25Å; A871-V874 PolarHBondContact O-N 3.27Å; V874-A876 VanDerWaalsContact C-N 3.35Å; V874-A876 PolarHBondContact O-N 2.71Å; V874-N877 PolarHBondContact O-N 2.69Å; V874-N877 VanDerWaalsContact O-N 3.1Å; V874-M878 PolarHBondContact O-N 3.47Å
875	V	77.4	Confident	74.8	Confident	93 Å²	93	93.4 Å²	93.4	56%	0.564	52%	0.517	S	S	*	.	H	α-helix	trans	-61.6	-41.2	177	171.8	0	0	0	0	111.6	A871 N877 M878 K879	A871-V875 WeakPolarHBondContact O-CG2 3.38Å; A871-V875 PolarHBondContact O-N 3.21Å; V875-N877 VanDerWaalsContact C-N 3.3Å; V875-N877 PolarHBondContact O-N 3.49Å; V875-M878 PolarHBondContact O-N 3.29Å; V875-K879 WeakPolarHBondContact O-CB 3.3Å; V875-K879 PolarHBondContact O-N 3.48Å
876	A	79.2	Confident	75.8	Confident	43 Å²	43	93.5 Å²	93.5	36%	0.355	51%	0.505	S	S	.	.	H	α-helix	trans	-69.9	-24.3	175.8	0	0	0	0	0	113.3	H872 A873 V874 R880	H872-A876 WeakPolarHBondContact O-CB 3.38Å; H872-A876 PolarHBondContact O-N 2.77Å; A873-A876 PolarHBondContact O-N 2.81Å; V874-A876 VanDerWaalsContact C-N 3.35Å; V874-A876 PolarHBondContact O-N 2.71Å; A876-R880 WeakPolarHBondContact O-CB 3.42Å; A876-R880 WeakPolarHBondContact O-CG 3.38Å; A876-R880 PolarHBondContact O-N 3.34Å; A876-R880 VanDerWaalsContact O-N 3.14Å; A876-R880 PolarHBondContact O-NE 3.04Å; A876-R880 VanDerWaalsContact O-NE 3.08Å
877	N	79.9	Confident	77.1	Confident	99 Å²	99	96 Å²	96	53%	0.529	52%	0.515	S	S	.	.	H	α-helix	trans	-80.3	-43	173.7	-155.7	19.7	0	0	0	111.1	A873 V874 V875 K879 R880 R881	A873-N877 VanDerWaalsContact O-CB 3.31Å; A873-N877 WeakPolarHBondContact O-CB 3.48Å; A873-N877 PolarHBondContact O-N 2.63Å; V874-N877 PolarHBondContact O-N 2.69Å; V874-N877 VanDerWaalsContact O-N 3.1Å; V875-N877 VanDerWaalsContact C-N 3.3Å; V875-N877 PolarHBondContact O-N 3.49Å; N877-K879 VanDerWaalsContact C-N 3.32Å; N877-K879 PolarHBondContact O-N 2.95Å; N877-R880 PolarHBondContact O-N 2.88Å; N877-R881 WeakPolarHBondContact O-CB 3.39Å; N877-R881 PolarHBondContact O-N 3.15Å
878	M	79.1	Confident	77.2	Confident	128 Å²	128	95.9 Å²	95.9	63%	0.631	51%	0.507	S	S	*	.	H	α-helix	trans	-59.6	-41.9	170.6	-72	-169.5	78.5	0	0	111.9	V874 V875 R881 R882	V874-M878 PolarHBondContact O-N 3.47Å; V875-M878 PolarHBondContact O-N 3.29Å; M878-R881 PolarHBondContact O-N 2.82Å; M878-R882 PolarHBondContact O-N 2.97Å
879	K	86.4	Confident	77.6	Confident	129 Å²	129	96.4 Å²	96.4	56%	0.561	50%	0.5	S	S	*	.	H	α-helix	trans	-62.3	-50.2	175.3	-178.3	171.1	171	176.8	0	111.4	V875 N877 R881 R882 E883	V875-K879 WeakPolarHBondContact O-CB 3.3Å; V875-K879 PolarHBondContact O-N 3.48Å; N877-K879 VanDerWaalsContact C-N 3.32Å; N877-K879 PolarHBondContact O-N 2.95Å; K879-R881 VanDerWaalsContact C-N 3.28Å; K879-R881 PolarHBondContact O-N 3.09Å; K879-R882 PolarHBondContact O-N 3.11Å; K879-E883 WeakPolarHBondContact CE-OE1 3.24Å; K879-E883 HydrophobicContact CG-CG 4.47Å; K879-E883 IonicContact NZ-OE1 2.69Å; K879-E883 WeakPolarHBondContact O-CG 3.41Å; K879-E883 PolarHBondContact O-N 3.3Å
880	R	82	Confident	78.2	Confident	151 Å²	151	98.5 Å²	98.5	57%	0.57	50%	0.495	S	S	*	.	H	α-helix	trans	-58.6	-36.5	174.2	-81.9	-180	-71.3	164.6	-3.1	112.9	A876 N877 E883 A884	A876-R880 WeakPolarHBondContact O-CB 3.42Å; A876-R880 WeakPolarHBondContact O-CG 3.38Å; A876-R880 PolarHBondContact O-N 3.34Å; A876-R880 VanDerWaalsContact O-N 3.14Å; A876-R880 PolarHBondContact O-NE 3.04Å; A876-R880 VanDerWaalsContact O-NE 3.08Å; N877-R880 PolarHBondContact O-N 2.88Å; R880-E883 PolarHBondContact O-N 2.72Å; R880-A884 WeakPolarHBondContact O-CB 3.47Å; R880-A884 PolarHBondContact O-N 3.4Å
881	R	79.3	Confident	78.5	Confident	118 Å²	118	96.8 Å²	96.8	45%	0.445	49%	0.488	S	S	.	.	H	α-helix	trans	-69.7	-39.3	176.2	-169.8	169.7	177.2	163.9	-3.6	112.1	N877 M878 K879 A884 L885	N877-R881 WeakPolarHBondContact O-CB 3.39Å; N877-R881 PolarHBondContact O-N 3.15Å; M878-R881 PolarHBondContact O-N 2.82Å; K879-R881 VanDerWaalsContact C-N 3.28Å; K879-R881 PolarHBondContact O-N 3.09Å; R881-A884 PolarHBondContact O-N 2.93Å; R881-L885 HydrophobicContact CG-CD1 4.29Å; R881-L885 WeakPolarHBondContact O-CB 3.34Å; R881-L885 VanDerWaalsContact O-CG 3.29Å; R881-L885 WeakPolarHBondContact O-CG 3.5Å; R881-L885 PolarHBondContact O-N 3.37Å
882	R	82.5	Confident	78.9	Confident	204 Å²	204	101.5 Å²	101.5	77%	0.77	50%	0.5	S	S	*	.	H	α-helix	trans	-64.4	-44.6	170.7	-93.4	-174.3	171.3	166.7	-2	112.1	M878 K879 L885 E886	M878-R882 PolarHBondContact O-N 2.97Å; K879-R882 PolarHBondContact O-N 3.11Å; R882-L885 PolarHBondContact O-N 3.28Å; R882-E886 PolarHBondContact O-N 3.16Å
883	E	82.7	Confident	78.8	Confident	88 Å²	88	102.5 Å²	102.5	41%	0.411	50%	0.502	S	S	.	.	H	α-helix	trans	-63.3	-41.6	176.2	-72	169.7	168.7	0	0	111.4	K879 R880 E886 I887	K879-E883 WeakPolarHBondContact CE-OE1 3.24Å; K879-E883 HydrophobicContact CG-CG 4.47Å; K879-E883 IonicContact NZ-OE1 2.69Å; K879-E883 WeakPolarHBondContact O-CG 3.41Å; K879-E883 PolarHBondContact O-N 3.3Å; R880-E883 PolarHBondContact O-N 2.72Å; E883-E886 PolarHBondContact O-N 3.47Å; E883-I887 WeakPolarHBondContact O-CB 3.41Å; E883-I887 WeakPolarHBondContact O-CD1 3.43Å; E883-I887 WeakPolarHBondContact O-CG1 3.37Å; E883-I887 PolarHBondContact O-N 3.44Å
884	A	83.6	Confident	78.4	Confident	54 Å²	54	109.5 Å²	109.5	45%	0.446	52%	0.517	S	S	.	.	H	α-helix	trans	-63.7	-42.8	174	0	0	0	0	0	112.4	R880 R881 I887 E888	R880-A884 WeakPolarHBondContact O-CB 3.47Å; R880-A884 PolarHBondContact O-N 3.4Å; R881-A884 PolarHBondContact O-N 2.93Å; A884-I887 PolarHBondContact O-N 2.71Å; A884-E888 WeakPolarHBondContact O-CB 3.48Å; A884-E888 PolarHBondContact O-N 3.1Å
885	L	81.1	Confident	77.6	Confident	69 Å²	69	115.1 Å²	115.1	36%	0.361	53%	0.529	S	S	.	.	H	α-helix	trans	-69.6	-32.4	175.4	-74	169.2	0	0	0	112.7	R881 R882 N889	R881-L885 HydrophobicContact CG-CD1 4.29Å; R881-L885 WeakPolarHBondContact O-CB 3.34Å; R881-L885 VanDerWaalsContact O-CG 3.29Å; R881-L885 WeakPolarHBondContact O-CG 3.5Å; R881-L885 PolarHBondContact O-N 3.37Å; R882-L885 PolarHBondContact O-N 3.28Å; L885-N889 VanDerWaalsContact O-CB 3.3Å; L885-N889 WeakPolarHBondContact O-CB 3.32Å; L885-N889 PolarHBondContact O-N 2.84Å; L885-N889 PolarHBondContact O-ND2 2.98Å
886	E	81.4	Confident	76.5	Confident	116 Å²	116	118.3 Å²	118.3	54%	0.542	54%	0.538	S	S	.	.	H	α-helix	trans	-68.9	-45.5	171.2	-162.2	-157.7	131.7	0	0	110.2	R882 E883 E888 N889 K890	R882-E886 PolarHBondContact O-N 3.16Å; E883-E886 PolarHBondContact O-N 3.47Å; E886-E888 VanDerWaalsContact C-N 3.3Å; E886-E888 PolarHBondContact O-N 2.86Å; E886-N889 PolarHBondContact O-N 3.4Å; E886-K890 WeakPolarHBondContact O-CB 3.31Å; E886-K890 PolarHBondContact O-N 2.69Å; E886-K890 IonicContact OE1-NZ 3.64Å; E886-K890 PolarHBondContact OE1-NZ 2.84Å
887	I	81.4	Confident	75.1	Confident	115 Å²	115	126.8 Å²	126.8	59%	0.59	56%	0.561	S	S	*	*	H	α-helix	trans	-58.7	-42.8	174.2	-71.4	164.2	0	0	0	110.5	E883 A884 K890 A891	E883-I887 WeakPolarHBondContact O-CB 3.41Å; E883-I887 WeakPolarHBondContact O-CD1 3.43Å; E883-I887 WeakPolarHBondContact O-CG1 3.37Å; E883-I887 PolarHBondContact O-N 3.44Å; A884-I887 PolarHBondContact O-N 2.71Å; I887-K890 CarbonylContact O-C 3.47Å; I887-K890 PolarHBondContact O-N 2.89Å; I887-A891 WeakPolarHBondContact O-CB 3.44Å; I887-A891 PolarHBondContact O-N 3.09Å
888	E	76.6	Confident	73.6	Confident	81 Å²	81	126 Å²	126	38%	0.379	56%	0.563	S	S	.	*	H	α-helix	trans	-67.2	-45.1	177.7	-157.3	-156.1	148.3	0	0	111.2	A884 E886 K890 A891 R892	A884-E888 WeakPolarHBondContact O-CB 3.48Å; A884-E888 PolarHBondContact O-N 3.1Å; E886-E888 VanDerWaalsContact C-N 3.3Å; E886-E888 PolarHBondContact O-N 2.86Å; E888-K890 VanDerWaalsContact C-N 3.3Å; E888-K890 PolarHBondContact O-N 2.86Å; E888-A891 CarbonylContact O-C 3.55Å; E888-A891 WeakPolarHBondContact O-CA 3.4Å; E888-A891 WeakPolarHBondContact O-CB 3.36Å; E888-A891 PolarHBondContact O-N 3.42Å; E888-A891 VanDerWaalsContact O-N 3.12Å; E888-R892 WeakPolarHBondContact O-CB 3.27Å; E888-R892 WeakPolarHBondContact O-CG 3.18Å; E888-R892 PolarHBondContact O-N 3.45Å; E888-R892 IonicContact OE1-CZ 3.12Å; E888-R892 IonicContact OE1-NE 3.71Å; E888-R892 PolarHBondContact OE1-NE 3.21Å; E888-R892 IonicContact OE1-NH2 2.71Å; E888-R892 PolarHBondContact OE1-NH2 2.84Å
889	N	75.2	Confident	72.1	Confident	80 Å²	80	125.4 Å²	125.4	43%	0.428	57%	0.569	S	S	.	*	H	α-helix	trans	-65.4	-33.1	175.7	-81.5	-61.1	0	0	0	112.7	L885 E886 K893	L885-N889 VanDerWaalsContact O-CB 3.3Å; L885-N889 WeakPolarHBondContact O-CB 3.32Å; L885-N889 PolarHBondContact O-N 2.84Å; L885-N889 PolarHBondContact O-ND2 2.98Å; E886-N889 PolarHBondContact O-N 3.4Å; N889-K893 VanDerWaalsContact O-CB 3.31Å; N889-K893 WeakPolarHBondContact O-CB 3.31Å; N889-K893 VanDerWaalsContact O-CG 3.27Å; N889-K893 WeakPolarHBondContact O-CG 3.46Å; N889-K893 PolarHBondContact O-N 2.61Å
890	K	81.7	Confident	70	Confident	121 Å²	121	124.2 Å²	124.2	53%	0.526	57%	0.574	S	S	.	*	H	α-helix	trans	-73	-30.4	173.6	-159.3	173.3	-146.6	151.3	0	111.1	E886 I887 E888 R894	E886-K890 WeakPolarHBondContact O-CB 3.31Å; E886-K890 PolarHBondContact O-N 2.69Å; E886-K890 IonicContact OE1-NZ 3.64Å; E886-K890 PolarHBondContact OE1-NZ 2.84Å; I887-K890 CarbonylContact O-C 3.47Å; I887-K890 PolarHBondContact O-N 2.89Å; E888-K890 VanDerWaalsContact C-N 3.3Å; E888-K890 PolarHBondContact O-N 2.86Å; K890-R894 WeakPolarHBondContact O-CB 3.26Å; K890-R894 WeakPolarHBondContact O-CG 3.22Å; K890-R894 PolarHBondContact O-N 2.88Å
891	A	75.2	Confident	68.1	Low	38 Å²	38	121.9 Å²	121.9	31%	0.314	59%	0.587	S	S	.	*	H	α-helix	trans	-75.1	-39.8	170.6	0	0	0	0	0	112.2	I887 E888 R894 R895	I887-A891 WeakPolarHBondContact O-CB 3.44Å; I887-A891 PolarHBondContact O-N 3.09Å; E888-A891 CarbonylContact O-C 3.55Å; E888-A891 WeakPolarHBondContact O-CA 3.4Å; E888-A891 WeakPolarHBondContact O-CB 3.36Å; E888-A891 PolarHBondContact O-N 3.42Å; E888-A891 VanDerWaalsContact O-N 3.12Å; A891-R894 CarbonylContact O-C 3.38Å; A891-R894 WeakPolarHBondContact O-CA 3.46Å; A891-R894 WeakPolarHBondContact O-CB 3.48Å; A891-R894 PolarHBondContact O-N 3.39Å; A891-R894 VanDerWaalsContact O-N 3.15Å; A891-R895 WeakPolarHBondContact O-CB 3.35Å; A891-R895 WeakPolarHBondContact O-CG 3.39Å; A891-R895 PolarHBondContact O-N 3.16Å
892	R	70.2	Confident	66.3	Low	130 Å²	130	120 Å²	120	49%	0.491	60%	0.597	S	S	.	*	H	α-helix	trans	-61.2	-50.1	170.2	-71.2	178.7	-176.1	-149.6	5.8	109.9	E888 R894 R895 H896	E888-R892 WeakPolarHBondContact O-CB 3.27Å; E888-R892 WeakPolarHBondContact O-CG 3.18Å; E888-R892 PolarHBondContact O-N 3.45Å; E888-R892 IonicContact OE1-CZ 3.12Å; E888-R892 IonicContact OE1-NE 3.71Å; E888-R892 PolarHBondContact OE1-NE 3.21Å; E888-R892 IonicContact OE1-NH2 2.71Å; E888-R892 PolarHBondContact OE1-NH2 2.84Å; R892-R894 PolarHBondContact O-N 2.92Å; R892-R894 VanDerWaalsContact O-N 3.15Å; R892-R895 PolarHBondContact O-N 3.27Å; R892-H896 PolarHBondContact O-CD2 2.87Å; R892-H896 PolarHBondContact O-N 3.47Å
893	K	70.1	Confident	64.4	Low	161 Å²	161	120.9 Å²	120.9	70%	0.7	60%	0.602	S	S	*	*	H	α-helix	trans	-60.8	-20.9	172.8	-73.4	175.2	179.1	179.9	0	114	N889	N889-K893 VanDerWaalsContact O-CB 3.31Å; N889-K893 WeakPolarHBondContact O-CB 3.31Å; N889-K893 VanDerWaalsContact O-CG 3.27Å; N889-K893 WeakPolarHBondContact O-CG 3.46Å; N889-K893 PolarHBondContact O-N 2.61Å
894	R	66.5	Low	62.4	Low	202 Å²	202	120.9 Å²	120.9	76%	0.762	62%	0.617	S	S	*	*	H	α-helix	trans	-85.5	-38.4	168.6	-83.4	177.2	157.2	-166.1	-7.1	113.3	K890 A891 R892 R897	K890-R894 WeakPolarHBondContact O-CB 3.26Å; K890-R894 WeakPolarHBondContact O-CG 3.22Å; K890-R894 PolarHBondContact O-N 2.88Å; A891-R894 CarbonylContact O-C 3.38Å; A891-R894 WeakPolarHBondContact O-CA 3.46Å; A891-R894 WeakPolarHBondContact O-CB 3.48Å; A891-R894 PolarHBondContact O-N 3.39Å; A891-R894 VanDerWaalsContact O-N 3.15Å; R892-R894 PolarHBondContact O-N 2.92Å; R892-R894 VanDerWaalsContact O-N 3.15Å; R894-R897 WeakPolarHBondContact O-CB 3.15Å; R894-R897 PolarHBondContact O-N 3.47Å; R894-R897 VanDerWaalsContact O-N 3.09Å
895	R	58.7	Low	60.4	Low	197 Å²	197	128.3 Å²	128.3	74%	0.743	64%	0.64	S	S	*	*	H	α-helix	trans	-65.8	-39.8	175.2	-74.9	178.9	-179.9	-162.2	1.5	111.3	A891 R892 R897 S898	A891-R895 WeakPolarHBondContact O-CB 3.35Å; A891-R895 WeakPolarHBondContact O-CG 3.39Å; A891-R895 PolarHBondContact O-N 3.16Å; R892-R895 PolarHBondContact O-N 3.27Å; R895-R897 PolarHBondContact O-N 2.88Å; R895-S898 WeakPolarHBondContact O-CB 3.22Å; R895-S898 PolarHBondContact O-N 2.83Å; R895-S898 VanDerWaalsContact O-N 3.09Å; R895-S898 PolarHBondContact O-OG 3.2Å
896	H	53.8	Low	58.4	Low	161 Å²	161	130.5 Å²	130.5	75%	0.745	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	9.1	171.2	-59.6	-65.9	0	0	0	113.9	R892	R892-H896 PolarHBondContact O-CD2 2.87Å; R892-H896 PolarHBondContact O-N 3.47Å
897	R	50.3	Low	56.3	Low	221 Å²	221	134.4 Å²	134.4	83%	0.834	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	10.5	161.2	-89.2	-173.3	171.6	-164.1	-1.5	112.6	R894 R895	R894-R897 WeakPolarHBondContact O-CB 3.15Å; R894-R897 PolarHBondContact O-N 3.47Å; R894-R897 VanDerWaalsContact O-N 3.09Å; R895-R897 PolarHBondContact O-N 2.88Å
898	S	48.3	Very low	54.1	Low	83 Å²	83	135.3 Å²	135.3	58%	0.58	67%	0.672	S	S	*	*	S	Bend	trans	-67.8	143.7	163.5	60.7	0	0	0	0	110.2	R895	R895-S898 WeakPolarHBondContact O-CB 3.22Å; R895-S898 PolarHBondContact O-N 2.83Å; R895-S898 VanDerWaalsContact O-N 3.09Å; R895-S898 PolarHBondContact O-OG 3.2Å
899	P	47.4	Very low	52	Low	115 Å²	115	141.8 Å²	141.8	75%	0.747	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-61.6	153.6	174	-24.2	35	0	0	0	112.2	A901	P899-A901 PolarHBondContact O-N 3.38Å
900	P	41.8	Very low	50.3	Low	103 Å²	103	145.7 Å²	145.7	67%	0.669	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-59.5	134.4	-178.2	-23.3	33.7	0	0	0	112.7	A902	P900-A902 HydrophobicContact CB-CB 4.47Å; P900-A902 PolarHBondContact O-N 3.03Å
901	A	43.4	Very low	48.1	Very low	102 Å²	102	143.9 Å²	143.9	84%	0.843	72%	0.715	S	S	*	*	S	Bend	trans	-71.2	26.5	178.7	0	0	0	0	0	114.6	P899 Y903	P899-A901 PolarHBondContact O-N 3.38Å; A901-Y903 VanDerWaalsContact C-N 3.31Å; A901-Y903 PolarHBondContact O-N 2.79Å
902	A	41.5	Very low	46.3	Very low	80 Å²	80	148.2 Å²	148.2	66%	0.661	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	6.8	-172.9	0	0	0	0	0	114.6	P900	P900-A902 HydrophobicContact CB-CB 4.47Å; P900-A902 PolarHBondContact O-N 3.03Å
903	Y	41.7	Very low	44.7	Very low	221 Å²	221	147.6 Å²	147.6	87%	0.867	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.4	34.5	-173.9	-81.8	-77.7	0	0	0	113.8	A901	A901-Y903 VanDerWaalsContact C-N 3.31Å; A901-Y903 PolarHBondContact O-N 2.79Å
904	A	41.1	Very low	43.2	Very low	88 Å²	88	145.1 Å²	145.1	73%	0.727	73%	0.733	S	S	*	*			trans	-109.7	26.5	-177.5	0	0	0	0	0	115.1
905	F	41.2	Very low	42	Very low	210 Å²	210	139.8 Å²	139.8	92%	0.921	73%	0.725	S	S	*	*			trans	-124.5	78.9	174.2	-91.1	-71	0	0	0	112.3
906	T	39.5	Very low	40.9	Very low	115 Å²	115	137.1 Å²	137.1	71%	0.706	72%	0.715	S	S	*	*			trans	-139.7	115.3	167.5	50.2	0	0	0	0	114.3
907	R	37.2	Very low	40.1	Very low	199 Å²	199	138.2 Å²	138.2	75%	0.751	71%	0.712	S	S	*	*			trans	45	114.3	137.6	-63.1	-179.3	174.8	114.2	5.4	119.1
908	N	34.3	Very low	39.8	Very low	134 Å²	134	132.9 Å²	132.9	72%	0.717	71%	0.709	S	S	*	*				78.9	123.7	70.6	-93.6	-53.1	0	0	0	116.6
909	R	32.3	Very low	39.4	Very low	216 Å²	216	134.8 Å²	134.8	82%	0.815	72%	0.719	S	S	*	*			trans	63.9	113.2	142.5	-61.5	173.3	-177.5	-171.5	-2.2	120.4
910	I	39.8	Very low	39.3	Very low	162 Å²	162	135.3 Å²	135.3	83%	0.831	72%	0.72	S	S	*	*				-151.1	125	125	-84.4	126.3	0	0	0	104.6
911	S	35.6	Very low	39.3	Very low	84 Å²	84	136.1 Å²	136.1	59%	0.587	73%	0.726	S	S	*	*			cis	97.2	91.4	19.3	87.2	0	0	0	0	116.1
912	D	38.1	Very low	38.8	Very low	129 Å²	129	141.9 Å²	141.9	69%	0.69	73%	0.726	S	S	*	*			trans	-163.7	168.2	149.6	-99.4	-31	0	0	0	110.1	R603	R603-D912 WeakPolarHBondContact CD-OD1 3.38Å; R603-D912 IonicContact CZ-OD1 3.73Å; R603-D912 IonicContact NE-OD1 3.68Å; R603-D912 IonicContact NH2-OD1 3.8Å; R603-D912 PolarHBondContact NH2-OD1 3.32Å
913	R	35.7	Very low	38.2	Very low	116 Å²	116	142.9 Å²	142.9	44%	0.438	73%	0.726	S	S	.	*				-167	110.4	-59.4	-178.3	-165.6	-147.9	-158	14.3	107.4	R603 P604	R603-R913 VanDerWaalsContact CB-NH1 3.26Å; P604-R913 VanDerWaalsContact C-NH1 3.29Å; P604-R913 PolarHBondContact O-NH1 3.2Å
914	S	40	Very low	37.8	Very low	109 Å²	109	139.1 Å²	139.1	76%	0.762	72%	0.721	S	S	*	*			trans	-62.6	148.9	173	-178.4	0	0	0	0	111.6	R916	S914-R916 PolarHBondContact OG-N 3.47Å
915	P	41	Very low	37.3	Very low	90 Å²	90	138.9 Å²	138.9	58%	0.584	71%	0.714	S	S	*	*				-143.3	114.7	123.6	34.5	-18.3	0	0	0	116.5
916	R	35.1	Very low	37	Very low	141 Å²	141	138 Å²	138	53%	0.532	71%	0.706	S	S	.	*				74	153.7	124.6	-59.5	169.3	153.3	-70	1.1	121.5	T606 S607 K608 S914	T606-R916 WeakPolarHBondContact O-CD 3.44Å; S607-R916 WeakPolarHBondContact O-CD 3.4Å; S607-R916 PolarHBondContact O-NH1 2.87Å; K608-R916 PolarHBondContact O-NH1 3.06Å; S914-R916 PolarHBondContact OG-N 3.47Å
917	R	37.3	Very low	36.8	Very low	185 Å²	185	137.6 Å²	137.6	70%	0.698	70%	0.7	S	S	*	*			trans	78.6	105.2	164.1	-64.4	-176.5	179.8	-129.4	9.5	118.2	S607	S607-R917 PolarHBondContact O-NE 3.02Å; S607-R917 PolarHBondContact OG-NH2 3.41Å
918	S	43.3	Very low	36.9	Very low	109 Å²	109	137.4 Å²	137.4	76%	0.762	70%	0.699	S	S	*	*			trans	-73	170.7	148.2	51.7	0	0	0	0	111.4
919	P	40.5	Very low	37.3	Very low	122 Å²	122	138 Å²	138	79%	0.792	70%	0.697	S	S	*	*				-139.6	157.1	104.3	38.6	-27.8	0	0	0	115
920	T	45.9	Very low	37.8	Very low	126 Å²	126	134.7 Å²	134.7	77%	0.773	70%	0.696	S	S	*	*			trans	-92.1	146.5	165.4	53	0	0	0	0	111.1
921	P	41.5	Very low	38.3	Very low	120 Å²	120	130.4 Å²	130.4	78%	0.779	68%	0.679	S	S	*	*				-120.3	152.7	109.1	-2.2	23.2	0	0	0	110.6
922	R	31.1	Very low	38.4	Very low	224 Å²	224	136.6 Å²	136.6	85%	0.845	69%	0.689	S	S	*	*			cis	71.8	112	49.3	-85.3	-164.1	177.6	-153.2	0.9	115.7
923	C	30.6	Very low	38.8	Very low	100 Å²	100	136 Å²	136	68%	0.676	69%	0.686	S	S	*	*			trans	73.6	160.8	134.2	-61.6	0	0	0	0	120.5
924	D	33.3	Very low	39.3	Very low	143 Å²	143	140 Å²	140	77%	0.765	70%	0.701	S	S	*	*			trans	67.9	115.5	169.2	-50.1	-27.9	0	0	0	115.8
925	S	30.3	Very low	39.6	Very low	82 Å²	82	140.6 Å²	140.6	57%	0.573	70%	0.696	S	S	*	*			cis	101	152.8	39.8	-177.6	0	0	0	0	111
926	Y	34.8	Very low	40	Very low	191 Å²	191	142.2 Å²	142.2	75%	0.749	70%	0.7	S	S	*	*			trans	72	142.1	177.3	-40	-71.3	0	0	0	113.5
927	D	36.1	Very low	40.7	Very low	107 Å²	107	142 Å²	142	57%	0.572	70%	0.704	S	S	*	*			cis	-167	161.5	-7	-126.3	10.9	0	0	0	110.2
928	R	38.7	Very low	41.1	Very low	196 Å²	196	141.2 Å²	141.2	74%	0.74	71%	0.708	S	S	*	*			trans	68.4	147.9	138.8	-73.6	178.5	141.3	107.4	-0.6	122.3
929	E	41.6	Very low	41.1	Very low	145 Å²	145	140.2 Å²	140.2	68%	0.678	70%	0.701	S	S	*	*			cis	-138.3	142.6	-21.5	-58.3	-148.3	154.6	0	0	106.3
930	D	42.7	Very low	41.4	Very low	148 Å²	148	139 Å²	139	79%	0.791	69%	0.692	S	S	*	*				64.2	156.7	81.7	-135	35.7	0	0	0	113.9
931	P	50.6	Low	41.3	Very low	72 Å²	72	142.1 Å²	142.1	47%	0.468	70%	0.695	S	S	.	*			cis	-144	166.6	7.6	45.2	-27.2	0	0	0	119.4
932	R	37.2	Very low	41.4	Very low	214 Å²	214	141.5 Å²	141.5	81%	0.808	69%	0.693	S	S	*	*			trans	76.1	148.5	164.9	-60.6	164.4	-61.4	-161.3	2.4	116.4
933	D	46.5	Very low	41.8	Very low	116 Å²	116	140.2 Å²	140.2	62%	0.62	69%	0.693	S	S	*	*			cis	-151.4	139.3	35.7	-143.6	23	0	0	0	113.3
934	R	46.3	Very low	42.3	Very low	200 Å²	200	144.9 Å²	144.9	76%	0.755	70%	0.702	S	S	*	*			trans	59	152.7	154.6	-51.3	-168.7	-162.6	-146.1	-0.5	122.3
935	D	47	Very low	42.8	Very low	121 Å²	121	145.6 Å²	145.6	65%	0.647	70%	0.699	S	S	*	*			cis	-161.5	165.1	-25.9	-98.6	-29.3	0	0	0	108.9
936	D	50	Low	43.5	Very low	125 Å²	125	148.8 Å²	148.8	67%	0.668	70%	0.704	S	S	*	*			trans	67.4	109.7	150.5	-71.9	-22.3	0	0	0	124.2
937	H	49.8	Very low	43.9	Very low	135 Å²	135	147.7 Å²	147.7	63%	0.625	70%	0.703	S	S	*	*				99.8	112.7	118.6	-76.5	27.2	0	0	0	121
938	H	46.1	Very low	44.2	Very low	170 Å²	170	151.2 Å²	151.2	79%	0.787	71%	0.713	S	S	*	*			trans	72.8	148.5	137.3	-61.6	-23.1	0	0	0	119.1
939	S	41.9	Very low	44.5	Very low	88 Å²	88	145.9 Å²	145.9	62%	0.615	71%	0.706	S	S	*	*			cis	-165.2	143.7	-12.8	171.6	0	0	0	0	112.3
940	T	47.7	Very low	44.5	Very low	96 Å²	96	147.3 Å²	147.3	59%	0.589	71%	0.713	S	S	*	*			trans	64.8	122.6	148.8	47.1	0	0	0	0	124.1
941	K	44	Very low	44.7	Very low	192 Å²	192	154 Å²	154	84%	0.835	73%	0.729	S	S	*	*				69	148.3	119.9	-66.1	168.9	-172.3	156.8	0	120.1
942	S	42.2	Very low	44.4	Very low	107 Å²	107	158.2 Å²	158.2	75%	0.748	74%	0.742	S	S	*	*			cis	-161.6	148.1	-7.2	47.5	0	0	0	0	115.5
943	K	39.5	Very low	44.8	Very low	196 Å²	196	155.2 Å²	155.2	85%	0.852	74%	0.739	S	S	*	*			trans	-42.7	143.8	161	-58.8	165	176	173.6	0	115.6
944	K	42.8	Very low	44.7	Very low	198 Å²	198	157.4 Å²	157.4	86%	0.861	75%	0.745	S	S	*	*			trans	-175.3	152.3	140.4	-99.2	158.5	-178.3	178.2	0	107.1
945	K	43.3	Very low	44.6	Very low	159 Å²	159	154.9 Å²	154.9	69%	0.691	75%	0.745	S	S	*	*			cis	154.9	144	-18.3	-116	-169.5	168.2	-159.8	0	104.4
946	H	43.9	Very low	44.4	Very low	148 Å²	148	157 Å²	157	69%	0.685	75%	0.751	S	S	*	*			trans	69.8	158.5	155.4	-69.5	-29.6	0	0	0	117.9
947	K	43.2	Very low	44.1	Very low	168 Å²	168	159.1 Å²	159.1	73%	0.73	76%	0.756	S	S	*	*			cis	-179.1	141.2	-20	174.6	-176.8	-175.5	-177.1	0	109.6
948	K	43.6	Very low	43.7	Very low	181 Å²	181	160.9 Å²	160.9	79%	0.787	77%	0.766	S	S	*	*			trans	70.3	134.3	157.8	-98.9	-167	170.5	-163.5	0	120.8
949	S	43.9	Very low	43.5	Very low	85 Å²	85	160.2 Å²	160.2	59%	0.594	76%	0.764	S	S	*	*				79	132.6	123.3	71.6	0	0	0	0	122.5
950	H	42.7	Very low	43.6	Very low	174 Å²	174	166.2 Å²	166.2	81%	0.806	78%	0.776	S	S	*	*			trans	60.3	133.5	163.8	-61.4	-71.8	0	0	0	115.6
951	Y	46.7	Very low	43.2	Very low	290 Å²	290	172.5 Å²	172.5	100%	1.137	79%	0.793	S	S	*	*			cis	-115.9	0	14.2	-142.4	-99.2	0	0	0	112.5

Retrieved 951 of 951 residues in 483.3 ms (Link to these results)

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