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Solute carrier family 12 member 5

Mediates electroneutral potassium-chloride cotransport in mature neurons and is required for neuronal Cl(-) homeostasis. As major extruder of intracellular chloride, it establishes the low neuronal Cl(-) levels required for chloride influx after binding of GABA-A and glycine to their receptors, with subsequent hyperpolarization and neuronal inhibition. Involved in the regulation of dendritic spine formation and maturation.

AlphaFold DB , UniProt , Accession A0A076FSX1, Species MOUSE (Mus musculus, Mouse), Gene Slc12a5, Length 1,115 aa.

						>A0A076FSX1_MOUSE|A0A076FSX1|Slc12a5
MLNNLTDCEDGDGGANPGDGNPKESSPFINSTDTEKGREYDGRNMALFEEEMDTSPMVSSLLSGLANYTNLPQGSREHEEAENNEGGKKKPVQAPRMGTFMGVYLPCLQNIFGVILFLRLTWVVGIAGIMESFCMVFICCSCTMLTAISMSAIATNGVVPAGGSYYMISRSLGPEFGGAVGLCFYLGTTFAGAMYILGTIEILLAYLFPAMAIFKAEDASGEAAAMLNNMRVYGTCVLTCMATVVFVGVKYVNKFALVFLGCVILSILAIYAGVIKSAFDPPNFPICLLGNRTLSRHGFDVCAKLAWEGNETVTTRLWGLFCSSRLLNATCDEYFTRNNVTEIQGIPGAASGLIKENLWSSYLTKGVIVERRGMPSVGLADGTPVDMDHPYVFSDMTSYFTLLVGIYFPSVTGIMAGSNRSGDLRDAQKSIPTGTILAIATTSAVYISSVVLFGACIEGVVLRDKFGEAVNGNLVVGTLAWPSPWVIVIGSFFSTCGAGLQSLTGAPRLLQAISRDGIVPFLQVFGHGKANGEPTWALLLTACICEIGILIASLDEVAPILSMFFLMCYMFVNLACAVQTLLRTPNWRPRFRYYHWTLSFLGMSLCLALMFICSWYYALVAMLIAGLIYKYIEYRGAEKEWGDGIRGLSLSAARYALLRLEEGPPHTKNWRPQLLVLVRVDQDQNVVHPQLLSLTSQLKAGKGLTIVGSVLEGTFLDNHPQAQRAEESIRRLMEAEKVKGFCQVVISSNLRDGVSHLIQSGGLGGLQHNTVLVGWPRNWRQKEDHQTWRNFIELVRETTAGHLALLVTKNVSMFPGNPERFSEGSIDVWWIVHDGGMLMLLPFLLRHHKVWRKCKMRIFTVAQMDDNSIQMKKDLTTFLYHLRITAEVEVVEMHESDISAYTYEKTLVMEQRSQILKQMHLTKNEREREIQSITDESRGSIRRKNPANPRLRLNVPEETACDNEEKPEEEVQLIHDQSAPSCPSSSPSPGEEPEGERETDPEVHLTWTKDKSVAEKNKGPSPVSSEGIKDFFSMKPEWENLNQSNVRRMHTAVRLNEVIVNKSRDAKLVLLNMPGPPRNRNGDENYMEFLEVLTEQLDRVMLVRGGGREVITIYS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.1	Very low	30.2	Very low	232 Å²	232	135 Å²	135	100%	1.143	75%	0.753	S	S	*	*				0	95.5	0	-63.6	175.2	-175.6	0	0	105.4
2	L	28.5	Very low	30.1	Very low	150 Å²	150	138.3 Å²	138.3	79%	0.785	77%	0.768	S	S	*	*				63.5	101.5	108.9	-87.1	98.6	0	0	0	112.3
3	N	32.9	Very low	29.9	Very low	128 Å²	128	132.2 Å²	132.2	68%	0.684	76%	0.756	S	S	*	*				104.3	146.7	82.6	-84.5	20.4	0	0	0	108.5
4	N	29.9	Very low	29.7	Very low	113 Å²	113	128.9 Å²	128.9	60%	0.604	76%	0.764	S	S	*	*			cis	-163.3	154.1	8.1	-115.3	-1.5	0	0	0	111.1
5	L	32.9	Very low	29.5	Very low	138 Å²	138	127.1 Å²	127.1	72%	0.723	77%	0.77	S	S	*	*			trans	46.7	155.9	134.5	-54.9	166.5	0	0	0	121.9
6	T	31.7	Very low	29.4	Very low	100 Å²	100	129.3 Å²	129.3	61%	0.613	78%	0.776	S	S	*	*			cis	-163.5	158.3	-26.3	28.2	0	0	0	0	105.9
7	D	27.9	Very low	29.9	Very low	141 Å²	141	129.2 Å²	129.2	75%	0.754	78%	0.779	S	S	*	*				154.2	154.1	93	-80.8	-67.4	0	0	0	106.5
8	C	28.4	Very low	29.8	Very low	92 Å²	92	126.2 Å²	126.2	62%	0.622	78%	0.779	S	S	*	*			cis	-160	173.1	-26.9	-139.7	0	0	0	0	110.3
9	E	30.8	Very low	29.7	Very low	164 Å²	164	128.9 Å²	128.9	77%	0.766	79%	0.788	S	S	*	*			trans	30.3	147.3	143.8	-70.6	160.5	156.4	0	0	122.8
10	D	27.6	Very low	29.6	Very low	152 Å²	152	126.4 Å²	126.4	81%	0.813	79%	0.789	S	S	*	*			cis	-131.5	159.6	9.8	-74.6	-61.9	0	0	0	110
11	G	28.5	Very low	29.3	Very low	75 Å²	75	128 Å²	128	77%	0.773	79%	0.792	S	S	*	*			cis	90.7	136.3	49.8	0	0	0	0	0	111.1
12	D	28.7	Very low	29.9	Very low	175 Å²	175	121.5 Å²	121.5	94%	0.936	77%	0.767	S	S	*	*			cis	-166.7	164.5	-16.1	-166.4	51	0	0	0	107.1
13	G	27.9	Very low	29.7	Very low	59 Å²	59	122.3 Å²	122.3	61%	0.608	76%	0.764	S	S	*	*			cis	171.6	163.6	-5	0	0	0	0	0	113.2
14	G	26.7	Very low	29.5	Very low	85 Å²	85	123.6 Å²	123.6	88%	0.876	77%	0.766	S	S	*	*			trans	87	156.3	159.6	0	0	0	0	0	119.1
15	A	27.5	Very low	29.3	Very low	102 Å²	102	123.9 Å²	123.9	84%	0.843	78%	0.777	S	S	*	*			cis	-160.3	156.8	-15.2	0	0	0	0	0	111.2
16	N	28	Very low	29.1	Very low	162 Å²	162	122.4 Å²	122.4	87%	0.866	78%	0.778	S	S	*	*			trans	-68.6	174.4	171.8	-95.9	-7.7	0	0	0	112.5
17	P	37.7	Very low	29.3	Very low	128 Å²	128	122.2 Å²	122.2	83%	0.831	78%	0.779	S	S	*	*			cis	-143	-176	20.5	42.7	-23.6	0	0	0	117
18	G	27.6	Very low	29.3	Very low	75 Å²	75	123.9 Å²	123.9	77%	0.773	78%	0.78	S	S	*	*			trans	146.1	125.9	148.7	0	0	0	0	0	118.6
19	D	27.6	Very low	29.4	Very low	178 Å²	178	125.7 Å²	125.7	95%	0.952	78%	0.782	S	S	*	*			trans	-40.3	162.1	176.9	-67.2	-53	0	0	0	120.7
20	G	27.8	Very low	29.1	Very low	78 Å²	78	125.9 Å²	125.9	80%	0.804	79%	0.788	S	S	*	*			trans	139.5	95.6	145.8	0	0	0	0	0	118.3
21	N	24.5	Very low	29	Very low	160 Å²	160	123.2 Å²	123.2	86%	0.856	78%	0.781	S	S	*	*			trans	-85.4	168.6	161.8	-128	8.6	0	0	0	109.5
22	P	44	Very low	28.9	Very low	97 Å²	97	125.8 Å²	125.8	63%	0.63	78%	0.782	S	S	*	*			cis	-136.3	-168.7	-35.3	38.8	-20.4	0	0	0	113.6
23	K	25.6	Very low	28.7	Very low	166 Å²	166	123.8 Å²	123.8	72%	0.722	77%	0.772	S	S	*	*			trans	81.7	125.3	152.9	-77.9	177	164.4	-99.1	0	122.3
24	E	28.7	Very low	28.7	Very low	155 Å²	155	126.8 Å²	126.8	72%	0.724	78%	0.779	S	S	*	*				36.9	111.6	126.7	-55.4	172.2	126.5	0	0	120
25	S	25	Very low	28.7	Very low	120 Å²	120	131.1 Å²	131.1	84%	0.839	78%	0.776	S	S	*	*				175.7	140.1	105.6	60.2	0	0	0	0	113
26	S	29.4	Very low	28.8	Very low	106 Å²	106	136.1 Å²	136.1	74%	0.741	78%	0.778	S	S	*	*			trans	-74	-176	163.2	59.1	0	0	0	0	111.4
27	P	35.5	Very low	28.7	Very low	97 Å²	97	131.8 Å²	131.8	63%	0.63	77%	0.773	S	S	*	*			cis	-131.9	-164.8	-14.8	17.1	10.2	0	0	0	112.6
28	F	27.3	Very low	28.1	Very low	175 Å²	175	137.2 Å²	137.2	77%	0.768	78%	0.776	S	S	*	*			trans	83.3	95.9	159.6	-69.4	-75.2	0	0	0	120.9
29	I	30.6	Very low	28.1	Very low	131 Å²	131	142 Å²	142	67%	0.672	78%	0.778	S	S	*	*				52.7	111	127.9	-56.2	177.7	0	0	0	117.9
30	N	24.5	Very low	28.1	Very low	167 Å²	167	142.9 Å²	142.9	89%	0.893	77%	0.77	S	S	*	*				-144.4	144.7	116.9	-126.4	-15	0	0	0	111
31	S	26.1	Very low	28.1	Very low	96 Å²	96	147 Å²	147	67%	0.671	77%	0.774	S	S	*	*			trans	-141.6	120.1	-161.7	55.9	0	0	0	0	113.8
32	T	25.8	Very low	28.3	Very low	129 Å²	129	142.4 Å²	142.4	79%	0.791	76%	0.764	S	S	*	*			trans	-155.6	128	162.3	46.5	0	0	0	0	104.2
33	D	26.1	Very low	27.8	Very low	133 Å²	133	147.3 Å²	147.3	71%	0.711	77%	0.77	S	S	*	*			cis	-144.8	123.2	30.5	-85.5	-50.4	0	0	0	110
34	T	26.8	Very low	28.2	Very low	123 Å²	123	147 Å²	147	76%	0.755	78%	0.776	S	S	*	*				71.9	134.8	97.2	60	0	0	0	0	117.2
35	E	26.8	Very low	28.1	Very low	176 Å²	176	147.4 Å²	147.4	82%	0.822	78%	0.78	S	S	*	*			trans	73.5	78.2	169.6	-53.3	-152.8	157.6	0	0	121.4
36	K	29.4	Very low	28.4	Very low	206 Å²	206	146.7 Å²	146.7	90%	0.896	78%	0.781	S	S	*	*				-173.8	119	95.6	-95.9	163.3	-172.4	173.5	0	109.8
37	G	25.8	Very low	28.4	Very low	72 Å²	72	147.5 Å²	147.5	74%	0.742	78%	0.777	S	S	*	*			trans	-100.6	157.3	-165	0	0	0	0	0	115.4
38	R	25.7	Very low	28.5	Very low	242 Å²	242	151.7 Å²	151.7	91%	0.913	79%	0.785	S	S	*	*			trans	67.5	128.6	153.4	-61.8	178.9	-176.8	168.9	0.4	115.8
39	E	27	Very low	28.6	Very low	174 Å²	174	151.6 Å²	151.6	81%	0.813	79%	0.787	S	S	*	*			cis	-129	143	8.5	-87.1	130	-179.5	0	0	112.5
40	Y	27.3	Very low	28.9	Very low	197 Å²	197	154 Å²	154	77%	0.773	80%	0.796	S	S	*	*			trans	-130.4	100.1	152.7	-104.3	-79.5	0	0	0	106.6
41	D	27.9	Very low	29.2	Very low	165 Å²	165	154.4 Å²	154.4	88%	0.882	79%	0.792	S	S	*	*			trans	-142	150.4	159	-154.5	-10.8	0	0	0	108.2
42	G	28.8	Very low	29.7	Very low	63 Å²	63	157.2 Å²	157.2	65%	0.649	80%	0.797	S	S	*	*			trans	86.5	52.6	-179.2	0	0	0	0	0	116.6
43	R	34.6	Very low	30	Very low	200 Å²	200	157.7 Å²	157.7	76%	0.755	79%	0.794	S	S	*	*			trans	-115.2	64.7	156.6	-80.6	-165.5	-176.4	155.4	8.6	112.5
44	N	32.1	Very low	30.5	Very low	160 Å²	160	157.1 Å²	157.1	86%	0.856	80%	0.796	S	S	*	*	S	Bend	trans	-165.4	83.3	154.4	-94.3	-27.3	0	0	0	107.3
45	M	28.3	Very low	31.1	Very low	164 Å²	164	153.3 Å²	153.3	81%	0.808	77%	0.774	S	S	*	*			trans	161.1	77.8	165.2	-89.7	-83.2	-82.1	0	0	108.4	L47	M45-L47 VanDerWaalsContact C-N 3.34Å; M45-L47 HydrophobicContact SD-CB 4.21Å
46	A	29.9	Very low	31.6	Very low	105 Å²	105	149.3 Å²	149.3	87%	0.868	76%	0.764	S	S	*	*			trans	-101	63.3	163.9	0	0	0	0	0	108.4
47	L	30.3	Very low	32.7	Very low	123 Å²	123	146.3 Å²	146.3	64%	0.644	75%	0.754	S	S	*	*			trans	-103.2	108.9	178.1	-170.2	127.8	0	0	0	107.1	M45	M45-L47 VanDerWaalsContact C-N 3.34Å; M45-L47 HydrophobicContact SD-CB 4.21Å
48	F	36.8	Very low	33.8	Very low	184 Å²	184	147.6 Å²	147.6	81%	0.807	75%	0.748	S	S	*	*			trans	53.8	79.3	-178.8	-65	-87.4	0	0	0	116.1
49	E	29.1	Very low	34.9	Very low	174 Å²	174	138.8 Å²	138.8	81%	0.813	72%	0.723	S	S	*	*			trans	-90.2	99.9	142.6	-80.8	179.6	138.3	0	0	108.4	E51	E49-E51 PolarHBondContact O-N 3.28Å; E49-E51 VanDerWaalsContact O-N 3.1Å
50	E	37.5	Very low	36.3	Very low	181 Å²	181	133 Å²	133	85%	0.846	70%	0.702	S	S	*	*			trans	-68.2	91.2	151.8	-76	-172.8	127.7	0	0	107.1	M52	E50-M52 PolarHBondContact O-N 3.27Å
51	E	32.3	Very low	37.5	Very low	175 Å²	175	128 Å²	128	82%	0.818	69%	0.688	S	S	*	*			trans	-60.8	106	165.5	-86.6	-170.1	135.2	0	0	108.5	E49 D53	E49-E51 PolarHBondContact O-N 3.28Å; E49-E51 VanDerWaalsContact O-N 3.1Å; E51-D53 VanDerWaalsContact C-N 3.27Å; E51-D53 PolarHBondContact O-N 3.45Å
52	M	36.4	Very low	39	Very low	156 Å²	156	125.1 Å²	125.1	77%	0.768	67%	0.672	S	S	*	*			trans	-72.5	83.4	-179.9	-169.2	177.3	64.3	0	0	108.8	E50 T54	E50-M52 PolarHBondContact O-N 3.27Å; M52-T54 HydrophobicContact CE-CG2 4.43Å; M52-T54 HydrophobicContact CG-CG2 4.21Å; M52-T54 PolarHBondContact O-N 3.38Å; M52-T54 PolarHBondContact O-OG1 2.92Å
53	D	31.2	Very low	40.4	Very low	139 Å²	139	125.3 Å²	125.3	74%	0.743	66%	0.664	S	S	*	*			trans	-68.2	71.7	-175.1	-144	-9.6	0	0	0	111.2	E51 S55	E51-D53 VanDerWaalsContact C-N 3.27Å; E51-D53 PolarHBondContact O-N 3.45Å; D53-S55 PolarHBondContact O-N 2.8Å
54	T	36.2	Very low	41.7	Very low	121 Å²	121	117.3 Å²	117.3	74%	0.742	64%	0.643	S	S	*	*			trans	-76.3	39.7	174	44.1	0	0	0	0	111.8	M52	M52-T54 HydrophobicContact CE-CG2 4.43Å; M52-T54 HydrophobicContact CG-CG2 4.21Å; M52-T54 PolarHBondContact O-N 3.38Å; M52-T54 PolarHBondContact O-OG1 2.92Å
55	S	39.5	Very low	43.1	Very low	43 Å²	43	112.8 Å²	112.8	30%	0.301	62%	0.618	S	S	.	*	S	Bend	trans	-65.7	144.9	151.8	62.7	0	0	0	0	108.4	D53 M57	D53-S55 PolarHBondContact O-N 2.8Å; S55-M57 PolarHBondContact O-N 2.9Å
56	P	37.6	Very low	44.6	Very low	92 Å²	92	108.9 Å²	108.9	60%	0.597	61%	0.612	S	S	*	*			trans	-61.6	117.6	178.5	20.6	-26.3	0	0	0	108	V58 S59	P56-V58 CarbonylContact O-C 3.58Å; P56-V58 PolarHBondContact O-N 2.68Å; P56-S59 WeakPolarHBondContact CG-OG 3.04Å; P56-S59 PolarHBondContact O-N 2.87Å; P56-S59 PolarHBondContact O-OG 3.07Å
57	M	51.9	Low	46.3	Very low	143 Å²	143	108.1 Å²	108.1	70%	0.704	59%	0.593	S	S	*	*	H	α-helix	trans	-52	-27.4	-166.8	-143.8	-179.3	90.2	0	0	113.5	S55 S60 L61	S55-M57 PolarHBondContact O-N 2.9Å; M57-S60 PolarHBondContact O-OG 3.08Å; M57-L61 HydrophobicContact CE-CD1 3.97Å; M57-L61 VanDerWaalsContact O-CB 3.3Å; M57-L61 WeakPolarHBondContact O-CB 3.25Å; M57-L61 WeakPolarHBondContact O-CD1 3.27Å; M57-L61 WeakPolarHBondContact O-CG 3.25Å; M57-L61 PolarHBondContact O-N 3.02Å; M57-L61 VanDerWaalsContact O-N 3.07Å
58	V	50.2	Low	48.4	Very low	99 Å²	99	102.7 Å²	102.7	60%	0.6	56%	0.564	S	S	*	*	H	α-helix	trans	-67.6	-37.2	175	-173	0	0	0	0	112.7	P56 L62	P56-V58 CarbonylContact O-C 3.58Å; P56-V58 PolarHBondContact O-N 2.68Å; V58-L62 HydrophobicContact CG1-CD1 3.8Å; V58-L62 HydrophobicContact CG1-CG 4.18Å; V58-L62 VanDerWaalsContact O-CB 3.22Å; V58-L62 WeakPolarHBondContact O-CB 3.49Å; V58-L62 WeakPolarHBondContact O-CG 3.18Å; V58-L62 PolarHBondContact O-N 2.85Å
59	S	47.2	Very low	50.2	Low	57 Å²	57	95.6 Å²	95.6	40%	0.399	54%	0.537	S	S	.	.	H	α-helix	trans	-74.2	-34.8	179.9	66.8	0	0	0	0	113.4	P56 S63	P56-S59 WeakPolarHBondContact CG-OG 3.04Å; P56-S59 PolarHBondContact O-N 2.87Å; P56-S59 PolarHBondContact O-OG 3.07Å; S59-S63 WeakPolarHBondContact O-CB 3.36Å; S59-S63 PolarHBondContact O-N 2.88Å; S59-S63 PolarHBondContact O-OG 2.67Å
60	S	57.1	Low	52.3	Low	53 Å²	53	87.7 Å²	87.7	37%	0.371	50%	0.5	S	S	.	.	H	α-helix	trans	-73.2	-37	173.4	52.2	0	0	0	0	111.4	M57 S63 G64	M57-S60 PolarHBondContact O-OG 3.08Å; S60-S63 PolarHBondContact O-OG 3.23Å; S60-G64 PolarHBondContact O-N 2.62Å
61	L	53.3	Low	54.2	Low	91 Å²	91	79.5 Å²	79.5	48%	0.476	46%	0.462	S	S	.	.	H	α-helix	trans	-64.8	-44.6	169.2	-72.8	170.9	0	0	0	112.3	M57 G64 L65	M57-L61 HydrophobicContact CE-CD1 3.97Å; M57-L61 VanDerWaalsContact O-CB 3.3Å; M57-L61 WeakPolarHBondContact O-CB 3.25Å; M57-L61 WeakPolarHBondContact O-CD1 3.27Å; M57-L61 WeakPolarHBondContact O-CG 3.25Å; M57-L61 PolarHBondContact O-N 3.02Å; M57-L61 VanDerWaalsContact O-N 3.07Å; L61-G64 CarbonylContact O-C 3.6Å; L61-G64 PolarHBondContact O-N 2.99Å; L61-L65 WeakPolarHBondContact O-CB 3.37Å; L61-L65 WeakPolarHBondContact O-CD1 3.23Å; L61-L65 WeakPolarHBondContact O-CG 3.22Å; L61-L65 PolarHBondContact O-N 3.44Å
62	L	58.6	Low	56.2	Low	105 Å²	105	71.7 Å²	71.7	55%	0.55	43%	0.426	S	S	.	.	H	α-helix	trans	-65.9	-39.4	178.8	-76.4	172	0	0	0	112.6	V58 L65 A66	V58-L62 HydrophobicContact CG1-CD1 3.8Å; V58-L62 HydrophobicContact CG1-CG 4.18Å; V58-L62 VanDerWaalsContact O-CB 3.22Å; V58-L62 WeakPolarHBondContact O-CB 3.49Å; V58-L62 WeakPolarHBondContact O-CG 3.18Å; V58-L62 PolarHBondContact O-N 2.85Å; L62-L65 HydrophobicContact CD2-CD1 4.39Å; L62-L65 PolarHBondContact O-N 2.82Å; L62-A66 WeakPolarHBondContact O-CB 3.4Å; L62-A66 PolarHBondContact O-N 3.16Å
63	S	59.3	Low	58	Low	67 Å²	67	64.9 Å²	64.9	47%	0.469	39%	0.393	S	S	.	.	H	α-helix	trans	-70.5	-33.4	174.3	62.4	0	0	0	0	112.3	S59 S60 N67	S59-S63 WeakPolarHBondContact O-CB 3.36Å; S59-S63 PolarHBondContact O-N 2.88Å; S59-S63 PolarHBondContact O-OG 2.67Å; S60-S63 PolarHBondContact O-OG 3.23Å; S63-N67 PolarHBondContact O-N 3.4Å; S63-N67 PolarHBondContact O-ND2 2.79Å
64	G	60.6	Low	60	Low	31 Å²	31	58.6 Å²	58.6	32%	0.32	36%	0.36	S	S	.	.	H	α-helix	trans	-65.4	-38.1	168.9	0	0	0	0	0	113.7	S60 L61 N67 M101	S60-G64 PolarHBondContact O-N 2.62Å; L61-G64 CarbonylContact O-C 3.6Å; L61-G64 PolarHBondContact O-N 2.99Å; G64-N67 PolarHBondContact O-N 3.03Å; G64-M101 WeakPolarHBondContact O-CE 3.47Å
65	L	62.5	Low	61.9	Low	65 Å²	65	52.8 Å²	52.8	34%	0.34	33%	0.325	S	S	.	.	H	α-helix	trans	-68.5	-39.5	174.9	-74	160.3	0	0	0	111.7	L61 L62 N67 Y68 M101 L257	L61-L65 WeakPolarHBondContact O-CB 3.37Å; L61-L65 WeakPolarHBondContact O-CD1 3.23Å; L61-L65 WeakPolarHBondContact O-CG 3.22Å; L61-L65 PolarHBondContact O-N 3.44Å; L62-L65 HydrophobicContact CD2-CD1 4.39Å; L62-L65 PolarHBondContact O-N 2.82Å; L65-N67 PolarHBondContact O-N 3.05Å; L65-Y68 WeakPolarHBondContact O-CB 3.44Å; L65-Y68 PolarHBondContact O-N 3.12Å; L65-M101 HydrophobicContact CB-CE 4.45Å; L65-M101 HydrophobicContact CD2-CE 3.66Å; L65-M101 HydrophobicContact CD2-SD 4.22Å; L65-M101 HydrophobicContact CG-CE 4.01Å; L65-L257 HydrophobicContact CB-CD1 3.88Å; L65-L257 HydrophobicContact CD2-CD1 3.63Å; L65-L257 HydrophobicContact CG-CD1 4.36Å; L65-L257 WeakPolarHBondContact O-CD1 3.2Å
66	A	59.2	Low	63.9	Low	82 Å²	82	55.5 Å²	55.5	68%	0.678	33%	0.328	S	S	*	.	H	α-helix	trans	-63.3	-25.8	177	0	0	0	0	0	113.6	L62	L62-A66 WeakPolarHBondContact O-CB 3.4Å; L62-A66 PolarHBondContact O-N 3.16Å
67	N	65.4	Low	65.8	Low	89 Å²	89	54.5 Å²	54.5	48%	0.476	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	16.2	178.4	-68.7	-32.6	0	0	0	113.5	S63 G64 L65 M97	S63-N67 PolarHBondContact O-N 3.4Å; S63-N67 PolarHBondContact O-ND2 2.79Å; G64-N67 PolarHBondContact O-N 3.03Å; L65-N67 PolarHBondContact O-N 3.05Å; N67-M97 WeakPolarHBondContact O-CE 3.31Å
68	Y	74	Confident	67.1	Low	9 Å²	9	48.3 Å²	48.3	4%	0.035	29%	0.285	C	S	.	.			trans	-72.9	131.1	178.7	179.5	-99.2	0	0	0	112.8	L65 N70 M101 L105 P106 Q109 A256 L257 L260	L65-Y68 WeakPolarHBondContact O-CB 3.44Å; L65-Y68 PolarHBondContact O-N 3.12Å; Y68-N70 HydrophobicContact CE1-CB 4.01Å; Y68-M101 HydrophobicContact CD2-CE 3.97Å; Y68-M101 HydrophobicContact CG-CE 4.44Å; Y68-L105 HydrophobicContact CE2-CB 4.04Å; Y68-P106 HydrophobicContact CE2-CG 4.03Å; Y68-Q109 PolarHBondContact OH-OE1 3.29Å; Y68-A256 HydrophobicContact CD1-CB 3.87Å; Y68-A256 HydrophobicContact CE1-CB 3.86Å; Y68-L257 HydrophobicContact CD1-CB 4.09Å; Y68-L260 HydrophobicContact CE1-CD2 4.45Å
69	T	75.3	Confident	68.6	Low	36 Å²	36	47.1 Å²	47.1	22%	0.221	27%	0.273	C	S	.	.			trans	-141.4	77.9	-169.6	47.4	0	0	0	0	112.5	L71 N253 R420	T69-L71 PolarHBondContact O-N 3.46Å; T69-N253 HydrophobicContact CG2-CB 4.18Å; T69-R420 PolarHBondContact O-NE 3.05Å; T69-R420 PolarHBondContact O-NH2 2.99Å
70	N	72.9	Confident	70.1	Confident	8 Å²	8	48.3 Å²	48.3	4%	0.043	27%	0.272	C	S	.	.			trans	-58.4	-11.3	-172.7	67.5	-29.8	0	0	0	116.2	Y68 Q109 A256 R420 Q501	Y68-N70 HydrophobicContact CE1-CB 4.01Å; N70-Q109 PolarHBondContact ND2-NE2 3.29Å; N70-Q109 PolarHBondContact ND2-OE1 2.86Å; N70-A256 HydrophobicContact CB-CB 4.2Å; N70-A256 WeakPolarHBondContact OD1-CB 3.41Å; N70-R420 VanDerWaalsContact CA-NH2 3.35Å; N70-Q501 VanDerWaalsContact ND2-CD 3.25Å; N70-Q501 PolarHBondContact ND2-NE2 3.02Å; N70-Q501 PolarHBondContact ND2-OE1 3.31Å; N70-Q501 PolarHBondContact O-NE2 3.4Å
71	L	76.8	Confident	70.9	Confident	8 Å²	8	47.6 Å²	47.6	4%	0.042	27%	0.269	C	S	.	.	S	Bend	trans	-70.9	154.9	-178.8	-83.8	71.1	0	0	0	114.3	T69 V249 V252 N253 T504	T69-L71 PolarHBondContact O-N 3.46Å; L71-V249 HydrophobicContact CD2-CG1 3.06Å; L71-V252 HydrophobicContact CD1-CG1 4.13Å; L71-N253 WeakPolarHBondContact CD1-OD1 3.3Å; L71-N253 WeakPolarHBondContact CD2-OD1 3.42Å; L71-T504 HydrophobicContact CD2-CG2 3.82Å; L71-T504 WeakPolarHBondContact CD2-OG1 3.25Å
72	P	74.3	Confident	71.8	Confident	12 Å²	12	48.6 Å²	48.6	8%	0.078	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-78.6	145.9	-179.3	31.3	-34.3	0	0	0	113.2	N419 G505 R508	P72-N419 HydrophobicContact CB-CB 3.82Å; P72-G505 VanDerWaalsContact CG-CA 3.47Å; P72-R508 WeakPolarHBondContact O-CD 3.22Å; P72-R508 PolarHBondContact O-NH1 3.17Å
73	Q	75.9	Confident	72.5	Confident	13 Å²	13	49.5 Å²	49.5	6%	0.061	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-64.7	159.2	167.9	-71.2	-175.9	-20.1	0	0	111.8	E77 N419 D423	Q73-E77 WeakPolarHBondContact CA-OE2 3.21Å; Q73-E77 WeakPolarHBondContact CB-OE2 3.34Å; Q73-E77 WeakPolarHBondContact CG-OE2 3.46Å; Q73-N419 WeakPolarHBondContact CB-O 3.43Å; Q73-N419 WeakPolarHBondContact CG-O 3.39Å; Q73-N419 PolarHBondContact N-O 2.85Å; Q73-D423 PolarHBondContact NE2-OD1 3.41Å; Q73-D423 VanDerWaalsContact NE2-OD1 3.16Å; Q73-D423 PolarHBondContact NE2-OD2 2.81Å
74	G	71.9	Confident	72.6	Confident	6 Å²	6	52 Å²	52	6%	0.062	29%	0.285	C	S	.	.			trans	-139.7	-178	-175.7	0	0	0	0	0	114.2	R76 E77 H78	G74-R76 PolarHBondContact O-N 3.15Å; G74-R76 VanDerWaalsContact O-N 3.14Å; G74-E77 PolarHBondContact N-OE2 3.38Å; G74-E77 PolarHBondContact O-N 2.74Å; G74-H78 PolarHBondContact O-N 3.21Å
75	S	77.3	Confident	72.4	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-56.1	-32.8	-173.8	60	0	0	0	0	114.5	E77 H78 E79 Y166 R515	S75-E77 VanDerWaalsContact C-N 3.35Å; S75-E77 PolarHBondContact O-N 3.26Å; S75-H78 WeakPolarHBondContact O-CB 3.19Å; S75-H78 PolarHBondContact O-N 2.72Å; S75-E79 WeakPolarHBondContact O-CG 3.45Å; S75-E79 PolarHBondContact O-N 2.77Å; S75-Y166 WeakPolarHBondContact CB-OH 3.41Å; S75-R515 WeakPolarHBondContact OG-CD 3.26Å; S75-R515 PolarHBondContact OG-NH1 2.7Å
76	R	80.2	Confident	71.5	Confident	100 Å²	100	59.6 Å²	59.6	38%	0.377	33%	0.331	S	S	.	.	H	α-helix	trans	-62.3	-40.2	176.9	177.7	-179.3	168.6	132.3	9.7	112.3	G74 E79 E80 A530	G74-R76 PolarHBondContact O-N 3.15Å; G74-R76 VanDerWaalsContact O-N 3.14Å; R76-E79 PolarHBondContact O-N 2.94Å; R76-E80 HydrophobicContact CG-CG 4.5Å; R76-E80 IonicContact CZ-OE1 2.94Å; R76-E80 IonicContact NE-OE1 2.74Å; R76-E80 PolarHBondContact NE-OE1 3.2Å; R76-E80 IonicContact NH2-OE1 3.79Å; R76-E80 PolarHBondContact NH2-OE1 3.04Å; R76-E80 WeakPolarHBondContact O-CB 3.41Å; R76-E80 WeakPolarHBondContact O-CG 3.49Å; R76-E80 PolarHBondContact O-N 2.88Å; R76-A530 PolarHBondContact NH1-O 3.3Å
77	E	78.4	Confident	70.4	Confident	71 Å²	71	57.8 Å²	57.8	33%	0.332	32%	0.32	S	S	.	.	H	α-helix	trans	-75.2	-29.5	-178.4	-68	147.6	157.2	0	0	111.1	Q73 G74 S75 A81	Q73-E77 WeakPolarHBondContact CA-OE2 3.21Å; Q73-E77 WeakPolarHBondContact CB-OE2 3.34Å; Q73-E77 WeakPolarHBondContact CG-OE2 3.46Å; G74-E77 PolarHBondContact N-OE2 3.38Å; G74-E77 PolarHBondContact O-N 2.74Å; S75-E77 VanDerWaalsContact C-N 3.35Å; S75-E77 PolarHBondContact O-N 3.26Å; E77-A81 WeakPolarHBondContact O-CB 3.33Å; E77-A81 PolarHBondContact O-N 2.84Å
78	H	79.8	Confident	69.3	Low	13 Å²	13	63.9 Å²	63.9	6%	0.06	34%	0.342	C	S	.	.	H	α-helix	trans	-62.7	-49.4	167.4	-173.3	-70.5	0	0	0	111.1	G74 S75 E80 A81 E82 A161 Y166	G74-H78 PolarHBondContact O-N 3.21Å; S75-H78 WeakPolarHBondContact O-CB 3.19Å; S75-H78 PolarHBondContact O-N 2.72Å; H78-E80 PolarHBondContact O-N 2.94Å; H78-A81 WeakPolarHBondContact O-CB 3.24Å; H78-A81 PolarHBondContact O-N 3.16Å; H78-E82 IonicContact CE1-OE1 2.68Å; H78-E82 PolarHBondContact CE1-OE1 2.98Å; H78-E82 VanDerWaalsContact CE1-OE1 3.23Å; H78-E82 IonicContact CE1-OE2 3.57Å; H78-E82 PolarHBondContact CE1-OE2 2.68Å; H78-E82 IonicContact ND1-OE1 3.73Å; H78-E82 IonicContact ND1-OE2 2.76Å; H78-E82 PolarHBondContact ND1-OE2 2.66Å; H78-E82 VanDerWaalsContact ND1-OE2 3.1Å; H78-E82 PolarHBondContact O-N 2.94Å; H78-A161 WeakPolarHBondContact CB-O 3.45Å; H78-A161 PolarHBondContact CD2-O 2.87Å; H78-Y166 HydrophobicContact CB-CD2 4.35Å; H78-Y166 HydrophobicContact CB-CE2 4.07Å; H78-Y166 AromaticContact CD2-CD1 3.39Å; H78-Y166 WeakPolarHBondContact CD2-CD1 3.45Å; H78-Y166 AromaticContact CD2-CD2 3.7Å; H78-Y166 AromaticContact CD2-CE1 3.73Å; H78-Y166 AromaticContact CD2-CG 3.37Å; H78-Y166 AromaticContact NE2-CD1 3.46Å; H78-Y166 WeakPolarHBondContact NE2-CD1 2.94Å; H78-Y166 AromaticContact NE2-CE1 3.85Å; H78-Y166 AromaticContact NE2-CG 3.87Å
79	E	79.7	Confident	67.8	Low	73 Å²	73	73 Å²	73	34%	0.341	38%	0.382	S	S	.	.	H	α-helix	trans	-62	-40	176.7	-73.4	161.2	-166.4	0	0	112.2	S75 R76 A81 N83 R515	S75-E79 WeakPolarHBondContact O-CG 3.45Å; S75-E79 PolarHBondContact O-N 2.77Å; R76-E79 PolarHBondContact O-N 2.94Å; E79-A81 VanDerWaalsContact C-N 3.33Å; E79-N83 WeakPolarHBondContact O-CB 3.21Å; E79-N83 PolarHBondContact O-N 3.09Å; E79-N83 PolarHBondContact O-ND2 3.45Å; E79-R515 IonicContact OE1-CZ 2.7Å; E79-R515 IonicContact OE1-NE 2.64Å; E79-R515 IonicContact OE1-NH1 3.71Å; E79-R515 PolarHBondContact OE1-NH1 3.49Å; E79-R515 IonicContact OE2-CZ 3.42Å; E79-R515 IonicContact OE2-NH1 3.29Å; E79-R515 PolarHBondContact OE2-NH1 3.12Å
80	E	79.1	Confident	65.6	Low	83 Å²	83	80.7 Å²	80.7	39%	0.388	41%	0.413	S	S	.	.	H	α-helix	trans	-67.6	-32	175	-75.7	180	-170.9	0	0	112.3	R76 H78 N84	R76-E80 HydrophobicContact CG-CG 4.5Å; R76-E80 IonicContact CZ-OE1 2.94Å; R76-E80 IonicContact NE-OE1 2.74Å; R76-E80 PolarHBondContact NE-OE1 3.2Å; R76-E80 IonicContact NH2-OE1 3.79Å; R76-E80 PolarHBondContact NH2-OE1 3.04Å; R76-E80 WeakPolarHBondContact O-CB 3.41Å; R76-E80 WeakPolarHBondContact O-CG 3.49Å; R76-E80 PolarHBondContact O-N 2.88Å; H78-E80 PolarHBondContact O-N 2.94Å; E80-N84 WeakPolarHBondContact O-CB 3.33Å; E80-N84 PolarHBondContact O-N 3.27Å; E80-N84 PolarHBondContact O-ND2 2.78Å
81	A	73.6	Confident	64.1	Low	37 Å²	37	86.2 Å²	86.2	31%	0.306	45%	0.449	S	S	.	.	H	α-helix	trans	-69.4	-49.9	174.2	0	0	0	0	0	112	E77 H78 E79 N83 N84 E85 A161	E77-A81 WeakPolarHBondContact O-CB 3.33Å; E77-A81 PolarHBondContact O-N 2.84Å; H78-A81 WeakPolarHBondContact O-CB 3.24Å; H78-A81 PolarHBondContact O-N 3.16Å; E79-A81 VanDerWaalsContact C-N 3.33Å; A81-N83 VanDerWaalsContact C-N 3.33Å; A81-N83 PolarHBondContact O-N 3.05Å; A81-N84 PolarHBondContact O-N 2.75Å; A81-N84 VanDerWaalsContact O-N 3.15Å; A81-E85 PolarHBondContact O-N 2.97Å; A81-A161 HydrophobicContact CB-CB 3.63Å
82	E	74.1	Confident	62.1	Low	113 Å²	113	92.6 Å²	92.6	53%	0.528	49%	0.488	S	S	.	.	H	α-helix	trans	-59.4	-42	177.8	-71.9	179.5	135.5	0	0	111.9	H78 N84 E85	H78-E82 IonicContact CE1-OE1 2.68Å; H78-E82 PolarHBondContact CE1-OE1 2.98Å; H78-E82 VanDerWaalsContact CE1-OE1 3.23Å; H78-E82 IonicContact CE1-OE2 3.57Å; H78-E82 PolarHBondContact CE1-OE2 2.68Å; H78-E82 IonicContact ND1-OE1 3.73Å; H78-E82 IonicContact ND1-OE2 2.76Å; H78-E82 PolarHBondContact ND1-OE2 2.66Å; H78-E82 VanDerWaalsContact ND1-OE2 3.1Å; H78-E82 PolarHBondContact O-N 2.94Å; E82-N84 VanDerWaalsContact C-N 3.34Å; E82-N84 PolarHBondContact O-N 2.79Å; E82-E85 PolarHBondContact O-N 2.91Å
83	N	71.6	Confident	60.6	Low	124 Å²	124	99 Å²	99	66%	0.663	52%	0.517	S	S	*	.	H	α-helix	trans	-67.6	-30.6	177.6	-78	-63.4	0	0	0	113.4	E79 A81 E85 G86	E79-N83 WeakPolarHBondContact O-CB 3.21Å; E79-N83 PolarHBondContact O-N 3.09Å; E79-N83 PolarHBondContact O-ND2 3.45Å; A81-N83 VanDerWaalsContact C-N 3.33Å; A81-N83 PolarHBondContact O-N 3.05Å; N83-E85 VanDerWaalsContact C-N 3.32Å; N83-G86 PolarHBondContact O-N 3.14Å
84	N	61.8	Low	59.3	Low	119 Å²	119	102.2 Å²	102.2	64%	0.636	55%	0.545	S	S	*	.	H	α-helix	trans	-73.6	-20.5	177.8	-86.1	-54.3	0	0	0	113.3	E80 A81 E82 G86	E80-N84 WeakPolarHBondContact O-CB 3.33Å; E80-N84 PolarHBondContact O-N 3.27Å; E80-N84 PolarHBondContact O-ND2 2.78Å; A81-N84 PolarHBondContact O-N 2.75Å; A81-N84 VanDerWaalsContact O-N 3.15Å; E82-N84 VanDerWaalsContact C-N 3.34Å; E82-N84 PolarHBondContact O-N 2.79Å; N84-G86 VanDerWaalsContact C-N 3.34Å
85	E	55.8	Low	58.3	Low	179 Å²	179	106.7 Å²	106.7	84%	0.836	57%	0.574	S	S	*	*	H	α-helix	trans	-75.5	-23.6	171.4	-65	-166.4	149.3	0	0	112.3	A81 E82 N83	A81-E85 PolarHBondContact O-N 2.97Å; E82-E85 PolarHBondContact O-N 2.91Å; N83-E85 VanDerWaalsContact C-N 3.32Å
86	G	43.8	Very low	57.9	Low	76 Å²	76	113.5 Å²	113.5	78%	0.784	60%	0.599	S	S	*	*	S	Bend	trans	-95.2	-7.1	-176.7	0	0	0	0	0	117	N83 N84	N83-G86 PolarHBondContact O-N 3.14Å; N84-G86 VanDerWaalsContact C-N 3.34Å
87	G	37.2	Very low	57.8	Low	44 Å²	44	110.3 Å²	110.3	45%	0.454	59%	0.589	S	S	.	*	S	Bend	trans	-138.5	149.5	-167.1	0	0	0	0	0	115.8	K89	G87-K89 PolarHBondContact O-N 3.28Å
88	K	42.5	Very low	58.2	Low	217 Å²	217	109 Å²	109	94%	0.943	59%	0.594	S	S	*	*			trans	-53.9	127.5	-178.6	-74.4	179.1	176.9	175.7	0	112.5
89	K	41.2	Very low	58.6	Low	200 Å²	200	110.6 Å²	110.6	87%	0.87	61%	0.605	S	S	*	*			trans	-45.5	131.7	-177.7	-63.3	177.6	178.1	178.4	0	114.4	G87	G87-K89 PolarHBondContact O-N 3.28Å
90	K	30.5	Very low	59.1	Low	198 Å²	198	113 Å²	113	86%	0.861	61%	0.614	S	S	*	*			trans	-99	131.1	148.5	-82.9	-175.4	175.9	177.8	0	109.5	V92	K90-V92 PolarHBondContact O-N 3.25Å
91	P	41.6	Very low	59.3	Low	124 Å²	124	110.6 Å²	110.6	81%	0.805	60%	0.604	S	S	*	*	S	Bend	trans	-94	83.9	-176.5	35.7	-33.3	0	0	0	112.4
92	V	34	Very low	59.8	Low	142 Å²	142	108.8 Å²	108.8	86%	0.861	59%	0.589	S	S	*	*			trans	-146	82	150.7	-170.8	0	0	0	0	107.9	K90	K90-V92 PolarHBondContact O-N 3.25Å
93	Q	43.5	Very low	60.6	Low	148 Å²	148	103.4 Å²	103.4	69%	0.692	56%	0.564	S	S	*	*			trans	-78.3	127.6	165	-79.9	-171.8	5.9	0	0	108.4
94	A	47.4	Very low	61.6	Low	79 Å²	79	99.1 Å²	99.1	65%	0.653	54%	0.538	S	S	*	.			trans	-58.7	151.3	167.2	0	0	0	0	0	110	R96	A94-R96 PolarHBondContact O-N 3.15Å
95	P	51.6	Low	62.9	Low	101 Å²	101	94.2 Å²	94.2	66%	0.656	51%	0.512	S	S	*	.			trans	-60.1	114.4	178.6	24.3	-33.6	0	0	0	110.2	M97	P95-M97 PolarHBondContact O-N 3.16Å
96	R	68.1	Low	64.5	Low	143 Å²	143	85.7 Å²	85.7	54%	0.54	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-63	133.8	-178.2	-61.8	-171.1	-172.1	-163.3	0.1	110.5	A94 D423 R425	A94-R96 PolarHBondContact O-N 3.15Å; R96-D423 CarbonylContact C-O 3.58Å; R96-D423 WeakPolarHBondContact CA-O 3.35Å; R96-R425 HydrophobicContact CB-CB 4.07Å
97	M	78.6	Confident	66.7	Low	33 Å²	33	82.1 Å²	82.1	16%	0.163	44%	0.435	C	S	.	.	B	Isolated β-bridge	trans	-75	142.4	-175.3	-60.6	-167.9	-176.3	0	0	111.9	N67 P95 R420 D423 L424 R425	N67-M97 WeakPolarHBondContact O-CE 3.31Å; P95-M97 PolarHBondContact O-N 3.16Å; M97-R420 PolarHBondContact SD-NH1 3.15Å; M97-D423 PolarHBondContact N-O 3.49Å; M97-L424 HydrophobicContact CB-CD2 4.38Å; M97-L424 WeakPolarHBondContact O-CA 3.48Å; M97-R425 PolarHBondContact O-N 3.48Å
98	G	86.1	Confident	69.3	Low	42 Å²	42	80.4 Å²	80.4	43%	0.433	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-88.9	170	169.5	0	0	0	0	0	112.9	F100 M101 G102	G98-F100 VanDerWaalsContact C-N 3.29Å; G98-F100 PolarHBondContact O-N 2.97Å; G98-F100 VanDerWaalsContact O-N 3.13Å; G98-M101 PolarHBondContact O-N 2.93Å; G98-G102 WeakPolarHBondContact O-CA 3.42Å; G98-G102 PolarHBondContact O-N 2.94Å
99	T	89.4	Confident	71.5	Confident	48 Å²	48	70.7 Å²	70.7	29%	0.294	37%	0.374	S	S	.	.	H	α-helix	trans	-47.6	-44.1	-175.9	-48.8	0	0	0	0	114.6	V103 Y104 S430 T433	T99-V103 WeakPolarHBondContact O-CB 3.32Å; T99-V103 PolarHBondContact O-N 3.12Å; T99-Y104 PolarHBondContact O-N 2.86Å; T99-S430 PolarHBondContact OG1-OG 3.38Å; T99-T433 WeakPolarHBondContact CG2-OG1 3.37Å
100	F	89.1	Confident	73.7	Confident	122 Å²	122	62.7 Å²	62.7	54%	0.535	34%	0.341	S	S	.	.	I	π-helix	trans	-66.1	-56.8	-174.2	-174.4	-104	0	0	0	112.5	G98 Y104 L105	G98-F100 VanDerWaalsContact C-N 3.29Å; G98-F100 PolarHBondContact O-N 2.97Å; G98-F100 VanDerWaalsContact O-N 3.13Å; F100-Y104 AromaticContact CD2-CD1 3.54Å; F100-Y104 HydrophobicContact CD2-CD1 3.54Å; F100-Y104 HydrophobicContact CD2-CE1 4.08Å; F100-Y104 HydrophobicContact CD2-CG 4.31Å; F100-Y104 AromaticContact CE2-CD1 3.47Å; F100-Y104 HydrophobicContact CE2-CD1 3.47Å; F100-Y104 VanDerWaalsContact CE2-CD1 3.47Å; F100-Y104 AromaticContact CE2-CE1 3.55Å; F100-Y104 HydrophobicContact CE2-CE1 3.55Å; F100-Y104 HydrophobicContact CG-CD1 4.48Å; F100-Y104 HydrophobicContact CZ-CD1 4.35Å; F100-Y104 HydrophobicContact CZ-CE1 4.36Å; F100-Y104 PolarHBondContact O-N 2.82Å; F100-L105 HydrophobicContact CD1-CD1 4.13Å; F100-L105 HydrophobicContact CD1-CG 4.31Å; F100-L105 HydrophobicContact CE1-CD1 3.72Å; F100-L105 HydrophobicContact CE1-CD2 4.17Å; F100-L105 HydrophobicContact CE1-CG 4Å; F100-L105 HydrophobicContact CE2-CD2 4.29Å; F100-L105 HydrophobicContact CZ-CD1 4.26Å; F100-L105 HydrophobicContact CZ-CD2 3.85Å; F100-L105 HydrophobicContact CZ-CG 4.13Å; F100-L105 PolarHBondContact O-N 3.42Å
101	M	84.8	Confident	76.6	Confident	33 Å²	33	53.4 Å²	53.4	16%	0.163	30%	0.3	C	S	.	.	I	π-helix	trans	-75.3	-30.9	-179.1	-66.8	-63.8	-76	0	0	113.1	G64 L65 Y68 G98 L105 R420	G64-M101 WeakPolarHBondContact O-CE 3.47Å; L65-M101 HydrophobicContact CB-CE 4.45Å; L65-M101 HydrophobicContact CD2-CE 3.66Å; L65-M101 HydrophobicContact CD2-SD 4.22Å; L65-M101 HydrophobicContact CG-CE 4.01Å; Y68-M101 HydrophobicContact CD2-CE 3.97Å; Y68-M101 HydrophobicContact CG-CE 4.44Å; G98-M101 PolarHBondContact O-N 2.93Å; M101-L105 HydrophobicContact SD-CD1 3.61Å; M101-R420 PolarHBondContact O-NH1 3.24Å
102	G	83	Confident	78.9	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.264	C	S	.	.	I	π-helix	trans	-84.9	-35.2	-173.8	0	0	0	0	0	115.1	G98	G98-G102 WeakPolarHBondContact O-CA 3.42Å; G98-G102 PolarHBondContact O-N 2.94Å
103	V	90.8	Very high	81.2	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.224	C	C	.	.	I	π-helix	trans	-126.3	-51.4	-171.6	-178.1	0	0	0	0	112.2	T99 P106 C107 L424 I431	T99-V103 WeakPolarHBondContact O-CB 3.32Å; T99-V103 PolarHBondContact O-N 3.12Å; V103-P106 WeakPolarHBondContact O-CD 3.43Å; V103-C107 WeakPolarHBondContact O-CB 3.46Å; V103-C107 PolarHBondContact O-N 2.89Å; V103-C107 VanDerWaalsContact O-N 3.09Å; V103-L424 HydrophobicContact CG2-CD1 3.71Å; V103-L424 HydrophobicContact CG2-CD2 3.77Å; V103-L424 HydrophobicContact CG2-CG 4.42Å; V103-I431 HydrophobicContact CG2-CG1 4.4Å
104	Y	93	Very high	83.2	Confident	33 Å²	33	34.3 Å²	34.3	13%	0.129	19%	0.192	C	C	.	.	I	π-helix	trans	-66.5	-55.9	-172.7	171.4	-98.9	0	0	0	112.7	T99 F100 C107 L108 L437 A438 T441	T99-Y104 PolarHBondContact O-N 2.86Å; F100-Y104 AromaticContact CD2-CD1 3.54Å; F100-Y104 HydrophobicContact CD2-CD1 3.54Å; F100-Y104 HydrophobicContact CD2-CE1 4.08Å; F100-Y104 HydrophobicContact CD2-CG 4.31Å; F100-Y104 AromaticContact CE2-CD1 3.47Å; F100-Y104 HydrophobicContact CE2-CD1 3.47Å; F100-Y104 VanDerWaalsContact CE2-CD1 3.47Å; F100-Y104 AromaticContact CE2-CE1 3.55Å; F100-Y104 HydrophobicContact CE2-CE1 3.55Å; F100-Y104 HydrophobicContact CG-CD1 4.48Å; F100-Y104 HydrophobicContact CZ-CD1 4.35Å; F100-Y104 HydrophobicContact CZ-CE1 4.36Å; F100-Y104 PolarHBondContact O-N 2.82Å; Y104-C107 PolarHBondContact O-N 3.46Å; Y104-L108 HydrophobicContact CE2-CD1 4.42Å; Y104-L108 WeakPolarHBondContact O-CB 3.49Å; Y104-L108 PolarHBondContact O-N 3.45Å; Y104-L437 HydrophobicContact CD2-CB 4.13Å; Y104-L437 HydrophobicContact CD2-CD2 3.97Å; Y104-L437 HydrophobicContact CD2-CG 3.95Å; Y104-L437 HydrophobicContact CE2-CB 4.36Å; Y104-L437 HydrophobicContact CE2-CD2 4.05Å; Y104-L437 HydrophobicContact CE2-CG 3.8Å; Y104-A438 HydrophobicContact CD2-CB 3.84Å; Y104-A438 HydrophobicContact CE2-CB 4.2Å; Y104-T441 PolarHBondContact OH-OG1 2.94Å
105	L	89.9	Confident	85.3	Confident	16 Å²	16	30.7 Å²	30.7	8%	0.084	16%	0.161	C	C	.	.	H	α-helix	trans	-62.4	-42.2	-179.9	-65.2	-178.4	0	0	0	113.5	Y68 F100 M101 C107 L108 Q109 L260	Y68-L105 HydrophobicContact CE2-CB 4.04Å; F100-L105 HydrophobicContact CD1-CD1 4.13Å; F100-L105 HydrophobicContact CD1-CG 4.31Å; F100-L105 HydrophobicContact CE1-CD1 3.72Å; F100-L105 HydrophobicContact CE1-CD2 4.17Å; F100-L105 HydrophobicContact CE1-CG 4Å; F100-L105 HydrophobicContact CE2-CD2 4.29Å; F100-L105 HydrophobicContact CZ-CD1 4.26Å; F100-L105 HydrophobicContact CZ-CD2 3.85Å; F100-L105 HydrophobicContact CZ-CG 4.13Å; F100-L105 PolarHBondContact O-N 3.42Å; M101-L105 HydrophobicContact SD-CD1 3.61Å; L105-C107 VanDerWaalsContact C-N 3.35Å; L105-C107 PolarHBondContact O-N 2.99Å; L105-L108 PolarHBondContact O-N 3.46Å; L105-Q109 WeakPolarHBondContact O-CB 3.26Å; L105-Q109 PolarHBondContact O-N 2.92Å; L105-L260 HydrophobicContact CB-CD2 4.1Å; L105-L260 HydrophobicContact CD1-CD2 4.09Å; L105-L260 HydrophobicContact CD2-CD2 4.27Å; L105-L260 HydrophobicContact CG-CD2 4.39Å
106	P	88.1	Confident	87.2	Confident	1 Å²	1	26 Å²	26	1%	0.006	13%	0.131	C	C	.	.	H	α-helix	trans	-64.2	-37.5	175.7	-25.6	37.7	0	0	0	113.1	Y68 V103 N110 R420	Y68-P106 HydrophobicContact CE2-CG 4.03Å; V103-P106 WeakPolarHBondContact O-CD 3.43Å; P106-N110 PolarHBondContact O-N 2.97Å; P106-N110 PolarHBondContact O-ND2 3.13Å; P106-R420 VanDerWaalsContact CG-NH2 3.3Å
107	C	90.9	Very high	88.3	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-65.3	-48.5	174.6	-166.9	0	0	0	0	111	V103 Y104 L105 Q109 N110 I111 A438	V103-C107 WeakPolarHBondContact O-CB 3.46Å; V103-C107 PolarHBondContact O-N 2.89Å; V103-C107 VanDerWaalsContact O-N 3.09Å; Y104-C107 PolarHBondContact O-N 3.46Å; L105-C107 VanDerWaalsContact C-N 3.35Å; L105-C107 PolarHBondContact O-N 2.99Å; C107-Q109 VanDerWaalsContact C-N 3.3Å; C107-Q109 PolarHBondContact O-N 3.16Å; C107-N110 PolarHBondContact O-N 3.43Å; C107-N110 VanDerWaalsContact O-N 3.14Å; C107-I111 WeakPolarHBondContact O-CG1 3.39Å; C107-I111 PolarHBondContact O-N 2.81Å; C107-I111 VanDerWaalsContact O-N 3.1Å; C107-A438 HydrophobicContact CB-CB 3.7Å
108	L	90.6	Very high	88.8	Confident	9 Å²	9	18 Å²	18	5%	0.047	10%	0.099	C	C	.	.	H	α-helix	trans	-54.7	-44.6	175.9	-163.6	93.2	0	0	0	112.1	Y104 L105 N110 I111 F112 L260 T441 T442	Y104-L108 HydrophobicContact CE2-CD1 4.42Å; Y104-L108 WeakPolarHBondContact O-CB 3.49Å; Y104-L108 PolarHBondContact O-N 3.45Å; L105-L108 PolarHBondContact O-N 3.46Å; L108-N110 VanDerWaalsContact C-N 3.33Å; L108-N110 PolarHBondContact O-N 2.94Å; L108-I111 PolarHBondContact O-N 2.8Å; L108-F112 HydrophobicContact CD1-CE2 3.84Å; L108-F112 HydrophobicContact CD1-CZ 4.48Å; L108-F112 HydrophobicContact CD2-CD2 4.31Å; L108-F112 HydrophobicContact CD2-CE2 3.97Å; L108-F112 HydrophobicContact CG-CD2 3.89Å; L108-F112 HydrophobicContact CG-CE2 3.62Å; L108-F112 WeakPolarHBondContact O-CD2 3.4Å; L108-F112 PolarHBondContact O-N 2.9Å; L108-L260 HydrophobicContact CD2-CD1 4.44Å; L108-T441 HydrophobicContact CD1-CG2 3.96Å; L108-T442 HydrophobicContact CD1-CG2 3.89Å
109	Q	88.9	Confident	89.1	Confident	12 Å²	12	16.1 Å²	16.1	6%	0.056	8%	0.079	C	C	.	.	H	α-helix	trans	-66.8	-29.1	-179.7	-170.8	168.1	9	0	0	113.7	Y68 N70 L105 C107 A256 L260	Y68-Q109 PolarHBondContact OH-OE1 3.29Å; N70-Q109 PolarHBondContact ND2-NE2 3.29Å; N70-Q109 PolarHBondContact ND2-OE1 2.86Å; L105-Q109 WeakPolarHBondContact O-CB 3.26Å; L105-Q109 PolarHBondContact O-N 2.92Å; C107-Q109 VanDerWaalsContact C-N 3.3Å; C107-Q109 PolarHBondContact O-N 3.16Å; Q109-A256 PolarHBondContact NE2-O 3.41Å; Q109-L260 HydrophobicContact CB-CD1 4.2Å
110	N	86.9	Confident	89.3	Confident	33 Å²	33	13.8 Å²	13.8	18%	0.176	7%	0.065	C	C	.	.	H	α-helix	trans	-87.4	-24.2	179.2	-80.8	-92.7	0	0	0	113.3	P106 C107 L108 A416 Q501	P106-N110 PolarHBondContact O-N 2.97Å; P106-N110 PolarHBondContact O-ND2 3.13Å; C107-N110 PolarHBondContact O-N 3.43Å; C107-N110 VanDerWaalsContact O-N 3.14Å; L108-N110 VanDerWaalsContact C-N 3.33Å; L108-N110 PolarHBondContact O-N 2.94Å; N110-A416 HydrophobicContact CB-CB 3.72Å; N110-A416 VanDerWaalsContact ND2-CB 3.34Å; N110-A416 WeakPolarHBondContact ND2-CB 3.41Å; N110-Q501 PolarHBondContact ND2-NE2 3.38Å; N110-Q501 PolarHBondContact ND2-OE1 2.92Å; N110-Q501 VanDerWaalsContact OD1-CD 3.25Å; N110-Q501 PolarHBondContact OD1-NE2 3.46Å; N110-Q501 PolarHBondContact OD1-OE1 3.17Å
111	I	91.7	Very high	89.5	Confident	3 Å²	3	8.3 Å²	8.3	2%	0.015	4%	0.042	C	C	.	.	H	α-helix	trans	-79.7	-39.5	176.7	-63.2	162.1	0	0	0	110.7	C107 L108 G113 S410 T412 I414 I439 T442 Y446	C107-I111 WeakPolarHBondContact O-CG1 3.39Å; C107-I111 PolarHBondContact O-N 2.81Å; C107-I111 VanDerWaalsContact O-N 3.1Å; L108-I111 PolarHBondContact O-N 2.8Å; I111-G113 PolarHBondContact O-N 3.03Å; I111-S410 WeakPolarHBondContact CG2-O 3.39Å; I111-T412 VanDerWaalsContact CG1-O 3.29Å; I111-T412 WeakPolarHBondContact CG1-O 3.37Å; I111-I414 HydrophobicContact CD1-CG2 4.47Å; I111-I439 HydrophobicContact CD1-CG1 4.2Å; I111-T442 HydrophobicContact CB-CG2 3.91Å; I111-T442 HydrophobicContact CD1-CG2 4.12Å; I111-T442 HydrophobicContact CG2-CG2 3.66Å; I111-Y446 HydrophobicContact CG2-CE2 4.12Å; I111-Y446 PolarHBondContact O-OH 3.01Å; I111-Y446 VanDerWaalsContact O-OH 3.09Å
112	F	90.3	Very high	90	Very high	8 Å²	8	7.2 Å²	7.2	4%	0.035	4%	0.036	C	C	.	.	S	Bend	trans	-74.6	94.2	177.3	-72	-45	0	0	0	111.8	L108 L116 V263 I267 T442 V445	L108-F112 HydrophobicContact CD1-CE2 3.84Å; L108-F112 HydrophobicContact CD1-CZ 4.48Å; L108-F112 HydrophobicContact CD2-CD2 4.31Å; L108-F112 HydrophobicContact CD2-CE2 3.97Å; L108-F112 HydrophobicContact CG-CD2 3.89Å; L108-F112 HydrophobicContact CG-CE2 3.62Å; L108-F112 WeakPolarHBondContact O-CD2 3.4Å; L108-F112 PolarHBondContact O-N 2.9Å; F112-L116 HydrophobicContact CD1-CD2 3.96Å; F112-L116 HydrophobicContact CE1-CD2 4.34Å; F112-V263 HydrophobicContact CB-CG1 3.75Å; F112-V263 HydrophobicContact CD2-CG1 3.76Å; F112-V263 HydrophobicContact CG-CG1 4.01Å; F112-I267 HydrophobicContact CD1-CD1 4.09Å; F112-I267 HydrophobicContact CD2-CD1 3.86Å; F112-I267 HydrophobicContact CE1-CD1 3.89Å; F112-I267 HydrophobicContact CE2-CD1 3.63Å; F112-I267 HydrophobicContact CG-CD1 4.09Å; F112-I267 HydrophobicContact CZ-CD1 3.65Å; F112-T442 HydrophobicContact CD1-CG2 4.31Å; F112-T442 HydrophobicContact CD2-CG2 4.46Å; F112-T442 HydrophobicContact CE1-CG2 3.87Å; F112-T442 HydrophobicContact CE2-CG2 4.06Å; F112-T442 HydrophobicContact CZ-CG2 3.73Å; F112-V445 HydrophobicContact CE1-CB 4.18Å; F112-V445 HydrophobicContact CE1-CG1 3.91Å; F112-V445 HydrophobicContact CZ-CB 4.17Å; F112-V445 HydrophobicContact CZ-CG1 4.12Å; F112-V445 HydrophobicContact CZ-CG2 4.21Å
113	G	81.4	Confident	90.5	Very high	3 Å²	3	7.3 Å²	7.3	3%	0.031	4%	0.036	C	C	.	.			trans	-109.9	-174.6	178.6	0	0	0	0	0	114.7	I111 I115 L116	I111-G113 PolarHBondContact O-N 3.03Å; G113-I115 PolarHBondContact O-N 2.92Å; G113-I115 VanDerWaalsContact O-N 3.16Å; G113-L116 PolarHBondContact O-N 3.44Å
114	V	86.7	Confident	90.7	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.006	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-32.1	-177	68.9	0	0	0	0	114.6	L116 F117 L118 M194 Y195 T495 L554	V114-L116 VanDerWaalsContact C-N 3.27Å; V114-L116 PolarHBondContact O-N 3.1Å; V114-F117 PolarHBondContact O-N 2.89Å; V114-F117 VanDerWaalsContact O-N 3.08Å; V114-L118 HydrophobicContact CG2-CB 4.19Å; V114-L118 HydrophobicContact CG2-CD1 3.89Å; V114-L118 HydrophobicContact CG2-CD2 3.84Å; V114-L118 HydrophobicContact CG2-CG 4.19Å; V114-L118 PolarHBondContact O-N 2.95Å; V114-M194 HydrophobicContact CG1-CE 4Å; V114-Y195 HydrophobicContact CB-CD1 4.42Å; V114-Y195 HydrophobicContact CG1-CD1 4.14Å; V114-Y195 HydrophobicContact CG1-CE1 4.33Å; V114-T495 HydrophobicContact CB-CG2 3.88Å; V114-T495 HydrophobicContact CG2-CG2 3.98Å; V114-L554 HydrophobicContact CG1-CD1 4.41Å
115	I	90.8	Very high	90.7	Very high	3 Å²	3	6.1 Å²	6.1	2%	0.015	3%	0.034	C	C	.	.	H	α-helix	trans	-59.3	-34.8	-176.7	-65	-60	0	0	0	112.6	G113 F117 R119 L120 M194 I406 Y407 L554	G113-I115 PolarHBondContact O-N 2.92Å; G113-I115 VanDerWaalsContact O-N 3.16Å; I115-F117 PolarHBondContact O-N 2.91Å; I115-R119 HydrophobicContact CD1-CB 4.04Å; I115-R119 HydrophobicContact CD1-CG 3.88Å; I115-R119 HydrophobicContact CG2-CB 4.28Å; I115-R119 PolarHBondContact O-N 2.95Å; I115-R119 VanDerWaalsContact O-N 3.14Å; I115-L120 PolarHBondContact O-N 2.7Å; I115-M194 HydrophobicContact CD1-CE 3.49Å; I115-M194 VanDerWaalsContact CD1-CE 3.49Å; I115-M194 HydrophobicContact CG1-CE 3.59Å; I115-I406 HydrophobicContact CD1-CG2 4.43Å; I115-Y407 HydrophobicContact CG2-CD2 4.31Å; I115-L554 HydrophobicContact CD1-CD2 4.21Å
116	L	91.4	Very high	90.9	Very high	3 Å²	3	5.4 Å²	5.4	2%	0.016	3%	0.03	C	C	.	.	H	α-helix	trans	-57	-39.6	177	178.1	58.7	0	0	0	112	F112 G113 V114 L120 I267 Y446	F112-L116 HydrophobicContact CD1-CD2 3.96Å; F112-L116 HydrophobicContact CE1-CD2 4.34Å; G113-L116 PolarHBondContact O-N 3.44Å; V114-L116 VanDerWaalsContact C-N 3.27Å; V114-L116 PolarHBondContact O-N 3.1Å; L116-L120 HydrophobicContact CD1-CD2 3.76Å; L116-I267 HydrophobicContact CD2-CD1 4.06Å; L116-I267 HydrophobicContact CD2-CG1 4.03Å; L116-Y446 HydrophobicContact CB-CE1 4.01Å; L116-Y446 HydrophobicContact CD1-CD1 3.93Å; L116-Y446 HydrophobicContact CD1-CE1 3.78Å; L116-Y446 HydrophobicContact CG-CE1 4.33Å
117	F	91.1	Very high	91.2	Very high	1 Å²	1	5.4 Å²	5.4	0%	0.004	3%	0.03	C	C	.	.	H	α-helix	trans	-96.6	-36.2	-173.4	-56.3	-66.2	0	0	0	113.2	V114 I115 I267 I270 V476 I487	V114-F117 PolarHBondContact O-N 2.89Å; V114-F117 VanDerWaalsContact O-N 3.08Å; I115-F117 PolarHBondContact O-N 2.91Å; F117-I267 HydrophobicContact CZ-CG1 4.49Å; F117-I270 HydrophobicContact CD1-CD1 4.22Å; F117-I270 HydrophobicContact CE1-CD1 3.97Å; F117-V476 WeakPolarHBondContact O-CG1 3.32Å; F117-I487 HydrophobicContact CD1-CG2 3.91Å
118	L	89.8	Confident	91.4	Very high	8 Å²	8	5.5 Å²	5.5	4%	0.042	3%	0.031	C	C	.	.	H	α-helix	trans	-101.2	-17.1	-170.8	-91	71.5	0	0	0	115.2	V114 E201 I202 L474	V114-L118 HydrophobicContact CG2-CB 4.19Å; V114-L118 HydrophobicContact CG2-CD1 3.89Å; V114-L118 HydrophobicContact CG2-CD2 3.84Å; V114-L118 HydrophobicContact CG2-CG 4.19Å; V114-L118 PolarHBondContact O-N 2.95Å; L118-E201 HydrophobicContact CD2-CB 4.24Å; L118-E201 HydrophobicContact CD2-CG 4.21Å; L118-I202 HydrophobicContact CD1-CD1 3.82Å; L118-I202 HydrophobicContact CD1-CG1 3.77Å; L118-I202 HydrophobicContact CD2-CD1 4.46Å; L118-I202 HydrophobicContact CD2-CG1 3.95Å; L118-I202 HydrophobicContact CG-CG1 4.38Å; L118-L474 HydrophobicContact CD1-CD1 4.27Å
119	R	92.8	Very high	91.6	Very high	1 Å²	1	5.5 Å²	5.5	0%	0.004	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.3	-23.2	-171.9	-65.4	-63	-177.6	-87.5	-7.4	114.9	I115 T121 W122 V123 E201 I406 D555	I115-R119 HydrophobicContact CD1-CB 4.04Å; I115-R119 HydrophobicContact CD1-CG 3.88Å; I115-R119 HydrophobicContact CG2-CB 4.28Å; I115-R119 PolarHBondContact O-N 2.95Å; I115-R119 VanDerWaalsContact O-N 3.14Å; R119-T121 VanDerWaalsContact C-N 3.35Å; R119-T121 PolarHBondContact O-N 2.85Å; R119-W122 PolarHBondContact O-N 3.07Å; R119-W122 VanDerWaalsContact O-N 3.11Å; R119-V123 WeakPolarHBondContact O-CG2 3.48Å; R119-V123 PolarHBondContact O-N 3.42Å; R119-E201 IonicContact CZ-OE1 3.93Å; R119-E201 IonicContact CZ-OE2 3.14Å; R119-E201 IonicContact NH1-OE1 2.64Å; R119-E201 PolarHBondContact NH1-OE1 3.19Å; R119-E201 IonicContact NH1-OE2 2.72Å; R119-E201 IonicContact NH2-OE1 2.74Å; R119-E201 PolarHBondContact NH2-OE1 3.05Å; R119-E201 IonicContact NH2-OE2 2.74Å; R119-E201 PolarHBondContact NH2-OE2 3.12Å; R119-I406 HydrophobicContact CG-CG2 4.45Å; R119-D555 IonicContact CZ-OD1 2.78Å; R119-D555 IonicContact NE-OD1 3.66Å; R119-D555 PolarHBondContact NE-OD1 3.49Å; R119-D555 IonicContact NE-OD2 3.41Å; R119-D555 IonicContact NH2-OD1 3.22Å; R119-D555 PolarHBondContact NH2-OD1 2.91Å; R119-D555 IonicContact NH2-OD2 2.71Å
120	L	93.1	Very high	91.8	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-62	-39.5	-176.3	-172.9	56.8	0	0	0	113	I115 L116 W122 V123 V124 Y407 Y446 V450 F453	I115-L120 PolarHBondContact O-N 2.7Å; L116-L120 HydrophobicContact CD1-CD2 3.76Å; L120-W122 VanDerWaalsContact C-N 3.34Å; L120-W122 PolarHBondContact O-N 3.11Å; L120-V123 PolarHBondContact O-N 2.57Å; L120-V124 HydrophobicContact CD1-CG2 4.5Å; L120-V124 VanDerWaalsContact O-CG2 3.25Å; L120-V124 WeakPolarHBondContact O-CG2 3.46Å; L120-V124 PolarHBondContact O-N 2.96Å; L120-Y407 HydrophobicContact CD1-CD2 4.31Å; L120-Y407 HydrophobicContact CD1-CE2 3.96Å; L120-Y446 HydrophobicContact CD2-CD1 4.17Å; L120-V450 HydrophobicContact CD1-CG2 3.9Å; L120-F453 HydrophobicContact CB-CE2 4.21Å; L120-F453 HydrophobicContact CD2-CD2 4.48Å; L120-F453 HydrophobicContact CD2-CE2 3.89Å; L120-F453 HydrophobicContact CG-CD2 4.23Å; L120-F453 HydrophobicContact CG-CE2 3.96Å
121	T	93.9	Very high	92.2	Very high	7 Å²	7	11.4 Å²	11.4	4%	0.043	6%	0.059	C	C	.	.	H	α-helix	trans	-60.4	-43	173.5	46.5	0	0	0	0	112	R119 V124 G125 F453 I457 L462 V475 V476	R119-T121 VanDerWaalsContact C-N 3.35Å; R119-T121 PolarHBondContact O-N 2.85Å; T121-V124 PolarHBondContact O-N 3.48Å; T121-G125 PolarHBondContact O-N 3.36Å; T121-F453 HydrophobicContact CG2-CD2 3.71Å; T121-F453 HydrophobicContact CG2-CE2 3.92Å; T121-F453 HydrophobicContact CG2-CG 4.08Å; T121-F453 HydrophobicContact CG2-CZ 4.47Å; T121-I457 HydrophobicContact CG2-CD1 4.42Å; T121-L462 HydrophobicContact CG2-CD2 4.25Å; T121-V475 HydrophobicContact CG2-CG1 4.08Å; T121-V476 HydrophobicContact CG2-CB 3.92Å
122	W	93.9	Very high	92.4	Very high	10 Å²	10	11.2 Å²	11.2	4%	0.038	6%	0.058	C	C	.	.	H	α-helix	trans	-66.9	-42.8	178.6	-178.5	75.3	0	0	0	113.1	R119 L120 V124 G125 I126 M396 S398 L403 I406 L462 K465	R119-W122 PolarHBondContact O-N 3.07Å; R119-W122 VanDerWaalsContact O-N 3.11Å; L120-W122 VanDerWaalsContact C-N 3.34Å; L120-W122 PolarHBondContact O-N 3.11Å; W122-V124 VanDerWaalsContact C-N 3.31Å; W122-V124 PolarHBondContact O-N 3.04Å; W122-G125 PolarHBondContact O-N 2.94Å; W122-I126 HydrophobicContact CD2-CG1 4.33Å; W122-I126 HydrophobicContact CZ2-CG1 4.17Å; W122-I126 WeakPolarHBondContact O-CG1 3.46Å; W122-I126 PolarHBondContact O-N 3.33Å; W122-M396 HydrophobicContact CH2-CE 4.44Å; W122-S398 WeakPolarHBondContact CZ2-OG 3.44Å; W122-L403 HydrophobicContact CE3-CD2 4.15Å; W122-L403 HydrophobicContact CH2-CD2 3.73Å; W122-L403 HydrophobicContact CZ3-CD2 3.4Å; W122-I406 HydrophobicContact CH2-CD1 4.49Å; W122-I406 HydrophobicContact CZ3-CD1 4.08Å; W122-L462 VanDerWaalsContact CA-O 3.31Å; W122-L462 WeakPolarHBondContact CA-O 3.27Å; W122-K465 HydrophobicContact CG-CB 4.48Å
123	V	94.4	Very high	92.6	Very high	2 Å²	2	15 Å²	15	1%	0.012	7%	0.074	C	C	.	.	H	α-helix	trans	-57.7	-45.9	172.9	173	0	0	0	0	110.4	R119 L120 I126 A127 S132 M135 L403	R119-V123 WeakPolarHBondContact O-CG2 3.48Å; R119-V123 PolarHBondContact O-N 3.42Å; L120-V123 PolarHBondContact O-N 2.57Å; V123-I126 PolarHBondContact O-N 3.32Å; V123-A127 WeakPolarHBondContact O-CB 3.37Å; V123-A127 PolarHBondContact O-N 3.38Å; V123-S132 PolarHBondContact O-OG 3.11Å; V123-M135 HydrophobicContact CG1-CE 4.32Å; V123-M135 HydrophobicContact CG1-SD 3.98Å; V123-L403 HydrophobicContact CG2-CD2 4.41Å
124	V	95.5	Very high	93.2	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.006	9%	0.092	C	C	.	.	H	α-helix	trans	-64.1	-38.9	176.5	177	0	0	0	0	112.1	L120 T121 W122 G128 I129 S132 V450 L462	L120-V124 HydrophobicContact CD1-CG2 4.5Å; L120-V124 VanDerWaalsContact O-CG2 3.25Å; L120-V124 WeakPolarHBondContact O-CG2 3.46Å; L120-V124 PolarHBondContact O-N 2.96Å; T121-V124 PolarHBondContact O-N 3.48Å; W122-V124 VanDerWaalsContact C-N 3.31Å; W122-V124 PolarHBondContact O-N 3.04Å; V124-G128 CarbonylContact O-C 3.54Å; V124-G128 WeakPolarHBondContact O-CA 3.24Å; V124-G128 PolarHBondContact O-N 2.97Å; V124-I129 HydrophobicContact CG1-CG1 4.37Å; V124-S132 WeakPolarHBondContact CA-OG 3.49Å; V124-V450 HydrophobicContact CG2-CB 4.17Å; V124-V450 HydrophobicContact CG2-CG1 4.08Å; V124-V450 HydrophobicContact CG2-CG2 3.93Å; V124-L462 HydrophobicContact CG1-CD1 4.36Å
125	G	93.1	Very high	93.6	Very high	7 Å²	7	17.8 Å²	17.8	7%	0.072	9%	0.092	C	C	.	.	H	α-helix	trans	-66.7	-35.3	178	0	0	0	0	0	114.4	T121 W122 R463	T121-G125 PolarHBondContact O-N 3.36Å; W122-G125 PolarHBondContact O-N 2.94Å; G125-R463 WeakPolarHBondContact O-CD 3.38Å; G125-R463 WeakPolarHBondContact O-CG 3.32Å
126	I	93.9	Very high	93.7	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-88.2	-48	-177.4	-63	-70.2	0	0	0	112.1	W122 V123 S360 S361 Y362 L363 L403 R463	W122-I126 HydrophobicContact CD2-CG1 4.33Å; W122-I126 HydrophobicContact CZ2-CG1 4.17Å; W122-I126 WeakPolarHBondContact O-CG1 3.46Å; W122-I126 PolarHBondContact O-N 3.33Å; V123-I126 PolarHBondContact O-N 3.32Å; I126-S360 WeakPolarHBondContact O-CA 3.19Å; I126-S361 CarbonylContact O-C 3.47Å; I126-S361 PolarHBondContact O-N 3.1Å; I126-Y362 HydrophobicContact CG2-CD1 3.74Å; I126-Y362 HydrophobicContact CG2-CE1 4Å; I126-L363 HydrophobicContact CD1-CD1 4.19Å; I126-L403 HydrophobicContact CB-CD1 4.36Å; I126-L403 HydrophobicContact CG2-CD1 3.98Å; I126-R463 HydrophobicContact CD1-CB 4.44Å; I126-R463 HydrophobicContact CD1-CG 4.01Å
127	A	93.6	Very high	93.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-84.3	-13.6	-179	0	0	0	0	0	113	V123 E131 M135 S360 L403	V123-A127 WeakPolarHBondContact O-CB 3.37Å; V123-A127 PolarHBondContact O-N 3.38Å; A127-E131 HydrophobicContact CB-CB 4.05Å; A127-E131 WeakPolarHBondContact O-CB 3.27Å; A127-M135 HydrophobicContact CB-CE 4.49Å; A127-S360 WeakPolarHBondContact O-CA 3.07Å; A127-S360 WeakPolarHBondContact O-CB 3.39Å; A127-L403 HydrophobicContact CB-CD1 3.82Å
128	G	94.6	Very high	94.1	Very high	2 Å²	2	25.4 Å²	25.4	2%	0.021	13%	0.128	C	C	.	.	H	α-helix	trans	70.1	172.2	-170.5	0	0	0	0	0	112	V124 M130 S132 N357	V124-G128 CarbonylContact O-C 3.54Å; V124-G128 WeakPolarHBondContact O-CA 3.24Å; V124-G128 PolarHBondContact O-N 2.97Å; G128-M130 PolarHBondContact O-N 3.25Å; G128-S132 WeakPolarHBondContact O-CB 3.43Å; G128-S132 PolarHBondContact O-N 2.85Å; G128-S132 PolarHBondContact O-OG 3.29Å; G128-N357 WeakPolarHBondContact CA-O 3.48Å
129	I	95.1	Very high	94.3	Very high	10 Å²	10	25.1 Å²	25.1	5%	0.051	13%	0.126	C	C	.	.	H	α-helix	trans	-63.8	-41.6	-174.1	-62.4	163.2	0	0	0	111.9	V124 F133 I354 N357 L358 V450 V451	V124-I129 HydrophobicContact CG1-CG1 4.37Å; I129-F133 VanDerWaalsContact O-CB 3.26Å; I129-F133 WeakPolarHBondContact O-CB 3.13Å; I129-F133 PolarHBondContact O-N 2.76Å; I129-I354 HydrophobicContact CD1-CG1 3.55Å; I129-N357 HydrophobicContact CD1-CB 4.17Å; I129-N357 WeakPolarHBondContact CG1-O 3.36Å; I129-N357 PolarHBondContact N-O 2.78Å; I129-L358 HydrophobicContact CB-CD1 4.49Å; I129-L358 PolarHBondContact N-O 2.99Å; I129-V450 HydrophobicContact CG2-CG1 4.4Å; I129-V451 HydrophobicContact CG2-CG2 4.39Å
130	M	94.6	Very high	94.4	Very high	111 Å²	111	25.5 Å²	25.5	55%	0.547	13%	0.129	S	C	.	.	H	α-helix	trans	-67.9	-50.3	-172.6	-73.7	-63	-63	0	0	113.3	G128 F133 C134 L358	G128-M130 PolarHBondContact O-N 3.25Å; M130-F133 PolarHBondContact O-N 2.97Å; M130-C134 PolarHBondContact O-N 2.64Å; M130-C134 VanDerWaalsContact O-N 3.12Å; M130-L358 HydrophobicContact CG-CD1 3.67Å; M130-L358 HydrophobicContact CG-CG 3.87Å; M130-L358 PolarHBondContact N-O 3.1Å; M130-L358 HydrophobicContact SD-CD1 4.15Å
131	E	94.4	Very high	94.4	Very high	57 Å²	57	27 Å²	27	27%	0.266	14%	0.14	S	C	.	.	H	α-helix	trans	-70.2	-36.9	179.2	-62.5	177.9	-154.4	0	0	111.1	A127 C134 M135 S360 Y362 F400	A127-E131 HydrophobicContact CB-CB 4.05Å; A127-E131 WeakPolarHBondContact O-CB 3.27Å; E131-C134 PolarHBondContact O-N 3.35Å; E131-M135 WeakPolarHBondContact O-CB 3.4Å; E131-M135 PolarHBondContact O-N 3.45Å; E131-S360 VanDerWaalsContact OE1-CB 3.22Å; E131-S360 WeakPolarHBondContact OE1-CB 3.21Å; E131-S360 PolarHBondContact OE1-OG 3.38Å; E131-Y362 WeakPolarHBondContact OE2-CE2 3.5Å; E131-Y362 PolarHBondContact OE2-OH 2.9Å; E131-F400 HydrophobicContact CB-CD2 4.33Å; E131-F400 HydrophobicContact CB-CE2 4.22Å
132	S	95.1	Very high	94.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59.9	-46.5	172.5	-58.1	0	0	0	0	112.1	V123 V124 G128 C134 M135 V136	V123-S132 PolarHBondContact O-OG 3.11Å; V124-S132 WeakPolarHBondContact CA-OG 3.49Å; G128-S132 WeakPolarHBondContact O-CB 3.43Å; G128-S132 PolarHBondContact O-N 2.85Å; G128-S132 PolarHBondContact O-OG 3.29Å; S132-C134 VanDerWaalsContact C-N 3.32Å; S132-C134 PolarHBondContact O-N 3.43Å; S132-M135 WeakPolarHBondContact O-CB 3.07Å; S132-M135 PolarHBondContact O-N 2.96Å; S132-V136 WeakPolarHBondContact O-CG2 3.41Å; S132-V136 PolarHBondContact O-N 2.87Å
133	F	95.3	Very high	94.6	Very high	87 Å²	87	26.3 Å²	26.3	38%	0.382	14%	0.137	S	C	.	.	H	α-helix	trans	-59.2	-44.7	177.3	-179.8	-80.2	0	0	0	111.2	I129 M130 V136 F137 I447 V450	I129-F133 VanDerWaalsContact O-CB 3.26Å; I129-F133 WeakPolarHBondContact O-CB 3.13Å; I129-F133 PolarHBondContact O-N 2.76Å; M130-F133 PolarHBondContact O-N 2.97Å; F133-V136 PolarHBondContact O-N 3.42Å; F133-F137 VanDerWaalsContact O-CB 3.3Å; F133-F137 WeakPolarHBondContact O-CB 3.37Å; F133-F137 PolarHBondContact O-N 3.41Å; F133-I447 HydrophobicContact CD2-CG2 3.89Å; F133-I447 HydrophobicContact CE2-CG2 3.42Å; F133-I447 VanDerWaalsContact CE2-CG2 3.42Å; F133-I447 HydrophobicContact CZ-CG2 4.3Å; F133-V450 HydrophobicContact CB-CG1 4.48Å
134	C	94.1	Very high	94.6	Very high	59 Å²	59	28.7 Å²	28.7	40%	0.399	15%	0.148	S	C	.	.	H	α-helix	trans	-62	-44.6	177	-169.7	0	0	0	0	111.9	M130 E131 S132 F137 I138	M130-C134 PolarHBondContact O-N 2.64Å; M130-C134 VanDerWaalsContact O-N 3.12Å; E131-C134 PolarHBondContact O-N 3.35Å; S132-C134 VanDerWaalsContact C-N 3.32Å; S132-C134 PolarHBondContact O-N 3.43Å; C134-F137 PolarHBondContact O-N 3.01Å; C134-I138 VanDerWaalsContact O-CG1 3.29Å; C134-I138 WeakPolarHBondContact O-CG1 3.44Å; C134-I138 PolarHBondContact O-N 2.85Å
135	M	94.3	Very high	94.7	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.015	15%	0.153	C	C	.	.	H	α-helix	trans	-59.2	-49.4	176.7	-178.9	-172.8	-49.2	0	0	112.2	V123 A127 E131 S132 I138 C139 F400 L403 V404 Y407	V123-M135 HydrophobicContact CG1-CE 4.32Å; V123-M135 HydrophobicContact CG1-SD 3.98Å; A127-M135 HydrophobicContact CB-CE 4.49Å; E131-M135 WeakPolarHBondContact O-CB 3.4Å; E131-M135 PolarHBondContact O-N 3.45Å; S132-M135 WeakPolarHBondContact O-CB 3.07Å; S132-M135 PolarHBondContact O-N 2.96Å; M135-I138 PolarHBondContact O-N 2.92Å; M135-C139 PolarHBondContact O-N 2.69Å; M135-C139 VanDerWaalsContact O-N 3.1Å; M135-C139 PolarHBondContact O-SG 3.45Å; M135-F400 HydrophobicContact CB-CE2 4.31Å; M135-F400 HydrophobicContact CB-CZ 4.46Å; M135-F400 HydrophobicContact CE-CD2 4.02Å; M135-F400 HydrophobicContact CE-CE2 3.87Å; M135-L403 HydrophobicContact CE-CB 3.54Å; M135-L403 HydrophobicContact CE-CD1 4.36Å; M135-L403 HydrophobicContact SD-CB 4.04Å; M135-V404 HydrophobicContact CE-CG2 4.35Å; M135-V404 HydrophobicContact CG-CG2 3.95Å; M135-V404 HydrophobicContact SD-CG2 4.37Å; M135-Y407 HydrophobicContact CG-CD1 4.44Å; M135-Y407 HydrophobicContact SD-CG 4.32Å
136	V	94.6	Very high	94.8	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.012	15%	0.149	C	C	.	.	H	α-helix	trans	-58.8	-48.7	175.2	175.1	0	0	0	0	110.3	S132 F133 I138 C139 C140 Y407 I447 V450	S132-V136 WeakPolarHBondContact O-CG2 3.41Å; S132-V136 PolarHBondContact O-N 2.87Å; F133-V136 PolarHBondContact O-N 3.42Å; V136-I138 PolarHBondContact O-N 2.95Å; V136-C139 PolarHBondContact O-N 3.49Å; V136-C140 WeakPolarHBondContact O-CB 3.48Å; V136-C140 PolarHBondContact O-N 2.81Å; V136-C140 PolarHBondContact O-SG 3.05Å; V136-C140 VanDerWaalsContact O-SG 3.34Å; V136-Y407 HydrophobicContact CB-CE1 4.38Å; V136-Y407 HydrophobicContact CG2-CE1 4.01Å; V136-Y407 HydrophobicContact CG2-CE2 3.93Å; V136-I447 HydrophobicContact CB-CG1 4.47Å; V136-I447 HydrophobicContact CG1-CD1 4.5Å; V136-I447 HydrophobicContact CG1-CG1 3.6Å; V136-V450 HydrophobicContact CG2-CG2 3.87Å
137	F	94.8	Very high	94.9	Very high	111 Å²	111	29.2 Å²	29.2	49%	0.487	15%	0.149	S	C	.	.	H	α-helix	trans	-59.9	-42.7	-178.3	-179.7	-97.5	0	0	0	113	F133 C134 S141	F133-F137 VanDerWaalsContact O-CB 3.3Å; F133-F137 WeakPolarHBondContact O-CB 3.37Å; F133-F137 PolarHBondContact O-N 3.41Å; C134-F137 PolarHBondContact O-N 3.01Å; F137-S141 VanDerWaalsContact O-CB 3.27Å; F137-S141 WeakPolarHBondContact O-CB 3.47Å; F137-S141 PolarHBondContact O-N 2.96Å; F137-S141 PolarHBondContact O-OG 3.28Å
138	I	94.3	Very high	95	Very high	55 Å²	55	30.4 Å²	30.4	28%	0.282	16%	0.155	S	C	.	.	H	α-helix	trans	-64.7	-46.4	177.1	-68	165.2	0	0	0	110.6	C134 M135 V136 S141 C142 L609	C134-I138 VanDerWaalsContact O-CG1 3.29Å; C134-I138 WeakPolarHBondContact O-CG1 3.44Å; C134-I138 PolarHBondContact O-N 2.85Å; M135-I138 PolarHBondContact O-N 2.92Å; V136-I138 PolarHBondContact O-N 2.95Å; I138-S141 PolarHBondContact O-N 3.48Å; I138-C142 WeakPolarHBondContact O-CB 3.42Å; I138-C142 PolarHBondContact O-N 3.34Å; I138-L609 HydrophobicContact CG2-CD1 4.36Å; I138-L609 HydrophobicContact CG2-CD2 3.96Å; I138-L609 HydrophobicContact CG2-CG 4.46Å
139	C	94.1	Very high	95	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.007	15%	0.154	C	C	.	.	H	α-helix	trans	-63.9	-45.2	-179.8	-64.9	0	0	0	0	111.8	M135 V136 C142 T143 Y407 F408 V411	M135-C139 PolarHBondContact O-N 2.69Å; M135-C139 VanDerWaalsContact O-N 3.1Å; M135-C139 PolarHBondContact O-SG 3.45Å; V136-C139 PolarHBondContact O-N 3.49Å; C139-C142 WeakPolarHBondContact O-CB 3.46Å; C139-C142 PolarHBondContact O-N 2.93Å; C139-T143 PolarHBondContact O-N 2.9Å; C139-T143 PolarHBondContact O-OG1 3.27Å; C139-Y407 HydrophobicContact CB-CD1 4.17Å; C139-Y407 HydrophobicContact CB-CE1 3.98Å; C139-F408 HydrophobicContact CB-CD2 4.36Å; C139-V411 HydrophobicContact CB-CG1 4.25Å; C139-V411 HydrophobicContact CB-CG2 3.89Å
140	C	94.7	Very high	94.9	Very high	9 Å²	9	30 Å²	30	6%	0.061	15%	0.153	C	C	.	.	H	α-helix	trans	-64.7	-36.9	175.3	-71.3	0	0	0	0	112.8	V136 T143 M144 S443	V136-C140 WeakPolarHBondContact O-CB 3.48Å; V136-C140 PolarHBondContact O-N 2.81Å; V136-C140 PolarHBondContact O-SG 3.05Å; V136-C140 VanDerWaalsContact O-SG 3.34Å; C140-T143 PolarHBondContact O-N 3.39Å; C140-T143 PolarHBondContact O-OG1 3.35Å; C140-M144 VanDerWaalsContact O-CB 3.26Å; C140-M144 WeakPolarHBondContact O-CB 3.33Å; C140-M144 PolarHBondContact O-N 2.85Å; C140-S443 WeakPolarHBondContact CB-OG 3.35Å; C140-S443 PolarHBondContact SG-OG 3.16Å
141	S	95.1	Very high	94.9	Very high	33 Å²	33	24.7 Å²	24.7	23%	0.231	13%	0.127	C	C	.	.	H	α-helix	trans	-65	-40.9	175.3	-63.5	0	0	0	0	111.7	F137 I138 T143 M144 L145	F137-S141 VanDerWaalsContact O-CB 3.27Å; F137-S141 WeakPolarHBondContact O-CB 3.47Å; F137-S141 PolarHBondContact O-N 2.96Å; F137-S141 PolarHBondContact O-OG 3.28Å; I138-S141 PolarHBondContact O-N 3.48Å; S141-T143 PolarHBondContact O-N 3.43Å; S141-M144 PolarHBondContact O-N 2.83Å; S141-L145 WeakPolarHBondContact O-CG 3.48Å; S141-L145 PolarHBondContact O-N 2.96Å
142	C	95.4	Very high	94.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.3	-45	175.9	-173	0	0	0	0	112.1	I138 C139 T146 C606 L609	I138-C142 WeakPolarHBondContact O-CB 3.42Å; I138-C142 PolarHBondContact O-N 3.34Å; C139-C142 WeakPolarHBondContact O-CB 3.46Å; C139-C142 PolarHBondContact O-N 2.93Å; C142-T146 PolarHBondContact O-N 3.09Å; C142-T146 PolarHBondContact O-OG1 3.45Å; C142-C606 PolarHBondContact SG-SG 3.41Å; C142-L609 HydrophobicContact CB-CD1 4.03Å
143	T	95.2	Very high	94.8	Very high	2 Å²	2	22 Å²	22	1%	0.012	11%	0.114	C	C	.	.	H	α-helix	trans	-76.8	-33.3	-179.5	58.2	0	0	0	0	112.6	C139 C140 S141 T146 A147 V411 Y569	C139-T143 PolarHBondContact O-N 2.9Å; C139-T143 PolarHBondContact O-OG1 3.27Å; C140-T143 PolarHBondContact O-N 3.39Å; C140-T143 PolarHBondContact O-OG1 3.35Å; S141-T143 PolarHBondContact O-N 3.43Å; T143-T146 PolarHBondContact O-N 3.42Å; T143-A147 WeakPolarHBondContact O-CB 3.49Å; T143-A147 PolarHBondContact O-N 3.16Å; T143-V411 HydrophobicContact CG2-CB 4.02Å; T143-V411 HydrophobicContact CG2-CG2 3.69Å; T143-V411 WeakPolarHBondContact CG2-O 3.35Å; T143-Y569 HydrophobicContact CG2-CE2 4.11Å
144	M	95.8	Very high	94.6	Very high	51 Å²	51	17.9 Å²	17.9	25%	0.251	10%	0.096	S	C	.	.	H	α-helix	trans	-62	-47.5	172.4	-176	60.7	76	0	0	112.4	C140 S141 T146 A147 I148 I436 I439 A440	C140-M144 VanDerWaalsContact O-CB 3.26Å; C140-M144 WeakPolarHBondContact O-CB 3.33Å; C140-M144 PolarHBondContact O-N 2.85Å; S141-M144 PolarHBondContact O-N 2.83Å; M144-T146 VanDerWaalsContact C-N 3.28Å; M144-T146 PolarHBondContact O-N 2.98Å; M144-A147 WeakPolarHBondContact O-CB 3.49Å; M144-A147 PolarHBondContact O-N 3.37Å; M144-A147 VanDerWaalsContact O-N 3.15Å; M144-I148 PolarHBondContact O-N 3.4Å; M144-I436 HydrophobicContact CE-CG2 4.39Å; M144-I436 HydrophobicContact SD-CG2 4.01Å; M144-I439 HydrophobicContact CB-CG2 4.46Å; M144-I439 HydrophobicContact CE-CB 4.08Å; M144-I439 HydrophobicContact CE-CG2 3.73Å; M144-A440 HydrophobicContact CE-CB 4.49Å
145	L	96.3	Very high	94.4	Very high	20 Å²	20	15.7 Å²	15.7	11%	0.105	8%	0.08	C	C	.	.	H	α-helix	trans	-61.9	-38.6	175.9	-69.8	167.1	0	0	0	111.6	S141 A147 I148 S149 L598 L601 L605	S141-L145 WeakPolarHBondContact O-CG 3.48Å; S141-L145 PolarHBondContact O-N 2.96Å; L145-A147 VanDerWaalsContact C-N 3.34Å; L145-A147 PolarHBondContact O-N 3.3Å; L145-I148 PolarHBondContact O-N 3.31Å; L145-S149 PolarHBondContact O-N 2.94Å; L145-S149 VanDerWaalsContact O-N 3.12Å; L145-S149 PolarHBondContact O-OG 3.23Å; L145-L598 HydrophobicContact CD2-CB 4.13Å; L145-L598 HydrophobicContact CD2-CD2 4.12Å; L145-L601 HydrophobicContact CD1-CB 4.35Å; L145-L601 HydrophobicContact CD1-CD2 3.97Å; L145-L601 HydrophobicContact CD1-CG 3.93Å; L145-L605 HydrophobicContact CD1-CD1 3.67Å
146	T	96	Very high	94.2	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.006	8%	0.083	C	C	.	.	H	α-helix	trans	-66.2	-35.7	175.1	-52	0	0	0	0	112.2	C142 T143 M144 S149 M150 I414 Y569 V572 N573	C142-T146 PolarHBondContact O-N 3.09Å; C142-T146 PolarHBondContact O-OG1 3.45Å; T143-T146 PolarHBondContact O-N 3.42Å; M144-T146 VanDerWaalsContact C-N 3.28Å; M144-T146 PolarHBondContact O-N 2.98Å; T146-S149 WeakPolarHBondContact O-CB 3.29Å; T146-S149 PolarHBondContact O-N 3.41Å; T146-M150 WeakPolarHBondContact O-CB 3.15Å; T146-M150 PolarHBondContact O-N 3.43Å; T146-I414 HydrophobicContact CG2-CD1 3.94Å; T146-Y569 HydrophobicContact CG2-CD1 3.91Å; T146-Y569 HydrophobicContact CG2-CG 3.84Å; T146-V572 HydrophobicContact CG2-CG1 4.48Å; T146-N573 WeakPolarHBondContact CA-OD1 3.34Å; T146-N573 PolarHBondContact OG1-ND2 3.47Å
147	A	95.5	Very high	93.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-68.7	-31.1	174.5	0	0	0	0	0	113.1	T143 M144 L145 M150 S151 T435 I439	T143-A147 WeakPolarHBondContact O-CB 3.49Å; T143-A147 PolarHBondContact O-N 3.16Å; M144-A147 WeakPolarHBondContact O-CB 3.49Å; M144-A147 PolarHBondContact O-N 3.37Å; M144-A147 VanDerWaalsContact O-N 3.15Å; L145-A147 VanDerWaalsContact C-N 3.34Å; L145-A147 PolarHBondContact O-N 3.3Å; A147-M150 PolarHBondContact O-N 3.22Å; A147-S151 VanDerWaalsContact O-CB 3.32Å; A147-S151 WeakPolarHBondContact O-CB 3.46Å; A147-S151 PolarHBondContact O-N 2.8Å; A147-S151 PolarHBondContact O-OG 3.08Å; A147-T435 HydrophobicContact CB-CG2 4.22Å; A147-I439 HydrophobicContact CB-CD1 3.36Å
148	I	95.8	Very high	93	Very high	25 Å²	25	18.9 Å²	18.9	13%	0.128	12%	0.118	C	C	.	.	H	α-helix	trans	-65.4	-45.5	170.2	-66	168.2	0	0	0	110.2	M144 L145 M150 S151 A152 F591 L598	M144-I148 PolarHBondContact O-N 3.4Å; L145-I148 PolarHBondContact O-N 3.31Å; I148-M150 PolarHBondContact O-N 3.21Å; I148-S151 WeakPolarHBondContact O-CB 3.32Å; I148-S151 PolarHBondContact O-N 3.38Å; I148-A152 PolarHBondContact O-N 3.4Å; I148-F591 HydrophobicContact CG2-CE1 4.3Å; I148-L598 HydrophobicContact CG2-CD1 4.44Å
149	S	95.5	Very high	92.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-60.4	-42.6	173.6	-61.2	0	0	0	0	112.3	L145 T146 S151 A152 I153 N573 S599	L145-S149 PolarHBondContact O-N 2.94Å; L145-S149 VanDerWaalsContact O-N 3.12Å; L145-S149 PolarHBondContact O-OG 3.23Å; T146-S149 WeakPolarHBondContact O-CB 3.29Å; T146-S149 PolarHBondContact O-N 3.41Å; S149-S151 VanDerWaalsContact C-N 3.33Å; S149-S151 PolarHBondContact O-N 3.18Å; S149-A152 WeakPolarHBondContact O-CB 3.38Å; S149-A152 PolarHBondContact O-N 3.29Å; S149-I153 WeakPolarHBondContact O-CG1 3.37Å; S149-I153 PolarHBondContact O-N 2.98Å; S149-I153 VanDerWaalsContact O-N 3.13Å; S149-N573 VanDerWaalsContact CB-OD1 3.25Å; S149-N573 WeakPolarHBondContact CB-OD1 3.25Å; S149-N573 PolarHBondContact OG-OD1 3.3Å; S149-S599 WeakPolarHBondContact OG-CB 3.26Å; S149-S599 PolarHBondContact OG-OG 3.4Å
150	M	93	Very high	91.7	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.015	12%	0.118	C	C	.	.	H	α-helix	trans	-68.3	-31.7	177.5	-164.9	-96.8	-78.1	0	0	112.3	T146 A147 I148 I153 A154 M167 I431 T435	T146-M150 WeakPolarHBondContact O-CB 3.15Å; T146-M150 PolarHBondContact O-N 3.43Å; A147-M150 PolarHBondContact O-N 3.22Å; I148-M150 PolarHBondContact O-N 3.21Å; M150-I153 WeakPolarHBondContact O-CB 3.1Å; M150-I153 PolarHBondContact O-N 3.06Å; M150-A154 WeakPolarHBondContact O-CB 3.41Å; M150-A154 PolarHBondContact O-N 3.48Å; M150-M167 HydrophobicContact CG-CE 4.04Å; M150-M167 HydrophobicContact SD-CE 3.78Å; M150-I431 HydrophobicContact CE-CG2 4.47Å; M150-I431 HydrophobicContact SD-CG2 3.82Å; M150-T435 HydrophobicContact CE-CG2 3.82Å
151	S	93.4	Very high	90.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-68	-33.2	171.6	-61	0	0	0	0	112.8	A147 I148 S149 T155 P432	A147-S151 VanDerWaalsContact O-CB 3.32Å; A147-S151 WeakPolarHBondContact O-CB 3.46Å; A147-S151 PolarHBondContact O-N 2.8Å; A147-S151 PolarHBondContact O-OG 3.08Å; I148-S151 WeakPolarHBondContact O-CB 3.32Å; I148-S151 PolarHBondContact O-N 3.38Å; S149-S151 VanDerWaalsContact C-N 3.33Å; S149-S151 PolarHBondContact O-N 3.18Å; S151-T155 WeakPolarHBondContact O-CG2 3.45Å; S151-T155 PolarHBondContact O-N 3.25Å; S151-T155 PolarHBondContact O-OG1 3.47Å; S151-P432 WeakPolarHBondContact OG-CA 3.4Å; S151-P432 WeakPolarHBondContact OG-CB 3.25Å
152	A	93.8	Very high	89.7	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-67.2	-41.6	172.6	0	0	0	0	0	111.5	I148 S149 T155 N156 W587 P589 Y594	I148-A152 PolarHBondContact O-N 3.4Å; S149-A152 WeakPolarHBondContact O-CB 3.38Å; S149-A152 PolarHBondContact O-N 3.29Å; A152-T155 PolarHBondContact O-N 3.27Å; A152-T155 PolarHBondContact O-OG1 2.94Å; A152-N156 PolarHBondContact O-N 2.84Å; A152-W587 HydrophobicContact CB-CH2 4.4Å; A152-W587 HydrophobicContact CB-CZ2 4.38Å; A152-P589 HydrophobicContact CB-CB 3.92Å; A152-Y594 HydrophobicContact CB-CD1 4.3Å; A152-Y594 HydrophobicContact CB-CD2 3.34Å; A152-Y594 HydrophobicContact CB-CE2 3.69Å; A152-Y594 HydrophobicContact CB-CG 3.66Å
153	I	93.4	Very high	89.2	Confident	1 Å²	1	17.8 Å²	17.8	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-59.1	-52	171.8	-63.9	172	0	0	0	110.2	S149 M150 T155 N156 M167 L172 V572 W587	S149-I153 WeakPolarHBondContact O-CG1 3.37Å; S149-I153 PolarHBondContact O-N 2.98Å; S149-I153 VanDerWaalsContact O-N 3.13Å; M150-I153 WeakPolarHBondContact O-CB 3.1Å; M150-I153 PolarHBondContact O-N 3.06Å; I153-T155 PolarHBondContact O-N 2.73Å; I153-N156 PolarHBondContact O-N 3.11Å; I153-M167 HydrophobicContact CG2-CE 4.16Å; I153-M167 HydrophobicContact CG2-CG 4.07Å; I153-L172 HydrophobicContact CD1-CD1 3.91Å; I153-L172 HydrophobicContact CD1-CD2 4.19Å; I153-L172 HydrophobicContact CD1-CG 4.17Å; I153-L172 HydrophobicContact CG1-CD2 4.13Å; I153-L172 HydrophobicContact CG1-CG 4.48Å; I153-V572 HydrophobicContact CD1-CG1 3.94Å; I153-W587 HydrophobicContact CG1-CH2 3.86Å; I153-W587 HydrophobicContact CG1-CZ3 4.18Å
154	A	91.5	Very high	88.8	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64.6	-11.8	-178.6	0	0	0	0	0	114.8	M150 V159 M167 I431	M150-A154 WeakPolarHBondContact O-CB 3.41Å; M150-A154 PolarHBondContact O-N 3.48Å; A154-V159 WeakPolarHBondContact O-CG2 3.45Å; A154-M167 HydrophobicContact CB-CE 4.47Å; A154-M167 HydrophobicContact CB-SD 3.76Å; A154-I431 HydrophobicContact CB-CB 4.12Å; A154-I431 HydrophobicContact CB-CD1 4.39Å; A154-I431 HydrophobicContact CB-CG2 3.84Å
155	T	91.1	Very high	88.6	Confident	12 Å²	12	15.9 Å²	15.9	7%	0.074	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-0.6	175	54.7	0	0	0	0	113.6	S151 A152 I153 P432 F591	S151-T155 WeakPolarHBondContact O-CG2 3.45Å; S151-T155 PolarHBondContact O-N 3.25Å; S151-T155 PolarHBondContact O-OG1 3.47Å; A152-T155 PolarHBondContact O-N 3.27Å; A152-T155 PolarHBondContact O-OG1 2.94Å; I153-T155 PolarHBondContact O-N 2.73Å; T155-P432 HydrophobicContact CG2-CG 4.17Å; T155-F591 HydrophobicContact CG2-CB 4.29Å; T155-F591 WeakPolarHBondContact OG1-CB 3.2Å; T155-F591 PolarHBondContact OG1-N 3.15Å
156	N	89	Confident	88.2	Confident	12 Å²	12	15.2 Å²	15.2	6%	0.064	10%	0.102	C	C	.	.	S	Bend	trans	-91.2	111.4	175.6	-170.8	51.4	0	0	0	111.2	A152 I153 N586 W587 R588	A152-N156 PolarHBondContact O-N 2.84Å; I153-N156 PolarHBondContact O-N 3.11Å; N156-N586 PolarHBondContact ND2-O 2.92Å; N156-N586 PolarHBondContact OD1-O 2.82Å; N156-W587 HydrophobicContact CB-CE3 4.19Å; N156-W587 HydrophobicContact CB-CZ3 4.02Å; N156-R588 PolarHBondContact OD1-N 3.38Å
157	G	80.9	Confident	87.8	Confident	44 Å²	44	15.2 Å²	15.2	45%	0.454	10%	0.102	S	C	.	.	S	Bend	trans	71.3	-161.4	-178.2	0	0	0	0	0	114	Q428	G157-Q428 PolarHBondContact O-NE2 3.12Å
158	V	83.6	Confident	87.6	Confident	128 Å²	128	15.5 Å²	15.5	78%	0.776	10%	0.103	S	C	*	.	P	Polyproline II helix	trans	-82.5	134.2	173.4	-179.5	0	0	0	0	108.7	P160	V158-P160 WeakPolarHBondContact O-CD 3.31Å
159	V	81.6	Confident	87.3	Confident	24 Å²	24	14.6 Å²	14.6	15%	0.145	10%	0.099	C	C	.	.	P	Polyproline II helix	trans	-80.3	118.9	177.9	-175.7	0	0	0	0	108.7	A154 M167 A427 Q428 I431	A154-V159 WeakPolarHBondContact O-CG2 3.45Å; V159-M167 HydrophobicContact CG1-CG 4.22Å; V159-M167 HydrophobicContact CG1-SD 4.26Å; V159-A427 HydrophobicContact CB-CB 4.01Å; V159-A427 HydrophobicContact CG1-CB 4.02Å; V159-A427 HydrophobicContact CG2-CB 4.2Å; V159-Q428 HydrophobicContact CG2-CG 3.77Å; V159-I431 HydrophobicContact CG1-CD1 4.32Å
160	P	78.6	Confident	86.9	Confident	24 Å²	24	21.4 Å²	21.4	16%	0.156	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-72	147.3	178.8	29.6	-34.5	0	0	0	111.5	V158 R170 S421	V158-P160 WeakPolarHBondContact O-CD 3.31Å; P160-R170 HydrophobicContact CG-CG 4.35Å; P160-S421 WeakPolarHBondContact O-CB 3.31Å; P160-S421 PolarHBondContact O-OG 3.46Å
161	A	74.9	Confident	86.6	Confident	22 Å²	22	22.3 Å²	22.3	18%	0.182	13%	0.131	C	C	.	.	S	Bend	trans	-70.4	141	165.1	0	0	0	0	0	109.7	H78 A81	H78-A161 WeakPolarHBondContact CB-O 3.45Å; H78-A161 PolarHBondContact CD2-O 2.87Å; A81-A161 HydrophobicContact CB-CB 3.63Å
162	G	73.9	Confident	86.2	Confident	4 Å²	4	22.7 Å²	22.7	4%	0.041	13%	0.133	C	C	.	.	S	Bend	trans	125.1	2.2	-177.5	0	0	0	0	0	115.4	Y166	G162-Y166 WeakPolarHBondContact O-CD2 3.24Å
163	G	85.1	Confident	85.9	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.01	14%	0.143	C	C	.	.			trans	90.9	-166.7	170.3	0	0	0	0	0	116	Y165 Y166 M167 S418 S421	G163-Y165 PolarHBondContact O-N 3.02Å; G163-Y166 PolarHBondContact O-N 3.2Å; G163-M167 PolarHBondContact O-N 3.01Å; G163-S418 CarbonylContact C-O 3.51Å; G163-S418 WeakPolarHBondContact CA-O 3.42Å; G163-S421 PolarHBondContact N-OG 3.03Å
164	S	86.3	Confident	85.5	Confident	4 Å²	4	26.4 Å²	26.4	3%	0.028	16%	0.161	C	C	.	.	H	α-helix	trans	-59.3	-39.4	-169.8	54.5	0	0	0	0	114.3	I168 S418 N419	S164-I168 WeakPolarHBondContact O-CD1 3.29Å; S164-I168 VanDerWaalsContact O-CG1 3.22Å; S164-I168 WeakPolarHBondContact O-CG1 3.3Å; S164-I168 PolarHBondContact O-N 3.35Å; S164-S418 WeakPolarHBondContact CB-OG 3.17Å; S164-S418 PolarHBondContact N-O 2.89Å; S164-N419 VanDerWaalsContact CB-OD1 3.27Å; S164-N419 WeakPolarHBondContact CB-OD1 3.46Å; S164-N419 PolarHBondContact OG-OD1 3.3Å
165	Y	90.7	Very high	85.2	Confident	9 Å²	9	28.9 Å²	28.9	4%	0.035	17%	0.173	C	C	.	.	H	α-helix	trans	-62.8	-53.5	-178.9	169.5	-100.6	0	0	0	112.7	G163 M167 I168 S169 G177 L509 A512 I513 D516	G163-Y165 PolarHBondContact O-N 3.02Å; Y165-M167 VanDerWaalsContact C-N 3.3Å; Y165-M167 PolarHBondContact O-N 3.36Å; Y165-I168 PolarHBondContact O-N 3.04Å; Y165-I168 VanDerWaalsContact O-N 3.11Å; Y165-S169 PolarHBondContact O-N 3.1Å; Y165-S169 PolarHBondContact O-OG 3.46Å; Y165-G177 WeakPolarHBondContact CE2-O 3.45Å; Y165-L509 HydrophobicContact CD2-CD1 4.18Å; Y165-L509 HydrophobicContact CG-CD1 4.03Å; Y165-A512 HydrophobicContact CD1-CB 3.67Å; Y165-A512 HydrophobicContact CE1-CB 4.04Å; Y165-A512 HydrophobicContact CG-CB 4.48Å; Y165-I513 HydrophobicContact CD2-CG1 3.88Å; Y165-I513 HydrophobicContact CE1-CG1 4.48Å; Y165-I513 HydrophobicContact CE2-CD1 4.45Å; Y165-I513 HydrophobicContact CE2-CG1 3.5Å; Y165-D516 WeakPolarHBondContact CE1-OD2 3.5Å; Y165-D516 VanDerWaalsContact CZ-OD2 3.26Å; Y165-D516 PolarHBondContact OH-OD2 2.95Å
166	Y	88.9	Confident	85	Confident	5 Å²	5	29.8 Å²	29.8	2%	0.02	18%	0.176	C	C	.	.	H	α-helix	trans	-64.6	-35.6	-179.8	-72.8	-72.1	0	0	0	112.1	S75 H78 G162 G163 I168 S169 R170 A512 D516	S75-Y166 WeakPolarHBondContact CB-OH 3.41Å; H78-Y166 HydrophobicContact CB-CD2 4.35Å; H78-Y166 HydrophobicContact CB-CE2 4.07Å; H78-Y166 AromaticContact CD2-CD1 3.39Å; H78-Y166 WeakPolarHBondContact CD2-CD1 3.45Å; H78-Y166 AromaticContact CD2-CD2 3.7Å; H78-Y166 AromaticContact CD2-CE1 3.73Å; H78-Y166 AromaticContact CD2-CG 3.37Å; H78-Y166 AromaticContact NE2-CD1 3.46Å; H78-Y166 WeakPolarHBondContact NE2-CD1 2.94Å; H78-Y166 AromaticContact NE2-CE1 3.85Å; H78-Y166 AromaticContact NE2-CG 3.87Å; G162-Y166 WeakPolarHBondContact O-CD2 3.24Å; G163-Y166 PolarHBondContact O-N 3.2Å; Y166-I168 VanDerWaalsContact C-N 3.34Å; Y166-I168 PolarHBondContact O-N 3.31Å; Y166-S169 PolarHBondContact O-OG 3.17Å; Y166-R170 VanDerWaalsContact O-CB 3.31Å; Y166-R170 WeakPolarHBondContact O-CB 3.26Å; Y166-R170 VanDerWaalsContact O-CG 3.22Å; Y166-R170 WeakPolarHBondContact O-CG 3.49Å; Y166-R170 PolarHBondContact O-N 2.93Å; Y166-A512 HydrophobicContact CE2-CB 3.68Å; Y166-D516 WeakPolarHBondContact CE1-OD1 3.37Å
167	M	88.3	Confident	85	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-60.6	-42.7	172.7	-172.7	-173.3	73.7	0	0	111.7	M150 I153 A154 V159 G163 Y165 S171 I431	M150-M167 HydrophobicContact CG-CE 4.04Å; M150-M167 HydrophobicContact SD-CE 3.78Å; I153-M167 HydrophobicContact CG2-CE 4.16Å; I153-M167 HydrophobicContact CG2-CG 4.07Å; A154-M167 HydrophobicContact CB-CE 4.47Å; A154-M167 HydrophobicContact CB-SD 3.76Å; V159-M167 HydrophobicContact CG1-CG 4.22Å; V159-M167 HydrophobicContact CG1-SD 4.26Å; G163-M167 PolarHBondContact O-N 3.01Å; Y165-M167 VanDerWaalsContact C-N 3.3Å; Y165-M167 PolarHBondContact O-N 3.36Å; M167-S171 WeakPolarHBondContact O-CB 3.33Å; M167-S171 PolarHBondContact O-N 3.23Å; M167-S171 PolarHBondContact O-OG 3.38Å; M167-S171 VanDerWaalsContact O-OG 3.09Å; M167-I431 HydrophobicContact SD-CD1 4.17Å
168	I	90.1	Very high	85.3	Confident	6 Å²	6	27.1 Å²	27.1	3%	0.031	15%	0.151	C	C	.	.	H	α-helix	trans	-72.2	-46.9	178.6	-67.3	168.7	0	0	0	111.2	S164 Y165 Y166 R170 S171 L172 V180 M415	S164-I168 WeakPolarHBondContact O-CD1 3.29Å; S164-I168 VanDerWaalsContact O-CG1 3.22Å; S164-I168 WeakPolarHBondContact O-CG1 3.3Å; S164-I168 PolarHBondContact O-N 3.35Å; Y165-I168 PolarHBondContact O-N 3.04Å; Y165-I168 VanDerWaalsContact O-N 3.11Å; Y166-I168 VanDerWaalsContact C-N 3.34Å; Y166-I168 PolarHBondContact O-N 3.31Å; I168-R170 PolarHBondContact O-N 2.97Å; I168-S171 PolarHBondContact O-N 3.38Å; I168-L172 HydrophobicContact CG2-CD1 3.83Å; I168-L172 HydrophobicContact CG2-CG 4.43Å; I168-L172 WeakPolarHBondContact O-CB 3.26Å; I168-L172 PolarHBondContact O-N 3.05Å; I168-V180 HydrophobicContact CD1-CG1 4.21Å; I168-V180 HydrophobicContact CG2-CG1 4.37Å; I168-M415 HydrophobicContact CD1-CE 4.1Å
169	S	89.4	Confident	85.6	Confident	6 Å²	6	21.1 Å²	21.1	4%	0.042	12%	0.115	C	C	.	.	H	α-helix	trans	-68.7	-34.5	-175	70.3	0	0	0	0	113.4	Y165 Y166 G173	Y165-S169 PolarHBondContact O-N 3.1Å; Y165-S169 PolarHBondContact O-OG 3.46Å; Y166-S169 PolarHBondContact O-OG 3.17Å; S169-G173 CarbonylContact O-C 3.56Å; S169-G173 VanDerWaalsContact O-CA 3.32Å; S169-G173 WeakPolarHBondContact O-CA 3.49Å; S169-G173 PolarHBondContact O-N 3.2Å; S169-G173 VanDerWaalsContact O-N 3.13Å
170	R	87.6	Confident	86.1	Confident	143 Å²	143	20.1 Å²	20.1	54%	0.54	11%	0.109	S	C	.	.	H	α-helix	trans	-77.5	-35.2	177.1	-62.1	-64.3	-179.2	-139	-10.6	112.9	P160 Y166 I168 D516	P160-R170 HydrophobicContact CG-CG 4.35Å; Y166-R170 VanDerWaalsContact O-CB 3.31Å; Y166-R170 WeakPolarHBondContact O-CB 3.26Å; Y166-R170 VanDerWaalsContact O-CG 3.22Å; Y166-R170 WeakPolarHBondContact O-CG 3.49Å; Y166-R170 PolarHBondContact O-N 2.93Å; I168-R170 PolarHBondContact O-N 2.97Å; R170-D516 IonicContact NH2-OD1 3.1Å
171	S	86.5	Confident	86.7	Confident	22 Å²	22	19.1 Å²	19.1	15%	0.154	10%	0.103	C	C	.	.	H	α-helix	trans	-83.6	-35.8	180	-61.2	0	0	0	0	113.9	M167 I168	M167-S171 WeakPolarHBondContact O-CB 3.33Å; M167-S171 PolarHBondContact O-N 3.23Å; M167-S171 PolarHBondContact O-OG 3.38Å; M167-S171 VanDerWaalsContact O-OG 3.09Å; I168-S171 PolarHBondContact O-N 3.38Å
172	L	85.6	Confident	87.5	Confident	8 Å²	8	19.2 Å²	19.2	4%	0.042	10%	0.1	C	C	.	.	H	α-helix	trans	-99.9	-17.7	-176.9	-59.3	-175.8	0	0	0	114.5	I153 I168 F176 A575 Q579 W587	I153-L172 HydrophobicContact CD1-CD1 3.91Å; I153-L172 HydrophobicContact CD1-CD2 4.19Å; I153-L172 HydrophobicContact CD1-CG 4.17Å; I153-L172 HydrophobicContact CG1-CD2 4.13Å; I153-L172 HydrophobicContact CG1-CG 4.48Å; I168-L172 HydrophobicContact CG2-CD1 3.83Å; I168-L172 HydrophobicContact CG2-CG 4.43Å; I168-L172 WeakPolarHBondContact O-CB 3.26Å; I168-L172 PolarHBondContact O-N 3.05Å; L172-F176 HydrophobicContact CB-CB 4Å; L172-F176 HydrophobicContact CD1-CB 4.35Å; L172-A575 HydrophobicContact CD1-CB 3.76Å; L172-A575 HydrophobicContact CD2-CB 4.2Å; L172-A575 HydrophobicContact CG-CB 4.5Å; L172-Q579 VanDerWaalsContact CD2-OE1 3.27Å; L172-Q579 PolarHBondContact O-NE2 3.37Å; L172-W587 HydrophobicContact CD2-CE3 4.4Å; L172-W587 HydrophobicContact CD2-CH2 4.21Å; L172-W587 HydrophobicContact CD2-CZ3 3.81Å
173	G	86.5	Confident	88.3	Confident	19 Å²	19	19.4 Å²	19.4	20%	0.196	10%	0.101	C	C	.	.			trans	104	156.8	-171.1	0	0	0	0	0	113.2	S169 E175 G177	S169-G173 CarbonylContact O-C 3.56Å; S169-G173 VanDerWaalsContact O-CA 3.32Å; S169-G173 WeakPolarHBondContact O-CA 3.49Å; S169-G173 PolarHBondContact O-N 3.2Å; S169-G173 VanDerWaalsContact O-N 3.13Å; G173-E175 VanDerWaalsContact C-N 3.28Å; G173-E175 PolarHBondContact O-N 2.89Å; G173-G177 PolarHBondContact O-N 2.97Å
174	P	84.6	Confident	88.6	Confident	60 Å²	60	20.4 Å²	20.4	39%	0.39	11%	0.105	S	C	.	.	H	α-helix	trans	-67.2	-25	-174.5	28.2	-35.3	0	0	0	113.7	G178 I518	P174-G178 PolarHBondContact O-N 3.42Å; P174-I518 HydrophobicContact CB-CG2 3.96Å
175	E	86.4	Confident	89	Confident	52 Å²	52	20.6 Å²	20.6	24%	0.243	11%	0.105	C	C	.	.	H	α-helix	trans	-69.4	-50.6	-178.9	-45	77	-172.3	0	0	110.5	G173 A179 Y629 E633	G173-E175 VanDerWaalsContact C-N 3.28Å; G173-E175 PolarHBondContact O-N 2.89Å; E175-A179 WeakPolarHBondContact O-CB 3.41Å; E175-A179 PolarHBondContact O-N 2.76Å; E175-Y629 HydrophobicContact CB-CD2 4.04Å; E175-Y629 HydrophobicContact CB-CE2 3.6Å; E175-E633 HydrophobicContact CG-CB 4.28Å; E175-E633 HydrophobicContact CG-CG 4.46Å
176	F	87	Confident	89.1	Confident	31 Å²	31	22.9 Å²	22.9	14%	0.136	12%	0.118	C	C	.	.	H	α-helix	trans	-68.5	-43.8	173.2	-73.6	-72.5	0	0	0	111.4	L172 G178 A179 V180 A575 Y629	L172-F176 HydrophobicContact CB-CB 4Å; L172-F176 HydrophobicContact CD1-CB 4.35Å; F176-G178 PolarHBondContact O-N 3.28Å; F176-A179 PolarHBondContact O-N 3.38Å; F176-V180 VanDerWaalsContact O-CB 3.24Å; F176-V180 WeakPolarHBondContact O-CB 3.2Å; F176-V180 WeakPolarHBondContact O-CG2 3.41Å; F176-V180 PolarHBondContact O-N 3Å; F176-A575 HydrophobicContact CD1-CB 3.81Å; F176-A575 HydrophobicContact CD2-CB 4.39Å; F176-A575 HydrophobicContact CE1-CB 3.96Å; F176-A575 HydrophobicContact CG-CB 4.04Å; F176-A575 HydrophobicContact CZ-CB 4.31Å; F176-Y629 HydrophobicContact CD1-CD2 4.48Å; F176-Y629 AromaticContact CD1-CE2 3.97Å; F176-Y629 HydrophobicContact CD1-CE2 3.97Å; F176-Y629 HydrophobicContact CD2-CE2 4.12Å; F176-Y629 AromaticContact CE1-CE2 3.83Å; F176-Y629 HydrophobicContact CE1-CE2 3.83Å; F176-Y629 AromaticContact CE2-CE2 3.98Å; F176-Y629 HydrophobicContact CE2-CE2 3.98Å; F176-Y629 HydrophobicContact CG-CE2 4.11Å; F176-Y629 AromaticContact CZ-CE2 3.83Å; F176-Y629 HydrophobicContact CZ-CE2 3.83Å
177	G	88.1	Confident	89.3	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-56.8	-46.4	178.6	0	0	0	0	0	113.2	Y165 G173 G181	Y165-G177 WeakPolarHBondContact CE2-O 3.45Å; G173-G177 PolarHBondContact O-N 2.97Å; G177-G181 WeakPolarHBondContact O-CA 3.36Å; G177-G181 PolarHBondContact O-N 2.88Å
178	G	88.4	Confident	89.5	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-68.3	-45.3	178.8	0	0	0	0	0	113.7	P174 F176 G181 L182	P174-G178 PolarHBondContact O-N 3.42Å; F176-G178 PolarHBondContact O-N 3.28Å; G178-G181 PolarHBondContact O-N 2.64Å; G178-L182 WeakPolarHBondContact O-CB 3.47Å; G178-L182 WeakPolarHBondContact O-CG 3.44Å; G178-L182 PolarHBondContact O-N 2.97Å
179	A	89.5	Confident	89.7	Confident	2 Å²	2	23.2 Å²	23.2	2%	0.017	12%	0.121	C	C	.	.	H	α-helix	trans	-64.2	-46.8	178.2	0	0	0	0	0	112	E175 F176 C183 I628	E175-A179 WeakPolarHBondContact O-CB 3.41Å; E175-A179 PolarHBondContact O-N 2.76Å; F176-A179 PolarHBondContact O-N 3.38Å; A179-C183 PolarHBondContact O-N 3.09Å; A179-C183 PolarHBondContact O-SG 3.5Å; A179-I628 HydrophobicContact CB-CG2 4.42Å
180	V	91.5	Very high	90	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.018	12%	0.124	C	C	.	.	H	α-helix	trans	-62.5	-45.1	175.7	172.6	0	0	0	0	110.7	I168 F176 L182 C183 F184 F571 V572	I168-V180 HydrophobicContact CD1-CG1 4.21Å; I168-V180 HydrophobicContact CG2-CG1 4.37Å; F176-V180 VanDerWaalsContact O-CB 3.24Å; F176-V180 WeakPolarHBondContact O-CB 3.2Å; F176-V180 WeakPolarHBondContact O-CG2 3.41Å; F176-V180 PolarHBondContact O-N 3Å; V180-L182 PolarHBondContact O-N 3.5Å; V180-C183 PolarHBondContact O-N 3.02Å; V180-F184 VanDerWaalsContact O-CB 3.32Å; V180-F184 WeakPolarHBondContact O-CB 3.28Å; V180-F184 PolarHBondContact O-N 2.92Å; V180-F571 HydrophobicContact CG2-CB 3.66Å; V180-V572 HydrophobicContact CG1-CG2 3.92Å; V180-V572 HydrophobicContact CG2-CG2 4.28Å
181	G	91.4	Very high	90.2	Very high	3 Å²	3	17.6 Å²	17.6	3%	0.031	10%	0.1	C	C	.	.	H	α-helix	trans	-60.2	-43.4	179.3	0	0	0	0	0	113.3	G177 G178 F184 Y185 I513	G177-G181 WeakPolarHBondContact O-CA 3.36Å; G177-G181 PolarHBondContact O-N 2.88Å; G178-G181 PolarHBondContact O-N 2.64Å; G181-F184 PolarHBondContact O-N 3.39Å; G181-Y185 WeakPolarHBondContact O-CB 3.41Å; G181-Y185 PolarHBondContact O-N 3.17Å; G181-I513 VanDerWaalsContact C-CD1 3.48Å
182	L	91.4	Very high	90.5	Very high	25 Å²	25	16.6 Å²	16.6	13%	0.131	9%	0.093	C	C	.	.	H	α-helix	trans	-67.5	-38.5	177.2	-72.8	170.4	0	0	0	112.5	G178 V180 Y185 L186 I513 L522 I628	G178-L182 WeakPolarHBondContact O-CB 3.47Å; G178-L182 WeakPolarHBondContact O-CG 3.44Å; G178-L182 PolarHBondContact O-N 2.97Å; V180-L182 PolarHBondContact O-N 3.5Å; L182-Y185 PolarHBondContact O-N 2.85Å; L182-L186 WeakPolarHBondContact O-CG 3.47Å; L182-L186 PolarHBondContact O-N 2.98Å; L182-L186 VanDerWaalsContact O-N 3.11Å; L182-I513 HydrophobicContact CD2-CD1 4.36Å; L182-I513 HydrophobicContact CD2-CG2 4.23Å; L182-I513 HydrophobicContact CG-CD1 4.5Å; L182-L522 HydrophobicContact CD2-CD1 3.83Å; L182-I628 HydrophobicContact CD1-CG2 3.81Å
183	C	91	Very high	91	Very high	8 Å²	8	16.2 Å²	16.2	5%	0.054	9%	0.091	C	C	.	.	H	α-helix	trans	-66.5	-42.3	174.8	-61.1	0	0	0	0	111.6	A179 V180 Y185 L186 G187 M567 C568	A179-C183 PolarHBondContact O-N 3.09Å; A179-C183 PolarHBondContact O-SG 3.5Å; V180-C183 PolarHBondContact O-N 3.02Å; C183-Y185 VanDerWaalsContact C-N 3.34Å; C183-Y185 PolarHBondContact O-N 2.9Å; C183-L186 PolarHBondContact O-N 2.76Å; C183-G187 PolarHBondContact O-N 2.96Å; C183-M567 HydrophobicContact CB-SD 4.46Å; C183-M567 PolarHBondContact SG-SD 3.17Å; C183-C568 HydrophobicContact CB-CB 4.31Å
184	F	92.2	Very high	91.4	Very high	22 Å²	22	15.4 Å²	15.4	10%	0.096	8%	0.083	C	C	.	.	H	α-helix	trans	-66.1	-34.5	176.4	-175.3	-131.3	0	0	0	112.4	V180 G181 T188 M415 L509 F565	V180-F184 VanDerWaalsContact O-CB 3.32Å; V180-F184 WeakPolarHBondContact O-CB 3.28Å; V180-F184 PolarHBondContact O-N 2.92Å; G181-F184 PolarHBondContact O-N 3.39Å; F184-T188 VanDerWaalsContact O-CB 3.32Å; F184-T188 WeakPolarHBondContact O-CB 3.34Å; F184-T188 PolarHBondContact O-N 3.04Å; F184-T188 PolarHBondContact O-OG1 3.33Å; F184-M415 HydrophobicContact CD1-SD 4.2Å; F184-M415 HydrophobicContact CD2-SD 3.84Å; F184-M415 HydrophobicContact CE1-CB 4.4Å; F184-M415 HydrophobicContact CE1-SD 4.18Å; F184-M415 HydrophobicContact CE2-CB 4.08Å; F184-M415 HydrophobicContact CE2-CG 4.44Å; F184-M415 HydrophobicContact CE2-SD 3.8Å; F184-M415 HydrophobicContact CG-SD 4.06Å; F184-M415 HydrophobicContact CZ-CB 3.76Å; F184-M415 HydrophobicContact CZ-CG 4.47Å; F184-M415 HydrophobicContact CZ-SD 4Å; F184-L509 HydrophobicContact CB-CD2 4.16Å; F184-L509 HydrophobicContact CD1-CD1 4.28Å; F184-L509 HydrophobicContact CD1-CD2 3.35Å; F184-L509 HydrophobicContact CD1-CG 4.46Å; F184-L509 HydrophobicContact CE1-CD2 4Å; F184-L509 HydrophobicContact CG-CD2 4.01Å; F184-F565 HydrophobicContact CD2-CD1 4.39Å; F184-F565 AromaticContact CD2-CE1 3.75Å; F184-F565 HydrophobicContact CD2-CE1 3.75Å; F184-F565 AromaticContact CE2-CE1 3.83Å; F184-F565 HydrophobicContact CE2-CE1 3.83Å
185	Y	93.8	Very high	91.8	Very high	8 Å²	8	13.4 Å²	13.4	3%	0.031	7%	0.067	C	C	.	.	H	α-helix	trans	-61.1	-52.1	171.5	169.7	-109.4	0	0	0	112.1	G181 L182 C183 T188 T189 A506 L510 T541 I544	G181-Y185 WeakPolarHBondContact O-CB 3.41Å; G181-Y185 PolarHBondContact O-N 3.17Å; L182-Y185 PolarHBondContact O-N 2.85Å; C183-Y185 VanDerWaalsContact C-N 3.34Å; C183-Y185 PolarHBondContact O-N 2.9Å; Y185-T188 PolarHBondContact O-N 3.22Å; Y185-T189 WeakPolarHBondContact O-CB 3.48Å; Y185-T189 PolarHBondContact O-N 3.47Å; Y185-T189 PolarHBondContact O-OG1 2.93Å; Y185-A506 HydrophobicContact CD2-CB 3.83Å; Y185-A506 VanDerWaalsContact CD2-O 3.24Å; Y185-A506 WeakPolarHBondContact CD2-O 3.39Å; Y185-A506 HydrophobicContact CE2-CB 3.85Å; Y185-A506 WeakPolarHBondContact CE2-O 3.38Å; Y185-L510 HydrophobicContact CD2-CB 3.93Å; Y185-L510 HydrophobicContact CE1-CD2 4.19Å; Y185-L510 HydrophobicContact CE2-CB 3.89Å; Y185-L510 HydrophobicContact CE2-CD2 4.08Å; Y185-L510 HydrophobicContact CG-CB 4.47Å; Y185-T541 WeakPolarHBondContact CE2-OG1 3.25Å; Y185-T541 PolarHBondContact OH-OG1 3.42Å; Y185-I544 HydrophobicContact CE1-CD1 4.1Å
186	L	92.8	Very high	92.2	Very high	56 Å²	56	10.9 Å²	10.9	29%	0.293	6%	0.056	S	C	.	.	H	α-helix	trans	-62.5	-46.2	178.9	-67.8	174.4	0	0	0	111.4	L182 C183 T188 T189 F190 I544 F564	L182-L186 WeakPolarHBondContact O-CG 3.47Å; L182-L186 PolarHBondContact O-N 2.98Å; L182-L186 VanDerWaalsContact O-N 3.11Å; C183-L186 PolarHBondContact O-N 2.76Å; L186-T188 PolarHBondContact O-N 3.24Å; L186-T189 PolarHBondContact O-N 3.01Å; L186-T189 VanDerWaalsContact O-N 3.14Å; L186-F190 WeakPolarHBondContact O-CD2 3.19Å; L186-F190 PolarHBondContact O-N 2.94Å; L186-I544 HydrophobicContact CD2-CD1 4.43Å; L186-F564 HydrophobicContact CB-CD1 3.92Å; L186-F564 HydrophobicContact CB-CD2 4.31Å; L186-F564 HydrophobicContact CB-CE1 3.98Å; L186-F564 HydrophobicContact CB-CE2 4.36Å; L186-F564 HydrophobicContact CB-CG 4.1Å; L186-F564 HydrophobicContact CB-CZ 4.2Å; L186-F564 HydrophobicContact CD1-CD1 4.22Å; L186-F564 HydrophobicContact CD1-CE1 3.68Å; L186-F564 HydrophobicContact CD1-CZ 4.15Å; L186-F564 HydrophobicContact CG-CE1 4.48Å
187	G	92.5	Very high	92.6	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-57.6	-46.3	176.5	0	0	0	0	0	113	C183 T189 A191 F565	C183-G187 PolarHBondContact O-N 2.96Å; G187-T189 VanDerWaalsContact C-N 3.3Å; G187-T189 PolarHBondContact O-N 2.77Å; G187-A191 WeakPolarHBondContact O-CB 3.46Å; G187-A191 PolarHBondContact O-N 3.28Å; G187-F565 WeakPolarHBondContact O-CE2 3.39Å
188	T	93	Very high	92.8	Very high	19 Å²	19	9.5 Å²	9.5	12%	0.117	5%	0.05	C	C	.	.	H	α-helix	trans	-66.6	-32.1	177.3	-52.7	0	0	0	0	112.1	F184 Y185 L186 A191 G192 A506	F184-T188 VanDerWaalsContact O-CB 3.32Å; F184-T188 WeakPolarHBondContact O-CB 3.34Å; F184-T188 PolarHBondContact O-N 3.04Å; F184-T188 PolarHBondContact O-OG1 3.33Å; Y185-T188 PolarHBondContact O-N 3.22Å; L186-T188 PolarHBondContact O-N 3.24Å; T188-A191 WeakPolarHBondContact O-CB 3.27Å; T188-A191 PolarHBondContact O-N 3.1Å; T188-G192 PolarHBondContact O-N 2.8Å; T188-G192 VanDerWaalsContact O-N 3.16Å; T188-A506 HydrophobicContact CG2-CB 4.02Å
189	T	94.9	Very high	93	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.006	5%	0.051	C	C	.	.	H	α-helix	trans	-71	-46.7	178.4	-54	0	0	0	0	111.4	Y185 L186 G187 A191 G192 A193 T541 I544 C545	Y185-T189 WeakPolarHBondContact O-CB 3.48Å; Y185-T189 PolarHBondContact O-N 3.47Å; Y185-T189 PolarHBondContact O-OG1 2.93Å; L186-T189 PolarHBondContact O-N 3.01Å; L186-T189 VanDerWaalsContact O-N 3.14Å; G187-T189 VanDerWaalsContact C-N 3.3Å; G187-T189 PolarHBondContact O-N 2.77Å; T189-A191 PolarHBondContact O-N 3.22Å; T189-G192 PolarHBondContact O-N 3Å; T189-G192 VanDerWaalsContact O-N 3.14Å; T189-A193 PolarHBondContact O-N 3.07Å; T189-T541 HydrophobicContact CG2-CG2 3.71Å; T189-T541 WeakPolarHBondContact CG2-O 3.33Å; T189-I544 HydrophobicContact CG2-CB 3.67Å; T189-I544 HydrophobicContact CG2-CG2 3.55Å; T189-C545 PolarHBondContact O-SG 3.13Å
190	F	94.4	Very high	93.2	Very high	25 Å²	25	9.6 Å²	9.6	11%	0.11	5%	0.05	C	C	.	.	H	α-helix	trans	-63.5	-24.7	171.2	-77.2	-73.7	0	0	0	112.6	L186 A193 M194 I544 I560 L561 F564	L186-F190 WeakPolarHBondContact O-CD2 3.19Å; L186-F190 PolarHBondContact O-N 2.94Å; F190-A193 PolarHBondContact O-N 3.46Å; F190-M194 WeakPolarHBondContact O-CB 3.38Å; F190-M194 PolarHBondContact O-N 3.02Å; F190-I544 HydrophobicContact CE2-CG2 4.25Å; F190-I544 HydrophobicContact CZ-CG2 4.29Å; F190-I560 HydrophobicContact CD1-CG2 4.5Å; F190-I560 HydrophobicContact CE1-CG2 4.48Å; F190-I560 HydrophobicContact CZ-CG2 4.49Å; F190-L561 HydrophobicContact CB-CB 4.29Å; F190-L561 HydrophobicContact CB-CD1 4.48Å; F190-F564 HydrophobicContact CD2-CD2 4.01Å; F190-F564 AromaticContact CD2-CE2 3.66Å; F190-F564 HydrophobicContact CD2-CE2 3.66Å; F190-F564 HydrophobicContact CE2-CD2 4.44Å; F190-F564 AromaticContact CE2-CE2 3.65Å; F190-F564 HydrophobicContact CE2-CE2 3.65Å; F190-F564 HydrophobicContact CE2-CZ 4.3Å
191	A	93.3	Very high	93.2	Very high	5 Å²	5	10 Å²	10	4%	0.041	5%	0.052	C	C	.	.	H	α-helix	trans	-66.7	-41.6	174	0	0	0	0	0	111.1	G187 T188 T189 A193 M194 Y195 L561	G187-A191 WeakPolarHBondContact O-CB 3.46Å; G187-A191 PolarHBondContact O-N 3.28Å; T188-A191 WeakPolarHBondContact O-CB 3.27Å; T188-A191 PolarHBondContact O-N 3.1Å; T189-A191 PolarHBondContact O-N 3.22Å; A191-A193 VanDerWaalsContact C-N 3.34Å; A191-A193 PolarHBondContact O-N 3.24Å; A191-M194 PolarHBondContact O-N 3.42Å; A191-Y195 HydrophobicContact CB-CD2 4.4Å; A191-Y195 HydrophobicContact CB-CE2 4.02Å; A191-Y195 WeakPolarHBondContact O-CD2 3.36Å; A191-Y195 PolarHBondContact O-N 3.24Å; A191-L561 HydrophobicContact CB-CD1 3.49Å; A191-L561 VanDerWaalsContact CB-CD1 3.49Å; A191-L561 VanDerWaalsContact N-CD1 3.33Å
192	G	93.3	Very high	93.3	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.01	5%	0.05	C	C	.	.	H	α-helix	trans	-54.8	-47.7	171.9	0	0	0	0	0	112.3	T188 T189 Y195 I196	T188-G192 PolarHBondContact O-N 2.8Å; T188-G192 VanDerWaalsContact O-N 3.16Å; T189-G192 PolarHBondContact O-N 3Å; T189-G192 VanDerWaalsContact O-N 3.14Å; G192-Y195 PolarHBondContact O-N 3.19Å; G192-I196 WeakPolarHBondContact O-CD1 3.23Å; G192-I196 VanDerWaalsContact O-CG1 3.26Å; G192-I196 WeakPolarHBondContact O-CG1 3.24Å; G192-I196 PolarHBondContact O-N 3.28Å
193	A	94.9	Very high	93.3	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-62.1	-47.1	176.2	0	0	0	0	0	112.6	T189 F190 A191 Y195 I196 L197 C545 I549	T189-A193 PolarHBondContact O-N 3.07Å; F190-A193 PolarHBondContact O-N 3.46Å; A191-A193 VanDerWaalsContact C-N 3.34Å; A191-A193 PolarHBondContact O-N 3.24Å; A193-Y195 PolarHBondContact O-N 2.97Å; A193-I196 PolarHBondContact O-N 2.87Å; A193-L197 WeakPolarHBondContact O-CG 3.4Å; A193-L197 PolarHBondContact O-N 3.23Å; A193-C545 WeakPolarHBondContact CB-O 3.27Å; A193-I549 HydrophobicContact CB-CG1 4.25Å
194	M	94.1	Very high	93.2	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.01	5%	0.052	C	C	.	.	H	α-helix	trans	-58.4	-43.9	177.9	-177.9	-173.9	172.3	0	0	112.3	V114 I115 F190 A191 G198 P409 L554 V557 A558 L561	V114-M194 HydrophobicContact CG1-CE 4Å; I115-M194 HydrophobicContact CD1-CE 3.49Å; I115-M194 VanDerWaalsContact CD1-CE 3.49Å; I115-M194 HydrophobicContact CG1-CE 3.59Å; F190-M194 WeakPolarHBondContact O-CB 3.38Å; F190-M194 PolarHBondContact O-N 3.02Å; A191-M194 PolarHBondContact O-N 3.42Å; M194-G198 PolarHBondContact O-N 3.39Å; M194-P409 HydrophobicContact CE-CB 3.89Å; M194-P409 HydrophobicContact CE-CG 4.11Å; M194-P409 HydrophobicContact SD-CB 3.99Å; M194-P409 HydrophobicContact SD-CG 4.21Å; M194-L554 HydrophobicContact CE-CD2 4.24Å; M194-L554 HydrophobicContact CG-CG 4.36Å; M194-V557 HydrophobicContact CB-CG1 4.12Å; M194-A558 HydrophobicContact CE-CB 4.02Å; M194-A558 HydrophobicContact SD-CB 4.26Å; M194-L561 HydrophobicContact SD-CD1 4.28Å
195	Y	94.3	Very high	92.9	Very high	18 Å²	18	10.5 Å²	10.5	7%	0.071	6%	0.058	C	C	.	.	H	α-helix	trans	-69.4	-37.9	176.8	-64.7	-44.4	0	0	0	112.3	V114 A191 G192 A193 G198 T199 T495 A498	V114-Y195 HydrophobicContact CB-CD1 4.42Å; V114-Y195 HydrophobicContact CG1-CD1 4.14Å; V114-Y195 HydrophobicContact CG1-CE1 4.33Å; A191-Y195 HydrophobicContact CB-CD2 4.4Å; A191-Y195 HydrophobicContact CB-CE2 4.02Å; A191-Y195 WeakPolarHBondContact O-CD2 3.36Å; A191-Y195 PolarHBondContact O-N 3.24Å; G192-Y195 PolarHBondContact O-N 3.19Å; A193-Y195 PolarHBondContact O-N 2.97Å; Y195-G198 PolarHBondContact O-N 2.88Å; Y195-T199 WeakPolarHBondContact O-CB 3.38Å; Y195-T199 PolarHBondContact O-N 2.95Å; Y195-T199 PolarHBondContact O-OG1 2.84Å; Y195-T495 HydrophobicContact CD1-CG2 4.07Å; Y195-T495 HydrophobicContact CG-CG2 4.42Å; Y195-T495 WeakPolarHBondContact O-CG2 3.3Å; Y195-A498 HydrophobicContact CD1-CB 4.11Å; Y195-A498 HydrophobicContact CD2-CB 3.67Å; Y195-A498 HydrophobicContact CE1-CB 4.17Å; Y195-A498 HydrophobicContact CE2-CB 3.73Å; Y195-A498 HydrophobicContact CG-CB 3.88Å
196	I	94.8	Very high	92.7	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-62.8	-47.8	175.1	-71	164.4	0	0	0	110.6	G192 A193 G198 T199 I200 V237 L238 M241 I549	G192-I196 WeakPolarHBondContact O-CD1 3.23Å; G192-I196 VanDerWaalsContact O-CG1 3.26Å; G192-I196 WeakPolarHBondContact O-CG1 3.24Å; G192-I196 PolarHBondContact O-N 3.28Å; A193-I196 PolarHBondContact O-N 2.87Å; I196-G198 VanDerWaalsContact C-N 3.34Å; I196-G198 PolarHBondContact O-N 3Å; I196-T199 WeakPolarHBondContact O-CB 3.47Å; I196-T199 PolarHBondContact O-N 2.86Å; I196-T199 VanDerWaalsContact O-N 3.16Å; I196-I200 HydrophobicContact CG2-CD1 3.79Å; I196-I200 WeakPolarHBondContact O-CD1 3.43Å; I196-I200 WeakPolarHBondContact O-CG1 3.48Å; I196-I200 PolarHBondContact O-N 2.99Å; I196-I200 VanDerWaalsContact O-N 3.13Å; I196-V237 HydrophobicContact CG1-CG1 4.49Å; I196-V237 HydrophobicContact CG2-CB 4.14Å; I196-V237 HydrophobicContact CG2-CG1 3.97Å; I196-L238 HydrophobicContact CD1-CB 4.1Å; I196-L238 HydrophobicContact CD1-CD1 3.59Å; I196-L238 HydrophobicContact CD1-CG 4.46Å; I196-M241 HydrophobicContact CD1-SD 4Å; I196-M241 HydrophobicContact CG1-CE 4.44Å; I196-M241 HydrophobicContact CG1-SD 3.73Å; I196-I549 HydrophobicContact CB-CD1 4.25Å; I196-I549 HydrophobicContact CD1-CD1 4.24Å; I196-I549 HydrophobicContact CG2-CD1 3.76Å; I196-I549 HydrophobicContact CG2-CG1 4.37Å
197	L	94.3	Very high	92.5	Very high	2 Å²	2	10.5 Å²	10.5	1%	0.01	6%	0.057	C	C	.	.	H	α-helix	trans	-57.1	-46.2	174.7	-71	174.3	0	0	0	111.6	A193 T199 I200 E201 M230 I549 V557	A193-L197 WeakPolarHBondContact O-CG 3.4Å; A193-L197 PolarHBondContact O-N 3.23Å; L197-T199 VanDerWaalsContact C-N 3.33Å; L197-T199 PolarHBondContact O-N 2.7Å; L197-I200 PolarHBondContact O-N 3.16Å; L197-I200 VanDerWaalsContact O-N 3.13Å; L197-E201 PolarHBondContact O-N 3.07Å; L197-M230 HydrophobicContact CD2-CB 4.48Å; L197-I549 HydrophobicContact CG-CG1 4.49Å; L197-V557 HydrophobicContact CD1-CG2 4.08Å
198	G	93	Very high	92.3	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-61.9	-36.4	176.5	0	0	0	0	0	113.9	M194 Y195 I196 I200 E201 I202	M194-G198 PolarHBondContact O-N 3.39Å; Y195-G198 PolarHBondContact O-N 2.88Å; I196-G198 VanDerWaalsContact C-N 3.34Å; I196-G198 PolarHBondContact O-N 3Å; G198-I200 VanDerWaalsContact C-N 3.29Å; G198-I200 PolarHBondContact O-N 3.27Å; G198-E201 PolarHBondContact O-N 3.46Å; G198-I202 WeakPolarHBondContact O-CD1 3.4Å; G198-I202 VanDerWaalsContact O-CG1 3.27Å; G198-I202 WeakPolarHBondContact O-CG1 3.42Å; G198-I202 PolarHBondContact O-N 3.11Å; G198-I202 VanDerWaalsContact O-N 3.09Å
199	T	93.2	Very high	91.8	Very high	4 Å²	4	19 Å²	19	3%	0.025	10%	0.101	C	C	.	.	H	α-helix	trans	-64.2	-36.1	175.3	-56.9	0	0	0	0	111.4	Y195 I196 L197 L203 F492 T495 C496	Y195-T199 WeakPolarHBondContact O-CB 3.38Å; Y195-T199 PolarHBondContact O-N 2.95Å; Y195-T199 PolarHBondContact O-OG1 2.84Å; I196-T199 WeakPolarHBondContact O-CB 3.47Å; I196-T199 PolarHBondContact O-N 2.86Å; I196-T199 VanDerWaalsContact O-N 3.16Å; L197-T199 VanDerWaalsContact C-N 3.33Å; L197-T199 PolarHBondContact O-N 2.7Å; T199-L203 WeakPolarHBondContact O-CB 3.47Å; T199-L203 PolarHBondContact O-N 3.24Å; T199-F492 HydrophobicContact CG2-CD2 3.83Å; T199-F492 HydrophobicContact CG2-CE2 3.52Å; T199-F492 HydrophobicContact CG2-CZ 4.16Å; T199-T495 WeakPolarHBondContact OG1-CG2 3.42Å; T199-C496 HydrophobicContact CG2-CB 4.24Å; T199-C496 PolarHBondContact OG1-N 2.89Å
200	I	93.8	Very high	91.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-81.2	-34.5	-179.3	-63	155.1	0	0	0	111.4	I196 L197 G198 I202 L203 L204 M230 Y233 G234 V237	I196-I200 HydrophobicContact CG2-CD1 3.79Å; I196-I200 WeakPolarHBondContact O-CD1 3.43Å; I196-I200 WeakPolarHBondContact O-CG1 3.48Å; I196-I200 PolarHBondContact O-N 2.99Å; I196-I200 VanDerWaalsContact O-N 3.13Å; L197-I200 PolarHBondContact O-N 3.16Å; L197-I200 VanDerWaalsContact O-N 3.13Å; G198-I200 VanDerWaalsContact C-N 3.29Å; G198-I200 PolarHBondContact O-N 3.27Å; I200-I202 VanDerWaalsContact C-N 3.28Å; I200-I202 PolarHBondContact O-N 2.96Å; I200-L203 PolarHBondContact O-N 2.93Å; I200-L203 VanDerWaalsContact O-N 3.16Å; I200-L204 HydrophobicContact CG2-CD1 3.7Å; I200-L204 HydrophobicContact CG2-CG 4.02Å; I200-L204 WeakPolarHBondContact O-CB 3.31Å; I200-L204 PolarHBondContact O-N 3.45Å; I200-M230 HydrophobicContact CB-SD 4.2Å; I200-M230 HydrophobicContact CG2-SD 3.64Å; I200-Y233 VanDerWaalsContact CD1-C 3.49Å; I200-G234 VanDerWaalsContact CD1-N 3.3Å; I200-V237 HydrophobicContact CD1-CB 4.26Å; I200-V237 HydrophobicContact CD1-CG2 4.2Å; I200-V237 HydrophobicContact CG1-CG2 4.11Å
201	E	91.4	Very high	90.7	Very high	11 Å²	11	25.5 Å²	25.5	5%	0.051	15%	0.147	C	C	.	.	H	α-helix	trans	-56.9	-45.1	168.9	-168.4	-179.9	139.5	0	0	110.3	L118 R119 L197 G198 L203 A205 M230	L118-E201 HydrophobicContact CD2-CB 4.24Å; L118-E201 HydrophobicContact CD2-CG 4.21Å; R119-E201 IonicContact CZ-OE1 3.93Å; R119-E201 IonicContact CZ-OE2 3.14Å; R119-E201 IonicContact NH1-OE1 2.64Å; R119-E201 PolarHBondContact NH1-OE1 3.19Å; R119-E201 IonicContact NH1-OE2 2.72Å; R119-E201 IonicContact NH2-OE1 2.74Å; R119-E201 PolarHBondContact NH2-OE1 3.05Å; R119-E201 IonicContact NH2-OE2 2.74Å; R119-E201 PolarHBondContact NH2-OE2 3.12Å; L197-E201 PolarHBondContact O-N 3.07Å; G198-E201 PolarHBondContact O-N 3.46Å; E201-L203 PolarHBondContact O-N 2.94Å; E201-A205 WeakPolarHBondContact O-CB 3.44Å; E201-A205 PolarHBondContact O-N 3.11Å; E201-M230 HydrophobicContact CB-CE 4.02Å; E201-M230 HydrophobicContact CG-CE 4.17Å
202	I	92.1	Very high	90.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.2	-42.3	174.8	-61.3	161	0	0	0	111.9	L118 G198 I200 Y206 L207 V488 F492	L118-I202 HydrophobicContact CD1-CD1 3.82Å; L118-I202 HydrophobicContact CD1-CG1 3.77Å; L118-I202 HydrophobicContact CD2-CD1 4.46Å; L118-I202 HydrophobicContact CD2-CG1 3.95Å; L118-I202 HydrophobicContact CG-CG1 4.38Å; G198-I202 WeakPolarHBondContact O-CD1 3.4Å; G198-I202 VanDerWaalsContact O-CG1 3.27Å; G198-I202 WeakPolarHBondContact O-CG1 3.42Å; G198-I202 PolarHBondContact O-N 3.11Å; G198-I202 VanDerWaalsContact O-N 3.09Å; I200-I202 VanDerWaalsContact C-N 3.28Å; I200-I202 PolarHBondContact O-N 2.96Å; I202-Y206 PolarHBondContact O-N 3.18Å; I202-Y206 VanDerWaalsContact O-N 3.13Å; I202-L207 HydrophobicContact CG2-CD1 3.73Å; I202-L207 PolarHBondContact O-N 3.08Å; I202-V488 HydrophobicContact CG2-CG1 4.31Å; I202-F492 HydrophobicContact CG2-CB 4Å; I202-F492 HydrophobicContact CG2-CD2 4.32Å
203	L	91.9	Very high	89.9	Confident	29 Å²	29	31 Å²	31	15%	0.152	18%	0.178	C	C	.	.	I	π-helix	trans	-64.6	-46.5	-178.4	-174.9	67	0	0	0	112.7	T199 I200 E201 L207 F208 M211 F492	T199-L203 WeakPolarHBondContact O-CB 3.47Å; T199-L203 PolarHBondContact O-N 3.24Å; I200-L203 PolarHBondContact O-N 2.93Å; I200-L203 VanDerWaalsContact O-N 3.16Å; E201-L203 PolarHBondContact O-N 2.94Å; L203-L207 HydrophobicContact CD1-CB 4.38Å; L203-L207 HydrophobicContact CD1-CD2 4.49Å; L203-F208 HydrophobicContact CD1-CD2 3.97Å; L203-F208 PolarHBondContact O-N 3.49Å; L203-M211 HydrophobicContact CD1-CE 4.43Å; L203-M211 HydrophobicContact CG-CE 4.45Å; L203-F492 HydrophobicContact CB-CE2 4.36Å; L203-F492 HydrophobicContact CD1-CE2 4.24Å
204	L	90.2	Very high	89.5	Confident	13 Å²	13	35.5 Å²	35.5	7%	0.068	20%	0.198	C	C	.	.	I	π-helix	trans	-83.4	-38	-174.9	-66.9	179.3	0	0	0	112.7	I200 P209 N229 M230 Y233	I200-L204 HydrophobicContact CG2-CD1 3.7Å; I200-L204 HydrophobicContact CG2-CG 4.02Å; I200-L204 WeakPolarHBondContact O-CB 3.31Å; I200-L204 PolarHBondContact O-N 3.45Å; L204-P209 WeakPolarHBondContact O-CA 3.3Å; L204-N229 HydrophobicContact CD1-CB 3.9Å; L204-M230 HydrophobicContact CD1-CE 4.37Å; L204-M230 HydrophobicContact CD1-SD 4.15Å; L204-Y233 HydrophobicContact CD1-CD2 4.08Å; L204-Y233 HydrophobicContact CD2-CD2 4.07Å; L204-Y233 HydrophobicContact CD2-CE2 3.98Å
205	A	86.1	Confident	88.7	Confident	27 Å²	27	42.3 Å²	42.3	22%	0.223	23%	0.228	C	C	.	.	I	π-helix	trans	-78.5	-44.9	179.9	0	0	0	0	0	112.4	E201	E201-A205 WeakPolarHBondContact O-CB 3.44Å; E201-A205 PolarHBondContact O-N 3.11Å
206	Y	89.3	Confident	87.6	Confident	20 Å²	20	43.6 Å²	43.6	8%	0.078	24%	0.242	C	C	.	.	I	π-helix	trans	-114.3	-27.5	-163.8	-52.1	-61.4	0	0	0	115.6	I202 F466 G472 L474	I202-Y206 PolarHBondContact O-N 3.18Å; I202-Y206 VanDerWaalsContact O-N 3.13Å; Y206-F466 WeakPolarHBondContact CE1-O 3.45Å; Y206-G472 WeakPolarHBondContact CD1-O 3.23Å; Y206-L474 HydrophobicContact CD1-CB 3.94Å; Y206-L474 HydrophobicContact CD2-CB 4.24Å; Y206-L474 HydrophobicContact CD2-CD1 3.76Å; Y206-L474 HydrophobicContact CD2-CG 4.37Å; Y206-L474 HydrophobicContact CE1-CB 3.8Å; Y206-L474 HydrophobicContact CE1-CG 4.45Å; Y206-L474 HydrophobicContact CE2-CB 4.15Å; Y206-L474 HydrophobicContact CE2-CD1 3.69Å; Y206-L474 HydrophobicContact CE2-CG 4.02Å; Y206-L474 HydrophobicContact CG-CB 4.16Å; Y206-L474 HydrophobicContact CG-CD1 4.42Å
207	L	88.8	Confident	86	Confident	44 Å²	44	53 Å²	53	23%	0.23	29%	0.286	C	S	.	.	I	π-helix	trans	-90	-55.4	175.3	-84.1	89	0	0	0	112.8	I202 L203 V488	I202-L207 HydrophobicContact CG2-CD1 3.73Å; I202-L207 PolarHBondContact O-N 3.08Å; L203-L207 HydrophobicContact CD1-CB 4.38Å; L203-L207 HydrophobicContact CD1-CD2 4.49Å; L207-V488 HydrophobicContact CD1-CG1 3.51Å; L207-V488 HydrophobicContact CG-CG1 4.25Å
208	F	88.3	Confident	84.4	Confident	112 Å²	112	58.2 Å²	58.2	49%	0.491	31%	0.314	S	S	.	.			trans	-141.3	65.6	-166.7	-61.9	-64.5	0	0	0	113.3	L203 A210 M211	L203-F208 HydrophobicContact CD1-CD2 3.97Å; L203-F208 PolarHBondContact O-N 3.49Å; F208-A210 PolarHBondContact O-N 2.87Å; F208-A210 VanDerWaalsContact O-N 3.1Å; F208-M211 HydrophobicContact CB-CB 4.46Å; F208-M211 HydrophobicContact CB-CE 3.61Å; F208-M211 HydrophobicContact CB-CG 4.07Å; F208-M211 HydrophobicContact CD2-CE 3.8Å; F208-M211 HydrophobicContact CG-CE 3.95Å; F208-M211 WeakPolarHBondContact O-CB 3.47Å; F208-M211 PolarHBondContact O-N 2.98Å
209	P	82.6	Confident	82.8	Confident	84 Å²	84	60.2 Å²	60.2	55%	0.545	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-59.5	-24.5	178.3	24.3	-34.7	0	0	0	113.8	L204 M211 A212	L204-P209 WeakPolarHBondContact O-CA 3.3Å; P209-M211 PolarHBondContact O-N 3.09Å; P209-A212 PolarHBondContact O-N 3.33Å
210	A	81.8	Confident	81.2	Confident	83 Å²	83	65 Å²	65	69%	0.686	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-63.2	-21.2	174.9	0	0	0	0	0	114.3	F208 A212	F208-A210 PolarHBondContact O-N 2.87Å; F208-A210 VanDerWaalsContact O-N 3.1Å; A210-A212 VanDerWaalsContact C-N 3.32Å; A210-A212 PolarHBondContact O-N 3.05Å
211	M	84.1	Confident	79.9	Confident	80 Å²	80	66.3 Å²	66.3	39%	0.394	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-79.4	-2	-178.7	-73.2	-154.7	-65.5	0	0	114.9	L203 F208 P209 I213 Y233	L203-M211 HydrophobicContact CD1-CE 4.43Å; L203-M211 HydrophobicContact CG-CE 4.45Å; F208-M211 HydrophobicContact CB-CB 4.46Å; F208-M211 HydrophobicContact CB-CE 3.61Å; F208-M211 HydrophobicContact CB-CG 4.07Å; F208-M211 HydrophobicContact CD2-CE 3.8Å; F208-M211 HydrophobicContact CG-CE 3.95Å; F208-M211 WeakPolarHBondContact O-CB 3.47Å; F208-M211 PolarHBondContact O-N 2.98Å; P209-M211 PolarHBondContact O-N 3.09Å; M211-I213 PolarHBondContact O-N 2.81Å; M211-I213 VanDerWaalsContact O-N 3.16Å; M211-Y233 PolarHBondContact O-OH 3.1Å
212	A	83.6	Confident	79	Confident	27 Å²	27	72.1 Å²	72.1	22%	0.223	40%	0.404	C	S	.	.			trans	-55.8	121.7	174.7	0	0	0	0	0	111.4	P209 A210 K215	P209-A212 PolarHBondContact O-N 3.33Å; A210-A212 VanDerWaalsContact C-N 3.32Å; A210-A212 PolarHBondContact O-N 3.05Å; A212-K215 HydrophobicContact CB-CG 4.34Å; A212-K215 WeakPolarHBondContact O-CE 3.41Å
213	I	85.6	Confident	78.1	Confident	95 Å²	95	74.8 Å²	74.8	49%	0.487	43%	0.427	S	S	.	.	S	Bend	trans	-78.4	-48.6	-177.2	-62.3	169.5	0	0	0	109.6	M211 N229 V232 Y233	M211-I213 PolarHBondContact O-N 2.81Å; M211-I213 VanDerWaalsContact O-N 3.16Å; I213-N229 PolarHBondContact N-OD1 3.26Å; I213-V232 HydrophobicContact CD1-CG1 4.13Å; I213-Y233 HydrophobicContact CD1-CE2 3.74Å; I213-Y233 HydrophobicContact CG1-CE2 3.98Å
214	F	85.8	Confident	77.6	Confident	95 Å²	95	76.1 Å²	76.1	42%	0.417	44%	0.442	S	S	.	.			trans	-92.3	119.6	172.6	-54.2	-73	0	0	0	108.7	A225 N228 N229 V232	F214-A225 HydrophobicContact CB-CB 4.18Å; F214-N228 HydrophobicContact CD2-CB 3.77Å; F214-N228 HydrophobicContact CE2-CB 4.09Å; F214-N228 HydrophobicContact CG-CB 4.38Å; F214-N229 WeakPolarHBondContact CD2-OD1 3.48Å; F214-N229 PolarHBondContact N-OD1 2.77Å; F214-N229 PolarHBondContact O-ND2 2.81Å; F214-V232 HydrophobicContact CE2-CG2 4.05Å
215	K	78.8	Confident	77.4	Confident	145 Å²	145	76.1 Å²	76.1	63%	0.63	44%	0.444	S	S	*	.			trans	-118.2	131.7	170.4	-62.2	-179.3	-176.5	177.7	0	106.9	A212	A212-K215 HydrophobicContact CB-CG 4.34Å; A212-K215 WeakPolarHBondContact O-CE 3.41Å
216	A	69.4	Low	77.3	Confident	44 Å²	44	77.7 Å²	77.7	36%	0.364	45%	0.447	S	S	.	.			trans	-79.6	151.4	176.1	0	0	0	0	0	110.2	E222 A225	A216-E222 HydrophobicContact CB-CB 4.36Å; A216-A225 HydrophobicContact CB-CB 4.24Å
217	E	62.2	Low	77.2	Confident	199 Å²	199	79.8 Å²	79.8	93%	0.93	46%	0.459	S	S	*	.	S	Bend	trans	-87.6	-29.3	172.4	-64	-176.7	155.3	0	0	111.5
218	D	60.8	Low	77.3	Confident	110 Å²	110	80.7 Å²	80.7	59%	0.588	46%	0.464	S	S	*	.	S	Bend	trans	-113.7	145.5	177.5	-50.9	-43.1	0	0	0	111.6	S220 G221	D218-S220 VanDerWaalsContact C-N 3.27Å; D218-S220 PolarHBondContact O-N 3.45Å; D218-G221 PolarHBondContact O-N 3.03Å
219	A	59	Low	77.5	Confident	43 Å²	43	75.6 Å²	75.6	36%	0.355	44%	0.442	S	S	.	.	H	α-helix	trans	-62.3	-32.4	-177.3	0	0	0	0	0	112.9	G221 E222 D388	A219-G221 PolarHBondContact O-N 2.96Å; A219-E222 WeakPolarHBondContact O-CB 3.43Å; A219-E222 PolarHBondContact O-N 2.87Å; A219-D388 VanDerWaalsContact CB-OD1 3.3Å; A219-D388 WeakPolarHBondContact CB-OD1 3.42Å
220	S	59.6	Low	77.9	Confident	105 Å²	105	72.1 Å²	72.1	73%	0.734	42%	0.419	S	S	*	.	H	α-helix	trans	-62.4	-22	175.5	70.2	0	0	0	0	114.2	D218	D218-S220 VanDerWaalsContact C-N 3.27Å; D218-S220 PolarHBondContact O-N 3.45Å
221	G	67.2	Low	78.5	Confident	27 Å²	27	72.2 Å²	72.2	28%	0.278	40%	0.402	S	S	.	.	H	α-helix	trans	-91.8	-12.4	177.7	0	0	0	0	0	114.7	D218 A219 A223 A224 A225	D218-G221 PolarHBondContact O-N 3.03Å; A219-G221 PolarHBondContact O-N 2.96Å; G221-A223 PolarHBondContact O-N 3.04Å; G221-A224 PolarHBondContact O-N 3.46Å; G221-A224 VanDerWaalsContact O-N 3.17Å; G221-A225 PolarHBondContact O-N 3.23Å
222	E	72.6	Confident	79	Confident	132 Å²	132	71.8 Å²	71.8	62%	0.617	40%	0.403	S	S	*	.	H	α-helix	trans	-64.1	-44.1	-168.5	-173.3	165	-160.5	0	0	112.8	A216 A219 A224 A225 M226	A216-E222 HydrophobicContact CB-CB 4.36Å; A219-E222 WeakPolarHBondContact O-CB 3.43Å; A219-E222 PolarHBondContact O-N 2.87Å; E222-A224 VanDerWaalsContact C-N 3.29Å; E222-A224 PolarHBondContact O-N 3.34Å; E222-A225 WeakPolarHBondContact O-CB 3.28Å; E222-A225 PolarHBondContact O-N 2.97Å; E222-A225 VanDerWaalsContact O-N 3.16Å; E222-M226 PolarHBondContact O-N 3.46Å
223	A	72.7	Confident	79.5	Confident	57 Å²	57	72.7 Å²	72.7	47%	0.471	40%	0.401	S	S	.	.	H	α-helix	trans	-59.9	-37.7	176	0	0	0	0	0	112.7	G221 M226 L227	G221-A223 PolarHBondContact O-N 3.04Å; A223-M226 PolarHBondContact O-N 3.44Å; A223-L227 WeakPolarHBondContact O-CG 3.46Å; A223-L227 PolarHBondContact O-N 3.44Å; A223-L227 VanDerWaalsContact O-N 3.12Å
224	A	81.4	Confident	80	Confident	56 Å²	56	68.1 Å²	68.1	46%	0.463	38%	0.378	S	S	.	.	H	α-helix	trans	-71.3	-37.2	177.2	0	0	0	0	0	112	G221 E222 N228	G221-A224 PolarHBondContact O-N 3.46Å; G221-A224 VanDerWaalsContact O-N 3.17Å; E222-A224 VanDerWaalsContact C-N 3.29Å; E222-A224 PolarHBondContact O-N 3.34Å; A224-N228 PolarHBondContact O-N 3.17Å; A224-N228 PolarHBondContact O-ND2 3.27Å
225	A	85.1	Confident	80.4	Confident	13 Å²	13	66 Å²	66	11%	0.107	37%	0.373	C	S	.	.	H	α-helix	trans	-63.8	-43.8	172.9	0	0	0	0	0	111.5	F214 A216 G221 E222 L227 N228 N229	F214-A225 HydrophobicContact CB-CB 4.18Å; A216-A225 HydrophobicContact CB-CB 4.24Å; G221-A225 PolarHBondContact O-N 3.23Å; E222-A225 WeakPolarHBondContact O-CB 3.28Å; E222-A225 PolarHBondContact O-N 2.97Å; E222-A225 VanDerWaalsContact O-N 3.16Å; A225-L227 PolarHBondContact O-N 3.21Å; A225-N228 PolarHBondContact O-N 3.24Å; A225-N229 PolarHBondContact O-N 3.39Å; A225-N229 PolarHBondContact O-ND2 2.92Å
226	M	84.4	Confident	81.2	Confident	60 Å²	60	63 Å²	63	30%	0.296	37%	0.369	S	S	.	.	H	α-helix	trans	-59.6	-46.3	176.7	-167.5	178.3	-169.5	0	0	111.9	E222 A223 N228 N229 M230 F466	E222-M226 PolarHBondContact O-N 3.46Å; A223-M226 PolarHBondContact O-N 3.44Å; M226-N228 VanDerWaalsContact C-N 3.31Å; M226-N228 PolarHBondContact O-N 2.91Å; M226-N229 WeakPolarHBondContact O-CB 3.39Å; M226-N229 PolarHBondContact O-N 3.01Å; M226-N229 VanDerWaalsContact O-N 3.16Å; M226-M230 HydrophobicContact CE-CE 3.67Å; M226-M230 HydrophobicContact CG-CE 4.21Å; M226-M230 WeakPolarHBondContact O-CG 3.28Å; M226-M230 PolarHBondContact O-N 3.23Å; M226-F466 HydrophobicContact CE-CE1 4.09Å; M226-F466 HydrophobicContact CE-CZ 4.45Å; M226-F466 HydrophobicContact SD-CZ 4.49Å
227	L	87.8	Confident	82.4	Confident	64 Å²	64	62.4 Å²	62.4	34%	0.335	36%	0.361	S	S	.	.	H	α-helix	trans	-59.9	-39	175.9	-70.3	169.3	0	0	0	112.5	A223 A225 M230 R231 A552	A223-L227 WeakPolarHBondContact O-CG 3.46Å; A223-L227 PolarHBondContact O-N 3.44Å; A223-L227 VanDerWaalsContact O-N 3.12Å; A225-L227 PolarHBondContact O-N 3.21Å; L227-M230 PolarHBondContact O-N 3.09Å; L227-R231 WeakPolarHBondContact O-CG 3.38Å; L227-R231 PolarHBondContact O-N 3.03Å; L227-R231 VanDerWaalsContact O-N 3.11Å; L227-A552 HydrophobicContact CB-CB 4.25Å; L227-A552 HydrophobicContact CD2-CB 3.89Å
228	N	91.3	Very high	84	Confident	63 Å²	63	53.2 Å²	53.2	34%	0.337	32%	0.318	S	S	.	.	H	α-helix	trans	-68.8	-34.7	176.2	-71.9	-29.1	0	0	0	112.7	F214 A224 A225 M226 R231 V232	F214-N228 HydrophobicContact CD2-CB 3.77Å; F214-N228 HydrophobicContact CE2-CB 4.09Å; F214-N228 HydrophobicContact CG-CB 4.38Å; A224-N228 PolarHBondContact O-N 3.17Å; A224-N228 PolarHBondContact O-ND2 3.27Å; A225-N228 PolarHBondContact O-N 3.24Å; M226-N228 VanDerWaalsContact C-N 3.31Å; M226-N228 PolarHBondContact O-N 2.91Å; N228-R231 PolarHBondContact O-N 3.1Å; N228-R231 PolarHBondContact OD1-NH1 3.35Å; N228-V232 PolarHBondContact O-N 2.9Å
229	N	91.5	Very high	85.6	Confident	6 Å²	6	51.9 Å²	51.9	3%	0.032	31%	0.314	C	S	.	.	H	α-helix	trans	-62.8	-44.9	170.2	-69.1	-51.8	0	0	0	111.3	L204 I213 F214 A225 M226 R231 V232 Y233	L204-N229 HydrophobicContact CD1-CB 3.9Å; I213-N229 PolarHBondContact N-OD1 3.26Å; F214-N229 WeakPolarHBondContact CD2-OD1 3.48Å; F214-N229 PolarHBondContact N-OD1 2.77Å; F214-N229 PolarHBondContact O-ND2 2.81Å; A225-N229 PolarHBondContact O-N 3.39Å; A225-N229 PolarHBondContact O-ND2 2.92Å; M226-N229 WeakPolarHBondContact O-CB 3.39Å; M226-N229 PolarHBondContact O-N 3.01Å; M226-N229 VanDerWaalsContact O-N 3.16Å; N229-R231 VanDerWaalsContact C-N 3.29Å; N229-R231 PolarHBondContact O-N 3.27Å; N229-V232 PolarHBondContact O-N 3.2Å; N229-Y233 WeakPolarHBondContact O-CD2 3.3Å; N229-Y233 PolarHBondContact O-N 3.24Å
230	M	91.1	Very high	87.3	Confident	11 Å²	11	53.6 Å²	53.6	5%	0.054	32%	0.323	C	S	.	.	H	α-helix	trans	-57.6	-39.4	177.2	-65.9	-64	176.4	0	0	112.4	L197 I200 E201 L204 M226 L227 G234 A552	L197-M230 HydrophobicContact CD2-CB 4.48Å; I200-M230 HydrophobicContact CB-SD 4.2Å; I200-M230 HydrophobicContact CG2-SD 3.64Å; E201-M230 HydrophobicContact CB-CE 4.02Å; E201-M230 HydrophobicContact CG-CE 4.17Å; L204-M230 HydrophobicContact CD1-CE 4.37Å; L204-M230 HydrophobicContact CD1-SD 4.15Å; M226-M230 HydrophobicContact CE-CE 3.67Å; M226-M230 HydrophobicContact CG-CE 4.21Å; M226-M230 WeakPolarHBondContact O-CG 3.28Å; M226-M230 PolarHBondContact O-N 3.23Å; L227-M230 PolarHBondContact O-N 3.09Å; M230-G234 VanDerWaalsContact O-CA 3.28Å; M230-G234 WeakPolarHBondContact O-CA 3.44Å; M230-G234 PolarHBondContact O-N 3.25Å; M230-A552 HydrophobicContact CB-CB 4.22Å
231	R	94.7	Very high	88.9	Confident	85 Å²	85	49.1 Å²	49.1	32%	0.321	29%	0.29	S	S	.	.	H	α-helix	trans	-60.9	-56.1	176	-68.8	172.2	174.5	139.4	2.3	112	L227 N228 N229 G234 T235 L550 A552	L227-R231 WeakPolarHBondContact O-CG 3.38Å; L227-R231 PolarHBondContact O-N 3.03Å; L227-R231 VanDerWaalsContact O-N 3.11Å; N228-R231 PolarHBondContact O-N 3.1Å; N228-R231 PolarHBondContact OD1-NH1 3.35Å; N229-R231 VanDerWaalsContact C-N 3.29Å; N229-R231 PolarHBondContact O-N 3.27Å; R231-G234 WeakPolarHBondContact O-CA 3.21Å; R231-G234 PolarHBondContact O-N 2.94Å; R231-G234 VanDerWaalsContact O-N 3.08Å; R231-T235 PolarHBondContact O-N 3.47Å; R231-T235 PolarHBondContact O-OG1 3.12Å; R231-L550 PolarHBondContact NE-O 3.11Å; R231-L550 PolarHBondContact NH2-O 3.09Å; R231-A552 HydrophobicContact CG-CB 3.7Å
232	V	94.6	Very high	90.1	Very high	70 Å²	70	48.7 Å²	48.7	42%	0.424	28%	0.284	S	S	.	.	H	α-helix	trans	-64.6	-46.1	-173.7	175.4	0	0	0	0	111.7	I213 F214 N228 N229 G234 C236	I213-V232 HydrophobicContact CD1-CG1 4.13Å; F214-V232 HydrophobicContact CE2-CG2 4.05Å; N228-V232 PolarHBondContact O-N 2.9Å; N229-V232 PolarHBondContact O-N 3.2Å; V232-G234 VanDerWaalsContact C-N 3.27Å; V232-G234 PolarHBondContact O-N 2.87Å; V232-C236 WeakPolarHBondContact O-CB 3.27Å; V232-C236 PolarHBondContact O-N 3.15Å
233	Y	94.6	Very high	91	Very high	46 Å²	46	46 Å²	46	18%	0.18	28%	0.276	C	S	.	.	H	α-helix	trans	-67	-31.8	173.8	-77.3	-74.5	0	0	0	111.6	I200 L204 M211 I213 N229 C236 V237	I200-Y233 VanDerWaalsContact CD1-C 3.49Å; L204-Y233 HydrophobicContact CD1-CD2 4.08Å; L204-Y233 HydrophobicContact CD2-CD2 4.07Å; L204-Y233 HydrophobicContact CD2-CE2 3.98Å; M211-Y233 PolarHBondContact O-OH 3.1Å; I213-Y233 HydrophobicContact CD1-CE2 3.74Å; I213-Y233 HydrophobicContact CG1-CE2 3.98Å; N229-Y233 WeakPolarHBondContact O-CD2 3.3Å; N229-Y233 PolarHBondContact O-N 3.24Å; Y233-C236 PolarHBondContact O-N 3.21Å; Y233-V237 WeakPolarHBondContact O-CB 3.39Å; Y233-V237 VanDerWaalsContact O-CG2 3.31Å; Y233-V237 WeakPolarHBondContact O-CG2 3.16Å; Y233-V237 PolarHBondContact O-N 3.26Å
234	G	94.6	Very high	91.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-54.7	-63.4	173.8	0	0	0	0	0	112.9	I200 M230 R231 V232 C236 V237 L238	I200-G234 VanDerWaalsContact CD1-N 3.3Å; M230-G234 VanDerWaalsContact O-CA 3.28Å; M230-G234 WeakPolarHBondContact O-CA 3.44Å; M230-G234 PolarHBondContact O-N 3.25Å; R231-G234 WeakPolarHBondContact O-CA 3.21Å; R231-G234 PolarHBondContact O-N 2.94Å; R231-G234 VanDerWaalsContact O-N 3.08Å; V232-G234 VanDerWaalsContact C-N 3.27Å; V232-G234 PolarHBondContact O-N 2.87Å; G234-C236 PolarHBondContact O-N 3.39Å; G234-V237 PolarHBondContact O-N 3.08Å; G234-L238 WeakPolarHBondContact O-CB 3.49Å; G234-L238 PolarHBondContact O-N 2.92Å
235	T	95.8	Very high	92.2	Very high	50 Å²	50	44 Å²	44	31%	0.307	25%	0.252	S	S	.	.	H	α-helix	trans	-57.2	-38.1	178.8	-46.6	0	0	0	0	111.2	R231 T239 E546	R231-T235 PolarHBondContact O-N 3.47Å; R231-T235 PolarHBondContact O-OG1 3.12Å; T235-T239 VanDerWaalsContact O-CB 3.3Å; T235-T239 WeakPolarHBondContact O-CB 3.48Å; T235-T239 PolarHBondContact O-N 3.47Å; T235-T239 PolarHBondContact O-OG1 3.08Å; T235-E546 WeakPolarHBondContact CB-OE1 3.48Å; T235-E546 VanDerWaalsContact CG2-OE1 3.29Å; T235-E546 WeakPolarHBondContact CG2-OE1 3.46Å; T235-E546 PolarHBondContact OG1-OE1 3.46Å
236	C	95.3	Very high	92.4	Very high	82 Å²	82	48.2 Å²	48.2	55%	0.554	27%	0.268	S	S	*	.	H	α-helix	trans	-65.3	-48.4	177.5	-172.6	0	0	0	0	112.5	V232 Y233 G234 T239 C240	V232-C236 WeakPolarHBondContact O-CB 3.27Å; V232-C236 PolarHBondContact O-N 3.15Å; Y233-C236 PolarHBondContact O-N 3.21Å; G234-C236 PolarHBondContact O-N 3.39Å; C236-T239 PolarHBondContact O-N 3.48Å; C236-C240 WeakPolarHBondContact O-CB 3.28Å; C236-C240 PolarHBondContact O-N 3.49Å
237	V	94.4	Very high	92.5	Very high	32 Å²	32	50.3 Å²	50.3	19%	0.194	29%	0.285	C	S	.	.	H	α-helix	trans	-66.8	-41.9	178.5	171.7	0	0	0	0	110.8	I196 I200 Y233 G234 T239 C240 M241	I196-V237 HydrophobicContact CG1-CG1 4.49Å; I196-V237 HydrophobicContact CG2-CB 4.14Å; I196-V237 HydrophobicContact CG2-CG1 3.97Å; I200-V237 HydrophobicContact CD1-CB 4.26Å; I200-V237 HydrophobicContact CD1-CG2 4.2Å; I200-V237 HydrophobicContact CG1-CG2 4.11Å; Y233-V237 WeakPolarHBondContact O-CB 3.39Å; Y233-V237 VanDerWaalsContact O-CG2 3.31Å; Y233-V237 WeakPolarHBondContact O-CG2 3.16Å; Y233-V237 PolarHBondContact O-N 3.26Å; G234-V237 PolarHBondContact O-N 3.08Å; V237-T239 PolarHBondContact O-N 2.9Å; V237-C240 PolarHBondContact O-N 2.94Å; V237-M241 HydrophobicContact CG1-CE 3.76Å; V237-M241 HydrophobicContact CG1-CG 4.31Å; V237-M241 HydrophobicContact CG1-SD 4.11Å; V237-M241 WeakPolarHBondContact O-CB 3.46Å; V237-M241 WeakPolarHBondContact O-CG 3.43Å; V237-M241 PolarHBondContact O-N 3.49Å
238	L	95.9	Very high	91.8	Very high	6 Å²	6	47.7 Å²	47.7	3%	0.031	27%	0.273	C	S	.	.	H	α-helix	trans	-57.9	-48.8	174.1	177.6	68.3	0	0	0	111.2	I196 G234 C240 M241 A242 L503 A542 C545 E546 I549	I196-L238 HydrophobicContact CD1-CB 4.1Å; I196-L238 HydrophobicContact CD1-CD1 3.59Å; I196-L238 HydrophobicContact CD1-CG 4.46Å; G234-L238 WeakPolarHBondContact O-CB 3.49Å; G234-L238 PolarHBondContact O-N 2.92Å; L238-C240 VanDerWaalsContact C-N 3.31Å; L238-C240 PolarHBondContact O-N 2.87Å; L238-M241 PolarHBondContact O-N 3.03Å; L238-A242 VanDerWaalsContact O-CB 3.27Å; L238-A242 WeakPolarHBondContact O-CB 3.23Å; L238-A242 PolarHBondContact O-N 3.24Å; L238-L503 HydrophobicContact CD1-CD1 4.37Å; L238-L503 HydrophobicContact CD1-CD2 4.36Å; L238-A542 WeakPolarHBondContact CD2-O 3.37Å; L238-C545 HydrophobicContact CD1-CB 3.72Å; L238-C545 HydrophobicContact CD2-CB 3.99Å; L238-E546 HydrophobicContact CD2-CB 4.01Å; L238-E546 VanDerWaalsContact CD2-OE2 3.32Å; L238-E546 WeakPolarHBondContact CD2-OE2 3.48Å; L238-I549 HydrophobicContact CB-CD1 3.75Å; L238-I549 HydrophobicContact CD2-CD1 4.01Å; L238-I549 HydrophobicContact CG-CD1 4.28Å
239	T	94.9	Very high	91.2	Very high	82 Å²	82	45 Å²	45	50%	0.503	26%	0.259	S	S	.	.	H	α-helix	trans	-61.4	-41.2	-179.5	-58.7	0	0	0	0	111.2	T235 C236 V237 T243	T235-T239 VanDerWaalsContact O-CB 3.3Å; T235-T239 WeakPolarHBondContact O-CB 3.48Å; T235-T239 PolarHBondContact O-N 3.47Å; T235-T239 PolarHBondContact O-OG1 3.08Å; C236-T239 PolarHBondContact O-N 3.48Å; V237-T239 PolarHBondContact O-N 2.9Å; T239-T243 WeakPolarHBondContact O-CB 3.39Å; T239-T243 PolarHBondContact O-N 2.91Å; T239-T243 PolarHBondContact O-OG1 2.97Å
240	C	93.7	Very high	90.5	Very high	79 Å²	79	52.1 Å²	52.1	53%	0.534	29%	0.289	S	S	.	.	H	α-helix	trans	-62.4	-51.5	174.2	-173.6	0	0	0	0	111.8	C236 V237 L238 A242 T243 V244	C236-C240 WeakPolarHBondContact O-CB 3.28Å; C236-C240 PolarHBondContact O-N 3.49Å; V237-C240 PolarHBondContact O-N 2.94Å; L238-C240 VanDerWaalsContact C-N 3.31Å; L238-C240 PolarHBondContact O-N 2.87Å; C240-A242 PolarHBondContact O-N 2.83Å; C240-T243 WeakPolarHBondContact O-CB 3.03Å; C240-T243 PolarHBondContact O-N 3.5Å; C240-V244 WeakPolarHBondContact O-CG2 3.23Å; C240-V244 PolarHBondContact O-N 3.41Å
241	M	92.6	Very high	89.8	Confident	11 Å²	11	59 Å²	59	5%	0.054	32%	0.316	C	S	.	.	H	α-helix	trans	-60.7	-44.7	178.7	-73.2	-174.6	175.2	0	0	112.3	I196 V237 L238 T243 V244 V245 C496 L500 L503	I196-M241 HydrophobicContact CD1-SD 4Å; I196-M241 HydrophobicContact CG1-CE 4.44Å; I196-M241 HydrophobicContact CG1-SD 3.73Å; V237-M241 HydrophobicContact CG1-CE 3.76Å; V237-M241 HydrophobicContact CG1-CG 4.31Å; V237-M241 HydrophobicContact CG1-SD 4.11Å; V237-M241 WeakPolarHBondContact O-CB 3.46Å; V237-M241 WeakPolarHBondContact O-CG 3.43Å; V237-M241 PolarHBondContact O-N 3.49Å; L238-M241 PolarHBondContact O-N 3.03Å; M241-T243 VanDerWaalsContact C-N 3.29Å; M241-T243 PolarHBondContact O-N 2.92Å; M241-V244 PolarHBondContact O-N 2.83Å; M241-V245 WeakPolarHBondContact O-CG2 3.15Å; M241-V245 PolarHBondContact O-N 2.96Å; M241-C496 HydrophobicContact CE-CB 4.23Å; M241-C496 VanDerWaalsContact CE-SG 3.55Å; M241-L500 HydrophobicContact CB-CD2 3.87Å; M241-L500 HydrophobicContact CG-CD2 3.85Å; M241-L500 HydrophobicContact CG-CG 4.26Å; M241-L500 HydrophobicContact SD-CD2 4.41Å; M241-L500 HydrophobicContact SD-CG 4.3Å; M241-L503 HydrophobicContact CB-CD2 3.79Å
242	A	92.7	Very high	89.1	Confident	17 Å²	17	55.2 Å²	55.2	14%	0.14	30%	0.302	C	S	.	.	H	α-helix	trans	-61.8	-37.5	177	0	0	0	0	0	111.7	L238 C240 V245 F246 L503	L238-A242 VanDerWaalsContact O-CB 3.27Å; L238-A242 WeakPolarHBondContact O-CB 3.23Å; L238-A242 PolarHBondContact O-N 3.24Å; C240-A242 PolarHBondContact O-N 2.83Å; A242-V245 PolarHBondContact O-N 3.38Å; A242-F246 WeakPolarHBondContact O-CB 3.49Å; A242-F246 PolarHBondContact O-N 2.95Å; A242-L503 HydrophobicContact CB-CD2 4.16Å
243	T	91.8	Very high	88.2	Confident	76 Å²	76	53.7 Å²	53.7	47%	0.466	29%	0.292	S	S	.	.	H	α-helix	trans	-65.7	-44.3	174.5	-56.5	0	0	0	0	111.5	T239 C240 M241 V245 F246 V247	T239-T243 WeakPolarHBondContact O-CB 3.39Å; T239-T243 PolarHBondContact O-N 2.91Å; T239-T243 PolarHBondContact O-OG1 2.97Å; C240-T243 WeakPolarHBondContact O-CB 3.03Å; C240-T243 PolarHBondContact O-N 3.5Å; M241-T243 VanDerWaalsContact C-N 3.29Å; M241-T243 PolarHBondContact O-N 2.92Å; T243-V245 VanDerWaalsContact C-N 3.33Å; T243-V245 PolarHBondContact O-N 3.37Å; T243-F246 PolarHBondContact O-N 3.05Å; T243-V247 HydrophobicContact CG2-CG2 4.32Å; T243-V247 WeakPolarHBondContact O-CG2 3.4Å; T243-V247 PolarHBondContact O-N 2.92Å
244	V	90.2	Very high	87.5	Confident	61 Å²	61	59.6 Å²	59.6	37%	0.37	32%	0.319	S	S	.	.	H	α-helix	trans	-58.7	-45.1	175	170.9	0	0	0	0	111.1	C240 M241 V247 G248 V252	C240-V244 WeakPolarHBondContact O-CG2 3.23Å; C240-V244 PolarHBondContact O-N 3.41Å; M241-V244 PolarHBondContact O-N 2.83Å; V244-V247 PolarHBondContact O-N 2.98Å; V244-G248 PolarHBondContact O-N 2.94Å; V244-V252 HydrophobicContact CG1-CG2 4.1Å
245	V	89.6	Confident	86.9	Confident	9 Å²	9	65.2 Å²	65.2	6%	0.055	34%	0.343	C	S	.	.	H	α-helix	trans	-64	-39.3	176.6	172.2	0	0	0	0	111.9	M241 A242 T243 V249 L500 L503 T504 L538	M241-V245 WeakPolarHBondContact O-CG2 3.15Å; M241-V245 PolarHBondContact O-N 2.96Å; A242-V245 PolarHBondContact O-N 3.38Å; T243-V245 VanDerWaalsContact C-N 3.33Å; T243-V245 PolarHBondContact O-N 3.37Å; V245-V249 HydrophobicContact CG1-CG2 4.25Å; V245-L500 HydrophobicContact CG2-CD2 4.18Å; V245-L503 HydrophobicContact CG2-CD2 4.33Å; V245-L503 HydrophobicContact CG2-CG 4.43Å; V245-T504 HydrophobicContact CB-CG2 4.2Å; V245-T504 HydrophobicContact CG1-CG2 3.73Å; V245-T504 HydrophobicContact CG2-CG2 3.46Å; V245-T504 VanDerWaalsContact CG2-CG2 3.46Å; V245-L538 HydrophobicContact CB-CD1 4.36Å; V245-L538 HydrophobicContact CB-CD2 4.45Å; V245-L538 HydrophobicContact CG1-CD1 3.71Å; V245-L538 HydrophobicContact CG1-CD2 3.93Å; V245-L538 HydrophobicContact CG1-CG 4.49Å
246	F	88.9	Confident	86.2	Confident	102 Å²	102	62.8 Å²	62.8	45%	0.447	33%	0.328	S	S	.	.	H	α-helix	trans	-70.7	-35.4	178.7	-178.5	-95.8	0	0	0	113.6	A242 T243 K529 T535 L538	A242-F246 WeakPolarHBondContact O-CB 3.49Å; A242-F246 PolarHBondContact O-N 2.95Å; T243-F246 PolarHBondContact O-N 3.05Å; F246-K529 VanDerWaalsContact CE2-CE 3.5Å; F246-K529 VanDerWaalsContact CZ-NZ 3.31Å; F246-K529 PolarHBondContact O-NZ 2.94Å; F246-T535 HydrophobicContact CE2-CG2 4.15Å; F246-L538 HydrophobicContact CB-CD2 3.88Å; F246-L538 HydrophobicContact CD2-CD2 4.26Å
247	V	87.1	Confident	85.6	Confident	105 Å²	105	62.1 Å²	62.1	64%	0.636	32%	0.319	S	S	*	.	H	α-helix	trans	-71.8	-38.8	-179	168.5	0	0	0	0	111.7	T243 V244	T243-V247 HydrophobicContact CG2-CG2 4.32Å; T243-V247 WeakPolarHBondContact O-CG2 3.4Å; T243-V247 PolarHBondContact O-N 2.92Å; V244-V247 PolarHBondContact O-N 2.98Å
248	G	73.6	Confident	85.2	Confident	9 Å²	9	64.3 Å²	64.3	9%	0.093	33%	0.332	C	S	.	.			trans	167.3	123.2	168.7	0	0	0	0	0	114.2	V244 K250 Y251	V244-G248 PolarHBondContact O-N 2.94Å; G248-K250 PolarHBondContact O-N 3.26Å; G248-K250 VanDerWaalsContact O-N 3.12Å; G248-Y251 PolarHBondContact O-N 3.1Å
249	V	77.3	Confident	84.8	Confident	7 Å²	7	64.9 Å²	64.9	4%	0.042	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-17.7	-174.8	178.2	0	0	0	0	113.1	L71 V245 Y251 V252 N253 T504 E533	L71-V249 HydrophobicContact CD2-CG1 3.06Å; V245-V249 HydrophobicContact CG1-CG2 4.25Å; V249-Y251 PolarHBondContact O-N 3.45Å; V249-Y251 VanDerWaalsContact O-N 3.15Å; V249-V252 PolarHBondContact O-N 2.98Å; V249-V252 VanDerWaalsContact O-N 3.1Å; V249-N253 PolarHBondContact O-N 2.94Å; V249-N253 VanDerWaalsContact O-N 3.17Å; V249-T504 HydrophobicContact CG1-CG2 4.13Å; V249-T504 HydrophobicContact CG2-CG2 4.12Å; V249-E533 WeakPolarHBondContact CB-OE1 3.2Å; V249-E533 WeakPolarHBondContact CG2-OE1 3.46Å; V249-E533 PolarHBondContact N-OE1 3.38Å
250	K	77.8	Confident	84.4	Confident	154 Å²	154	61.6 Å²	61.6	67%	0.67	31%	0.313	S	S	*	.	H	α-helix	trans	-56.9	-28.9	178.6	-65.8	-177.2	-179.9	179	0	114.2	G248	G248-K250 PolarHBondContact O-N 3.26Å; G248-K250 VanDerWaalsContact O-N 3.12Å
251	Y	76.6	Confident	84.2	Confident	155 Å²	155	59.2 Å²	59.2	61%	0.608	30%	0.302	S	S	*	.	H	α-helix	trans	-75.4	-42	176.7	-63	-78.2	0	0	0	111.5	G248 V249 N253 K254 F255	G248-Y251 PolarHBondContact O-N 3.1Å; V249-Y251 PolarHBondContact O-N 3.45Å; V249-Y251 VanDerWaalsContact O-N 3.15Å; Y251-N253 VanDerWaalsContact C-N 3.3Å; Y251-N253 PolarHBondContact O-N 2.83Å; Y251-K254 PolarHBondContact O-N 3.26Å; Y251-K254 VanDerWaalsContact O-N 3.1Å; Y251-F255 VanDerWaalsContact O-CD2 3.23Å; Y251-F255 WeakPolarHBondContact O-CD2 3.32Å; Y251-F255 PolarHBondContact O-N 3.5Å
252	V	80.3	Confident	84	Confident	7 Å²	7	60 Å²	60	4%	0.042	31%	0.308	C	S	.	.	H	α-helix	trans	-58.7	-43.3	176.6	-172.3	0	0	0	0	110.7	L71 V244 V249 K254 F255 A256 L500	L71-V252 HydrophobicContact CD1-CG1 4.13Å; V244-V252 HydrophobicContact CG1-CG2 4.1Å; V249-V252 PolarHBondContact O-N 2.98Å; V249-V252 VanDerWaalsContact O-N 3.1Å; V252-K254 VanDerWaalsContact C-N 3.27Å; V252-K254 PolarHBondContact O-N 3.36Å; V252-F255 PolarHBondContact O-N 3.27Å; V252-F255 VanDerWaalsContact O-N 3.11Å; V252-A256 PolarHBondContact O-N 3.39Å; V252-L500 HydrophobicContact CG1-CB 4.13Å
253	N	75.8	Confident	83.9	Confident	38 Å²	38	59.2 Å²	59.2	20%	0.203	30%	0.302	C	S	.	.	H	α-helix	trans	-52.6	-40.9	174.8	-79.5	2.1	0	0	0	113.1	T69 L71 V249 Y251 A256	T69-N253 HydrophobicContact CG2-CB 4.18Å; L71-N253 WeakPolarHBondContact CD1-OD1 3.3Å; L71-N253 WeakPolarHBondContact CD2-OD1 3.42Å; V249-N253 PolarHBondContact O-N 2.94Å; V249-N253 VanDerWaalsContact O-N 3.17Å; Y251-N253 VanDerWaalsContact C-N 3.3Å; Y251-N253 PolarHBondContact O-N 2.83Å; N253-A256 WeakPolarHBondContact O-CB 3.43Å; N253-A256 PolarHBondContact O-N 2.85Å
254	K	78.6	Confident	83.9	Confident	170 Å²	170	58.9 Å²	58.9	74%	0.739	30%	0.297	S	S	*	.	H	α-helix	trans	-71.4	-30.5	-179.1	-69.2	-172.7	175.8	-171.1	0	113.2	Y251 V252 A256	Y251-K254 PolarHBondContact O-N 3.26Å; Y251-K254 VanDerWaalsContact O-N 3.1Å; V252-K254 VanDerWaalsContact C-N 3.27Å; V252-K254 PolarHBondContact O-N 3.36Å; K254-A256 VanDerWaalsContact C-N 3.34Å
255	F	83.1	Confident	84	Confident	117 Å²	117	61.4 Å²	61.4	51%	0.513	31%	0.307	S	S	.	.	H	α-helix	trans	-81.9	-11.9	177.4	-68	-66.5	0	0	0	113.6	Y251 V252 L257 V258 F259	Y251-F255 VanDerWaalsContact O-CD2 3.23Å; Y251-F255 WeakPolarHBondContact O-CD2 3.32Å; Y251-F255 PolarHBondContact O-N 3.5Å; V252-F255 PolarHBondContact O-N 3.27Å; V252-F255 VanDerWaalsContact O-N 3.11Å; F255-L257 VanDerWaalsContact C-N 3.27Å; F255-L257 PolarHBondContact O-N 2.92Å; F255-V258 HydrophobicContact CD1-CG2 4.42Å; F255-V258 WeakPolarHBondContact O-CA 3.32Å; F255-V258 WeakPolarHBondContact O-CB 3.47Å; F255-V258 PolarHBondContact O-N 3.24Å; F255-F259 HydrophobicContact CB-CD2 4.35Å; F255-F259 HydrophobicContact CB-CE2 3.72Å; F255-F259 HydrophobicContact CB-CZ 3.89Å; F255-F259 VanDerWaalsContact O-CD2 3.3Å; F255-F259 WeakPolarHBondContact O-CD2 3.43Å; F255-F259 PolarHBondContact O-N 3.1Å
256	A	80.6	Confident	84.2	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-47.9	-45.2	178.3	0	0	0	0	0	114.1	Y68 N70 Q109 V252 N253 K254 L260	Y68-A256 HydrophobicContact CD1-CB 3.87Å; Y68-A256 HydrophobicContact CE1-CB 3.86Å; N70-A256 HydrophobicContact CB-CB 4.2Å; N70-A256 WeakPolarHBondContact OD1-CB 3.41Å; Q109-A256 PolarHBondContact NE2-O 3.41Å; V252-A256 PolarHBondContact O-N 3.39Å; N253-A256 WeakPolarHBondContact O-CB 3.43Å; N253-A256 PolarHBondContact O-N 2.85Å; K254-A256 VanDerWaalsContact C-N 3.34Å; A256-L260 PolarHBondContact O-N 3.01Å; A256-L260 VanDerWaalsContact O-N 3.16Å
257	L	81.6	Confident	84.4	Confident	68 Å²	68	57 Å²	57	36%	0.356	29%	0.288	S	S	.	.	H	α-helix	trans	-71.6	-32.9	-179.6	-174.4	148.9	0	0	0	112.2	L65 Y68 F255 L260 G261	L65-L257 HydrophobicContact CB-CD1 3.88Å; L65-L257 HydrophobicContact CD2-CD1 3.63Å; L65-L257 HydrophobicContact CG-CD1 4.36Å; L65-L257 WeakPolarHBondContact O-CD1 3.2Å; Y68-L257 HydrophobicContact CD1-CB 4.09Å; F255-L257 VanDerWaalsContact C-N 3.27Å; F255-L257 PolarHBondContact O-N 2.92Å; L257-L260 PolarHBondContact O-N 3.06Å; L257-G261 PolarHBondContact O-N 2.8Å
258	V	87	Confident	84.7	Confident	77 Å²	77	56.8 Å²	56.8	47%	0.467	28%	0.283	S	S	.	.	H	α-helix	trans	-65.3	-47.2	175.1	-177.3	0	0	0	0	110	F255 L260 G261 C262	F255-V258 HydrophobicContact CD1-CG2 4.42Å; F255-V258 WeakPolarHBondContact O-CA 3.32Å; F255-V258 WeakPolarHBondContact O-CB 3.47Å; F255-V258 PolarHBondContact O-N 3.24Å; V258-L260 VanDerWaalsContact C-N 3.34Å; V258-L260 PolarHBondContact O-N 3.05Å; V258-G261 PolarHBondContact O-N 3.34Å; V258-G261 VanDerWaalsContact O-N 3.14Å; V258-C262 PolarHBondContact O-N 3.24Å; V258-C262 PolarHBondContact O-SG 3.43Å; V258-C262 VanDerWaalsContact O-SG 3.36Å
259	F	86.8	Confident	85.7	Confident	19 Å²	19	56.7 Å²	56.7	8%	0.083	28%	0.282	C	S	.	.	H	α-helix	trans	-59.6	-42.8	176.6	-58.5	-44.9	0	0	0	112.2	F255 G261 C262 V263 F493 L500	F255-F259 HydrophobicContact CB-CD2 4.35Å; F255-F259 HydrophobicContact CB-CE2 3.72Å; F255-F259 HydrophobicContact CB-CZ 3.89Å; F255-F259 VanDerWaalsContact O-CD2 3.3Å; F255-F259 WeakPolarHBondContact O-CD2 3.43Å; F255-F259 PolarHBondContact O-N 3.1Å; F259-G261 PolarHBondContact O-N 2.98Å; F259-C262 PolarHBondContact O-N 2.75Å; F259-V263 WeakPolarHBondContact O-CG2 3.49Å; F259-V263 PolarHBondContact O-N 3.09Å; F259-V263 VanDerWaalsContact O-N 3.16Å; F259-F493 HydrophobicContact CD1-CB 4.29Å; F259-F493 VanDerWaalsContact CD1-O 3.23Å; F259-F493 WeakPolarHBondContact CD1-O 3.33Å; F259-F493 HydrophobicContact CE1-CD1 4.44Å; F259-L500 HydrophobicContact CZ-CD1 4.39Å
260	L	86.2	Confident	86.5	Confident	12 Å²	12	56.8 Å²	56.8	6%	0.063	28%	0.282	C	S	.	.	H	α-helix	trans	-61.7	-42.3	174.5	178.1	60.9	0	0	0	112.1	Y68 L105 L108 Q109 A256 L257 V258 V263 I264	Y68-L260 HydrophobicContact CE1-CD2 4.45Å; L105-L260 HydrophobicContact CB-CD2 4.1Å; L105-L260 HydrophobicContact CD1-CD2 4.09Å; L105-L260 HydrophobicContact CD2-CD2 4.27Å; L105-L260 HydrophobicContact CG-CD2 4.39Å; L108-L260 HydrophobicContact CD2-CD1 4.44Å; Q109-L260 HydrophobicContact CB-CD1 4.2Å; A256-L260 PolarHBondContact O-N 3.01Å; A256-L260 VanDerWaalsContact O-N 3.16Å; L257-L260 PolarHBondContact O-N 3.06Å; V258-L260 VanDerWaalsContact C-N 3.34Å; V258-L260 PolarHBondContact O-N 3.05Å; L260-V263 PolarHBondContact O-N 3.37Å; L260-I264 HydrophobicContact CD1-CD1 3.86Å; L260-I264 HydrophobicContact CD1-CG1 4.25Å; L260-I264 HydrophobicContact CG-CD1 3.99Å; L260-I264 WeakPolarHBondContact O-CG1 3.43Å; L260-I264 PolarHBondContact O-N 2.85Å; L260-I264 VanDerWaalsContact O-N 3.09Å
261	G	89.4	Confident	87.3	Confident	29 Å²	29	52.2 Å²	52.2	30%	0.299	26%	0.261	S	S	.	.	H	α-helix	trans	-59.4	-45.2	174.9	0	0	0	0	0	112.6	L257 V258 F259 V263 I264 L265	L257-G261 PolarHBondContact O-N 2.8Å; V258-G261 PolarHBondContact O-N 3.34Å; V258-G261 VanDerWaalsContact O-N 3.14Å; F259-G261 PolarHBondContact O-N 2.98Å; G261-V263 VanDerWaalsContact C-N 3.34Å; G261-V263 PolarHBondContact O-N 2.87Å; G261-I264 PolarHBondContact O-N 3.02Å; G261-L265 WeakPolarHBondContact O-CB 3.36Å; G261-L265 VanDerWaalsContact O-CG 3.28Å; G261-L265 WeakPolarHBondContact O-CG 3.47Å; G261-L265 PolarHBondContact O-N 2.74Å
262	C	89.4	Confident	88.2	Confident	27 Å²	27	46.4 Å²	46.4	18%	0.182	25%	0.245	C	C	.	.	H	α-helix	trans	-58	-43.2	175.7	-68	0	0	0	0	112.5	V258 F259 S266	V258-C262 PolarHBondContact O-N 3.24Å; V258-C262 PolarHBondContact O-SG 3.43Å; V258-C262 VanDerWaalsContact O-SG 3.36Å; F259-C262 PolarHBondContact O-N 2.75Å; C262-S266 WeakPolarHBondContact O-CB 3.35Å; C262-S266 PolarHBondContact O-N 3.33Å; C262-S266 PolarHBondContact O-OG 3.15Å
263	V	90	Very high	88.8	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.012	24%	0.244	C	C	.	.	H	α-helix	trans	-63	-52.1	177.8	172.6	0	0	0	0	111.4	F112 F259 L260 G261 L265 S266 I267 S494	F112-V263 HydrophobicContact CB-CG1 3.75Å; F112-V263 HydrophobicContact CD2-CG1 3.76Å; F112-V263 HydrophobicContact CG-CG1 4.01Å; F259-V263 WeakPolarHBondContact O-CG2 3.49Å; F259-V263 PolarHBondContact O-N 3.09Å; F259-V263 VanDerWaalsContact O-N 3.16Å; L260-V263 PolarHBondContact O-N 3.37Å; G261-V263 VanDerWaalsContact C-N 3.34Å; G261-V263 PolarHBondContact O-N 2.87Å; V263-L265 PolarHBondContact O-N 3.18Å; V263-S266 PolarHBondContact O-N 3.07Å; V263-I267 HydrophobicContact CG1-CD1 3.83Å; V263-I267 WeakPolarHBondContact O-CG1 3.43Å; V263-I267 PolarHBondContact O-N 3.42Å; V263-S494 WeakPolarHBondContact CG2-OG 3.43Å
264	I	91.7	Very high	89.6	Confident	68 Å²	68	44.9 Å²	44.9	35%	0.349	24%	0.238	S	C	.	.	H	α-helix	trans	-63.5	-44.1	-176.3	-65.8	171.9	0	0	0	110.7	L260 G261 S266 I267 L268	L260-I264 HydrophobicContact CD1-CD1 3.86Å; L260-I264 HydrophobicContact CD1-CG1 4.25Å; L260-I264 HydrophobicContact CG-CD1 3.99Å; L260-I264 WeakPolarHBondContact O-CG1 3.43Å; L260-I264 PolarHBondContact O-N 2.85Å; L260-I264 VanDerWaalsContact O-N 3.09Å; G261-I264 PolarHBondContact O-N 3.02Å; I264-S266 VanDerWaalsContact C-N 3.33Å; I264-S266 PolarHBondContact O-N 3.04Å; I264-I267 PolarHBondContact O-N 2.96Å; I264-L268 HydrophobicContact CG2-CD1 3.96Å; I264-L268 HydrophobicContact CG2-CG 4.43Å; I264-L268 WeakPolarHBondContact O-CG 3.32Å; I264-L268 PolarHBondContact O-N 3.29Å
265	L	92.7	Very high	90.3	Very high	114 Å²	114	42 Å²	42	60%	0.597	23%	0.229	S	C	*	.	H	α-helix	trans	-62.8	-38.3	176.7	-70.2	172.1	0	0	0	112.3	G261 V263 L268 A269	G261-L265 WeakPolarHBondContact O-CB 3.36Å; G261-L265 VanDerWaalsContact O-CG 3.28Å; G261-L265 WeakPolarHBondContact O-CG 3.47Å; G261-L265 PolarHBondContact O-N 2.74Å; V263-L265 PolarHBondContact O-N 3.18Å; L265-L268 PolarHBondContact O-N 3.32Å; L265-A269 WeakPolarHBondContact O-CB 3.48Å; L265-A269 PolarHBondContact O-N 3.03Å
266	S	93.3	Very high	90.8	Very high	1 Å²	1	40 Å²	40	1%	0.007	22%	0.22	C	C	.	.	H	α-helix	trans	-64.5	-43.9	176.4	-57.8	0	0	0	0	111.8	C262 V263 I264 A269 I270 I487	C262-S266 WeakPolarHBondContact O-CB 3.35Å; C262-S266 PolarHBondContact O-N 3.33Å; C262-S266 PolarHBondContact O-OG 3.15Å; V263-S266 PolarHBondContact O-N 3.07Å; I264-S266 VanDerWaalsContact C-N 3.33Å; I264-S266 PolarHBondContact O-N 3.04Å; S266-A269 PolarHBondContact O-N 3.29Å; S266-I270 WeakPolarHBondContact O-CG1 3.23Å; S266-I270 PolarHBondContact O-N 3.23Å; S266-I270 VanDerWaalsContact O-N 3.14Å; S266-I487 VanDerWaalsContact O-CD1 3.25Å; S266-I487 WeakPolarHBondContact O-CD1 3.41Å
267	I	92.8	Very high	91.4	Very high	17 Å²	17	40.1 Å²	40.1	9%	0.087	22%	0.221	C	C	.	.	H	α-helix	trans	-64.1	-43.4	177.4	-67.5	170.2	0	0	0	110.8	F112 L116 F117 V263 I264 A269 I270 Y271 V445	F112-I267 HydrophobicContact CD1-CD1 4.09Å; F112-I267 HydrophobicContact CD2-CD1 3.86Å; F112-I267 HydrophobicContact CE1-CD1 3.89Å; F112-I267 HydrophobicContact CE2-CD1 3.63Å; F112-I267 HydrophobicContact CG-CD1 4.09Å; F112-I267 HydrophobicContact CZ-CD1 3.65Å; L116-I267 HydrophobicContact CD2-CD1 4.06Å; L116-I267 HydrophobicContact CD2-CG1 4.03Å; F117-I267 HydrophobicContact CZ-CG1 4.49Å; V263-I267 HydrophobicContact CG1-CD1 3.83Å; V263-I267 WeakPolarHBondContact O-CG1 3.43Å; V263-I267 PolarHBondContact O-N 3.42Å; I264-I267 PolarHBondContact O-N 2.96Å; I267-A269 VanDerWaalsContact C-N 3.35Å; I267-A269 PolarHBondContact O-N 2.84Å; I267-I270 PolarHBondContact O-N 2.67Å; I267-Y271 HydrophobicContact CG2-CD2 3.88Å; I267-Y271 HydrophobicContact CG2-CE2 3.53Å; I267-Y271 WeakPolarHBondContact O-CD2 3.37Å; I267-Y271 PolarHBondContact O-N 3.32Å; I267-V445 HydrophobicContact CG2-CG1 4.26Å
268	L	94.6	Very high	91.8	Very high	101 Å²	101	38.9 Å²	38.9	53%	0.529	22%	0.22	S	C	.	.	H	α-helix	trans	-64.2	-37.6	176.4	-69	172.9	0	0	0	112.5	I264 L265 I270 Y271 A272	I264-L268 HydrophobicContact CG2-CD1 3.96Å; I264-L268 HydrophobicContact CG2-CG 4.43Å; I264-L268 WeakPolarHBondContact O-CG 3.32Å; I264-L268 PolarHBondContact O-N 3.29Å; L265-L268 PolarHBondContact O-N 3.32Å; L268-I270 VanDerWaalsContact C-N 3.32Å; L268-I270 PolarHBondContact O-N 2.92Å; L268-Y271 PolarHBondContact O-N 3.47Å; L268-A272 WeakPolarHBondContact O-CB 2.81Å; L268-A272 PolarHBondContact O-N 3.22Å
269	A	95.1	Very high	92	Very high	8 Å²	8	43.7 Å²	43.7	7%	0.066	24%	0.235	C	C	.	.	H	α-helix	trans	-63.5	-35.2	175.5	0	0	0	0	0	112.9	L265 S266 I267 G273 A480 W481 V486 I487	L265-A269 WeakPolarHBondContact O-CB 3.48Å; L265-A269 PolarHBondContact O-N 3.03Å; S266-A269 PolarHBondContact O-N 3.29Å; I267-A269 VanDerWaalsContact C-N 3.35Å; I267-A269 PolarHBondContact O-N 2.84Å; A269-G273 PolarHBondContact O-N 3.34Å; A269-A480 HydrophobicContact CB-CB 4.42Å; A269-W481 WeakPolarHBondContact CA-O 3.42Å; A269-W481 VanDerWaalsContact CB-O 3.25Å; A269-W481 WeakPolarHBondContact CB-O 3.41Å; A269-W481 PolarHBondContact O-N 3.04Å; A269-W481 VanDerWaalsContact O-N 3.07Å; A269-V486 HydrophobicContact CB-CG1 4.1Å; A269-I487 HydrophobicContact CB-CD1 4.09Å
270	I	93.8	Very high	92.2	Very high	8 Å²	8	47.2 Å²	47.2	4%	0.041	26%	0.255	C	S	.	.	H	α-helix	trans	-65.1	-51.3	173.1	-66.1	164.3	0	0	0	110.4	F117 S266 I267 L268 A272 G273 V274 F453 V476 I487	F117-I270 HydrophobicContact CD1-CD1 4.22Å; F117-I270 HydrophobicContact CE1-CD1 3.97Å; S266-I270 WeakPolarHBondContact O-CG1 3.23Å; S266-I270 PolarHBondContact O-N 3.23Å; S266-I270 VanDerWaalsContact O-N 3.14Å; I267-I270 PolarHBondContact O-N 2.67Å; L268-I270 VanDerWaalsContact C-N 3.32Å; L268-I270 PolarHBondContact O-N 2.92Å; I270-A272 PolarHBondContact O-N 3.47Å; I270-G273 PolarHBondContact O-N 3Å; I270-V274 WeakPolarHBondContact O-CG2 3.3Å; I270-V274 PolarHBondContact O-N 3.31Å; I270-F453 HydrophobicContact CG2-CE1 3.83Å; I270-F453 HydrophobicContact CG2-CZ 4.36Å; I270-V476 HydrophobicContact CD1-CG2 3.52Å; I270-V476 HydrophobicContact CG1-CG2 3.72Å; I270-V476 HydrophobicContact CG2-CG2 4.29Å; I270-I487 HydrophobicContact CD1-CD1 4.22Å; I270-I487 HydrophobicContact CG1-CD1 3.83Å; I270-I487 HydrophobicContact CG1-CG1 4.49Å
271	Y	94.9	Very high	92.3	Very high	58 Å²	58	48.7 Å²	48.7	23%	0.227	27%	0.265	C	S	.	.	H	α-helix	trans	-63.4	-40.5	179.1	-74.2	-67.8	0	0	0	113	I267 L268 G273 V274 I275 S448 L452	I267-Y271 HydrophobicContact CG2-CD2 3.88Å; I267-Y271 HydrophobicContact CG2-CE2 3.53Å; I267-Y271 WeakPolarHBondContact O-CD2 3.37Å; I267-Y271 PolarHBondContact O-N 3.32Å; L268-Y271 PolarHBondContact O-N 3.47Å; Y271-G273 VanDerWaalsContact C-N 3.3Å; Y271-G273 PolarHBondContact O-N 3.46Å; Y271-V274 PolarHBondContact O-N 2.88Å; Y271-I275 VanDerWaalsContact O-CG1 3.32Å; Y271-I275 WeakPolarHBondContact O-CG1 3.48Å; Y271-I275 PolarHBondContact O-N 3.31Å; Y271-S448 PolarHBondContact OH-OG 3.4Å; Y271-L452 HydrophobicContact CD1-CD1 3.92Å; Y271-L452 HydrophobicContact CE1-CD1 3.69Å
272	A	94.4	Very high	92.3	Very high	33 Å²	33	48.8 Å²	48.8	27%	0.273	26%	0.261	S	S	.	.	H	α-helix	trans	-61.5	-40.6	174.4	0	0	0	0	0	111.6	L268 I270 I275 K276 W481	L268-A272 WeakPolarHBondContact O-CB 2.81Å; L268-A272 PolarHBondContact O-N 3.22Å; I270-A272 PolarHBondContact O-N 3.47Å; A272-I275 PolarHBondContact O-N 3.46Å; A272-K276 WeakPolarHBondContact O-CB 3.43Å; A272-K276 PolarHBondContact O-N 2.96Å; A272-W481 HydrophobicContact CB-CB 4.44Å; A272-W481 HydrophobicContact CB-CE3 3.96Å
273	G	93.6	Very high	92.3	Very high	3 Å²	3	53.7 Å²	53.7	3%	0.031	29%	0.285	C	S	.	.	H	α-helix	trans	-62.7	-46.4	174.4	0	0	0	0	0	113.7	A269 I270 Y271 I275 K276 S277 L479	A269-G273 PolarHBondContact O-N 3.34Å; I270-G273 PolarHBondContact O-N 3Å; Y271-G273 VanDerWaalsContact C-N 3.3Å; Y271-G273 PolarHBondContact O-N 3.46Å; G273-I275 PolarHBondContact O-N 2.89Å; G273-K276 PolarHBondContact O-N 3.33Å; G273-S277 WeakPolarHBondContact O-CB 3.28Å; G273-S277 PolarHBondContact O-N 2.84Å; G273-L479 CarbonylContact C-O 3.56Å; G273-L479 WeakPolarHBondContact CA-O 3.27Å
274	V	92.9	Very high	92.2	Very high	11 Å²	11	55.8 Å²	55.8	7%	0.067	29%	0.294	C	S	.	.	H	α-helix	trans	-55.3	-51.4	172.5	167.4	0	0	0	0	111.2	I270 Y271 K276 S277 A278 L452 L479	I270-V274 WeakPolarHBondContact O-CG2 3.3Å; I270-V274 PolarHBondContact O-N 3.31Å; Y271-V274 PolarHBondContact O-N 2.88Å; V274-K276 VanDerWaalsContact C-N 3.35Å; V274-K276 PolarHBondContact O-N 2.8Å; V274-S277 WeakPolarHBondContact O-CB 3.45Å; V274-S277 PolarHBondContact O-N 2.81Å; V274-S277 VanDerWaalsContact O-N 3.16Å; V274-S277 PolarHBondContact O-OG 2.95Å; V274-A278 PolarHBondContact O-N 2.87Å; V274-L452 HydrophobicContact CG1-CB 4.38Å; V274-L452 HydrophobicContact CG1-CD1 4.12Å; V274-L452 HydrophobicContact CG1-CD2 3.79Å; V274-L452 HydrophobicContact CG1-CG 4.29Å; V274-L452 HydrophobicContact CG2-CB 4.18Å; V274-L452 HydrophobicContact CG2-CD1 4.38Å; V274-L479 HydrophobicContact CG2-CD1 4.43Å; V274-L479 HydrophobicContact CG2-CD2 3.76Å; V274-L479 HydrophobicContact CG2-CG 4.2Å
275	I	92.8	Very high	92.2	Very high	110 Å²	110	55.2 Å²	55.2	56%	0.564	30%	0.295	S	S	*	.	H	α-helix	trans	-62.8	-43.2	-179.1	-66.7	165.1	0	0	0	110.4	Y271 A272 G273 S277 A278 F279	Y271-I275 VanDerWaalsContact O-CG1 3.32Å; Y271-I275 WeakPolarHBondContact O-CG1 3.48Å; Y271-I275 PolarHBondContact O-N 3.31Å; A272-I275 PolarHBondContact O-N 3.46Å; G273-I275 PolarHBondContact O-N 2.89Å; I275-S277 VanDerWaalsContact C-N 3.31Å; I275-S277 PolarHBondContact O-N 2.84Å; I275-A278 WeakPolarHBondContact O-CB 3.46Å; I275-A278 PolarHBondContact O-N 2.96Å; I275-F279 HydrophobicContact CG2-CE2 4.35Å; I275-F279 WeakPolarHBondContact O-CD2 3.48Å
276	K	93.5	Very high	92.2	Very high	75 Å²	75	49.8 Å²	49.8	33%	0.326	27%	0.266	S	S	.	.	H	α-helix	trans	-59.1	-42.1	174.7	179.1	177.5	166.9	61.2	0	111.6	A272 G273 V274 A278 F279 D280 W481	A272-K276 WeakPolarHBondContact O-CB 3.43Å; A272-K276 PolarHBondContact O-N 2.96Å; G273-K276 PolarHBondContact O-N 3.33Å; V274-K276 VanDerWaalsContact C-N 3.35Å; V274-K276 PolarHBondContact O-N 2.8Å; K276-A278 PolarHBondContact O-N 2.84Å; K276-A278 VanDerWaalsContact O-N 3.09Å; K276-F279 PolarHBondContact O-N 2.94Å; K276-D280 IonicContact NZ-OD2 2.57Å; K276-D280 PolarHBondContact NZ-OD2 3.26Å; K276-D280 CarbonylContact O-C 3.6Å; K276-D280 PolarHBondContact O-N 2.8Å; K276-W481 HydrophobicContact CD-CB 4.5Å; K276-W481 VanDerWaalsContact CD-CD1 3.48Å; K276-W481 HydrophobicContact CD-CG 4.15Å
277	S	92.2	Very high	92.1	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.014	27%	0.266	C	S	.	.	H	α-helix	trans	-62	-18.4	-178.1	83.2	0	0	0	0	114.6	G273 V274 I275 F279 G348 A349	G273-S277 WeakPolarHBondContact O-CB 3.28Å; G273-S277 PolarHBondContact O-N 2.84Å; V274-S277 WeakPolarHBondContact O-CB 3.45Å; V274-S277 PolarHBondContact O-N 2.81Å; V274-S277 VanDerWaalsContact O-N 3.16Å; V274-S277 PolarHBondContact O-OG 2.95Å; I275-S277 VanDerWaalsContact C-N 3.31Å; I275-S277 PolarHBondContact O-N 2.84Å; S277-F279 VanDerWaalsContact C-N 3.3Å; S277-G348 WeakPolarHBondContact O-CA 3.3Å; S277-A349 PolarHBondContact OG-N 3.13Å
278	A	90.4	Very high	92	Very high	41 Å²	41	49 Å²	49	34%	0.339	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-20.4	174.2	0	0	0	0	0	113.4	V274 I275 K276 A349	V274-A278 PolarHBondContact O-N 2.87Å; I275-A278 WeakPolarHBondContact O-CB 3.46Å; I275-A278 PolarHBondContact O-N 2.96Å; K276-A278 PolarHBondContact O-N 2.84Å; K276-A278 VanDerWaalsContact O-N 3.09Å; A278-A349 HydrophobicContact CB-CB 4.29Å
279	F	91.6	Very high	91.8	Very high	179 Å²	179	44.2 Å²	44.2	79%	0.785	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.9	-36.7	-177.7	-54.3	-74.7	0	0	0	113.1	I275 K276 S277	I275-F279 HydrophobicContact CG2-CE2 4.35Å; I275-F279 WeakPolarHBondContact O-CD2 3.48Å; K276-F279 PolarHBondContact O-N 2.94Å; S277-F279 VanDerWaalsContact C-N 3.3Å
280	D	90.3	Very high	91.5	Very high	92 Å²	92	44 Å²	44	49%	0.492	24%	0.236	S	C	.	.	S	Bend	trans	-148.2	86.4	-174.1	-178.1	34.2	0	0	0	109.2	K276	K276-D280 IonicContact NZ-OD2 2.57Å; K276-D280 PolarHBondContact NZ-OD2 3.26Å; K276-D280 CarbonylContact O-C 3.6Å; K276-D280 PolarHBondContact O-N 2.8Å
281	P	89.4	Confident	91.3	Very high	43 Å²	43	44.6 Å²	44.6	28%	0.279	24%	0.239	S	C	.	.			trans	-70	142.7	-175.4	28	-34	0	0	0	112.4
282	P	89.4	Confident	91	Very high	32 Å²	32	43.2 Å²	43.2	21%	0.208	23%	0.234	C	C	.	.			trans	-71.5	134.2	179.8	30.2	-34.9	0	0	0	111.8	F284 Q344 I346	P282-F284 HydrophobicContact CB-CD2 3.98Å; P282-F284 HydrophobicContact CB-CE2 3.97Å; P282-F284 HydrophobicContact CG-CD2 4.39Å; P282-F284 PolarHBondContact O-N 3.5Å; P282-Q344 PolarHBondContact O-NE2 2.97Å; P282-Q344 VanDerWaalsContact O-NE2 3.12Å; P282-I346 HydrophobicContact CG-CB 4.09Å; P282-I346 HydrophobicContact CG-CD1 3.95Å; P282-I346 HydrophobicContact CG-CG2 3.86Å
283	N	88.3	Confident	90.8	Very high	129 Å²	129	41.7 Å²	41.7	69%	0.69	22%	0.221	S	C	*	.			trans	-81.3	86.5	-176.5	-72.4	-25.9	0	0	0	112.9	Q344	N283-Q344 PolarHBondContact OD1-NE2 2.87Å
284	F	89.6	Confident	90.7	Very high	47 Å²	47	41.6 Å²	41.6	21%	0.206	22%	0.22	C	C	.	.			trans	-114.9	92.5	168.1	-70.6	-80.5	0	0	0	109.9	P282 G345 I346 T478 P484	P282-F284 HydrophobicContact CB-CD2 3.98Å; P282-F284 HydrophobicContact CB-CE2 3.97Å; P282-F284 HydrophobicContact CG-CD2 4.39Å; P282-F284 PolarHBondContact O-N 3.5Å; F284-G345 WeakPolarHBondContact O-CA 3.46Å; F284-G345 PolarHBondContact O-N 2.93Å; F284-I346 HydrophobicContact CD2-CD1 4.43Å; F284-T478 HydrophobicContact CD1-CG2 3.98Å; F284-T478 HydrophobicContact CD2-CG2 4.26Å; F284-T478 HydrophobicContact CE1-CG2 3.84Å; F284-T478 HydrophobicContact CE2-CG2 4.12Å; F284-T478 VanDerWaalsContact CE2-O 3.29Å; F284-T478 WeakPolarHBondContact CE2-O 3.46Å; F284-T478 HydrophobicContact CG-CG2 4.19Å; F284-T478 HydrophobicContact CZ-CG2 3.92Å; F284-P484 HydrophobicContact CZ-CG 4.06Å
285	P	91.1	Very high	90.5	Very high	56 Å²	56	41.5 Å²	41.5	36%	0.364	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	143.3	177.4	30.6	-33.7	0	0	0	111.8	E342 I343	P285-E342 HydrophobicContact CB-CG 3.65Å; P285-I343 CarbonylContact C-O 3.49Å; P285-I343 WeakPolarHBondContact CA-O 3.43Å
286	I	91.9	Very high	90	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	147.5	175.9	64.8	174.3	0	0	0	110.5	E342 I343 E458 V460 V461 A469 V470	I286-E342 WeakPolarHBondContact O-CA 3.38Å; I286-I343 HydrophobicContact CD1-CD1 4.07Å; I286-I343 HydrophobicContact CD1-CG1 3.85Å; I286-I343 HydrophobicContact CG1-CD1 4.27Å; I286-I343 HydrophobicContact CG1-CG1 3.5Å; I286-I343 VanDerWaalsContact CG1-CG1 3.5Å; I286-I343 PolarHBondContact N-O 2.68Å; I286-I343 PolarHBondContact O-N 2.94Å; I286-E458 HydrophobicContact CD1-CG 4.19Å; I286-V460 HydrophobicContact CD1-CG2 3.4Å; I286-V461 HydrophobicContact CD1-CG2 3.76Å; I286-V461 HydrophobicContact CG2-CG2 3.88Å; I286-A469 HydrophobicContact CG2-CB 4.38Å; I286-A469 WeakPolarHBondContact CG2-O 3.33Å; I286-V470 HydrophobicContact CG2-CG1 3.75Å
287	C	91.9	Very high	89.2	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.007	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	127.1	-173.6	-162.3	0	0	0	0	111.6	L294 F299 C302	C287-L294 HydrophobicContact CB-CB 4.36Å; C287-L294 HydrophobicContact CB-CD1 4.46Å; C287-L294 WeakPolarHBondContact O-CB 3.32Å; C287-L294 PolarHBondContact O-N 2.92Å; C287-F299 HydrophobicContact CB-CE2 4.02Å; C287-F299 HydrophobicContact CB-CZ 4.05Å; C287-C302 WeakPolarHBondContact CA-SG 3.43Å; C287-C302 HydrophobicContact CB-CB 3.81Å; C287-C302 WeakPolarHBondContact CB-SG 3.09Å; C287-C302 VanDerWaalsContact SG-CA 3.58Å; C287-C302 WeakPolarHBondContact SG-CB 3.1Å; C287-C302 CovalentContact SG-SG 2.03Å; C287-C302 PolarHBondContact SG-SG 2.85Å
288	L	90.9	Very high	88.2	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	140.3	-179.2	-57.6	-178.7	0	0	0	110.7	R292 T293 V340 T341 I343 R371 M374	L288-R292 WeakPolarHBondContact CA-O 3.49Å; L288-T293 HydrophobicContact CD2-CG2 3.92Å; L288-V340 CarbonylContact O-C 3.52Å; L288-V340 WeakPolarHBondContact O-CA 3.27Å; L288-T341 PolarHBondContact N-O 3.34Å; L288-T341 PolarHBondContact O-N 3.02Å; L288-I343 HydrophobicContact CD1-CD1 3.52Å; L288-I343 HydrophobicContact CD1-CG1 3.84Å; L288-I343 HydrophobicContact CD1-CG2 4.44Å; L288-I343 HydrophobicContact CG-CG1 4.4Å; L288-R371 HydrophobicContact CD1-CB 4.39Å; L288-M374 HydrophobicContact CB-CE 3.99Å; L288-M374 HydrophobicContact CD1-CE 3.47Å; L288-M374 VanDerWaalsContact CD1-CE 3.47Å; L288-M374 HydrophobicContact CG-CE 4.37Å
289	L	90	Very high	87.8	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	102.9	171.9	-179.8	68.8	0	0	0	107.7	N291 R292 L294 F321 Y334 F335 N338 V340 Y391	L289-N291 PolarHBondContact O-N 3.34Å; L289-N291 VanDerWaalsContact O-N 3.09Å; L289-R292 PolarHBondContact N-O 3.42Å; L289-R292 PolarHBondContact O-N 2.71Å; L289-L294 HydrophobicContact CB-CD1 4.1Å; L289-L294 HydrophobicContact CB-CD2 4.32Å; L289-L294 HydrophobicContact CB-CG 4.22Å; L289-F321 HydrophobicContact CD2-CE1 4.46Å; L289-F321 HydrophobicContact CD2-CZ 4.36Å; L289-Y334 HydrophobicContact CB-CE1 4.44Å; L289-Y334 HydrophobicContact CD2-CD1 3.72Å; L289-Y334 HydrophobicContact CD2-CE1 3.85Å; L289-Y334 HydrophobicContact CG-CD1 4.09Å; L289-Y334 HydrophobicContact CG-CE1 3.77Å; L289-Y334 WeakPolarHBondContact O-CE1 3.36Å; L289-Y334 PolarHBondContact O-OH 3.45Å; L289-F335 HydrophobicContact CD1-CD2 3.74Å; L289-F335 HydrophobicContact CD1-CE2 4.26Å; L289-F335 HydrophobicContact CD2-CB 4.32Å; L289-F335 HydrophobicContact CD2-CD2 3.87Å; L289-F335 HydrophobicContact CG-CD2 4.48Å; L289-N338 HydrophobicContact CD1-CB 4.48Å; L289-V340 HydrophobicContact CD1-CG2 3.61Å; L289-Y391 HydrophobicContact CD2-CE1 4.22Å
290	G	88.3	Confident	87.1	Confident	5 Å²	5	36 Å²	36	5%	0.052	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	-111.9	-167.4	0	0	0	0	0	111.1	N339 M374	G290-N339 PolarHBondContact N-O 2.77Å; G290-M374 WeakPolarHBondContact O-CE 3.5Å
291	N	89.2	Confident	86.9	Confident	19 Å²	19	35.3 Å²	35.3	10%	0.102	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-9.1	176.1	68.6	-33.9	0	0	0	114.1	L289 Y334 E370 R371 M374 S376	L289-N291 PolarHBondContact O-N 3.34Å; L289-N291 VanDerWaalsContact O-N 3.09Å; N291-Y334 PolarHBondContact N-OH 2.99Å; N291-Y334 PolarHBondContact OD1-OH 3.16Å; N291-E370 PolarHBondContact ND2-OE1 3.43Å; N291-E370 PolarHBondContact ND2-OE2 3.29Å; N291-E370 CarbonylContact O-C 3.59Å; N291-E370 VanDerWaalsContact O-CA 3.25Å; N291-E370 WeakPolarHBondContact O-CA 3.42Å; N291-R371 PolarHBondContact O-N 3.12Å; N291-M374 HydrophobicContact CB-CB 4.43Å; N291-S376 WeakPolarHBondContact OD1-CB 3.31Å; N291-S376 PolarHBondContact OD1-OG 2.82Å
292	R	89.8	Confident	86.8	Confident	30 Å²	30	33.9 Å²	33.9	11%	0.113	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	139.7	-173.2	-65.7	179.5	-179.6	172.1	-1.6	112.5	L288 L289 Y334 I368 E370 Y391	L288-R292 WeakPolarHBondContact CA-O 3.49Å; L289-R292 PolarHBondContact N-O 3.42Å; L289-R292 PolarHBondContact O-N 2.71Å; R292-Y334 HydrophobicContact CB-CE1 4.45Å; R292-Y334 HydrophobicContact CG-CE1 4.11Å; R292-I368 HydrophobicContact CB-CG2 4.05Å; R292-I368 HydrophobicContact CG-CD1 4.41Å; R292-I368 HydrophobicContact CG-CG2 4.07Å; R292-E370 HydrophobicContact CG-CG 4.26Å; R292-E370 IonicContact NE-OE1 3.18Å; R292-Y391 HydrophobicContact CB-CD1 3.98Å; R292-Y391 HydrophobicContact CB-CE1 3.8Å; R292-Y391 HydrophobicContact CG-CE1 4.34Å; R292-Y391 PolarHBondContact NH1-OH 3.18Å
293	T	90.8	Very high	86.8	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	130.4	177.1	-47	0	0	0	0	111.4	L288 V369 V392 A469	L288-T293 HydrophobicContact CD2-CG2 3.92Å; T293-V369 VanDerWaalsContact CB-O 3.24Å; T293-V369 WeakPolarHBondContact CB-O 3.42Å; T293-V369 PolarHBondContact N-O 2.81Å; T293-V369 VanDerWaalsContact N-O 3.13Å; T293-V369 PolarHBondContact OG1-O 3.31Å; T293-V392 HydrophobicContact CG2-CB 4.4Å; T293-V392 HydrophobicContact CG2-CG2 4Å; T293-V392 PolarHBondContact O-N 2.9Å; T293-A469 HydrophobicContact CG2-CB 3.95Å
294	L	90.1	Very high	86.7	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.005	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-97	139.6	175.4	-62.6	173.4	0	0	0	110.8	C287 L289 F299 L317 F321 P390 Y391	C287-L294 HydrophobicContact CB-CB 4.36Å; C287-L294 HydrophobicContact CB-CD1 4.46Å; C287-L294 WeakPolarHBondContact O-CB 3.32Å; C287-L294 PolarHBondContact O-N 2.92Å; L289-L294 HydrophobicContact CB-CD1 4.1Å; L289-L294 HydrophobicContact CB-CD2 4.32Å; L289-L294 HydrophobicContact CB-CG 4.22Å; L294-F299 HydrophobicContact CB-CE1 4.41Å; L294-F299 HydrophobicContact CB-CZ 4.02Å; L294-F299 HydrophobicContact CD1-CZ 4.18Å; L294-L317 HydrophobicContact CD1-CD1 3.99Å; L294-L317 HydrophobicContact CD1-CD2 4.22Å; L294-F321 HydrophobicContact CD2-CE2 3.94Å; L294-F321 HydrophobicContact CD2-CZ 3.68Å; L294-P390 CarbonylContact C-O 3.58Å; L294-P390 VanDerWaalsContact CA-O 3.28Å; L294-P390 WeakPolarHBondContact CA-O 3.4Å; L294-P390 WeakPolarHBondContact CD2-O 3.48Å; L294-Y391 HydrophobicContact CD2-CD1 3.81Å; L294-Y391 HydrophobicContact CD2-CE1 3.88Å
295	S	88.4	Confident	86.5	Confident	8 Å²	8	30.5 Å²	30.5	6%	0.056	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-67.8	135.1	168.2	-173.7	0	0	0	0	108.8	H297 F299 P390 E468	S295-H297 PolarHBondContact O-N 3.14Å; S295-F299 WeakPolarHBondContact O-CE1 3.43Å; S295-P390 PolarHBondContact N-O 3.21Å; S295-E468 PolarHBondContact OG-OE2 3.44Å
296	R	84.1	Confident	86.2	Confident	35 Å²	35	29.4 Å²	29.4	13%	0.132	17%	0.174	C	C	.	.	S	Bend	trans	-79.7	-3.8	-178.8	-161.9	55.8	172.7	-118.5	10.7	112.6	F299 D300 E342 E468 N471	R296-F299 PolarHBondContact NE-O 2.93Å; R296-D300 PolarHBondContact NH2-O 2.76Å; R296-E342 IonicContact CZ-OE1 3.37Å; R296-E342 IonicContact NH1-OE1 3.5Å; R296-E342 PolarHBondContact NH1-OE1 2.81Å; R296-E342 IonicContact NH2-OE1 2.69Å; R296-E342 PolarHBondContact NH2-OE1 2.87Å; R296-E468 PolarHBondContact N-O 3.48Å; R296-N471 HydrophobicContact CB-CB 4.19Å; R296-N471 HydrophobicContact CG-CB 4.16Å
297	H	75.8	Confident	85.7	Confident	96 Å²	96	38.7 Å²	38.7	44%	0.444	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	129.5	174.4	-66.6	-70.4	0	0	0	111.1	S295	S295-H297 PolarHBondContact O-N 3.14Å
298	G	71.6	Confident	85.3	Confident	54 Å²	54	45.7 Å²	45.7	56%	0.557	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	97.6	-15.3	175.9	0	0	0	0	0	116.5
299	F	81.8	Confident	84.9	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.009	28%	0.275	C	S	.	.			trans	-143.9	135	176.7	67.7	-88	0	0	0	114.6	C287 L294 S295 R296 R316 L317 L320	C287-F299 HydrophobicContact CB-CE2 4.02Å; C287-F299 HydrophobicContact CB-CZ 4.05Å; L294-F299 HydrophobicContact CB-CE1 4.41Å; L294-F299 HydrophobicContact CB-CZ 4.02Å; L294-F299 HydrophobicContact CD1-CZ 4.18Å; S295-F299 WeakPolarHBondContact O-CE1 3.43Å; R296-F299 PolarHBondContact NE-O 2.93Å; F299-R316 HydrophobicContact CB-CB 3.99Å; F299-L317 HydrophobicContact CB-CB 4.22Å; F299-L317 HydrophobicContact CD1-CB 4.48Å; F299-L317 HydrophobicContact CD1-CD1 3.84Å; F299-L317 HydrophobicContact CD2-CB 4.18Å; F299-L317 HydrophobicContact CD2-CD1 4.4Å; F299-L317 HydrophobicContact CD2-CD2 4.49Å; F299-L317 HydrophobicContact CE1-CD1 3.71Å; F299-L317 HydrophobicContact CE2-CD1 4.32Å; F299-L317 HydrophobicContact CE2-CD2 4.32Å; F299-L317 HydrophobicContact CG-CB 4.04Å; F299-L317 HydrophobicContact CG-CD1 4.18Å; F299-L317 HydrophobicContact CZ-CD1 3.99Å; F299-L320 HydrophobicContact CD1-CD1 3.91Å
300	D	77.3	Confident	84.7	Confident	106 Å²	106	56.7 Å²	56.7	57%	0.567	32%	0.316	S	S	*	.	S	Bend	trans	-86.6	-32.5	-176.9	-51.5	-54.3	0	0	0	112.6	R296 R316	R296-D300 PolarHBondContact NH2-O 2.76Å; D300-R316 IonicContact OD2-CZ 3.91Å; D300-R316 IonicContact OD2-NH1 2.81Å; D300-R316 PolarHBondContact OD2-NH1 3.23Å; D300-R316 IonicContact OD2-NH2 3.38Å
301	V	85.6	Confident	84.4	Confident	76 Å²	76	63.4 Å²	63.4	46%	0.461	35%	0.346	S	S	.	.			trans	-109.7	119	-172.8	-178.2	0	0	0	0	111	A303 T315	V301-A303 HydrophobicContact CG1-CB 4.06Å; V301-A303 PolarHBondContact O-N 3.35Å; V301-T315 HydrophobicContact CB-CG2 4.45Å; V301-T315 HydrophobicContact CG1-CG2 4.31Å
302	C	87.8	Confident	84.1	Confident	14 Å²	14	65.3 Å²	65.3	10%	0.095	36%	0.359	C	S	.	.			trans	-79.6	62.6	176.4	-175.1	0	0	0	0	112.2	C287 V340 E342	C287-C302 WeakPolarHBondContact CA-SG 3.43Å; C287-C302 HydrophobicContact CB-CB 3.81Å; C287-C302 WeakPolarHBondContact CB-SG 3.09Å; C287-C302 VanDerWaalsContact SG-CA 3.58Å; C287-C302 WeakPolarHBondContact SG-CB 3.1Å; C287-C302 CovalentContact SG-SG 2.03Å; C287-C302 PolarHBondContact SG-SG 2.85Å; C302-V340 VanDerWaalsContact SG-CG1 3.53Å; C302-E342 HydrophobicContact CB-CB 4.11Å; C302-E342 HydrophobicContact CB-CG 4.14Å; C302-E342 VanDerWaalsContact CB-OE1 3.32Å; C302-E342 WeakPolarHBondContact CB-OE1 3.39Å
303	A	87.9	Confident	83.9	Confident	29 Å²	29	66.5 Å²	66.5	24%	0.24	37%	0.369	C	S	.	.	S	Bend	trans	-148.8	158.2	174.7	0	0	0	0	0	110.3	V301 L305 T315	V301-A303 HydrophobicContact CG1-CB 4.06Å; V301-A303 PolarHBondContact O-N 3.35Å; A303-L305 WeakPolarHBondContact CB-O 3.46Å; A303-T315 HydrophobicContact CB-CG2 4.5Å; A303-T315 WeakPolarHBondContact O-CB 3.27Å; A303-T315 WeakPolarHBondContact O-CG2 3.26Å; A303-T315 PolarHBondContact O-OG1 3Å
304	K	86.3	Confident	83.6	Confident	38 Å²	38	67.3 Å²	67.3	17%	0.165	37%	0.374	C	S	.	.	S	Bend	trans	-74.6	-36.4	173.4	-60.6	-168.4	-175.3	178.2	0	112.4	T315 W318 F335 N338 V340	K304-T315 PolarHBondContact O-N 2.99Å; K304-T315 PolarHBondContact O-OG1 3.18Å; K304-W318 HydrophobicContact CB-CE3 4.15Å; K304-W318 HydrophobicContact CB-CZ3 4.38Å; K304-F335 HydrophobicContact CB-CZ 4.35Å; K304-F335 HydrophobicContact CD-CE1 4.12Å; K304-F335 HydrophobicContact CD-CE2 4.46Å; K304-F335 HydrophobicContact CD-CZ 3.93Å; K304-F335 WeakPolarHBondContact CE-O 3.39Å; K304-F335 HydrophobicContact CG-CE1 4.36Å; K304-F335 HydrophobicContact CG-CE2 4.21Å; K304-F335 HydrophobicContact CG-CZ 3.72Å; K304-F335 PolarHBondContact NZ-O 3.31Å; K304-N338 VanDerWaalsContact CE-O 3.26Å; K304-N338 WeakPolarHBondContact CE-O 3.25Å; K304-N338 PolarHBondContact NZ-O 2.87Å; K304-V340 HydrophobicContact CD-CG2 4.48Å; K304-V340 HydrophobicContact CG-CB 4.38Å; K304-V340 HydrophobicContact CG-CG2 3.73Å
305	L	86.5	Confident	83.5	Confident	70 Å²	70	67.9 Å²	67.9	37%	0.366	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	143.9	-179	-58.2	175.5	0	0	0	108.8	A303 V313 T314 L327	A303-L305 WeakPolarHBondContact CB-O 3.46Å; L305-V313 WeakPolarHBondContact CA-O 3.32Å; L305-T314 HydrophobicContact CD2-CG2 4.21Å; L305-L327 HydrophobicContact CD2-CD2 3.83Å
306	A	84.6	Confident	83.3	Confident	33 Å²	33	74.8 Å²	74.8	27%	0.273	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	154.6	169.4	0	0	0	0	0	109.7	V313 T315	A306-V313 PolarHBondContact N-O 2.94Å; A306-V313 PolarHBondContact O-N 3.36Å; A306-T315 HydrophobicContact CB-CG2 3.84Å
307	W	82.1	Confident	83.4	Confident	194 Å²	194	73.1 Å²	73.1	74%	0.735	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	117.7	172.8	-67	94.4	0	0	0	108.8	T312	W307-T312 HydrophobicContact CD2-CG2 4Å; W307-T312 HydrophobicContact CE3-CG2 3.76Å; W307-T312 HydrophobicContact CH2-CG2 3.45Å; W307-T312 VanDerWaalsContact CH2-CG2 3.45Å; W307-T312 HydrophobicContact CZ2-CG2 3.68Å; W307-T312 HydrophobicContact CZ3-CG2 3.49Å; W307-T312 VanDerWaalsContact CZ3-CG2 3.49Å
308	E	82.3	Confident	84	Confident	148 Å²	148	70 Å²	70	69%	0.692	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	94.6	174.7	-162.1	161.7	-153	0	0	107.5	E311 V313	E308-E311 PolarHBondContact N-O 2.88Å; E308-E311 VanDerWaalsContact N-O 3.07Å; E308-V313 HydrophobicContact CB-CB 4.5Å; E308-V313 HydrophobicContact CB-CG2 3.85Å
309	G	83	Confident	84.6	Confident	68 Å²	68	69.2 Å²	69.2	70%	0.701	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	-130.7	-164	0	0	0	0	0	111.8
310	N	85.7	Confident	84.7	Confident	163 Å²	163	72.5 Å²	72.5	87%	0.872	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	0.9	177.5	-80.3	-2.9	0	0	0	113.5
311	E	82.1	Confident	85.1	Confident	147 Å²	147	67.8 Å²	67.8	69%	0.687	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	145.2	-176.7	-63.9	-171.2	173.1	0	0	111.9	E308	E308-E311 PolarHBondContact N-O 2.88Å; E308-E311 VanDerWaalsContact N-O 3.07Å
312	T	83.1	Confident	85.2	Confident	59 Å²	59	64.8 Å²	64.8	36%	0.362	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	108.1	174.3	44.7	0	0	0	0	110.4	W307	W307-T312 HydrophobicContact CD2-CG2 4Å; W307-T312 HydrophobicContact CE3-CG2 3.76Å; W307-T312 HydrophobicContact CH2-CG2 3.45Å; W307-T312 VanDerWaalsContact CH2-CG2 3.45Å; W307-T312 HydrophobicContact CZ2-CG2 3.68Å; W307-T312 HydrophobicContact CZ3-CG2 3.49Å; W307-T312 VanDerWaalsContact CZ3-CG2 3.49Å
313	V	84.7	Confident	85	Confident	54 Å²	54	68.2 Å²	68.2	33%	0.327	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	141.1	179.6	-174.4	0	0	0	0	109.7	L305 A306 E308	L305-V313 WeakPolarHBondContact CA-O 3.32Å; A306-V313 PolarHBondContact N-O 2.94Å; A306-V313 PolarHBondContact O-N 3.36Å; E308-V313 HydrophobicContact CB-CB 4.5Å; E308-V313 HydrophobicContact CB-CG2 3.85Å
314	T	84.9	Confident	84.7	Confident	19 Å²	19	69 Å²	69	12%	0.117	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	134.4	174.1	60.3	0	0	0	0	110.6	L305 W318 R325 L327	L305-T314 HydrophobicContact CD2-CG2 4.21Å; T314-W318 HydrophobicContact CG2-CB 4.49Å; T314-W318 HydrophobicContact CG2-CD2 3.93Å; T314-W318 HydrophobicContact CG2-CG 3.84Å; T314-R325 PolarHBondContact OG1-O 3.03Å; T314-L327 HydrophobicContact CG2-CG 4.19Å
315	T	87.3	Confident	84.4	Confident	13 Å²	13	76.4 Å²	76.4	8%	0.08	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-73.2	171.5	178.2	61.6	0	0	0	0	112.5	V301 A303 K304 A306 L317 W318	V301-T315 HydrophobicContact CB-CG2 4.45Å; V301-T315 HydrophobicContact CG1-CG2 4.31Å; A303-T315 HydrophobicContact CB-CG2 4.5Å; A303-T315 WeakPolarHBondContact O-CB 3.27Å; A303-T315 WeakPolarHBondContact O-CG2 3.26Å; A303-T315 PolarHBondContact O-OG1 3Å; K304-T315 PolarHBondContact O-N 2.99Å; K304-T315 PolarHBondContact O-OG1 3.18Å; A306-T315 HydrophobicContact CB-CG2 3.84Å; T315-L317 PolarHBondContact O-N 3.17Å; T315-L317 PolarHBondContact OG1-N 2.68Å; T315-W318 WeakPolarHBondContact O-CB 3.48Å; T315-W318 PolarHBondContact O-N 2.76Å; T315-W318 VanDerWaalsContact O-N 3.16Å; T315-W318 PolarHBondContact OG1-N 2.81Å
316	R	84.8	Confident	84.2	Confident	153 Å²	153	78.9 Å²	78.9	58%	0.577	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-34.2	169.3	-68.1	-171.6	-172.5	150.3	10.8	112.4	F299 D300 W318 G319 L320	F299-R316 HydrophobicContact CB-CB 3.99Å; D300-R316 IonicContact OD2-CZ 3.91Å; D300-R316 IonicContact OD2-NH1 2.81Å; D300-R316 PolarHBondContact OD2-NH1 3.23Å; D300-R316 IonicContact OD2-NH2 3.38Å; R316-W318 VanDerWaalsContact C-N 3.3Å; R316-W318 PolarHBondContact O-N 3.44Å; R316-G319 PolarHBondContact O-N 3.07Å; R316-G319 VanDerWaalsContact O-N 3.07Å; R316-L320 PolarHBondContact O-N 2.86Å
317	L	87.5	Confident	83.9	Confident	0 Å²	0	81.9 Å²	81.9	0%	0	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-37.5	176.1	-179.6	62.2	0	0	0	112.3	L294 F299 T315 G319 L320 F321 F335 V340	L294-L317 HydrophobicContact CD1-CD1 3.99Å; L294-L317 HydrophobicContact CD1-CD2 4.22Å; F299-L317 HydrophobicContact CB-CB 4.22Å; F299-L317 HydrophobicContact CD1-CB 4.48Å; F299-L317 HydrophobicContact CD1-CD1 3.84Å; F299-L317 HydrophobicContact CD2-CB 4.18Å; F299-L317 HydrophobicContact CD2-CD1 4.4Å; F299-L317 HydrophobicContact CD2-CD2 4.49Å; F299-L317 HydrophobicContact CE1-CD1 3.71Å; F299-L317 HydrophobicContact CE2-CD1 4.32Å; F299-L317 HydrophobicContact CE2-CD2 4.32Å; F299-L317 HydrophobicContact CG-CB 4.04Å; F299-L317 HydrophobicContact CG-CD1 4.18Å; F299-L317 HydrophobicContact CZ-CD1 3.99Å; T315-L317 PolarHBondContact O-N 3.17Å; T315-L317 PolarHBondContact OG1-N 2.68Å; L317-G319 VanDerWaalsContact C-N 3.3Å; L317-G319 PolarHBondContact O-N 2.91Å; L317-L320 PolarHBondContact O-N 3.34Å; L317-F321 HydrophobicContact CD1-CD2 3.94Å; L317-F321 HydrophobicContact CD1-CE2 3.7Å; L317-F335 HydrophobicContact CG-CE2 4.28Å; L317-V340 HydrophobicContact CD2-CG1 4.08Å; L317-V340 HydrophobicContact CD2-CG2 4.04Å
318	W	87.3	Confident	83.8	Confident	31 Å²	31	80.6 Å²	80.6	12%	0.117	43%	0.432	C	S	.	.	H	α-helix	trans	-58.9	-42.2	173.2	-172.9	-82.8	0	0	0	111.8	K304 T314 T315 R316 L320 F321 C322 S324 L326 F335	K304-W318 HydrophobicContact CB-CE3 4.15Å; K304-W318 HydrophobicContact CB-CZ3 4.38Å; T314-W318 HydrophobicContact CG2-CB 4.49Å; T314-W318 HydrophobicContact CG2-CD2 3.93Å; T314-W318 HydrophobicContact CG2-CG 3.84Å; T315-W318 WeakPolarHBondContact O-CB 3.48Å; T315-W318 PolarHBondContact O-N 2.76Å; T315-W318 VanDerWaalsContact O-N 3.16Å; T315-W318 PolarHBondContact OG1-N 2.81Å; R316-W318 VanDerWaalsContact C-N 3.3Å; R316-W318 PolarHBondContact O-N 3.44Å; W318-L320 PolarHBondContact O-N 3.4Å; W318-F321 PolarHBondContact O-N 2.76Å; W318-C322 VanDerWaalsContact CE2-SG 3.55Å; W318-C322 HydrophobicContact CG-CB 4.42Å; W318-C322 WeakPolarHBondContact O-CB 3.44Å; W318-C322 PolarHBondContact O-N 3.21Å; W318-C322 PolarHBondContact O-SG 3.09Å; W318-S324 PolarHBondContact NE1-O 3.34Å; W318-L326 PolarHBondContact NE1-O 2.7Å; W318-F335 HydrophobicContact CD2-CE1 4.4Å; W318-F335 AromaticContact CE3-CE1 3.86Å; W318-F335 HydrophobicContact CE3-CE1 3.86Å; W318-F335 HydrophobicContact CE3-CZ 4.3Å; W318-F335 HydrophobicContact CZ3-CE1 4.21Å
319	G	84	Confident	83.7	Confident	36 Å²	36	74.4 Å²	74.4	37%	0.371	41%	0.406	S	S	.	.	H	α-helix	trans	-69.7	-8	178.6	0	0	0	0	0	115.5	R316 L317	R316-G319 PolarHBondContact O-N 3.07Å; R316-G319 VanDerWaalsContact O-N 3.07Å; L317-G319 VanDerWaalsContact C-N 3.3Å; L317-G319 PolarHBondContact O-N 2.91Å
320	L	84.5	Confident	83.8	Confident	71 Å²	71	76.4 Å²	76.4	37%	0.372	41%	0.405	S	S	.	.	H	α-helix	trans	-94.4	-17.4	174.6	-62.5	171.9	0	0	0	112.8	F299 R316 L317 W318 P390	F299-L320 HydrophobicContact CD1-CD1 3.91Å; R316-L320 PolarHBondContact O-N 2.86Å; L317-L320 PolarHBondContact O-N 3.34Å; W318-L320 PolarHBondContact O-N 3.4Å; L320-P390 HydrophobicContact CB-CG 4.1Å; L320-P390 HydrophobicContact CD1-CB 4.39Å; L320-P390 HydrophobicContact CD1-CG 3.97Å
321	F	86.1	Confident	83.7	Confident	8 Å²	8	70.2 Å²	70.2	4%	0.035	37%	0.374	C	S	.	.	H	α-helix	trans	-120.4	-0.8	-178.9	-72.9	-78.6	0	0	0	113.7	L289 L294 L317 W318 C331 D332 F335 H389 P390 Y391	L289-F321 HydrophobicContact CD2-CE1 4.46Å; L289-F321 HydrophobicContact CD2-CZ 4.36Å; L294-F321 HydrophobicContact CD2-CE2 3.94Å; L294-F321 HydrophobicContact CD2-CZ 3.68Å; L317-F321 HydrophobicContact CD1-CD2 3.94Å; L317-F321 HydrophobicContact CD1-CE2 3.7Å; W318-F321 PolarHBondContact O-N 2.76Å; F321-C331 CarbonylContact O-C 3.57Å; F321-C331 WeakPolarHBondContact O-CA 3.08Å; F321-D332 HydrophobicContact CD1-CB 4.36Å; F321-D332 PolarHBondContact O-N 3.37Å; F321-F335 HydrophobicContact CB-CB 3.96Å; F321-F335 HydrophobicContact CB-CD1 3.87Å; F321-F335 HydrophobicContact CB-CD2 3.78Å; F321-F335 HydrophobicContact CB-CE1 4.27Å; F321-F335 HydrophobicContact CB-CE2 4.19Å; F321-F335 HydrophobicContact CB-CG 3.6Å; F321-F335 HydrophobicContact CB-CZ 4.41Å; F321-F335 HydrophobicContact CD1-CB 4.18Å; F321-F335 HydrophobicContact CD1-CD2 4.3Å; F321-F335 HydrophobicContact CD1-CG 4.43Å; F321-F335 AromaticContact CD2-CD2 3.69Å; F321-F335 HydrophobicContact CD2-CD2 3.69Å; F321-F335 AromaticContact CD2-CE2 3.85Å; F321-F335 HydrophobicContact CD2-CE2 3.85Å; F321-F335 HydrophobicContact CD2-CG 4.39Å; F321-F335 HydrophobicContact CE2-CD2 4.37Å; F321-F335 HydrophobicContact CG-CB 4.14Å; F321-F335 AromaticContact CG-CD2 3.66Å; F321-F335 HydrophobicContact CG-CD2 3.66Å; F321-F335 HydrophobicContact CG-CE2 4.18Å; F321-F335 AromaticContact CG-CG 3.91Å; F321-F335 HydrophobicContact CG-CG 3.91Å; F321-H389 AromaticContact CD1-CD2 3.36Å; F321-H389 WeakPolarHBondContact CD1-CD2 3.39Å; F321-H389 AromaticContact CD1-NE2 3.9Å; F321-H389 HydrophobicContact CE1-CB 3.97Å; F321-H389 AromaticContact CE1-CD2 3.41Å; F321-H389 VanDerWaalsContact CE1-CD2 3.41Å; F321-H389 WeakPolarHBondContact CE1-CD2 3.44Å; F321-H389 AromaticContact CE1-CG 3.87Å; F321-H389 HydrophobicContact CZ-CB 4.42Å; F321-P390 HydrophobicContact CE2-CG 3.6Å; F321-P390 HydrophobicContact CZ-CG 3.74Å; F321-Y391 HydrophobicContact CE1-CE1 4.43Å; F321-Y391 AromaticContact CE1-CE2 3.87Å; F321-Y391 HydrophobicContact CE1-CE2 3.87Å; F321-Y391 AromaticContact CE1-CZ 3.7Å; F321-Y391 HydrophobicContact CZ-CE1 4.28Å; F321-Y391 HydrophobicContact CZ-CE2 4.29Å; F321-Y391 AromaticContact CZ-CZ 3.99Å
322	C	86.8	Confident	83.8	Confident	12 Å²	12	65.2 Å²	65.2	8%	0.081	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-137	145.8	-176.6	-53.1	0	0	0	0	111.6	W318 S324 A329 T330 C331	W318-C322 VanDerWaalsContact CE2-SG 3.55Å; W318-C322 HydrophobicContact CG-CB 4.42Å; W318-C322 WeakPolarHBondContact O-CB 3.44Å; W318-C322 PolarHBondContact O-N 3.21Å; W318-C322 PolarHBondContact O-SG 3.09Å; C322-S324 PolarHBondContact O-N 3.44Å; C322-S324 VanDerWaalsContact O-N 3.07Å; C322-A329 HydrophobicContact CB-CB 3.97Å; C322-T330 WeakPolarHBondContact CA-O 3.32Å; C322-C331 HydrophobicContact CB-CB 4Å; C322-C331 WeakPolarHBondContact CB-SG 3.37Å; C322-C331 WeakPolarHBondContact SG-CB 3.43Å; C322-C331 CovalentContact SG-SG 2.03Å; C322-C331 PolarHBondContact SG-SG 3.46Å
323	S	83.4	Confident	83.9	Confident	87 Å²	87	66.5 Å²	66.5	61%	0.608	35%	0.354	S	S	*	.	S	Bend	trans	-64	-15.1	-175	58	0	0	0	0	115.7	T330	S323-T330 WeakPolarHBondContact CB-OG1 3.32Å; S323-T330 PolarHBondContact N-O 2.9Å; S323-T330 PolarHBondContact OG-N 3.37Å; S323-T330 PolarHBondContact OG-O 3.11Å; S323-T330 PolarHBondContact OG-OG1 2.96Å
324	S	82.7	Confident	83.9	Confident	45 Å²	45	64 Å²	64	32%	0.315	34%	0.339	S	S	.	.	S	Bend	trans	-157.4	167.4	172.9	69.1	0	0	0	0	112.2	W318 C322 L326 A329	W318-S324 PolarHBondContact NE1-O 3.34Å; C322-S324 PolarHBondContact O-N 3.44Å; C322-S324 VanDerWaalsContact O-N 3.07Å; S324-L326 PolarHBondContact O-N 3.06Å; S324-A329 WeakPolarHBondContact O-CB 3.23Å; S324-A329 WeakPolarHBondContact OG-CB 3.46Å
325	R	80.1	Confident	84	Confident	194 Å²	194	63.1 Å²	63.1	73%	0.732	33%	0.333	S	S	*	.	S	Bend	trans	-77	14.9	174.5	-58.9	-175.8	-174.4	173.8	2.9	114	T314	T314-R325 PolarHBondContact OG1-O 3.03Å
326	L	80.7	Confident	84	Confident	121 Å²	121	66.3 Å²	66.3	63%	0.634	35%	0.353	S	S	*	.	S	Bend	trans	-95	144.2	175.7	-66.4	165.9	0	0	0	109.1	W318 S324 N328 A329	W318-L326 PolarHBondContact NE1-O 2.7Å; S324-L326 PolarHBondContact O-N 3.06Å; L326-N328 PolarHBondContact O-N 3.29Å; L326-N328 VanDerWaalsContact O-N 3.13Å; L326-A329 WeakPolarHBondContact O-CB 3.49Å; L326-A329 PolarHBondContact O-N 3.07Å
327	L	79	Confident	84.1	Confident	96 Å²	96	65 Å²	65	50%	0.503	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-22.4	176.4	-76.1	142.7	0	0	0	113.2	L305 T314 A329	L305-L327 HydrophobicContact CD2-CD2 3.83Å; T314-L327 HydrophobicContact CG2-CG 4.19Å; L327-A329 VanDerWaalsContact C-N 3.33Å
328	N	80.3	Confident	84.2	Confident	167 Å²	167	65.2 Å²	65.2	89%	0.893	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	12.3	177.6	-63.5	-8.2	0	0	0	113.6	L326	L326-N328 PolarHBondContact O-N 3.29Å; L326-N328 VanDerWaalsContact O-N 3.13Å
329	A	80.8	Confident	84.3	Confident	18 Å²	18	69.7 Å²	69.7	15%	0.149	38%	0.375	C	S	.	.	S	Bend	trans	-67.6	151.2	179.4	0	0	0	0	0	112.6	C322 S324 L326 L327 C331	C322-A329 HydrophobicContact CB-CB 3.97Å; S324-A329 WeakPolarHBondContact O-CB 3.23Å; S324-A329 WeakPolarHBondContact OG-CB 3.46Å; L326-A329 WeakPolarHBondContact O-CB 3.49Å; L326-A329 PolarHBondContact O-N 3.07Å; L327-A329 VanDerWaalsContact C-N 3.33Å; A329-C331 PolarHBondContact O-N 3.45Å
330	T	84.3	Confident	84.6	Confident	110 Å²	110	69.2 Å²	69.2	68%	0.675	37%	0.365	S	S	*	.			trans	-73.8	120.4	164.5	54.3	0	0	0	0	108.8	C322 S323	C322-T330 WeakPolarHBondContact CA-O 3.32Å; S323-T330 WeakPolarHBondContact CB-OG1 3.32Å; S323-T330 PolarHBondContact N-O 2.9Å; S323-T330 PolarHBondContact OG-N 3.37Å; S323-T330 PolarHBondContact OG-O 3.11Å; S323-T330 PolarHBondContact OG-OG1 2.96Å
331	C	84.1	Confident	84.9	Confident	33 Å²	33	68.3 Å²	68.3	22%	0.223	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-115.5	160.5	-178.9	-62.8	0	0	0	0	111.4	F321 C322 A329 F335 T336	F321-C331 CarbonylContact O-C 3.57Å; F321-C331 WeakPolarHBondContact O-CA 3.08Å; C322-C331 HydrophobicContact CB-CB 4Å; C322-C331 WeakPolarHBondContact CB-SG 3.37Å; C322-C331 WeakPolarHBondContact SG-CB 3.43Å; C322-C331 CovalentContact SG-SG 2.03Å; C322-C331 PolarHBondContact SG-SG 3.46Å; A329-C331 PolarHBondContact O-N 3.45Å; C331-F335 HydrophobicContact CB-CD1 4.37Å; C331-T336 HydrophobicContact CB-CG2 3.69Å
332	D	84.7	Confident	85.1	Confident	42 Å²	42	72.3 Å²	72.3	23%	0.225	38%	0.382	C	S	.	.			trans	-54.6	142.8	171.2	169.2	50.9	0	0	0	112.9	F321 Y334 F335 T336	F321-D332 HydrophobicContact CD1-CB 4.36Å; F321-D332 PolarHBondContact O-N 3.37Å; D332-Y334 PolarHBondContact OD1-N 3.24Å; D332-Y334 WeakPolarHBondContact OD2-CA 3.39Å; D332-Y334 WeakPolarHBondContact OD2-CB 3.45Å; D332-Y334 PolarHBondContact OD2-N 3.08Å; D332-F335 HydrophobicContact CB-CB 3.97Å; D332-F335 PolarHBondContact O-N 3.43Å; D332-F335 PolarHBondContact OD2-N 3.27Å; D332-T336 WeakPolarHBondContact O-CG2 3.39Å; D332-T336 PolarHBondContact O-N 2.94Å; D332-T336 PolarHBondContact O-OG1 3.23Å
333	E	83.8	Confident	85.4	Confident	86 Å²	86	73.3 Å²	73.3	40%	0.402	39%	0.386	S	S	.	.	H	α-helix	trans	-70.5	-31.6	-176.1	-172.1	-177.7	166.3	0	0	111.6	T336 R337 L379	E333-T336 PolarHBondContact O-OG1 3.46Å; E333-T336 VanDerWaalsContact O-OG1 3.13Å; E333-R337 WeakPolarHBondContact O-CG 3.37Å; E333-R337 PolarHBondContact O-N 3.32Å; E333-R337 IonicContact OE1-CZ 2.85Å; E333-R337 IonicContact OE1-NH1 3.48Å; E333-R337 PolarHBondContact OE1-NH1 3.44Å; E333-R337 IonicContact OE1-NH2 3.63Å; E333-R337 PolarHBondContact OE1-NH2 2.64Å; E333-L379 HydrophobicContact CB-CD2 3.76Å; E333-L379 VanDerWaalsContact CD-CD2 3.4Å; E333-L379 HydrophobicContact CG-CD2 3.54Å
334	Y	85.4	Confident	85.7	Confident	2 Å²	2	72 Å²	72	1%	0.008	37%	0.37	C	S	.	.	H	α-helix	trans	-75.7	-41.7	173.2	-175.2	-89.3	0	0	0	111.5	L289 N291 R292 D332 T336 R337 N338	L289-Y334 HydrophobicContact CB-CE1 4.44Å; L289-Y334 HydrophobicContact CD2-CD1 3.72Å; L289-Y334 HydrophobicContact CD2-CE1 3.85Å; L289-Y334 HydrophobicContact CG-CD1 4.09Å; L289-Y334 HydrophobicContact CG-CE1 3.77Å; L289-Y334 WeakPolarHBondContact O-CE1 3.36Å; L289-Y334 PolarHBondContact O-OH 3.45Å; N291-Y334 PolarHBondContact N-OH 2.99Å; N291-Y334 PolarHBondContact OD1-OH 3.16Å; R292-Y334 HydrophobicContact CB-CE1 4.45Å; R292-Y334 HydrophobicContact CG-CE1 4.11Å; D332-Y334 PolarHBondContact OD1-N 3.24Å; D332-Y334 WeakPolarHBondContact OD2-CA 3.39Å; D332-Y334 WeakPolarHBondContact OD2-CB 3.45Å; D332-Y334 PolarHBondContact OD2-N 3.08Å; Y334-T336 PolarHBondContact O-N 3.08Å; Y334-R337 PolarHBondContact O-N 3.33Å; Y334-N338 VanDerWaalsContact CD2-ND2 3.31Å; Y334-N338 WeakPolarHBondContact CD2-ND2 3.35Å; Y334-N338 HydrophobicContact CE1-CB 4.24Å; Y334-N338 WeakPolarHBondContact CE2-ND2 3.34Å; Y334-N338 WeakPolarHBondContact O-CB 3.37Å; Y334-N338 PolarHBondContact O-N 3.12Å; Y334-N338 VanDerWaalsContact O-N 3.13Å; Y334-N338 PolarHBondContact O-ND2 3.04Å
335	F	87.6	Confident	86	Confident	1 Å²	1	70 Å²	70	0%	0.004	36%	0.356	C	S	.	.	H	α-helix	trans	-62	-37	175.6	-176.3	-101.7	0	0	0	113.4	L289 K304 L317 W318 F321 C331 D332 V340	L289-F335 HydrophobicContact CD1-CD2 3.74Å; L289-F335 HydrophobicContact CD1-CE2 4.26Å; L289-F335 HydrophobicContact CD2-CB 4.32Å; L289-F335 HydrophobicContact CD2-CD2 3.87Å; L289-F335 HydrophobicContact CG-CD2 4.48Å; K304-F335 HydrophobicContact CB-CZ 4.35Å; K304-F335 HydrophobicContact CD-CE1 4.12Å; K304-F335 HydrophobicContact CD-CE2 4.46Å; K304-F335 HydrophobicContact CD-CZ 3.93Å; K304-F335 WeakPolarHBondContact CE-O 3.39Å; K304-F335 HydrophobicContact CG-CE1 4.36Å; K304-F335 HydrophobicContact CG-CE2 4.21Å; K304-F335 HydrophobicContact CG-CZ 3.72Å; K304-F335 PolarHBondContact NZ-O 3.31Å; L317-F335 HydrophobicContact CG-CE2 4.28Å; W318-F335 HydrophobicContact CD2-CE1 4.4Å; W318-F335 AromaticContact CE3-CE1 3.86Å; W318-F335 HydrophobicContact CE3-CE1 3.86Å; W318-F335 HydrophobicContact CE3-CZ 4.3Å; W318-F335 HydrophobicContact CZ3-CE1 4.21Å; F321-F335 HydrophobicContact CB-CB 3.96Å; F321-F335 HydrophobicContact CB-CD1 3.87Å; F321-F335 HydrophobicContact CB-CD2 3.78Å; F321-F335 HydrophobicContact CB-CE1 4.27Å; F321-F335 HydrophobicContact CB-CE2 4.19Å; F321-F335 HydrophobicContact CB-CG 3.6Å; F321-F335 HydrophobicContact CB-CZ 4.41Å; F321-F335 HydrophobicContact CD1-CB 4.18Å; F321-F335 HydrophobicContact CD1-CD2 4.3Å; F321-F335 HydrophobicContact CD1-CG 4.43Å; F321-F335 AromaticContact CD2-CD2 3.69Å; F321-F335 HydrophobicContact CD2-CD2 3.69Å; F321-F335 AromaticContact CD2-CE2 3.85Å; F321-F335 HydrophobicContact CD2-CE2 3.85Å; F321-F335 HydrophobicContact CD2-CG 4.39Å; F321-F335 HydrophobicContact CE2-CD2 4.37Å; F321-F335 HydrophobicContact CG-CB 4.14Å; F321-F335 AromaticContact CG-CD2 3.66Å; F321-F335 HydrophobicContact CG-CD2 3.66Å; F321-F335 HydrophobicContact CG-CE2 4.18Å; F321-F335 AromaticContact CG-CG 3.91Å; F321-F335 HydrophobicContact CG-CG 3.91Å; C331-F335 HydrophobicContact CB-CD1 4.37Å; D332-F335 HydrophobicContact CB-CB 3.97Å; D332-F335 PolarHBondContact O-N 3.43Å; D332-F335 PolarHBondContact OD2-N 3.27Å; F335-V340 HydrophobicContact CE2-CG2 4.23Å
336	T	86.8	Confident	86.5	Confident	80 Å²	80	60.8 Å²	60.8	49%	0.491	32%	0.321	S	S	.	.	H	α-helix	trans	-70.9	-40.7	177.1	46.7	0	0	0	0	112.6	C331 D332 E333 Y334	C331-T336 HydrophobicContact CB-CG2 3.69Å; D332-T336 WeakPolarHBondContact O-CG2 3.39Å; D332-T336 PolarHBondContact O-N 2.94Å; D332-T336 PolarHBondContact O-OG1 3.23Å; E333-T336 PolarHBondContact O-OG1 3.46Å; E333-T336 VanDerWaalsContact O-OG1 3.13Å; Y334-T336 PolarHBondContact O-N 3.08Å
337	R	87.4	Confident	86.9	Confident	124 Å²	124	56.8 Å²	56.8	47%	0.468	30%	0.302	S	S	.	.	H	α-helix	trans	-75.5	-29.1	-176.9	-72.8	-179.9	176.2	148.3	15.4	115.4	E333 Y334 V377	E333-R337 WeakPolarHBondContact O-CG 3.37Å; E333-R337 PolarHBondContact O-N 3.32Å; E333-R337 IonicContact OE1-CZ 2.85Å; E333-R337 IonicContact OE1-NH1 3.48Å; E333-R337 PolarHBondContact OE1-NH1 3.44Å; E333-R337 IonicContact OE1-NH2 3.63Å; E333-R337 PolarHBondContact OE1-NH2 2.64Å; Y334-R337 PolarHBondContact O-N 3.33Å; R337-V377 HydrophobicContact CB-CB 4.39Å
338	N	88.1	Confident	87.3	Confident	6 Å²	6	52.2 Å²	52.2	3%	0.032	28%	0.279	C	S	.	.	S	Bend	trans	-108.3	143.6	-172.3	-66.4	-76.6	0	0	0	112.2	L289 K304 Y334 S376 V377	L289-N338 HydrophobicContact CD1-CB 4.48Å; K304-N338 VanDerWaalsContact CE-O 3.26Å; K304-N338 WeakPolarHBondContact CE-O 3.25Å; K304-N338 PolarHBondContact NZ-O 2.87Å; Y334-N338 VanDerWaalsContact CD2-ND2 3.31Å; Y334-N338 WeakPolarHBondContact CD2-ND2 3.35Å; Y334-N338 HydrophobicContact CE1-CB 4.24Å; Y334-N338 WeakPolarHBondContact CE2-ND2 3.34Å; Y334-N338 WeakPolarHBondContact O-CB 3.37Å; Y334-N338 PolarHBondContact O-N 3.12Å; Y334-N338 VanDerWaalsContact O-N 3.13Å; Y334-N338 PolarHBondContact O-ND2 3.04Å; N338-S376 WeakPolarHBondContact OD1-CA 3.42Å; N338-V377 PolarHBondContact ND2-O 3.28Å; N338-V377 PolarHBondContact OD1-N 2.97Å
339	N	90.7	Very high	87.7	Confident	124 Å²	124	46.2 Å²	46.2	66%	0.663	25%	0.253	S	S	*	.			trans	-78.8	151.8	175.9	-75.5	-17.3	0	0	0	111.5	G290	G290-N339 PolarHBondContact N-O 2.77Å
340	V	90.4	Very high	88	Confident	26 Å²	26	49.4 Å²	49.4	16%	0.158	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	131.3	169.2	176	0	0	0	0	107.9	L288 L289 C302 K304 L317 F335	L288-V340 CarbonylContact O-C 3.52Å; L288-V340 WeakPolarHBondContact O-CA 3.27Å; L289-V340 HydrophobicContact CD1-CG2 3.61Å; C302-V340 VanDerWaalsContact SG-CG1 3.53Å; K304-V340 HydrophobicContact CD-CG2 4.48Å; K304-V340 HydrophobicContact CG-CB 4.38Å; K304-V340 HydrophobicContact CG-CG2 3.73Å; L317-V340 HydrophobicContact CD2-CG1 4.08Å; L317-V340 HydrophobicContact CD2-CG2 4.04Å; F335-V340 HydrophobicContact CE2-CG2 4.23Å
341	T	90.8	Very high	87.9	Confident	52 Å²	52	46.9 Å²	46.9	32%	0.319	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	135.7	-179.5	55.1	0	0	0	0	110.2	L288 M374	L288-T341 PolarHBondContact N-O 3.34Å; L288-T341 PolarHBondContact O-N 3.02Å; T341-M374 WeakPolarHBondContact OG1-CE 3.36Å
342	E	90.1	Very high	88	Confident	93 Å²	93	47.4 Å²	47.4	44%	0.435	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	129.9	173.8	-164.8	159	-128.6	0	0	109.3	P285 I286 R296 C302	P285-E342 HydrophobicContact CB-CG 3.65Å; I286-E342 WeakPolarHBondContact O-CA 3.38Å; R296-E342 IonicContact CZ-OE1 3.37Å; R296-E342 IonicContact NH1-OE1 3.5Å; R296-E342 PolarHBondContact NH1-OE1 2.81Å; R296-E342 IonicContact NH2-OE1 2.69Å; R296-E342 PolarHBondContact NH2-OE1 2.87Å; C302-E342 HydrophobicContact CB-CB 4.11Å; C302-E342 HydrophobicContact CB-CG 4.14Å; C302-E342 VanDerWaalsContact CB-OE1 3.32Å; C302-E342 WeakPolarHBondContact CB-OE1 3.39Å
343	I	91.5	Very high	88.2	Confident	33 Å²	33	45.8 Å²	45.8	17%	0.169	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	161.6	178.1	71.5	165.2	0	0	0	111.1	P285 I286 L288 R371 E458	P285-I343 CarbonylContact C-O 3.49Å; P285-I343 WeakPolarHBondContact CA-O 3.43Å; I286-I343 HydrophobicContact CD1-CD1 4.07Å; I286-I343 HydrophobicContact CD1-CG1 3.85Å; I286-I343 HydrophobicContact CG1-CD1 4.27Å; I286-I343 HydrophobicContact CG1-CG1 3.5Å; I286-I343 VanDerWaalsContact CG1-CG1 3.5Å; I286-I343 PolarHBondContact N-O 2.68Å; I286-I343 PolarHBondContact O-N 2.94Å; L288-I343 HydrophobicContact CD1-CD1 3.52Å; L288-I343 HydrophobicContact CD1-CG1 3.84Å; L288-I343 HydrophobicContact CD1-CG2 4.44Å; L288-I343 HydrophobicContact CG-CG1 4.4Å; I343-R371 VanDerWaalsContact CD1-CZ 3.49Å; I343-E458 HydrophobicContact CD1-CG 4.29Å
344	Q	91	Very high	88.5	Confident	60 Å²	60	45 Å²	45	28%	0.28	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	124.7	176.8	-166	82.4	-16.3	0	0	110.9	P282 N283 I346	P282-Q344 PolarHBondContact O-NE2 2.97Å; P282-Q344 VanDerWaalsContact O-NE2 3.12Å; N283-Q344 PolarHBondContact OD1-NE2 2.87Å; Q344-I346 WeakPolarHBondContact CG-O 3.48Å
345	G	88.7	Confident	88.7	Confident	1 Å²	1	53 Å²	53	1%	0.01	30%	0.3	C	S	.	.	S	Bend	trans	-75.9	-24.5	174.9	0	0	0	0	0	114.2	F284 E458	F284-G345 WeakPolarHBondContact O-CA 3.46Å; F284-G345 PolarHBondContact O-N 2.93Å; G345-E458 VanDerWaalsContact O-CB 3.22Å; G345-E458 WeakPolarHBondContact O-CB 3.37Å; G345-E458 PolarHBondContact O-N 3.47Å
346	I	90.9	Very high	88.7	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.005	33%	0.327	C	S	.	.			trans	-126.4	87.9	171.7	-57.8	-178.9	0	0	0	108.5	P282 F284 Q344 G348 C456 I457 T478 L479	P282-I346 HydrophobicContact CG-CB 4.09Å; P282-I346 HydrophobicContact CG-CD1 3.95Å; P282-I346 HydrophobicContact CG-CG2 3.86Å; F284-I346 HydrophobicContact CD2-CD1 4.43Å; Q344-I346 WeakPolarHBondContact CG-O 3.48Å; I346-G348 PolarHBondContact O-N 3.26Å; I346-C456 WeakPolarHBondContact CG2-O 3.22Å; I346-I457 HydrophobicContact CG1-CG1 4.46Å; I346-T478 VanDerWaalsContact CD1-C 3.49Å; I346-T478 WeakPolarHBondContact CD1-O 3.49Å; I346-T478 WeakPolarHBondContact CD1-OG1 3.44Å; I346-L479 HydrophobicContact CD1-CB 4.19Å; I346-L479 HydrophobicContact CG2-CD1 4.2Å
347	P	88.8	Confident	89	Confident	37 Å²	37	55.6 Å²	55.6	24%	0.24	31%	0.308	C	S	.	.			trans	-74.8	-10.5	173.2	33.2	-37.5	0	0	0	112.7	L353 C456	P347-L353 HydrophobicContact CG-CD2 3.85Å; P347-C456 WeakPolarHBondContact CD-O 3.3Å
348	G	88.2	Confident	89.3	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.298	C	S	.	.			trans	84.6	166.1	173.3	0	0	0	0	0	114.5	S277 I346 A350 S351 C456	S277-G348 WeakPolarHBondContact O-CA 3.3Å; I346-G348 PolarHBondContact O-N 3.26Å; G348-A350 PolarHBondContact O-N 2.94Å; G348-A350 VanDerWaalsContact O-N 3.08Å; G348-S351 VanDerWaalsContact O-CB 3.3Å; G348-S351 WeakPolarHBondContact O-CB 3.5Å; G348-S351 PolarHBondContact O-N 3.28Å; G348-S351 VanDerWaalsContact O-N 3.11Å; G348-S351 PolarHBondContact O-OG 3.07Å; G348-C456 PolarHBondContact N-O 3.2Å
349	A	86.9	Confident	89.5	Confident	42 Å²	42	60 Å²	60	35%	0.347	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-59.5	-24.8	-169.7	0	0	0	0	0	115.1	S277 A278 S351	S277-A349 PolarHBondContact OG-N 3.13Å; A278-A349 HydrophobicContact CB-CB 4.29Å; A349-S351 VanDerWaalsContact C-N 3.32Å
350	A	87.4	Confident	89.6	Confident	85 Å²	85	55.6 Å²	55.6	70%	0.702	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-80.1	-9.5	-178.9	0	0	0	0	0	114.1	G348 G352	G348-A350 PolarHBondContact O-N 2.94Å; G348-A350 VanDerWaalsContact O-N 3.08Å; A350-G352 VanDerWaalsContact C-N 3.34Å; A350-G352 PolarHBondContact O-N 3.15Å
351	S	83.5	Confident	89.6	Confident	57 Å²	57	55.1 Å²	55.1	40%	0.399	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-73.4	-14.9	-170.4	62.1	0	0	0	0	115.8	G348 A349 L353	G348-S351 VanDerWaalsContact O-CB 3.3Å; G348-S351 WeakPolarHBondContact O-CB 3.5Å; G348-S351 PolarHBondContact O-N 3.28Å; G348-S351 VanDerWaalsContact O-N 3.11Å; G348-S351 PolarHBondContact O-OG 3.07Å; A349-S351 VanDerWaalsContact C-N 3.32Å; S351-L353 VanDerWaalsContact C-N 3.28Å; S351-L353 PolarHBondContact O-N 3.38Å; S351-L353 WeakPolarHBondContact OG-CB 3.38Å
352	G	85.8	Confident	89.6	Confident	43 Å²	43	56.4 Å²	56.4	44%	0.443	30%	0.304	S	S	.	.			trans	80.8	2.3	-176.9	0	0	0	0	0	115.4	A350 I354 K355	A350-G352 VanDerWaalsContact C-N 3.34Å; A350-G352 PolarHBondContact O-N 3.15Å; G352-I354 PolarHBondContact O-N 3.4Å; G352-K355 PolarHBondContact O-N 3.09Å
353	L	88.1	Confident	89.6	Confident	9 Å²	9	53.3 Å²	53.3	5%	0.047	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-53.1	-23.9	-178.5	-172.9	72.4	0	0	0	115.2	P347 S351 K355 E356 N357 I457 E458	P347-L353 HydrophobicContact CG-CD2 3.85Å; S351-L353 VanDerWaalsContact C-N 3.28Å; S351-L353 PolarHBondContact O-N 3.38Å; S351-L353 WeakPolarHBondContact OG-CB 3.38Å; L353-K355 PolarHBondContact O-N 3.14Å; L353-E356 PolarHBondContact O-N 3.34Å; L353-N357 PolarHBondContact O-N 3.5Å; L353-I457 WeakPolarHBondContact CD2-O 3.28Å; L353-E458 WeakPolarHBondContact CD1-OE2 3.42Å
354	I	90.4	Very high	89.4	Confident	69 Å²	69	55.9 Å²	55.9	35%	0.354	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-50.4	-28	176.4	-160.5	177.2	0	0	0	113.7	I129 G352 L358 V451 A455	I129-I354 HydrophobicContact CD1-CG1 3.55Å; G352-I354 PolarHBondContact O-N 3.4Å; I354-L358 PolarHBondContact O-N 3.49Å; I354-V451 HydrophobicContact CD1-CG1 4.45Å; I354-A455 HydrophobicContact CB-CB 4.26Å; I354-A455 HydrophobicContact CD1-CB 4.36Å; I354-A455 HydrophobicContact CG1-CB 4.33Å
355	K	90	Very high	89.2	Confident	170 Å²	170	59.2 Å²	59.2	74%	0.739	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-72.3	-31.7	177.1	-67.3	-178.2	-179.7	176.7	0	113.3	G352 L353	G352-K355 PolarHBondContact O-N 3.09Å; L353-K355 PolarHBondContact O-N 3.14Å
356	E	88.3	Confident	88.9	Confident	119 Å²	119	60.4 Å²	60.4	56%	0.556	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-38.5	-178.6	-59.1	-173	175.8	0	0	110.8	L353 L358	L353-E356 PolarHBondContact O-N 3.34Å; E356-L358 VanDerWaalsContact C-N 3.3Å; E356-L358 PolarHBondContact O-N 2.76Å
357	N	93.1	Very high	88.7	Confident	17 Å²	17	63.2 Å²	63.2	9%	0.091	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	5.6	178.2	-70.6	-25.9	0	0	0	114.4	G128 I129 L353 W359 G454 I457 G459	G128-N357 WeakPolarHBondContact CA-O 3.48Å; I129-N357 HydrophobicContact CD1-CB 4.17Å; I129-N357 WeakPolarHBondContact CG1-O 3.36Å; I129-N357 PolarHBondContact N-O 2.78Å; L353-N357 PolarHBondContact O-N 3.5Å; N357-W359 PolarHBondContact O-N 3.37Å; N357-G454 WeakPolarHBondContact CB-O 3.36Å; N357-G454 PolarHBondContact ND2-O 3Å; N357-I457 PolarHBondContact ND2-O 3.38Å; N357-G459 WeakPolarHBondContact OD1-CA 3.18Å
358	L	92.9	Very high	88.6	Confident	53 Å²	53	62.2 Å²	62.2	28%	0.277	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-33.3	-174.8	-167.1	68.2	0	0	0	113.2	I129 M130 I354 E356	I129-L358 HydrophobicContact CB-CD1 4.49Å; I129-L358 PolarHBondContact N-O 2.99Å; M130-L358 HydrophobicContact CG-CD1 3.67Å; M130-L358 HydrophobicContact CG-CG 3.87Å; M130-L358 PolarHBondContact N-O 3.1Å; M130-L358 HydrophobicContact SD-CD1 4.15Å; I354-L358 PolarHBondContact O-N 3.49Å; E356-L358 VanDerWaalsContact C-N 3.3Å; E356-L358 PolarHBondContact O-N 2.76Å
359	W	92.7	Very high	88.7	Confident	169 Å²	169	62.3 Å²	62.3	64%	0.64	34%	0.343	S	S	*	.	S	Bend	trans	-108.8	154.2	-168.7	-59.6	108.5	0	0	0	113.1	N357	N357-W359 PolarHBondContact O-N 3.37Å
360	S	92.9	Very high	88.8	Confident	32 Å²	32	63.9 Å²	63.9	22%	0.224	34%	0.344	C	S	.	.			trans	-66.7	151.4	177.6	46.4	0	0	0	0	113.8	I126 A127 E131 Y362	I126-S360 WeakPolarHBondContact O-CA 3.19Å; A127-S360 WeakPolarHBondContact O-CA 3.07Å; A127-S360 WeakPolarHBondContact O-CB 3.39Å; E131-S360 VanDerWaalsContact OE1-CB 3.22Å; E131-S360 WeakPolarHBondContact OE1-CB 3.21Å; E131-S360 PolarHBondContact OE1-OG 3.38Å; S360-Y362 VanDerWaalsContact CB-CE2 3.48Å
361	S	89.3	Confident	88.8	Confident	16 Å²	16	62.3 Å²	62.3	11%	0.112	32%	0.32	C	S	.	.			trans	-143.4	65	179.8	-66.2	0	0	0	0	109	I126 L363 R372	I126-S361 CarbonylContact O-C 3.47Å; I126-S361 PolarHBondContact O-N 3.1Å; S361-L363 PolarHBondContact O-N 2.74Å; S361-R372 PolarHBondContact OG-NH1 2.67Å; S361-R372 PolarHBondContact OG-NH2 3.4Å
362	Y	92.1	Very high	88.7	Confident	78 Å²	78	67.7 Å²	67.7	31%	0.306	33%	0.331	S	S	.	.			trans	-63.7	130.2	175.3	-67.1	-65.7	0	0	0	111.2	I126 E131 S360 S398 F400 L403	I126-Y362 HydrophobicContact CG2-CD1 3.74Å; I126-Y362 HydrophobicContact CG2-CE1 4Å; E131-Y362 WeakPolarHBondContact OE2-CE2 3.5Å; E131-Y362 PolarHBondContact OE2-OH 2.9Å; S360-Y362 VanDerWaalsContact CB-CE2 3.48Å; Y362-S398 VanDerWaalsContact CD1-O 3.27Å; Y362-S398 WeakPolarHBondContact CD1-O 3.37Å; Y362-F400 WeakPolarHBondContact OH-CA 3.49Å; Y362-F400 WeakPolarHBondContact OH-CB 3.21Å; Y362-L403 HydrophobicContact CE1-CD1 3.9Å
363	L	88.6	Confident	88.2	Confident	29 Å²	29	69.8 Å²	69.8	15%	0.152	35%	0.353	C	S	.	.			trans	-120.7	148.7	-176.9	-66.7	170.5	0	0	0	110.4	I126 S361 V367 V369 T397 S398	I126-L363 HydrophobicContact CD1-CD1 4.19Å; S361-L363 PolarHBondContact O-N 2.74Å; L363-V367 HydrophobicContact CD2-CG1 4.2Å; L363-V369 HydrophobicContact CD1-CG2 4.38Å; L363-T397 WeakPolarHBondContact O-CA 3.4Å; L363-S398 PolarHBondContact O-N 3.38Å
364	T	88.9	Confident	87.9	Confident	86 Å²	86	71.2 Å²	71.2	53%	0.528	36%	0.36	S	S	.	.			trans	-90.5	150.4	167.6	48	0	0	0	0	110.8	G366 V367 T397	T364-G366 PolarHBondContact O-N 3.08Å; T364-V367 WeakPolarHBondContact O-CB 3.45Å; T364-V367 WeakPolarHBondContact O-CG2 3.47Å; T364-V367 PolarHBondContact O-N 3.23Å; T364-V367 VanDerWaalsContact O-N 3.17Å; T364-V367 WeakPolarHBondContact OG1-CG2 3.45Å; T364-T397 HydrophobicContact CG2-CG2 4.33Å
365	K	85.9	Confident	87.3	Confident	130 Å²	130	73.5 Å²	73.5	57%	0.565	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	135.2	178.6	-179	169.4	-177.5	113.1	0	111	V367 S394 D395 T397	K365-V367 VanDerWaalsContact C-N 3.34Å; K365-S394 CarbonylContact C-O 3.59Å; K365-S394 WeakPolarHBondContact CA-O 3.46Å; K365-D395 VanDerWaalsContact CD-O 3.25Å; K365-D395 WeakPolarHBondContact CD-O 3.5Å; K365-D395 WeakPolarHBondContact CE-O 3.3Å; K365-D395 VanDerWaalsContact CG-O 3.29Å; K365-D395 WeakPolarHBondContact CG-O 3.18Å; K365-D395 PolarHBondContact NZ-O 3.05Å; K365-D395 IonicContact NZ-OD1 2.99Å; K365-T397 HydrophobicContact CB-CG2 4.02Å
366	G	81.6	Confident	86.9	Confident	27 Å²	27	67.8 Å²	67.8	28%	0.278	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	3.1	-179.7	0	0	0	0	0	115.5	T364 F393 S394	T364-G366 PolarHBondContact O-N 3.08Å; G366-F393 WeakPolarHBondContact O-CD1 3.35Å; G366-S394 PolarHBondContact N-O 3.48Å
367	V	87	Confident	86.5	Confident	60 Å²	60	66.1 Å²	66.1	36%	0.364	36%	0.358	S	S	.	.			trans	-83.4	139	172.9	176.3	0	0	0	0	110.6	L363 T364 K365 S394	L363-V367 HydrophobicContact CD2-CG1 4.2Å; T364-V367 WeakPolarHBondContact O-CB 3.45Å; T364-V367 WeakPolarHBondContact O-CG2 3.47Å; T364-V367 PolarHBondContact O-N 3.23Å; T364-V367 VanDerWaalsContact O-N 3.17Å; T364-V367 WeakPolarHBondContact OG1-CG2 3.45Å; K365-V367 VanDerWaalsContact C-N 3.34Å; V367-S394 WeakPolarHBondContact O-CB 3.39Å; V367-S394 PolarHBondContact O-N 3.27Å
368	I	87.8	Confident	85.3	Confident	15 Å²	15	67.7 Å²	67.7	8%	0.077	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-65.9	139.5	178.3	-54.1	173.5	0	0	0	110.5	R292 E370 V385 Y391 V392 F393	R292-I368 HydrophobicContact CB-CG2 4.05Å; R292-I368 HydrophobicContact CG-CD1 4.41Å; R292-I368 HydrophobicContact CG-CG2 4.07Å; I368-E370 HydrophobicContact CG2-CG 4.49Å; I368-E370 PolarHBondContact O-N 3.42Å; I368-V385 HydrophobicContact CD1-CG1 4.05Å; I368-V385 HydrophobicContact CD1-CG2 4.45Å; I368-Y391 HydrophobicContact CD1-CD1 4.4Å; I368-Y391 HydrophobicContact CD1-CD2 4.16Å; I368-Y391 HydrophobicContact CD1-CE2 4.5Å; I368-Y391 HydrophobicContact CD1-CG 4.11Å; I368-Y391 HydrophobicContact CG2-CD1 4.29Å; I368-Y391 HydrophobicContact CG2-CG 4.42Å; I368-V392 WeakPolarHBondContact CA-O 3.44Å; I368-F393 HydrophobicContact CG1-CD1 4.02Å; I368-F393 HydrophobicContact CG1-CE1 3.73Å
369	V	89.3	Confident	84.1	Confident	2 Å²	2	66.9 Å²	66.9	1%	0.012	37%	0.374	C	S	.	.			trans	-77.1	107.9	173.7	-178.8	0	0	0	0	109.9	T293 L363 V392 V460 R463	T293-V369 VanDerWaalsContact CB-O 3.24Å; T293-V369 WeakPolarHBondContact CB-O 3.42Å; T293-V369 PolarHBondContact N-O 2.81Å; T293-V369 VanDerWaalsContact N-O 3.13Å; T293-V369 PolarHBondContact OG1-O 3.31Å; L363-V369 HydrophobicContact CD1-CG2 4.38Å; V369-V392 HydrophobicContact CB-CG1 4.42Å; V369-V392 HydrophobicContact CG2-CG1 4.08Å; V369-V392 PolarHBondContact N-O 3.48Å; V369-V460 HydrophobicContact CG1-CB 4.01Å; V369-V460 HydrophobicContact CG1-CG1 4.08Å; V369-R463 HydrophobicContact CG1-CB 3.9Å
370	E	89.1	Confident	82.4	Confident	75 Å²	75	62.5 Å²	62.5	35%	0.35	37%	0.374	S	S	.	.	B	Isolated β-bridge	trans	-104.5	150.4	-178.9	-61.2	-171.2	150	0	0	113.7	N291 R292 I368 R463	N291-E370 PolarHBondContact ND2-OE1 3.43Å; N291-E370 PolarHBondContact ND2-OE2 3.29Å; N291-E370 CarbonylContact O-C 3.59Å; N291-E370 VanDerWaalsContact O-CA 3.25Å; N291-E370 WeakPolarHBondContact O-CA 3.42Å; R292-E370 HydrophobicContact CG-CG 4.26Å; R292-E370 IonicContact NE-OE1 3.18Å; I368-E370 HydrophobicContact CG2-CG 4.49Å; I368-E370 PolarHBondContact O-N 3.42Å; E370-R463 PolarHBondContact O-NH1 3.48Å; E370-R463 PolarHBondContact O-NH2 3.08Å
371	R	87.9	Confident	80.3	Confident	53 Å²	53	69.4 Å²	69.4	20%	0.2	41%	0.409	C	S	.	.			trans	-93.2	123.4	171.5	-164.9	177.2	-167.9	-138	3.2	110.5	L288 N291 I343 M374 E458 V460	L288-R371 HydrophobicContact CD1-CB 4.39Å; N291-R371 PolarHBondContact O-N 3.12Å; I343-R371 VanDerWaalsContact CD1-CZ 3.49Å; R371-M374 HydrophobicContact CB-CG 4.25Å; R371-M374 HydrophobicContact CG-CG 4.23Å; R371-E458 IonicContact CZ-OE1 3.68Å; R371-E458 IonicContact CZ-OE2 3.79Å; R371-E458 VanDerWaalsContact NE-CD 3.34Å; R371-E458 IonicContact NE-OE1 2.79Å; R371-E458 PolarHBondContact NE-OE1 3.04Å; R371-E458 IonicContact NE-OE2 3.57Å; R371-E458 VanDerWaalsContact NH2-CD 3.27Å; R371-E458 IonicContact NH2-OE1 3.91Å; R371-E458 PolarHBondContact NH2-OE1 2.94Å; R371-E458 IonicContact NH2-OE2 3.32Å; R371-E458 PolarHBondContact NH2-OE2 2.87Å; R371-V460 HydrophobicContact CB-CG1 3.81Å; R371-V460 HydrophobicContact CG-CG1 4.33Å
372	R	81.3	Confident	78.5	Confident	169 Å²	169	72.2 Å²	72.2	64%	0.638	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	144.2	174.3	-65.6	179.9	179	159.6	2.2	109.7	S361	S361-R372 PolarHBondContact OG-NH1 2.67Å; S361-R372 PolarHBondContact OG-NH2 3.4Å
373	G	75.4	Confident	76.9	Confident	87 Å²	87	71.4 Å²	71.4	90%	0.897	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	87	-2.5	175.9	0	0	0	0	0	116.6
374	M	81.7	Confident	75.4	Confident	40 Å²	40	76 Å²	76	20%	0.197	48%	0.475	C	S	.	.			trans	-88.7	140.9	172.9	-69.5	-99.2	-75	0	0	111.2	L288 G290 N291 T341 R371 S376	L288-M374 HydrophobicContact CB-CE 3.99Å; L288-M374 HydrophobicContact CD1-CE 3.47Å; L288-M374 VanDerWaalsContact CD1-CE 3.47Å; L288-M374 HydrophobicContact CG-CE 4.37Å; G290-M374 WeakPolarHBondContact O-CE 3.5Å; N291-M374 HydrophobicContact CB-CB 4.43Å; T341-M374 WeakPolarHBondContact OG1-CE 3.36Å; R371-M374 HydrophobicContact CB-CG 4.25Å; R371-M374 HydrophobicContact CG-CG 4.23Å; M374-S376 PolarHBondContact O-N 2.91Å
375	P	77.5	Confident	74.2	Confident	116 Å²	116	74.6 Å²	74.6	75%	0.753	47%	0.466	S	S	*	.			trans	-71.8	126.2	176.1	29.4	-33.4	0	0	0	110.8
376	S	81.5	Confident	73.2	Confident	51 Å²	51	72.6 Å²	72.6	36%	0.357	46%	0.462	S	S	.	.			trans	-139.9	139.3	175.4	55.8	0	0	0	0	111	N291 N338 M374	N291-S376 WeakPolarHBondContact OD1-CB 3.31Å; N291-S376 PolarHBondContact OD1-OG 2.82Å; N338-S376 WeakPolarHBondContact OD1-CA 3.42Å; M374-S376 PolarHBondContact O-N 2.91Å
377	V	79.9	Confident	72.4	Confident	83 Å²	83	75.5 Å²	75.5	50%	0.503	47%	0.469	S	S	.	.			trans	-93.2	110.9	170	-176.6	0	0	0	0	107.8	R337 N338	R337-V377 HydrophobicContact CB-CB 4.39Å; N338-V377 PolarHBondContact ND2-O 3.28Å; N338-V377 PolarHBondContact OD1-N 2.97Å
378	G	68.4	Low	71.3	Confident	50 Å²	50	77.5 Å²	77.5	52%	0.515	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-68.5	161.3	178.9	0	0	0	0	0	113.5
379	L	67.2	Low	70.8	Confident	36 Å²	36	78.8 Å²	78.8	19%	0.188	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-83.6	167.4	161.8	-70.5	165.4	0	0	0	109.5	E333 T383	E333-L379 HydrophobicContact CB-CD2 3.76Å; E333-L379 VanDerWaalsContact CD-CD2 3.4Å; E333-L379 HydrophobicContact CG-CD2 3.54Å; L379-T383 HydrophobicContact CB-CG2 4.3Å; L379-T383 HydrophobicContact CD1-CG2 4.49Å; L379-T383 WeakPolarHBondContact CD1-OG1 3.36Å
380	A	57.5	Low	70.6	Confident	78 Å²	78	79.6 Å²	79.6	65%	0.645	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-66.2	140.8	169.1	0	0	0	0	0	110.2	G382	A380-G382 PolarHBondContact O-N 2.84Å; A380-G382 VanDerWaalsContact O-N 3.17Å
381	D	47.5	Very low	70.5	Confident	177 Å²	177	76.4 Å²	76.4	95%	0.947	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	121	-179.6	-75.3	-40.5	0	0	0	111.3
382	G	51.4	Low	70.5	Confident	75 Å²	75	74 Å²	74	77%	0.773	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	113.9	0	174.1	0	0	0	0	0	117	A380 P384	A380-G382 PolarHBondContact O-N 2.84Å; A380-G382 VanDerWaalsContact O-N 3.17Å; G382-P384 WeakPolarHBondContact O-CD 3.4Å
383	T	58.8	Low	70.8	Confident	60 Å²	60	68.4 Å²	68.4	37%	0.368	45%	0.445	S	S	.	.			trans	-65.1	122.1	167.6	53.2	0	0	0	0	110.1	L379 V385	L379-T383 HydrophobicContact CB-CG2 4.3Å; L379-T383 HydrophobicContact CD1-CG2 4.49Å; L379-T383 WeakPolarHBondContact CD1-OG1 3.36Å; T383-V385 PolarHBondContact O-N 3.42Å
384	P	58	Low	71.3	Confident	126 Å²	126	64.7 Å²	64.7	82%	0.818	41%	0.405	S	S	*	.			trans	-64.8	125.5	177.5	26.6	-33.1	0	0	0	109.8	G382 D386	G382-P384 WeakPolarHBondContact O-CD 3.4Å; P384-D386 PolarHBondContact O-N 2.79Å
385	V	63.5	Low	71.3	Confident	56 Å²	56	65.5 Å²	65.5	34%	0.339	41%	0.41	S	S	.	.			trans	-76	115.7	169.5	177.4	0	0	0	0	107.3	I368 T383 F393	I368-V385 HydrophobicContact CD1-CG1 4.05Å; I368-V385 HydrophobicContact CD1-CG2 4.45Å; T383-V385 PolarHBondContact O-N 3.42Å; V385-F393 HydrophobicContact CG1-CE1 4.32Å; V385-F393 HydrophobicContact CG1-CZ 4.49Å
386	D	64.7	Low	71.7	Confident	89 Å²	89	61.8 Å²	61.8	48%	0.476	38%	0.383	S	S	.	.			trans	-71.7	126.3	172.5	-169.9	-7.6	0	0	0	109.8	P384 D388 H389	P384-D386 PolarHBondContact O-N 2.79Å; D386-D388 VanDerWaalsContact C-N 3.27Å; D386-D388 PolarHBondContact O-N 3.43Å; D386-D388 PolarHBondContact OD1-N 3.02Å; D386-H389 PolarHBondContact O-N 2.92Å; D386-H389 PolarHBondContact O-ND1 3.46Å
387	M	65	Low	72	Confident	87 Å²	87	62.5 Å²	62.5	43%	0.429	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-13.8	-172.4	-68.5	-74.7	170.2	0	0	112.7	H389 F393	M387-H389 PolarHBondContact O-N 2.86Å; M387-F393 HydrophobicContact CE-CE1 4.2Å; M387-F393 HydrophobicContact SD-CD1 3.9Å; M387-F393 HydrophobicContact SD-CD2 4.46Å; M387-F393 HydrophobicContact SD-CE1 3.49Å; M387-F393 WeakPolarHBondContact SD-CE1 3.43Å; M387-F393 HydrophobicContact SD-CE2 4.11Å; M387-F393 HydrophobicContact SD-CG 4.35Å; M387-F393 HydrophobicContact SD-CZ 3.61Å
388	D	64.7	Low	72.5	Confident	103 Å²	103	59 Å²	59	55%	0.551	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-6.4	176.3	-66.1	-18.5	0	0	0	112.6	A219 D386	A219-D388 VanDerWaalsContact CB-OD1 3.3Å; A219-D388 WeakPolarHBondContact CB-OD1 3.42Å; D386-D388 VanDerWaalsContact C-N 3.27Å; D386-D388 PolarHBondContact O-N 3.43Å; D386-D388 PolarHBondContact OD1-N 3.02Å
389	H	77.4	Confident	73.5	Confident	41 Å²	41	62.2 Å²	62.2	19%	0.19	36%	0.362	C	S	.	.	S	Bend	trans	-75.7	147.5	172.6	-70.3	106.5	0	0	0	112.4	F321 D386 M387 Y391	F321-H389 AromaticContact CD1-CD2 3.36Å; F321-H389 WeakPolarHBondContact CD1-CD2 3.39Å; F321-H389 AromaticContact CD1-NE2 3.9Å; F321-H389 HydrophobicContact CE1-CB 3.97Å; F321-H389 AromaticContact CE1-CD2 3.41Å; F321-H389 VanDerWaalsContact CE1-CD2 3.41Å; F321-H389 WeakPolarHBondContact CE1-CD2 3.44Å; F321-H389 AromaticContact CE1-CG 3.87Å; F321-H389 HydrophobicContact CZ-CB 4.42Å; D386-H389 PolarHBondContact O-N 2.92Å; D386-H389 PolarHBondContact O-ND1 3.46Å; M387-H389 PolarHBondContact O-N 2.86Å; H389-Y391 HydrophobicContact CB-CD2 3.58Å; H389-Y391 HydrophobicContact CB-CE2 3.65Å; H389-Y391 PolarHBondContact O-N 3.15Å
390	P	83.3	Confident	74.6	Confident	20 Å²	20	63.6 Å²	63.6	13%	0.13	37%	0.367	C	S	.	.	S	Bend	trans	-77.1	52.9	-176.1	35.6	-40.9	0	0	0	113.5	L294 S295 L320 F321	L294-P390 CarbonylContact C-O 3.58Å; L294-P390 VanDerWaalsContact CA-O 3.28Å; L294-P390 WeakPolarHBondContact CA-O 3.4Å; L294-P390 WeakPolarHBondContact CD2-O 3.48Å; S295-P390 PolarHBondContact N-O 3.21Å; L320-P390 HydrophobicContact CB-CG 4.1Å; L320-P390 HydrophobicContact CD1-CB 4.39Å; L320-P390 HydrophobicContact CD1-CG 3.97Å; F321-P390 HydrophobicContact CE2-CG 3.6Å; F321-P390 HydrophobicContact CZ-CG 3.74Å
391	Y	88	Confident	76.2	Confident	7 Å²	7	62 Å²	62	3%	0.027	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-92.5	149.8	171.5	-66.6	-66.2	0	0	0	111	L289 R292 L294 F321 I368 H389 F393	L289-Y391 HydrophobicContact CD2-CE1 4.22Å; R292-Y391 HydrophobicContact CB-CD1 3.98Å; R292-Y391 HydrophobicContact CB-CE1 3.8Å; R292-Y391 HydrophobicContact CG-CE1 4.34Å; R292-Y391 PolarHBondContact NH1-OH 3.18Å; L294-Y391 HydrophobicContact CD2-CD1 3.81Å; L294-Y391 HydrophobicContact CD2-CE1 3.88Å; F321-Y391 HydrophobicContact CE1-CE1 4.43Å; F321-Y391 AromaticContact CE1-CE2 3.87Å; F321-Y391 HydrophobicContact CE1-CE2 3.87Å; F321-Y391 AromaticContact CE1-CZ 3.7Å; F321-Y391 HydrophobicContact CZ-CE1 4.28Å; F321-Y391 HydrophobicContact CZ-CE2 4.29Å; F321-Y391 AromaticContact CZ-CZ 3.99Å; I368-Y391 HydrophobicContact CD1-CD1 4.4Å; I368-Y391 HydrophobicContact CD1-CD2 4.16Å; I368-Y391 HydrophobicContact CD1-CE2 4.5Å; I368-Y391 HydrophobicContact CD1-CG 4.11Å; I368-Y391 HydrophobicContact CG2-CD1 4.29Å; I368-Y391 HydrophobicContact CG2-CG 4.42Å; H389-Y391 HydrophobicContact CB-CD2 3.58Å; H389-Y391 HydrophobicContact CB-CE2 3.65Å; H389-Y391 PolarHBondContact O-N 3.15Å; Y391-F393 HydrophobicContact CD2-CZ 4.36Å; Y391-F393 WeakPolarHBondContact O-CD2 3.19Å; Y391-F393 WeakPolarHBondContact O-CE2 3.37Å
392	V	87.8	Confident	78.1	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.012	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-83.2	118.1	170.5	-177.6	0	0	0	0	109.3	T293 I368 V369 D464 E468 A469	T293-V392 HydrophobicContact CG2-CB 4.4Å; T293-V392 HydrophobicContact CG2-CG2 4Å; T293-V392 PolarHBondContact O-N 2.9Å; I368-V392 WeakPolarHBondContact CA-O 3.44Å; V369-V392 HydrophobicContact CB-CG1 4.42Å; V369-V392 HydrophobicContact CG2-CG1 4.08Å; V369-V392 PolarHBondContact N-O 3.48Å; V392-D464 HydrophobicContact CG1-CB 4.23Å; V392-E468 HydrophobicContact CG2-CB 4.28Å; V392-A469 HydrophobicContact CG2-CB 4.34Å
393	F	86.9	Confident	80	Confident	52 Å²	52	51.2 Å²	51.2	23%	0.228	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-103.6	154.2	-177.7	-63.2	-79.3	0	0	0	112.8	G366 I368 V385 M387 Y391 D395	G366-F393 WeakPolarHBondContact O-CD1 3.35Å; I368-F393 HydrophobicContact CG1-CD1 4.02Å; I368-F393 HydrophobicContact CG1-CE1 3.73Å; V385-F393 HydrophobicContact CG1-CE1 4.32Å; V385-F393 HydrophobicContact CG1-CZ 4.49Å; M387-F393 HydrophobicContact CE-CE1 4.2Å; M387-F393 HydrophobicContact SD-CD1 3.9Å; M387-F393 HydrophobicContact SD-CD2 4.46Å; M387-F393 HydrophobicContact SD-CE1 3.49Å; M387-F393 WeakPolarHBondContact SD-CE1 3.43Å; M387-F393 HydrophobicContact SD-CE2 4.11Å; M387-F393 HydrophobicContact SD-CG 4.35Å; M387-F393 HydrophobicContact SD-CZ 3.61Å; Y391-F393 HydrophobicContact CD2-CZ 4.36Å; Y391-F393 WeakPolarHBondContact O-CD2 3.19Å; Y391-F393 WeakPolarHBondContact O-CE2 3.37Å; F393-D395 PolarHBondContact O-N 3.5Å
394	S	86.8	Confident	81.6	Confident	9 Å²	9	48.6 Å²	48.6	6%	0.063	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-76.4	116.4	172.4	-169	0	0	0	0	111.3	K365 G366 V367 M396	K365-S394 CarbonylContact C-O 3.59Å; K365-S394 WeakPolarHBondContact CA-O 3.46Å; G366-S394 PolarHBondContact N-O 3.48Å; V367-S394 WeakPolarHBondContact O-CB 3.39Å; V367-S394 PolarHBondContact O-N 3.27Å; S394-M396 PolarHBondContact O-N 3.42Å; S394-M396 PolarHBondContact OG-O 3.26Å
395	D	81.4	Confident	83.1	Confident	57 Å²	57	42.7 Å²	42.7	31%	0.305	22%	0.219	S	C	.	.	S	Bend	trans	-63.2	-34.6	-177.8	179.4	30.3	0	0	0	113.8	K365 F393 K465	K365-D395 VanDerWaalsContact CD-O 3.25Å; K365-D395 WeakPolarHBondContact CD-O 3.5Å; K365-D395 WeakPolarHBondContact CE-O 3.3Å; K365-D395 VanDerWaalsContact CG-O 3.29Å; K365-D395 WeakPolarHBondContact CG-O 3.18Å; K365-D395 PolarHBondContact NZ-O 3.05Å; K365-D395 IonicContact NZ-OD1 2.99Å; F393-D395 PolarHBondContact O-N 3.5Å; D395-K465 IonicContact OD2-NZ 3.23Å; D395-K465 PolarHBondContact OD2-NZ 3.45Å
396	M	85.1	Confident	84.4	Confident	38 Å²	38	40 Å²	40	19%	0.187	20%	0.203	C	C	.	.	S	Bend	trans	-147.7	146.7	-175	-176.1	168.3	55.4	0	0	113	W122 S394 S398 L402 I406 D555	W122-M396 HydrophobicContact CH2-CE 4.44Å; S394-M396 PolarHBondContact O-N 3.42Å; S394-M396 PolarHBondContact OG-O 3.26Å; M396-S398 PolarHBondContact O-N 3.45Å; M396-S398 PolarHBondContact O-OG 3.43Å; M396-L402 HydrophobicContact CE-CD2 3.77Å; M396-L402 HydrophobicContact CG-CD2 4.47Å; M396-L402 HydrophobicContact SD-CD2 4.08Å; M396-I406 HydrophobicContact CE-CD1 4.08Å; M396-D555 HydrophobicContact CE-CB 3.97Å
397	T	88.7	Confident	85.8	Confident	66 Å²	66	35.8 Å²	35.8	41%	0.405	18%	0.18	S	C	.	.			trans	-60.6	115.4	170.7	51.1	0	0	0	0	110.6	L363 T364 K365 L402	L363-T397 WeakPolarHBondContact O-CA 3.4Å; T364-T397 HydrophobicContact CG2-CG2 4.33Å; K365-T397 HydrophobicContact CB-CG2 4.02Å; T397-L402 WeakPolarHBondContact O-CD2 3.33Å
398	S	89.8	Confident	87.1	Confident	9 Å²	9	31.6 Å²	31.6	6%	0.063	16%	0.16	C	C	.	.			trans	-106.9	138.2	-173.7	-59.7	0	0	0	0	112.4	W122 Y362 L363 M396	W122-S398 WeakPolarHBondContact CZ2-OG 3.44Å; Y362-S398 VanDerWaalsContact CD1-O 3.27Å; Y362-S398 WeakPolarHBondContact CD1-O 3.37Å; L363-S398 PolarHBondContact O-N 3.38Å; M396-S398 PolarHBondContact O-N 3.45Å; M396-S398 PolarHBondContact O-OG 3.43Å
399	Y	90.9	Very high	88.4	Confident	118 Å²	118	27 Å²	27	46%	0.463	14%	0.136	S	C	.	.			trans	-151.1	156	174.7	50.1	-86.9	0	0	0	109.8	T401 L402 L403	Y399-T401 VanDerWaalsContact C-N 3.29Å; Y399-T401 VanDerWaalsContact CD2-OG1 3.3Å; Y399-T401 WeakPolarHBondContact CD2-OG1 3.47Å; Y399-T401 VanDerWaalsContact CE2-OG1 3.22Å; Y399-T401 WeakPolarHBondContact CE2-OG1 3.31Å; Y399-T401 PolarHBondContact O-N 3.06Å; Y399-T401 VanDerWaalsContact O-N 3.12Å; Y399-L402 HydrophobicContact CD1-CB 4.33Å; Y399-L402 HydrophobicContact CD1-CD2 4.49Å; Y399-L402 HydrophobicContact CD2-CB 3.91Å; Y399-L402 HydrophobicContact CE1-CB 4.08Å; Y399-L402 HydrophobicContact CE1-CD2 4.05Å; Y399-L402 HydrophobicContact CE2-CB 3.64Å; Y399-L402 HydrophobicContact CG-CB 4.24Å; Y399-L402 WeakPolarHBondContact O-CB 3.36Å; Y399-L402 PolarHBondContact O-N 3.46Å; Y399-L402 VanDerWaalsContact O-N 3.1Å; Y399-L403 PolarHBondContact O-N 3.33Å
400	F	90.4	Very high	89.1	Confident	66 Å²	66	25.1 Å²	25.1	29%	0.289	13%	0.127	S	C	.	.	H	α-helix	trans	-48.3	-46	-171.4	-177.8	-101	0	0	0	113.9	E131 M135 Y362 L402 L403 V404	E131-F400 HydrophobicContact CB-CD2 4.33Å; E131-F400 HydrophobicContact CB-CE2 4.22Å; M135-F400 HydrophobicContact CB-CE2 4.31Å; M135-F400 HydrophobicContact CB-CZ 4.46Å; M135-F400 HydrophobicContact CE-CD2 4.02Å; M135-F400 HydrophobicContact CE-CE2 3.87Å; Y362-F400 WeakPolarHBondContact OH-CA 3.49Å; Y362-F400 WeakPolarHBondContact OH-CB 3.21Å; F400-L402 PolarHBondContact O-N 3.09Å; F400-L403 PolarHBondContact O-N 2.6Å; F400-V404 HydrophobicContact CD1-CG2 4.13Å; F400-V404 HydrophobicContact CE1-CG2 3.75Å; F400-V404 HydrophobicContact CZ-CG2 4.04Å; F400-V404 WeakPolarHBondContact O-CG2 3.41Å; F400-V404 PolarHBondContact O-N 3.15Å; F400-V404 VanDerWaalsContact O-N 3.09Å
401	T	89.5	Confident	89.5	Confident	44 Å²	44	24.4 Å²	24.4	27%	0.27	12%	0.122	S	C	.	.	H	α-helix	trans	-73.3	-26.5	-173.5	76	0	0	0	0	113.7	Y399 G405 I612	Y399-T401 VanDerWaalsContact C-N 3.29Å; Y399-T401 VanDerWaalsContact CD2-OG1 3.3Å; Y399-T401 WeakPolarHBondContact CD2-OG1 3.47Å; Y399-T401 VanDerWaalsContact CE2-OG1 3.22Å; Y399-T401 WeakPolarHBondContact CE2-OG1 3.31Å; Y399-T401 PolarHBondContact O-N 3.06Å; Y399-T401 VanDerWaalsContact O-N 3.12Å; T401-G405 PolarHBondContact O-N 3.16Å; T401-I612 VanDerWaalsContact CB-O 3.28Å; T401-I612 WeakPolarHBondContact CB-O 3.33Å; T401-I612 HydrophobicContact CG2-CG2 3.59Å; T401-I612 PolarHBondContact OG1-O 2.92Å
402	L	88.4	Confident	89.7	Confident	26 Å²	26	24.3 Å²	24.3	14%	0.136	12%	0.123	C	C	.	.	H	α-helix	trans	-67.6	-44.2	170.6	-175.6	64	0	0	0	110.8	M396 T397 Y399 F400 V404 G405 I406	M396-L402 HydrophobicContact CE-CD2 3.77Å; M396-L402 HydrophobicContact CG-CD2 4.47Å; M396-L402 HydrophobicContact SD-CD2 4.08Å; T397-L402 WeakPolarHBondContact O-CD2 3.33Å; Y399-L402 HydrophobicContact CD1-CB 4.33Å; Y399-L402 HydrophobicContact CD1-CD2 4.49Å; Y399-L402 HydrophobicContact CD2-CB 3.91Å; Y399-L402 HydrophobicContact CE1-CB 4.08Å; Y399-L402 HydrophobicContact CE1-CD2 4.05Å; Y399-L402 HydrophobicContact CE2-CB 3.64Å; Y399-L402 HydrophobicContact CG-CB 4.24Å; Y399-L402 WeakPolarHBondContact O-CB 3.36Å; Y399-L402 PolarHBondContact O-N 3.46Å; Y399-L402 VanDerWaalsContact O-N 3.1Å; F400-L402 PolarHBondContact O-N 3.09Å; L402-V404 VanDerWaalsContact C-N 3.33Å; L402-V404 PolarHBondContact O-N 3.41Å; L402-G405 PolarHBondContact O-N 3.04Å; L402-G405 VanDerWaalsContact O-N 3.09Å; L402-I406 HydrophobicContact CD1-CD1 4.45Å; L402-I406 HydrophobicContact CG-CD1 3.99Å; L402-I406 WeakPolarHBondContact O-CG1 3.35Å; L402-I406 PolarHBondContact O-N 3.39Å
403	L	91.6	Very high	89.8	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64	-37.4	179.1	-61.3	178.5	0	0	0	111.9	W122 V123 I126 A127 M135 Y362 Y399 F400 G405 I406 Y407	W122-L403 HydrophobicContact CE3-CD2 4.15Å; W122-L403 HydrophobicContact CH2-CD2 3.73Å; W122-L403 HydrophobicContact CZ3-CD2 3.4Å; V123-L403 HydrophobicContact CG2-CD2 4.41Å; I126-L403 HydrophobicContact CB-CD1 4.36Å; I126-L403 HydrophobicContact CG2-CD1 3.98Å; A127-L403 HydrophobicContact CB-CD1 3.82Å; M135-L403 HydrophobicContact CE-CB 3.54Å; M135-L403 HydrophobicContact CE-CD1 4.36Å; M135-L403 HydrophobicContact SD-CB 4.04Å; Y362-L403 HydrophobicContact CE1-CD1 3.9Å; Y399-L403 PolarHBondContact O-N 3.33Å; F400-L403 PolarHBondContact O-N 2.6Å; L403-G405 VanDerWaalsContact C-N 3.31Å; L403-G405 PolarHBondContact O-N 3.36Å; L403-I406 PolarHBondContact O-N 3.49Å; L403-Y407 VanDerWaalsContact O-CB 3.26Å; L403-Y407 WeakPolarHBondContact O-CB 3.08Å; L403-Y407 PolarHBondContact O-N 2.73Å
404	V	91.5	Very high	90.1	Very high	5 Å²	5	22.5 Å²	22.5	3%	0.03	12%	0.118	C	C	.	.	H	α-helix	trans	-56	-45.9	170.7	174.9	0	0	0	0	110.9	M135 F400 L402 Y407 F408 L609	M135-V404 HydrophobicContact CE-CG2 4.35Å; M135-V404 HydrophobicContact CG-CG2 3.95Å; M135-V404 HydrophobicContact SD-CG2 4.37Å; F400-V404 HydrophobicContact CD1-CG2 4.13Å; F400-V404 HydrophobicContact CE1-CG2 3.75Å; F400-V404 HydrophobicContact CZ-CG2 4.04Å; F400-V404 WeakPolarHBondContact O-CG2 3.41Å; F400-V404 PolarHBondContact O-N 3.15Å; F400-V404 VanDerWaalsContact O-N 3.09Å; L402-V404 VanDerWaalsContact C-N 3.33Å; L402-V404 PolarHBondContact O-N 3.41Å; V404-Y407 PolarHBondContact O-N 3.16Å; V404-F408 WeakPolarHBondContact O-CB 3.38Å; V404-F408 PolarHBondContact O-N 3.39Å; V404-L609 HydrophobicContact CG1-CD2 3.73Å
405	G	89.3	Confident	90.2	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.01	12%	0.116	C	C	.	.	H	α-helix	trans	-69.1	-29.3	179.2	0	0	0	0	0	114.8	T401 L402 L403 A558 S562	T401-G405 PolarHBondContact O-N 3.16Å; L402-G405 PolarHBondContact O-N 3.04Å; L402-G405 VanDerWaalsContact O-N 3.09Å; L403-G405 VanDerWaalsContact C-N 3.31Å; L403-G405 PolarHBondContact O-N 3.36Å; G405-A558 CarbonylContact O-C 3.28Å; G405-S562 PolarHBondContact O-OG 2.68Å; G405-S562 VanDerWaalsContact O-OG 3.12Å
406	I	91.3	Very high	90.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-79.3	-34.6	174.4	-66.1	168.1	0	0	0	111.1	I115 R119 W122 M396 L402 L403 P409 D555	I115-I406 HydrophobicContact CD1-CG2 4.43Å; R119-I406 HydrophobicContact CG-CG2 4.45Å; W122-I406 HydrophobicContact CH2-CD1 4.49Å; W122-I406 HydrophobicContact CZ3-CD1 4.08Å; M396-I406 HydrophobicContact CE-CD1 4.08Å; L402-I406 HydrophobicContact CD1-CD1 4.45Å; L402-I406 HydrophobicContact CG-CD1 3.99Å; L402-I406 WeakPolarHBondContact O-CG1 3.35Å; L402-I406 PolarHBondContact O-N 3.39Å; L403-I406 PolarHBondContact O-N 3.49Å; I406-P409 WeakPolarHBondContact O-CD 3.42Å; I406-D555 HydrophobicContact CD1-CB 4.11Å; I406-D555 HydrophobicContact CG1-CB 4.5Å
407	Y	93	Very high	90.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-79.2	-40.3	-179	-179.9	-94.7	0	0	0	113.2	I115 L120 M135 V136 C139 L403 V404 P409 S410 V411 Y446	I115-Y407 HydrophobicContact CG2-CD2 4.31Å; L120-Y407 HydrophobicContact CD1-CD2 4.31Å; L120-Y407 HydrophobicContact CD1-CE2 3.96Å; M135-Y407 HydrophobicContact CG-CD1 4.44Å; M135-Y407 HydrophobicContact SD-CG 4.32Å; V136-Y407 HydrophobicContact CB-CE1 4.38Å; V136-Y407 HydrophobicContact CG2-CE1 4.01Å; V136-Y407 HydrophobicContact CG2-CE2 3.93Å; C139-Y407 HydrophobicContact CB-CD1 4.17Å; C139-Y407 HydrophobicContact CB-CE1 3.98Å; L403-Y407 VanDerWaalsContact O-CB 3.26Å; L403-Y407 WeakPolarHBondContact O-CB 3.08Å; L403-Y407 PolarHBondContact O-N 2.73Å; V404-Y407 PolarHBondContact O-N 3.16Å; Y407-P409 VanDerWaalsContact C-N 3.32Å; Y407-P409 WeakPolarHBondContact O-CD 3.36Å; Y407-P409 VanDerWaalsContact O-N 3.09Å; Y407-S410 WeakPolarHBondContact CE1-OG 3.34Å; Y407-S410 VanDerWaalsContact CE2-OG 3.28Å; Y407-S410 WeakPolarHBondContact CE2-OG 3.23Å; Y407-S410 VanDerWaalsContact O-CB 3.24Å; Y407-S410 WeakPolarHBondContact O-CB 3.27Å; Y407-S410 PolarHBondContact O-N 3.33Å; Y407-S410 PolarHBondContact O-OG 2.94Å; Y407-S410 PolarHBondContact OH-OG 3.42Å; Y407-V411 HydrophobicContact CE1-CG1 4.03Å; Y407-Y446 WeakPolarHBondContact OH-CB 3.45Å; Y407-Y446 VanDerWaalsContact OH-CG 3.29Å
408	F	92.9	Very high	90	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-49.4	-35.9	-173.5	-174.6	-93.2	0	0	0	116.3	C139 V404 S410 V411 T412 F565 L566 Y569 L609	C139-F408 HydrophobicContact CB-CD2 4.36Å; V404-F408 WeakPolarHBondContact O-CB 3.38Å; V404-F408 PolarHBondContact O-N 3.39Å; F408-S410 PolarHBondContact O-N 3.09Å; F408-S410 VanDerWaalsContact O-N 3.08Å; F408-V411 HydrophobicContact CD2-CG2 4.04Å; F408-V411 HydrophobicContact CE2-CG2 4.09Å; F408-V411 WeakPolarHBondContact O-CG2 3.44Å; F408-V411 PolarHBondContact O-N 3.02Å; F408-V411 VanDerWaalsContact O-N 3.12Å; F408-T412 HydrophobicContact CD1-CG2 4.01Å; F408-T412 HydrophobicContact CE1-CG2 3.73Å; F408-F565 HydrophobicContact CE1-CB 4Å; F408-L566 HydrophobicContact CD1-CG 4.2Å; F408-L566 HydrophobicContact CD2-CD2 4.21Å; F408-L566 HydrophobicContact CE1-CD2 4Å; F408-L566 HydrophobicContact CE1-CG 3.69Å; F408-L566 HydrophobicContact CE2-CD2 3.49Å; F408-L566 VanDerWaalsContact CE2-CD2 3.49Å; F408-L566 HydrophobicContact CE2-CG 4.07Å; F408-L566 HydrophobicContact CZ-CD2 3.37Å; F408-L566 HydrophobicContact CZ-CG 3.62Å; F408-Y569 HydrophobicContact CE1-CE2 4.5Å; F408-Y569 HydrophobicContact CZ-CD2 4.11Å; F408-Y569 HydrophobicContact CZ-CE2 4.07Å; F408-L609 HydrophobicContact CD2-CD1 4.47Å; F408-L609 HydrophobicContact CE2-CD1 4.32Å
409	P	92	Very high	89.8	Confident	6 Å²	6	15.5 Å²	15.5	4%	0.039	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-52.7	-32	174.7	-27.7	37.3	0	0	0	113.9	M194 I406 Y407 V411 T412 A558 L561 S562	M194-P409 HydrophobicContact CE-CB 3.89Å; M194-P409 HydrophobicContact CE-CG 4.11Å; M194-P409 HydrophobicContact SD-CB 3.99Å; M194-P409 HydrophobicContact SD-CG 4.21Å; I406-P409 WeakPolarHBondContact O-CD 3.42Å; Y407-P409 VanDerWaalsContact C-N 3.32Å; Y407-P409 WeakPolarHBondContact O-CD 3.36Å; Y407-P409 VanDerWaalsContact O-N 3.09Å; P409-V411 PolarHBondContact O-N 2.98Å; P409-T412 WeakPolarHBondContact O-CB 3.22Å; P409-T412 PolarHBondContact O-N 2.64Å; P409-T412 VanDerWaalsContact O-N 3.13Å; P409-T412 PolarHBondContact O-OG1 2.87Å; P409-A558 HydrophobicContact CG-CB 3.99Å; P409-L561 HydrophobicContact CB-CD2 3.64Å; P409-L561 HydrophobicContact CG-CD2 3.61Å; P409-S562 WeakPolarHBondContact CD-OG 3.49Å
410	S	91.7	Very high	89.2	Confident	1 Å²	1	10 Å²	10	1%	0.007	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-64.4	-18.9	-179.2	70.4	0	0	0	0	115.4	I111 Y407 F408 Y446	I111-S410 WeakPolarHBondContact CG2-O 3.39Å; Y407-S410 WeakPolarHBondContact CE1-OG 3.34Å; Y407-S410 VanDerWaalsContact CE2-OG 3.28Å; Y407-S410 WeakPolarHBondContact CE2-OG 3.23Å; Y407-S410 VanDerWaalsContact O-CB 3.24Å; Y407-S410 WeakPolarHBondContact O-CB 3.27Å; Y407-S410 PolarHBondContact O-N 3.33Å; Y407-S410 PolarHBondContact O-OG 2.94Å; Y407-S410 PolarHBondContact OH-OG 3.42Å; F408-S410 PolarHBondContact O-N 3.09Å; F408-S410 VanDerWaalsContact O-N 3.08Å; S410-Y446 VanDerWaalsContact O-CE2 3.27Å; S410-Y446 WeakPolarHBondContact O-CE2 3.31Å; S410-Y446 PolarHBondContact O-OH 2.91Å
411	V	93.4	Very high	88.8	Confident	5 Å²	5	7.2 Å²	7.2	3%	0.03	5%	0.045	C	C	.	.	G	3₁₀ helix	trans	-105	-0.3	176.8	-60.4	0	0	0	0	112.9	C139 T143 Y407 F408 P409	C139-V411 HydrophobicContact CB-CG1 4.25Å; C139-V411 HydrophobicContact CB-CG2 3.89Å; T143-V411 HydrophobicContact CG2-CB 4.02Å; T143-V411 HydrophobicContact CG2-CG2 3.69Å; T143-V411 WeakPolarHBondContact CG2-O 3.35Å; Y407-V411 HydrophobicContact CE1-CG1 4.03Å; F408-V411 HydrophobicContact CD2-CG2 4.04Å; F408-V411 HydrophobicContact CE2-CG2 4.09Å; F408-V411 WeakPolarHBondContact O-CG2 3.44Å; F408-V411 PolarHBondContact O-N 3.02Å; F408-V411 VanDerWaalsContact O-N 3.12Å; P409-V411 PolarHBondContact O-N 2.98Å
412	T	92.3	Very high	88.2	Confident	6 Å²	6	6.9 Å²	6.9	4%	0.037	5%	0.051	C	C	.	.			trans	-74.2	-177.5	177	70.2	0	0	0	0	111.6	I111 F408 P409 F565	I111-T412 VanDerWaalsContact CG1-O 3.29Å; I111-T412 WeakPolarHBondContact CG1-O 3.37Å; F408-T412 HydrophobicContact CD1-CG2 4.01Å; F408-T412 HydrophobicContact CE1-CG2 3.73Å; P409-T412 WeakPolarHBondContact O-CB 3.22Å; P409-T412 PolarHBondContact O-N 2.64Å; P409-T412 VanDerWaalsContact O-N 3.13Å; P409-T412 PolarHBondContact O-OG1 2.87Å; T412-F565 HydrophobicContact CG2-CB 3.93Å; T412-F565 HydrophobicContact CG2-CD1 4.44Å; T412-F565 HydrophobicContact CG2-CD2 3.89Å; T412-F565 HydrophobicContact CG2-CG 3.84Å
413	G	88.8	Confident	87.8	Confident	14 Å²	14	8.7 Å²	8.7	14%	0.144	6%	0.06	C	C	.	.			trans	88.6	-1.7	179	0	0	0	0	0	115.7	M415 A416	G413-M415 PolarHBondContact O-N 3.29Å; G413-A416 WeakPolarHBondContact O-CB 3.36Å; G413-A416 PolarHBondContact O-N 3.36Å
414	I	93.2	Very high	87.4	Confident	1 Å²	1	9.1 Å²	9.1	1%	0.005	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-56.3	-24.2	-178.9	68	174.7	0	0	0	114.8	I111 T146 A416 G417 I439 Y569	I111-I414 HydrophobicContact CD1-CG2 4.47Å; T146-I414 HydrophobicContact CG2-CD1 3.94Å; I414-A416 PolarHBondContact O-N 3.4Å; I414-G417 PolarHBondContact O-N 2.94Å; I414-I439 HydrophobicContact CB-CD1 4.14Å; I414-I439 HydrophobicContact CG2-CD1 3.6Å; I414-I439 HydrophobicContact CG2-CG1 3.83Å; I414-Y569 HydrophobicContact CD1-CE1 4.2Å; I414-Y569 HydrophobicContact CG1-CE1 4.16Å
415	M	88.8	Confident	86.9	Confident	3 Å²	3	18.7 Å²	18.7	2%	0.015	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-73.2	-11.5	176.6	-68.6	-176.6	169.4	0	0	113.4	I168 F184 G413 G417 S418 N419 C568 Y569 V572	I168-M415 HydrophobicContact CD1-CE 4.1Å; F184-M415 HydrophobicContact CD1-SD 4.2Å; F184-M415 HydrophobicContact CD2-SD 3.84Å; F184-M415 HydrophobicContact CE1-CB 4.4Å; F184-M415 HydrophobicContact CE1-SD 4.18Å; F184-M415 HydrophobicContact CE2-CB 4.08Å; F184-M415 HydrophobicContact CE2-CG 4.44Å; F184-M415 HydrophobicContact CE2-SD 3.8Å; F184-M415 HydrophobicContact CG-SD 4.06Å; F184-M415 HydrophobicContact CZ-CB 3.76Å; F184-M415 HydrophobicContact CZ-CG 4.47Å; F184-M415 HydrophobicContact CZ-SD 4Å; G413-M415 PolarHBondContact O-N 3.29Å; M415-G417 PolarHBondContact O-N 2.97Å; M415-S418 PolarHBondContact O-N 3.12Å; M415-S418 PolarHBondContact O-OG 3.21Å; M415-N419 PolarHBondContact O-N 3.24Å; M415-N419 PolarHBondContact O-OD1 3.22Å; M415-C568 VanDerWaalsContact CE-SG 3.53Å; M415-Y569 HydrophobicContact CE-CD1 4.28Å; M415-Y569 HydrophobicContact CE-CE1 4.24Å; M415-V572 HydrophobicContact CE-CG2 3.99Å
416	A	84	Confident	86.7	Confident	5 Å²	5	22 Å²	22	4%	0.041	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-61.2	-25.5	172.9	0	0	0	0	0	113.1	N110 G413 I414 S418 N419	N110-A416 HydrophobicContact CB-CB 3.72Å; N110-A416 VanDerWaalsContact ND2-CB 3.34Å; N110-A416 WeakPolarHBondContact ND2-CB 3.41Å; G413-A416 WeakPolarHBondContact O-CB 3.36Å; G413-A416 PolarHBondContact O-N 3.36Å; I414-A416 PolarHBondContact O-N 3.4Å; A416-S418 VanDerWaalsContact C-N 3.35Å; A416-S418 PolarHBondContact O-N 3.28Å; A416-N419 PolarHBondContact O-N 3.32Å
417	G	82	Confident	86.5	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-65.2	-31.8	176.2	0	0	0	0	0	114.4	I414 M415	I414-G417 PolarHBondContact O-N 2.94Å; M415-G417 PolarHBondContact O-N 2.97Å
418	S	86.1	Confident	86.3	Confident	1 Å²	1	25.4 Å²	25.4	1%	0.007	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-4.5	178	52.4	0	0	0	0	113.6	G163 S164 M415 A416 R420 S421	G163-S418 CarbonylContact C-O 3.51Å; G163-S418 WeakPolarHBondContact CA-O 3.42Å; S164-S418 WeakPolarHBondContact CB-OG 3.17Å; S164-S418 PolarHBondContact N-O 2.89Å; M415-S418 PolarHBondContact O-N 3.12Å; M415-S418 PolarHBondContact O-OG 3.21Å; A416-S418 VanDerWaalsContact C-N 3.35Å; A416-S418 PolarHBondContact O-N 3.28Å; S418-R420 PolarHBondContact O-N 3.18Å; S418-R420 VanDerWaalsContact O-N 3.15Å; S418-S421 PolarHBondContact O-N 3.08Å
419	N	84.5	Confident	86.1	Confident	23 Å²	23	32.3 Å²	32.3	12%	0.123	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-8	-179.5	-81.8	-10.5	0	0	0	115.1	P72 Q73 S164 M415 A416	P72-N419 HydrophobicContact CB-CB 3.82Å; Q73-N419 WeakPolarHBondContact CB-O 3.43Å; Q73-N419 WeakPolarHBondContact CG-O 3.39Å; Q73-N419 PolarHBondContact N-O 2.85Å; S164-N419 VanDerWaalsContact CB-OD1 3.27Å; S164-N419 WeakPolarHBondContact CB-OD1 3.46Å; S164-N419 PolarHBondContact OG-OD1 3.3Å; M415-N419 PolarHBondContact O-N 3.24Å; M415-N419 PolarHBondContact O-OD1 3.22Å; A416-N419 PolarHBondContact O-N 3.32Å
420	R	79	Confident	86.1	Confident	4 Å²	4	32.4 Å²	32.4	2%	0.015	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	34.9	171.8	-58.3	-162.4	-158.6	136.9	1.4	113.6	T69 N70 M97 M101 P106 S418 G422 D423	T69-R420 PolarHBondContact O-NE 3.05Å; T69-R420 PolarHBondContact O-NH2 2.99Å; N70-R420 VanDerWaalsContact CA-NH2 3.35Å; M97-R420 PolarHBondContact SD-NH1 3.15Å; M101-R420 PolarHBondContact O-NH1 3.24Å; P106-R420 VanDerWaalsContact CG-NH2 3.3Å; S418-R420 PolarHBondContact O-N 3.18Å; S418-R420 VanDerWaalsContact O-N 3.15Å; R420-G422 PolarHBondContact O-N 3.03Å; R420-D423 PolarHBondContact O-N 3.39Å; R420-D423 VanDerWaalsContact O-N 3.13Å
421	S	81.4	Confident	86.2	Confident	6 Å²	6	32.3 Å²	32.3	4%	0.042	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-33.9	-173.3	59.1	0	0	0	0	114.8	P160 G163 S418	P160-S421 WeakPolarHBondContact O-CB 3.31Å; P160-S421 PolarHBondContact O-OG 3.46Å; G163-S421 PolarHBondContact N-OG 3.03Å; S418-S421 PolarHBondContact O-N 3.08Å
422	G	76.9	Confident	86.2	Confident	37 Å²	37	32.3 Å²	32.3	38%	0.381	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-22.5	-178.5	0	0	0	0	0	116	R420	R420-G422 PolarHBondContact O-N 3.03Å
423	D	79.9	Confident	86.3	Confident	64 Å²	64	35.5 Å²	35.5	34%	0.342	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-7	-176.1	-66.2	-28.8	0	0	0	113.2	Q73 R96 M97 R420	Q73-D423 PolarHBondContact NE2-OD1 3.41Å; Q73-D423 VanDerWaalsContact NE2-OD1 3.16Å; Q73-D423 PolarHBondContact NE2-OD2 2.81Å; R96-D423 CarbonylContact C-O 3.58Å; R96-D423 WeakPolarHBondContact CA-O 3.35Å; M97-D423 PolarHBondContact N-O 3.49Å; R420-D423 PolarHBondContact O-N 3.39Å; R420-D423 VanDerWaalsContact O-N 3.13Å
424	L	83.5	Confident	86.5	Confident	9 Å²	9	34.9 Å²	34.9	5%	0.047	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-80.4	142.7	-174.6	-65	170.6	0	0	0	112	M97 V103 D426 A427 I431	M97-L424 HydrophobicContact CB-CD2 4.38Å; M97-L424 WeakPolarHBondContact O-CA 3.48Å; V103-L424 HydrophobicContact CG2-CD1 3.71Å; V103-L424 HydrophobicContact CG2-CD2 3.77Å; V103-L424 HydrophobicContact CG2-CG 4.42Å; L424-D426 VanDerWaalsContact C-N 3.33Å; L424-D426 PolarHBondContact O-N 3Å; L424-A427 HydrophobicContact CB-CB 4.25Å; L424-A427 HydrophobicContact CD1-CB 4.09Å; L424-I431 HydrophobicContact CD1-CD1 4.27Å; L424-I431 HydrophobicContact CD1-CG1 3.82Å
425	R	81.5	Confident	86.6	Confident	206 Å²	206	34.8 Å²	34.8	78%	0.777	18%	0.177	S	C	*	.	S	Bend	trans	-63.4	-40	172.9	-176.5	176.6	176.2	174.9	0.3	112.2	R96 M97	R96-R425 HydrophobicContact CB-CB 4.07Å; M97-R425 PolarHBondContact O-N 3.48Å
426	D	85	Confident	86.9	Confident	70 Å²	70	36.9 Å²	36.9	37%	0.374	19%	0.188	S	C	.	.			trans	-145.3	96.7	175.9	173.4	-3.9	0	0	0	108.4	L424 Q428 K429 S430	L424-D426 VanDerWaalsContact C-N 3.33Å; L424-D426 PolarHBondContact O-N 3Å; D426-Q428 PolarHBondContact OD1-N 3.04Å; D426-Q428 VanDerWaalsContact OD1-N 3.12Å; D426-K429 PolarHBondContact OD1-N 2.92Å; D426-K429 WeakPolarHBondContact OD2-CB 3.41Å; D426-S430 WeakPolarHBondContact O-CB 3.4Å; D426-S430 PolarHBondContact O-N 3.1Å; D426-S430 PolarHBondContact O-OG 2.67Å
427	A	86.8	Confident	87.4	Confident	14 Å²	14	41.3 Å²	41.3	12%	0.116	21%	0.21	C	C	.	.	H	α-helix	trans	-67.4	-36.4	-179.2	0	0	0	0	0	112.8	V159 L424 K429 S430 I431	V159-A427 HydrophobicContact CB-CB 4.01Å; V159-A427 HydrophobicContact CG1-CB 4.02Å; V159-A427 HydrophobicContact CG2-CB 4.2Å; L424-A427 HydrophobicContact CB-CB 4.25Å; L424-A427 HydrophobicContact CD1-CB 4.09Å; A427-K429 VanDerWaalsContact C-N 3.33Å; A427-K429 PolarHBondContact O-N 2.83Å; A427-S430 PolarHBondContact O-N 3.21Å; A427-I431 HydrophobicContact CB-CD1 4.05Å; A427-I431 WeakPolarHBondContact O-CB 3.34Å; A427-I431 WeakPolarHBondContact O-CG1 3.31Å; A427-I431 PolarHBondContact O-N 3.05Å
428	Q	88.6	Confident	88.1	Confident	58 Å²	58	41.3 Å²	41.3	27%	0.271	21%	0.21	S	C	.	.	H	α-helix	trans	-64.4	-36.8	-176.9	-69	177.9	-4.1	0	0	112	G157 V159 D426 P432 R590	G157-Q428 PolarHBondContact O-NE2 3.12Å; V159-Q428 HydrophobicContact CG2-CG 3.77Å; D426-Q428 PolarHBondContact OD1-N 3.04Å; D426-Q428 VanDerWaalsContact OD1-N 3.12Å; Q428-P432 WeakPolarHBondContact O-CD 3.27Å; Q428-P432 WeakPolarHBondContact O-CG 3.46Å; Q428-R590 VanDerWaalsContact CD-NH2 3.27Å
429	K	89.8	Confident	88.5	Confident	146 Å²	146	41.3 Å²	41.3	64%	0.635	21%	0.21	S	C	*	.	H	α-helix	trans	-86.3	-39.9	174.9	-171	177.4	179.4	-179.5	0	112.8	D426 A427 T433	D426-K429 PolarHBondContact OD1-N 2.92Å; D426-K429 WeakPolarHBondContact OD2-CB 3.41Å; A427-K429 VanDerWaalsContact C-N 3.33Å; A427-K429 PolarHBondContact O-N 2.83Å; K429-T433 PolarHBondContact O-N 3.29Å; K429-T433 PolarHBondContact O-OG1 3.41Å
430	S	91.4	Very high	89	Confident	7 Å²	7	42.4 Å²	42.4	5%	0.049	22%	0.223	C	C	.	.	H	α-helix	trans	-72.7	-39.9	-172.8	-58.4	0	0	0	0	113.3	T99 D426 A427 T433 G434	T99-S430 PolarHBondContact OG1-OG 3.38Å; D426-S430 WeakPolarHBondContact O-CB 3.4Å; D426-S430 PolarHBondContact O-N 3.1Å; D426-S430 PolarHBondContact O-OG 2.67Å; A427-S430 PolarHBondContact O-N 3.21Å; S430-T433 PolarHBondContact O-OG1 3.08Å; S430-G434 PolarHBondContact O-N 2.89Å
431	I	92.5	Very high	89.8	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.1	-50.6	-177.2	-66.3	169.3	0	0	0	111.2	V103 M150 A154 V159 M167 L424 A427 T435	V103-I431 HydrophobicContact CG2-CG1 4.4Å; M150-I431 HydrophobicContact CE-CG2 4.47Å; M150-I431 HydrophobicContact SD-CG2 3.82Å; A154-I431 HydrophobicContact CB-CB 4.12Å; A154-I431 HydrophobicContact CB-CD1 4.39Å; A154-I431 HydrophobicContact CB-CG2 3.84Å; V159-I431 HydrophobicContact CG1-CD1 4.32Å; M167-I431 HydrophobicContact SD-CD1 4.17Å; L424-I431 HydrophobicContact CD1-CD1 4.27Å; L424-I431 HydrophobicContact CD1-CG1 3.82Å; A427-I431 HydrophobicContact CB-CD1 4.05Å; A427-I431 WeakPolarHBondContact O-CB 3.34Å; A427-I431 WeakPolarHBondContact O-CG1 3.31Å; A427-I431 PolarHBondContact O-N 3.05Å; I431-T435 VanDerWaalsContact O-CB 3.24Å; I431-T435 WeakPolarHBondContact O-CB 3.11Å; I431-T435 PolarHBondContact O-N 2.88Å; I431-T435 VanDerWaalsContact O-N 3.08Å; I431-T435 PolarHBondContact O-OG1 3.49Å
432	P	94.4	Very high	90.4	Very high	4 Å²	4	44.3 Å²	44.3	3%	0.026	23%	0.234	C	C	.	.	H	α-helix	trans	-61.2	-49	177.1	-26.2	36.5	0	0	0	113.5	S151 T155 Q428 I436 F591	S151-P432 WeakPolarHBondContact OG-CA 3.4Å; S151-P432 WeakPolarHBondContact OG-CB 3.25Å; T155-P432 HydrophobicContact CG2-CG 4.17Å; Q428-P432 WeakPolarHBondContact O-CD 3.27Å; Q428-P432 WeakPolarHBondContact O-CG 3.46Å; P432-I436 WeakPolarHBondContact O-CB 3.46Å; P432-I436 WeakPolarHBondContact O-CG1 3.29Å; P432-I436 PolarHBondContact O-N 2.98Å; P432-I436 VanDerWaalsContact O-N 3.11Å; P432-F591 HydrophobicContact CB-CD2 4.29Å; P432-F591 HydrophobicContact CB-CE2 3.84Å; P432-F591 HydrophobicContact CB-CZ 4.43Å
433	T	93.3	Very high	91.3	Very high	73 Å²	73	43.2 Å²	43.2	45%	0.448	22%	0.221	S	C	.	.	H	α-helix	trans	-67.5	-43.9	-175.4	47.7	0	0	0	0	112.5	T99 K429 S430 L437	T99-T433 WeakPolarHBondContact CG2-OG1 3.37Å; K429-T433 PolarHBondContact O-N 3.29Å; K429-T433 PolarHBondContact O-OG1 3.41Å; S430-T433 PolarHBondContact O-OG1 3.08Å; T433-L437 WeakPolarHBondContact O-CB 3.42Å; T433-L437 PolarHBondContact O-N 3.21Å
434	G	94.3	Very high	92	Very high	1 Å²	1	43 Å²	43	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-69.1	-39.6	179	0	0	0	0	0	113.3	S430 A438	S430-G434 PolarHBondContact O-N 2.89Å; G434-A438 WeakPolarHBondContact O-CB 3.38Å; G434-A438 PolarHBondContact O-N 3.3Å
435	T	94.8	Very high	92.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-71.6	-47.7	-177.5	-51.1	0	0	0	0	111.7	A147 M150 I431 L437 A438 I439	A147-T435 HydrophobicContact CB-CG2 4.22Å; M150-T435 HydrophobicContact CE-CG2 3.82Å; I431-T435 VanDerWaalsContact O-CB 3.24Å; I431-T435 WeakPolarHBondContact O-CB 3.11Å; I431-T435 PolarHBondContact O-N 2.88Å; I431-T435 VanDerWaalsContact O-N 3.08Å; I431-T435 PolarHBondContact O-OG1 3.49Å; T435-L437 VanDerWaalsContact C-N 3.33Å; T435-L437 PolarHBondContact O-N 3.33Å; T435-A438 PolarHBondContact O-N 3.23Å; T435-I439 HydrophobicContact CG2-CD1 4.07Å; T435-I439 WeakPolarHBondContact O-CG1 3.47Å; T435-I439 PolarHBondContact O-N 3.29Å
436	I	95.6	Very high	93.2	Very high	46 Å²	46	33.7 Å²	33.7	24%	0.236	19%	0.194	C	C	.	.	H	α-helix	trans	-63.5	-41.1	179.7	-67.6	171.1	0	0	0	110.6	M144 P432 I439 A440 F591	M144-I436 HydrophobicContact CE-CG2 4.39Å; M144-I436 HydrophobicContact SD-CG2 4.01Å; P432-I436 WeakPolarHBondContact O-CB 3.46Å; P432-I436 WeakPolarHBondContact O-CG1 3.29Å; P432-I436 PolarHBondContact O-N 2.98Å; P432-I436 VanDerWaalsContact O-N 3.11Å; I436-I439 PolarHBondContact O-N 3.45Å; I436-A440 WeakPolarHBondContact O-CB 3.15Å; I436-A440 PolarHBondContact O-N 2.83Å; I436-F591 HydrophobicContact CD1-CE1 4.41Å; I436-F591 HydrophobicContact CD1-CZ 3.81Å
437	L	95.3	Very high	93.7	Very high	98 Å²	98	32.4 Å²	32.4	51%	0.513	19%	0.187	S	C	.	.	H	α-helix	trans	-63.9	-43.3	176.7	-173.8	65	0	0	0	111.9	Y104 T433 T435 I439 A440 T441	Y104-L437 HydrophobicContact CD2-CB 4.13Å; Y104-L437 HydrophobicContact CD2-CD2 3.97Å; Y104-L437 HydrophobicContact CD2-CG 3.95Å; Y104-L437 HydrophobicContact CE2-CB 4.36Å; Y104-L437 HydrophobicContact CE2-CD2 4.05Å; Y104-L437 HydrophobicContact CE2-CG 3.8Å; T433-L437 WeakPolarHBondContact O-CB 3.42Å; T433-L437 PolarHBondContact O-N 3.21Å; T435-L437 VanDerWaalsContact C-N 3.33Å; T435-L437 PolarHBondContact O-N 3.33Å; L437-I439 PolarHBondContact O-N 3.02Å; L437-A440 PolarHBondContact O-N 3.4Å; L437-T441 PolarHBondContact O-N 3.45Å; L437-T441 PolarHBondContact O-OG1 3Å; L437-T441 VanDerWaalsContact O-OG1 3.09Å
438	A	95	Very high	94.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.6	-42.3	177.7	0	0	0	0	0	112.3	Y104 C107 G434 T435 T441 T442	Y104-A438 HydrophobicContact CD2-CB 3.84Å; Y104-A438 HydrophobicContact CE2-CB 4.2Å; C107-A438 HydrophobicContact CB-CB 3.7Å; G434-A438 WeakPolarHBondContact O-CB 3.38Å; G434-A438 PolarHBondContact O-N 3.3Å; T435-A438 PolarHBondContact O-N 3.23Å; A438-T441 PolarHBondContact O-N 3.33Å; A438-T442 WeakPolarHBondContact O-CG2 3.43Å; A438-T442 PolarHBondContact O-N 3.3Å; A438-T442 PolarHBondContact O-OG1 3.19Å
439	I	95.6	Very high	94.4	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-66.3	-39.9	176.1	-62.7	166.2	0	0	0	110.9	I111 M144 A147 I414 T435 I436 L437 T442 S443	I111-I439 HydrophobicContact CD1-CG1 4.2Å; M144-I439 HydrophobicContact CB-CG2 4.46Å; M144-I439 HydrophobicContact CE-CB 4.08Å; M144-I439 HydrophobicContact CE-CG2 3.73Å; A147-I439 HydrophobicContact CB-CD1 3.36Å; I414-I439 HydrophobicContact CB-CD1 4.14Å; I414-I439 HydrophobicContact CG2-CD1 3.6Å; I414-I439 HydrophobicContact CG2-CG1 3.83Å; T435-I439 HydrophobicContact CG2-CD1 4.07Å; T435-I439 WeakPolarHBondContact O-CG1 3.47Å; T435-I439 PolarHBondContact O-N 3.29Å; I436-I439 PolarHBondContact O-N 3.45Å; L437-I439 PolarHBondContact O-N 3.02Å; I439-T442 WeakPolarHBondContact CA-OG1 3.44Å; I439-T442 PolarHBondContact O-OG1 2.9Å; I439-S443 WeakPolarHBondContact O-CB 3.35Å; I439-S443 PolarHBondContact O-N 2.99Å; I439-S443 PolarHBondContact O-OG 3.46Å
440	A	95.6	Very high	94.6	Very high	46 Å²	46	24 Å²	24	38%	0.38	15%	0.152	S	C	.	.	H	α-helix	trans	-61.8	-45.2	175.7	0	0	0	0	0	111.6	M144 I436 L437 A444	M144-A440 HydrophobicContact CE-CB 4.49Å; I436-A440 WeakPolarHBondContact O-CB 3.15Å; I436-A440 PolarHBondContact O-N 2.83Å; L437-A440 PolarHBondContact O-N 3.4Å; A440-A444 WeakPolarHBondContact O-CB 3.36Å; A440-A444 PolarHBondContact O-N 3.44Å
441	T	95.1	Very high	94.8	Very high	45 Å²	45	26 Å²	26	28%	0.276	16%	0.164	S	C	.	.	H	α-helix	trans	-63.1	-47.9	177.2	-57.9	0	0	0	0	112.4	Y104 L108 L437 A438 A444 V445	Y104-T441 PolarHBondContact OH-OG1 2.94Å; L108-T441 HydrophobicContact CD1-CG2 3.96Å; L437-T441 PolarHBondContact O-N 3.45Å; L437-T441 PolarHBondContact O-OG1 3Å; L437-T441 VanDerWaalsContact O-OG1 3.09Å; A438-T441 PolarHBondContact O-N 3.33Å; T441-A444 PolarHBondContact O-N 3.01Å; T441-V445 WeakPolarHBondContact O-CG2 3.45Å; T441-V445 PolarHBondContact O-N 2.92Å
442	T	94.8	Very high	94.9	Very high	4 Å²	4	28.3 Å²	28.3	3%	0.025	18%	0.176	C	C	.	.	H	α-helix	trans	-67.9	-40.6	-179.2	54.3	0	0	0	0	111.6	L108 I111 F112 A438 I439 A444 V445 Y446	L108-T442 HydrophobicContact CD1-CG2 3.89Å; I111-T442 HydrophobicContact CB-CG2 3.91Å; I111-T442 HydrophobicContact CD1-CG2 4.12Å; I111-T442 HydrophobicContact CG2-CG2 3.66Å; F112-T442 HydrophobicContact CD1-CG2 4.31Å; F112-T442 HydrophobicContact CD2-CG2 4.46Å; F112-T442 HydrophobicContact CE1-CG2 3.87Å; F112-T442 HydrophobicContact CE2-CG2 4.06Å; F112-T442 HydrophobicContact CZ-CG2 3.73Å; A438-T442 WeakPolarHBondContact O-CG2 3.43Å; A438-T442 PolarHBondContact O-N 3.3Å; A438-T442 PolarHBondContact O-OG1 3.19Å; I439-T442 WeakPolarHBondContact CA-OG1 3.44Å; I439-T442 PolarHBondContact O-OG1 2.9Å; T442-A444 VanDerWaalsContact C-N 3.34Å; T442-A444 PolarHBondContact O-N 3.2Å; T442-V445 PolarHBondContact O-N 2.7Å; T442-Y446 WeakPolarHBondContact O-CD2 3.43Å; T442-Y446 PolarHBondContact O-N 3.48Å
443	S	95.1	Very high	94.9	Very high	15 Å²	15	28.1 Å²	28.1	11%	0.105	18%	0.175	C	C	.	.	H	α-helix	trans	-60.6	-42.1	174.5	-56	0	0	0	0	111.8	C140 I439 V445 Y446 I447	C140-S443 WeakPolarHBondContact CB-OG 3.35Å; C140-S443 PolarHBondContact SG-OG 3.16Å; I439-S443 WeakPolarHBondContact O-CB 3.35Å; I439-S443 PolarHBondContact O-N 2.99Å; I439-S443 PolarHBondContact O-OG 3.46Å; S443-V445 PolarHBondContact O-N 3.29Å; S443-Y446 PolarHBondContact O-N 3.36Å; S443-I447 WeakPolarHBondContact O-CB 3.49Å; S443-I447 VanDerWaalsContact O-CG1 3.25Å; S443-I447 WeakPolarHBondContact O-CG1 3.08Å; S443-I447 PolarHBondContact O-N 3.42Å
444	A	95.3	Very high	94.9	Very high	59 Å²	59	24.7 Å²	24.7	49%	0.488	15%	0.154	S	C	.	.	H	α-helix	trans	-62.4	-41.2	175.1	0	0	0	0	0	112.1	A440 T441 T442 S448	A440-A444 WeakPolarHBondContact O-CB 3.36Å; A440-A444 PolarHBondContact O-N 3.44Å; T441-A444 PolarHBondContact O-N 3.01Å; T442-A444 VanDerWaalsContact C-N 3.34Å; T442-A444 PolarHBondContact O-N 3.2Å; A444-S448 WeakPolarHBondContact O-CB 3.32Å; A444-S448 PolarHBondContact O-N 3.48Å; A444-S448 PolarHBondContact O-OG 3.31Å
445	V	95.1	Very high	94.8	Very high	19 Å²	19	25.3 Å²	25.3	12%	0.115	16%	0.159	C	C	.	.	H	α-helix	trans	-65.9	-42.5	176.4	170.6	0	0	0	0	111.9	F112 I267 T441 T442 S443 S448 S449	F112-V445 HydrophobicContact CE1-CB 4.18Å; F112-V445 HydrophobicContact CE1-CG1 3.91Å; F112-V445 HydrophobicContact CZ-CB 4.17Å; F112-V445 HydrophobicContact CZ-CG1 4.12Å; F112-V445 HydrophobicContact CZ-CG2 4.21Å; I267-V445 HydrophobicContact CG2-CG1 4.26Å; T441-V445 WeakPolarHBondContact O-CG2 3.45Å; T441-V445 PolarHBondContact O-N 2.92Å; T442-V445 PolarHBondContact O-N 2.7Å; S443-V445 PolarHBondContact O-N 3.29Å; V445-S448 PolarHBondContact O-OG 3.27Å; V445-S448 VanDerWaalsContact O-OG 3.1Å; V445-S449 VanDerWaalsContact O-CB 3.26Å; V445-S449 WeakPolarHBondContact O-CB 3.37Å; V445-S449 PolarHBondContact O-N 2.98Å; V445-S449 PolarHBondContact O-OG 3.45Å
446	Y	95	Very high	94.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-66.5	-46.6	177.2	-71.7	-55.6	0	0	0	112.3	I111 L116 L120 Y407 S410 T442 S443 S448 S449 V450	I111-Y446 HydrophobicContact CG2-CE2 4.12Å; I111-Y446 PolarHBondContact O-OH 3.01Å; I111-Y446 VanDerWaalsContact O-OH 3.09Å; L116-Y446 HydrophobicContact CB-CE1 4.01Å; L116-Y446 HydrophobicContact CD1-CD1 3.93Å; L116-Y446 HydrophobicContact CD1-CE1 3.78Å; L116-Y446 HydrophobicContact CG-CE1 4.33Å; L120-Y446 HydrophobicContact CD2-CD1 4.17Å; Y407-Y446 WeakPolarHBondContact OH-CB 3.45Å; Y407-Y446 VanDerWaalsContact OH-CG 3.29Å; S410-Y446 VanDerWaalsContact O-CE2 3.27Å; S410-Y446 WeakPolarHBondContact O-CE2 3.31Å; S410-Y446 PolarHBondContact O-OH 2.91Å; T442-Y446 WeakPolarHBondContact O-CD2 3.43Å; T442-Y446 PolarHBondContact O-N 3.48Å; S443-Y446 PolarHBondContact O-N 3.36Å; Y446-S448 PolarHBondContact O-N 3Å; Y446-S449 PolarHBondContact O-N 3.44Å; Y446-V450 WeakPolarHBondContact O-CG2 3.3Å; Y446-V450 PolarHBondContact O-N 3Å
447	I	94.6	Very high	94.6	Very high	43 Å²	43	23.1 Å²	23.1	22%	0.221	15%	0.147	C	C	.	.	H	α-helix	trans	-62.7	-44.9	-179.2	-71.6	171.1	0	0	0	111.5	F133 V136 S443 V451	F133-I447 HydrophobicContact CD2-CG2 3.89Å; F133-I447 HydrophobicContact CE2-CG2 3.42Å; F133-I447 VanDerWaalsContact CE2-CG2 3.42Å; F133-I447 HydrophobicContact CZ-CG2 4.3Å; V136-I447 HydrophobicContact CB-CG1 4.47Å; V136-I447 HydrophobicContact CG1-CD1 4.5Å; V136-I447 HydrophobicContact CG1-CG1 3.6Å; S443-I447 WeakPolarHBondContact O-CB 3.49Å; S443-I447 VanDerWaalsContact O-CG1 3.25Å; S443-I447 WeakPolarHBondContact O-CG1 3.08Å; S443-I447 PolarHBondContact O-N 3.42Å; I447-V451 PolarHBondContact O-N 2.88Å
448	S	95.4	Very high	94.5	Very high	36 Å²	36	18.7 Å²	18.7	25%	0.252	12%	0.124	S	C	.	.	H	α-helix	trans	-65.9	-43.1	175.9	52.4	0	0	0	0	111.8	Y271 A444 V445 Y446 V450 V451 L452	Y271-S448 PolarHBondContact OH-OG 3.4Å; A444-S448 WeakPolarHBondContact O-CB 3.32Å; A444-S448 PolarHBondContact O-N 3.48Å; A444-S448 PolarHBondContact O-OG 3.31Å; V445-S448 PolarHBondContact O-OG 3.27Å; V445-S448 VanDerWaalsContact O-OG 3.1Å; Y446-S448 PolarHBondContact O-N 3Å; S448-V450 VanDerWaalsContact C-N 3.31Å; S448-V450 PolarHBondContact O-N 2.93Å; S448-V451 PolarHBondContact O-N 3.26Å; S448-V451 VanDerWaalsContact O-N 3.16Å; S448-L452 WeakPolarHBondContact O-CB 3.49Å; S448-L452 VanDerWaalsContact O-CG 3.24Å; S448-L452 WeakPolarHBondContact O-CG 3.15Å; S448-L452 PolarHBondContact O-N 3.45Å
449	S	94.1	Very high	94.3	Very high	5 Å²	5	18.9 Å²	18.9	4%	0.035	13%	0.126	C	C	.	.	H	α-helix	trans	-58.2	-40.5	177.8	-59.8	0	0	0	0	112.7	V445 Y446 V451 L452 F453	V445-S449 VanDerWaalsContact O-CB 3.26Å; V445-S449 WeakPolarHBondContact O-CB 3.37Å; V445-S449 PolarHBondContact O-N 2.98Å; V445-S449 PolarHBondContact O-OG 3.45Å; Y446-S449 PolarHBondContact O-N 3.44Å; S449-V451 PolarHBondContact O-N 3.42Å; S449-L452 PolarHBondContact O-N 3.02Å; S449-F453 WeakPolarHBondContact O-CB 3.26Å; S449-F453 WeakPolarHBondContact O-CD2 3.42Å; S449-F453 WeakPolarHBondContact O-CG 3.49Å; S449-F453 PolarHBondContact O-N 2.96Å
450	V	95.5	Very high	94.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-56.4	-48.1	175.1	163.3	0	0	0	0	111.9	L120 V124 I129 F133 V136 Y446 S448 G454	L120-V450 HydrophobicContact CD1-CG2 3.9Å; V124-V450 HydrophobicContact CG2-CB 4.17Å; V124-V450 HydrophobicContact CG2-CG1 4.08Å; V124-V450 HydrophobicContact CG2-CG2 3.93Å; I129-V450 HydrophobicContact CG2-CG1 4.4Å; F133-V450 HydrophobicContact CB-CG1 4.48Å; V136-V450 HydrophobicContact CG2-CG2 3.87Å; Y446-V450 WeakPolarHBondContact O-CG2 3.3Å; Y446-V450 PolarHBondContact O-N 3Å; S448-V450 VanDerWaalsContact C-N 3.31Å; S448-V450 PolarHBondContact O-N 2.93Å; V450-G454 PolarHBondContact O-N 3.28Å
451	V	94.6	Very high	94	Very high	51 Å²	51	16.6 Å²	16.6	31%	0.309	11%	0.108	S	C	.	.	H	α-helix	trans	-69	-42.2	-179.9	178.9	0	0	0	0	111	I129 I354 I447 S448 S449 A455	I129-V451 HydrophobicContact CG2-CG2 4.39Å; I354-V451 HydrophobicContact CD1-CG1 4.45Å; I447-V451 PolarHBondContact O-N 2.88Å; S448-V451 PolarHBondContact O-N 3.26Å; S448-V451 VanDerWaalsContact O-N 3.16Å; S449-V451 PolarHBondContact O-N 3.42Å; V451-A455 VanDerWaalsContact O-CB 3.29Å; V451-A455 WeakPolarHBondContact O-CB 3.4Å; V451-A455 PolarHBondContact O-N 3.36Å
452	L	94.2	Very high	93.9	Very high	47 Å²	47	14.5 Å²	14.5	25%	0.246	10%	0.095	C	C	.	.	H	α-helix	trans	-69.5	-41.2	-176.7	-66.4	175.8	0	0	0	112.6	Y271 V274 S448 S449 A455 C456	Y271-L452 HydrophobicContact CD1-CD1 3.92Å; Y271-L452 HydrophobicContact CE1-CD1 3.69Å; V274-L452 HydrophobicContact CG1-CB 4.38Å; V274-L452 HydrophobicContact CG1-CD1 4.12Å; V274-L452 HydrophobicContact CG1-CD2 3.79Å; V274-L452 HydrophobicContact CG1-CG 4.29Å; V274-L452 HydrophobicContact CG2-CB 4.18Å; V274-L452 HydrophobicContact CG2-CD1 4.38Å; S448-L452 WeakPolarHBondContact O-CB 3.49Å; S448-L452 VanDerWaalsContact O-CG 3.24Å; S448-L452 WeakPolarHBondContact O-CG 3.15Å; S448-L452 PolarHBondContact O-N 3.45Å; S449-L452 PolarHBondContact O-N 3.02Å; L452-A455 PolarHBondContact O-N 3.47Å; L452-C456 WeakPolarHBondContact O-CB 3.29Å; L452-C456 PolarHBondContact O-N 2.88Å; L452-C456 VanDerWaalsContact O-N 3.08Å; L452-C456 PolarHBondContact O-SG 3.33Å
453	F	94.4	Very high	93.8	Very high	1 Å²	1	15.7 Å²	15.7	0%	0.004	10%	0.099	C	C	.	.	H	α-helix	trans	-63.2	-47.4	176.2	-64.2	-19.7	0	0	0	111.5	L120 T121 I270 S449 A455 C456 I457 L462 V476 L479	L120-F453 HydrophobicContact CB-CE2 4.21Å; L120-F453 HydrophobicContact CD2-CD2 4.48Å; L120-F453 HydrophobicContact CD2-CE2 3.89Å; L120-F453 HydrophobicContact CG-CD2 4.23Å; L120-F453 HydrophobicContact CG-CE2 3.96Å; T121-F453 HydrophobicContact CG2-CD2 3.71Å; T121-F453 HydrophobicContact CG2-CE2 3.92Å; T121-F453 HydrophobicContact CG2-CG 4.08Å; T121-F453 HydrophobicContact CG2-CZ 4.47Å; I270-F453 HydrophobicContact CG2-CE1 3.83Å; I270-F453 HydrophobicContact CG2-CZ 4.36Å; S449-F453 WeakPolarHBondContact O-CB 3.26Å; S449-F453 WeakPolarHBondContact O-CD2 3.42Å; S449-F453 WeakPolarHBondContact O-CG 3.49Å; S449-F453 PolarHBondContact O-N 2.96Å; F453-A455 PolarHBondContact O-N 3.26Å; F453-C456 PolarHBondContact O-N 3.34Å; F453-I457 HydrophobicContact CB-CD1 4.49Å; F453-I457 HydrophobicContact CD1-CD1 4.47Å; F453-I457 PolarHBondContact O-N 3.43Å; F453-I457 VanDerWaalsContact O-N 3.08Å; F453-L462 HydrophobicContact CB-CD2 4.36Å; F453-V476 HydrophobicContact CE1-CB 4.5Å; F453-V476 HydrophobicContact CE1-CG2 3.72Å; F453-V476 HydrophobicContact CZ-CB 4.27Å; F453-V476 HydrophobicContact CZ-CG2 3.58Å; F453-L479 HydrophobicContact CD1-CD2 3.96Å; F453-L479 HydrophobicContact CE1-CD2 4.21Å
454	G	92.8	Very high	93.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-65.9	-22.5	177	0	0	0	0	0	114.3	N357 V450	N357-G454 WeakPolarHBondContact CB-O 3.36Å; N357-G454 PolarHBondContact ND2-O 3Å; V450-G454 PolarHBondContact O-N 3.28Å
455	A	92.9	Very high	93	Very high	14 Å²	14	13.6 Å²	13.6	12%	0.116	8%	0.077	C	C	.	.	H	α-helix	trans	-86.7	-24	175.8	0	0	0	0	0	114.3	I354 V451 L452 F453	I354-A455 HydrophobicContact CB-CB 4.26Å; I354-A455 HydrophobicContact CD1-CB 4.36Å; I354-A455 HydrophobicContact CG1-CB 4.33Å; V451-A455 VanDerWaalsContact O-CB 3.29Å; V451-A455 WeakPolarHBondContact O-CB 3.4Å; V451-A455 PolarHBondContact O-N 3.36Å; L452-A455 PolarHBondContact O-N 3.47Å; F453-A455 PolarHBondContact O-N 3.26Å
456	C	93.3	Very high	92.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-107.2	-30.3	-171.8	-57.9	0	0	0	0	114.9	I346 P347 G348 L452 F453 L479	I346-C456 WeakPolarHBondContact CG2-O 3.22Å; P347-C456 WeakPolarHBondContact CD-O 3.3Å; G348-C456 PolarHBondContact N-O 3.2Å; L452-C456 WeakPolarHBondContact O-CB 3.29Å; L452-C456 PolarHBondContact O-N 2.88Å; L452-C456 VanDerWaalsContact O-N 3.08Å; L452-C456 PolarHBondContact O-SG 3.33Å; F453-C456 PolarHBondContact O-N 3.34Å; C456-L479 HydrophobicContact CB-CD1 4.04Å; C456-L479 HydrophobicContact CB-CD2 4.39Å
457	I	93.3	Very high	92.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.081	C	C	.	.	S	Bend	trans	-111.5	131.7	-168.2	-53.7	173.2	0	0	0	110.6	T121 I346 L353 N357 F453 V461 L462 V475 L479	T121-I457 HydrophobicContact CG2-CD1 4.42Å; I346-I457 HydrophobicContact CG1-CG1 4.46Å; L353-I457 WeakPolarHBondContact CD2-O 3.28Å; N357-I457 PolarHBondContact ND2-O 3.38Å; F453-I457 HydrophobicContact CB-CD1 4.49Å; F453-I457 HydrophobicContact CD1-CD1 4.47Å; F453-I457 PolarHBondContact O-N 3.43Å; F453-I457 VanDerWaalsContact O-N 3.08Å; I457-V461 HydrophobicContact CG2-CB 3.93Å; I457-V461 HydrophobicContact CG2-CG1 4.01Å; I457-L462 HydrophobicContact CB-CD1 4.37Å; I457-L462 HydrophobicContact CB-CD2 3.79Å; I457-L462 HydrophobicContact CB-CG 3.89Å; I457-L462 HydrophobicContact CD1-CD2 3.97Å; I457-L462 HydrophobicContact CG1-CD2 4.45Å; I457-L462 HydrophobicContact CG2-CD2 3.83Å; I457-L462 HydrophobicContact CG2-CG 3.8Å; I457-L462 WeakPolarHBondContact O-CD1 3.38Å; I457-V475 HydrophobicContact CD1-CG1 4.12Å; I457-V475 HydrophobicContact CG2-CG1 4.18Å; I457-L479 HydrophobicContact CD1-CB 4.47Å; I457-L479 HydrophobicContact CD1-CD2 4.03Å; I457-L479 HydrophobicContact CG1-CD2 4.27Å
458	E	93.1	Very high	91.7	Very high	6 Å²	6	15.7 Å²	15.7	3%	0.028	8%	0.084	C	C	.	.			trans	-56.8	136.5	179.8	-179	59.6	-135.2	0	0	112	I286 I343 G345 L353 R371 V460 V461 L462	I286-E458 HydrophobicContact CD1-CG 4.19Å; I343-E458 HydrophobicContact CD1-CG 4.29Å; G345-E458 VanDerWaalsContact O-CB 3.22Å; G345-E458 WeakPolarHBondContact O-CB 3.37Å; G345-E458 PolarHBondContact O-N 3.47Å; L353-E458 WeakPolarHBondContact CD1-OE2 3.42Å; R371-E458 IonicContact CZ-OE1 3.68Å; R371-E458 IonicContact CZ-OE2 3.79Å; R371-E458 VanDerWaalsContact NE-CD 3.34Å; R371-E458 IonicContact NE-OE1 2.79Å; R371-E458 PolarHBondContact NE-OE1 3.04Å; R371-E458 IonicContact NE-OE2 3.57Å; R371-E458 VanDerWaalsContact NH2-CD 3.27Å; R371-E458 IonicContact NH2-OE1 3.91Å; R371-E458 PolarHBondContact NH2-OE1 2.94Å; R371-E458 IonicContact NH2-OE2 3.32Å; R371-E458 PolarHBondContact NH2-OE2 2.87Å; E458-V460 HydrophobicContact CG-CG2 3.85Å; E458-V460 PolarHBondContact O-N 3.42Å; E458-V460 VanDerWaalsContact O-N 3.12Å; E458-V461 HydrophobicContact CB-CG2 4.23Å; E458-V461 WeakPolarHBondContact O-CA 3.48Å; E458-V461 WeakPolarHBondContact O-CB 3.26Å; E458-V461 PolarHBondContact O-N 3.03Å; E458-L462 PolarHBondContact O-N 2.92Å
459	G	91.1	Very high	91.4	Very high	4 Å²	4	14 Å²	14	4%	0.041	7%	0.072	C	C	.	.	H	α-helix	trans	-62.3	-26	-169.6	0	0	0	0	0	114.8	N357 R463	N357-G459 WeakPolarHBondContact OD1-CA 3.18Å; G459-R463 WeakPolarHBondContact O-CG 3.43Å; G459-R463 PolarHBondContact O-N 3.47Å; G459-R463 PolarHBondContact O-NE 3.02Å
460	V	91.9	Very high	91.1	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-72.1	-34.2	172.4	-66.9	0	0	0	0	112.4	I286 V369 R371 E458 R463 D464	I286-V460 HydrophobicContact CD1-CG2 3.4Å; V369-V460 HydrophobicContact CG1-CB 4.01Å; V369-V460 HydrophobicContact CG1-CG1 4.08Å; R371-V460 HydrophobicContact CB-CG1 3.81Å; R371-V460 HydrophobicContact CG-CG1 4.33Å; E458-V460 HydrophobicContact CG-CG2 3.85Å; E458-V460 PolarHBondContact O-N 3.42Å; E458-V460 VanDerWaalsContact O-N 3.12Å; V460-R463 VanDerWaalsContact CG1-NH2 3.26Å; V460-R463 PolarHBondContact O-N 2.9Å; V460-D464 PolarHBondContact O-N 3.41Å
461	V	93.1	Very high	90.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-73.8	-34.7	177.2	-174.4	0	0	0	0	110.8	I286 I457 E458 R463 D464 V470 V475	I286-V461 HydrophobicContact CD1-CG2 3.76Å; I286-V461 HydrophobicContact CG2-CG2 3.88Å; I457-V461 HydrophobicContact CG2-CB 3.93Å; I457-V461 HydrophobicContact CG2-CG1 4.01Å; E458-V461 HydrophobicContact CB-CG2 4.23Å; E458-V461 WeakPolarHBondContact O-CA 3.48Å; E458-V461 WeakPolarHBondContact O-CB 3.26Å; E458-V461 PolarHBondContact O-N 3.03Å; V461-R463 VanDerWaalsContact C-N 3.28Å; V461-R463 PolarHBondContact O-N 3.35Å; V461-D464 PolarHBondContact O-N 2.79Å; V461-V470 HydrophobicContact CG1-CG1 3.75Å; V461-V470 HydrophobicContact CG1-CG2 4.44Å; V461-V470 HydrophobicContact CG2-CG1 4.22Å; V461-V475 HydrophobicContact CG1-CG1 3.97Å; V461-V475 HydrophobicContact CG1-CG2 4.12Å
462	L	92.6	Very high	90.1	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-65.9	-28.7	171.7	-70.6	175.1	0	0	0	113	T121 W122 V124 F453 I457 E458	T121-L462 HydrophobicContact CG2-CD2 4.25Å; W122-L462 VanDerWaalsContact CA-O 3.31Å; W122-L462 WeakPolarHBondContact CA-O 3.27Å; V124-L462 HydrophobicContact CG1-CD1 4.36Å; F453-L462 HydrophobicContact CB-CD2 4.36Å; I457-L462 HydrophobicContact CB-CD1 4.37Å; I457-L462 HydrophobicContact CB-CD2 3.79Å; I457-L462 HydrophobicContact CB-CG 3.89Å; I457-L462 HydrophobicContact CD1-CD2 3.97Å; I457-L462 HydrophobicContact CG1-CD2 4.45Å; I457-L462 HydrophobicContact CG2-CD2 3.83Å; I457-L462 HydrophobicContact CG2-CG 3.8Å; I457-L462 WeakPolarHBondContact O-CD1 3.38Å; E458-L462 PolarHBondContact O-N 2.92Å
463	R	91.9	Very high	89.9	Confident	29 Å²	29	17.1 Å²	17.1	11%	0.109	9%	0.093	C	C	.	.	H	α-helix	trans	-85.2	-15.7	179.9	-75.7	176.2	-76	148.9	-0.4	113.5	G125 I126 V369 E370 G459 V460 V461	G125-R463 WeakPolarHBondContact O-CD 3.38Å; G125-R463 WeakPolarHBondContact O-CG 3.32Å; I126-R463 HydrophobicContact CD1-CB 4.44Å; I126-R463 HydrophobicContact CD1-CG 4.01Å; V369-R463 HydrophobicContact CG1-CB 3.9Å; E370-R463 PolarHBondContact O-NH1 3.48Å; E370-R463 PolarHBondContact O-NH2 3.08Å; G459-R463 WeakPolarHBondContact O-CG 3.43Å; G459-R463 PolarHBondContact O-N 3.47Å; G459-R463 PolarHBondContact O-NE 3.02Å; V460-R463 VanDerWaalsContact CG1-NH2 3.26Å; V460-R463 PolarHBondContact O-N 2.9Å; V461-R463 VanDerWaalsContact C-N 3.28Å; V461-R463 PolarHBondContact O-N 3.35Å
464	D	88.9	Confident	89.7	Confident	5 Å²	5	17.4 Å²	17.4	3%	0.027	9%	0.094	C	C	.	.			trans	-78.5	123.2	170.3	-178.8	-8.5	0	0	0	110.2	V392 V460 V461 F466 G467 E468 A469	V392-D464 HydrophobicContact CG1-CB 4.23Å; V460-D464 PolarHBondContact O-N 3.41Å; V461-D464 PolarHBondContact O-N 2.79Å; D464-F466 PolarHBondContact OD1-N 3.43Å; D464-G467 PolarHBondContact OD1-N 3.03Å; D464-G467 VanDerWaalsContact OD2-C 3.27Å; D464-G467 WeakPolarHBondContact OD2-CA 3.47Å; D464-E468 PolarHBondContact OD2-N 2.94Å; D464-A469 WeakPolarHBondContact OD2-CB 3.47Å; D464-A469 PolarHBondContact OD2-N 3.17Å
465	K	84.4	Confident	89.6	Confident	24 Å²	24	17.6 Å²	17.6	10%	0.104	10%	0.095	C	C	.	.	S	Bend	trans	-83.9	-32.2	-175.8	174.8	179.4	159.7	-174.9	0	112.8	W122 D395 D555	W122-K465 HydrophobicContact CG-CB 4.48Å; D395-K465 IonicContact OD2-NZ 3.23Å; D395-K465 PolarHBondContact OD2-NZ 3.45Å; K465-D555 WeakPolarHBondContact CE-OD2 3.35Å; K465-D555 IonicContact NZ-OD2 3.8Å; K465-D555 PolarHBondContact NZ-OD2 3.49Å
466	F	85.9	Confident	89.6	Confident	45 Å²	45	17 Å²	17	20%	0.197	9%	0.09	C	C	.	.	S	Bend	trans	-108.3	-9.5	-173.1	-61.4	-62.6	0	0	0	113.1	Y206 M226 D464	Y206-F466 WeakPolarHBondContact CE1-O 3.45Å; M226-F466 HydrophobicContact CE-CE1 4.09Å; M226-F466 HydrophobicContact CE-CZ 4.45Å; M226-F466 HydrophobicContact SD-CZ 4.49Å; D464-F466 PolarHBondContact OD1-N 3.43Å
467	G	86.4	Confident	89.4	Confident	0 Å²	0	17 Å²	17	0%	0	9%	0.09	C	C	.	.			trans	79.6	24.9	177.1	0	0	0	0	0	113.7	D464 A469 V470 N471 G472	D464-G467 PolarHBondContact OD1-N 3.03Å; D464-G467 VanDerWaalsContact OD2-C 3.27Å; D464-G467 WeakPolarHBondContact OD2-CA 3.47Å; G467-A469 VanDerWaalsContact C-N 3.27Å; G467-A469 PolarHBondContact O-N 3.32Å; G467-V470 CarbonylContact O-C 3.56Å; G467-V470 VanDerWaalsContact O-C 3.28Å; G467-V470 WeakPolarHBondContact O-CA 3.37Å; G467-V470 VanDerWaalsContact O-CG2 3.23Å; G467-V470 WeakPolarHBondContact O-CG2 3.42Å; G467-V470 PolarHBondContact O-N 3.14Å; G467-N471 PolarHBondContact O-N 3.38Å; G467-G472 WeakPolarHBondContact O-CA 3.33Å; G467-G472 PolarHBondContact O-N 2.91Å
468	E	86.8	Confident	89.3	Confident	62 Å²	62	17 Å²	17	29%	0.29	9%	0.091	S	C	.	.	G	3₁₀ helix	trans	-55.1	-40	174.9	-74	-175.5	-137.8	0	0	113	S295 R296 V392 D464 V470 N471	S295-E468 PolarHBondContact OG-OE2 3.44Å; R296-E468 PolarHBondContact N-O 3.48Å; V392-E468 HydrophobicContact CG2-CB 4.28Å; D464-E468 PolarHBondContact OD2-N 2.94Å; E468-V470 PolarHBondContact O-N 3.46Å; E468-N471 PolarHBondContact O-N 3.01Å
469	A	87.4	Confident	89.3	Confident	1 Å²	1	16.9 Å²	16.9	1%	0.008	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-62.4	-28	175.7	0	0	0	0	0	112.5	I286 T293 V392 D464 G467	I286-A469 HydrophobicContact CG2-CB 4.38Å; I286-A469 WeakPolarHBondContact CG2-O 3.33Å; T293-A469 HydrophobicContact CG2-CB 3.95Å; V392-A469 HydrophobicContact CG2-CB 4.34Å; D464-A469 WeakPolarHBondContact OD2-CB 3.47Å; D464-A469 PolarHBondContact OD2-N 3.17Å; G467-A469 VanDerWaalsContact C-N 3.27Å; G467-A469 PolarHBondContact O-N 3.32Å
470	V	88.8	Confident	89.4	Confident	6 Å²	6	17.1 Å²	17.1	4%	0.036	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-108.9	32.9	-179.2	-66.6	0	0	0	0	112.3	I286 V461 G467 E468 N473 T478	I286-V470 HydrophobicContact CG2-CG1 3.75Å; V461-V470 HydrophobicContact CG1-CG1 3.75Å; V461-V470 HydrophobicContact CG1-CG2 4.44Å; V461-V470 HydrophobicContact CG2-CG1 4.22Å; G467-V470 CarbonylContact O-C 3.56Å; G467-V470 VanDerWaalsContact O-C 3.28Å; G467-V470 WeakPolarHBondContact O-CA 3.37Å; G467-V470 VanDerWaalsContact O-CG2 3.23Å; G467-V470 WeakPolarHBondContact O-CG2 3.42Å; G467-V470 PolarHBondContact O-N 3.14Å; E468-V470 PolarHBondContact O-N 3.46Å; V470-N473 HydrophobicContact CG2-CB 4.26Å; V470-N473 VanDerWaalsContact CG2-O 3.31Å; V470-N473 WeakPolarHBondContact CG2-O 3.48Å; V470-N473 WeakPolarHBondContact O-CB 3.45Å; V470-N473 PolarHBondContact O-N 3.08Å; V470-N473 PolarHBondContact O-ND2 3.26Å; V470-T478 HydrophobicContact CG2-CG2 4.36Å
471	N	85.4	Confident	89.4	Confident	96 Å²	96	23.8 Å²	23.8	51%	0.513	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	46.3	174.7	-168	31.1	0	0	0	113.5	R296 G467 E468 N473	R296-N471 HydrophobicContact CB-CB 4.19Å; R296-N471 HydrophobicContact CG-CB 4.16Å; G467-N471 PolarHBondContact O-N 3.38Å; E468-N471 PolarHBondContact O-N 3.01Å; N471-N473 VanDerWaalsContact C-N 3.27Å; N471-N473 PolarHBondContact O-N 3.42Å; N471-N473 PolarHBondContact O-ND2 3.38Å
472	G	84	Confident	89.3	Confident	23 Å²	23	28 Å²	28	24%	0.237	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	20.6	177.7	0	0	0	0	0	114.4	Y206 G467	Y206-G472 WeakPolarHBondContact CD1-O 3.23Å; G467-G472 WeakPolarHBondContact O-CA 3.33Å; G467-G472 PolarHBondContact O-N 2.91Å
473	N	89.6	Confident	89.3	Confident	43 Å²	43	29.9 Å²	29.9	23%	0.23	16%	0.158	C	C	.	.			trans	-89.8	135.5	175.3	-71.6	-82.6	0	0	0	111.2	V470 N471 V475 T478	V470-N473 HydrophobicContact CG2-CB 4.26Å; V470-N473 VanDerWaalsContact CG2-O 3.31Å; V470-N473 WeakPolarHBondContact CG2-O 3.48Å; V470-N473 WeakPolarHBondContact O-CB 3.45Å; V470-N473 PolarHBondContact O-N 3.08Å; V470-N473 PolarHBondContact O-ND2 3.26Å; N471-N473 VanDerWaalsContact C-N 3.27Å; N471-N473 PolarHBondContact O-N 3.42Å; N471-N473 PolarHBondContact O-ND2 3.38Å; N473-V475 PolarHBondContact O-N 3.43Å; N473-T478 HydrophobicContact CB-CG2 3.49Å; N473-T478 VanDerWaalsContact CB-CG2 3.49Å
474	L	89.8	Confident	89.3	Confident	6 Å²	6	29.7 Å²	29.7	3%	0.031	16%	0.16	C	C	.	.			trans	-59.2	123.4	174.7	-169.8	158.7	0	0	0	110.2	L118 Y206 V476 G477 T478 I487 V488	L118-L474 HydrophobicContact CD1-CD1 4.27Å; Y206-L474 HydrophobicContact CD1-CB 3.94Å; Y206-L474 HydrophobicContact CD2-CB 4.24Å; Y206-L474 HydrophobicContact CD2-CD1 3.76Å; Y206-L474 HydrophobicContact CD2-CG 4.37Å; Y206-L474 HydrophobicContact CE1-CB 3.8Å; Y206-L474 HydrophobicContact CE1-CG 4.45Å; Y206-L474 HydrophobicContact CE2-CB 4.15Å; Y206-L474 HydrophobicContact CE2-CD1 3.69Å; Y206-L474 HydrophobicContact CE2-CG 4.02Å; Y206-L474 HydrophobicContact CG-CB 4.16Å; Y206-L474 HydrophobicContact CG-CD1 4.42Å; L474-V476 HydrophobicContact CD2-CB 4.36Å; L474-V476 HydrophobicContact CD2-CG1 3.28Å; L474-V476 PolarHBondContact O-N 3.45Å; L474-G477 CarbonylContact O-C 3.56Å; L474-G477 WeakPolarHBondContact O-CA 3.45Å; L474-G477 PolarHBondContact O-N 3.01Å; L474-T478 PolarHBondContact O-N 3.37Å; L474-T478 VanDerWaalsContact O-N 3.12Å; L474-I487 HydrophobicContact CD2-CG2 4.27Å; L474-V488 HydrophobicContact CB-CG2 4.31Å
475	V	91.5	Very high	89.4	Confident	5 Å²	5	35.8 Å²	35.8	3%	0.03	18%	0.182	C	C	.	.	H	α-helix	trans	-58.8	-42.9	-166.4	175.2	0	0	0	0	114.4	T121 I457 V461 N473 G477 T478	T121-V475 HydrophobicContact CG2-CG1 4.08Å; I457-V475 HydrophobicContact CD1-CG1 4.12Å; I457-V475 HydrophobicContact CG2-CG1 4.18Å; V461-V475 HydrophobicContact CG1-CG1 3.97Å; V461-V475 HydrophobicContact CG1-CG2 4.12Å; N473-V475 PolarHBondContact O-N 3.43Å; V475-G477 VanDerWaalsContact C-N 3.26Å; V475-G477 PolarHBondContact O-N 2.91Å; V475-T478 PolarHBondContact O-N 3.33Å; V475-T478 PolarHBondContact O-OG1 3.35Å
476	V	91.9	Very high	89.8	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-73.3	-20.2	173.2	57.8	0	0	0	0	112.6	F117 T121 I270 F453 L474 I487	F117-V476 WeakPolarHBondContact O-CG1 3.32Å; T121-V476 HydrophobicContact CG2-CB 3.92Å; I270-V476 HydrophobicContact CD1-CG2 3.52Å; I270-V476 HydrophobicContact CG1-CG2 3.72Å; I270-V476 HydrophobicContact CG2-CG2 4.29Å; F453-V476 HydrophobicContact CE1-CB 4.5Å; F453-V476 HydrophobicContact CE1-CG2 3.72Å; F453-V476 HydrophobicContact CZ-CB 4.27Å; F453-V476 HydrophobicContact CZ-CG2 3.58Å; L474-V476 HydrophobicContact CD2-CB 4.36Å; L474-V476 HydrophobicContact CD2-CG1 3.28Å; L474-V476 PolarHBondContact O-N 3.45Å; V476-I487 HydrophobicContact CG1-CG2 4.32Å
477	G	90.7	Very high	90.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.7	-39.9	171.9	0	0	0	0	0	112.9	L474 V475 L479 A480 P484	L474-G477 CarbonylContact O-C 3.56Å; L474-G477 WeakPolarHBondContact O-CA 3.45Å; L474-G477 PolarHBondContact O-N 3.01Å; V475-G477 VanDerWaalsContact C-N 3.26Å; V475-G477 PolarHBondContact O-N 2.91Å; G477-L479 PolarHBondContact O-N 3.13Å; G477-A480 PolarHBondContact O-N 3.19Å; G477-P484 VanDerWaalsContact O-CA 3.25Å; G477-P484 WeakPolarHBondContact O-CA 3.49Å; G477-P484 WeakPolarHBondContact O-CB 3.14Å; G477-P484 WeakPolarHBondContact O-CG 3.47Å
478	T	90.8	Very high	90.4	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.012	19%	0.185	C	C	.	.	H	α-helix	trans	-65	-22.4	178.6	57.2	0	0	0	0	113.1	F284 I346 V470 N473 L474 V475	F284-T478 HydrophobicContact CD1-CG2 3.98Å; F284-T478 HydrophobicContact CD2-CG2 4.26Å; F284-T478 HydrophobicContact CE1-CG2 3.84Å; F284-T478 HydrophobicContact CE2-CG2 4.12Å; F284-T478 VanDerWaalsContact CE2-O 3.29Å; F284-T478 WeakPolarHBondContact CE2-O 3.46Å; F284-T478 HydrophobicContact CG-CG2 4.19Å; F284-T478 HydrophobicContact CZ-CG2 3.92Å; I346-T478 VanDerWaalsContact CD1-C 3.49Å; I346-T478 WeakPolarHBondContact CD1-O 3.49Å; I346-T478 WeakPolarHBondContact CD1-OG1 3.44Å; V470-T478 HydrophobicContact CG2-CG2 4.36Å; N473-T478 HydrophobicContact CB-CG2 3.49Å; N473-T478 VanDerWaalsContact CB-CG2 3.49Å; L474-T478 PolarHBondContact O-N 3.37Å; L474-T478 VanDerWaalsContact O-N 3.12Å; V475-T478 PolarHBondContact O-N 3.33Å; V475-T478 PolarHBondContact O-OG1 3.35Å
479	L	91.6	Very high	90.6	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.016	19%	0.192	C	C	.	.	H	α-helix	trans	-81.3	-22.2	172.9	-176.3	58.5	0	0	0	113.6	G273 V274 I346 F453 C456 I457 G477	G273-L479 CarbonylContact C-O 3.56Å; G273-L479 WeakPolarHBondContact CA-O 3.27Å; V274-L479 HydrophobicContact CG2-CD1 4.43Å; V274-L479 HydrophobicContact CG2-CD2 3.76Å; V274-L479 HydrophobicContact CG2-CG 4.2Å; I346-L479 HydrophobicContact CD1-CB 4.19Å; I346-L479 HydrophobicContact CG2-CD1 4.2Å; F453-L479 HydrophobicContact CD1-CD2 3.96Å; F453-L479 HydrophobicContact CE1-CD2 4.21Å; C456-L479 HydrophobicContact CB-CD1 4.04Å; C456-L479 HydrophobicContact CB-CD2 4.39Å; I457-L479 HydrophobicContact CD1-CB 4.47Å; I457-L479 HydrophobicContact CD1-CD2 4.03Å; I457-L479 HydrophobicContact CG1-CD2 4.27Å; G477-L479 PolarHBondContact O-N 3.13Å
480	A	93.4	Very high	90.8	Very high	9 Å²	9	36.5 Å²	36.5	7%	0.074	19%	0.194	C	C	.	.			trans	-81.3	142.3	-167.6	0	0	0	0	0	114.3	A269 G477 I487	A269-A480 HydrophobicContact CB-CB 4.42Å; G477-A480 PolarHBondContact O-N 3.19Å; A480-I487 HydrophobicContact CB-CD1 3.86Å; A480-I487 HydrophobicContact CB-CG1 3.41Å; A480-I487 VanDerWaalsContact CB-CG1 3.41Å
481	W	92.3	Very high	90.9	Very high	139 Å²	139	36.2 Å²	36.2	53%	0.527	19%	0.192	S	C	.	.	S	Bend	trans	-108.8	138.3	173.5	180	86.7	0	0	0	110.4	A269 A272 K276	A269-W481 WeakPolarHBondContact CA-O 3.42Å; A269-W481 VanDerWaalsContact CB-O 3.25Å; A269-W481 WeakPolarHBondContact CB-O 3.41Å; A269-W481 PolarHBondContact O-N 3.04Å; A269-W481 VanDerWaalsContact O-N 3.07Å; A272-W481 HydrophobicContact CB-CB 4.44Å; A272-W481 HydrophobicContact CB-CE3 3.96Å; K276-W481 HydrophobicContact CD-CB 4.5Å; K276-W481 VanDerWaalsContact CD-CD1 3.48Å; K276-W481 HydrophobicContact CD-CG 4.15Å
482	P	91.6	Very high	91.3	Very high	89 Å²	89	33.8 Å²	33.8	58%	0.578	18%	0.177	S	C	*	.	S	Bend	cis	-87.9	-11.9	8.8	34.1	-38.2	0	0	0	116.5	V486	P482-V486 HydrophobicContact CG-CG2 4.38Å
483	S	92.4	Very high	91.6	Very high	41 Å²	41	37 Å²	37	29%	0.287	19%	0.185	S	C	.	.			trans	-158	145.6	-176.3	-177.8	0	0	0	0	111.8	W485 V486	S483-W485 PolarHBondContact O-N 3.45Å; S483-W485 VanDerWaalsContact O-N 3.15Å; S483-V486 WeakPolarHBondContact O-CB 3.28Å; S483-V486 WeakPolarHBondContact O-CG2 3.47Å; S483-V486 PolarHBondContact O-N 3.48Å; S483-V486 VanDerWaalsContact O-N 3.08Å
484	P	90.8	Very high	91.6	Very high	24 Å²	24	35.3 Å²	35.3	16%	0.156	18%	0.176	C	C	.	.	H	α-helix	trans	-54.8	-32.3	174.9	-26.2	34.3	0	0	0	114	F284 G477 V486 I487 V488	F284-P484 HydrophobicContact CZ-CG 4.06Å; G477-P484 VanDerWaalsContact O-CA 3.25Å; G477-P484 WeakPolarHBondContact O-CA 3.49Å; G477-P484 WeakPolarHBondContact O-CB 3.14Å; G477-P484 WeakPolarHBondContact O-CG 3.47Å; P484-V486 PolarHBondContact O-N 2.91Å; P484-V486 VanDerWaalsContact O-N 3.15Å; P484-I487 PolarHBondContact O-N 3.29Å; P484-V488 PolarHBondContact O-N 3.5Å
485	W	91.3	Very high	91.6	Very high	133 Å²	133	35 Å²	35	50%	0.504	18%	0.175	S	C	.	.	H	α-helix	trans	-59.2	-25.2	178.8	-69.8	106	0	0	0	113.9	S483 I487 V488 I489	S483-W485 PolarHBondContact O-N 3.45Å; S483-W485 VanDerWaalsContact O-N 3.15Å; W485-I487 VanDerWaalsContact C-N 3.33Å; W485-I487 PolarHBondContact O-N 2.69Å; W485-V488 HydrophobicContact CE3-CB 4.32Å; W485-V488 HydrophobicContact CE3-CG1 4.21Å; W485-V488 HydrophobicContact CZ3-CG1 4.23Å; W485-V488 PolarHBondContact O-N 3Å; W485-I489 WeakPolarHBondContact O-CB 3.47Å; W485-I489 VanDerWaalsContact O-CG1 3.31Å; W485-I489 WeakPolarHBondContact O-CG1 3.41Å; W485-I489 PolarHBondContact O-N 3.44Å
486	V	93.1	Very high	91.6	Very high	51 Å²	51	36 Å²	36	31%	0.309	18%	0.182	S	C	.	.	H	α-helix	trans	-62.3	-42.5	175.1	179	0	0	0	0	110.7	A269 P482 S483 P484 G490	A269-V486 HydrophobicContact CB-CG1 4.1Å; P482-V486 HydrophobicContact CG-CG2 4.38Å; S483-V486 WeakPolarHBondContact O-CB 3.28Å; S483-V486 WeakPolarHBondContact O-CG2 3.47Å; S483-V486 PolarHBondContact O-N 3.48Å; S483-V486 VanDerWaalsContact O-N 3.08Å; P484-V486 PolarHBondContact O-N 2.91Å; P484-V486 VanDerWaalsContact O-N 3.15Å; V486-G490 WeakPolarHBondContact O-CA 3.45Å; V486-G490 PolarHBondContact O-N 3.4Å
487	I	92.8	Very high	91.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-75.2	-40.6	178.7	-52.8	-54.9	0	0	0	110.9	F117 S266 A269 I270 L474 V476 A480 P484 W485 G490 S491	F117-I487 HydrophobicContact CD1-CG2 3.91Å; S266-I487 VanDerWaalsContact O-CD1 3.25Å; S266-I487 WeakPolarHBondContact O-CD1 3.41Å; A269-I487 HydrophobicContact CB-CD1 4.09Å; I270-I487 HydrophobicContact CD1-CD1 4.22Å; I270-I487 HydrophobicContact CG1-CD1 3.83Å; I270-I487 HydrophobicContact CG1-CG1 4.49Å; L474-I487 HydrophobicContact CD2-CG2 4.27Å; V476-I487 HydrophobicContact CG1-CG2 4.32Å; A480-I487 HydrophobicContact CB-CD1 3.86Å; A480-I487 HydrophobicContact CB-CG1 3.41Å; A480-I487 VanDerWaalsContact CB-CG1 3.41Å; P484-I487 PolarHBondContact O-N 3.29Å; W485-I487 VanDerWaalsContact C-N 3.33Å; W485-I487 PolarHBondContact O-N 2.69Å; I487-G490 PolarHBondContact O-N 2.98Å; I487-S491 WeakPolarHBondContact O-CB 3.47Å; I487-S491 PolarHBondContact O-N 3.42Å; I487-S491 PolarHBondContact O-OG 3.44Å
488	V	92.3	Very high	91.4	Very high	8 Å²	8	36.8 Å²	36.8	5%	0.048	19%	0.188	C	C	.	.	H	α-helix	trans	-60.4	-49.1	178.4	175.3	0	0	0	0	110.9	I202 L207 L474 P484 W485 S491 F492	I202-V488 HydrophobicContact CG2-CG1 4.31Å; L207-V488 HydrophobicContact CD1-CG1 3.51Å; L207-V488 HydrophobicContact CG-CG1 4.25Å; L474-V488 HydrophobicContact CB-CG2 4.31Å; P484-V488 PolarHBondContact O-N 3.5Å; W485-V488 HydrophobicContact CE3-CB 4.32Å; W485-V488 HydrophobicContact CE3-CG1 4.21Å; W485-V488 HydrophobicContact CZ3-CG1 4.23Å; W485-V488 PolarHBondContact O-N 3Å; V488-S491 PolarHBondContact O-OG 2.93Å; V488-F492 WeakPolarHBondContact O-CB 3.28Å; V488-F492 PolarHBondContact O-N 3.05Å
489	I	91.7	Very high	91.5	Very high	83 Å²	83	36.7 Å²	36.7	43%	0.426	19%	0.188	S	C	.	.	H	α-helix	trans	-71.4	-41.7	178.7	-63.2	169.4	0	0	0	111.2	W485 F492 F493	W485-I489 WeakPolarHBondContact O-CB 3.47Å; W485-I489 VanDerWaalsContact O-CG1 3.31Å; W485-I489 WeakPolarHBondContact O-CG1 3.41Å; W485-I489 PolarHBondContact O-N 3.44Å; I489-F492 PolarHBondContact O-N 3Å; I489-F493 HydrophobicContact CG2-CD2 3.79Å; I489-F493 HydrophobicContact CG2-CE2 3.71Å; I489-F493 WeakPolarHBondContact O-CD2 3.46Å; I489-F493 PolarHBondContact O-N 3.13Å; I489-F493 VanDerWaalsContact O-N 3.15Å
490	G	91.1	Very high	91.4	Very high	6 Å²	6	37.4 Å²	37.4	6%	0.062	19%	0.191	C	C	.	.	H	α-helix	trans	-65	-43.9	-179.2	0	0	0	0	0	113.3	V486 I487 S494	V486-G490 WeakPolarHBondContact O-CA 3.45Å; V486-G490 PolarHBondContact O-N 3.4Å; I487-G490 PolarHBondContact O-N 2.98Å; G490-S494 VanDerWaalsContact O-CB 3.26Å; G490-S494 WeakPolarHBondContact O-CB 3.46Å; G490-S494 PolarHBondContact O-N 3.39Å
491	S	90.9	Very high	91.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-69.1	-35.4	176.3	62.6	0	0	0	0	112.5	I487 V488 S494 T495	I487-S491 WeakPolarHBondContact O-CB 3.47Å; I487-S491 PolarHBondContact O-N 3.42Å; I487-S491 PolarHBondContact O-OG 3.44Å; V488-S491 PolarHBondContact O-OG 2.93Å; S491-S494 PolarHBondContact O-N 2.89Å; S491-T495 WeakPolarHBondContact O-CB 3.28Å; S491-T495 PolarHBondContact O-N 2.98Å; S491-T495 PolarHBondContact O-OG1 3.46Å
492	F	92.9	Very high	91.1	Very high	44 Å²	44	31.4 Å²	31.4	19%	0.193	17%	0.169	C	C	.	.	H	α-helix	trans	-58.6	-53.9	172.8	177.5	-96	0	0	0	111.5	T199 I202 L203 V488 I489 T495 C496	T199-F492 HydrophobicContact CG2-CD2 3.83Å; T199-F492 HydrophobicContact CG2-CE2 3.52Å; T199-F492 HydrophobicContact CG2-CZ 4.16Å; I202-F492 HydrophobicContact CG2-CB 4Å; I202-F492 HydrophobicContact CG2-CD2 4.32Å; L203-F492 HydrophobicContact CB-CE2 4.36Å; L203-F492 HydrophobicContact CD1-CE2 4.24Å; V488-F492 WeakPolarHBondContact O-CB 3.28Å; V488-F492 PolarHBondContact O-N 3.05Å; I489-F492 PolarHBondContact O-N 3Å; F492-T495 PolarHBondContact O-N 3.48Å; F492-C496 VanDerWaalsContact O-CB 3.25Å; F492-C496 WeakPolarHBondContact O-CB 3.49Å; F492-C496 PolarHBondContact O-N 3.43Å
493	F	90.8	Very high	91.1	Very high	91 Å²	91	27.2 Å²	27.2	40%	0.399	14%	0.142	S	C	.	.	H	α-helix	trans	-67.5	-37.4	179.1	-76.8	-61.7	0	0	0	113.1	F259 I489 G497	F259-F493 HydrophobicContact CD1-CB 4.29Å; F259-F493 VanDerWaalsContact CD1-O 3.23Å; F259-F493 WeakPolarHBondContact CD1-O 3.33Å; F259-F493 HydrophobicContact CE1-CD1 4.44Å; I489-F493 HydrophobicContact CG2-CD2 3.79Å; I489-F493 HydrophobicContact CG2-CE2 3.71Å; I489-F493 WeakPolarHBondContact O-CD2 3.46Å; I489-F493 PolarHBondContact O-N 3.13Å; I489-F493 VanDerWaalsContact O-N 3.15Å; F493-G497 PolarHBondContact O-N 2.82Å
494	S	89.6	Confident	90.9	Very high	7 Å²	7	25.5 Å²	25.5	5%	0.049	13%	0.129	C	C	.	.	H	α-helix	trans	-56.2	-51.9	173.1	178.2	0	0	0	0	111.5	V263 G490 S491 G497 A498	V263-S494 WeakPolarHBondContact CG2-OG 3.43Å; G490-S494 VanDerWaalsContact O-CB 3.26Å; G490-S494 WeakPolarHBondContact O-CB 3.46Å; G490-S494 PolarHBondContact O-N 3.39Å; S491-S494 PolarHBondContact O-N 2.89Å; S494-G497 PolarHBondContact O-N 2.92Å; S494-A498 PolarHBondContact O-N 3.26Å
495	T	91.1	Very high	90.8	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	13%	0.127	C	C	.	.	H	α-helix	trans	-69.6	-41	-174.5	-49.2	0	0	0	0	111.2	V114 Y195 T199 S491 F492 G497 A498 G499	V114-T495 HydrophobicContact CB-CG2 3.88Å; V114-T495 HydrophobicContact CG2-CG2 3.98Å; Y195-T495 HydrophobicContact CD1-CG2 4.07Å; Y195-T495 HydrophobicContact CG-CG2 4.42Å; Y195-T495 WeakPolarHBondContact O-CG2 3.3Å; T199-T495 WeakPolarHBondContact OG1-CG2 3.42Å; S491-T495 WeakPolarHBondContact O-CB 3.28Å; S491-T495 PolarHBondContact O-N 2.98Å; S491-T495 PolarHBondContact O-OG1 3.46Å; F492-T495 PolarHBondContact O-N 3.48Å; T495-G497 VanDerWaalsContact C-N 3.33Å; T495-G497 PolarHBondContact O-N 3.48Å; T495-A498 PolarHBondContact O-N 3.14Å; T495-G499 PolarHBondContact O-N 3.45Å
496	C	91.1	Very high	90.9	Very high	26 Å²	26	18.5 Å²	18.5	18%	0.176	10%	0.103	C	C	.	.	H	α-helix	trans	-57.7	-43.9	171.9	179.8	0	0	0	0	112	T199 M241 F492 G499 L500	T199-C496 HydrophobicContact CG2-CB 4.24Å; T199-C496 PolarHBondContact OG1-N 2.89Å; M241-C496 HydrophobicContact CE-CB 4.23Å; M241-C496 VanDerWaalsContact CE-SG 3.55Å; F492-C496 VanDerWaalsContact O-CB 3.25Å; F492-C496 WeakPolarHBondContact O-CB 3.49Å; F492-C496 PolarHBondContact O-N 3.43Å; C496-G499 PolarHBondContact O-N 2.81Å; C496-L500 PolarHBondContact O-N 2.98Å
497	G	89.4	Confident	90.8	Very high	3 Å²	3	16.1 Å²	16.1	3%	0.031	9%	0.089	C	C	.	.	H	α-helix	trans	-63.5	-42.7	175.5	0	0	0	0	0	113.6	F493 S494 T495 L500 Q501	F493-G497 PolarHBondContact O-N 2.82Å; S494-G497 PolarHBondContact O-N 2.92Å; T495-G497 VanDerWaalsContact C-N 3.33Å; T495-G497 PolarHBondContact O-N 3.48Å; G497-L500 PolarHBondContact O-N 2.67Å; G497-Q501 WeakPolarHBondContact O-CB 3.42Å; G497-Q501 PolarHBondContact O-N 3.14Å
498	A	89.8	Confident	90.7	Very high	12 Å²	12	18.2 Å²	18.2	10%	0.099	10%	0.096	C	C	.	.	H	α-helix	trans	-66.3	-36.5	176.7	0	0	0	0	0	112.6	Y195 S494 T495 Q501 S502	Y195-A498 HydrophobicContact CD1-CB 4.11Å; Y195-A498 HydrophobicContact CD2-CB 3.67Å; Y195-A498 HydrophobicContact CE1-CB 4.17Å; Y195-A498 HydrophobicContact CE2-CB 3.73Å; Y195-A498 HydrophobicContact CG-CB 3.88Å; S494-A498 PolarHBondContact O-N 3.26Å; T495-A498 PolarHBondContact O-N 3.14Å; A498-Q501 PolarHBondContact O-N 3.22Å; A498-S502 WeakPolarHBondContact O-CB 3.41Å; A498-S502 PolarHBondContact O-N 2.93Å; A498-S502 PolarHBondContact O-OG 3.45Å
499	G	91.4	Very high	90.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61	-50.7	171.2	0	0	0	0	0	112.3	T495 C496 Q501 S502 L503	T495-G499 PolarHBondContact O-N 3.45Å; C496-G499 PolarHBondContact O-N 2.81Å; G499-Q501 VanDerWaalsContact C-N 3.32Å; G499-Q501 PolarHBondContact O-N 2.98Å; G499-S502 PolarHBondContact O-N 2.94Å; G499-L503 WeakPolarHBondContact O-CB 3.37Å; G499-L503 PolarHBondContact O-N 3.29Å
500	L	89.9	Confident	90.6	Very high	18 Å²	18	14.8 Å²	14.8	9%	0.094	8%	0.078	C	C	.	.	H	α-helix	trans	-60	-38.7	175	-75.8	168.6	0	0	0	112.8	M241 V245 V252 F259 C496 G497 T504	M241-L500 HydrophobicContact CB-CD2 3.87Å; M241-L500 HydrophobicContact CG-CD2 3.85Å; M241-L500 HydrophobicContact CG-CG 4.26Å; M241-L500 HydrophobicContact SD-CD2 4.41Å; M241-L500 HydrophobicContact SD-CG 4.3Å; V245-L500 HydrophobicContact CG2-CD2 4.18Å; V252-L500 HydrophobicContact CG1-CB 4.13Å; F259-L500 HydrophobicContact CZ-CD1 4.39Å; C496-L500 PolarHBondContact O-N 2.98Å; G497-L500 PolarHBondContact O-N 2.67Å; L500-T504 WeakPolarHBondContact O-CB 3.27Å; L500-T504 VanDerWaalsContact O-CG2 3.31Å; L500-T504 WeakPolarHBondContact O-CG2 3.41Å; L500-T504 PolarHBondContact O-N 3.1Å; L500-T504 PolarHBondContact O-OG1 3.44Å
501	Q	88.6	Confident	90.7	Very high	13 Å²	13	14.7 Å²	14.7	6%	0.061	8%	0.077	C	C	.	.	H	α-helix	trans	-65.9	-41.5	176.6	-178.8	159.7	20.3	0	0	112.1	N70 N110 G497 A498 G499 T504 G505	N70-Q501 VanDerWaalsContact ND2-CD 3.25Å; N70-Q501 PolarHBondContact ND2-NE2 3.02Å; N70-Q501 PolarHBondContact ND2-OE1 3.31Å; N70-Q501 PolarHBondContact O-NE2 3.4Å; N110-Q501 PolarHBondContact ND2-NE2 3.38Å; N110-Q501 PolarHBondContact ND2-OE1 2.92Å; N110-Q501 VanDerWaalsContact OD1-CD 3.25Å; N110-Q501 PolarHBondContact OD1-NE2 3.46Å; N110-Q501 PolarHBondContact OD1-OE1 3.17Å; G497-Q501 WeakPolarHBondContact O-CB 3.42Å; G497-Q501 PolarHBondContact O-N 3.14Å; A498-Q501 PolarHBondContact O-N 3.22Å; G499-Q501 VanDerWaalsContact C-N 3.32Å; G499-Q501 PolarHBondContact O-N 2.98Å; Q501-T504 WeakPolarHBondContact CA-OG1 3.48Å; Q501-T504 PolarHBondContact O-N 3.35Å; Q501-T504 PolarHBondContact O-OG1 3.34Å; Q501-G505 PolarHBondContact O-N 2.98Å
502	S	90.8	Very high	90.6	Very high	10 Å²	10	14.9 Å²	14.9	7%	0.07	8%	0.078	C	C	.	.	H	α-helix	trans	-66	-44	176.5	-56.7	0	0	0	0	111.3	A498 G499 T504 G505 A506	A498-S502 WeakPolarHBondContact O-CB 3.41Å; A498-S502 PolarHBondContact O-N 2.93Å; A498-S502 PolarHBondContact O-OG 3.45Å; G499-S502 PolarHBondContact O-N 2.94Å; S502-T504 VanDerWaalsContact C-N 3.31Å; S502-T504 PolarHBondContact O-N 3.35Å; S502-G505 PolarHBondContact O-N 3.2Å; S502-A506 PolarHBondContact O-N 3.42Å
503	L	91.1	Very high	90.5	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-70.3	-22.6	179.7	-167.6	63.1	0	0	0	113.6	L238 M241 A242 V245 G499 P507 L538 T541	L238-L503 HydrophobicContact CD1-CD1 4.37Å; L238-L503 HydrophobicContact CD1-CD2 4.36Å; M241-L503 HydrophobicContact CB-CD2 3.79Å; A242-L503 HydrophobicContact CB-CD2 4.16Å; V245-L503 HydrophobicContact CG2-CD2 4.33Å; V245-L503 HydrophobicContact CG2-CG 4.43Å; G499-L503 WeakPolarHBondContact O-CB 3.37Å; G499-L503 PolarHBondContact O-N 3.29Å; L503-P507 WeakPolarHBondContact O-CD 3.43Å; L503-P507 WeakPolarHBondContact O-CG 3.4Å; L503-L538 HydrophobicContact CD1-CD1 4.31Å; L503-L538 HydrophobicContact CG-CD1 4.24Å; L503-T541 HydrophobicContact CD1-CG2 4.06Å
504	T	89.2	Confident	90.4	Very high	4 Å²	4	8.7 Å²	8.7	3%	0.025	5%	0.052	C	C	.	.	H	α-helix	trans	-87.7	-32.1	171.3	48.5	0	0	0	0	112.9	L71 V245 V249 L500 Q501 S502 R508	L71-T504 HydrophobicContact CD2-CG2 3.82Å; L71-T504 WeakPolarHBondContact CD2-OG1 3.25Å; V245-T504 HydrophobicContact CB-CG2 4.2Å; V245-T504 HydrophobicContact CG1-CG2 3.73Å; V245-T504 HydrophobicContact CG2-CG2 3.46Å; V245-T504 VanDerWaalsContact CG2-CG2 3.46Å; V249-T504 HydrophobicContact CG1-CG2 4.13Å; V249-T504 HydrophobicContact CG2-CG2 4.12Å; L500-T504 WeakPolarHBondContact O-CB 3.27Å; L500-T504 VanDerWaalsContact O-CG2 3.31Å; L500-T504 WeakPolarHBondContact O-CG2 3.41Å; L500-T504 PolarHBondContact O-N 3.1Å; L500-T504 PolarHBondContact O-OG1 3.44Å; Q501-T504 WeakPolarHBondContact CA-OG1 3.48Å; Q501-T504 PolarHBondContact O-N 3.35Å; Q501-T504 PolarHBondContact O-OG1 3.34Å; S502-T504 VanDerWaalsContact C-N 3.31Å; S502-T504 PolarHBondContact O-N 3.35Å; T504-R508 WeakPolarHBondContact O-CG 3.42Å
505	G	88.8	Confident	90.3	Very high	10 Å²	10	12.7 Å²	12.7	10%	0.103	7%	0.065	C	C	.	.	H	α-helix	trans	-78.7	-47.3	-176.9	0	0	0	0	0	114.6	P72 Q501 S502 R508 L509	P72-G505 VanDerWaalsContact CG-CA 3.47Å; Q501-G505 PolarHBondContact O-N 2.98Å; S502-G505 PolarHBondContact O-N 3.2Å; G505-R508 PolarHBondContact O-N 3.03Å; G505-L509 PolarHBondContact O-N 3.47Å; G505-L509 VanDerWaalsContact O-N 3.08Å
506	A	91.9	Very high	90	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-58.3	-42.4	-178.1	0	0	0	0	0	113.5	Y185 T188 S502 R508 L509 L510 T541	Y185-A506 HydrophobicContact CD2-CB 3.83Å; Y185-A506 VanDerWaalsContact CD2-O 3.24Å; Y185-A506 WeakPolarHBondContact CD2-O 3.39Å; Y185-A506 HydrophobicContact CE2-CB 3.85Å; Y185-A506 WeakPolarHBondContact CE2-O 3.38Å; T188-A506 HydrophobicContact CG2-CB 4.02Å; S502-A506 PolarHBondContact O-N 3.42Å; A506-R508 PolarHBondContact O-N 2.83Å; A506-L509 PolarHBondContact O-N 3.07Å; A506-L510 PolarHBondContact O-N 3.41Å; A506-T541 HydrophobicContact CB-CG2 3.82Å
507	P	92.8	Very high	89.6	Confident	2 Å²	2	13.9 Å²	13.9	1%	0.013	7%	0.074	C	C	.	.	H	α-helix	trans	-63.9	-37.6	175.7	-24.8	36.5	0	0	0	114	L503 L510 Q511 P534 A537 L538 T541	L503-P507 WeakPolarHBondContact O-CD 3.43Å; L503-P507 WeakPolarHBondContact O-CG 3.4Å; P507-L510 PolarHBondContact O-N 2.86Å; P507-Q511 WeakPolarHBondContact O-CB 3.38Å; P507-Q511 PolarHBondContact O-N 3.24Å; P507-P534 HydrophobicContact CB-CG 3.66Å; P507-A537 HydrophobicContact CB-CB 4.06Å; P507-L538 HydrophobicContact CB-CB 4.31Å; P507-L538 HydrophobicContact CG-CB 4.21Å; P507-L538 HydrophobicContact CG-CD1 3.88Å; P507-T541 HydrophobicContact CG-CG2 4.16Å
508	R	89.6	Confident	89.3	Confident	43 Å²	43	14.8 Å²	14.8	16%	0.162	8%	0.078	C	C	.	.	H	α-helix	trans	-66.3	-39.3	178	-71.1	177.4	178.2	-153.8	-6.9	111.5	P72 T504 G505 A506 Q511 A512	P72-R508 WeakPolarHBondContact O-CD 3.22Å; P72-R508 PolarHBondContact O-NH1 3.17Å; T504-R508 WeakPolarHBondContact O-CG 3.42Å; G505-R508 PolarHBondContact O-N 3.03Å; A506-R508 PolarHBondContact O-N 2.83Å; R508-Q511 WeakPolarHBondContact O-CB 3.41Å; R508-Q511 PolarHBondContact O-N 3.49Å; R508-A512 PolarHBondContact O-N 3.01Å
509	L	90.6	Very high	89.1	Confident	16 Å²	16	14.4 Å²	14.4	8%	0.084	8%	0.075	C	C	.	.	H	α-helix	trans	-62.8	-47.5	174.1	176.1	62.7	0	0	0	111.8	Y165 F184 G505 A506 Q511 A512 I513	Y165-L509 HydrophobicContact CD2-CD1 4.18Å; Y165-L509 HydrophobicContact CG-CD1 4.03Å; F184-L509 HydrophobicContact CB-CD2 4.16Å; F184-L509 HydrophobicContact CD1-CD1 4.28Å; F184-L509 HydrophobicContact CD1-CD2 3.35Å; F184-L509 HydrophobicContact CD1-CG 4.46Å; F184-L509 HydrophobicContact CE1-CD2 4Å; F184-L509 HydrophobicContact CG-CD2 4.01Å; G505-L509 PolarHBondContact O-N 3.47Å; G505-L509 VanDerWaalsContact O-N 3.08Å; A506-L509 PolarHBondContact O-N 3.07Å; L509-Q511 VanDerWaalsContact C-N 3.3Å; L509-Q511 PolarHBondContact O-N 3.41Å; L509-A512 PolarHBondContact O-N 3.42Å; L509-I513 HydrophobicContact CD1-CD1 4.17Å; L509-I513 HydrophobicContact CG-CD1 4.05Å; L509-I513 WeakPolarHBondContact O-CG1 3.49Å; L509-I513 PolarHBondContact O-N 2.91Å
510	L	92.5	Very high	88.8	Confident	3 Å²	3	16.6 Å²	16.6	2%	0.016	9%	0.089	C	C	.	.	H	α-helix	trans	-64.9	-34	177.1	-177.3	62.1	0	0	0	112.3	Y185 A506 P507 S514 L522 F525 A537 L540	Y185-L510 HydrophobicContact CD2-CB 3.93Å; Y185-L510 HydrophobicContact CE1-CD2 4.19Å; Y185-L510 HydrophobicContact CE2-CB 3.89Å; Y185-L510 HydrophobicContact CE2-CD2 4.08Å; Y185-L510 HydrophobicContact CG-CB 4.47Å; A506-L510 PolarHBondContact O-N 3.41Å; P507-L510 PolarHBondContact O-N 2.86Å; L510-S514 WeakPolarHBondContact O-CB 3.43Å; L510-S514 PolarHBondContact O-N 3.42Å; L510-S514 PolarHBondContact O-OG 3.46Å; L510-L522 HydrophobicContact CD1-CD1 4.25Å; L510-F525 HydrophobicContact CD2-CB 4.08Å; L510-F525 HydrophobicContact CD2-CD2 4.45Å; L510-F525 HydrophobicContact CD2-CG 4.1Å; L510-F525 HydrophobicContact CG-CB 4.13Å; L510-A537 HydrophobicContact CB-CB 4.23Å; L510-A537 HydrophobicContact CD2-CB 3.95Å; L510-A537 HydrophobicContact CG-CB 4.28Å; L510-L540 HydrophobicContact CD2-CD2 3.72Å
511	Q	92	Very high	88.7	Confident	5 Å²	5	22.5 Å²	22.5	2%	0.023	11%	0.114	C	C	.	.	H	α-helix	trans	-64.6	-39.7	173.4	-170.3	-174.9	26.6	0	0	112.3	P507 R508 L509 S514 R515 G532 P534	P507-Q511 WeakPolarHBondContact O-CB 3.38Å; P507-Q511 PolarHBondContact O-N 3.24Å; R508-Q511 WeakPolarHBondContact O-CB 3.41Å; R508-Q511 PolarHBondContact O-N 3.49Å; L509-Q511 VanDerWaalsContact C-N 3.3Å; L509-Q511 PolarHBondContact O-N 3.41Å; Q511-S514 WeakPolarHBondContact CA-OG 3.29Å; Q511-S514 PolarHBondContact O-OG 3.15Å; Q511-R515 WeakPolarHBondContact O-CB 3.42Å; Q511-R515 WeakPolarHBondContact O-CG 3.44Å; Q511-R515 PolarHBondContact O-N 3.18Å; Q511-G532 PolarHBondContact NE2-O 3.38Å; Q511-G532 PolarHBondContact OE1-O 3.26Å; Q511-P534 HydrophobicContact CB-CB 4.11Å; Q511-P534 HydrophobicContact CB-CG 4.45Å; Q511-P534 HydrophobicContact CG-CB 4.18Å
512	A	88.4	Confident	88.8	Confident	4 Å²	4	22.7 Å²	22.7	3%	0.033	12%	0.116	C	C	.	.	H	α-helix	trans	-65.8	-48	175.1	0	0	0	0	0	111.9	Y165 Y166 R508 L509 S514 R515 D516	Y165-A512 HydrophobicContact CD1-CB 3.67Å; Y165-A512 HydrophobicContact CE1-CB 4.04Å; Y165-A512 HydrophobicContact CG-CB 4.48Å; Y166-A512 HydrophobicContact CE2-CB 3.68Å; R508-A512 PolarHBondContact O-N 3.01Å; L509-A512 PolarHBondContact O-N 3.42Å; A512-S514 VanDerWaalsContact C-N 3.29Å; A512-S514 PolarHBondContact O-N 2.96Å; A512-R515 PolarHBondContact O-N 2.66Å; A512-D516 PolarHBondContact O-N 3.09Å; A512-D516 VanDerWaalsContact O-N 3.08Å
513	I	90.5	Very high	88.6	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-55.2	-42.4	175.7	-72.3	165.1	0	0	0	111.9	Y165 G181 L182 L509 I518 L522	Y165-I513 HydrophobicContact CD2-CG1 3.88Å; Y165-I513 HydrophobicContact CE1-CG1 4.48Å; Y165-I513 HydrophobicContact CE2-CD1 4.45Å; Y165-I513 HydrophobicContact CE2-CG1 3.5Å; G181-I513 VanDerWaalsContact C-CD1 3.48Å; L182-I513 HydrophobicContact CD2-CD1 4.36Å; L182-I513 HydrophobicContact CD2-CG2 4.23Å; L182-I513 HydrophobicContact CG-CD1 4.5Å; L509-I513 HydrophobicContact CD1-CD1 4.17Å; L509-I513 HydrophobicContact CG-CD1 4.05Å; L509-I513 WeakPolarHBondContact O-CG1 3.49Å; L509-I513 PolarHBondContact O-N 2.91Å; I513-I518 HydrophobicContact CG2-CD1 4.12Å; I513-I518 HydrophobicContact CG2-CG1 4.46Å; I513-I518 WeakPolarHBondContact O-CG1 3.49Å; I513-L522 HydrophobicContact CG2-CD1 4.2Å
514	S	90.4	Very high	88.6	Confident	5 Å²	5	32.2 Å²	32.2	4%	0.035	17%	0.165	C	C	.	.	H	α-helix	trans	-75.8	-32.6	-178.7	48.1	0	0	0	0	113.4	L510 Q511 A512 G517 L522 G526	L510-S514 WeakPolarHBondContact O-CB 3.43Å; L510-S514 PolarHBondContact O-N 3.42Å; L510-S514 PolarHBondContact O-OG 3.46Å; Q511-S514 WeakPolarHBondContact CA-OG 3.29Å; Q511-S514 PolarHBondContact O-OG 3.15Å; A512-S514 VanDerWaalsContact C-N 3.29Å; A512-S514 PolarHBondContact O-N 2.96Å; S514-G517 PolarHBondContact O-N 2.95Å; S514-L522 WeakPolarHBondContact CB-O 3.32Å; S514-G526 WeakPolarHBondContact OG-CA 3.34Å; S514-G526 PolarHBondContact OG-N 3.21Å; S514-G526 VanDerWaalsContact OG-N 3.1Å
515	R	86.6	Confident	88.8	Confident	90 Å²	90	34 Å²	34	34%	0.34	17%	0.173	S	C	.	.	H	α-helix	trans	-72.3	-31.7	174.6	-77.8	-175	178.3	-164.6	-2.8	114	S75 E79 Q511 A512 G517 G526	S75-R515 WeakPolarHBondContact OG-CD 3.26Å; S75-R515 PolarHBondContact OG-NH1 2.7Å; E79-R515 IonicContact OE1-CZ 2.7Å; E79-R515 IonicContact OE1-NE 2.64Å; E79-R515 IonicContact OE1-NH1 3.71Å; E79-R515 PolarHBondContact OE1-NH1 3.49Å; E79-R515 IonicContact OE2-CZ 3.42Å; E79-R515 IonicContact OE2-NH1 3.29Å; E79-R515 PolarHBondContact OE2-NH1 3.12Å; Q511-R515 WeakPolarHBondContact O-CB 3.42Å; Q511-R515 WeakPolarHBondContact O-CG 3.44Å; Q511-R515 PolarHBondContact O-N 3.18Å; A512-R515 PolarHBondContact O-N 2.66Å; R515-G517 PolarHBondContact O-N 2.88Å; R515-G526 PolarHBondContact NE-O 2.79Å
516	D	84.6	Confident	88.7	Confident	34 Å²	34	34 Å²	34	18%	0.182	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-17.6	170.5	-89.2	-3.7	0	0	0	112.8	Y165 Y166 R170 A512 I518	Y165-D516 WeakPolarHBondContact CE1-OD2 3.5Å; Y165-D516 VanDerWaalsContact CZ-OD2 3.26Å; Y165-D516 PolarHBondContact OH-OD2 2.95Å; Y166-D516 WeakPolarHBondContact CE1-OD1 3.37Å; R170-D516 IonicContact NH2-OD1 3.1Å; A512-D516 PolarHBondContact O-N 3.09Å; A512-D516 VanDerWaalsContact O-N 3.08Å; D516-I518 HydrophobicContact CB-CG1 4.43Å; D516-I518 HydrophobicContact CB-CG2 4.42Å; D516-I518 PolarHBondContact O-N 2.89Å
517	G	82.7	Confident	88.5	Confident	18 Å²	18	39.5 Å²	39.5	19%	0.186	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	16	174.5	0	0	0	0	0	114.5	S514 R515 V519	S514-G517 PolarHBondContact O-N 2.95Å; R515-G517 PolarHBondContact O-N 2.88Å; G517-V519 VanDerWaalsContact C-N 3.26Å; G517-V519 PolarHBondContact O-N 3.24Å
518	I	84.4	Confident	88.1	Confident	22 Å²	22	40.4 Å²	40.4	11%	0.113	21%	0.207	C	C	.	.	S	Bend	trans	-64.9	-26.8	178.2	47	160.7	0	0	0	113.4	P174 I513 D516 I632	P174-I518 HydrophobicContact CB-CG2 3.96Å; I513-I518 HydrophobicContact CG2-CD1 4.12Å; I513-I518 HydrophobicContact CG2-CG1 4.46Å; I513-I518 WeakPolarHBondContact O-CG1 3.49Å; D516-I518 HydrophobicContact CB-CG1 4.43Å; D516-I518 HydrophobicContact CB-CG2 4.42Å; D516-I518 PolarHBondContact O-N 2.89Å; I518-I632 HydrophobicContact CB-CG2 4.36Å
519	V	85	Confident	87.8	Confident	5 Å²	5	41.5 Å²	41.5	3%	0.03	21%	0.214	C	C	.	.	S	Bend	trans	-129.6	101.3	-179.7	-178.2	0	0	0	0	109	G517 F521 L522 Y631 I632	G517-V519 VanDerWaalsContact C-N 3.26Å; G517-V519 PolarHBondContact O-N 3.24Å; V519-F521 VanDerWaalsContact C-N 3.33Å; V519-F521 HydrophobicContact CG1-CD1 3.59Å; V519-F521 HydrophobicContact CG1-CD2 4.17Å; V519-F521 HydrophobicContact CG1-CE1 3.23Å; V519-F521 HydrophobicContact CG1-CE2 3.85Å; V519-F521 HydrophobicContact CG1-CG 4.05Å; V519-F521 HydrophobicContact CG1-CZ 3.37Å; V519-F521 PolarHBondContact O-N 3.47Å; V519-L522 HydrophobicContact CB-CB 4.32Å; V519-L522 HydrophobicContact CB-CD1 3.91Å; V519-L522 HydrophobicContact CB-CG 4.12Å; V519-L522 HydrophobicContact CG1-CB 4.27Å; V519-L522 HydrophobicContact CG1-CD1 3.83Å; V519-L522 HydrophobicContact CG1-CG 3.71Å; V519-L522 HydrophobicContact CG2-CD1 4.39Å; V519-L522 PolarHBondContact O-N 2.66Å; V519-Y631 HydrophobicContact CG1-CE1 4.32Å; V519-I632 HydrophobicContact CG2-CG1 4.14Å
520	P	84.8	Confident	87.2	Confident	46 Å²	46	45.3 Å²	45.3	30%	0.299	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-57.6	-38.3	-170.7	-30	36.5	0	0	0	115	L522 Q523	P520-L522 PolarHBondContact O-N 2.92Å; P520-Q523 WeakPolarHBondContact O-CB 3.36Å; P520-Q523 VanDerWaalsContact O-CG 3.26Å; P520-Q523 WeakPolarHBondContact O-CG 3.46Å; P520-Q523 PolarHBondContact O-N 2.76Å
521	F	88.4	Confident	86.2	Confident	142 Å²	142	49.9 Å²	49.9	62%	0.623	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-70.7	-15.6	-179.7	66	-100.4	0	0	0	113.8	V519 Y631	V519-F521 VanDerWaalsContact C-N 3.33Å; V519-F521 HydrophobicContact CG1-CD1 3.59Å; V519-F521 HydrophobicContact CG1-CD2 4.17Å; V519-F521 HydrophobicContact CG1-CE1 3.23Å; V519-F521 HydrophobicContact CG1-CE2 3.85Å; V519-F521 HydrophobicContact CG1-CG 4.05Å; V519-F521 HydrophobicContact CG1-CZ 3.37Å; V519-F521 PolarHBondContact O-N 3.47Å; F521-Y631 HydrophobicContact CE1-CE1 4.28Å
522	L	89	Confident	85.5	Confident	17 Å²	17	50.2 Å²	50.2	9%	0.089	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-85.7	-6.7	175.6	-65.6	-179.3	0	0	0	113.3	L182 L510 I513 S514 V519 P520 V524 F525	L182-L522 HydrophobicContact CD2-CD1 3.83Å; L510-L522 HydrophobicContact CD1-CD1 4.25Å; I513-L522 HydrophobicContact CG2-CD1 4.2Å; S514-L522 WeakPolarHBondContact CB-O 3.32Å; V519-L522 HydrophobicContact CB-CB 4.32Å; V519-L522 HydrophobicContact CB-CD1 3.91Å; V519-L522 HydrophobicContact CB-CG 4.12Å; V519-L522 HydrophobicContact CG1-CB 4.27Å; V519-L522 HydrophobicContact CG1-CD1 3.83Å; V519-L522 HydrophobicContact CG1-CG 3.71Å; V519-L522 HydrophobicContact CG2-CD1 4.39Å; V519-L522 PolarHBondContact O-N 2.66Å; P520-L522 PolarHBondContact O-N 2.92Å; L522-V524 PolarHBondContact O-N 2.84Å; L522-V524 VanDerWaalsContact O-N 3.09Å; L522-F525 HydrophobicContact CB-CD2 4.28Å; L522-F525 HydrophobicContact CD2-CD2 3.76Å; L522-F525 HydrophobicContact CD2-CE2 3.8Å; L522-F525 WeakPolarHBondContact O-CB 3.32Å; L522-F525 WeakPolarHBondContact O-CD2 3.49Å; L522-F525 PolarHBondContact O-N 3.42Å
523	Q	87.8	Confident	85.4	Confident	116 Å²	116	51.2 Å²	51.2	54%	0.542	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-56.8	-29.8	-175.8	-73.4	176.6	-6.8	0	0	113.9	P520 F525 G526	P520-Q523 WeakPolarHBondContact O-CB 3.36Å; P520-Q523 VanDerWaalsContact O-CG 3.26Å; P520-Q523 WeakPolarHBondContact O-CG 3.46Å; P520-Q523 PolarHBondContact O-N 2.76Å; Q523-F525 PolarHBondContact O-N 2.85Å; Q523-G526 PolarHBondContact O-N 2.95Å
524	V	91.4	Very high	85.3	Confident	94 Å²	94	51.9 Å²	51.9	57%	0.57	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-57.4	-32.7	175.5	-177.3	0	0	0	0	112	L522 G526	L522-V524 PolarHBondContact O-N 2.84Å; L522-V524 VanDerWaalsContact O-N 3.09Å; V524-G526 VanDerWaalsContact C-N 3.29Å; V524-G526 PolarHBondContact O-N 3.39Å
525	F	92.4	Very high	85.3	Confident	43 Å²	43	53.1 Å²	53.1	19%	0.189	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-78.8	-8.1	-180	-55.3	-66.5	0	0	0	113.9	L510 L522 Q523 H527 W536 A537 L540	L510-F525 HydrophobicContact CD2-CB 4.08Å; L510-F525 HydrophobicContact CD2-CD2 4.45Å; L510-F525 HydrophobicContact CD2-CG 4.1Å; L510-F525 HydrophobicContact CG-CB 4.13Å; L522-F525 HydrophobicContact CB-CD2 4.28Å; L522-F525 HydrophobicContact CD2-CD2 3.76Å; L522-F525 HydrophobicContact CD2-CE2 3.8Å; L522-F525 WeakPolarHBondContact O-CB 3.32Å; L522-F525 WeakPolarHBondContact O-CD2 3.49Å; L522-F525 PolarHBondContact O-N 3.42Å; Q523-F525 PolarHBondContact O-N 2.85Å; F525-H527 VanDerWaalsContact C-N 3.25Å; F525-H527 PolarHBondContact O-N 2.63Å; F525-W536 HydrophobicContact CD1-CB 3.86Å; F525-W536 HydrophobicContact CE1-CB 4.4Å; F525-A537 HydrophobicContact CB-CB 4.26Å; F525-L540 HydrophobicContact CD1-CB 4.44Å; F525-L540 HydrophobicContact CD1-CD2 4.37Å; F525-L540 HydrophobicContact CE1-CB 4.02Å; F525-L540 HydrophobicContact CE1-CD2 3.94Å; F525-L540 HydrophobicContact CE1-CG 4.46Å; F525-L540 HydrophobicContact CE2-CD2 4.18Å; F525-L540 HydrophobicContact CZ-CD2 3.85Å
526	G	86.2	Confident	85.6	Confident	10 Å²	10	55 Å²	55	10%	0.103	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-76.2	-11	176.1	0	0	0	0	0	114.2	S514 R515 Q523 V524	S514-G526 WeakPolarHBondContact OG-CA 3.34Å; S514-G526 PolarHBondContact OG-N 3.21Å; S514-G526 VanDerWaalsContact OG-N 3.1Å; R515-G526 PolarHBondContact NE-O 2.79Å; Q523-G526 PolarHBondContact O-N 2.95Å; V524-G526 VanDerWaalsContact C-N 3.29Å; V524-G526 PolarHBondContact O-N 3.39Å
527	H	88.8	Confident	86	Confident	115 Å²	115	53.4 Å²	53.4	53%	0.532	29%	0.291	S	S	.	.			trans	-68.3	133.2	178.1	-170.7	90.2	0	0	0	111.7	F525 T535	F525-H527 VanDerWaalsContact C-N 3.25Å; F525-H527 PolarHBondContact O-N 2.63Å; H527-T535 PolarHBondContact O-N 3.39Å
528	G	83.3	Confident	86.6	Confident	20 Å²	20	53.1 Å²	53.1	21%	0.206	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-142.2	161.4	177.8	0	0	0	0	0	112.3	E533	G528-E533 CarbonylContact C-O 3.55Å; G528-E533 WeakPolarHBondContact CA-O 3.5Å
529	K	83.6	Confident	87	Confident	67 Å²	67	56.7 Å²	56.7	29%	0.291	30%	0.304	S	S	.	.			trans	-61.9	167.5	173.1	-61.6	-178	-178.1	179.7	0	110.3	F246 N531 G532 E533 T535	F246-K529 VanDerWaalsContact CE2-CE 3.5Å; F246-K529 VanDerWaalsContact CZ-NZ 3.31Å; F246-K529 PolarHBondContact O-NZ 2.94Å; K529-N531 PolarHBondContact O-N 2.55Å; K529-G532 PolarHBondContact O-N 3.23Å; K529-E533 PolarHBondContact N-O 3.26Å; K529-T535 HydrophobicContact CD-CG2 4.44Å; K529-T535 HydrophobicContact CG-CG2 3.79Å
530	A	77.7	Confident	87.5	Confident	96 Å²	96	59 Å²	59	79%	0.793	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-23.1	173	0	0	0	0	0	114.1	R76 G532	R76-A530 PolarHBondContact NH1-O 3.3Å; A530-G532 VanDerWaalsContact C-N 3.29Å; A530-G532 PolarHBondContact O-N 3.22Å
531	N	72.6	Confident	88	Confident	98 Å²	98	56.8 Å²	56.8	52%	0.524	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-5.2	174.8	-62.9	-10.7	0	0	0	114.1	K529 E533	K529-N531 PolarHBondContact O-N 2.55Å; N531-E533 VanDerWaalsContact C-N 3.32Å; N531-E533 HydrophobicContact CB-CG 4.32Å
532	G	78	Confident	88.4	Confident	13 Å²	13	50.8 Å²	50.8	13%	0.134	28%	0.278	C	S	.	.	S	Bend	trans	88.3	-15.9	-170.7	0	0	0	0	0	114.5	Q511 K529 A530	Q511-G532 PolarHBondContact NE2-O 3.38Å; Q511-G532 PolarHBondContact OE1-O 3.26Å; K529-G532 PolarHBondContact O-N 3.23Å; A530-G532 VanDerWaalsContact C-N 3.29Å; A530-G532 PolarHBondContact O-N 3.22Å
533	E	84.9	Confident	88.7	Confident	24 Å²	24	53.4 Å²	53.4	11%	0.112	30%	0.297	C	S	.	.			trans	-63.9	126.1	-176.5	-66.4	171.3	145.3	0	0	112.2	V249 G528 K529 N531	V249-E533 WeakPolarHBondContact CB-OE1 3.2Å; V249-E533 WeakPolarHBondContact CG2-OE1 3.46Å; V249-E533 PolarHBondContact N-OE1 3.38Å; G528-E533 CarbonylContact C-O 3.55Å; G528-E533 WeakPolarHBondContact CA-O 3.5Å; K529-E533 PolarHBondContact N-O 3.26Å; N531-E533 VanDerWaalsContact C-N 3.32Å; N531-E533 HydrophobicContact CB-CG 4.32Å
534	P	89.4	Confident	89.1	Confident	14 Å²	14	49.2 Å²	49.2	9%	0.091	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-77.1	139.2	-176.2	30	-34.3	0	0	0	112.6	P507 Q511 A537	P507-P534 HydrophobicContact CB-CG 3.66Å; Q511-P534 HydrophobicContact CB-CB 4.11Å; Q511-P534 HydrophobicContact CB-CG 4.45Å; Q511-P534 HydrophobicContact CG-CB 4.18Å; P534-A537 HydrophobicContact CB-CB 4Å
535	T	89.9	Confident	89.3	Confident	31 Å²	31	44.8 Å²	44.8	19%	0.19	25%	0.251	C	S	.	.	S	Bend	trans	-99.2	-60.4	-179.8	54.6	0	0	0	0	112.2	F246 H527 K529 A537 L538 L539	F246-T535 HydrophobicContact CE2-CG2 4.15Å; H527-T535 PolarHBondContact O-N 3.39Å; K529-T535 HydrophobicContact CD-CG2 4.44Å; K529-T535 HydrophobicContact CG-CG2 3.79Å; T535-A537 VanDerWaalsContact C-N 3.34Å; T535-A537 PolarHBondContact O-N 3.45Å; T535-L538 WeakPolarHBondContact O-CB 3.49Å; T535-L538 PolarHBondContact O-N 3.42Å; T535-L539 PolarHBondContact O-N 3.5Å; T535-L539 VanDerWaalsContact O-N 3.12Å
536	W	93	Very high	89.4	Confident	131 Å²	131	44.6 Å²	44.6	50%	0.496	25%	0.251	S	S	.	.	H	α-helix	trans	-65.9	-35.4	-177.9	-64.9	119.8	0	0	0	112.8	F525 L538 L539 L540	F525-W536 HydrophobicContact CD1-CB 3.86Å; F525-W536 HydrophobicContact CE1-CB 4.4Å; W536-L538 VanDerWaalsContact C-N 3.33Å; W536-L538 PolarHBondContact O-N 3.23Å; W536-L539 HydrophobicContact CE3-CD2 3.88Å; W536-L539 HydrophobicContact CZ3-CD2 3.86Å; W536-L539 PolarHBondContact O-N 3.33Å; W536-L540 PolarHBondContact O-N 2.96Å
537	A	93.6	Very high	89.8	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-67	-33.6	175.2	0	0	0	0	0	112.3	P507 L510 F525 P534 T535 T541	P507-A537 HydrophobicContact CB-CB 4.06Å; L510-A537 HydrophobicContact CB-CB 4.23Å; L510-A537 HydrophobicContact CD2-CB 3.95Å; L510-A537 HydrophobicContact CG-CB 4.28Å; F525-A537 HydrophobicContact CB-CB 4.26Å; P534-A537 HydrophobicContact CB-CB 4Å; T535-A537 VanDerWaalsContact C-N 3.34Å; T535-A537 PolarHBondContact O-N 3.45Å; A537-T541 WeakPolarHBondContact O-CB 3.24Å; A537-T541 PolarHBondContact O-N 3.39Å; A537-T541 PolarHBondContact O-OG1 2.89Å
538	L	93.9	Very high	90.1	Very high	11 Å²	11	43.4 Å²	43.4	6%	0.058	25%	0.245	C	C	.	.	H	α-helix	trans	-67.4	-43	174.3	178.4	64.7	0	0	0	110.7	V245 F246 L503 P507 T535 W536 T541 A542	V245-L538 HydrophobicContact CB-CD1 4.36Å; V245-L538 HydrophobicContact CB-CD2 4.45Å; V245-L538 HydrophobicContact CG1-CD1 3.71Å; V245-L538 HydrophobicContact CG1-CD2 3.93Å; V245-L538 HydrophobicContact CG1-CG 4.49Å; F246-L538 HydrophobicContact CB-CD2 3.88Å; F246-L538 HydrophobicContact CD2-CD2 4.26Å; L503-L538 HydrophobicContact CD1-CD1 4.31Å; L503-L538 HydrophobicContact CG-CD1 4.24Å; P507-L538 HydrophobicContact CB-CB 4.31Å; P507-L538 HydrophobicContact CG-CB 4.21Å; P507-L538 HydrophobicContact CG-CD1 3.88Å; T535-L538 WeakPolarHBondContact O-CB 3.49Å; T535-L538 PolarHBondContact O-N 3.42Å; W536-L538 VanDerWaalsContact C-N 3.33Å; W536-L538 PolarHBondContact O-N 3.23Å; L538-T541 PolarHBondContact O-N 3.31Å; L538-A542 WeakPolarHBondContact O-CB 3.29Å; L538-A542 PolarHBondContact O-N 3.42Å
539	L	94.2	Very high	90.6	Very high	97 Å²	97	42.4 Å²	42.4	51%	0.508	24%	0.235	S	C	.	.	H	α-helix	trans	-59.9	-48.8	175.8	-175.8	65.6	0	0	0	111.6	T535 W536 T541 A542 C543	T535-L539 PolarHBondContact O-N 3.5Å; T535-L539 VanDerWaalsContact O-N 3.12Å; W536-L539 HydrophobicContact CE3-CD2 3.88Å; W536-L539 HydrophobicContact CZ3-CD2 3.86Å; W536-L539 PolarHBondContact O-N 3.33Å; L539-T541 VanDerWaalsContact C-N 3.32Å; L539-T541 PolarHBondContact O-N 3.18Å; L539-A542 PolarHBondContact O-N 3.11Å; L539-C543 PolarHBondContact O-N 3.44Å; L539-C543 PolarHBondContact O-SG 2.92Å
540	L	94.9	Very high	91.1	Very high	53 Å²	53	43.5 Å²	43.5	28%	0.277	24%	0.244	S	C	.	.	H	α-helix	trans	-60	-43.2	177.2	-177.6	66.4	0	0	0	111.8	L510 F525 W536 A542 C543 I544	L510-L540 HydrophobicContact CD2-CD2 3.72Å; F525-L540 HydrophobicContact CD1-CB 4.44Å; F525-L540 HydrophobicContact CD1-CD2 4.37Å; F525-L540 HydrophobicContact CE1-CB 4.02Å; F525-L540 HydrophobicContact CE1-CD2 3.94Å; F525-L540 HydrophobicContact CE1-CG 4.46Å; F525-L540 HydrophobicContact CE2-CD2 4.18Å; F525-L540 HydrophobicContact CZ-CD2 3.85Å; W536-L540 PolarHBondContact O-N 2.96Å; L540-A542 PolarHBondContact O-N 3.47Å; L540-C543 PolarHBondContact O-N 2.87Å; L540-I544 HydrophobicContact CD1-CD1 4.19Å; L540-I544 HydrophobicContact CD2-CD1 4.49Å; L540-I544 HydrophobicContact CG-CD1 3.95Å; L540-I544 WeakPolarHBondContact O-CG1 3.49Å; L540-I544 PolarHBondContact O-N 3.43Å
541	T	95.4	Very high	91.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.4	-43.3	178.3	-55.9	0	0	0	0	111	Y185 T189 L503 A506 P507 A537 L538 L539 I544 C545	Y185-T541 WeakPolarHBondContact CE2-OG1 3.25Å; Y185-T541 PolarHBondContact OH-OG1 3.42Å; T189-T541 HydrophobicContact CG2-CG2 3.71Å; T189-T541 WeakPolarHBondContact CG2-O 3.33Å; L503-T541 HydrophobicContact CD1-CG2 4.06Å; A506-T541 HydrophobicContact CB-CG2 3.82Å; P507-T541 HydrophobicContact CG-CG2 4.16Å; A537-T541 WeakPolarHBondContact O-CB 3.24Å; A537-T541 PolarHBondContact O-N 3.39Å; A537-T541 PolarHBondContact O-OG1 2.89Å; L538-T541 PolarHBondContact O-N 3.31Å; L539-T541 VanDerWaalsContact C-N 3.32Å; L539-T541 PolarHBondContact O-N 3.18Å; T541-I544 PolarHBondContact O-N 3.42Å; T541-C545 WeakPolarHBondContact O-CB 3.27Å; T541-C545 PolarHBondContact O-N 2.96Å; T541-C545 PolarHBondContact O-SG 3.37Å
542	A	95.8	Very high	92.6	Very high	17 Å²	17	36.8 Å²	36.8	14%	0.14	20%	0.195	C	C	.	.	H	α-helix	trans	-61.6	-44	174	0	0	0	0	0	112	L238 L538 L539 L540 I544 C545 E546	L238-A542 WeakPolarHBondContact CD2-O 3.37Å; L538-A542 WeakPolarHBondContact O-CB 3.29Å; L538-A542 PolarHBondContact O-N 3.42Å; L539-A542 PolarHBondContact O-N 3.11Å; L540-A542 PolarHBondContact O-N 3.47Å; A542-I544 VanDerWaalsContact C-N 3.33Å; A542-I544 PolarHBondContact O-N 2.89Å; A542-C545 WeakPolarHBondContact O-CB 3.03Å; A542-C545 PolarHBondContact O-N 2.98Å; A542-E546 PolarHBondContact O-N 3.29Å
543	C	95.8	Very high	93.1	Very high	71 Å²	71	37.3 Å²	37.3	48%	0.48	20%	0.196	S	C	.	.	H	α-helix	trans	-61.5	-37.7	176.4	-65.9	0	0	0	0	113.2	L539 L540 I547	L539-C543 PolarHBondContact O-N 3.44Å; L539-C543 PolarHBondContact O-SG 2.92Å; L540-C543 PolarHBondContact O-N 2.87Å; C543-I547 PolarHBondContact O-N 2.94Å
544	I	95.6	Very high	93.2	Very high	29 Å²	29	36.4 Å²	36.4	15%	0.149	19%	0.192	C	C	.	.	H	α-helix	trans	-74.6	-37.8	176.6	-63.1	167.3	0	0	0	111	Y185 L186 T189 F190 L540 T541 A542 E546 I547 G548	Y185-I544 HydrophobicContact CE1-CD1 4.1Å; L186-I544 HydrophobicContact CD2-CD1 4.43Å; T189-I544 HydrophobicContact CG2-CB 3.67Å; T189-I544 HydrophobicContact CG2-CG2 3.55Å; F190-I544 HydrophobicContact CE2-CG2 4.25Å; F190-I544 HydrophobicContact CZ-CG2 4.29Å; L540-I544 HydrophobicContact CD1-CD1 4.19Å; L540-I544 HydrophobicContact CD2-CD1 4.49Å; L540-I544 HydrophobicContact CG-CD1 3.95Å; L540-I544 WeakPolarHBondContact O-CG1 3.49Å; L540-I544 PolarHBondContact O-N 3.43Å; T541-I544 PolarHBondContact O-N 3.42Å; A542-I544 VanDerWaalsContact C-N 3.33Å; A542-I544 PolarHBondContact O-N 2.89Å; I544-E546 VanDerWaalsContact C-N 3.28Å; I544-E546 PolarHBondContact O-N 2.84Å; I544-I547 WeakPolarHBondContact O-CB 3.43Å; I544-I547 PolarHBondContact O-N 3.01Å; I544-G548 PolarHBondContact O-N 3.17Å
545	C	95.1	Very high	93.2	Very high	1 Å²	1	36 Å²	36	1%	0.007	19%	0.189	C	C	.	.	H	α-helix	trans	-57.9	-41.4	170.9	-75.1	0	0	0	0	111.9	T189 A193 L238 T541 A542 I547 G548 I549	T189-C545 PolarHBondContact O-SG 3.13Å; A193-C545 WeakPolarHBondContact CB-O 3.27Å; L238-C545 HydrophobicContact CD1-CB 3.72Å; L238-C545 HydrophobicContact CD2-CB 3.99Å; T541-C545 WeakPolarHBondContact O-CB 3.27Å; T541-C545 PolarHBondContact O-N 2.96Å; T541-C545 PolarHBondContact O-SG 3.37Å; A542-C545 WeakPolarHBondContact O-CB 3.03Å; A542-C545 PolarHBondContact O-N 2.98Å; C545-I547 VanDerWaalsContact C-N 3.32Å; C545-I547 PolarHBondContact O-N 3.48Å; C545-G548 WeakPolarHBondContact O-CA 3.33Å; C545-G548 PolarHBondContact O-N 2.89Å; C545-I549 PolarHBondContact O-N 3.47Å
546	E	95.9	Very high	93.2	Very high	39 Å²	39	39.9 Å²	39.9	18%	0.182	21%	0.205	C	C	.	.	H	α-helix	trans	-61.4	-39.4	178.8	-172.2	62.8	-164.9	0	0	111.7	T235 L238 A542 I544 G548 I549 L550	T235-E546 WeakPolarHBondContact CB-OE1 3.48Å; T235-E546 VanDerWaalsContact CG2-OE1 3.29Å; T235-E546 WeakPolarHBondContact CG2-OE1 3.46Å; T235-E546 PolarHBondContact OG1-OE1 3.46Å; L238-E546 HydrophobicContact CD2-CB 4.01Å; L238-E546 VanDerWaalsContact CD2-OE2 3.32Å; L238-E546 WeakPolarHBondContact CD2-OE2 3.48Å; A542-E546 PolarHBondContact O-N 3.29Å; I544-E546 VanDerWaalsContact C-N 3.28Å; I544-E546 PolarHBondContact O-N 2.84Å; E546-G548 VanDerWaalsContact C-N 3.28Å; E546-G548 PolarHBondContact O-N 3.43Å; E546-I549 PolarHBondContact O-N 3.42Å; E546-I549 VanDerWaalsContact O-N 3.09Å; E546-L550 HydrophobicContact CG-CD1 4.4Å; E546-L550 WeakPolarHBondContact O-CG 3.33Å; E546-L550 PolarHBondContact O-N 2.77Å
547	I	94.9	Very high	93.1	Very high	99 Å²	99	33.6 Å²	33.6	51%	0.508	18%	0.181	S	C	.	.	H	α-helix	trans	-58.1	-42.5	173	-62.6	168.4	0	0	0	110.7	C543 I544 C545 L550	C543-I547 PolarHBondContact O-N 2.94Å; I544-I547 WeakPolarHBondContact O-CB 3.43Å; I544-I547 PolarHBondContact O-N 3.01Å; C545-I547 VanDerWaalsContact C-N 3.32Å; C545-I547 PolarHBondContact O-N 3.48Å; I547-L550 PolarHBondContact O-N 3.32Å
548	G	93.4	Very high	92.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.5	-35.5	175.1	0	0	0	0	0	113.6	I544 C545 E546 V557	I544-G548 PolarHBondContact O-N 3.17Å; C545-G548 WeakPolarHBondContact O-CA 3.33Å; C545-G548 PolarHBondContact O-N 2.89Å; E546-G548 VanDerWaalsContact C-N 3.28Å; E546-G548 PolarHBondContact O-N 3.43Å; G548-V557 WeakPolarHBondContact O-CG2 3.44Å
549	I	95.1	Very high	92.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-72.2	-35.5	177.8	-73.9	168.7	0	0	0	112	A193 I196 L197 L238 C545 E546 I551 A552	A193-I549 HydrophobicContact CB-CG1 4.25Å; I196-I549 HydrophobicContact CB-CD1 4.25Å; I196-I549 HydrophobicContact CD1-CD1 4.24Å; I196-I549 HydrophobicContact CG2-CD1 3.76Å; I196-I549 HydrophobicContact CG2-CG1 4.37Å; L197-I549 HydrophobicContact CG-CG1 4.49Å; L238-I549 HydrophobicContact CB-CD1 3.75Å; L238-I549 HydrophobicContact CD2-CD1 4.01Å; L238-I549 HydrophobicContact CG-CD1 4.28Å; C545-I549 PolarHBondContact O-N 3.47Å; E546-I549 PolarHBondContact O-N 3.42Å; E546-I549 VanDerWaalsContact O-N 3.09Å; I549-I551 PolarHBondContact O-N 3.25Å; I549-A552 VanDerWaalsContact O-CA 3.31Å; I549-A552 WeakPolarHBondContact O-CA 3.46Å; I549-A552 PolarHBondContact O-N 3.18Å
550	L	94.7	Very high	92.4	Very high	89 Å²	89	32.5 Å²	32.5	47%	0.466	18%	0.177	S	C	.	.	H	α-helix	trans	-65.2	-25.6	177.9	-71.5	171.4	0	0	0	113.3	R231 E546 I547 A552	R231-L550 PolarHBondContact NE-O 3.11Å; R231-L550 PolarHBondContact NH2-O 3.09Å; E546-L550 HydrophobicContact CG-CD1 4.4Å; E546-L550 WeakPolarHBondContact O-CG 3.33Å; E546-L550 PolarHBondContact O-N 2.77Å; I547-L550 PolarHBondContact O-N 3.32Å; L550-A552 PolarHBondContact O-N 2.93Å
551	I	92.7	Very high	92.1	Very high	48 Å²	48	30.1 Å²	30.1	25%	0.246	16%	0.164	C	C	.	.	H	α-helix	trans	-62.4	-32.5	169.5	-62.8	169.5	0	0	0	110.6	I549 S553 E556 V557 I560	I549-I551 PolarHBondContact O-N 3.25Å; I551-S553 PolarHBondContact O-N 3.2Å; I551-E556 HydrophobicContact CG2-CB 3.94Å; I551-E556 WeakPolarHBondContact CG2-OE2 3.46Å; I551-V557 HydrophobicContact CB-CG2 4.07Å; I551-V557 HydrophobicContact CD1-CG2 4.2Å; I551-V557 HydrophobicContact CG2-CG2 4Å; I551-I560 HydrophobicContact CD1-CD1 4.11Å
552	A	88.5	Confident	91.9	Very high	5 Å²	5	30.1 Å²	30.1	4%	0.041	16%	0.164	C	C	.	.			trans	65	-20.9	173.5	0	0	0	0	0	117.1	L227 M230 R231 I549 L550	L227-A552 HydrophobicContact CB-CB 4.25Å; L227-A552 HydrophobicContact CD2-CB 3.89Å; M230-A552 HydrophobicContact CB-CB 4.22Å; R231-A552 HydrophobicContact CG-CB 3.7Å; I549-A552 VanDerWaalsContact O-CA 3.31Å; I549-A552 WeakPolarHBondContact O-CA 3.46Å; I549-A552 PolarHBondContact O-N 3.18Å; L550-A552 PolarHBondContact O-N 2.93Å
553	S	88	Confident	91.7	Very high	24 Å²	24	29.9 Å²	29.9	17%	0.168	16%	0.161	C	C	.	.			trans	-91.7	117.8	174.1	-179.6	0	0	0	0	111.7	I551 D555 E556 V557	I551-S553 PolarHBondContact O-N 3.2Å; S553-D555 PolarHBondContact O-N 3.25Å; S553-E556 PolarHBondContact O-N 3.04Å; S553-V557 WeakPolarHBondContact O-CG2 3.42Å; S553-V557 PolarHBondContact O-N 3.13Å
554	L	87.1	Confident	91.5	Very high	5 Å²	5	28.5 Å²	28.5	3%	0.026	15%	0.147	C	C	.	.	H	α-helix	trans	-58.1	-37.3	174.2	-175.9	152.6	0	0	0	111.8	V114 I115 M194 E556 V557 A558	V114-L554 HydrophobicContact CG1-CD1 4.41Å; I115-L554 HydrophobicContact CD1-CD2 4.21Å; M194-L554 HydrophobicContact CE-CD2 4.24Å; M194-L554 HydrophobicContact CG-CG 4.36Å; L554-E556 VanDerWaalsContact C-N 3.33Å; L554-E556 PolarHBondContact O-N 3.34Å; L554-V557 PolarHBondContact O-N 3.44Å; L554-A558 PolarHBondContact O-N 2.84Å; L554-A558 VanDerWaalsContact O-N 3.08Å
555	D	89.9	Confident	91.3	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.027	14%	0.141	C	C	.	.	H	α-helix	trans	-77.2	-19.6	-172.6	-53.4	-35.4	0	0	0	112.6	R119 M396 I406 K465 S553 P559	R119-D555 IonicContact CZ-OD1 2.78Å; R119-D555 IonicContact NE-OD1 3.66Å; R119-D555 PolarHBondContact NE-OD1 3.49Å; R119-D555 IonicContact NE-OD2 3.41Å; R119-D555 IonicContact NH2-OD1 3.22Å; R119-D555 PolarHBondContact NH2-OD1 2.91Å; R119-D555 IonicContact NH2-OD2 2.71Å; M396-D555 HydrophobicContact CE-CB 3.97Å; I406-D555 HydrophobicContact CD1-CB 4.11Å; I406-D555 HydrophobicContact CG1-CB 4.5Å; K465-D555 WeakPolarHBondContact CE-OD2 3.35Å; K465-D555 IonicContact NZ-OD2 3.8Å; K465-D555 PolarHBondContact NZ-OD2 3.49Å; S553-D555 PolarHBondContact O-N 3.25Å; D555-P559 WeakPolarHBondContact O-CD 3.46Å
556	E	89.2	Confident	91.2	Very high	113 Å²	113	27.5 Å²	27.5	53%	0.528	14%	0.141	S	C	.	.	H	α-helix	trans	-85.9	-32.7	171.2	-66.8	-177.5	-175.9	0	0	112.3	I551 S553 L554	I551-E556 HydrophobicContact CG2-CB 3.94Å; I551-E556 WeakPolarHBondContact CG2-OE2 3.46Å; S553-E556 PolarHBondContact O-N 3.04Å; L554-E556 VanDerWaalsContact C-N 3.33Å; L554-E556 PolarHBondContact O-N 3.34Å
557	V	90.9	Very high	91.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-73.1	-35.6	178	175.8	0	0	0	0	111.9	M194 L197 G548 I551 S553 L554 I560 L561	M194-V557 HydrophobicContact CB-CG1 4.12Å; L197-V557 HydrophobicContact CD1-CG2 4.08Å; G548-V557 WeakPolarHBondContact O-CG2 3.44Å; I551-V557 HydrophobicContact CB-CG2 4.07Å; I551-V557 HydrophobicContact CD1-CG2 4.2Å; I551-V557 HydrophobicContact CG2-CG2 4Å; S553-V557 WeakPolarHBondContact O-CG2 3.42Å; S553-V557 PolarHBondContact O-N 3.13Å; L554-V557 PolarHBondContact O-N 3.44Å; V557-I560 PolarHBondContact O-N 2.84Å; V557-L561 PolarHBondContact O-N 3.48Å; V557-L561 VanDerWaalsContact O-N 3.07Å
558	A	88.9	Confident	91	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.6	-44.2	-177.8	0	0	0	0	0	114.6	M194 G405 P409 L554 L561 S562	M194-A558 HydrophobicContact CE-CB 4.02Å; M194-A558 HydrophobicContact SD-CB 4.26Å; G405-A558 CarbonylContact O-C 3.28Å; P409-A558 HydrophobicContact CG-CB 3.99Å; L554-A558 PolarHBondContact O-N 2.84Å; L554-A558 VanDerWaalsContact O-N 3.08Å; A558-L561 PolarHBondContact O-N 3.18Å; A558-S562 WeakPolarHBondContact O-CB 3.34Å; A558-S562 PolarHBondContact O-N 3.25Å; A558-S562 PolarHBondContact O-OG 3.31Å
559	P	88.4	Confident	91	Very high	29 Å²	29	21.1 Å²	21.1	19%	0.188	11%	0.109	C	C	.	.	H	α-helix	trans	-62.5	-37.8	172	-27.2	35.8	0	0	0	114.3	D555 S562 M563	D555-P559 WeakPolarHBondContact O-CD 3.46Å; P559-S562 WeakPolarHBondContact O-CB 3.33Å; P559-S562 PolarHBondContact O-N 3.4Å; P559-M563 WeakPolarHBondContact O-CG 3.5Å; P559-M563 PolarHBondContact O-N 3.12Å; P559-M563 VanDerWaalsContact O-N 3.17Å
560	I	89.1	Confident	91	Very high	56 Å²	56	21.7 Å²	21.7	29%	0.287	11%	0.112	S	C	.	.	H	α-helix	trans	-62.7	-47.2	178.3	-62.8	171.1	0	0	0	110	F190 I551 V557 S562 M563 F564	F190-I560 HydrophobicContact CD1-CG2 4.5Å; F190-I560 HydrophobicContact CE1-CG2 4.48Å; F190-I560 HydrophobicContact CZ-CG2 4.49Å; I551-I560 HydrophobicContact CD1-CD1 4.11Å; V557-I560 PolarHBondContact O-N 2.84Å; I560-S562 VanDerWaalsContact C-N 3.32Å; I560-S562 PolarHBondContact O-N 3.44Å; I560-M563 PolarHBondContact O-N 3Å; I560-F564 HydrophobicContact CG2-CD2 4.47Å; I560-F564 HydrophobicContact CG2-CE2 3.93Å; I560-F564 WeakPolarHBondContact O-CD2 3.49Å
561	L	90.3	Very high	90.9	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.01	10%	0.095	C	C	.	.	H	α-helix	trans	-58.7	-43.4	174.1	172	143.9	0	0	0	112.3	F190 A191 M194 P409 V557 A558 M563 F564 F565	F190-L561 HydrophobicContact CB-CB 4.29Å; F190-L561 HydrophobicContact CB-CD1 4.48Å; A191-L561 HydrophobicContact CB-CD1 3.49Å; A191-L561 VanDerWaalsContact CB-CD1 3.49Å; A191-L561 VanDerWaalsContact N-CD1 3.33Å; M194-L561 HydrophobicContact SD-CD1 4.28Å; P409-L561 HydrophobicContact CB-CD2 3.64Å; P409-L561 HydrophobicContact CG-CD2 3.61Å; V557-L561 PolarHBondContact O-N 3.48Å; V557-L561 VanDerWaalsContact O-N 3.07Å; A558-L561 PolarHBondContact O-N 3.18Å; L561-M563 VanDerWaalsContact C-N 3.27Å; L561-M563 PolarHBondContact O-N 3.42Å; L561-F564 PolarHBondContact O-N 3.09Å; L561-F565 HydrophobicContact CD1-CD2 4.46Å; L561-F565 HydrophobicContact CD1-CE2 3.95Å; L561-F565 HydrophobicContact CD2-CD2 3.62Å; L561-F565 HydrophobicContact CD2-CE2 3.86Å; L561-F565 HydrophobicContact CG-CD2 3.71Å; L561-F565 HydrophobicContact CG-CE2 3.68Å; L561-F565 WeakPolarHBondContact O-CD2 3.49Å; L561-F565 PolarHBondContact O-N 2.93Å
562	S	90.8	Very high	91	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-60.4	-36.1	-179.3	-66.9	0	0	0	0	112.5	G405 P409 A558 P559 I560 F565 L566	G405-S562 PolarHBondContact O-OG 2.68Å; G405-S562 VanDerWaalsContact O-OG 3.12Å; P409-S562 WeakPolarHBondContact CD-OG 3.49Å; A558-S562 WeakPolarHBondContact O-CB 3.34Å; A558-S562 PolarHBondContact O-N 3.25Å; A558-S562 PolarHBondContact O-OG 3.31Å; P559-S562 WeakPolarHBondContact O-CB 3.33Å; P559-S562 PolarHBondContact O-N 3.4Å; I560-S562 VanDerWaalsContact C-N 3.32Å; I560-S562 PolarHBondContact O-N 3.44Å; S562-F565 PolarHBondContact O-N 2.82Å; S562-L566 VanDerWaalsContact O-CB 3.27Å; S562-L566 WeakPolarHBondContact O-CB 3.31Å; S562-L566 VanDerWaalsContact O-CG 3.27Å; S562-L566 WeakPolarHBondContact O-CG 3.32Å; S562-L566 PolarHBondContact O-N 3.26Å
563	M	90.7	Very high	91.3	Very high	13 Å²	13	16.2 Å²	16.2	6%	0.064	8%	0.082	C	C	.	.	H	α-helix	trans	-60.2	-46.3	174.8	-67	-66	155.3	0	0	112.5	P559 I560 L561 M567 M610 C613 A618	P559-M563 WeakPolarHBondContact O-CG 3.5Å; P559-M563 PolarHBondContact O-N 3.12Å; P559-M563 VanDerWaalsContact O-N 3.17Å; I560-M563 PolarHBondContact O-N 3Å; L561-M563 VanDerWaalsContact C-N 3.27Å; L561-M563 PolarHBondContact O-N 3.42Å; M563-M567 VanDerWaalsContact O-CB 3.27Å; M563-M567 WeakPolarHBondContact O-CB 3.5Å; M563-M567 PolarHBondContact O-N 3.18Å; M563-M610 WeakPolarHBondContact CE-O 3.43Å; M563-M610 HydrophobicContact SD-CB 4.23Å; M563-M610 HydrophobicContact SD-CG 4.38Å; M563-C613 HydrophobicContact CE-CB 3.36Å; M563-A618 HydrophobicContact SD-CB 4.49Å
564	F	92.1	Very high	91.6	Very high	42 Å²	42	17.7 Å²	17.7	18%	0.184	9%	0.088	C	C	.	.	H	α-helix	trans	-66.5	-39.8	-179.1	-68.5	-62.8	0	0	0	112.5	L186 F190 I560 L561 C568	L186-F564 HydrophobicContact CB-CD1 3.92Å; L186-F564 HydrophobicContact CB-CD2 4.31Å; L186-F564 HydrophobicContact CB-CE1 3.98Å; L186-F564 HydrophobicContact CB-CE2 4.36Å; L186-F564 HydrophobicContact CB-CG 4.1Å; L186-F564 HydrophobicContact CB-CZ 4.2Å; L186-F564 HydrophobicContact CD1-CD1 4.22Å; L186-F564 HydrophobicContact CD1-CE1 3.68Å; L186-F564 HydrophobicContact CD1-CZ 4.15Å; L186-F564 HydrophobicContact CG-CE1 4.48Å; F190-F564 HydrophobicContact CD2-CD2 4.01Å; F190-F564 AromaticContact CD2-CE2 3.66Å; F190-F564 HydrophobicContact CD2-CE2 3.66Å; F190-F564 HydrophobicContact CE2-CD2 4.44Å; F190-F564 AromaticContact CE2-CE2 3.65Å; F190-F564 HydrophobicContact CE2-CE2 3.65Å; F190-F564 HydrophobicContact CE2-CZ 4.3Å; I560-F564 HydrophobicContact CG2-CD2 4.47Å; I560-F564 HydrophobicContact CG2-CE2 3.93Å; I560-F564 WeakPolarHBondContact O-CD2 3.49Å; L561-F564 PolarHBondContact O-N 3.09Å; F564-C568 WeakPolarHBondContact O-CB 3.41Å; F564-C568 PolarHBondContact O-N 3.31Å
565	F	92.1	Very high	91.8	Very high	7 Å²	7	17.5 Å²	17.5	3%	0.031	9%	0.086	C	C	.	.	H	α-helix	trans	-71.5	-43.4	176.3	-78.3	-67.4	0	0	0	113	F184 G187 F408 T412 L561 S562 M567 C568 Y569	F184-F565 HydrophobicContact CD2-CD1 4.39Å; F184-F565 AromaticContact CD2-CE1 3.75Å; F184-F565 HydrophobicContact CD2-CE1 3.75Å; F184-F565 AromaticContact CE2-CE1 3.83Å; F184-F565 HydrophobicContact CE2-CE1 3.83Å; G187-F565 WeakPolarHBondContact O-CE2 3.39Å; F408-F565 HydrophobicContact CE1-CB 4Å; T412-F565 HydrophobicContact CG2-CB 3.93Å; T412-F565 HydrophobicContact CG2-CD1 4.44Å; T412-F565 HydrophobicContact CG2-CD2 3.89Å; T412-F565 HydrophobicContact CG2-CG 3.84Å; L561-F565 HydrophobicContact CD1-CD2 4.46Å; L561-F565 HydrophobicContact CD1-CE2 3.95Å; L561-F565 HydrophobicContact CD2-CD2 3.62Å; L561-F565 HydrophobicContact CD2-CE2 3.86Å; L561-F565 HydrophobicContact CG-CD2 3.71Å; L561-F565 HydrophobicContact CG-CE2 3.68Å; L561-F565 WeakPolarHBondContact O-CD2 3.49Å; L561-F565 PolarHBondContact O-N 2.93Å; S562-F565 PolarHBondContact O-N 2.82Å; F565-M567 VanDerWaalsContact C-N 3.3Å; F565-M567 PolarHBondContact O-N 3.49Å; F565-C568 WeakPolarHBondContact O-CB 3.26Å; F565-C568 PolarHBondContact O-N 3.05Å; F565-Y569 HydrophobicContact CB-CE2 4.35Å; F565-Y569 HydrophobicContact CD1-CE1 4.39Å; F565-Y569 WeakPolarHBondContact O-CD2 3.45Å; F565-Y569 PolarHBondContact O-N 2.81Å
566	L	93.5	Very high	92	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-59.6	-41	174.9	-77.6	167.4	0	0	0	111.7	F408 S562 Y569 M570 C606 L609 M610	F408-L566 HydrophobicContact CD1-CG 4.2Å; F408-L566 HydrophobicContact CD2-CD2 4.21Å; F408-L566 HydrophobicContact CE1-CD2 4Å; F408-L566 HydrophobicContact CE1-CG 3.69Å; F408-L566 HydrophobicContact CE2-CD2 3.49Å; F408-L566 VanDerWaalsContact CE2-CD2 3.49Å; F408-L566 HydrophobicContact CE2-CG 4.07Å; F408-L566 HydrophobicContact CZ-CD2 3.37Å; F408-L566 HydrophobicContact CZ-CG 3.62Å; S562-L566 VanDerWaalsContact O-CB 3.27Å; S562-L566 WeakPolarHBondContact O-CB 3.31Å; S562-L566 VanDerWaalsContact O-CG 3.27Å; S562-L566 WeakPolarHBondContact O-CG 3.32Å; S562-L566 PolarHBondContact O-N 3.26Å; L566-Y569 PolarHBondContact O-N 3.13Å; L566-M570 VanDerWaalsContact O-CB 3.28Å; L566-M570 WeakPolarHBondContact O-CB 3.39Å; L566-M570 PolarHBondContact O-N 3.41Å; L566-C606 HydrophobicContact CD2-CB 4.48Å; L566-L609 HydrophobicContact CD1-CB 3.88Å; L566-L609 HydrophobicContact CD2-CB 3.8Å; L566-L609 HydrophobicContact CD2-CD1 3.96Å; L566-M610 HydrophobicContact CB-CG 3.47Å; L566-M610 VanDerWaalsContact CB-CG 3.47Å; L566-M610 HydrophobicContact CB-SD 4.05Å; L566-M610 HydrophobicContact CD1-CG 3.86Å; L566-M610 HydrophobicContact CG-CG 4.24Å
567	M	92.3	Very high	92.2	Very high	4 Å²	4	12 Å²	12	2%	0.02	6%	0.061	C	C	.	.	H	α-helix	trans	-65.8	-43.6	176.1	-171.8	-161.9	-60.6	0	0	112.2	C183 M563 F565 Y569 M570 F571 M610 A621 A625	C183-M567 HydrophobicContact CB-SD 4.46Å; C183-M567 PolarHBondContact SG-SD 3.17Å; M563-M567 VanDerWaalsContact O-CB 3.27Å; M563-M567 WeakPolarHBondContact O-CB 3.5Å; M563-M567 PolarHBondContact O-N 3.18Å; F565-M567 VanDerWaalsContact C-N 3.3Å; F565-M567 PolarHBondContact O-N 3.49Å; M567-Y569 VanDerWaalsContact C-N 3.34Å; M567-Y569 PolarHBondContact O-N 3.05Å; M567-M570 HydrophobicContact CG-CE 4.34Å; M567-M570 WeakPolarHBondContact O-CB 3.46Å; M567-M570 PolarHBondContact O-N 3.27Å; M567-F571 HydrophobicContact CG-CD2 3.91Å; M567-F571 HydrophobicContact CG-CE2 3.47Å; M567-F571 VanDerWaalsContact CG-CE2 3.47Å; M567-F571 HydrophobicContact CG-CZ 4.28Å; M567-F571 VanDerWaalsContact O-CD2 3.28Å; M567-F571 WeakPolarHBondContact O-CD2 3.43Å; M567-F571 PolarHBondContact O-N 3.33Å; M567-F571 HydrophobicContact SD-CE2 3.73Å; M567-M610 HydrophobicContact CB-SD 4.08Å; M567-A621 HydrophobicContact CE-CB 3.26Å; M567-A621 VanDerWaalsContact CE-O 3.3Å; M567-A621 WeakPolarHBondContact CE-O 3.32Å; M567-A625 HydrophobicContact CE-CB 4.41Å; M567-A625 HydrophobicContact SD-CB 3.48Å; M567-A625 WeakPolarHBondContact SD-CB 3.31Å
568	C	92.6	Very high	92.3	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-56.2	-48.3	174.1	176.3	0	0	0	0	111.3	C183 M415 F564 F565 F571 V572	C183-C568 HydrophobicContact CB-CB 4.31Å; M415-C568 VanDerWaalsContact CE-SG 3.53Å; F564-C568 WeakPolarHBondContact O-CB 3.41Å; F564-C568 PolarHBondContact O-N 3.31Å; F565-C568 WeakPolarHBondContact O-CB 3.26Å; F565-C568 PolarHBondContact O-N 3.05Å; C568-F571 PolarHBondContact O-N 2.75Å; C568-V572 WeakPolarHBondContact O-CG2 3.49Å; C568-V572 PolarHBondContact O-N 3.2Å; C568-V572 VanDerWaalsContact O-N 3.13Å
569	Y	94.4	Very high	92.4	Very high	1 Å²	1	15 Å²	15	0%	0.004	8%	0.079	C	C	.	.	H	α-helix	trans	-68.3	-36.8	179	-60.3	-14.2	0	0	0	112.4	T143 T146 F408 I414 M415 F565 L566 M567 V572 N573	T143-Y569 HydrophobicContact CG2-CE2 4.11Å; T146-Y569 HydrophobicContact CG2-CD1 3.91Å; T146-Y569 HydrophobicContact CG2-CG 3.84Å; F408-Y569 HydrophobicContact CE1-CE2 4.5Å; F408-Y569 HydrophobicContact CZ-CD2 4.11Å; F408-Y569 HydrophobicContact CZ-CE2 4.07Å; I414-Y569 HydrophobicContact CD1-CE1 4.2Å; I414-Y569 HydrophobicContact CG1-CE1 4.16Å; M415-Y569 HydrophobicContact CE-CD1 4.28Å; M415-Y569 HydrophobicContact CE-CE1 4.24Å; F565-Y569 HydrophobicContact CB-CE2 4.35Å; F565-Y569 HydrophobicContact CD1-CE1 4.39Å; F565-Y569 WeakPolarHBondContact O-CD2 3.45Å; F565-Y569 PolarHBondContact O-N 2.81Å; L566-Y569 PolarHBondContact O-N 3.13Å; M567-Y569 VanDerWaalsContact C-N 3.34Å; M567-Y569 PolarHBondContact O-N 3.05Å; Y569-V572 PolarHBondContact O-N 3.43Å; Y569-N573 WeakPolarHBondContact O-CB 3.44Å; Y569-N573 VanDerWaalsContact O-CG 3.32Å; Y569-N573 PolarHBondContact O-N 3.48Å; Y569-N573 PolarHBondContact O-ND2 3.44Å
570	M	94.3	Very high	92.5	Very high	12 Å²	12	15.7 Å²	15.7	6%	0.059	8%	0.082	C	C	.	.	H	α-helix	trans	-58.1	-48	172.9	-176.5	-166.5	70.7	0	0	111.4	L566 M567 N573 L574 M603 C606 L607 M610 M622	L566-M570 VanDerWaalsContact O-CB 3.28Å; L566-M570 WeakPolarHBondContact O-CB 3.39Å; L566-M570 PolarHBondContact O-N 3.41Å; M567-M570 HydrophobicContact CG-CE 4.34Å; M567-M570 WeakPolarHBondContact O-CB 3.46Å; M567-M570 PolarHBondContact O-N 3.27Å; M570-N573 PolarHBondContact O-N 2.87Å; M570-L574 VanDerWaalsContact O-CB 3.26Å; M570-L574 WeakPolarHBondContact O-CB 3.47Å; M570-L574 PolarHBondContact O-N 3.12Å; M570-M603 HydrophobicContact CG-CG 4.04Å; M570-C606 HydrophobicContact CB-CB 3.84Å; M570-C606 HydrophobicContact CG-CB 4.46Å; M570-L607 HydrophobicContact SD-CB 4.5Å; M570-L607 HydrophobicContact SD-CD1 4.37Å; M570-M610 HydrophobicContact CE-CE 4.45Å; M570-M610 HydrophobicContact SD-CE 3.69Å; M570-M622 HydrophobicContact CE-CG 4.48Å; M570-M622 HydrophobicContact SD-SD 4.44Å
571	F	93.4	Very high	92.5	Very high	26 Å²	26	17.8 Å²	17.8	11%	0.114	9%	0.094	C	C	.	.	H	α-helix	trans	-67.8	-40	-179.9	-74.3	-50.7	0	0	0	113.3	V180 M567 C568 N573 L574 A575 A625	V180-F571 HydrophobicContact CG2-CB 3.66Å; M567-F571 HydrophobicContact CG-CD2 3.91Å; M567-F571 HydrophobicContact CG-CE2 3.47Å; M567-F571 VanDerWaalsContact CG-CE2 3.47Å; M567-F571 HydrophobicContact CG-CZ 4.28Å; M567-F571 VanDerWaalsContact O-CD2 3.28Å; M567-F571 WeakPolarHBondContact O-CD2 3.43Å; M567-F571 PolarHBondContact O-N 3.33Å; M567-F571 HydrophobicContact SD-CE2 3.73Å; C568-F571 PolarHBondContact O-N 2.75Å; F571-N573 VanDerWaalsContact C-N 3.34Å; F571-N573 PolarHBondContact O-N 2.86Å; F571-L574 HydrophobicContact CD1-CD2 4.35Å; F571-L574 PolarHBondContact O-N 3.49Å; F571-A575 VanDerWaalsContact O-CB 3.28Å; F571-A575 WeakPolarHBondContact O-CB 3.4Å; F571-A575 PolarHBondContact O-N 3.32Å; F571-A625 HydrophobicContact CE2-CB 3.57Å; F571-A625 HydrophobicContact CZ-CB 3.62Å
572	V	93.8	Very high	92.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-59.4	-46.5	174.1	168.9	0	0	0	0	110.7	T146 I153 V180 M415 C568 Y569 C576	T146-V572 HydrophobicContact CG2-CG1 4.48Å; I153-V572 HydrophobicContact CD1-CG1 3.94Å; V180-V572 HydrophobicContact CG1-CG2 3.92Å; V180-V572 HydrophobicContact CG2-CG2 4.28Å; M415-V572 HydrophobicContact CE-CG2 3.99Å; C568-V572 WeakPolarHBondContact O-CG2 3.49Å; C568-V572 PolarHBondContact O-N 3.2Å; C568-V572 VanDerWaalsContact O-N 3.13Å; Y569-V572 PolarHBondContact O-N 3.43Å; V572-C576 PolarHBondContact O-N 3.21Å; V572-C576 PolarHBondContact O-SG 3.4Å; V572-C576 VanDerWaalsContact O-SG 3.38Å
573	N	95.9	Very high	91.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-66.6	-42.9	178.5	-76.5	-37.6	0	0	0	112.8	T146 S149 Y569 M570 F571 A577 S599 M603	T146-N573 WeakPolarHBondContact CA-OD1 3.34Å; T146-N573 PolarHBondContact OG1-ND2 3.47Å; S149-N573 VanDerWaalsContact CB-OD1 3.25Å; S149-N573 WeakPolarHBondContact CB-OD1 3.25Å; S149-N573 PolarHBondContact OG-OD1 3.3Å; Y569-N573 WeakPolarHBondContact O-CB 3.44Å; Y569-N573 VanDerWaalsContact O-CG 3.32Å; Y569-N573 PolarHBondContact O-N 3.48Å; Y569-N573 PolarHBondContact O-ND2 3.44Å; M570-N573 PolarHBondContact O-N 2.87Å; F571-N573 VanDerWaalsContact C-N 3.34Å; F571-N573 PolarHBondContact O-N 2.86Å; N573-A577 PolarHBondContact O-N 3.46Å; N573-S599 WeakPolarHBondContact CB-O 3.4Å; N573-S599 WeakPolarHBondContact O-CB 3.22Å; N573-M603 HydrophobicContact CB-CB 3.87Å
574	L	93.9	Very high	91.4	Very high	56 Å²	56	31.5 Å²	31.5	29%	0.293	15%	0.153	S	C	.	.	H	α-helix	trans	-60.3	-48.4	175.9	173.3	63.9	0	0	0	111.4	M570 F571 A577 V578 M603	M570-L574 VanDerWaalsContact O-CB 3.26Å; M570-L574 WeakPolarHBondContact O-CB 3.47Å; M570-L574 PolarHBondContact O-N 3.12Å; F571-L574 HydrophobicContact CD1-CD2 4.35Å; F571-L574 PolarHBondContact O-N 3.49Å; L574-A577 PolarHBondContact O-N 3.15Å; L574-V578 HydrophobicContact CD1-CG2 3.68Å; L574-V578 HydrophobicContact CG-CG2 4.29Å; L574-V578 WeakPolarHBondContact O-CB 3.2Å; L574-V578 VanDerWaalsContact O-CG2 3.27Å; L574-V578 WeakPolarHBondContact O-CG2 3.42Å; L574-V578 PolarHBondContact O-N 3.02Å; L574-M603 HydrophobicContact CB-CG 4.16Å; L574-M603 HydrophobicContact CB-SD 4Å; L574-M603 HydrophobicContact CD1-SD 3.62Å; L574-M603 HydrophobicContact CG-SD 4.36Å
575	A	92.1	Very high	90.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.1	-48	-176.4	0	0	0	0	0	112.1	L172 F176 F571 A577 V578 Q579	L172-A575 HydrophobicContact CD1-CB 3.76Å; L172-A575 HydrophobicContact CD2-CB 4.2Å; L172-A575 HydrophobicContact CG-CB 4.5Å; F176-A575 HydrophobicContact CD1-CB 3.81Å; F176-A575 HydrophobicContact CD2-CB 4.39Å; F176-A575 HydrophobicContact CE1-CB 3.96Å; F176-A575 HydrophobicContact CG-CB 4.04Å; F176-A575 HydrophobicContact CZ-CB 4.31Å; F571-A575 VanDerWaalsContact O-CB 3.28Å; F571-A575 WeakPolarHBondContact O-CB 3.4Å; F571-A575 PolarHBondContact O-N 3.32Å; A575-A577 PolarHBondContact O-N 3.27Å; A575-V578 PolarHBondContact O-N 3.48Å; A575-Q579 WeakPolarHBondContact O-CB 3.17Å; A575-Q579 VanDerWaalsContact O-CG 3.3Å; A575-Q579 WeakPolarHBondContact O-CG 3.46Å; A575-Q579 PolarHBondContact O-N 3.19Å
576	C	93.4	Very high	90.2	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-57.8	-47.1	176.5	-67.2	0	0	0	0	112	V572 T580 W587 Y594	V572-C576 PolarHBondContact O-N 3.21Å; V572-C576 PolarHBondContact O-SG 3.4Å; V572-C576 VanDerWaalsContact O-SG 3.38Å; C576-T580 PolarHBondContact O-N 3.03Å; C576-T580 VanDerWaalsContact O-N 3.13Å; C576-T580 PolarHBondContact O-OG1 3.13Å; C576-W587 HydrophobicContact CB-CH2 4.36Å; C576-W587 HydrophobicContact CB-CZ2 3.98Å; C576-Y594 HydrophobicContact CB-CE2 4.24Å; C576-Y594 PolarHBondContact O-OH 3.19Å
577	A	94.4	Very high	89.9	Confident	3 Å²	3	37.8 Å²	37.8	3%	0.025	19%	0.189	C	C	.	.	H	α-helix	trans	-61.6	-47.4	178.6	0	0	0	0	0	111.9	N573 L574 A575 T580 L581	N573-A577 PolarHBondContact O-N 3.46Å; L574-A577 PolarHBondContact O-N 3.15Å; A575-A577 PolarHBondContact O-N 3.27Å; A577-T580 PolarHBondContact O-N 3.37Å; A577-L581 WeakPolarHBondContact O-CB 3.46Å; A577-L581 VanDerWaalsContact O-CG 3.27Å; A577-L581 WeakPolarHBondContact O-CG 3.33Å; A577-L581 PolarHBondContact O-N 3.21Å
578	V	91.7	Very high	89.8	Confident	49 Å²	49	45.4 Å²	45.4	30%	0.297	22%	0.217	S	C	.	.	H	α-helix	trans	-64.6	-42.2	-179.4	169.1	0	0	0	0	111.7	L574 A575 L581 L582	L574-V578 HydrophobicContact CD1-CG2 3.68Å; L574-V578 HydrophobicContact CG-CG2 4.29Å; L574-V578 WeakPolarHBondContact O-CB 3.2Å; L574-V578 VanDerWaalsContact O-CG2 3.27Å; L574-V578 WeakPolarHBondContact O-CG2 3.42Å; L574-V578 PolarHBondContact O-N 3.02Å; A575-V578 PolarHBondContact O-N 3.48Å; V578-L581 PolarHBondContact O-N 3.25Å; V578-L582 HydrophobicContact CG1-CD1 3.55Å; V578-L582 HydrophobicContact CG1-CG 4.09Å; V578-L582 VanDerWaalsContact O-CB 3.31Å; V578-L582 WeakPolarHBondContact O-CB 3.34Å; V578-L582 WeakPolarHBondContact O-CG 3.27Å; V578-L582 PolarHBondContact O-N 2.81Å
579	Q	90.6	Very high	89.7	Confident	15 Å²	15	47 Å²	47	7%	0.07	23%	0.227	C	C	.	.	H	α-helix	trans	-68.3	-37	-179.8	-70.8	178.7	-1.3	0	0	112.6	L172 A575 R583 T584 W587	L172-Q579 VanDerWaalsContact CD2-OE1 3.27Å; L172-Q579 PolarHBondContact O-NE2 3.37Å; A575-Q579 WeakPolarHBondContact O-CB 3.17Å; A575-Q579 VanDerWaalsContact O-CG 3.3Å; A575-Q579 WeakPolarHBondContact O-CG 3.46Å; A575-Q579 PolarHBondContact O-N 3.19Å; Q579-R583 PolarHBondContact O-N 3.17Å; Q579-T584 PolarHBondContact O-N 3.32Å; Q579-T584 VanDerWaalsContact O-N 3.13Å; Q579-W587 HydrophobicContact CB-CB 4.18Å; Q579-W587 HydrophobicContact CB-CD2 4.02Å; Q579-W587 HydrophobicContact CB-CG 3.71Å; Q579-W587 VanDerWaalsContact OE1-CE3 3.25Å
580	T	90.5	Very high	89.4	Confident	43 Å²	43	54.9 Å²	54.9	26%	0.264	26%	0.257	S	S	.	.	H	α-helix	trans	-65.6	-43.8	170.8	-67.2	0	0	0	0	111.9	C576 A577 R583 W587 Y594 W596	C576-T580 PolarHBondContact O-N 3.03Å; C576-T580 VanDerWaalsContact O-N 3.13Å; C576-T580 PolarHBondContact O-OG1 3.13Å; A577-T580 PolarHBondContact O-N 3.37Å; T580-R583 PolarHBondContact O-N 2.63Å; T580-W587 PolarHBondContact OG1-NE1 2.95Å; T580-Y594 WeakPolarHBondContact OG1-CE1 3.39Å; T580-Y594 PolarHBondContact OG1-OH 2.93Å; T580-W596 HydrophobicContact CG2-CB 3.91Å; T580-W596 HydrophobicContact CG2-CG 4.43Å
581	L	89.3	Confident	89.3	Confident	100 Å²	100	56 Å²	56	52%	0.524	26%	0.262	S	S	.	.	H	α-helix	trans	-68.2	-39.7	-179.4	-73.6	169.4	0	0	0	112.9	A577 V578 R583 W596	A577-L581 WeakPolarHBondContact O-CB 3.46Å; A577-L581 VanDerWaalsContact O-CG 3.27Å; A577-L581 WeakPolarHBondContact O-CG 3.33Å; A577-L581 PolarHBondContact O-N 3.21Å; V578-L581 PolarHBondContact O-N 3.25Å; L581-R583 VanDerWaalsContact C-N 3.29Å; L581-R583 PolarHBondContact O-N 3.35Å; L581-W596 HydrophobicContact CD1-CE3 4.2Å; L581-W596 HydrophobicContact CD2-CD2 3.97Å; L581-W596 HydrophobicContact CD2-CE3 4.07Å; L581-W596 HydrophobicContact CD2-CG 4.39Å; L581-W596 HydrophobicContact CD2-CZ3 4.44Å; L581-W596 HydrophobicContact CG-CD2 4.44Å; L581-W596 HydrophobicContact CG-CE3 4.36Å
582	L	85.3	Confident	89.2	Confident	78 Å²	78	65.3 Å²	65.3	41%	0.408	30%	0.296	S	S	.	.	H	α-helix	trans	-80.3	-7.5	179.6	-68.3	-178.9	0	0	0	114	V578 R659	V578-L582 HydrophobicContact CG1-CD1 3.55Å; V578-L582 HydrophobicContact CG1-CG 4.09Å; V578-L582 VanDerWaalsContact O-CB 3.31Å; V578-L582 WeakPolarHBondContact O-CB 3.34Å; V578-L582 WeakPolarHBondContact O-CG 3.27Å; V578-L582 PolarHBondContact O-N 2.81Å; L582-R659 VanDerWaalsContact O-CD 3.25Å; L582-R659 WeakPolarHBondContact O-CD 3.18Å
583	R	82.5	Confident	89.1	Confident	198 Å²	198	73 Å²	73	75%	0.747	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	62.4	-172	-58.9	-176.2	-177.5	-173.3	-0.4	111.4	Q579 T580 L581	Q579-R583 PolarHBondContact O-N 3.17Å; T580-R583 PolarHBondContact O-N 2.63Å; L581-R583 VanDerWaalsContact C-N 3.29Å; L581-R583 PolarHBondContact O-N 3.35Å
584	T	81.5	Confident	89.1	Confident	27 Å²	27	74.4 Å²	74.4	17%	0.166	33%	0.332	C	S	.	.			trans	-63.5	128.3	174.5	-59.7	0	0	0	0	109.9	Q579 N586 W587 Y655	Q579-T584 PolarHBondContact O-N 3.32Å; Q579-T584 VanDerWaalsContact O-N 3.13Å; T584-N586 VanDerWaalsContact C-N 3.3Å; T584-N586 PolarHBondContact O-N 3.45Å; T584-N586 VanDerWaalsContact O-N 3.15Å; T584-W587 HydrophobicContact CG2-CB 4.32Å; T584-W587 WeakPolarHBondContact O-CB 3.35Å; T584-W587 PolarHBondContact O-N 2.94Å; T584-Y655 WeakPolarHBondContact CA-OH 3.49Å; T584-Y655 WeakPolarHBondContact CB-OH 3.44Å; T584-Y655 HydrophobicContact CG2-CE2 4.24Å; T584-Y655 PolarHBondContact OG1-OH 3.43Å
585	P	76.8	Confident	89.1	Confident	25 Å²	25	76.1 Å²	76.1	16%	0.162	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-40.8	-169.1	-30.6	35.7	0	0	0	115	W587 R588 E662	P585-W587 VanDerWaalsContact C-N 3.33Å; P585-W587 PolarHBondContact O-N 3.37Å; P585-R588 PolarHBondContact O-NE 3.02Å; P585-E662 WeakPolarHBondContact CA-OE2 3.39Å
586	N	82.7	Confident	89.2	Confident	140 Å²	140	80.6 Å²	80.6	75%	0.749	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	4.4	-178.1	-63.3	-6.1	0	0	0	113.8	N156 T584	N156-N586 PolarHBondContact ND2-O 2.92Å; N156-N586 PolarHBondContact OD1-O 2.82Å; T584-N586 VanDerWaalsContact C-N 3.3Å; T584-N586 PolarHBondContact O-N 3.45Å; T584-N586 VanDerWaalsContact O-N 3.15Å
587	W	87.4	Confident	89.3	Confident	16 Å²	16	83.4 Å²	83.4	6%	0.061	37%	0.372	C	S	.	.			trans	-105.2	96.3	-176.8	-177.3	-107.1	0	0	0	111.3	A152 I153 N156 L172 C576 Q579 T580 T584 P585 P589	A152-W587 HydrophobicContact CB-CH2 4.4Å; A152-W587 HydrophobicContact CB-CZ2 4.38Å; I153-W587 HydrophobicContact CG1-CH2 3.86Å; I153-W587 HydrophobicContact CG1-CZ3 4.18Å; N156-W587 HydrophobicContact CB-CE3 4.19Å; N156-W587 HydrophobicContact CB-CZ3 4.02Å; L172-W587 HydrophobicContact CD2-CE3 4.4Å; L172-W587 HydrophobicContact CD2-CH2 4.21Å; L172-W587 HydrophobicContact CD2-CZ3 3.81Å; C576-W587 HydrophobicContact CB-CH2 4.36Å; C576-W587 HydrophobicContact CB-CZ2 3.98Å; Q579-W587 HydrophobicContact CB-CB 4.18Å; Q579-W587 HydrophobicContact CB-CD2 4.02Å; Q579-W587 HydrophobicContact CB-CG 3.71Å; Q579-W587 VanDerWaalsContact OE1-CE3 3.25Å; T580-W587 PolarHBondContact OG1-NE1 2.95Å; T584-W587 HydrophobicContact CG2-CB 4.32Å; T584-W587 WeakPolarHBondContact O-CB 3.35Å; T584-W587 PolarHBondContact O-N 2.94Å; P585-W587 VanDerWaalsContact C-N 3.33Å; P585-W587 PolarHBondContact O-N 3.37Å; W587-P589 HydrophobicContact CZ2-CB 4.36Å; W587-P589 HydrophobicContact CZ2-CG 4.09Å
588	R	89.2	Confident	89.4	Confident	165 Å²	165	85.9 Å²	85.9	62%	0.623	39%	0.385	S	S	*	.			trans	-135.5	65.5	-176.8	-57.4	-177.1	-172.5	-168.2	-1.2	110.3	N156 P585 R590 E662	N156-R588 PolarHBondContact OD1-N 3.38Å; P585-R588 PolarHBondContact O-NE 3.02Å; R588-R590 PolarHBondContact O-N 2.93Å; R588-E662 IonicContact CZ-OE1 3.59Å; R588-E662 IonicContact NH2-OE1 3.7Å; R588-E662 PolarHBondContact NH2-OE1 2.71Å
589	P	90.3	Very high	89.6	Confident	32 Å²	32	83.5 Å²	83.5	21%	0.208	37%	0.371	C	S	.	.			trans	-62.6	128.1	-177.5	26	-34.5	0	0	0	111.2	A152 W587 Y594	A152-P589 HydrophobicContact CB-CB 3.92Å; W587-P589 HydrophobicContact CZ2-CB 4.36Å; W587-P589 HydrophobicContact CZ2-CG 4.09Å; P589-Y594 HydrophobicContact CB-CD1 4.17Å; P589-Y594 HydrophobicContact CB-CE1 4.42Å; P589-Y594 HydrophobicContact CG-CD1 3.69Å; P589-Y594 HydrophobicContact CG-CE1 3.6Å
590	R	89.2	Confident	89.8	Confident	168 Å²	168	87.9 Å²	87.9	63%	0.634	39%	0.389	S	S	*	.			trans	-94.1	1.5	-177.4	-68.1	-177.5	-68.7	155.2	4.9	114	Q428 R588 R592	Q428-R590 VanDerWaalsContact CD-NH2 3.27Å; R588-R590 PolarHBondContact O-N 2.93Å; R590-R592 PolarHBondContact O-N 3.42Å
591	F	92.1	Very high	90.1	Very high	36 Å²	36	89.8 Å²	89.8	16%	0.158	40%	0.397	C	S	.	.			trans	-73	119.6	-177.9	-173	-120	0	0	0	112.5	I148 T155 P432 I436 Y593 Y594	I148-F591 HydrophobicContact CG2-CE1 4.3Å; T155-F591 HydrophobicContact CG2-CB 4.29Å; T155-F591 WeakPolarHBondContact OG1-CB 3.2Å; T155-F591 PolarHBondContact OG1-N 3.15Å; P432-F591 HydrophobicContact CB-CD2 4.29Å; P432-F591 HydrophobicContact CB-CE2 3.84Å; P432-F591 HydrophobicContact CB-CZ 4.43Å; I436-F591 HydrophobicContact CD1-CE1 4.41Å; I436-F591 HydrophobicContact CD1-CZ 3.81Å; F591-Y593 VanDerWaalsContact C-N 3.3Å; F591-Y593 HydrophobicContact CE1-CD2 4.29Å; F591-Y593 HydrophobicContact CE2-CD2 4.22Å; F591-Y593 AromaticContact CZ-CD2 3.8Å; F591-Y593 HydrophobicContact CZ-CD2 3.8Å; F591-Y593 HydrophobicContact CZ-CG 4.47Å; F591-Y593 PolarHBondContact O-N 3.43Å; F591-Y594 WeakPolarHBondContact O-CB 3.26Å; F591-Y594 PolarHBondContact O-N 2.66Å; F591-Y594 VanDerWaalsContact O-N 3.13Å
592	R	89.9	Confident	90.4	Very high	220 Å²	220	85 Å²	85	83%	0.83	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-32.5	-173.2	-175.5	176.7	179.7	176.1	0.3	115	R590	R590-R592 PolarHBondContact O-N 3.42Å
593	Y	92.5	Very high	90.9	Very high	162 Å²	162	82.7 Å²	82.7	64%	0.635	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	9.3	-177.4	-52.1	-66.4	0	0	0	113.4	F591 L598	F591-Y593 VanDerWaalsContact C-N 3.3Å; F591-Y593 HydrophobicContact CE1-CD2 4.29Å; F591-Y593 HydrophobicContact CE2-CD2 4.22Å; F591-Y593 AromaticContact CZ-CD2 3.8Å; F591-Y593 HydrophobicContact CZ-CD2 3.8Å; F591-Y593 HydrophobicContact CZ-CG 4.47Å; F591-Y593 PolarHBondContact O-N 3.43Å; Y593-L598 WeakPolarHBondContact O-CD1 3.45Å
594	Y	95	Very high	91.5	Very high	29 Å²	29	75.5 Å²	75.5	11%	0.114	34%	0.34	C	S	.	.			trans	-82.5	132.9	175	174.5	-105.4	0	0	0	111.4	A152 C576 T580 P589 F591 S599	A152-Y594 HydrophobicContact CB-CD1 4.3Å; A152-Y594 HydrophobicContact CB-CD2 3.34Å; A152-Y594 HydrophobicContact CB-CE2 3.69Å; A152-Y594 HydrophobicContact CB-CG 3.66Å; C576-Y594 HydrophobicContact CB-CE2 4.24Å; C576-Y594 PolarHBondContact O-OH 3.19Å; T580-Y594 WeakPolarHBondContact OG1-CE1 3.39Å; T580-Y594 PolarHBondContact OG1-OH 2.93Å; P589-Y594 HydrophobicContact CB-CD1 4.17Å; P589-Y594 HydrophobicContact CB-CE1 4.42Å; P589-Y594 HydrophobicContact CG-CD1 3.69Å; P589-Y594 HydrophobicContact CG-CE1 3.6Å; F591-Y594 WeakPolarHBondContact O-CB 3.26Å; F591-Y594 PolarHBondContact O-N 2.66Å; F591-Y594 VanDerWaalsContact O-N 3.13Å; Y594-S599 WeakPolarHBondContact CE2-OG 3.3Å
595	H	94.9	Very high	92.1	Very high	92 Å²	92	76.6 Å²	76.6	43%	0.426	35%	0.345	S	S	.	.			trans	-147.7	144.7	165.6	-169.4	-104.2	0	0	0	109.7	T597 L598	H595-T597 PolarHBondContact ND1-N 2.89Å; H595-T597 PolarHBondContact ND1-OG1 3.42Å; H595-T597 PolarHBondContact O-N 3.25Å; H595-T597 VanDerWaalsContact O-N 3.14Å; H595-L598 HydrophobicContact CB-CD1 4.43Å; H595-L598 HydrophobicContact CB-CG 4.49Å; H595-L598 WeakPolarHBondContact O-CB 3.34Å; H595-L598 PolarHBondContact O-N 3.32Å
596	W	94.6	Very high	92.9	Very high	95 Å²	95	75.4 Å²	75.4	36%	0.36	34%	0.337	S	S	.	.	H	α-helix	trans	-60.1	-28.9	-173.8	66.4	-91.6	0	0	0	113.4	T580 L581 L598 S599 F600	T580-W596 HydrophobicContact CG2-CB 3.91Å; T580-W596 HydrophobicContact CG2-CG 4.43Å; L581-W596 HydrophobicContact CD1-CE3 4.2Å; L581-W596 HydrophobicContact CD2-CD2 3.97Å; L581-W596 HydrophobicContact CD2-CE3 4.07Å; L581-W596 HydrophobicContact CD2-CG 4.39Å; L581-W596 HydrophobicContact CD2-CZ3 4.44Å; L581-W596 HydrophobicContact CG-CD2 4.44Å; L581-W596 HydrophobicContact CG-CE3 4.36Å; W596-L598 VanDerWaalsContact C-N 3.32Å; W596-L598 PolarHBondContact O-N 3.26Å; W596-S599 PolarHBondContact O-N 3.47Å; W596-F600 WeakPolarHBondContact O-CB 3.39Å; W596-F600 PolarHBondContact O-N 3.45Å
597	T	95.8	Very high	93.4	Very high	58 Å²	58	71.9 Å²	71.9	36%	0.356	32%	0.318	S	S	.	.	H	α-helix	trans	-66.8	-31.3	175.8	57	0	0	0	0	112.8	H595 F600 L601	H595-T597 PolarHBondContact ND1-N 2.89Å; H595-T597 PolarHBondContact ND1-OG1 3.42Å; H595-T597 PolarHBondContact O-N 3.25Å; H595-T597 VanDerWaalsContact O-N 3.14Å; T597-F600 PolarHBondContact O-N 2.74Å; T597-L601 WeakPolarHBondContact O-CB 3.43Å; T597-L601 PolarHBondContact O-N 2.94Å
598	L	95.1	Very high	93.7	Very high	55 Å²	55	73.1 Å²	73.1	29%	0.288	33%	0.332	S	S	.	.	H	α-helix	trans	-69.8	-42.7	177.2	-63.3	174.8	0	0	0	110.5	L145 I148 Y593 H595 W596 L601 G602	L145-L598 HydrophobicContact CD2-CB 4.13Å; L145-L598 HydrophobicContact CD2-CD2 4.12Å; I148-L598 HydrophobicContact CG2-CD1 4.44Å; Y593-L598 WeakPolarHBondContact O-CD1 3.45Å; H595-L598 HydrophobicContact CB-CD1 4.43Å; H595-L598 HydrophobicContact CB-CG 4.49Å; H595-L598 WeakPolarHBondContact O-CB 3.34Å; H595-L598 PolarHBondContact O-N 3.32Å; W596-L598 VanDerWaalsContact C-N 3.32Å; W596-L598 PolarHBondContact O-N 3.26Å; L598-L601 PolarHBondContact O-N 3.34Å; L598-G602 PolarHBondContact O-N 2.88Å
599	S	95.7	Very high	93.9	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64.6	-40.9	172.5	-59	0	0	0	0	111.8	S149 N573 Y594 W596 L601 G602 M603	S149-S599 WeakPolarHBondContact OG-CB 3.26Å; S149-S599 PolarHBondContact OG-OG 3.4Å; N573-S599 WeakPolarHBondContact CB-O 3.4Å; N573-S599 WeakPolarHBondContact O-CB 3.22Å; Y594-S599 WeakPolarHBondContact CE2-OG 3.3Å; W596-S599 PolarHBondContact O-N 3.47Å; S599-L601 PolarHBondContact O-N 3.1Å; S599-G602 PolarHBondContact O-N 3.01Å; S599-M603 WeakPolarHBondContact O-CB 3.5Å; S599-M603 PolarHBondContact O-N 3.32Å
600	F	95.9	Very high	94	Very high	106 Å²	106	64.2 Å²	64.2	47%	0.465	29%	0.294	S	S	.	.	H	α-helix	trans	-63.7	-38.9	175.4	-172.6	-97.1	0	0	0	112.8	W596 T597 M603 S604	W596-F600 WeakPolarHBondContact O-CB 3.39Å; W596-F600 PolarHBondContact O-N 3.45Å; T597-F600 PolarHBondContact O-N 2.74Å; F600-M603 HydrophobicContact CD2-CE 3.66Å; F600-M603 HydrophobicContact CD2-SD 4.47Å; F600-M603 HydrophobicContact CE2-CE 3.48Å; F600-M603 VanDerWaalsContact CE2-CE 3.48Å; F600-M603 HydrophobicContact CG-CE 4.39Å; F600-M603 HydrophobicContact CZ-CE 4.06Å; F600-M603 PolarHBondContact O-N 2.92Å; F600-S604 PolarHBondContact O-N 3.01Å; F600-S604 PolarHBondContact O-OG 3.45Å
601	L	96.1	Very high	94.1	Very high	83 Å²	83	59.8 Å²	59.8	44%	0.435	28%	0.28	S	S	.	.	H	α-helix	trans	-66.2	-40.1	173	-176.5	67.2	0	0	0	112	L145 T597 L598 S599 S604 L605	L145-L601 HydrophobicContact CD1-CB 4.35Å; L145-L601 HydrophobicContact CD1-CD2 3.97Å; L145-L601 HydrophobicContact CD1-CG 3.93Å; T597-L601 WeakPolarHBondContact O-CB 3.43Å; T597-L601 PolarHBondContact O-N 2.94Å; L598-L601 PolarHBondContact O-N 3.34Å; S599-L601 PolarHBondContact O-N 3.1Å; L601-S604 PolarHBondContact O-N 3.05Å; L601-S604 PolarHBondContact O-OG 3.13Å; L601-S604 VanDerWaalsContact O-OG 3.05Å; L601-L605 HydrophobicContact CG-CD1 4.22Å; L601-L605 WeakPolarHBondContact O-CB 3.45Å; L601-L605 WeakPolarHBondContact O-CG 3.08Å; L601-L605 PolarHBondContact O-N 3.2Å
602	G	95.4	Very high	94	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-61.6	-43.5	173.7	0	0	0	0	0	111.9	L598 S599 L605 C606	L598-G602 PolarHBondContact O-N 2.88Å; S599-G602 PolarHBondContact O-N 3.01Å; G602-L605 PolarHBondContact O-N 3.41Å; G602-C606 PolarHBondContact O-N 3.45Å; G602-C606 PolarHBondContact O-SG 3.46Å
603	M	95.3	Very high	93.7	Very high	29 Å²	29	52.3 Å²	52.3	14%	0.143	26%	0.259	C	S	.	.	H	α-helix	trans	-61.2	-46.3	175	-179	-153.4	71.5	0	0	112.1	M570 N573 L574 S599 F600 C606 L607	M570-M603 HydrophobicContact CG-CG 4.04Å; N573-M603 HydrophobicContact CB-CB 3.87Å; L574-M603 HydrophobicContact CB-CG 4.16Å; L574-M603 HydrophobicContact CB-SD 4Å; L574-M603 HydrophobicContact CD1-SD 3.62Å; L574-M603 HydrophobicContact CG-SD 4.36Å; S599-M603 WeakPolarHBondContact O-CB 3.5Å; S599-M603 PolarHBondContact O-N 3.32Å; F600-M603 HydrophobicContact CD2-CE 3.66Å; F600-M603 HydrophobicContact CD2-SD 4.47Å; F600-M603 HydrophobicContact CE2-CE 3.48Å; F600-M603 VanDerWaalsContact CE2-CE 3.48Å; F600-M603 HydrophobicContact CG-CE 4.39Å; F600-M603 HydrophobicContact CZ-CE 4.06Å; F600-M603 PolarHBondContact O-N 2.92Å; M603-C606 PolarHBondContact O-N 2.92Å; M603-L607 WeakPolarHBondContact O-CB 3.39Å; M603-L607 PolarHBondContact O-N 3.37Å
604	S	95.2	Very high	93.4	Very high	47 Å²	47	45.2 Å²	45.2	33%	0.329	23%	0.233	S	C	.	.	H	α-helix	trans	-68.3	-36.3	-179.3	65.9	0	0	0	0	112.6	F600 L601 L607 A608	F600-S604 PolarHBondContact O-N 3.01Å; F600-S604 PolarHBondContact O-OG 3.45Å; L601-S604 PolarHBondContact O-N 3.05Å; L601-S604 PolarHBondContact O-OG 3.13Å; L601-S604 VanDerWaalsContact O-OG 3.05Å; S604-L607 PolarHBondContact O-N 3.49Å; S604-A608 WeakPolarHBondContact O-CB 3.41Å; S604-A608 PolarHBondContact O-N 3.12Å
605	L	94.4	Very high	93.2	Very high	50 Å²	50	51.5 Å²	51.5	26%	0.262	26%	0.257	S	S	.	.	H	α-helix	trans	-65.8	-43.2	172	-76	168.5	0	0	0	112.4	L145 L601 G602 L607 A608 L609	L145-L605 HydrophobicContact CD1-CD1 3.67Å; L601-L605 HydrophobicContact CG-CD1 4.22Å; L601-L605 WeakPolarHBondContact O-CB 3.45Å; L601-L605 WeakPolarHBondContact O-CG 3.08Å; L601-L605 PolarHBondContact O-N 3.2Å; G602-L605 PolarHBondContact O-N 3.41Å; L605-L607 VanDerWaalsContact C-N 3.32Å; L605-L607 PolarHBondContact O-N 2.99Å; L605-A608 PolarHBondContact O-N 3.45Å; L605-L609 WeakPolarHBondContact O-CG 3.46Å; L605-L609 PolarHBondContact O-N 3.43Å
606	C	94.6	Very high	92.8	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-56.9	-47.9	174	-67.2	0	0	0	0	110.8	C142 L566 M570 G602 M603 L609 M610	C142-C606 PolarHBondContact SG-SG 3.41Å; L566-C606 HydrophobicContact CD2-CB 4.48Å; M570-C606 HydrophobicContact CB-CB 3.84Å; M570-C606 HydrophobicContact CG-CB 4.46Å; G602-C606 PolarHBondContact O-N 3.45Å; G602-C606 PolarHBondContact O-SG 3.46Å; M603-C606 PolarHBondContact O-N 2.92Å; C606-L609 PolarHBondContact O-N 2.89Å; C606-M610 WeakPolarHBondContact O-CG 3.24Å; C606-M610 PolarHBondContact O-N 3.37Å; C606-M610 VanDerWaalsContact O-N 3.08Å
607	L	93.8	Very high	92.5	Very high	67 Å²	67	54.3 Å²	54.3	35%	0.351	27%	0.265	S	S	.	.	H	α-helix	trans	-64.2	-45.3	-179.5	-172.7	149.4	0	0	0	111.6	M570 M603 S604 L605 L609 M610 F611	M570-L607 HydrophobicContact SD-CB 4.5Å; M570-L607 HydrophobicContact SD-CD1 4.37Å; M603-L607 WeakPolarHBondContact O-CB 3.39Å; M603-L607 PolarHBondContact O-N 3.37Å; S604-L607 PolarHBondContact O-N 3.49Å; L605-L607 VanDerWaalsContact C-N 3.32Å; L605-L607 PolarHBondContact O-N 2.99Å; L607-L609 VanDerWaalsContact C-N 3.34Å; L607-L609 PolarHBondContact O-N 2.89Å; L607-M610 PolarHBondContact O-N 3.09Å; L607-F611 HydrophobicContact CD2-CD2 3.65Å; L607-F611 HydrophobicContact CD2-CE2 3.79Å; L607-F611 HydrophobicContact CG-CD2 4.04Å; L607-F611 HydrophobicContact CG-CE2 4.02Å; L607-F611 WeakPolarHBondContact O-CD2 3.38Å; L607-F611 PolarHBondContact O-N 2.85Å; L607-F611 VanDerWaalsContact O-N 3.14Å
608	A	93.7	Very high	92.1	Very high	42 Å²	42	51.6 Å²	51.6	35%	0.347	25%	0.248	S	C	.	.	H	α-helix	trans	-57.1	-46.6	176	0	0	0	0	0	111.8	S604 L605 M610 F611 I612	S604-A608 WeakPolarHBondContact O-CB 3.41Å; S604-A608 PolarHBondContact O-N 3.12Å; L605-A608 PolarHBondContact O-N 3.45Å; A608-M610 PolarHBondContact O-N 2.95Å; A608-F611 PolarHBondContact O-N 3.43Å; A608-I612 WeakPolarHBondContact O-CB 3.38Å; A608-I612 WeakPolarHBondContact O-CD1 3.48Å; A608-I612 WeakPolarHBondContact O-CG1 3.48Å; A608-I612 PolarHBondContact O-N 3.38Å
609	L	92.2	Very high	91.9	Very high	8 Å²	8	52.9 Å²	52.9	4%	0.042	26%	0.255	C	S	.	.	H	α-helix	trans	-62.4	-39.6	178.2	-71.5	172.3	0	0	0	112.8	I138 C142 V404 F408 L566 L605 C606 L607 I612 C613	I138-L609 HydrophobicContact CG2-CD1 4.36Å; I138-L609 HydrophobicContact CG2-CD2 3.96Å; I138-L609 HydrophobicContact CG2-CG 4.46Å; C142-L609 HydrophobicContact CB-CD1 4.03Å; V404-L609 HydrophobicContact CG1-CD2 3.73Å; F408-L609 HydrophobicContact CD2-CD1 4.47Å; F408-L609 HydrophobicContact CE2-CD1 4.32Å; L566-L609 HydrophobicContact CD1-CB 3.88Å; L566-L609 HydrophobicContact CD2-CB 3.8Å; L566-L609 HydrophobicContact CD2-CD1 3.96Å; L605-L609 WeakPolarHBondContact O-CG 3.46Å; L605-L609 PolarHBondContact O-N 3.43Å; C606-L609 PolarHBondContact O-N 2.89Å; L607-L609 VanDerWaalsContact C-N 3.34Å; L607-L609 PolarHBondContact O-N 2.89Å; L609-I612 PolarHBondContact O-N 3.27Å; L609-C613 WeakPolarHBondContact O-CB 3.14Å; L609-C613 PolarHBondContact O-N 3.26Å; L609-C613 PolarHBondContact O-SG 3.18Å; L609-C613 VanDerWaalsContact O-SG 3.35Å
610	M	92	Very high	91.6	Very high	2 Å²	2	57 Å²	57	1%	0.01	28%	0.28	C	S	.	.	H	α-helix	trans	-61	-48.1	175.1	-67.3	-165.5	-50.3	0	0	111.8	M563 L566 M567 M570 C606 L607 A608 I612 C613 S614 A618 M622	M563-M610 WeakPolarHBondContact CE-O 3.43Å; M563-M610 HydrophobicContact SD-CB 4.23Å; M563-M610 HydrophobicContact SD-CG 4.38Å; L566-M610 HydrophobicContact CB-CG 3.47Å; L566-M610 VanDerWaalsContact CB-CG 3.47Å; L566-M610 HydrophobicContact CB-SD 4.05Å; L566-M610 HydrophobicContact CD1-CG 3.86Å; L566-M610 HydrophobicContact CG-CG 4.24Å; M567-M610 HydrophobicContact CB-SD 4.08Å; M570-M610 HydrophobicContact CE-CE 4.45Å; M570-M610 HydrophobicContact SD-CE 3.69Å; C606-M610 WeakPolarHBondContact O-CG 3.24Å; C606-M610 PolarHBondContact O-N 3.37Å; C606-M610 VanDerWaalsContact O-N 3.08Å; L607-M610 PolarHBondContact O-N 3.09Å; A608-M610 PolarHBondContact O-N 2.95Å; M610-I612 VanDerWaalsContact C-N 3.35Å; M610-I612 PolarHBondContact O-N 3.03Å; M610-C613 PolarHBondContact O-N 2.86Å; M610-S614 CarbonylContact O-C 3.58Å; M610-S614 PolarHBondContact O-N 3.32Å; M610-A618 HydrophobicContact CB-CB 3.91Å; M610-M622 HydrophobicContact CE-CG 4.01Å; M610-M622 HydrophobicContact CE-SD 3.84Å
611	F	92.1	Very high	91.1	Very high	74 Å²	74	52.8 Å²	52.8	33%	0.325	27%	0.265	S	S	.	.	H	α-helix	trans	-67	-34.7	-179.6	-86.2	-84.4	0	0	0	113	L607 A608 W615 L619 M622	L607-F611 HydrophobicContact CD2-CD2 3.65Å; L607-F611 HydrophobicContact CD2-CE2 3.79Å; L607-F611 HydrophobicContact CG-CD2 4.04Å; L607-F611 HydrophobicContact CG-CE2 4.02Å; L607-F611 WeakPolarHBondContact O-CD2 3.38Å; L607-F611 PolarHBondContact O-N 2.85Å; L607-F611 VanDerWaalsContact O-N 3.14Å; A608-F611 PolarHBondContact O-N 3.43Å; F611-W615 HydrophobicContact CD1-CB 3.75Å; F611-W615 HydrophobicContact CE1-CB 4.35Å; F611-W615 PolarHBondContact O-N 3.01Å; F611-L619 HydrophobicContact CE1-CD2 4.18Å; F611-L619 HydrophobicContact CE1-CG 4.2Å; F611-L619 HydrophobicContact CZ-CD2 3.97Å; F611-L619 HydrophobicContact CZ-CG 4.39Å; F611-M622 HydrophobicContact CE2-CE 3.62Å; F611-M622 HydrophobicContact CZ-CE 3.63Å
612	I	89.8	Confident	90.7	Very high	75 Å²	75	51 Å²	51	39%	0.385	26%	0.255	S	S	.	.	H	α-helix	trans	-64.3	-46.7	175	-75.1	167.1	0	0	0	111.1	T401 A608 L609 M610	T401-I612 VanDerWaalsContact CB-O 3.28Å; T401-I612 WeakPolarHBondContact CB-O 3.33Å; T401-I612 HydrophobicContact CG2-CG2 3.59Å; T401-I612 PolarHBondContact OG1-O 2.92Å; A608-I612 WeakPolarHBondContact O-CB 3.38Å; A608-I612 WeakPolarHBondContact O-CD1 3.48Å; A608-I612 WeakPolarHBondContact O-CG1 3.48Å; A608-I612 PolarHBondContact O-N 3.38Å; L609-I612 PolarHBondContact O-N 3.27Å; M610-I612 VanDerWaalsContact C-N 3.35Å; M610-I612 PolarHBondContact O-N 3.03Å
613	C	84.6	Confident	90.4	Very high	25 Å²	25	56.4 Å²	56.4	17%	0.169	28%	0.283	C	S	.	.	H	α-helix	trans	-70.5	-48.8	-178.5	-70.9	0	0	0	0	112.6	M563 L609 M610	M563-C613 HydrophobicContact CE-CB 3.36Å; L609-C613 WeakPolarHBondContact O-CB 3.14Å; L609-C613 PolarHBondContact O-N 3.26Å; L609-C613 PolarHBondContact O-SG 3.18Å; L609-C613 VanDerWaalsContact O-SG 3.35Å; M610-C613 PolarHBondContact O-N 2.86Å
614	S	85.6	Confident	90.1	Very high	13 Å²	13	59.4 Å²	59.4	9%	0.091	30%	0.299	C	S	.	.	H	α-helix	trans	-164.1	103.6	171.7	176.5	0	0	0	0	111.3	M610 Y616 Y617 A618	M610-S614 CarbonylContact O-C 3.58Å; M610-S614 PolarHBondContact O-N 3.32Å; S614-Y616 VanDerWaalsContact C-N 3.31Å; S614-Y616 PolarHBondContact O-N 3.01Å; S614-Y616 WeakPolarHBondContact OG-CD1 3.47Å; S614-Y616 WeakPolarHBondContact OG-CE1 3.3Å; S614-Y616 VanDerWaalsContact OG-CZ 3.29Å; S614-Y617 VanDerWaalsContact OG-CD2 3.23Å; S614-Y617 WeakPolarHBondContact OG-CD2 3.37Å; S614-Y617 PolarHBondContact OG-N 3.19Å; S614-A618 VanDerWaalsContact O-CB 3.26Å; S614-A618 WeakPolarHBondContact O-CB 3.42Å; S614-A618 PolarHBondContact O-N 3.31Å
615	W	89.6	Confident	89.6	Confident	160 Å²	160	57.3 Å²	57.3	61%	0.606	28%	0.284	S	S	*	.	H	α-helix	trans	-59.6	-36.7	179.9	71.8	-87.4	0	0	0	113.8	F611 L619	F611-W615 HydrophobicContact CD1-CB 3.75Å; F611-W615 HydrophobicContact CE1-CB 4.35Å; F611-W615 PolarHBondContact O-N 3.01Å; W615-L619 HydrophobicContact CE3-CD1 3.71Å; W615-L619 HydrophobicContact CZ3-CD1 3.86Å; W615-L619 WeakPolarHBondContact O-CG 3.44Å; W615-L619 PolarHBondContact O-N 3.18Å
616	Y	88.4	Confident	89.3	Confident	119 Å²	119	56.5 Å²	56.5	47%	0.467	29%	0.288	S	S	.	.	H	α-helix	trans	-76.8	-41.3	-176.2	61.2	-88.5	0	0	0	111.8	S614 L619 V620	S614-Y616 VanDerWaalsContact C-N 3.31Å; S614-Y616 PolarHBondContact O-N 3.01Å; S614-Y616 WeakPolarHBondContact OG-CD1 3.47Å; S614-Y616 WeakPolarHBondContact OG-CE1 3.3Å; S614-Y616 VanDerWaalsContact OG-CZ 3.29Å; Y616-L619 PolarHBondContact O-N 3.42Å; Y616-V620 WeakPolarHBondContact O-CG2 3.49Å; Y616-V620 PolarHBondContact O-N 2.87Å
617	Y	86.6	Confident	89.2	Confident	128 Å²	128	61.9 Å²	61.9	50%	0.502	32%	0.316	S	S	.	.	H	α-helix	trans	-64.9	-40.3	170.6	-69.4	-44.8	0	0	0	111.2	S614 L619 V620 A621	S614-Y617 VanDerWaalsContact OG-CD2 3.23Å; S614-Y617 WeakPolarHBondContact OG-CD2 3.37Å; S614-Y617 PolarHBondContact OG-N 3.19Å; Y617-L619 PolarHBondContact O-N 2.91Å; Y617-V620 PolarHBondContact O-N 3.31Å; Y617-A621 WeakPolarHBondContact O-CB 3.46Å; Y617-A621 PolarHBondContact O-N 3.17Å
618	A	88.8	Confident	88.9	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-58.1	-45.4	176.3	0	0	0	0	0	112.5	M563 M610 S614 A621 M622	M563-A618 HydrophobicContact SD-CB 4.49Å; M610-A618 HydrophobicContact CB-CB 3.91Å; S614-A618 VanDerWaalsContact O-CB 3.26Å; S614-A618 WeakPolarHBondContact O-CB 3.42Å; S614-A618 PolarHBondContact O-N 3.31Å; A618-A621 PolarHBondContact O-N 3.33Å; A618-M622 WeakPolarHBondContact O-CB 3.49Å; A618-M622 VanDerWaalsContact O-CG 3.29Å; A618-M622 WeakPolarHBondContact O-CG 3.35Å; A618-M622 PolarHBondContact O-N 3.49Å
619	L	89.9	Confident	88.7	Confident	83 Å²	83	62 Å²	62	44%	0.435	31%	0.307	S	S	.	.	H	α-helix	trans	-62.4	-47.5	177.2	-74.8	174.5	0	0	0	112.7	F611 W615 Y616 Y617 M622 L623	F611-L619 HydrophobicContact CE1-CD2 4.18Å; F611-L619 HydrophobicContact CE1-CG 4.2Å; F611-L619 HydrophobicContact CZ-CD2 3.97Å; F611-L619 HydrophobicContact CZ-CG 4.39Å; W615-L619 HydrophobicContact CE3-CD1 3.71Å; W615-L619 HydrophobicContact CZ3-CD1 3.86Å; W615-L619 WeakPolarHBondContact O-CG 3.44Å; W615-L619 PolarHBondContact O-N 3.18Å; Y616-L619 PolarHBondContact O-N 3.42Å; Y617-L619 PolarHBondContact O-N 2.91Å; L619-M622 HydrophobicContact CD2-CE 4.12Å; L619-L623 WeakPolarHBondContact O-CB 3.49Å; L619-L623 PolarHBondContact O-N 2.98Å
620	V	89	Confident	88.6	Confident	85 Å²	85	67.2 Å²	67.2	52%	0.515	33%	0.329	S	S	.	.	H	α-helix	trans	-62.8	-43.9	178.5	172.7	0	0	0	0	110.8	Y616 Y617 L623 I624	Y616-V620 WeakPolarHBondContact O-CG2 3.49Å; Y616-V620 PolarHBondContact O-N 2.87Å; Y617-V620 PolarHBondContact O-N 3.31Å; V620-L623 PolarHBondContact O-N 3.07Å; V620-I624 HydrophobicContact CG1-CD1 3.86Å; V620-I624 WeakPolarHBondContact O-CG1 3.22Å; V620-I624 PolarHBondContact O-N 3.05Å
621	A	86.3	Confident	88.6	Confident	19 Å²	19	71 Å²	71	16%	0.157	34%	0.344	C	S	.	.	H	α-helix	trans	-69.1	-40.8	-177.1	0	0	0	0	0	111.7	M567 Y617 A618 I624 A625	M567-A621 HydrophobicContact CE-CB 3.26Å; M567-A621 VanDerWaalsContact CE-O 3.3Å; M567-A621 WeakPolarHBondContact CE-O 3.32Å; Y617-A621 WeakPolarHBondContact O-CB 3.46Å; Y617-A621 PolarHBondContact O-N 3.17Å; A618-A621 PolarHBondContact O-N 3.33Å; A621-I624 PolarHBondContact O-N 2.63Å; A621-A625 WeakPolarHBondContact O-CB 3.22Å; A621-A625 PolarHBondContact O-N 3.32Å
622	M	88	Confident	88.4	Confident	45 Å²	45	67.7 Å²	67.7	22%	0.222	33%	0.33	C	S	.	.	H	α-helix	trans	-63.3	-38.6	172	-74.4	-171.9	-64.5	0	0	112.6	M570 M610 F611 A618 L619 A625 G626	M570-M622 HydrophobicContact CE-CG 4.48Å; M570-M622 HydrophobicContact SD-SD 4.44Å; M610-M622 HydrophobicContact CE-CG 4.01Å; M610-M622 HydrophobicContact CE-SD 3.84Å; F611-M622 HydrophobicContact CE2-CE 3.62Å; F611-M622 HydrophobicContact CZ-CE 3.63Å; A618-M622 WeakPolarHBondContact O-CB 3.49Å; A618-M622 VanDerWaalsContact O-CG 3.29Å; A618-M622 WeakPolarHBondContact O-CG 3.35Å; A618-M622 PolarHBondContact O-N 3.49Å; L619-M622 HydrophobicContact CD2-CE 4.12Å; M622-A625 PolarHBondContact O-N 3.37Å; M622-G626 PolarHBondContact O-N 3.2Å
623	L	89.3	Confident	88.4	Confident	114 Å²	114	66.3 Å²	66.3	60%	0.597	32%	0.322	S	S	*	.	H	α-helix	trans	-62.2	-48.4	175.3	176.9	62.9	0	0	0	111.2	L619 V620 A625 G626 L627	L619-L623 WeakPolarHBondContact O-CB 3.49Å; L619-L623 PolarHBondContact O-N 2.98Å; V620-L623 PolarHBondContact O-N 3.07Å; L623-A625 VanDerWaalsContact C-N 3.34Å; L623-A625 PolarHBondContact O-N 3.29Å; L623-G626 PolarHBondContact O-N 3.08Å; L623-L627 HydrophobicContact CD1-CD1 4.46Å; L623-L627 HydrophobicContact CD1-CG 4.48Å; L623-L627 HydrophobicContact CG-CD1 4.33Å; L623-L627 WeakPolarHBondContact O-CG 3.35Å; L623-L627 PolarHBondContact O-N 3.07Å
624	I	88	Confident	88.6	Confident	92 Å²	92	69.2 Å²	69.2	47%	0.472	33%	0.33	S	S	.	.	H	α-helix	trans	-58.9	-45.7	177.5	-69.1	166.6	0	0	0	110.7	V620 A621 L627 I628	V620-I624 HydrophobicContact CG1-CD1 3.86Å; V620-I624 WeakPolarHBondContact O-CG1 3.22Å; V620-I624 PolarHBondContact O-N 3.05Å; A621-I624 PolarHBondContact O-N 2.63Å; I624-L627 PolarHBondContact O-N 3.35Å; I624-I628 HydrophobicContact CG2-CD1 3.9Å; I624-I628 WeakPolarHBondContact O-CG1 3.5Å; I624-I628 PolarHBondContact O-N 3.18Å
625	A	85.9	Confident	88.7	Confident	2 Å²	2	72.4 Å²	72.4	2%	0.017	34%	0.34	C	S	.	.	H	α-helix	trans	-67.6	-35.9	179.1	0	0	0	0	0	113.4	M567 F571 A621 M622 L623 L627 I628 Y629	M567-A625 HydrophobicContact CE-CB 4.41Å; M567-A625 HydrophobicContact SD-CB 3.48Å; M567-A625 WeakPolarHBondContact SD-CB 3.31Å; F571-A625 HydrophobicContact CE2-CB 3.57Å; F571-A625 HydrophobicContact CZ-CB 3.62Å; A621-A625 WeakPolarHBondContact O-CB 3.22Å; A621-A625 PolarHBondContact O-N 3.32Å; M622-A625 PolarHBondContact O-N 3.37Å; L623-A625 VanDerWaalsContact C-N 3.34Å; L623-A625 PolarHBondContact O-N 3.29Å; A625-L627 VanDerWaalsContact C-N 3.35Å; A625-I628 PolarHBondContact O-N 2.99Å; A625-Y629 WeakPolarHBondContact O-CB 3.33Å; A625-Y629 PolarHBondContact O-N 3.4Å
626	G	88	Confident	88.5	Confident	34 Å²	34	66.4 Å²	66.4	35%	0.351	33%	0.328	S	S	.	.	H	α-helix	trans	-63.4	-38.7	172.1	0	0	0	0	0	112.9	M622 L623 K630	M622-G626 PolarHBondContact O-N 3.2Å; L623-G626 PolarHBondContact O-N 3.08Å; G626-K630 PolarHBondContact O-N 3.42Å
627	L	90.7	Very high	88.5	Confident	112 Å²	112	61 Å²	61	59%	0.586	31%	0.308	S	S	*	.	H	α-helix	trans	-66.2	-42.1	173	-68.8	171.6	0	0	0	111.8	L623 I624 A625 K630 Y631	L623-L627 HydrophobicContact CD1-CD1 4.46Å; L623-L627 HydrophobicContact CD1-CG 4.48Å; L623-L627 HydrophobicContact CG-CD1 4.33Å; L623-L627 WeakPolarHBondContact O-CG 3.35Å; L623-L627 PolarHBondContact O-N 3.07Å; I624-L627 PolarHBondContact O-N 3.35Å; A625-L627 VanDerWaalsContact C-N 3.35Å; L627-K630 PolarHBondContact O-N 3Å; L627-Y631 VanDerWaalsContact O-CB 3.29Å; L627-Y631 WeakPolarHBondContact O-CB 3.21Å; L627-Y631 PolarHBondContact O-N 2.73Å
628	I	89.1	Confident	88.6	Confident	51 Å²	51	57.8 Å²	57.8	26%	0.262	30%	0.297	S	S	.	.	H	α-helix	trans	-61.1	-48.3	174.8	-71.2	167.6	0	0	0	110.7	A179 L182 I624 A625 K630 Y631 I632	A179-I628 HydrophobicContact CB-CG2 4.42Å; L182-I628 HydrophobicContact CD1-CG2 3.81Å; I624-I628 HydrophobicContact CG2-CD1 3.9Å; I624-I628 WeakPolarHBondContact O-CG1 3.5Å; I624-I628 PolarHBondContact O-N 3.18Å; A625-I628 PolarHBondContact O-N 2.99Å; I628-K630 PolarHBondContact O-N 3.14Å; I628-Y631 PolarHBondContact O-N 3.5Å; I628-I632 HydrophobicContact CG2-CD1 3.77Å; I628-I632 WeakPolarHBondContact O-CG1 3.41Å; I628-I632 PolarHBondContact O-N 3.43Å
629	Y	89.3	Confident	88.4	Confident	60 Å²	60	65.8 Å²	65.8	24%	0.235	33%	0.332	C	S	.	.	H	α-helix	trans	-56.9	-50.3	177.3	178.2	-86.7	0	0	0	111.3	E175 F176 A625 Y631 I632 E633	E175-Y629 HydrophobicContact CB-CD2 4.04Å; E175-Y629 HydrophobicContact CB-CE2 3.6Å; F176-Y629 HydrophobicContact CD1-CD2 4.48Å; F176-Y629 AromaticContact CD1-CE2 3.97Å; F176-Y629 HydrophobicContact CD1-CE2 3.97Å; F176-Y629 HydrophobicContact CD2-CE2 4.12Å; F176-Y629 AromaticContact CE1-CE2 3.83Å; F176-Y629 HydrophobicContact CE1-CE2 3.83Å; F176-Y629 AromaticContact CE2-CE2 3.98Å; F176-Y629 HydrophobicContact CE2-CE2 3.98Å; F176-Y629 HydrophobicContact CG-CE2 4.11Å; F176-Y629 AromaticContact CZ-CE2 3.83Å; F176-Y629 HydrophobicContact CZ-CE2 3.83Å; A625-Y629 WeakPolarHBondContact O-CB 3.33Å; A625-Y629 PolarHBondContact O-N 3.4Å; Y629-Y631 VanDerWaalsContact C-N 3.34Å; Y629-Y631 PolarHBondContact O-N 3.49Å; Y629-I632 PolarHBondContact O-N 2.96Å; Y629-E633 VanDerWaalsContact CE1-OE2 3.31Å; Y629-E633 WeakPolarHBondContact CE1-OE2 3.48Å; Y629-E633 WeakPolarHBondContact O-CB 3.39Å; Y629-E633 PolarHBondContact O-N 3.38Å
630	K	89.9	Confident	88.2	Confident	119 Å²	119	66.8 Å²	66.8	52%	0.517	33%	0.334	S	S	.	.	H	α-helix	trans	-66.3	-32.4	179	-81.4	-73.1	166.2	-162	0	113.5	G626 L627 I628 E633 Y634	G626-K630 PolarHBondContact O-N 3.42Å; L627-K630 PolarHBondContact O-N 3Å; I628-K630 PolarHBondContact O-N 3.14Å; K630-E633 WeakPolarHBondContact CD-OE2 3.36Å; K630-E633 WeakPolarHBondContact CE-OE2 3.39Å; K630-E633 IonicContact NZ-OE1 2.76Å; K630-E633 PolarHBondContact NZ-OE1 2.96Å; K630-E633 IonicContact NZ-OE2 2.67Å; K630-E633 PolarHBondContact NZ-OE2 2.87Å; K630-Y634 WeakPolarHBondContact O-CB 3.2Å; K630-Y634 PolarHBondContact O-N 2.82Å
631	Y	90.8	Very high	88.2	Confident	80 Å²	80	67.5 Å²	67.5	31%	0.314	33%	0.328	S	S	.	.	H	α-helix	trans	-65.5	-43.6	173.4	178.1	-94.8	0	0	0	111.9	V519 F521 L627 I628 Y629 Y634 R635	V519-Y631 HydrophobicContact CG1-CE1 4.32Å; F521-Y631 HydrophobicContact CE1-CE1 4.28Å; L627-Y631 VanDerWaalsContact O-CB 3.29Å; L627-Y631 WeakPolarHBondContact O-CB 3.21Å; L627-Y631 PolarHBondContact O-N 2.73Å; I628-Y631 PolarHBondContact O-N 3.5Å; Y629-Y631 VanDerWaalsContact C-N 3.34Å; Y629-Y631 PolarHBondContact O-N 3.49Å; Y631-Y634 PolarHBondContact O-N 3.07Å; Y631-R635 HydrophobicContact CD1-CG 4.38Å; Y631-R635 HydrophobicContact CE1-CG 3.85Å; Y631-R635 HydrophobicContact CE2-CG 4.17Å; Y631-R635 WeakPolarHBondContact O-CG 3.34Å; Y631-R635 PolarHBondContact O-N 3.36Å; Y631-R635 PolarHBondContact OH-NE 2.7Å
632	I	89.6	Confident	88.2	Confident	5 Å²	5	69.8 Å²	69.8	3%	0.026	35%	0.353	C	S	.	.	H	α-helix	trans	-66.1	-43.9	177.3	-63.5	162.3	0	0	0	110.4	I518 V519 I628 Y629 Y634 R635 G636	I518-I632 HydrophobicContact CB-CG2 4.36Å; V519-I632 HydrophobicContact CG2-CG1 4.14Å; I628-I632 HydrophobicContact CG2-CD1 3.77Å; I628-I632 WeakPolarHBondContact O-CG1 3.41Å; I628-I632 PolarHBondContact O-N 3.43Å; Y629-I632 PolarHBondContact O-N 2.96Å; I632-Y634 PolarHBondContact O-N 3.49Å; I632-R635 PolarHBondContact O-N 3.3Å; I632-G636 PolarHBondContact O-N 3.27Å
633	E	88.1	Confident	88.4	Confident	47 Å²	47	71 Å²	71	22%	0.22	36%	0.361	C	S	.	.	H	α-helix	trans	-58	-45.7	176	-164.5	-169	145.5	0	0	111.6	E175 Y629 K630 G636 A637 L648	E175-E633 HydrophobicContact CG-CB 4.28Å; E175-E633 HydrophobicContact CG-CG 4.46Å; Y629-E633 VanDerWaalsContact CE1-OE2 3.31Å; Y629-E633 WeakPolarHBondContact CE1-OE2 3.48Å; Y629-E633 WeakPolarHBondContact O-CB 3.39Å; Y629-E633 PolarHBondContact O-N 3.38Å; K630-E633 WeakPolarHBondContact CD-OE2 3.36Å; K630-E633 WeakPolarHBondContact CE-OE2 3.39Å; K630-E633 IonicContact NZ-OE1 2.76Å; K630-E633 PolarHBondContact NZ-OE1 2.96Å; K630-E633 IonicContact NZ-OE2 2.67Å; K630-E633 PolarHBondContact NZ-OE2 2.87Å; E633-G636 PolarHBondContact O-N 2.75Å; E633-A637 WeakPolarHBondContact O-CB 3.5Å; E633-A637 PolarHBondContact O-N 3.08Å; E633-L648 HydrophobicContact CB-CD2 4.42Å; E633-L648 HydrophobicContact CG-CD2 3.65Å
634	Y	89.8	Confident	88.2	Confident	85 Å²	85	65.7 Å²	65.7	33%	0.333	33%	0.333	S	S	.	.	H	α-helix	trans	-62.1	-46.7	175.9	176.1	-88.1	0	0	0	112.5	K630 Y631 I632 A637 E638 I645 L648	K630-Y634 WeakPolarHBondContact O-CB 3.2Å; K630-Y634 PolarHBondContact O-N 2.82Å; Y631-Y634 PolarHBondContact O-N 3.07Å; I632-Y634 PolarHBondContact O-N 3.49Å; Y634-A637 PolarHBondContact O-N 3.11Å; Y634-E638 WeakPolarHBondContact CE1-OE2 3.43Å; Y634-E638 WeakPolarHBondContact O-CB 3.44Å; Y634-E638 PolarHBondContact O-N 3.39Å; Y634-I645 HydrophobicContact CE2-CG1 3.98Å; Y634-L648 HydrophobicContact CD2-CD1 4.25Å
635	R	87.4	Confident	88.3	Confident	80 Å²	80	67.4 Å²	67.4	30%	0.302	34%	0.342	S	S	.	.	H	α-helix	trans	-69	-33.5	178.9	-74.6	-56.8	-144.3	172.1	8.3	112.8	Y631 I632 E638 K639	Y631-R635 HydrophobicContact CD1-CG 4.38Å; Y631-R635 HydrophobicContact CE1-CG 3.85Å; Y631-R635 HydrophobicContact CE2-CG 4.17Å; Y631-R635 WeakPolarHBondContact O-CG 3.34Å; Y631-R635 PolarHBondContact O-N 3.36Å; Y631-R635 PolarHBondContact OH-NE 2.7Å; I632-R635 PolarHBondContact O-N 3.3Å; R635-E638 WeakPolarHBondContact CD-OE2 3.24Å; R635-E638 IonicContact CZ-OE2 2.75Å; R635-E638 IonicContact NE-OE2 2.74Å; R635-E638 IonicContact NH1-OE1 3.49Å; R635-E638 PolarHBondContact NH1-OE1 2.67Å; R635-E638 IonicContact NH1-OE2 3.41Å; R635-E638 PolarHBondContact NH1-OE2 3.32Å; R635-E638 PolarHBondContact O-N 3.25Å; R635-K639 WeakPolarHBondContact O-CB 3.4Å; R635-K639 PolarHBondContact O-N 3.46Å
636	G	86.4	Confident	88.5	Confident	34 Å²	34	75.3 Å²	75.3	35%	0.351	37%	0.372	S	S	.	.	H	α-helix	trans	-61.7	-48.1	171.8	0	0	0	0	0	111.2	I632 E633 K639 E640	I632-G636 PolarHBondContact O-N 3.27Å; E633-G636 PolarHBondContact O-N 2.75Å; G636-K639 PolarHBondContact O-N 3.04Å; G636-E640 WeakPolarHBondContact O-CB 3.31Å; G636-E640 PolarHBondContact O-N 3.09Å
637	A	87.1	Confident	88.5	Confident	6 Å²	6	73.8 Å²	73.8	5%	0.05	36%	0.355	C	S	.	.	H	α-helix	trans	-61	-43.3	174.9	0	0	0	0	0	113.1	E633 Y634 K639 E640 W641 L648	E633-A637 WeakPolarHBondContact O-CB 3.5Å; E633-A637 PolarHBondContact O-N 3.08Å; Y634-A637 PolarHBondContact O-N 3.11Å; A637-K639 VanDerWaalsContact C-N 3.34Å; A637-K639 PolarHBondContact O-N 3.03Å; A637-E640 PolarHBondContact O-N 3.48Å; A637-W641 WeakPolarHBondContact O-CB 3.39Å; A637-W641 PolarHBondContact O-N 3.43Å; A637-L648 HydrophobicContact CB-CD2 3.93Å; A637-L648 HydrophobicContact CB-CG 3.84Å
638	E	88.4	Confident	88.4	Confident	61 Å²	61	71 Å²	71	29%	0.285	34%	0.341	S	S	.	.	H	α-helix	trans	-62	-40.1	176.1	-171.6	-174.5	168.5	0	0	111.9	Y634 R635 G642	Y634-E638 WeakPolarHBondContact CE1-OE2 3.43Å; Y634-E638 WeakPolarHBondContact O-CB 3.44Å; Y634-E638 PolarHBondContact O-N 3.39Å; R635-E638 WeakPolarHBondContact CD-OE2 3.24Å; R635-E638 IonicContact CZ-OE2 2.75Å; R635-E638 IonicContact NE-OE2 2.74Å; R635-E638 IonicContact NH1-OE1 3.49Å; R635-E638 PolarHBondContact NH1-OE1 2.67Å; R635-E638 IonicContact NH1-OE2 3.41Å; R635-E638 PolarHBondContact NH1-OE2 3.32Å; R635-E638 PolarHBondContact O-N 3.25Å; E638-G642 CarbonylContact O-C 3.6Å; E638-G642 WeakPolarHBondContact O-CA 3.28Å; E638-G642 PolarHBondContact O-N 2.93Å
639	K	85.9	Confident	88.5	Confident	167 Å²	167	72 Å²	72	73%	0.726	35%	0.352	S	S	*	.	H	α-helix	trans	-72.3	-36.4	177.9	-173.8	179.9	177.9	-176.4	0	113.1	R635 G636 A637	R635-K639 WeakPolarHBondContact O-CB 3.4Å; R635-K639 PolarHBondContact O-N 3.46Å; G636-K639 PolarHBondContact O-N 3.04Å; A637-K639 VanDerWaalsContact C-N 3.34Å; A637-K639 PolarHBondContact O-N 3.03Å
640	E	85.8	Confident	88.6	Confident	104 Å²	104	72.1 Å²	72.1	49%	0.486	36%	0.357	S	S	.	.	H	α-helix	trans	-80.1	-35.8	-179.4	-171.9	179.5	-141.2	0	0	112.6	G636 A637 R654	G636-E640 WeakPolarHBondContact O-CB 3.31Å; G636-E640 PolarHBondContact O-N 3.09Å; A637-E640 PolarHBondContact O-N 3.48Å; E640-R654 IonicContact OE1-CZ 3.34Å; E640-R654 IonicContact OE1-NH1 3.35Å; E640-R654 PolarHBondContact OE1-NH1 3.19Å; E640-R654 IonicContact OE2-NH1 3.24Å
641	W	88.4	Confident	88.4	Confident	100 Å²	100	68.7 Å²	68.7	38%	0.379	35%	0.348	S	S	.	.	H	α-helix	trans	-119.4	-1.6	-170.7	-57.3	92.5	0	0	0	115.1	A637 D643 L650	A637-W641 WeakPolarHBondContact O-CB 3.39Å; A637-W641 PolarHBondContact O-N 3.43Å; W641-D643 PolarHBondContact O-N 3.03Å; W641-L650 HydrophobicContact CB-CD1 4.48Å; W641-L650 HydrophobicContact CD2-CB 3.88Å; W641-L650 HydrophobicContact CD2-CD1 4Å; W641-L650 HydrophobicContact CE3-CB 4Å; W641-L650 HydrophobicContact CE3-CD1 3.6Å; W641-L650 HydrophobicContact CE3-CG 4.4Å; W641-L650 HydrophobicContact CG-CB 4.43Å; W641-L650 HydrophobicContact CG-CD1 4.38Å; W641-L650 HydrophobicContact CH2-CB 4.29Å; W641-L650 HydrophobicContact CZ2-CB 4.19Å; W641-L650 HydrophobicContact CZ3-CB 4.2Å; W641-L650 HydrophobicContact CZ3-CD1 4.18Å
642	G	87.4	Confident	88.3	Confident	67 Å²	67	67.9 Å²	67.9	69%	0.691	36%	0.357	S	S	*	.	S	Bend	trans	79.8	-20.3	179.9	0	0	0	0	0	115.7	E638	E638-G642 CarbonylContact O-C 3.6Å; E638-G642 WeakPolarHBondContact O-CA 3.28Å; E638-G642 PolarHBondContact O-N 2.93Å
643	D	90.6	Very high	88.3	Confident	72 Å²	72	70 Å²	70	39%	0.385	38%	0.375	S	S	.	.			trans	-131.5	127	174.3	169.1	7.6	0	0	0	108.8	W641 I645 R646 G647	W641-D643 PolarHBondContact O-N 3.03Å; D643-I645 PolarHBondContact OD1-N 3.43Å; D643-R646 HydrophobicContact CB-CB 4.2Å; D643-R646 WeakPolarHBondContact OD2-CB 3.24Å; D643-G647 VanDerWaalsContact O-CA 3.23Å; D643-G647 WeakPolarHBondContact O-CA 3.32Å; D643-G647 PolarHBondContact O-N 3.13Å
644	G	86.9	Confident	88.4	Confident	1 Å²	1	73.4 Å²	73.4	1%	0.01	39%	0.386	C	S	.	.	H	α-helix	trans	-65.3	-47.3	-178.1	0	0	0	0	0	113.8	G647 L648	G644-G647 PolarHBondContact O-N 3.08Å; G644-L648 VanDerWaalsContact O-CG 3.27Å; G644-L648 WeakPolarHBondContact O-CG 3.42Å; G644-L648 PolarHBondContact O-N 2.94Å
645	I	89.4	Confident	88.2	Confident	129 Å²	129	73.2 Å²	73.2	66%	0.662	39%	0.386	S	S	*	.	H	α-helix	trans	-71.8	-46.2	-174.3	-58.2	-177.3	0	0	0	110.3	Y634 D643	Y634-I645 HydrophobicContact CE2-CG1 3.98Å; D643-I645 PolarHBondContact OD1-N 3.43Å
646	R	89.6	Confident	88.2	Confident	168 Å²	168	71.2 Å²	71.2	63%	0.634	39%	0.386	S	S	*	.	H	α-helix	trans	-67.6	-39.4	176	-171.5	174.9	178.5	169.3	-1.9	111.3	D643 L648 S649 L650	D643-R646 HydrophobicContact CB-CB 4.2Å; D643-R646 WeakPolarHBondContact OD2-CB 3.24Å; R646-L648 VanDerWaalsContact C-N 3.34Å; R646-L648 PolarHBondContact O-N 3.12Å; R646-S649 PolarHBondContact O-N 3.23Å; R646-S649 VanDerWaalsContact O-N 3.1Å; R646-S649 PolarHBondContact O-OG 3.02Å; R646-L650 HydrophobicContact CG-CD1 4.08Å; R646-L650 HydrophobicContact CG-CG 4.42Å; R646-L650 WeakPolarHBondContact O-CG 3.36Å; R646-L650 PolarHBondContact O-N 2.72Å
647	G	88.9	Confident	88.2	Confident	1 Å²	1	71.3 Å²	71.3	1%	0.01	38%	0.379	C	S	.	.	H	α-helix	trans	-58.5	-40.7	177	0	0	0	0	0	113.3	D643 G644 S649 L650 S651	D643-G647 VanDerWaalsContact O-CA 3.23Å; D643-G647 WeakPolarHBondContact O-CA 3.32Å; D643-G647 PolarHBondContact O-N 3.13Å; G644-G647 PolarHBondContact O-N 3.08Å; G647-S649 VanDerWaalsContact C-N 3.3Å; G647-S649 PolarHBondContact O-N 3.06Å; G647-L650 PolarHBondContact O-N 2.95Å; G647-S651 WeakPolarHBondContact O-CB 3.49Å; G647-S651 PolarHBondContact O-N 3.4Å
648	L	88.7	Confident	88.2	Confident	54 Å²	54	74.7 Å²	74.7	28%	0.283	40%	0.396	S	S	.	.	H	α-helix	trans	-58.3	-43.3	174.1	-73.5	169.4	0	0	0	111.5	E633 Y634 A637 G644 R646 A652	E633-L648 HydrophobicContact CB-CD2 4.42Å; E633-L648 HydrophobicContact CG-CD2 3.65Å; Y634-L648 HydrophobicContact CD2-CD1 4.25Å; A637-L648 HydrophobicContact CB-CD2 3.93Å; A637-L648 HydrophobicContact CB-CG 3.84Å; G644-L648 VanDerWaalsContact O-CG 3.27Å; G644-L648 WeakPolarHBondContact O-CG 3.42Å; G644-L648 PolarHBondContact O-N 2.94Å; R646-L648 VanDerWaalsContact C-N 3.34Å; R646-L648 PolarHBondContact O-N 3.12Å; L648-A652 WeakPolarHBondContact O-CB 3.45Å; L648-A652 PolarHBondContact O-N 3.02Å
649	S	89.8	Confident	87.9	Confident	71 Å²	71	77 Å²	77	50%	0.497	40%	0.401	S	S	.	.	H	α-helix	trans	-68	-36.7	177.8	75.3	0	0	0	0	113.1	R646 G647 A653	R646-S649 PolarHBondContact O-N 3.23Å; R646-S649 VanDerWaalsContact O-N 3.1Å; R646-S649 PolarHBondContact O-OG 3.02Å; G647-S649 VanDerWaalsContact C-N 3.3Å; G647-S649 PolarHBondContact O-N 3.06Å; S649-A653 WeakPolarHBondContact O-CB 3.48Å; S649-A653 PolarHBondContact O-N 2.78Å
650	L	91.3	Very high	87.8	Confident	64 Å²	64	73.5 Å²	73.5	34%	0.335	39%	0.39	S	S	.	.	H	α-helix	trans	-71.4	-43.1	178.1	-70	171.4	0	0	0	111.9	W641 R646 G647 A653 R654	W641-L650 HydrophobicContact CB-CD1 4.48Å; W641-L650 HydrophobicContact CD2-CB 3.88Å; W641-L650 HydrophobicContact CD2-CD1 4Å; W641-L650 HydrophobicContact CE3-CB 4Å; W641-L650 HydrophobicContact CE3-CD1 3.6Å; W641-L650 HydrophobicContact CE3-CG 4.4Å; W641-L650 HydrophobicContact CG-CB 4.43Å; W641-L650 HydrophobicContact CG-CD1 4.38Å; W641-L650 HydrophobicContact CH2-CB 4.29Å; W641-L650 HydrophobicContact CZ2-CB 4.19Å; W641-L650 HydrophobicContact CZ3-CB 4.2Å; W641-L650 HydrophobicContact CZ3-CD1 4.18Å; R646-L650 HydrophobicContact CG-CD1 4.08Å; R646-L650 HydrophobicContact CG-CG 4.42Å; R646-L650 WeakPolarHBondContact O-CG 3.36Å; R646-L650 PolarHBondContact O-N 2.72Å; G647-L650 PolarHBondContact O-N 2.95Å; L650-A653 PolarHBondContact O-N 3.46Å; L650-R654 WeakPolarHBondContact O-CB 3.26Å; L650-R654 PolarHBondContact O-N 2.65Å
651	S	87.1	Confident	87.6	Confident	47 Å²	47	75 Å²	75	33%	0.329	40%	0.397	S	S	.	.	H	α-helix	trans	-62	-45.6	175.2	-174.9	0	0	0	0	111.3	G647 A653 R654 Y655	G647-S651 WeakPolarHBondContact O-CB 3.49Å; G647-S651 PolarHBondContact O-N 3.4Å; S651-A653 PolarHBondContact O-N 3.4Å; S651-R654 PolarHBondContact O-N 2.88Å; S651-Y655 WeakPolarHBondContact O-CB 3.34Å; S651-Y655 PolarHBondContact O-N 3.13Å
652	A	88.3	Confident	86.8	Confident	62 Å²	62	74.6 Å²	74.6	51%	0.512	40%	0.4	S	S	.	.	H	α-helix	trans	-60.3	-41.4	174.5	0	0	0	0	0	112.8	L648 A656	L648-A652 WeakPolarHBondContact O-CB 3.45Å; L648-A652 PolarHBondContact O-N 3.02Å; A652-A656 WeakPolarHBondContact O-CB 3.38Å; A652-A656 PolarHBondContact O-N 3.02Å; A652-A656 VanDerWaalsContact O-N 3.08Å
653	A	90.3	Very high	85.7	Confident	49 Å²	49	72.9 Å²	72.9	41%	0.405	38%	0.382	S	S	.	.	H	α-helix	trans	-65.5	-46.9	176.3	0	0	0	0	0	112.1	S649 L650 S651 Y655 A656 L657	S649-A653 WeakPolarHBondContact O-CB 3.48Å; S649-A653 PolarHBondContact O-N 2.78Å; L650-A653 PolarHBondContact O-N 3.46Å; S651-A653 PolarHBondContact O-N 3.4Å; A653-Y655 PolarHBondContact O-N 3Å; A653-A656 PolarHBondContact O-N 3.13Å; A653-L657 WeakPolarHBondContact O-CG 3.14Å; A653-L657 PolarHBondContact O-N 2.68Å
654	R	89.1	Confident	84.3	Confident	119 Å²	119	74.5 Å²	74.5	45%	0.449	40%	0.397	S	S	.	.	H	α-helix	trans	-58.5	-46.9	175.7	171.4	-179.5	159.4	-155.3	-5.1	111.7	E640 L650 S651 A656 L657 L658	E640-R654 IonicContact OE1-CZ 3.34Å; E640-R654 IonicContact OE1-NH1 3.35Å; E640-R654 PolarHBondContact OE1-NH1 3.19Å; E640-R654 IonicContact OE2-NH1 3.24Å; L650-R654 WeakPolarHBondContact O-CB 3.26Å; L650-R654 PolarHBondContact O-N 2.65Å; S651-R654 PolarHBondContact O-N 2.88Å; R654-A656 VanDerWaalsContact C-N 3.33Å; R654-A656 PolarHBondContact O-N 2.88Å; R654-L657 PolarHBondContact O-N 3.45Å; R654-L658 HydrophobicContact CG-CD1 4Å; R654-L658 WeakPolarHBondContact O-CG 3.25Å; R654-L658 PolarHBondContact O-N 3.24Å
655	Y	84.9	Confident	83.2	Confident	81 Å²	81	79.8 Å²	79.8	32%	0.318	43%	0.431	S	S	.	.	H	α-helix	trans	-62.2	-40.8	179.2	-173.9	-90.8	0	0	0	111.8	T584 S651 A653 R659	T584-Y655 WeakPolarHBondContact CA-OH 3.49Å; T584-Y655 WeakPolarHBondContact CB-OH 3.44Å; T584-Y655 HydrophobicContact CG2-CE2 4.24Å; T584-Y655 PolarHBondContact OG1-OH 3.43Å; S651-Y655 WeakPolarHBondContact O-CB 3.34Å; S651-Y655 PolarHBondContact O-N 3.13Å; A653-Y655 PolarHBondContact O-N 3Å; Y655-R659 PolarHBondContact O-N 3.46Å
656	A	87.1	Confident	81.7	Confident	38 Å²	38	81.7 Å²	81.7	31%	0.314	44%	0.436	S	S	.	.	H	α-helix	trans	-64.1	-38.5	175	0	0	0	0	0	112.7	A652 A653 R654 L660	A652-A656 WeakPolarHBondContact O-CB 3.38Å; A652-A656 PolarHBondContact O-N 3.02Å; A652-A656 VanDerWaalsContact O-N 3.08Å; A653-A656 PolarHBondContact O-N 3.13Å; R654-A656 VanDerWaalsContact C-N 3.33Å; R654-A656 PolarHBondContact O-N 2.88Å; A656-L660 WeakPolarHBondContact O-CG 3.39Å; A656-L660 PolarHBondContact O-N 3.48Å
657	L	88.1	Confident	80.4	Confident	37 Å²	37	76.5 Å²	76.5	19%	0.194	42%	0.424	C	S	.	.	H	α-helix	trans	-68.8	-47.1	178.2	-72.7	169.4	0	0	0	112.7	A653 R654 R659 L660 E661 L763 L766	A653-L657 WeakPolarHBondContact O-CG 3.14Å; A653-L657 PolarHBondContact O-N 2.68Å; R654-L657 PolarHBondContact O-N 3.45Å; L657-R659 VanDerWaalsContact C-N 3.27Å; L657-R659 PolarHBondContact O-N 3.36Å; L657-L660 WeakPolarHBondContact O-CB 3.43Å; L657-L660 PolarHBondContact O-N 3.11Å; L657-E661 PolarHBondContact O-N 2.89Å; L657-L763 HydrophobicContact CD1-CD2 3.74Å; L657-L763 HydrophobicContact CD1-CG 4.22Å; L657-L766 HydrophobicContact CD2-CB 3.6Å; L657-L766 HydrophobicContact CD2-CD2 4.24Å
658	L	86.1	Confident	79.3	Confident	77 Å²	77	79.5 Å²	79.5	40%	0.403	44%	0.437	S	S	.	.	H	α-helix	trans	-59.2	-39.3	177.6	-70.7	170	0	0	0	111.7	R654 L660 E661	R654-L658 HydrophobicContact CG-CD1 4Å; R654-L658 WeakPolarHBondContact O-CG 3.25Å; R654-L658 PolarHBondContact O-N 3.24Å; L658-L660 VanDerWaalsContact C-N 3.29Å; L658-L660 PolarHBondContact O-N 2.64Å; L658-E661 WeakPolarHBondContact O-CB 3.34Å; L658-E661 PolarHBondContact O-N 3.47Å
659	R	82.4	Confident	78.9	Confident	108 Å²	108	79.8 Å²	79.8	41%	0.408	44%	0.438	S	S	.	.	H	α-helix	trans	-68.9	-24.6	176.4	-168.6	-176.3	62.6	180	-3.3	113.5	L582 Y655 L657 E661	L582-R659 VanDerWaalsContact O-CD 3.25Å; L582-R659 WeakPolarHBondContact O-CD 3.18Å; Y655-R659 PolarHBondContact O-N 3.46Å; L657-R659 VanDerWaalsContact C-N 3.27Å; L657-R659 PolarHBondContact O-N 3.36Å; R659-E661 VanDerWaalsContact C-N 3.26Å
660	L	83.1	Confident	78.7	Confident	95 Å²	95	77.6 Å²	77.6	50%	0.497	42%	0.419	S	S	.	.	H	α-helix	trans	-74.1	-18.4	174.5	-75.5	166.4	0	0	0	112.5	A656 L657 L658	A656-L660 WeakPolarHBondContact O-CG 3.39Å; A656-L660 PolarHBondContact O-N 3.48Å; L657-L660 WeakPolarHBondContact O-CB 3.43Å; L657-L660 PolarHBondContact O-N 3.11Å; L658-L660 VanDerWaalsContact C-N 3.29Å; L658-L660 PolarHBondContact O-N 2.64Å
661	E	82.5	Confident	78.6	Confident	134 Å²	134	77.4 Å²	77.4	63%	0.626	41%	0.414	S	S	*	.	H	α-helix	trans	-85.9	-32	-176.6	-165.9	170.4	-177.5	0	0	113.2	L657 L658 R659 G663	L657-E661 PolarHBondContact O-N 2.89Å; L658-E661 WeakPolarHBondContact O-CB 3.34Å; L658-E661 PolarHBondContact O-N 3.47Å; R659-E661 VanDerWaalsContact C-N 3.26Å; E661-G663 VanDerWaalsContact C-N 3.26Å; E661-G663 PolarHBondContact O-N 3.18Å
662	E	71.5	Confident	78.8	Confident	92 Å²	92	75.3 Å²	75.3	43%	0.43	40%	0.399	S	S	.	.	S	Bend	trans	-74.2	-8.4	179.4	-68.4	-168.3	129.7	0	0	114.7	P585 R588	P585-E662 WeakPolarHBondContact CA-OE2 3.39Å; R588-E662 IonicContact CZ-OE1 3.59Å; R588-E662 IonicContact NH2-OE1 3.7Å; R588-E662 PolarHBondContact NH2-OE1 2.71Å
663	G	64.3	Low	79	Confident	32 Å²	32	74.7 Å²	74.7	33%	0.33	39%	0.386	S	S	.	.	S	Bend	trans	-106.3	144.3	-176.8	0	0	0	0	0	113.2	E661	E661-G663 VanDerWaalsContact C-N 3.26Å; E661-G663 PolarHBondContact O-N 3.18Å
664	P	61.3	Low	79.3	Confident	106 Å²	106	72.4 Å²	72.4	69%	0.688	37%	0.366	S	S	*	.			trans	-61	130.6	169	26.8	-33.3	0	0	0	109.2	H666	P664-H666 PolarHBondContact O-N 2.86Å; P664-H666 PolarHBondContact O-ND1 2.9Å; P664-H666 VanDerWaalsContact O-ND1 3.12Å
665	P	62.5	Low	79.6	Confident	112 Å²	112	66.7 Å²	66.7	73%	0.727	35%	0.345	S	S	*	.			trans	-56.9	132	-179.2	23.1	-33.2	0	0	0	109.2	T667	P665-T667 VanDerWaalsContact C-N 3.32Å; P665-T667 PolarHBondContact O-N 3.18Å
666	H	58.6	Low	80.1	Confident	168 Å²	168	62.9 Å²	62.9	78%	0.778	33%	0.33	S	S	*	.			trans	-73	80.9	-167.7	-57.3	-19.6	0	0	0	112.2	P664 K668	P664-H666 PolarHBondContact O-N 2.86Å; P664-H666 PolarHBondContact O-ND1 2.9Å; P664-H666 VanDerWaalsContact O-ND1 3.12Å; H666-K668 PolarHBondContact O-N 2.93Å
667	T	62	Low	80.5	Confident	59 Å²	59	62 Å²	62	36%	0.362	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-25.6	-176.4	47.6	0	0	0	0	114.5	P665 N669 M919	P665-T667 VanDerWaalsContact C-N 3.32Å; P665-T667 PolarHBondContact O-N 3.18Å; T667-N669 PolarHBondContact O-N 2.72Å; T667-N669 VanDerWaalsContact O-N 3.11Å; T667-M919 VanDerWaalsContact CB-SD 3.57Å; T667-M919 HydrophobicContact CG2-SD 4.43Å; T667-M919 PolarHBondContact OG1-SD 2.87Å
668	K	67	Low	80.7	Confident	65 Å²	65	60.6 Å²	60.6	28%	0.283	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.1	-174.9	-66.6	-163.9	169.2	-165	0	115.1	H666 M919 H920 L921 E925 V1110 T1112	H666-K668 PolarHBondContact O-N 2.93Å; K668-M919 WeakPolarHBondContact CE-O 3.34Å; K668-H920 PolarHBondContact NZ-O 3.43Å; K668-L921 HydrophobicContact CD-CD2 3.76Å; K668-L921 HydrophobicContact CG-CD2 3.97Å; K668-E925 IonicContact NZ-OE1 3.46Å; K668-E925 PolarHBondContact NZ-OE1 2.72Å; K668-E925 IonicContact NZ-OE2 3.27Å; K668-E925 PolarHBondContact NZ-OE2 2.88Å; K668-E925 VanDerWaalsContact NZ-OE2 3.15Å; K668-V1110 CarbonylContact C-O 3.49Å; K668-T1112 PolarHBondContact O-OG1 2.93Å
669	N	79.6	Confident	80.8	Confident	59 Å²	59	64.8 Å²	64.8	32%	0.316	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-143.2	80.3	178.1	-84.9	-52.3	0	0	0	111.2	T667 T1112 I1113	T667-N669 PolarHBondContact O-N 2.72Å; T667-N669 VanDerWaalsContact O-N 3.11Å; N669-T1112 PolarHBondContact ND2-OG1 2.99Å; N669-T1112 PolarHBondContact OD1-N 2.75Å; N669-T1112 PolarHBondContact OD1-OG1 2.84Å; N669-T1112 VanDerWaalsContact OD1-OG1 3.09Å; N669-I1113 WeakPolarHBondContact OD1-CB 3.14Å; N669-I1113 PolarHBondContact OD1-N 2.99Å
670	W	86.4	Confident	81.1	Confident	25 Å²	25	60.8 Å²	60.8	10%	0.095	31%	0.311	C	S	.	.			trans	-60.3	143.6	175.8	-172.5	92.4	0	0	0	112.3	P672 N769 T770 A804 M837 L840 E1109 V1110 I1111	W670-P672 HydrophobicContact CH2-CB 3.63Å; W670-P672 HydrophobicContact CH2-CG 4.31Å; W670-P672 HydrophobicContact CZ2-CB 4.26Å; W670-P672 HydrophobicContact CZ3-CB 4.04Å; W670-P672 HydrophobicContact CZ3-CG 4.23Å; W670-N769 PolarHBondContact NE1-ND2 3.3Å; W670-T770 VanDerWaalsContact CZ2-OG1 3.3Å; W670-T770 WeakPolarHBondContact CZ2-OG1 3.5Å; W670-A804 HydrophobicContact CH2-CB 4.45Å; W670-A804 HydrophobicContact CZ2-CB 3.88Å; W670-M837 HydrophobicContact CH2-CG 4.12Å; W670-M837 HydrophobicContact CH2-SD 3.43Å; W670-M837 WeakPolarHBondContact CH2-SD 3.47Å; W670-M837 HydrophobicContact CZ2-SD 4.04Å; W670-M837 HydrophobicContact CZ3-CG 4.01Å; W670-M837 HydrophobicContact CZ3-SD 3.92Å; W670-L840 HydrophobicContact CE3-CD2 3.82Å; W670-L840 HydrophobicContact CZ3-CD2 4.01Å; W670-E1109 HydrophobicContact CB-CB 4.41Å; W670-E1109 HydrophobicContact CD2-CB 4.4Å; W670-E1109 HydrophobicContact CD2-CG 3.94Å; W670-E1109 HydrophobicContact CG-CB 4.11Å; W670-E1109 HydrophobicContact CG-CG 3.89Å; W670-E1109 HydrophobicContact CZ2-CG 4.32Å; W670-V1110 PolarHBondContact N-O 3.09Å; W670-I1111 HydrophobicContact CB-CG1 3.94Å; W670-I1111 HydrophobicContact CE3-CD1 4.18Å
671	R	88.6	Confident	81.2	Confident	60 Å²	60	60.5 Å²	60.5	23%	0.226	31%	0.31	C	S	.	.			trans	-143.6	139.7	171.4	-74.3	-62.9	-172.7	-80.5	5.5	108.6	Q673 N769 I1113 S1115	R671-Q673 PolarHBondContact O-N 2.91Å; R671-N769 PolarHBondContact O-ND2 2.82Å; R671-I1113 PolarHBondContact NH1-O 2.97Å; R671-I1113 PolarHBondContact NH2-O 2.89Å; R671-I1113 VanDerWaalsContact NH2-O 3.09Å; R671-S1115 VanDerWaalsContact NH2-N 3.17Å; R671-S1115 PolarHBondContact NH2-O 3.41Å; R671-S1115 PolarHBondContact NH2-OG 2.73Å
672	P	91.5	Very high	81.1	Confident	3 Å²	3	62.5 Å²	62.5	2%	0.019	32%	0.319	C	S	.	.			trans	-70.7	121.8	-177.4	26.3	-32.5	0	0	0	110.8	W670 L674 K699 L841 L844	W670-P672 HydrophobicContact CH2-CB 3.63Å; W670-P672 HydrophobicContact CH2-CG 4.31Å; W670-P672 HydrophobicContact CZ2-CB 4.26Å; W670-P672 HydrophobicContact CZ3-CB 4.04Å; W670-P672 HydrophobicContact CZ3-CG 4.23Å; P672-L674 HydrophobicContact CB-CD2 4.16Å; P672-K699 PolarHBondContact O-NZ 3.33Å; P672-L841 HydrophobicContact CG-CD2 4.42Å; P672-L844 HydrophobicContact CG-CD1 4.03Å
673	Q	92.8	Very high	81.6	Confident	50 Å²	50	64.2 Å²	64.2	23%	0.234	33%	0.331	C	S	.	.			trans	-108.7	112.9	167.4	-51.1	-58.4	-0.7	0	0	107.3	R671 L704 N769 T770	R671-Q673 PolarHBondContact O-N 2.91Å; Q673-L704 HydrophobicContact CB-CB 4.25Å; Q673-N769 PolarHBondContact N-OD1 3.12Å; Q673-N769 PolarHBondContact O-N 2.8Å; Q673-N769 PolarHBondContact O-OD1 3.31Å; Q673-T770 PolarHBondContact O-N 3.31Å
674	L	95.3	Very high	82.6	Confident	0 Å²	0	64 Å²	64	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	128.9	-161.8	-58.6	174.3	0	0	0	111.9	P672 V676 T695 L698 K699 L704 T705 I706 T770 L806	P672-L674 HydrophobicContact CB-CD2 4.16Å; L674-V676 HydrophobicContact CB-CG2 4.09Å; L674-T695 HydrophobicContact CD1-CG2 3.91Å; L674-L698 HydrophobicContact CD1-CD2 4.24Å; L674-L698 HydrophobicContact CD2-CD2 4.47Å; L674-K699 HydrophobicContact CD1-CD 3.78Å; L674-K699 HydrophobicContact CD1-CG 3.51Å; L674-K699 HydrophobicContact CG-CD 4.07Å; L674-K699 HydrophobicContact CG-CG 4.3Å; L674-L704 PolarHBondContact N-O 2.96Å; L674-T705 CarbonylContact O-C 3.49Å; L674-T705 WeakPolarHBondContact O-CA 3.39Å; L674-I706 PolarHBondContact O-N 3.49Å; L674-T770 CarbonylContact C-O 3.19Å; L674-T770 WeakPolarHBondContact CA-O 3.43Å; L674-T770 HydrophobicContact CD2-CG2 3.73Å; L674-L806 HydrophobicContact CD2-CD1 4.17Å
675	L	96.4	Very high	83.8	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	112	152.4	173	63.2	0	0	0	107.6	L677 I706 L757 I758 H768 T770 V771 L772	L675-L677 HydrophobicContact CD2-CD2 4.25Å; L675-L677 HydrophobicContact CG-CD2 4.22Å; L675-L677 HydrophobicContact CG-CG 4.46Å; L675-I706 CarbonylContact C-O 3.57Å; L675-I706 WeakPolarHBondContact CA-O 3.44Å; L675-I706 HydrophobicContact CD1-CB 4.08Å; L675-I706 HydrophobicContact CD1-CG2 3.85Å; L675-L757 HydrophobicContact CD2-CB 4.49Å; L675-I758 HydrophobicContact CD2-CG1 4.28Å; L675-H768 HydrophobicContact CB-CB 3.86Å; L675-H768 WeakPolarHBondContact CB-CD2 3.16Å; L675-H768 WeakPolarHBondContact CD2-NE2 3.1Å; L675-T770 PolarHBondContact N-O 3.44Å; L675-V771 CarbonylContact O-C 3.59Å; L675-V771 WeakPolarHBondContact O-CA 3.37Å; L675-L772 PolarHBondContact O-N 2.9Å
676	V	95.9	Very high	85	Confident	0 Å²	0	59 Å²	59	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	111.8	-179.2	-170	0	0	0	0	108.3	L674 V678 L691 L692 T695 T705 I706 V707 G708 L772	L674-V676 HydrophobicContact CB-CG2 4.09Å; V676-V678 HydrophobicContact CG1-CG2 4.02Å; V676-V678 PolarHBondContact O-N 3.35Å; V676-L691 HydrophobicContact CG1-CD2 3.67Å; V676-L691 HydrophobicContact CG1-CG 3.77Å; V676-L692 HydrophobicContact CG1-CD2 4.34Å; V676-T695 HydrophobicContact CG2-CG2 3.75Å; V676-T695 WeakPolarHBondContact CG2-OG1 3.18Å; V676-T705 HydrophobicContact CG2-CG2 4.2Å; V676-I706 PolarHBondContact N-O 3.26Å; V676-V707 HydrophobicContact CB-CG2 4.5Å; V676-G708 PolarHBondContact O-N 2.9Å; V676-L772 HydrophobicContact CG1-CD2 4.18Å; V676-L772 HydrophobicContact CG1-CG 4.39Å; V676-L772 HydrophobicContact CG2-CB 4.43Å; V676-L772 HydrophobicContact CG2-CD2 4.18Å
677	L	94.6	Very high	86.2	Confident	19 Å²	19	54.1 Å²	54.1	10%	0.099	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	111.7	179.1	-67	174.9	0	0	0	109.7	L675 L691 V754 L757 V771 L772 V773 L794	L675-L677 HydrophobicContact CD2-CD2 4.25Å; L675-L677 HydrophobicContact CG-CD2 4.22Å; L675-L677 HydrophobicContact CG-CG 4.46Å; L677-L691 WeakPolarHBondContact O-CD2 3.43Å; L677-V754 HydrophobicContact CD1-CG1 3.91Å; L677-L757 HydrophobicContact CD2-CD1 4.11Å; L677-V771 HydrophobicContact CD1-CG1 3.68Å; L677-V771 HydrophobicContact CG-CG1 4.2Å; L677-L772 PolarHBondContact N-O 3.1Å; L677-V773 HydrophobicContact CB-CG2 4.36Å; L677-L794 HydrophobicContact CD1-CD1 3.78Å; L677-L794 HydrophobicContact CD1-CG 4.38Å
678	V	92.6	Very high	87.3	Confident	9 Å²	9	53.2 Å²	53.2	6%	0.055	26%	0.257	C	S	.	.			trans	-111.2	133.5	-176.1	179.6	0	0	0	0	109.6	V676 V686 L691 L692 V707 G708 S709	V676-V678 HydrophobicContact CG1-CG2 4.02Å; V676-V678 PolarHBondContact O-N 3.35Å; V678-V686 HydrophobicContact CG1-CB 4.17Å; V678-V686 HydrophobicContact CG1-CG1 3.41Å; V678-V686 VanDerWaalsContact CG1-CG1 3.41Å; V678-V686 HydrophobicContact CG1-CG2 3.81Å; V678-L691 HydrophobicContact CG2-CD2 4.49Å; V678-L692 HydrophobicContact CG2-CD2 4.21Å; V678-V707 HydrophobicContact CB-CG1 4.33Å; V678-V707 HydrophobicContact CG2-CG1 3.68Å; V678-G708 PolarHBondContact N-O 3.06Å; V678-S709 PolarHBondContact O-OG 3.41Å
679	R	88.4	Confident	88.4	Confident	164 Å²	164	52.4 Å²	52.4	62%	0.619	26%	0.259	S	S	*	.			trans	-91.5	134.8	170.5	-67.3	-178.2	67.3	177.4	-0.5	110.2	V687	R679-V687 HydrophobicContact CB-CG2 4.43Å; R679-V687 PolarHBondContact O-N 3.47Å
680	V	88.3	Confident	88.9	Confident	24 Å²	24	51.8 Å²	51.8	15%	0.145	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-103.2	148.1	167.8	-93.8	0	0	0	0	109.7	N685 V686 S709 L711	V680-N685 CarbonylContact C-O 3.43Å; V680-N685 WeakPolarHBondContact CA-O 3.25Å; V680-V686 HydrophobicContact CG1-CG2 4.08Å; V680-S709 WeakPolarHBondContact CG2-OG 3.31Å; V680-L711 HydrophobicContact CG2-CD2 3.53Å
681	D	84.9	Confident	89.2	Confident	90 Å²	90	50.9 Å²	50.9	48%	0.481	25%	0.251	S	S	.	.			trans	-84.3	176.7	174.6	-153.8	-10.2	0	0	0	111.4	D683 Q684 N685 V687	D681-D683 PolarHBondContact O-N 2.65Å; D681-Q684 WeakPolarHBondContact O-CA 3.43Å; D681-Q684 PolarHBondContact O-N 3.24Å; D681-N685 PolarHBondContact N-O 2.85Å; D681-V687 HydrophobicContact CB-CG2 4.09Å
682	Q	81.1	Confident	89.4	Confident	175 Å²	175	48 Å²	48	82%	0.818	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-38.8	177.1	-59.9	-175.9	6.4	0	0	111.9	Q684	Q682-Q684 PolarHBondContact O-N 2.97Å; Q682-Q684 VanDerWaalsContact O-N 3.15Å; Q682-Q684 PolarHBondContact O-NE2 3.2Å; Q682-Q684 VanDerWaalsContact O-NE2 3.08Å
683	D	81.5	Confident	89.4	Confident	128 Å²	128	48 Å²	48	68%	0.684	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	5.9	174.7	-68.6	-31.2	0	0	0	114.5	D681 N685	D681-D683 PolarHBondContact O-N 2.65Å; D683-N685 PolarHBondContact O-N 2.74Å
684	Q	84.8	Confident	89.5	Confident	27 Å²	27	45.9 Å²	45.9	13%	0.126	23%	0.23	C	C	.	.	S	Bend	trans	61.2	24.5	-176.9	-48.1	-56.1	-48.5	0	0	114.2	D681 Q682 A725 S728	D681-Q684 WeakPolarHBondContact O-CA 3.43Å; D681-Q684 PolarHBondContact O-N 3.24Å; Q682-Q684 PolarHBondContact O-N 2.97Å; Q682-Q684 VanDerWaalsContact O-N 3.15Å; Q682-Q684 PolarHBondContact O-NE2 3.2Å; Q682-Q684 VanDerWaalsContact O-NE2 3.08Å; Q684-A725 HydrophobicContact CB-CB 4.37Å; Q684-S728 WeakPolarHBondContact O-CB 3.46Å; Q684-S728 PolarHBondContact O-OG 3.27Å
685	N	86.8	Confident	89.4	Confident	93 Å²	93	45.9 Å²	45.9	50%	0.497	23%	0.231	S	C	.	.			trans	-94.6	142.3	173.6	-70.2	-50.7	0	0	0	110.9	V680 D681 D683 V687	V680-N685 CarbonylContact C-O 3.43Å; V680-N685 WeakPolarHBondContact CA-O 3.25Å; D681-N685 PolarHBondContact N-O 2.85Å; D683-N685 PolarHBondContact O-N 2.74Å; N685-V687 PolarHBondContact O-N 3.44Å
686	V	87.6	Confident	89.2	Confident	21 Å²	21	46.3 Å²	46.3	13%	0.127	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-72.5	122.5	-179.8	166.3	0	0	0	0	110.9	V678 V680 H688 I729 L732	V678-V686 HydrophobicContact CG1-CB 4.17Å; V678-V686 HydrophobicContact CG1-CG1 3.41Å; V678-V686 VanDerWaalsContact CG1-CG1 3.41Å; V678-V686 HydrophobicContact CG1-CG2 3.81Å; V680-V686 HydrophobicContact CG1-CG2 4.08Å; V686-H688 PolarHBondContact O-N 3.16Å; V686-I729 HydrophobicContact CG2-CG1 3.74Å; V686-L732 HydrophobicContact CB-CD2 3.59Å; V686-L732 HydrophobicContact CG1-CD2 3.7Å; V686-L732 HydrophobicContact CG2-CD2 3.87Å
687	V	84.7	Confident	89.1	Confident	66 Å²	66	46.4 Å²	46.4	40%	0.4	23%	0.234	S	C	.	.	S	Bend	trans	-69.7	-31.4	-174.7	-175.5	0	0	0	0	112.4	R679 D681 N685	R679-V687 HydrophobicContact CB-CG2 4.43Å; R679-V687 PolarHBondContact O-N 3.47Å; D681-V687 HydrophobicContact CB-CG2 4.09Å; N685-V687 PolarHBondContact O-N 3.44Å
688	H	84.8	Confident	89	Confident	39 Å²	39	46 Å²	46	18%	0.181	23%	0.232	C	C	.	.			trans	-131.5	76.5	-174.7	-69.1	-17.6	0	0	0	112.5	V686 Q690 L691 V811	V686-H688 PolarHBondContact O-N 3.16Å; H688-Q690 VanDerWaalsContact C-N 3.26Å; H688-Q690 PolarHBondContact O-N 2.95Å; H688-L691 WeakPolarHBondContact O-CB 3.32Å; H688-L691 PolarHBondContact O-N 2.98Å; H688-V811 HydrophobicContact CB-CG1 4.16Å
689	P	89.4	Confident	89	Confident	48 Å²	48	46.8 Å²	46.8	31%	0.312	24%	0.235	S	C	.	.	H	α-helix	trans	-61.7	-32.1	-179.1	25	-34.8	0	0	0	113.1	L691 L692 S693 L732	P689-L691 PolarHBondContact O-N 3.35Å; P689-L691 VanDerWaalsContact O-N 3.1Å; P689-L692 WeakPolarHBondContact O-CB 3.42Å; P689-L692 PolarHBondContact O-N 3.28Å; P689-S693 PolarHBondContact O-N 3.43Å; P689-L732 HydrophobicContact CB-CD1 4.18Å; P689-L732 HydrophobicContact CB-CD2 3.99Å
690	Q	90.7	Very high	88.8	Confident	47 Å²	47	41.8 Å²	41.8	22%	0.22	23%	0.228	C	C	.	.	H	α-helix	trans	-62.3	-18.2	179	-71.8	147.8	-60.1	0	0	114.1	H688 L692 S693 L694 V811 S812 F814	H688-Q690 VanDerWaalsContact C-N 3.26Å; H688-Q690 PolarHBondContact O-N 2.95Å; Q690-L692 VanDerWaalsContact C-N 3.3Å; Q690-S693 PolarHBondContact O-N 3.49Å; Q690-L694 WeakPolarHBondContact O-CB 3.35Å; Q690-L694 PolarHBondContact O-N 3.28Å; Q690-V811 HydrophobicContact CB-CG1 4.08Å; Q690-V811 PolarHBondContact OE1-O 2.72Å; Q690-S812 PolarHBondContact NE2-O 3.18Å; Q690-F814 HydrophobicContact CB-CB 4.34Å; Q690-F814 PolarHBondContact NE2-O 3.2Å
691	L	91.8	Very high	88.4	Confident	5 Å²	5	42.1 Å²	42.1	3%	0.026	24%	0.237	C	C	.	.	H	α-helix	trans	-66.4	-36.5	171.9	-164	66.7	0	0	0	110.9	V676 L677 V678 H688 P689 T695 L772 T808 V811	V676-L691 HydrophobicContact CG1-CD2 3.67Å; V676-L691 HydrophobicContact CG1-CG 3.77Å; L677-L691 WeakPolarHBondContact O-CD2 3.43Å; V678-L691 HydrophobicContact CG2-CD2 4.49Å; H688-L691 WeakPolarHBondContact O-CB 3.32Å; H688-L691 PolarHBondContact O-N 2.98Å; P689-L691 PolarHBondContact O-N 3.35Å; P689-L691 VanDerWaalsContact O-N 3.1Å; L691-T695 WeakPolarHBondContact O-CB 3.32Å; L691-T695 PolarHBondContact O-N 3.42Å; L691-T695 PolarHBondContact O-OG1 3.47Å; L691-L772 HydrophobicContact CD1-CD1 4.09Å; L691-L772 HydrophobicContact CD1-CD2 4.11Å; L691-L772 HydrophobicContact CD1-CG 3.9Å; L691-L772 HydrophobicContact CG-CD2 4.37Å; L691-L772 HydrophobicContact CG-CG 4.37Å; L691-T808 HydrophobicContact CD1-CG2 4.47Å; L691-T808 VanDerWaalsContact CD1-OG1 3.31Å; L691-T808 WeakPolarHBondContact CD1-OG1 3.29Å; L691-V811 HydrophobicContact CB-CG1 4.26Å
692	L	93.1	Very high	88.5	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-73	-38.1	172.5	-63.5	179	0	0	0	111.4	V676 V678 P689 Q690 T695 S696 V707 L732 M733 E736 V738	V676-L692 HydrophobicContact CG1-CD2 4.34Å; V678-L692 HydrophobicContact CG2-CD2 4.21Å; P689-L692 WeakPolarHBondContact O-CB 3.42Å; P689-L692 PolarHBondContact O-N 3.28Å; Q690-L692 VanDerWaalsContact C-N 3.3Å; L692-T695 WeakPolarHBondContact O-CB 3.45Å; L692-T695 PolarHBondContact O-N 3.03Å; L692-S696 PolarHBondContact O-N 3.3Å; L692-V707 HydrophobicContact CD2-CG1 3.95Å; L692-V707 HydrophobicContact CD2-CG2 3.67Å; L692-L732 HydrophobicContact CD1-CB 4.4Å; L692-L732 HydrophobicContact CD1-CD2 3.76Å; L692-L732 HydrophobicContact CD1-CG 3.86Å; L692-M733 HydrophobicContact CD1-CG 4.29Å; L692-E736 HydrophobicContact CB-CB 4.3Å; L692-E736 HydrophobicContact CB-CG 4.43Å; L692-V738 HydrophobicContact CB-CG2 4.03Å; L692-V738 VanDerWaalsContact O-CG2 3.24Å; L692-V738 WeakPolarHBondContact O-CG2 3.49Å
693	S	92.9	Very high	88.8	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.014	24%	0.236	C	C	.	.	H	α-helix	trans	-57.7	-49.8	171	-49	0	0	0	0	111.4	P689 Q690 T695 S696 Q697 E736	P689-S693 PolarHBondContact O-N 3.43Å; Q690-S693 PolarHBondContact O-N 3.49Å; S693-T695 VanDerWaalsContact C-N 3.3Å; S693-T695 PolarHBondContact O-N 3.04Å; S693-S696 PolarHBondContact O-N 3.09Å; S693-S696 PolarHBondContact O-OG 2.89Å; S693-Q697 WeakPolarHBondContact O-CG 3.48Å; S693-Q697 PolarHBondContact O-N 2.91Å; S693-E736 WeakPolarHBondContact CB-OE2 3.37Å; S693-E736 PolarHBondContact OG-OE2 3.47Å
694	L	93.1	Very high	89.3	Confident	6 Å²	6	34.3 Å²	34.3	3%	0.031	21%	0.206	C	C	.	.	H	α-helix	trans	-61.3	-39.2	176.8	178.3	63.2	0	0	0	111.9	Q690 Q697 L698 T808 F814 L845	Q690-L694 WeakPolarHBondContact O-CB 3.35Å; Q690-L694 PolarHBondContact O-N 3.28Å; L694-Q697 WeakPolarHBondContact O-CB 3.43Å; L694-Q697 PolarHBondContact O-N 3.41Å; L694-L698 WeakPolarHBondContact O-CB 3.32Å; L694-L698 PolarHBondContact O-N 3.22Å; L694-T808 HydrophobicContact CD2-CG2 3.57Å; L694-F814 HydrophobicContact CD1-CD1 3.95Å; L694-F814 HydrophobicContact CD1-CE1 3.95Å; L694-F814 HydrophobicContact CD2-CD1 3.99Å; L694-F814 HydrophobicContact CD2-CE1 3.76Å; L694-F814 HydrophobicContact CD2-CZ 4.4Å; L694-F814 HydrophobicContact CG-CD1 4.37Å; L694-F814 HydrophobicContact CG-CE1 4.43Å; L694-L845 HydrophobicContact CD1-CD1 4.18Å
695	T	93.4	Very high	89.8	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-58.7	-47.4	174.7	-61.5	0	0	0	0	111.3	L674 V676 L691 L692 S693 Q697 L698 K699 T705 V738 L772	L674-T695 HydrophobicContact CD1-CG2 3.91Å; V676-T695 HydrophobicContact CG2-CG2 3.75Å; V676-T695 WeakPolarHBondContact CG2-OG1 3.18Å; L691-T695 WeakPolarHBondContact O-CB 3.32Å; L691-T695 PolarHBondContact O-N 3.42Å; L691-T695 PolarHBondContact O-OG1 3.47Å; L692-T695 WeakPolarHBondContact O-CB 3.45Å; L692-T695 PolarHBondContact O-N 3.03Å; S693-T695 VanDerWaalsContact C-N 3.3Å; S693-T695 PolarHBondContact O-N 3.04Å; T695-Q697 VanDerWaalsContact C-N 3.32Å; T695-Q697 PolarHBondContact O-N 3.39Å; T695-L698 PolarHBondContact O-N 3.31Å; T695-K699 WeakPolarHBondContact O-CB 3.35Å; T695-K699 PolarHBondContact O-N 2.62Å; T695-T705 HydrophobicContact CG2-CG2 3.55Å; T695-V738 HydrophobicContact CG2-CG1 4.25Å; T695-L772 WeakPolarHBondContact OG1-CD2 3.4Å
696	S	93.5	Very high	90.2	Very high	9 Å²	9	29.1 Å²	29.1	6%	0.063	18%	0.179	C	C	.	.	H	α-helix	trans	-68	-31.6	177.3	67.7	0	0	0	0	112.8	L692 S693 A700 E736 N817	L692-S696 PolarHBondContact O-N 3.3Å; S693-S696 PolarHBondContact O-N 3.09Å; S693-S696 PolarHBondContact O-OG 2.89Å; S696-A700 VanDerWaalsContact O-CA 3.23Å; S696-A700 WeakPolarHBondContact O-CA 3.48Å; S696-A700 PolarHBondContact O-N 3.36Å; S696-E736 WeakPolarHBondContact CB-O 3.21Å; S696-E736 PolarHBondContact OG-O 3.33Å; S696-N817 PolarHBondContact OG-ND2 2.64Å
697	Q	92.9	Very high	90.6	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-66.9	-45.2	173.5	-64.9	167.8	29.4	0	0	112.4	S693 L694 T695 P815 L845 H848 V850	S693-Q697 WeakPolarHBondContact O-CG 3.48Å; S693-Q697 PolarHBondContact O-N 2.91Å; L694-Q697 WeakPolarHBondContact O-CB 3.43Å; L694-Q697 PolarHBondContact O-N 3.41Å; T695-Q697 VanDerWaalsContact C-N 3.32Å; T695-Q697 PolarHBondContact O-N 3.39Å; Q697-P815 PolarHBondContact NE2-O 2.76Å; Q697-L845 HydrophobicContact CB-CD1 4.03Å; Q697-H848 HydrophobicContact CB-CB 4.48Å; Q697-H848 WeakPolarHBondContact CG-ND1 3.48Å; Q697-H848 WeakPolarHBondContact O-CB 3.46Å; Q697-V850 HydrophobicContact CG-CG2 4.29Å
698	L	92.7	Very high	91.1	Very high	11 Å²	11	25 Å²	25	6%	0.058	15%	0.154	C	C	.	.	H	α-helix	trans	-71.8	-36.9	-178.4	-177.9	61.1	0	0	0	112.7	L674 L694 T695 L806 L841 L844 L845	L674-L698 HydrophobicContact CD1-CD2 4.24Å; L674-L698 HydrophobicContact CD2-CD2 4.47Å; L694-L698 WeakPolarHBondContact O-CB 3.32Å; L694-L698 PolarHBondContact O-N 3.22Å; T695-L698 PolarHBondContact O-N 3.31Å; L698-L806 HydrophobicContact CD2-CD1 4.2Å; L698-L841 HydrophobicContact CD1-CD2 4.09Å; L698-L841 HydrophobicContact CD2-CD2 4.16Å; L698-L844 HydrophobicContact CD1-CB 4.2Å; L698-L845 HydrophobicContact CB-CD1 4.36Å
699	K	91.6	Very high	91.5	Very high	26 Å²	26	23.2 Å²	23.2	11%	0.113	15%	0.146	C	C	.	.	H	α-helix	trans	-92.6	-19.8	-178.2	-65.4	-64.8	-54.3	-137.3	0	114.1	P672 L674 T695 G701 K702 L704	P672-K699 PolarHBondContact O-NZ 3.33Å; L674-K699 HydrophobicContact CD1-CD 3.78Å; L674-K699 HydrophobicContact CD1-CG 3.51Å; L674-K699 HydrophobicContact CG-CD 4.07Å; L674-K699 HydrophobicContact CG-CG 4.3Å; T695-K699 WeakPolarHBondContact O-CB 3.35Å; T695-K699 PolarHBondContact O-N 2.62Å; K699-G701 PolarHBondContact O-N 2.98Å; K699-K702 WeakPolarHBondContact CE-O 3.42Å; K699-K702 PolarHBondContact O-N 3.24Å; K699-L704 PolarHBondContact NZ-O 3.28Å
700	A	85.6	Confident	91.7	Very high	59 Å²	59	21.8 Å²	21.8	49%	0.488	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	33.2	-175.4	0	0	0	0	0	114.2	S696	S696-A700 VanDerWaalsContact O-CA 3.23Å; S696-A700 WeakPolarHBondContact O-CA 3.48Å; S696-A700 PolarHBondContact O-N 3.36Å
701	G	79.6	Confident	91.8	Very high	31 Å²	31	20.3 Å²	20.3	32%	0.32	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	20.6	-178.1	0	0	0	0	0	115.9	K699	K699-G701 PolarHBondContact O-N 2.98Å
702	K	86.8	Confident	91.7	Very high	159 Å²	159	26.5 Å²	26.5	69%	0.691	16%	0.159	S	C	*	.			trans	-116.4	155.1	177.2	-60.3	179.5	-178.4	178.1	0	111.8	K699	K699-K702 WeakPolarHBondContact CE-O 3.42Å; K699-K702 PolarHBondContact O-N 3.24Å
703	G	87.5	Confident	91.6	Very high	57 Å²	57	27.6 Å²	27.6	59%	0.588	17%	0.171	S	C	*	.	S	Bend	trans	72.9	-172.5	176.6	0	0	0	0	0	113.8
704	L	91.8	Very high	91.5	Very high	13 Å²	13	31.2 Å²	31.2	7%	0.068	19%	0.192	C	C	.	.			trans	-82.2	143.3	179.4	-176.1	66.3	0	0	0	110.9	Q673 L674 K699 I706 F741 L766 Q767	Q673-L704 HydrophobicContact CB-CB 4.25Å; L674-L704 PolarHBondContact N-O 2.96Å; K699-L704 PolarHBondContact NZ-O 3.28Å; L704-I706 HydrophobicContact CD1-CG1 4.27Å; L704-I706 HydrophobicContact CD2-CD1 4.28Å; L704-I706 HydrophobicContact CD2-CG1 4.49Å; L704-I706 HydrophobicContact CG-CG1 4.29Å; L704-F741 HydrophobicContact CD1-CD2 3.85Å; L704-F741 HydrophobicContact CD1-CE2 3.76Å; L704-L766 HydrophobicContact CB-CD1 4.4Å; L704-L766 HydrophobicContact CD1-CD1 4.19Å; L704-L766 HydrophobicContact CD1-CD2 4.34Å; L704-L766 HydrophobicContact CD1-CG 4.1Å; L704-L766 HydrophobicContact CD2-CD1 4.04Å; L704-L766 HydrophobicContact CD2-CG 4.01Å; L704-L766 HydrophobicContact CG-CD1 4.44Å; L704-Q767 WeakPolarHBondContact CD2-O 3.38Å
705	T	95.3	Very high	91.4	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.018	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	128.1	168.4	-63.5	0	0	0	0	107.8	L674 V676 T695 V738 G740 F741	L674-T705 CarbonylContact O-C 3.49Å; L674-T705 WeakPolarHBondContact O-CA 3.39Å; V676-T705 HydrophobicContact CG2-CG2 4.2Å; T695-T705 HydrophobicContact CG2-CG2 3.55Å; T705-V738 HydrophobicContact CG2-CG1 3.87Å; T705-G740 CarbonylContact O-C 3.5Å; T705-G740 WeakPolarHBondContact O-CA 3.05Å; T705-F741 PolarHBondContact O-N 3.16Å
706	I	95.9	Very high	91.4	Very high	8 Å²	8	44.3 Å²	44.3	4%	0.041	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	128.7	174.6	-57.2	175	0	0	0	106.3	L674 L675 V676 L704 F741 Q743	L674-I706 PolarHBondContact O-N 3.49Å; L675-I706 CarbonylContact C-O 3.57Å; L675-I706 WeakPolarHBondContact CA-O 3.44Å; L675-I706 HydrophobicContact CD1-CB 4.08Å; L675-I706 HydrophobicContact CD1-CG2 3.85Å; V676-I706 PolarHBondContact N-O 3.26Å; L704-I706 HydrophobicContact CD1-CG1 4.27Å; L704-I706 HydrophobicContact CD2-CD1 4.28Å; L704-I706 HydrophobicContact CD2-CG1 4.49Å; L704-I706 HydrophobicContact CG-CG1 4.29Å; I706-F741 CarbonylContact C-O 3.5Å; I706-F741 WeakPolarHBondContact CA-O 3.03Å; I706-Q743 HydrophobicContact CG2-CB 4.33Å
707	V	95.9	Very high	91.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	107.3	174.5	-177.9	0	0	0	0	107.5	V676 V678 L692 I729 M733 F741 Q743	V676-V707 HydrophobicContact CB-CG2 4.5Å; V678-V707 HydrophobicContact CB-CG1 4.33Å; V678-V707 HydrophobicContact CG2-CG1 3.68Å; L692-V707 HydrophobicContact CD2-CG1 3.95Å; L692-V707 HydrophobicContact CD2-CG2 3.67Å; V707-I729 HydrophobicContact CB-CG2 4.3Å; V707-I729 HydrophobicContact CG1-CG2 3.63Å; V707-M733 HydrophobicContact CB-CE 4.48Å; V707-M733 HydrophobicContact CB-SD 3.93Å; V707-M733 HydrophobicContact CG2-CE 3.81Å; V707-M733 HydrophobicContact CG2-CG 4.1Å; V707-M733 HydrophobicContact CG2-SD 3.67Å; V707-F741 PolarHBondContact N-O 2.92Å; V707-Q743 PolarHBondContact O-N 3.26Å
708	G	94.6	Very high	91.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	137.4	-178.7	0	0	0	0	0	111.5	V676 V678 Q743	V676-G708 PolarHBondContact O-N 2.9Å; V678-G708 PolarHBondContact N-O 3.06Å; G708-Q743 WeakPolarHBondContact CA-O 3.28Å
709	S	94.4	Very high	91.1	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.014	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	147.1	170.4	179.3	0	0	0	0	110.5	V678 V680 Q743 V744 V745	V678-S709 PolarHBondContact O-OG 3.41Å; V680-S709 WeakPolarHBondContact CG2-OG 3.31Å; S709-Q743 PolarHBondContact N-O 3.3Å; S709-V744 WeakPolarHBondContact O-CA 3.47Å; S709-V745 PolarHBondContact O-N 3.02Å
710	V	93.3	Very high	91.1	Very high	18 Å²	18	55.1 Å²	55.1	11%	0.109	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	126.8	177.2	-176	0	0	0	0	109	V745 L750 V754 L757	V710-V745 CarbonylContact C-O 3.54Å; V710-V745 WeakPolarHBondContact CA-O 3.46Å; V710-L750 HydrophobicContact CB-CD1 3.87Å; V710-L750 HydrophobicContact CG1-CD1 3.91Å; V710-V754 HydrophobicContact CB-CG2 4.47Å; V710-V754 HydrophobicContact CG2-CG2 3.79Å; V710-L757 HydrophobicContact CG2-CD1 3.47Å; V710-L757 VanDerWaalsContact CG2-CD1 3.47Å; V710-L757 HydrophobicContact CG2-CG 4.37Å
711	L	92.1	Very high	91.3	Very high	15 Å²	15	55.8 Å²	55.8	8%	0.079	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	133.9	171.7	-66.8	178.4	0	0	0	109.6	V680 A722 A725 V744 V745 I746 S747	V680-L711 HydrophobicContact CG2-CD2 3.53Å; L711-A722 HydrophobicContact CD1-CB 3.98Å; L711-A725 HydrophobicContact CD1-CB 4.1Å; L711-V744 HydrophobicContact CD1-CG1 3.98Å; L711-V744 HydrophobicContact CG-CG1 4.12Å; L711-V745 PolarHBondContact N-O 3.23Å; L711-I746 HydrophobicContact CB-CG1 4.44Å; L711-I746 WeakPolarHBondContact O-CA 3.29Å; L711-S747 PolarHBondContact O-N 3.09Å
712	E	89.7	Confident	91.8	Very high	135 Å²	135	54.9 Å²	54.9	63%	0.631	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	131.3	177.1	-165.9	169.8	166.2	0	0	110.6	N718 S747	E712-N718 PolarHBondContact O-ND2 2.72Å; E712-S747 CarbonylContact C-O 3.55Å; E712-S747 VanDerWaalsContact CA-O 3.31Å; E712-S747 WeakPolarHBondContact CA-O 3.14Å
713	G	90.8	Very high	92	Very high	24 Å²	24	52.2 Å²	52.2	25%	0.247	29%	0.288	C	S	.	.	S	Bend	trans	137.6	-162	174.7	0	0	0	0	0	114.7	I746 S747 S748	G713-I746 WeakPolarHBondContact O-CG2 3.2Å; G713-S747 PolarHBondContact N-O 3.33Å; G713-S747 CarbonylContact O-C 3.6Å; G713-S747 VanDerWaalsContact O-C 3.23Å; G713-S748 PolarHBondContact O-N 3.02Å
714	T	91.4	Very high	92.2	Very high	77 Å²	77	57.8 Å²	57.8	47%	0.472	29%	0.291	S	S	.	.			trans	-97.2	133.1	-177.9	37.9	0	0	0	0	111.5	L716 D717 N718	T714-L716 VanDerWaalsContact C-N 3.32Å; T714-L716 PolarHBondContact O-N 2.65Å; T714-D717 WeakPolarHBondContact CB-OD2 3.45Å; T714-D717 PolarHBondContact O-N 3.42Å; T714-D717 PolarHBondContact OG1-OD2 3.5Å; T714-N718 WeakPolarHBondContact O-CB 3.41Å; T714-N718 PolarHBondContact O-N 3.35Å
715	F	91.4	Very high	92.3	Very high	125 Å²	125	57.1 Å²	57.1	55%	0.548	29%	0.288	S	S	.	.	H	α-helix	trans	-61.7	-37.2	-176.5	178.5	-91.8	0	0	0	113.3	D717 H719 I746	F715-D717 VanDerWaalsContact C-N 3.33Å; F715-D717 PolarHBondContact O-N 3Å; F715-H719 AromaticContact CE1-ND1 3.91Å; F715-H719 AromaticContact CE2-ND1 3.52Å; F715-H719 AromaticContact CZ-CE1 3.77Å; F715-H719 AromaticContact CZ-ND1 3.21Å; F715-H719 WeakPolarHBondContact CZ-ND1 3.45Å; F715-H719 WeakPolarHBondContact O-CB 3.42Å; F715-H719 PolarHBondContact O-N 3.03Å; F715-H719 VanDerWaalsContact O-N 3.09Å; F715-I746 HydrophobicContact CB-CB 4.47Å; F715-I746 HydrophobicContact CB-CD1 4.5Å; F715-I746 HydrophobicContact CD2-CB 4.34Å; F715-I746 HydrophobicContact CD2-CD1 3.83Å; F715-I746 HydrophobicContact CD2-CG1 4.35Å; F715-I746 HydrophobicContact CG-CD1 4.45Å
716	L	92.1	Very high	92.2	Very high	157 Å²	157	59.9 Å²	59.9	82%	0.822	30%	0.3	S	S	*	.	H	α-helix	trans	-60.1	-41.6	-178.2	-65.3	173	0	0	0	112.3	T714	T714-L716 VanDerWaalsContact C-N 3.32Å; T714-L716 PolarHBondContact O-N 2.65Å
717	D	91.8	Very high	92	Very high	110 Å²	110	64.1 Å²	64.1	59%	0.588	32%	0.32	S	S	*	.	H	α-helix	trans	-89.3	-38.6	-174.5	-47.3	-68.1	0	0	0	111.7	T714 F715	T714-D717 WeakPolarHBondContact CB-OD2 3.45Å; T714-D717 PolarHBondContact O-N 3.42Å; T714-D717 PolarHBondContact OG1-OD2 3.5Å; F715-D717 VanDerWaalsContact C-N 3.33Å; F715-D717 PolarHBondContact O-N 3Å
718	N	90.2	Very high	91.9	Very high	28 Å²	28	65.5 Å²	65.5	15%	0.15	33%	0.329	C	S	.	.	H	α-helix	trans	-94.6	3.2	-173.2	-69	-8.8	0	0	0	114.3	E712 T714 Q721 A722 I746	E712-N718 PolarHBondContact O-ND2 2.72Å; T714-N718 WeakPolarHBondContact O-CB 3.41Å; T714-N718 PolarHBondContact O-N 3.35Å; N718-Q721 WeakPolarHBondContact O-CA 3.49Å; N718-Q721 WeakPolarHBondContact O-CB 3.35Å; N718-Q721 PolarHBondContact O-N 3.24Å; N718-Q721 PolarHBondContact OD1-NE2 3.48Å; N718-A722 PolarHBondContact O-N 3.1Å; N718-A722 VanDerWaalsContact O-N 3.08Å; N718-I746 HydrophobicContact CB-CD1 4.02Å; N718-I746 HydrophobicContact CB-CG2 4.46Å
719	H	91.4	Very high	91.9	Very high	74 Å²	74	65.5 Å²	65.5	34%	0.343	33%	0.329	S	S	.	.	H	α-helix	trans	-47	-48.9	175.2	-169.3	70.9	0	0	0	114.9	F715 Q721 A722 Q723	F715-H719 AromaticContact CE1-ND1 3.91Å; F715-H719 AromaticContact CE2-ND1 3.52Å; F715-H719 AromaticContact CZ-CE1 3.77Å; F715-H719 AromaticContact CZ-ND1 3.21Å; F715-H719 WeakPolarHBondContact CZ-ND1 3.45Å; F715-H719 WeakPolarHBondContact O-CB 3.42Å; F715-H719 PolarHBondContact O-N 3.03Å; F715-H719 VanDerWaalsContact O-N 3.09Å; H719-Q721 PolarHBondContact O-N 3.06Å; H719-A722 PolarHBondContact O-N 3.25Å; H719-Q723 PolarHBondContact CD2-NE2 3.06Å; H719-Q723 PolarHBondContact NE2-NE2 2.99Å; H719-Q723 PolarHBondContact O-N 3.12Å; H719-Q723 VanDerWaalsContact O-N 3.16Å
720	P	91.1	Very high	91.9	Very high	62 Å²	62	71.4 Å²	71.4	40%	0.403	35%	0.352	S	S	.	.	H	α-helix	trans	-68.5	-21.7	178.3	27.9	-36.2	0	0	0	113.5	R724	P720-R724 WeakPolarHBondContact O-CG 3.26Å; P720-R724 PolarHBondContact O-N 3.21Å
721	Q	89.6	Confident	91.9	Very high	74 Å²	74	78.2 Å²	78.2	35%	0.346	38%	0.375	S	S	.	.	H	α-helix	trans	-74.1	-42	174.1	-57.3	176.6	12.3	0	0	110.4	N718 H719 Q723 R724 A725	N718-Q721 WeakPolarHBondContact O-CA 3.49Å; N718-Q721 WeakPolarHBondContact O-CB 3.35Å; N718-Q721 PolarHBondContact O-N 3.24Å; N718-Q721 PolarHBondContact OD1-NE2 3.48Å; H719-Q721 PolarHBondContact O-N 3.06Å; Q721-Q723 PolarHBondContact O-N 3.44Å; Q721-R724 PolarHBondContact O-N 3.16Å; Q721-A725 WeakPolarHBondContact O-CB 3.4Å; Q721-A725 PolarHBondContact O-N 3.02Å
722	A	90.9	Very high	91.9	Very high	12 Å²	12	79.4 Å²	79.4	10%	0.099	38%	0.381	C	S	.	.	H	α-helix	trans	-61.8	-40.5	174.8	0	0	0	0	0	112.9	L711 N718 H719 R724 A725 E726 V744 I746	L711-A722 HydrophobicContact CD1-CB 3.98Å; N718-A722 PolarHBondContact O-N 3.1Å; N718-A722 VanDerWaalsContact O-N 3.08Å; H719-A722 PolarHBondContact O-N 3.25Å; A722-R724 PolarHBondContact O-N 3.18Å; A722-A725 PolarHBondContact O-N 3.44Å; A722-E726 WeakPolarHBondContact O-CB 3.47Å; A722-E726 PolarHBondContact O-N 3.37Å; A722-V744 HydrophobicContact CB-CG1 4.1Å; A722-I746 HydrophobicContact CB-CD1 3.72Å; A722-I746 HydrophobicContact CB-CG1 3.85Å
723	Q	91.8	Very high	92.1	Very high	102 Å²	102	73.3 Å²	73.3	48%	0.477	35%	0.353	S	S	.	.	H	α-helix	trans	-59.6	-44.8	173.7	-68.8	-175.3	-5.3	0	0	111.9	H719 Q721 E726 E727	H719-Q723 PolarHBondContact CD2-NE2 3.06Å; H719-Q723 PolarHBondContact NE2-NE2 2.99Å; H719-Q723 PolarHBondContact O-N 3.12Å; H719-Q723 VanDerWaalsContact O-N 3.16Å; Q721-Q723 PolarHBondContact O-N 3.44Å; Q723-E726 PolarHBondContact O-N 3.49Å; Q723-E727 PolarHBondContact O-N 2.89Å
724	R	91.4	Very high	92.3	Very high	174 Å²	174	78.8 Å²	78.8	66%	0.657	37%	0.372	S	S	*	.	H	α-helix	trans	-64	-41.4	176.2	-69.9	172.5	-172.3	178.1	3.8	112.4	P720 Q721 A722 E727 S728	P720-R724 WeakPolarHBondContact O-CG 3.26Å; P720-R724 PolarHBondContact O-N 3.21Å; Q721-R724 PolarHBondContact O-N 3.16Å; A722-R724 PolarHBondContact O-N 3.18Å; R724-E727 PolarHBondContact O-N 3.11Å; R724-S728 VanDerWaalsContact O-CB 3.27Å; R724-S728 WeakPolarHBondContact O-CB 3.44Å; R724-S728 PolarHBondContact O-N 3.33Å
725	A	92.1	Very high	92.3	Very high	0 Å²	0	78.4 Å²	78.4	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-63	-42.3	175.7	0	0	0	0	0	111.6	Q684 L711 Q721 A722 S728 I729 V744	Q684-A725 HydrophobicContact CB-CB 4.37Å; L711-A725 HydrophobicContact CD1-CB 4.1Å; Q721-A725 WeakPolarHBondContact O-CB 3.4Å; Q721-A725 PolarHBondContact O-N 3.02Å; A722-A725 PolarHBondContact O-N 3.44Å; A725-S728 WeakPolarHBondContact O-CB 3.39Å; A725-S728 PolarHBondContact O-N 3.16Å; A725-I729 WeakPolarHBondContact O-CB 3.04Å; A725-I729 WeakPolarHBondContact O-CD1 3.32Å; A725-I729 VanDerWaalsContact O-CG1 3.23Å; A725-I729 WeakPolarHBondContact O-CG1 3.46Å; A725-I729 PolarHBondContact O-N 3.3Å; A725-V744 HydrophobicContact CB-CG1 4.41Å
726	E	93.7	Very high	92.3	Very high	61 Å²	61	74.2 Å²	74.2	29%	0.285	36%	0.359	S	S	.	.	H	α-helix	trans	-64.3	-44.1	177.5	-159.9	-161.9	146	0	0	111.6	A722 Q723 I729 R730 C742 V744	A722-E726 WeakPolarHBondContact O-CB 3.47Å; A722-E726 PolarHBondContact O-N 3.37Å; Q723-E726 PolarHBondContact O-N 3.49Å; E726-I729 PolarHBondContact O-N 2.88Å; E726-R730 VanDerWaalsContact O-CB 3.26Å; E726-R730 WeakPolarHBondContact O-CB 3.27Å; E726-R730 PolarHBondContact O-N 3.31Å; E726-R730 IonicContact OE1-CZ 2.97Å; E726-R730 IonicContact OE1-NH2 3.27Å; E726-R730 PolarHBondContact OE1-NH2 3.44Å; E726-C742 HydrophobicContact CG-CB 4.13Å; E726-V744 HydrophobicContact CB-CG2 3.85Å; E726-V744 HydrophobicContact CG-CG2 4.07Å
727	E	92.8	Very high	92.3	Very high	97 Å²	97	74.4 Å²	74.4	45%	0.453	35%	0.353	S	S	.	.	H	α-helix	trans	-61.6	-43.8	173.2	-77.4	-169.4	-147.1	0	0	112.5	Q723 R724 R730 R731	Q723-E727 PolarHBondContact O-N 2.89Å; R724-E727 PolarHBondContact O-N 3.11Å; E727-R730 PolarHBondContact O-N 2.97Å; E727-R731 WeakPolarHBondContact O-CB 3.39Å; E727-R731 VanDerWaalsContact O-CG 3.23Å; E727-R731 WeakPolarHBondContact O-CG 3.32Å; E727-R731 PolarHBondContact O-N 3.06Å; E727-R731 IonicContact OE2-CZ 3.85Å; E727-R731 IonicContact OE2-NE 3.56Å; E727-R731 IonicContact OE2-NH2 2.85Å; E727-R731 PolarHBondContact OE2-NH2 2.94Å
728	S	93.4	Very high	92.3	Very high	28 Å²	28	69.8 Å²	69.8	20%	0.196	33%	0.329	C	S	.	.	H	α-helix	trans	-58.3	-49.9	177.3	-178.6	0	0	0	0	111.2	Q684 R724 A725 R730 R731 L732	Q684-S728 WeakPolarHBondContact O-CB 3.46Å; Q684-S728 PolarHBondContact O-OG 3.27Å; R724-S728 VanDerWaalsContact O-CB 3.27Å; R724-S728 WeakPolarHBondContact O-CB 3.44Å; R724-S728 PolarHBondContact O-N 3.33Å; A725-S728 WeakPolarHBondContact O-CB 3.39Å; A725-S728 PolarHBondContact O-N 3.16Å; S728-R730 PolarHBondContact O-N 2.95Å; S728-R731 PolarHBondContact O-N 3.36Å; S728-L732 PolarHBondContact O-N 3.43Å; S728-L732 VanDerWaalsContact O-N 3.12Å
729	I	93.9	Very high	92.4	Very high	0 Å²	0	75.9 Å²	75.9	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-62.5	-43.9	176.3	-66.5	162.5	0	0	0	110.8	V686 V707 A725 E726 L732 M733 C742 V744	V686-I729 HydrophobicContact CG2-CG1 3.74Å; V707-I729 HydrophobicContact CB-CG2 4.3Å; V707-I729 HydrophobicContact CG1-CG2 3.63Å; A725-I729 WeakPolarHBondContact O-CB 3.04Å; A725-I729 WeakPolarHBondContact O-CD1 3.32Å; A725-I729 VanDerWaalsContact O-CG1 3.23Å; A725-I729 WeakPolarHBondContact O-CG1 3.46Å; A725-I729 PolarHBondContact O-N 3.3Å; E726-I729 PolarHBondContact O-N 2.88Å; I729-L732 PolarHBondContact O-N 3.22Å; I729-M733 HydrophobicContact CG2-CG 4.26Å; I729-M733 HydrophobicContact CG2-SD 3.97Å; I729-M733 VanDerWaalsContact O-CG 3.32Å; I729-M733 WeakPolarHBondContact O-CG 3.42Å; I729-M733 PolarHBondContact O-N 3.34Å; I729-C742 HydrophobicContact CG2-CB 4.46Å; I729-C742 WeakPolarHBondContact CG2-SG 3.21Å; I729-V744 HydrophobicContact CD1-CG2 3.97Å
730	R	94.8	Very high	92.5	Very high	127 Å²	127	74 Å²	74	48%	0.479	36%	0.355	S	S	.	.	H	α-helix	trans	-63.6	-44.2	-179.3	-166.6	-176.5	-62.3	-179.9	-0.1	112.3	E726 E727 S728 L732 M733 E734	E726-R730 VanDerWaalsContact O-CB 3.26Å; E726-R730 WeakPolarHBondContact O-CB 3.27Å; E726-R730 PolarHBondContact O-N 3.31Å; E726-R730 IonicContact OE1-CZ 2.97Å; E726-R730 IonicContact OE1-NH2 3.27Å; E726-R730 PolarHBondContact OE1-NH2 3.44Å; E727-R730 PolarHBondContact O-N 2.97Å; S728-R730 PolarHBondContact O-N 2.95Å; R730-L732 VanDerWaalsContact C-N 3.28Å; R730-L732 PolarHBondContact O-N 3.08Å; R730-M733 WeakPolarHBondContact O-CB 3.37Å; R730-M733 PolarHBondContact O-N 2.73Å; R730-E734 PolarHBondContact O-N 2.95Å
731	R	93.8	Very high	92.6	Very high	161 Å²	161	77.2 Å²	77.2	61%	0.608	36%	0.363	S	S	*	.	H	α-helix	trans	-59.6	-39.6	174.1	-68.4	169.5	-162.2	-173.4	6.8	111.4	E727 S728 E734 A735	E727-R731 WeakPolarHBondContact O-CB 3.39Å; E727-R731 VanDerWaalsContact O-CG 3.23Å; E727-R731 WeakPolarHBondContact O-CG 3.32Å; E727-R731 PolarHBondContact O-N 3.06Å; E727-R731 IonicContact OE2-CZ 3.85Å; E727-R731 IonicContact OE2-NE 3.56Å; E727-R731 IonicContact OE2-NH2 2.85Å; E727-R731 PolarHBondContact OE2-NH2 2.94Å; S728-R731 PolarHBondContact O-N 3.36Å; R731-E734 PolarHBondContact O-N 3.42Å; R731-A735 PolarHBondContact O-N 3.4Å; R731-A735 VanDerWaalsContact O-N 3.08Å
732	L	92.7	Very high	92.8	Very high	39 Å²	39	75 Å²	75	20%	0.204	36%	0.355	C	S	.	.	H	α-helix	trans	-71.3	-37.4	176.9	-174	62.8	0	0	0	112.7	V686 P689 L692 S728 I729 R730 E734 A735 E736	V686-L732 HydrophobicContact CB-CD2 3.59Å; V686-L732 HydrophobicContact CG1-CD2 3.7Å; V686-L732 HydrophobicContact CG2-CD2 3.87Å; P689-L732 HydrophobicContact CB-CD1 4.18Å; P689-L732 HydrophobicContact CB-CD2 3.99Å; L692-L732 HydrophobicContact CD1-CB 4.4Å; L692-L732 HydrophobicContact CD1-CD2 3.76Å; L692-L732 HydrophobicContact CD1-CG 3.86Å; S728-L732 PolarHBondContact O-N 3.43Å; S728-L732 VanDerWaalsContact O-N 3.12Å; I729-L732 PolarHBondContact O-N 3.22Å; R730-L732 VanDerWaalsContact C-N 3.28Å; R730-L732 PolarHBondContact O-N 3.08Å; L732-E734 VanDerWaalsContact C-N 3.32Å; L732-E734 PolarHBondContact O-N 3.03Å; L732-A735 PolarHBondContact O-N 3.23Å; L732-E736 HydrophobicContact CD1-CG 4.31Å; L732-E736 WeakPolarHBondContact O-CB 3.41Å; L732-E736 PolarHBondContact O-N 3.43Å
733	M	93.8	Very high	93	Very high	8 Å²	8	77.2 Å²	77.2	4%	0.039	36%	0.363	C	S	.	.	H	α-helix	trans	-59.7	-41.8	172.4	-73.5	171.8	68.1	0	0	111.6	L692 V707 I729 R730 E736 K737 V738 C742	L692-M733 HydrophobicContact CD1-CG 4.29Å; V707-M733 HydrophobicContact CB-CE 4.48Å; V707-M733 HydrophobicContact CB-SD 3.93Å; V707-M733 HydrophobicContact CG2-CE 3.81Å; V707-M733 HydrophobicContact CG2-CG 4.1Å; V707-M733 HydrophobicContact CG2-SD 3.67Å; I729-M733 HydrophobicContact CG2-CG 4.26Å; I729-M733 HydrophobicContact CG2-SD 3.97Å; I729-M733 VanDerWaalsContact O-CG 3.32Å; I729-M733 WeakPolarHBondContact O-CG 3.42Å; I729-M733 PolarHBondContact O-N 3.34Å; R730-M733 WeakPolarHBondContact O-CB 3.37Å; R730-M733 PolarHBondContact O-N 2.73Å; M733-E736 CarbonylContact O-C 3.58Å; M733-K737 CarbonylContact O-C 3.58Å; M733-K737 PolarHBondContact O-N 3.1Å; M733-V738 HydrophobicContact CB-CB 4.16Å; M733-V738 HydrophobicContact CE-CG1 4.06Å; M733-V738 HydrophobicContact CG-CB 4.31Å; M733-V738 HydrophobicContact CG-CG1 4.47Å; M733-V738 PolarHBondContact O-N 3.28Å; M733-C742 HydrophobicContact SD-CB 4.12Å
734	E	93.8	Very high	93.1	Very high	139 Å²	139	73.7 Å²	73.7	65%	0.65	35%	0.349	S	S	*	.	H	α-helix	trans	-64.8	-45.3	175.6	-72.1	174.2	-166.1	0	0	111.9	R730 R731 L732 E736 K737	R730-E734 PolarHBondContact O-N 2.95Å; R731-E734 PolarHBondContact O-N 3.42Å; L732-E734 VanDerWaalsContact C-N 3.32Å; L732-E734 PolarHBondContact O-N 3.03Å; E734-E736 PolarHBondContact O-N 3.35Å; E734-K737 PolarHBondContact O-N 2.93Å
735	A	92.4	Very high	93.2	Very high	68 Å²	68	67.3 Å²	67.3	56%	0.562	33%	0.329	S	S	*	.	H	α-helix	trans	-59.6	-46.1	176.4	0	0	0	0	0	112.6	R731 L732 K737	R731-A735 PolarHBondContact O-N 3.4Å; R731-A735 VanDerWaalsContact O-N 3.08Å; L732-A735 PolarHBondContact O-N 3.23Å; A735-K737 VanDerWaalsContact C-N 3.26Å; A735-K737 PolarHBondContact O-N 3.42Å
736	E	90.8	Very high	93.3	Very high	38 Å²	38	68.4 Å²	68.4	18%	0.178	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	3.8	177.9	-68.4	-56.5	142.1	0	0	114.1	L692 S693 S696 L732 M733 E734 V738 N817	L692-E736 HydrophobicContact CB-CB 4.3Å; L692-E736 HydrophobicContact CB-CG 4.43Å; S693-E736 WeakPolarHBondContact CB-OE2 3.37Å; S693-E736 PolarHBondContact OG-OE2 3.47Å; S696-E736 WeakPolarHBondContact CB-O 3.21Å; S696-E736 PolarHBondContact OG-O 3.33Å; L732-E736 HydrophobicContact CD1-CG 4.31Å; L732-E736 WeakPolarHBondContact O-CB 3.41Å; L732-E736 PolarHBondContact O-N 3.43Å; M733-E736 CarbonylContact O-C 3.58Å; E734-E736 PolarHBondContact O-N 3.35Å; E736-V738 HydrophobicContact CB-CG2 4.31Å; E736-V738 PolarHBondContact O-N 2.98Å; E736-N817 PolarHBondContact O-ND2 2.85Å; E736-N817 PolarHBondContact OE2-ND2 2.92Å
737	K	91.6	Very high	93.3	Very high	160 Å²	160	66.2 Å²	66.2	70%	0.696	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	30.1	176.8	-55.8	175.1	-176.1	173.4	0	113.9	M733 E734 A735 K739	M733-K737 CarbonylContact O-C 3.58Å; M733-K737 PolarHBondContact O-N 3.1Å; E734-K737 PolarHBondContact O-N 2.93Å; A735-K737 VanDerWaalsContact C-N 3.26Å; A735-K737 PolarHBondContact O-N 3.42Å; K737-K739 PolarHBondContact O-N 3.14Å
738	V	92.9	Very high	93.2	Very high	13 Å²	13	66.3 Å²	66.3	8%	0.079	34%	0.337	C	S	.	.			trans	-76.9	110.6	171.5	-179.7	0	0	0	0	108.9	L692 T695 T705 M733 E736	L692-V738 HydrophobicContact CB-CG2 4.03Å; L692-V738 VanDerWaalsContact O-CG2 3.24Å; L692-V738 WeakPolarHBondContact O-CG2 3.49Å; T695-V738 HydrophobicContact CG2-CG1 4.25Å; T705-V738 HydrophobicContact CG2-CG1 3.87Å; M733-V738 HydrophobicContact CB-CB 4.16Å; M733-V738 HydrophobicContact CE-CG1 4.06Å; M733-V738 HydrophobicContact CG-CB 4.31Å; M733-V738 HydrophobicContact CG-CG1 4.47Å; M733-V738 PolarHBondContact O-N 3.28Å; E736-V738 HydrophobicContact CB-CG2 4.31Å; E736-V738 PolarHBondContact O-N 2.98Å
739	K	92.5	Very high	93	Very high	157 Å²	157	67.4 Å²	67.4	68%	0.683	34%	0.341	S	S	*	.			trans	-86	112.2	168.6	-65.4	-172.9	178.4	-174.5	0	108.9	K737	K737-K739 PolarHBondContact O-N 3.14Å
740	G	91.9	Very high	92.7	Very high	35 Å²	35	69.7 Å²	69.7	36%	0.361	35%	0.353	S	S	.	.	S	Bend	trans	-176.8	-171	-176.9	0	0	0	0	0	112.4	T705	T705-G740 CarbonylContact O-C 3.5Å; T705-G740 WeakPolarHBondContact O-CA 3.05Å
741	F	94.2	Very high	92.5	Very high	129 Å²	129	67 Å²	67	57%	0.566	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	149.8	176.5	-55.9	-78.9	0	0	0	110.4	L704 T705 I706 V707	L704-F741 HydrophobicContact CD1-CD2 3.85Å; L704-F741 HydrophobicContact CD1-CE2 3.76Å; T705-F741 PolarHBondContact O-N 3.16Å; I706-F741 CarbonylContact C-O 3.5Å; I706-F741 WeakPolarHBondContact CA-O 3.03Å; V707-F741 PolarHBondContact N-O 2.92Å
742	C	94.8	Very high	92.4	Very high	26 Å²	26	61.9 Å²	61.9	18%	0.176	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	140.2	171.8	-174.4	0	0	0	0	109.1	E726 I729 M733	E726-C742 HydrophobicContact CG-CB 4.13Å; I729-C742 HydrophobicContact CG2-CB 4.46Å; I729-C742 WeakPolarHBondContact CG2-SG 3.21Å; M733-C742 HydrophobicContact SD-CB 4.12Å
743	Q	94.3	Very high	92.4	Very high	59 Å²	59	60 Å²	60	28%	0.276	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	110	177.1	-171.9	174.3	-4.6	0	0	109.1	I706 V707 G708 S709 V745 L757	I706-Q743 HydrophobicContact CG2-CB 4.33Å; V707-Q743 PolarHBondContact O-N 3.26Å; G708-Q743 WeakPolarHBondContact CA-O 3.28Å; S709-Q743 PolarHBondContact N-O 3.3Å; Q743-V745 HydrophobicContact CG-CG2 4.46Å; Q743-L757 HydrophobicContact CB-CD2 4.44Å; Q743-L757 HydrophobicContact CG-CD2 3.84Å
744	V	93.7	Very high	92.3	Very high	29 Å²	29	60.7 Å²	60.7	18%	0.176	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127.1	176.5	-175.2	0	0	0	0	108.7	S709 L711 A722 A725 E726 I729	S709-V744 WeakPolarHBondContact O-CA 3.47Å; L711-V744 HydrophobicContact CD1-CG1 3.98Å; L711-V744 HydrophobicContact CG-CG1 4.12Å; A722-V744 HydrophobicContact CB-CG1 4.1Å; A725-V744 HydrophobicContact CB-CG1 4.41Å; E726-V744 HydrophobicContact CB-CG2 3.85Å; E726-V744 HydrophobicContact CG-CG2 4.07Å; I729-V744 HydrophobicContact CD1-CG2 3.97Å
745	V	93.9	Very high	92.3	Very high	39 Å²	39	54.7 Å²	54.7	24%	0.236	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	135	179.8	174.4	0	0	0	0	109.4	S709 V710 L711 Q743 L757	S709-V745 PolarHBondContact O-N 3.02Å; V710-V745 CarbonylContact C-O 3.54Å; V710-V745 WeakPolarHBondContact CA-O 3.46Å; L711-V745 PolarHBondContact N-O 3.23Å; Q743-V745 HydrophobicContact CG-CG2 4.46Å; V745-L757 HydrophobicContact CG2-CD2 3.63Å; V745-L757 HydrophobicContact CG2-CG 4.1Å
746	I	94.1	Very high	92.4	Very high	24 Å²	24	56.4 Å²	56.4	12%	0.123	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	130.6	170	-53.7	174.9	0	0	0	107.8	L711 G713 F715 N718 A722	L711-I746 HydrophobicContact CB-CG1 4.44Å; L711-I746 WeakPolarHBondContact O-CA 3.29Å; G713-I746 WeakPolarHBondContact O-CG2 3.2Å; F715-I746 HydrophobicContact CB-CB 4.47Å; F715-I746 HydrophobicContact CB-CD1 4.5Å; F715-I746 HydrophobicContact CD2-CB 4.34Å; F715-I746 HydrophobicContact CD2-CD1 3.83Å; F715-I746 HydrophobicContact CD2-CG1 4.35Å; F715-I746 HydrophobicContact CG-CD1 4.45Å; N718-I746 HydrophobicContact CB-CD1 4.02Å; N718-I746 HydrophobicContact CB-CG2 4.46Å; A722-I746 HydrophobicContact CB-CD1 3.72Å; A722-I746 HydrophobicContact CB-CG1 3.85Å
747	S	93.3	Very high	92.5	Very high	15 Å²	15	54.7 Å²	54.7	11%	0.105	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	145.4	179.1	-180	0	0	0	0	110.6	L711 E712 G713 N749 G753	L711-S747 PolarHBondContact O-N 3.09Å; E712-S747 CarbonylContact C-O 3.55Å; E712-S747 VanDerWaalsContact CA-O 3.31Å; E712-S747 WeakPolarHBondContact CA-O 3.14Å; G713-S747 PolarHBondContact N-O 3.33Å; G713-S747 CarbonylContact O-C 3.6Å; G713-S747 VanDerWaalsContact O-C 3.23Å; S747-N749 WeakPolarHBondContact CB-O 3.34Å; S747-N749 PolarHBondContact O-N 3.33Å; S747-N749 PolarHBondContact OG-N 3.07Å; S747-N749 PolarHBondContact OG-O 3.36Å; S747-G753 PolarHBondContact OG-N 2.97Å
748	S	90.6	Very high	92.6	Very high	99 Å²	99	47.4 Å²	47.4	69%	0.692	25%	0.252	S	S	*	.	S	Bend	trans	-66.1	-18.7	172.7	53.1	0	0	0	0	113.3	G713	G713-S748 PolarHBondContact O-N 3.02Å
749	N	90.1	Very high	92.6	Very high	50 Å²	50	53.8 Å²	53.8	27%	0.267	28%	0.281	S	S	.	.	S	Bend	trans	-135.6	128.2	177	178.9	6.1	0	0	0	109.8	S747 R751 D752 G753	S747-N749 WeakPolarHBondContact CB-O 3.34Å; S747-N749 PolarHBondContact O-N 3.33Å; S747-N749 PolarHBondContact OG-N 3.07Å; S747-N749 PolarHBondContact OG-O 3.36Å; N749-R751 VanDerWaalsContact C-N 3.28Å; N749-R751 PolarHBondContact O-N 2.78Å; N749-R751 PolarHBondContact OD1-N 2.99Å; N749-R751 VanDerWaalsContact OD1-N 3.09Å; N749-D752 HydrophobicContact CB-CB 4.45Å; N749-D752 WeakPolarHBondContact CB-OD2 3.48Å; N749-D752 VanDerWaalsContact ND2-CG 3.29Å; N749-D752 PolarHBondContact ND2-OD1 2.71Å; N749-D752 PolarHBondContact ND2-OD2 3.22Å; N749-D752 PolarHBondContact O-N 3.34Å; N749-G753 PolarHBondContact O-N 3.46Å; N749-G753 VanDerWaalsContact O-N 3.14Å
750	L	87.4	Confident	92.5	Very high	49 Å²	49	49.7 Å²	49.7	26%	0.257	27%	0.272	S	S	.	.	H	α-helix	trans	-57.2	-39.8	178.2	-172.9	71.4	0	0	0	112.3	V710 V754	V710-L750 HydrophobicContact CB-CD1 3.87Å; V710-L750 HydrophobicContact CG1-CD1 3.91Å; L750-V754 WeakPolarHBondContact O-CG2 3.38Å; L750-V754 PolarHBondContact O-N 3.43Å; L750-V754 VanDerWaalsContact O-N 3.07Å
751	R	89.5	Confident	92.4	Very high	71 Å²	71	48.1 Å²	48.1	27%	0.268	26%	0.256	S	S	.	.	H	α-helix	trans	-60.5	-54.4	-179.8	175.7	179.2	173.4	-87.7	1.1	111.1	N749 G753 V754 S755 E793	N749-R751 VanDerWaalsContact C-N 3.28Å; N749-R751 PolarHBondContact O-N 2.78Å; N749-R751 PolarHBondContact OD1-N 2.99Å; N749-R751 VanDerWaalsContact OD1-N 3.09Å; R751-G753 VanDerWaalsContact C-N 3.29Å; R751-G753 PolarHBondContact O-N 3.04Å; R751-V754 PolarHBondContact O-N 2.97Å; R751-V754 VanDerWaalsContact O-N 3.15Å; R751-S755 PolarHBondContact O-N 2.78Å; R751-E793 IonicContact CZ-OE2 3.67Å; R751-E793 IonicContact NE-OE2 3.57Å; R751-E793 PolarHBondContact NE-OE2 2.82Å; R751-E793 IonicContact NH2-OE2 3.97Å; R751-E793 PolarHBondContact NH2-OE2 2.66Å
752	D	91.6	Very high	92.1	Very high	53 Å²	53	43.6 Å²	43.6	28%	0.283	25%	0.246	S	C	.	.	H	α-helix	trans	-69.4	-32.5	-173.2	-50.7	-32	0	0	0	110.7	N749 S755 H756	N749-D752 HydrophobicContact CB-CB 4.45Å; N749-D752 WeakPolarHBondContact CB-OD2 3.48Å; N749-D752 VanDerWaalsContact ND2-CG 3.29Å; N749-D752 PolarHBondContact ND2-OD1 2.71Å; N749-D752 PolarHBondContact ND2-OD2 3.22Å; N749-D752 PolarHBondContact O-N 3.34Å; D752-S755 WeakPolarHBondContact O-CB 3.44Å; D752-S755 PolarHBondContact O-N 3.01Å; D752-H756 PolarHBondContact O-N 2.68Å; D752-H756 PolarHBondContact O-ND1 3.16Å; D752-H756 VanDerWaalsContact O-ND1 3.16Å
753	G	92.6	Very high	91.8	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.8	-39.9	171.2	0	0	0	0	0	113.7	S747 N749 R751 L757	S747-G753 PolarHBondContact OG-N 2.97Å; N749-G753 PolarHBondContact O-N 3.46Å; N749-G753 VanDerWaalsContact O-N 3.14Å; R751-G753 VanDerWaalsContact C-N 3.29Å; R751-G753 PolarHBondContact O-N 3.04Å; G753-L757 PolarHBondContact O-N 2.03Å; G753-L757 VanDerWaalsContact O-N 3.13Å
754	V	92.4	Very high	91.3	Very high	22 Å²	22	46.7 Å²	46.7	13%	0.133	27%	0.269	C	S	.	.	H	α-helix	trans	-68.4	-43.6	174.2	169.4	0	0	0	0	110.7	L677 V710 L750 R751 H756 L757 I758 L794	L677-V754 HydrophobicContact CD1-CG1 3.91Å; V710-V754 HydrophobicContact CB-CG2 4.47Å; V710-V754 HydrophobicContact CG2-CG2 3.79Å; L750-V754 WeakPolarHBondContact O-CG2 3.38Å; L750-V754 PolarHBondContact O-N 3.43Å; L750-V754 VanDerWaalsContact O-N 3.07Å; R751-V754 PolarHBondContact O-N 2.97Å; R751-V754 VanDerWaalsContact O-N 3.15Å; V754-H756 VanDerWaalsContact C-N 3.3Å; V754-H756 PolarHBondContact O-N 3.23Å; V754-L757 PolarHBondContact O-N 3.08Å; V754-L757 VanDerWaalsContact O-N 3.1Å; V754-I758 HydrophobicContact CG1-CD1 3.79Å; V754-I758 HydrophobicContact CG1-CG1 4.4Å; V754-I758 WeakPolarHBondContact O-CG1 3.18Å; V754-I758 PolarHBondContact O-N 3.37Å; V754-L794 HydrophobicContact CG1-CD1 4.02Å; V754-L794 HydrophobicContact CG1-CG 4.2Å
755	S	94	Very high	90.7	Very high	12 Å²	12	47.4 Å²	47.4	8%	0.084	28%	0.283	C	S	.	.	H	α-helix	trans	-55.5	-45.5	175.9	-160.8	0	0	0	0	111.6	R751 D752 I758 Q759 E797	R751-S755 PolarHBondContact O-N 2.78Å; D752-S755 WeakPolarHBondContact O-CB 3.44Å; D752-S755 PolarHBondContact O-N 3.01Å; S755-I758 PolarHBondContact O-N 2.91Å; S755-Q759 WeakPolarHBondContact O-CG 3.34Å; S755-Q759 PolarHBondContact O-N 3.01Å; S755-Q759 VanDerWaalsContact O-N 3.09Å; S755-Q759 PolarHBondContact O-NE2 2.88Å; S755-Q759 PolarHBondContact OG-NE2 3.02Å; S755-Q759 VanDerWaalsContact OG-NE2 3.1Å; S755-E797 WeakPolarHBondContact CA-OE2 3.37Å; S755-E797 WeakPolarHBondContact CB-OE1 3.27Å; S755-E797 WeakPolarHBondContact CB-OE2 3.42Å; S755-E797 PolarHBondContact OG-OE1 3.03Å; S755-E797 PolarHBondContact OG-OE2 3.12Å
756	H	94.1	Very high	90.4	Very high	105 Å²	105	48.9 Å²	48.9	49%	0.486	29%	0.289	S	S	.	.	H	α-helix	trans	-64.4	-39.7	175.3	-63.8	152.6	0	0	0	112.9	D752 V754 Q759 S760	D752-H756 PolarHBondContact O-N 2.68Å; D752-H756 PolarHBondContact O-ND1 3.16Å; D752-H756 VanDerWaalsContact O-ND1 3.16Å; V754-H756 VanDerWaalsContact C-N 3.3Å; V754-H756 PolarHBondContact O-N 3.23Å; H756-Q759 PolarHBondContact O-N 3.49Å; H756-S760 WeakPolarHBondContact O-CB 3.24Å; H756-S760 PolarHBondContact O-N 3.39Å; H756-S760 PolarHBondContact O-OG 3.39Å
757	L	93.7	Very high	90.2	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-63	-41.2	175.8	-80.2	177.3	0	0	0	112.5	L675 L677 V710 Q743 V745 G753 V754 Q759 G761	L675-L757 HydrophobicContact CD2-CB 4.49Å; L677-L757 HydrophobicContact CD2-CD1 4.11Å; V710-L757 HydrophobicContact CG2-CD1 3.47Å; V710-L757 VanDerWaalsContact CG2-CD1 3.47Å; V710-L757 HydrophobicContact CG2-CG 4.37Å; Q743-L757 HydrophobicContact CB-CD2 4.44Å; Q743-L757 HydrophobicContact CG-CD2 3.84Å; V745-L757 HydrophobicContact CG2-CD2 3.63Å; V745-L757 HydrophobicContact CG2-CG 4.1Å; G753-L757 PolarHBondContact O-N 2.03Å; G753-L757 VanDerWaalsContact O-N 3.13Å; V754-L757 PolarHBondContact O-N 3.08Å; V754-L757 VanDerWaalsContact O-N 3.1Å; L757-Q759 VanDerWaalsContact C-N 3.32Å; L757-Q759 PolarHBondContact O-N 3.25Å; L757-G761 WeakPolarHBondContact O-CA 3.35Å; L757-G761 PolarHBondContact O-N 2.96Å
758	I	94	Very high	90.2	Very high	8 Å²	8	53.2 Å²	53.2	4%	0.041	31%	0.307	C	S	.	.	H	α-helix	trans	-65.1	-37	177.5	-65.8	169	0	0	0	110.9	L675 V754 S755 H768 V771 L794 L803	L675-I758 HydrophobicContact CD2-CG1 4.28Å; V754-I758 HydrophobicContact CG1-CD1 3.79Å; V754-I758 HydrophobicContact CG1-CG1 4.4Å; V754-I758 WeakPolarHBondContact O-CG1 3.18Å; V754-I758 PolarHBondContact O-N 3.37Å; S755-I758 PolarHBondContact O-N 2.91Å; I758-H768 PolarHBondContact O-CE1 2.93Å; I758-H768 PolarHBondContact O-NE2 3.14Å; I758-V771 HydrophobicContact CG1-CG2 4.32Å; I758-V771 HydrophobicContact CG2-CG2 4.48Å; I758-L794 HydrophobicContact CD1-CG 4.19Å; I758-L803 HydrophobicContact CG2-CD1 3.57Å
759	Q	91.3	Very high	90.3	Very high	146 Å²	146	50.4 Å²	50.4	68%	0.682	29%	0.285	S	S	*	.	H	α-helix	trans	-83.9	-30.6	-178.5	-66.5	174.2	52	0	0	114.1	S755 H756 L757	S755-Q759 WeakPolarHBondContact O-CG 3.34Å; S755-Q759 PolarHBondContact O-N 3.01Å; S755-Q759 VanDerWaalsContact O-N 3.09Å; S755-Q759 PolarHBondContact O-NE2 2.88Å; S755-Q759 PolarHBondContact OG-NE2 3.02Å; S755-Q759 VanDerWaalsContact OG-NE2 3.1Å; H756-Q759 PolarHBondContact O-N 3.49Å; L757-Q759 VanDerWaalsContact C-N 3.32Å; L757-Q759 PolarHBondContact O-N 3.25Å
760	S	91.4	Very high	90.4	Very high	72 Å²	72	48 Å²	48	50%	0.503	27%	0.272	S	S	.	.	H	α-helix	trans	-115.3	2	-171.1	69.2	0	0	0	0	115.5	H756 G762	H756-S760 WeakPolarHBondContact O-CB 3.24Å; H756-S760 PolarHBondContact O-N 3.39Å; H756-S760 PolarHBondContact O-OG 3.39Å; S760-G762 PolarHBondContact O-N 3.24Å
761	G	89	Confident	90.9	Very high	2 Å²	2	45.7 Å²	45.7	2%	0.021	26%	0.26	C	S	.	.			trans	-69.9	91.8	-178.4	0	0	0	0	0	114.3	L757 H768	L757-G761 WeakPolarHBondContact O-CA 3.35Å; L757-G761 PolarHBondContact O-N 2.96Å; G761-H768 PolarHBondContact O-ND1 3.25Å
762	G	88.4	Confident	91.2	Very high	34 Å²	34	42.4 Å²	42.4	35%	0.351	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	147.8	-167.8	174.3	0	0	0	0	0	113	S760 L766	S760-G762 PolarHBondContact O-N 3.24Å; G762-L766 VanDerWaalsContact CA-O 3.31Å; G762-L766 WeakPolarHBondContact CA-O 3.15Å
763	L	88.4	Confident	91.3	Very high	117 Å²	117	40.6 Å²	40.6	61%	0.613	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-147.1	122.9	174.7	-176.5	61.7	0	0	0	111.1	L657 G765 L766	L657-L763 HydrophobicContact CD1-CD2 3.74Å; L657-L763 HydrophobicContact CD1-CG 4.22Å; L763-G765 PolarHBondContact O-N 3.23Å; L763-L766 PolarHBondContact N-O 3.45Å; L763-L766 WeakPolarHBondContact O-CB 3.33Å; L763-L766 PolarHBondContact O-N 3.15Å
764	G	83.1	Confident	91.2	Very high	32 Å²	32	41.4 Å²	41.4	33%	0.33	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	-131.9	-177.7	0	0	0	0	0	111.6	L766 Q767	G764-L766 PolarHBondContact O-N 3.01Å; G764-Q767 WeakPolarHBondContact O-CG 3.38Å; G764-Q767 PolarHBondContact O-NE2 2.84Å
765	G	81.2	Confident	91.2	Very high	45 Å²	45	41.3 Å²	41.3	46%	0.464	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-4.8	174.2	0	0	0	0	0	115.8	L763 Q767	L763-G765 PolarHBondContact O-N 3.23Å; G765-Q767 PolarHBondContact O-N 3.25Å
766	L	88.3	Confident	90.9	Very high	70 Å²	70	41.5 Å²	41.5	37%	0.366	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	75.7	178	-170	67.9	0	0	0	110.5	L657 L704 G762 L763 G764	L657-L766 HydrophobicContact CD2-CB 3.6Å; L657-L766 HydrophobicContact CD2-CD2 4.24Å; L704-L766 HydrophobicContact CB-CD1 4.4Å; L704-L766 HydrophobicContact CD1-CD1 4.19Å; L704-L766 HydrophobicContact CD1-CD2 4.34Å; L704-L766 HydrophobicContact CD1-CG 4.1Å; L704-L766 HydrophobicContact CD2-CD1 4.04Å; L704-L766 HydrophobicContact CD2-CG 4.01Å; L704-L766 HydrophobicContact CG-CD1 4.44Å; G762-L766 VanDerWaalsContact CA-O 3.31Å; G762-L766 WeakPolarHBondContact CA-O 3.15Å; L763-L766 PolarHBondContact N-O 3.45Å; L763-L766 WeakPolarHBondContact O-CB 3.33Å; L763-L766 PolarHBondContact O-N 3.15Å; G764-L766 PolarHBondContact O-N 3.01Å
767	Q	89.8	Confident	90	Very high	119 Å²	119	43 Å²	43	56%	0.556	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-117.6	159.7	-178.6	-69.4	173.9	8.5	0	0	112.3	L704 G764 G765	L704-Q767 WeakPolarHBondContact CD2-O 3.38Å; G764-Q767 WeakPolarHBondContact O-CG 3.38Å; G764-Q767 PolarHBondContact O-NE2 2.84Å; G765-Q767 PolarHBondContact O-N 3.25Å
768	H	93.3	Very high	89.1	Confident	11 Å²	11	47.7 Å²	47.7	5%	0.051	27%	0.271	C	S	.	.			trans	-74.1	152.8	167.7	69.8	-78.9	0	0	0	110.7	L675 I758 G761	L675-H768 HydrophobicContact CB-CB 3.86Å; L675-H768 WeakPolarHBondContact CB-CD2 3.16Å; L675-H768 WeakPolarHBondContact CD2-NE2 3.1Å; I758-H768 PolarHBondContact O-CE1 2.93Å; I758-H768 PolarHBondContact O-NE2 3.14Å; G761-H768 PolarHBondContact O-ND1 3.25Å
769	N	91.8	Very high	88.5	Confident	40 Å²	40	47.9 Å²	47.9	21%	0.214	27%	0.271	C	S	.	.			trans	-128.9	-1.3	175.1	71.4	8.4	0	0	0	112.9	W670 R671 Q673 A804	W670-N769 PolarHBondContact NE1-ND2 3.3Å; R671-N769 PolarHBondContact O-ND2 2.82Å; Q673-N769 PolarHBondContact N-OD1 3.12Å; Q673-N769 PolarHBondContact O-N 2.8Å; Q673-N769 PolarHBondContact O-OD1 3.31Å; N769-A804 PolarHBondContact O-N 2.69Å
770	T	94.1	Very high	87.9	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	125.7	-176.1	-52.4	0	0	0	0	108.8	W670 Q673 L674 L675 A804 L806	W670-T770 VanDerWaalsContact CZ2-OG1 3.3Å; W670-T770 WeakPolarHBondContact CZ2-OG1 3.5Å; Q673-T770 PolarHBondContact O-N 3.31Å; L674-T770 CarbonylContact C-O 3.19Å; L674-T770 WeakPolarHBondContact CA-O 3.43Å; L674-T770 HydrophobicContact CD2-CG2 3.73Å; L675-T770 PolarHBondContact N-O 3.44Å; T770-A804 CarbonylContact C-O 3.57Å; T770-A804 VanDerWaalsContact CA-O 3.25Å; T770-A804 WeakPolarHBondContact CA-O 3.47Å; T770-A804 HydrophobicContact CG2-CB 4.09Å; T770-L806 HydrophobicContact CG2-CD1 3.66Å; T770-L806 HydrophobicContact CG2-CG 3.7Å
771	V	96.3	Very high	87.3	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	128.5	172	-178.7	0	0	0	0	108.9	L675 L677 I758 T798 L803 A804 L805 L806	L675-V771 CarbonylContact O-C 3.59Å; L675-V771 WeakPolarHBondContact O-CA 3.37Å; L677-V771 HydrophobicContact CD1-CG1 3.68Å; L677-V771 HydrophobicContact CG-CG1 4.2Å; I758-V771 HydrophobicContact CG1-CG2 4.32Å; I758-V771 HydrophobicContact CG2-CG2 4.48Å; V771-T798 HydrophobicContact CB-CG2 3.97Å; V771-T798 HydrophobicContact CG2-CG2 3.75Å; V771-L803 HydrophobicContact CG2-CD1 4.14Å; V771-A804 PolarHBondContact N-O 3.09Å; V771-L805 HydrophobicContact CB-CD1 4.06Å; V771-L805 HydrophobicContact CG1-CD1 4.19Å; V771-L806 PolarHBondContact O-N 3.45Å
772	L	95.6	Very high	85.8	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.01	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	122.2	174.8	174.4	62.8	0	0	0	109.5	L675 V676 L677 L691 T695 L806 T808	L675-L772 PolarHBondContact O-N 2.9Å; V676-L772 HydrophobicContact CG1-CD2 4.18Å; V676-L772 HydrophobicContact CG1-CG 4.39Å; V676-L772 HydrophobicContact CG2-CB 4.43Å; V676-L772 HydrophobicContact CG2-CD2 4.18Å; L677-L772 PolarHBondContact N-O 3.1Å; L691-L772 HydrophobicContact CD1-CD1 4.09Å; L691-L772 HydrophobicContact CD1-CD2 4.11Å; L691-L772 HydrophobicContact CD1-CG 3.9Å; L691-L772 HydrophobicContact CG-CD2 4.37Å; L691-L772 HydrophobicContact CG-CG 4.37Å; T695-L772 WeakPolarHBondContact OG1-CD2 3.4Å; L772-L806 WeakPolarHBondContact CA-O 3.4Å; L772-L806 HydrophobicContact CD1-CB 3.71Å; L772-T808 HydrophobicContact CD1-CG2 3.88Å
773	V	94.1	Very high	84.5	Confident	15 Å²	15	65.3 Å²	65.3	9%	0.091	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	153.5	-177	68.7	0	0	0	0	111.6	L677 F791 L794 L805 L806 V807 T808	L677-V773 HydrophobicContact CB-CG2 4.36Å; V773-F791 HydrophobicContact CG1-CE2 4.1Å; V773-L794 HydrophobicContact CG1-CD2 4.27Å; V773-L794 HydrophobicContact CG2-CD1 4.04Å; V773-L805 HydrophobicContact CG1-CD1 4.16Å; V773-L806 PolarHBondContact N-O 2.7Å; V773-V807 HydrophobicContact CG1-CB 4.38Å; V773-V807 HydrophobicContact CG1-CG1 4.25Å; V773-V807 HydrophobicContact CG1-CG2 3.86Å; V773-V807 WeakPolarHBondContact O-CA 3.17Å; V773-T808 PolarHBondContact O-N 3.08Å; V773-T808 PolarHBondContact O-OG1 3.29Å; V773-T808 VanDerWaalsContact O-OG1 3.07Å
774	G	91.9	Very high	83.3	Confident	16 Å²	16	62.9 Å²	62.9	17%	0.165	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	148.4	171.6	0	0	0	0	0	112.4
775	W	90.5	Very high	82.7	Confident	21 Å²	21	65.3 Å²	65.3	8%	0.08	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-61.5	136.7	173.5	-173.3	-106.9	0	0	0	111.7	R777 W779 F791 V807 T808 K809 M1087 L1090 E1091 L1102	W775-R777 PolarHBondContact O-N 3.12Å; W775-W779 AromaticContact CZ2-NE1 3.95Å; W775-F791 HydrophobicContact CE3-CE1 4.32Å; W775-F791 HydrophobicContact CE3-CZ 4.09Å; W775-F791 AromaticContact CZ3-CE1 3.84Å; W775-F791 HydrophobicContact CZ3-CE1 3.84Å; W775-F791 AromaticContact CZ3-CZ 3.94Å; W775-F791 HydrophobicContact CZ3-CZ 3.94Å; W775-V807 HydrophobicContact CE3-CG1 3.94Å; W775-T808 WeakPolarHBondContact CB-O 3.49Å; W775-T808 PolarHBondContact N-O 3.33Å; W775-K809 HydrophobicContact CB-CB 4.27Å; W775-K809 HydrophobicContact CB-CG 4.17Å; W775-K809 HydrophobicContact CD2-CG 4.45Å; W775-K809 HydrophobicContact CG-CB 4.47Å; W775-K809 HydrophobicContact CG-CG 3.95Å; W775-M1087 HydrophobicContact CH2-CE 3.52Å; W775-M1087 HydrophobicContact CH2-SD 4.03Å; W775-M1087 HydrophobicContact CZ2-CE 3.52Å; W775-M1087 HydrophobicContact CZ3-CE 4.31Å; W775-L1090 HydrophobicContact CH2-CB 3.68Å; W775-L1090 HydrophobicContact CH2-CD1 3.99Å; W775-L1090 HydrophobicContact CZ3-CB 4.32Å; W775-L1090 HydrophobicContact CZ3-CD1 4.05Å; W775-E1091 WeakPolarHBondContact CZ2-OE2 3.37Å; W775-E1091 PolarHBondContact NE1-OE2 3Å; W775-L1102 HydrophobicContact CE3-CD1 4.47Å; W775-L1102 HydrophobicContact CZ3-CD1 4.3Å
776	P	88.2	Confident	82.5	Confident	15 Å²	15	68.2 Å²	68.2	10%	0.097	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-65.2	119.1	175	27.1	-34.3	0	0	0	110.9	F791 M1087	P776-F791 HydrophobicContact CG-CB 4.28Å; P776-F791 HydrophobicContact CG-CD1 4.23Å; P776-F791 HydrophobicContact CG-CG 4.1Å; P776-M1087 HydrophobicContact CG-CE 3.93Å
777	R	75.5	Confident	82.1	Confident	138 Å²	138	66.4 Å²	66.4	52%	0.521	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	151.9	172.6	-71.8	-178.3	170	-178.9	-4.1	110.8	W775 W779 S812	W775-R777 PolarHBondContact O-N 3.12Å; R777-W779 PolarHBondContact O-N 3.4Å; R777-S812 VanDerWaalsContact NH2-CB 3.33Å; R777-S812 PolarHBondContact NH2-OG 3.49Å
778	N	74.8	Confident	81.8	Confident	99 Å²	99	61.1 Å²	61.1	53%	0.529	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	17.9	169.3	-62.9	1.4	0	0	0	116.7	R780 Q781	N778-R780 PolarHBondContact O-N 3.45Å; N778-Q781 HydrophobicContact CB-CG 4.25Å; N778-Q781 WeakPolarHBondContact O-CB 3.15Å; N778-Q781 WeakPolarHBondContact O-CG 3.49Å; N778-Q781 PolarHBondContact O-N 3.05Å
779	W	81.9	Confident	81.5	Confident	12 Å²	12	66.4 Å²	66.4	5%	0.045	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-20.4	-172.9	70.8	-94.8	0	0	0	115.7	W775 R777 Q781 W788 M1087 E1088 E1091	W775-W779 AromaticContact CZ2-NE1 3.95Å; R777-W779 PolarHBondContact O-N 3.4Å; W779-Q781 VanDerWaalsContact C-N 3.26Å; W779-Q781 PolarHBondContact O-N 2.91Å; W779-W788 HydrophobicContact CB-CB 3.93Å; W779-W788 HydrophobicContact CB-CG 4.4Å; W779-W788 HydrophobicContact CE3-CG 4.29Å; W779-M1087 HydrophobicContact CD2-CB 4.41Å; W779-M1087 HydrophobicContact CD2-CE 3.89Å; W779-M1087 HydrophobicContact CE3-CB 4.13Å; W779-M1087 HydrophobicContact CG-CE 3.96Å; W779-M1087 HydrophobicContact CH2-CB 3.51Å; W779-M1087 HydrophobicContact CZ2-CB 3.82Å; W779-M1087 HydrophobicContact CZ2-CE 4.48Å; W779-M1087 HydrophobicContact CZ3-CB 3.69Å; W779-E1088 HydrophobicContact CH2-CG 3.85Å; W779-E1088 WeakPolarHBondContact CH2-OE1 3.39Å; W779-E1091 HydrophobicContact CZ2-CB 3.95Å; W779-E1091 HydrophobicContact CZ2-CG 4.2Å; W779-E1091 PolarHBondContact NE1-OE2 2.87Å
780	R	79.1	Confident	81.4	Confident	129 Å²	129	65.8 Å²	65.8	49%	0.487	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-6.7	172.1	-72.3	-179	170.1	156.1	-2	114.2	N778 E1088	N778-R780 PolarHBondContact O-N 3.45Å; R780-E1088 IonicContact CZ-OE1 2.66Å; R780-E1088 IonicContact CZ-OE2 2.77Å; R780-E1088 IonicContact NE-OE1 3.61Å; R780-E1088 PolarHBondContact NE-OE1 3.16Å; R780-E1088 IonicContact NE-OE2 2.92Å; R780-E1088 IonicContact NH2-OE1 3.6Å; R780-E1088 IonicContact NH2-OE2 3.51Å; R780-E1088 PolarHBondContact NH2-OE2 2.9Å
781	Q	78.1	Confident	81.3	Confident	107 Å²	107	66.3 Å²	66.3	50%	0.5	30%	0.303	S	S	.	.	S	Bend	trans	-80.8	133.5	176.6	-66	-178.3	-6.5	0	0	110.6	N778 W779 E783 D784	N778-Q781 HydrophobicContact CB-CG 4.25Å; N778-Q781 WeakPolarHBondContact O-CB 3.15Å; N778-Q781 WeakPolarHBondContact O-CG 3.49Å; N778-Q781 PolarHBondContact O-N 3.05Å; W779-Q781 VanDerWaalsContact C-N 3.26Å; W779-Q781 PolarHBondContact O-N 2.91Å; Q781-E783 PolarHBondContact O-N 2.9Å; Q781-E783 VanDerWaalsContact O-N 3.07Å; Q781-D784 PolarHBondContact O-N 3.4Å
782	K	57.3	Low	81	Confident	190 Å²	190	66.3 Å²	66.3	83%	0.826	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.9	-168.6	-74.3	-174.1	174.3	-178.4	0	115.5	H785	K782-H785 PolarHBondContact O-CD2 3.18Å; K782-H785 VanDerWaalsContact O-CD2 3.28Å
783	E	60.5	Low	80.7	Confident	194 Å²	194	67 Å²	67	91%	0.907	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-19.3	-177.1	-65.4	175.2	179.7	0	0	112.3	Q781	Q781-E783 PolarHBondContact O-N 2.9Å; Q781-E783 VanDerWaalsContact O-N 3.07Å
784	D	63.3	Low	80.7	Confident	65 Å²	65	67 Å²	67	35%	0.348	31%	0.305	S	S	.	.			trans	-104.8	22.1	-165.5	-101.6	-29.3	0	0	0	115.1	Q781 Q786 T787	Q781-D784 PolarHBondContact O-N 3.4Å; D784-Q786 PolarHBondContact O-N 3.44Å; D784-T787 HydrophobicContact CB-CG2 4.25Å; D784-T787 PolarHBondContact O-N 2.97Å; D784-T787 PolarHBondContact O-OG1 3.25Å; D784-T787 WeakPolarHBondContact OD1-CG2 3.35Å
785	H	72.1	Confident	80.7	Confident	83 Å²	83	66.2 Å²	66.2	38%	0.384	30%	0.298	S	S	.	.	H	α-helix	trans	-54	-23.9	-174.3	-87.4	-131.8	0	0	0	115.3	K782 R789	K782-H785 PolarHBondContact O-CD2 3.18Å; K782-H785 VanDerWaalsContact O-CD2 3.28Å; H785-R789 WeakPolarHBondContact O-CD 3.35Å; H785-R789 WeakPolarHBondContact O-CG 3.12Å
786	Q	75.9	Confident	80.7	Confident	107 Å²	107	67.1 Å²	67.1	50%	0.5	30%	0.301	S	S	.	.	H	α-helix	trans	-76.4	-29.5	177.9	-166.7	61.3	28.5	0	0	112.8	D784 N790	D784-Q786 PolarHBondContact O-N 3.44Å; Q786-N790 PolarHBondContact NE2-OD1 3.03Å; Q786-N790 WeakPolarHBondContact O-CB 3.45Å; Q786-N790 PolarHBondContact O-N 2.92Å; Q786-N790 PolarHBondContact O-OD1 3.17Å
787	T	79.7	Confident	80.9	Confident	31 Å²	31	68 Å²	68	19%	0.19	30%	0.304	C	S	.	.	H	α-helix	trans	-69.1	-46.5	-170.7	63.1	0	0	0	0	112.7	D784 N790 F791	D784-T787 HydrophobicContact CB-CG2 4.25Å; D784-T787 PolarHBondContact O-N 2.97Å; D784-T787 PolarHBondContact O-OG1 3.25Å; D784-T787 WeakPolarHBondContact OD1-CG2 3.35Å; T787-N790 PolarHBondContact O-N 3.41Å; T787-F791 PolarHBondContact O-N 3.29Å; T787-F791 VanDerWaalsContact O-N 3.1Å
788	W	84.6	Confident	81.7	Confident	8 Å²	8	61.4 Å²	61.4	3%	0.03	28%	0.279	C	S	.	.	H	α-helix	trans	-75.8	-29.2	179.3	64.9	-100.1	0	0	0	112.7	W779 F791 I792 D1083 E1084 M1087	W779-W788 HydrophobicContact CB-CB 3.93Å; W779-W788 HydrophobicContact CB-CG 4.4Å; W779-W788 HydrophobicContact CE3-CG 4.29Å; W788-F791 WeakPolarHBondContact O-CB 3.46Å; W788-F791 PolarHBondContact O-N 3.04Å; W788-I792 HydrophobicContact CE3-CD1 3.58Å; W788-I792 HydrophobicContact CZ3-CD1 3.68Å; W788-I792 WeakPolarHBondContact O-CG1 3.21Å; W788-I792 PolarHBondContact O-N 2.97Å; W788-D1083 HydrophobicContact CH2-CB 4.46Å; W788-D1083 HydrophobicContact CZ3-CB 3.83Å; W788-E1084 HydrophobicContact CH2-CB 3.83Å; W788-E1084 HydrophobicContact CH2-CG 4.42Å; W788-E1084 HydrophobicContact CZ2-CB 4.46Å; W788-E1084 HydrophobicContact CZ3-CB 4.38Å; W788-M1087 HydrophobicContact CB-CE 4.31Å; W788-M1087 HydrophobicContact CE3-CG 4.05Å
789	R	87.2	Confident	82.4	Confident	123 Å²	123	58.6 Å²	58.6	46%	0.464	27%	0.265	S	S	.	.	H	α-helix	trans	-63.6	-45.2	169.7	-72.6	178.7	174.4	-173.9	-3.4	111.6	H785 F791 I792 E793	H785-R789 WeakPolarHBondContact O-CD 3.35Å; H785-R789 WeakPolarHBondContact O-CG 3.12Å; R789-F791 VanDerWaalsContact C-N 3.26Å; R789-F791 PolarHBondContact O-N 3.09Å; R789-I792 PolarHBondContact O-N 3.46Å; R789-E793 WeakPolarHBondContact O-CG 3.42Å; R789-E793 PolarHBondContact O-N 3.43Å
790	N	88.7	Confident	82.8	Confident	27 Å²	27	61.6 Å²	61.6	14%	0.144	29%	0.293	C	S	.	.	H	α-helix	trans	-60	-37.5	173.4	-70.8	-6.3	0	0	0	111.4	Q786 T787 L794	Q786-N790 PolarHBondContact NE2-OD1 3.03Å; Q786-N790 WeakPolarHBondContact O-CB 3.45Å; Q786-N790 PolarHBondContact O-N 2.92Å; Q786-N790 PolarHBondContact O-OD1 3.17Å; T787-N790 PolarHBondContact O-N 3.41Å; N790-L794 WeakPolarHBondContact O-CB 3.26Å; N790-L794 PolarHBondContact O-N 3.07Å
791	F	91.1	Very high	83.2	Confident	10 Å²	10	57.6 Å²	57.6	4%	0.044	29%	0.291	C	S	.	.	H	α-helix	trans	-65.3	-44.9	174.2	173.1	-101.3	0	0	0	113	V773 W775 P776 T787 W788 R789 E793 L794 V795 V807 M1073 M1087	V773-F791 HydrophobicContact CG1-CE2 4.1Å; W775-F791 HydrophobicContact CE3-CE1 4.32Å; W775-F791 HydrophobicContact CE3-CZ 4.09Å; W775-F791 AromaticContact CZ3-CE1 3.84Å; W775-F791 HydrophobicContact CZ3-CE1 3.84Å; W775-F791 AromaticContact CZ3-CZ 3.94Å; W775-F791 HydrophobicContact CZ3-CZ 3.94Å; P776-F791 HydrophobicContact CG-CB 4.28Å; P776-F791 HydrophobicContact CG-CD1 4.23Å; P776-F791 HydrophobicContact CG-CG 4.1Å; T787-F791 PolarHBondContact O-N 3.29Å; T787-F791 VanDerWaalsContact O-N 3.1Å; W788-F791 WeakPolarHBondContact O-CB 3.46Å; W788-F791 PolarHBondContact O-N 3.04Å; R789-F791 VanDerWaalsContact C-N 3.26Å; R789-F791 PolarHBondContact O-N 3.09Å; F791-E793 PolarHBondContact O-N 2.94Å; F791-L794 WeakPolarHBondContact O-CB 3.24Å; F791-L794 PolarHBondContact O-N 3.45Å; F791-V795 HydrophobicContact CE1-CG2 4.16Å; F791-V795 HydrophobicContact CE2-CG2 4.45Å; F791-V795 HydrophobicContact CZ-CG2 4.08Å; F791-V795 WeakPolarHBondContact O-CG2 3.38Å; F791-V795 PolarHBondContact O-N 3.23Å; F791-V807 HydrophobicContact CE2-CG1 3.83Å; F791-V807 HydrophobicContact CE2-CG2 4.1Å; F791-V807 HydrophobicContact CZ-CG1 3.82Å; F791-V807 HydrophobicContact CZ-CG2 4.04Å; F791-M1073 HydrophobicContact CZ-CE 4.5Å; F791-M1087 HydrophobicContact CD1-CE 4.3Å; F791-M1087 HydrophobicContact CD1-SD 3.72Å; F791-M1087 HydrophobicContact CE1-SD 3.87Å
792	I	90.8	Very high	83.7	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-65.6	-39.7	177.3	-65.2	169.4	0	0	0	111.5	W788 R789 L794 V795 R796 P1076 D1083 Y1086 M1087	W788-I792 HydrophobicContact CE3-CD1 3.58Å; W788-I792 HydrophobicContact CZ3-CD1 3.68Å; W788-I792 WeakPolarHBondContact O-CG1 3.21Å; W788-I792 PolarHBondContact O-N 2.97Å; R789-I792 PolarHBondContact O-N 3.46Å; I792-L794 VanDerWaalsContact C-N 3.34Å; I792-V795 WeakPolarHBondContact O-CB 3.22Å; I792-V795 PolarHBondContact O-N 3.29Å; I792-R796 WeakPolarHBondContact O-CG 3.22Å; I792-R796 PolarHBondContact O-N 3.11Å; I792-P1076 HydrophobicContact CG2-CB 4.45Å; I792-D1083 HydrophobicContact CD1-CB 3.6Å; I792-D1083 VanDerWaalsContact CD1-O 3.23Å; I792-D1083 WeakPolarHBondContact CD1-O 3.5Å; I792-Y1086 HydrophobicContact CD1-CD1 4.47Å; I792-Y1086 HydrophobicContact CG1-CD1 4.32Å; I792-M1087 HydrophobicContact CD1-CG 3.79Å; I792-M1087 HydrophobicContact CD1-SD 4.45Å; I792-M1087 HydrophobicContact CG1-CG 4.2Å; I792-M1087 HydrophobicContact CG1-SD 4.21Å
793	E	90	Very high	85.4	Confident	18 Å²	18	49 Å²	49	8%	0.084	26%	0.255	C	S	.	.	H	α-helix	trans	-64.1	-39.3	174.8	-68.3	-77.1	128.2	0	0	111	R751 R789 F791 V795 R796 E797 R1080	R751-E793 IonicContact CZ-OE2 3.67Å; R751-E793 IonicContact NE-OE2 3.57Å; R751-E793 PolarHBondContact NE-OE2 2.82Å; R751-E793 IonicContact NH2-OE2 3.97Å; R751-E793 PolarHBondContact NH2-OE2 2.66Å; R789-E793 WeakPolarHBondContact O-CG 3.42Å; R789-E793 PolarHBondContact O-N 3.43Å; F791-E793 PolarHBondContact O-N 2.94Å; E793-V795 VanDerWaalsContact C-N 3.35Å; E793-V795 PolarHBondContact O-N 3.3Å; E793-R796 WeakPolarHBondContact O-CB 3.41Å; E793-R796 PolarHBondContact O-N 2.92Å; E793-R796 VanDerWaalsContact O-N 3.14Å; E793-R796 IonicContact OE1-CZ 2.7Å; E793-R796 IonicContact OE1-NH1 2.89Å; E793-R796 PolarHBondContact OE1-NH1 2.89Å; E793-E797 WeakPolarHBondContact O-CB 3.43Å; E793-E797 VanDerWaalsContact O-CG 3.27Å; E793-E797 WeakPolarHBondContact O-CG 3.45Å; E793-E797 PolarHBondContact O-N 3.42Å; E793-R1080 IonicContact OE1-CZ 3.81Å; E793-R1080 IonicContact OE1-NE 2.66Å; E793-R1080 PolarHBondContact OE1-NE 2.71Å; E793-R1080 IonicContact OE1-NH2 2.99Å; E793-R1080 PolarHBondContact OE1-NH2 3.45Å; E793-R1080 IonicContact OE2-CZ 3.68Å; E793-R1080 IonicContact OE2-NH2 3.72Å; E793-R1080 PolarHBondContact OE2-NH2 2.79Å
794	L	92.7	Very high	86.9	Confident	13 Å²	13	39.8 Å²	39.8	7%	0.068	21%	0.212	C	C	.	.	H	α-helix	trans	-57.3	-43.6	169.5	175.8	172.1	0	0	0	111.9	L677 V754 I758 V773 N790 F791 I792 E797 T798 L805	L677-L794 HydrophobicContact CD1-CD1 3.78Å; L677-L794 HydrophobicContact CD1-CG 4.38Å; V754-L794 HydrophobicContact CG1-CD1 4.02Å; V754-L794 HydrophobicContact CG1-CG 4.2Å; I758-L794 HydrophobicContact CD1-CG 4.19Å; V773-L794 HydrophobicContact CG1-CD2 4.27Å; V773-L794 HydrophobicContact CG2-CD1 4.04Å; N790-L794 WeakPolarHBondContact O-CB 3.26Å; N790-L794 PolarHBondContact O-N 3.07Å; F791-L794 WeakPolarHBondContact O-CB 3.24Å; F791-L794 PolarHBondContact O-N 3.45Å; I792-L794 VanDerWaalsContact C-N 3.34Å; L794-E797 PolarHBondContact O-N 2.91Å; L794-T798 WeakPolarHBondContact O-CB 3.39Å; L794-T798 PolarHBondContact O-N 3.08Å; L794-T798 PolarHBondContact O-OG1 3.34Å; L794-L805 HydrophobicContact CD2-CD1 3.96Å
795	V	92.9	Very high	88.4	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.8	-47.9	174.2	-178.9	0	0	0	0	110.4	F791 I792 E793 T798 T799 L805 M1073 P1076	F791-V795 HydrophobicContact CE1-CG2 4.16Å; F791-V795 HydrophobicContact CE2-CG2 4.45Å; F791-V795 HydrophobicContact CZ-CG2 4.08Å; F791-V795 WeakPolarHBondContact O-CG2 3.38Å; F791-V795 PolarHBondContact O-N 3.23Å; I792-V795 WeakPolarHBondContact O-CB 3.22Å; I792-V795 PolarHBondContact O-N 3.29Å; E793-V795 VanDerWaalsContact C-N 3.35Å; E793-V795 PolarHBondContact O-N 3.3Å; V795-T798 PolarHBondContact O-N 3.08Å; V795-T799 WeakPolarHBondContact O-CG2 3.29Å; V795-T799 PolarHBondContact O-N 2.9Å; V795-T799 PolarHBondContact O-OG1 2.67Å; V795-L805 HydrophobicContact CB-CD2 4.21Å; V795-L805 HydrophobicContact CG1-CD2 3.95Å; V795-L805 HydrophobicContact CG2-CD2 3.79Å; V795-M1073 HydrophobicContact CG1-SD 4.43Å; V795-P1076 HydrophobicContact CG1-CG 4.06Å
796	R	91	Very high	89.6	Confident	41 Å²	41	32.8 Å²	32.8	16%	0.155	18%	0.177	C	C	.	.	H	α-helix	trans	-58.7	-50.3	178.1	-72.9	176	168.9	129.7	8.6	111.7	I792 E793 T798 T799 A800 P1076 P1077 D1083	I792-R796 WeakPolarHBondContact O-CG 3.22Å; I792-R796 PolarHBondContact O-N 3.11Å; E793-R796 WeakPolarHBondContact O-CB 3.41Å; E793-R796 PolarHBondContact O-N 2.92Å; E793-R796 VanDerWaalsContact O-N 3.14Å; E793-R796 IonicContact OE1-CZ 2.7Å; E793-R796 IonicContact OE1-NH1 2.89Å; E793-R796 PolarHBondContact OE1-NH1 2.89Å; R796-T798 PolarHBondContact O-N 3.3Å; R796-T799 WeakPolarHBondContact CA-OG1 3.49Å; R796-T799 PolarHBondContact O-N 3.33Å; R796-T799 PolarHBondContact O-OG1 3.3Å; R796-A800 WeakPolarHBondContact O-CB 3.43Å; R796-A800 PolarHBondContact O-N 2.99Å; R796-P1076 HydrophobicContact CG-CB 4.49Å; R796-P1076 HydrophobicContact CG-CG 4.15Å; R796-P1077 PolarHBondContact NH2-O 3.28Å; R796-D1083 IonicContact CZ-OD1 3.83Å; R796-D1083 IonicContact CZ-OD2 2.92Å; R796-D1083 IonicContact NH1-OD1 2.64Å; R796-D1083 IonicContact NH1-OD2 2.69Å; R796-D1083 PolarHBondContact NH1-OD2 3.21Å; R796-D1083 IonicContact NH2-OD1 3.86Å; R796-D1083 PolarHBondContact NH2-OD1 3.17Å; R796-D1083 IonicContact NH2-OD2 2.67Å; R796-D1083 PolarHBondContact NH2-OD2 3.41Å
797	E	92.2	Very high	90.5	Very high	33 Å²	33	27.7 Å²	27.7	15%	0.154	15%	0.153	C	C	.	.	H	α-helix	trans	-61.1	-43.8	179.9	-71.2	173.6	158.2	0	0	111.8	S755 E793 L794 T799 A800 G801	S755-E797 WeakPolarHBondContact CA-OE2 3.37Å; S755-E797 WeakPolarHBondContact CB-OE1 3.27Å; S755-E797 WeakPolarHBondContact CB-OE2 3.42Å; S755-E797 PolarHBondContact OG-OE1 3.03Å; S755-E797 PolarHBondContact OG-OE2 3.12Å; E793-E797 WeakPolarHBondContact O-CB 3.43Å; E793-E797 VanDerWaalsContact O-CG 3.27Å; E793-E797 WeakPolarHBondContact O-CG 3.45Å; E793-E797 PolarHBondContact O-N 3.42Å; L794-E797 PolarHBondContact O-N 2.91Å; E797-T799 VanDerWaalsContact C-N 3.35Å; E797-T799 PolarHBondContact O-N 3.05Å; E797-A800 PolarHBondContact O-N 3.1Å; E797-G801 PolarHBondContact O-N 2.89Å
798	T	92.9	Very high	91.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.6	-44.1	175.7	-53.2	0	0	0	0	111.2	V771 L794 V795 R796 G801 H802 L803 L805	V771-T798 HydrophobicContact CB-CG2 3.97Å; V771-T798 HydrophobicContact CG2-CG2 3.75Å; L794-T798 WeakPolarHBondContact O-CB 3.39Å; L794-T798 PolarHBondContact O-N 3.08Å; L794-T798 PolarHBondContact O-OG1 3.34Å; V795-T798 PolarHBondContact O-N 3.08Å; R796-T798 PolarHBondContact O-N 3.3Å; T798-G801 PolarHBondContact O-N 2.69Å; T798-H802 PolarHBondContact O-N 3.49Å; T798-L803 HydrophobicContact CG2-CB 3.77Å; T798-L803 PolarHBondContact O-N 3.37Å; T798-L803 VanDerWaalsContact O-N 3.08Å; T798-L805 HydrophobicContact CG2-CB 3.99Å; T798-L805 HydrophobicContact CG2-CD1 4.14Å
799	T	88.9	Confident	91.5	Very high	39 Å²	39	26.3 Å²	26.3	24%	0.239	15%	0.145	C	C	.	.	H	α-helix	trans	-69.5	-35.4	177.3	56.4	0	0	0	0	113.5	V795 R796 E797 G801 H802	V795-T799 WeakPolarHBondContact O-CG2 3.29Å; V795-T799 PolarHBondContact O-N 2.9Å; V795-T799 PolarHBondContact O-OG1 2.67Å; R796-T799 WeakPolarHBondContact CA-OG1 3.49Å; R796-T799 PolarHBondContact O-N 3.33Å; R796-T799 PolarHBondContact O-OG1 3.3Å; E797-T799 VanDerWaalsContact C-N 3.35Å; E797-T799 PolarHBondContact O-N 3.05Å; T799-G801 VanDerWaalsContact C-N 3.33Å; T799-H802 PolarHBondContact O-N 3.03Å; T799-H802 VanDerWaalsContact O-N 3.12Å
800	A	89.8	Confident	91.7	Very high	76 Å²	76	23.4 Å²	23.4	63%	0.628	14%	0.139	S	C	*	.	H	α-helix	trans	-68.2	-33.8	175.4	0	0	0	0	0	111.9	R796 E797 H802	R796-A800 WeakPolarHBondContact O-CB 3.43Å; R796-A800 PolarHBondContact O-N 2.99Å; E797-A800 PolarHBondContact O-N 3.1Å; A800-H802 PolarHBondContact O-N 3.06Å
801	G	87.8	Confident	91.6	Very high	44 Å²	44	22.5 Å²	22.5	45%	0.454	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-2.3	170.4	0	0	0	0	0	114.8	E797 T798 T799 L803	E797-G801 PolarHBondContact O-N 2.89Å; T798-G801 PolarHBondContact O-N 2.69Å; T799-G801 VanDerWaalsContact C-N 3.33Å; G801-L803 PolarHBondContact O-N 3Å
802	H	88.7	Confident	91.4	Very high	92 Å²	92	24.7 Å²	24.7	43%	0.426	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	34.4	-171.9	-59.5	-70.9	0	0	0	114	T798 T799 A800 G1106 R1108	T798-H802 PolarHBondContact O-N 3.49Å; T799-H802 PolarHBondContact O-N 3.03Å; T799-H802 VanDerWaalsContact O-N 3.12Å; A800-H802 PolarHBondContact O-N 3.06Å; H802-G1106 PolarHBondContact ND1-O 2.81Å; H802-R1108 PolarHBondContact CD2-NH2 3.07Å; H802-R1108 PolarHBondContact NE2-NH2 3.16Å; H802-R1108 VanDerWaalsContact NE2-NH2 3.18Å
803	L	92.1	Very high	91.2	Very high	25 Å²	25	29.8 Å²	29.8	13%	0.131	18%	0.176	C	C	.	.			trans	-95.9	149.7	177.4	-57.6	170	0	0	0	110	I758 V771 T798 G801	I758-L803 HydrophobicContact CG2-CD1 3.57Å; V771-L803 HydrophobicContact CG2-CD1 4.14Å; T798-L803 HydrophobicContact CG2-CB 3.77Å; T798-L803 PolarHBondContact O-N 3.37Å; T798-L803 VanDerWaalsContact O-N 3.08Å; G801-L803 PolarHBondContact O-N 3Å
804	A	93.2	Very high	91.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	148.7	168.5	0	0	0	0	0	110.5	W670 N769 T770 V771 M837 R1104	W670-A804 HydrophobicContact CH2-CB 4.45Å; W670-A804 HydrophobicContact CZ2-CB 3.88Å; N769-A804 PolarHBondContact O-N 2.69Å; T770-A804 CarbonylContact C-O 3.57Å; T770-A804 VanDerWaalsContact CA-O 3.25Å; T770-A804 WeakPolarHBondContact CA-O 3.47Å; T770-A804 HydrophobicContact CG2-CB 4.09Å; V771-A804 PolarHBondContact N-O 3.09Å; A804-M837 HydrophobicContact CB-CE 4.11Å; A804-M837 HydrophobicContact CB-SD 3.92Å; A804-R1104 CarbonylContact C-O 3.52Å; A804-R1104 VanDerWaalsContact CA-O 3.3Å; A804-R1104 WeakPolarHBondContact CA-O 3.3Å
805	L	95.3	Very high	91.3	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	132.4	176.4	-177.5	69.2	0	0	0	110.5	V771 V773 L794 V795 T798 V807 M1073 R1104	V771-L805 HydrophobicContact CB-CD1 4.06Å; V771-L805 HydrophobicContact CG1-CD1 4.19Å; V773-L805 HydrophobicContact CG1-CD1 4.16Å; L794-L805 HydrophobicContact CD2-CD1 3.96Å; V795-L805 HydrophobicContact CB-CD2 4.21Å; V795-L805 HydrophobicContact CG1-CD2 3.95Å; V795-L805 HydrophobicContact CG2-CD2 3.79Å; T798-L805 HydrophobicContact CG2-CB 3.99Å; T798-L805 HydrophobicContact CG2-CD1 4.14Å; L805-V807 HydrophobicContact CD1-CG2 4.21Å; L805-V807 HydrophobicContact CD2-CG2 3.75Å; L805-V807 HydrophobicContact CG-CG2 3.78Å; L805-M1073 HydrophobicContact CD2-SD 4.36Å; L805-R1104 HydrophobicContact CB-CB 4.26Å; L805-R1104 PolarHBondContact N-O 2.97Å; L805-R1104 PolarHBondContact O-N 3.3Å
806	L	95.8	Very high	91	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	116.7	171.4	-58.2	179.1	0	0	0	108.7	L674 L698 T770 V771 L772 V773 L841 L1102 V1103	L674-L806 HydrophobicContact CD2-CD1 4.17Å; L698-L806 HydrophobicContact CD2-CD1 4.2Å; T770-L806 HydrophobicContact CG2-CD1 3.66Å; T770-L806 HydrophobicContact CG2-CG 3.7Å; V771-L806 PolarHBondContact O-N 3.45Å; L772-L806 WeakPolarHBondContact CA-O 3.4Å; L772-L806 HydrophobicContact CD1-CB 3.71Å; V773-L806 PolarHBondContact N-O 2.7Å; L806-L841 HydrophobicContact CD1-CD2 4.3Å; L806-L841 HydrophobicContact CD2-CD1 3.57Å; L806-L1102 WeakPolarHBondContact CA-O 3.35Å; L806-V1103 HydrophobicContact CD2-CB 4.35Å; L806-V1103 HydrophobicContact CD2-CG1 4.11Å; L806-V1103 HydrophobicContact CD2-CG2 3.93Å
807	V	95.3	Very high	90.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	126.2	176.6	-170.9	0	0	0	0	109.7	V773 W775 F791 L805 M1073 M1101 L1102	V773-V807 HydrophobicContact CG1-CB 4.38Å; V773-V807 HydrophobicContact CG1-CG1 4.25Å; V773-V807 HydrophobicContact CG1-CG2 3.86Å; V773-V807 WeakPolarHBondContact O-CA 3.17Å; W775-V807 HydrophobicContact CE3-CG1 3.94Å; F791-V807 HydrophobicContact CE2-CG1 3.83Å; F791-V807 HydrophobicContact CE2-CG2 4.1Å; F791-V807 HydrophobicContact CZ-CG1 3.82Å; F791-V807 HydrophobicContact CZ-CG2 4.04Å; L805-V807 HydrophobicContact CD1-CG2 4.21Å; L805-V807 HydrophobicContact CD2-CG2 3.75Å; L805-V807 HydrophobicContact CG-CG2 3.78Å; V807-M1073 HydrophobicContact CB-CE 4.19Å; V807-M1073 HydrophobicContact CG2-CE 3.82Å; V807-M1101 WeakPolarHBondContact O-CA 3.3Å; V807-L1102 HydrophobicContact CB-CB 4.18Å; V807-L1102 PolarHBondContact N-O 3.04Å; V807-L1102 PolarHBondContact O-N 3.34Å
808	T	93.9	Very high	90.5	Very high	0 Å²	0	33 Å²	33	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	113.5	-176.3	49.2	0	0	0	0	110.8	L691 L694 L772 V773 W775 V811 F814 M1101	L691-T808 HydrophobicContact CD1-CG2 4.47Å; L691-T808 VanDerWaalsContact CD1-OG1 3.31Å; L691-T808 WeakPolarHBondContact CD1-OG1 3.29Å; L694-T808 HydrophobicContact CD2-CG2 3.57Å; L772-T808 HydrophobicContact CD1-CG2 3.88Å; V773-T808 PolarHBondContact O-N 3.08Å; V773-T808 PolarHBondContact O-OG1 3.29Å; V773-T808 VanDerWaalsContact O-OG1 3.07Å; W775-T808 WeakPolarHBondContact CB-O 3.49Å; W775-T808 PolarHBondContact N-O 3.33Å; T808-V811 WeakPolarHBondContact O-CG2 3.28Å; T808-V811 WeakPolarHBondContact OG1-CG2 3.45Å; T808-F814 HydrophobicContact CG2-CZ 4.48Å; T808-M1101 HydrophobicContact CG2-CG 4.26Å
809	K	92.1	Very high	90.2	Very high	9 Å²	9	38.2 Å²	38.2	4%	0.039	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	146.2	174.2	-160.6	179.1	-176.7	-175	0	109.4	W775 V811 E1091 T1094 V1100	W775-K809 HydrophobicContact CB-CB 4.27Å; W775-K809 HydrophobicContact CB-CG 4.17Å; W775-K809 HydrophobicContact CD2-CG 4.45Å; W775-K809 HydrophobicContact CG-CB 4.47Å; W775-K809 HydrophobicContact CG-CG 3.95Å; K809-V811 PolarHBondContact O-N 3.08Å; K809-E1091 WeakPolarHBondContact CE-OE1 3.49Å; K809-E1091 IonicContact NZ-OE1 3.51Å; K809-E1091 PolarHBondContact NZ-OE1 3.15Å; K809-T1094 WeakPolarHBondContact CD-OG1 3.44Å; K809-T1094 PolarHBondContact NZ-O 2.98Å; K809-T1094 PolarHBondContact NZ-OG1 3.24Å; K809-V1100 HydrophobicContact CB-CB 4.14Å; K809-V1100 PolarHBondContact N-O 3.46Å
810	N	89.9	Confident	90.1	Very high	63 Å²	63	44.6 Å²	44.6	34%	0.337	25%	0.251	S	S	.	.	S	Bend	trans	54.8	46.5	180	-57.3	-22.1	0	0	0	113.7	S812 M813 L1097 D1098	N810-S812 PolarHBondContact O-N 3.12Å; N810-M813 HydrophobicContact CB-CB 4.45Å; N810-M813 HydrophobicContact CB-CG 4.16Å; N810-M813 WeakPolarHBondContact O-CB 3.46Å; N810-M813 PolarHBondContact O-N 2.89Å; N810-L1097 PolarHBondContact ND2-O 3.46Å; N810-D1098 WeakPolarHBondContact CB-O 3.21Å; N810-D1098 PolarHBondContact ND2-O 2.96Å
811	V	87.3	Confident	90.1	Very high	8 Å²	8	42.8 Å²	42.8	5%	0.048	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-50	-33.4	-179.1	-171.1	0	0	0	0	112.8	H688 Q690 L691 T808 K809 M813 F814	H688-V811 HydrophobicContact CB-CG1 4.16Å; Q690-V811 HydrophobicContact CB-CG1 4.08Å; Q690-V811 PolarHBondContact OE1-O 2.72Å; L691-V811 HydrophobicContact CB-CG1 4.26Å; T808-V811 WeakPolarHBondContact O-CG2 3.28Å; T808-V811 WeakPolarHBondContact OG1-CG2 3.45Å; K809-V811 PolarHBondContact O-N 3.08Å; V811-M813 PolarHBondContact O-N 3.35Å; V811-F814 WeakPolarHBondContact O-CB 3.39Å; V811-F814 PolarHBondContact O-N 2.96Å; V811-F814 VanDerWaalsContact O-N 3.11Å
812	S	86.2	Confident	89.9	Confident	55 Å²	55	44.8 Å²	44.8	39%	0.385	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-61.2	-19.4	175	39.8	0	0	0	0	115.8	Q690 R777 N810	Q690-S812 PolarHBondContact NE2-O 3.18Å; R777-S812 VanDerWaalsContact NH2-CB 3.33Å; R777-S812 PolarHBondContact NH2-OG 3.49Å; N810-S812 PolarHBondContact O-N 3.12Å
813	M	88.4	Confident	89.8	Confident	108 Å²	108	47.2 Å²	47.2	53%	0.532	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-93.3	-4.8	177.3	-60.5	-59.4	-148.5	0	0	113	N810 V811 R1099	N810-M813 HydrophobicContact CB-CB 4.45Å; N810-M813 HydrophobicContact CB-CG 4.16Å; N810-M813 WeakPolarHBondContact O-CB 3.46Å; N810-M813 PolarHBondContact O-N 2.89Å; V811-M813 PolarHBondContact O-N 3.35Å; M813-R1099 HydrophobicContact CB-CG 3.99Å; M813-R1099 WeakPolarHBondContact O-CD 3.43Å; M813-R1099 PolarHBondContact O-NH1 3.37Å
814	F	91.6	Very high	89.6	Confident	5 Å²	5	47.2 Å²	47.2	2%	0.022	25%	0.254	C	S	.	.	S	Bend	trans	-73.5	140.9	179.7	-85.4	-104.1	0	0	0	111.5	Q690 L694 T808 V811 L1068 R1099	Q690-F814 HydrophobicContact CB-CB 4.34Å; Q690-F814 PolarHBondContact NE2-O 3.2Å; L694-F814 HydrophobicContact CD1-CD1 3.95Å; L694-F814 HydrophobicContact CD1-CE1 3.95Å; L694-F814 HydrophobicContact CD2-CD1 3.99Å; L694-F814 HydrophobicContact CD2-CE1 3.76Å; L694-F814 HydrophobicContact CD2-CZ 4.4Å; L694-F814 HydrophobicContact CG-CD1 4.37Å; L694-F814 HydrophobicContact CG-CE1 4.43Å; T808-F814 HydrophobicContact CG2-CZ 4.48Å; V811-F814 WeakPolarHBondContact O-CB 3.39Å; V811-F814 PolarHBondContact O-N 2.96Å; V811-F814 VanDerWaalsContact O-N 3.11Å; F814-L1068 HydrophobicContact CE1-CD1 3.85Å; F814-L1068 HydrophobicContact CZ-CD1 3.73Å; F814-R1099 HydrophobicContact CD2-CG 4.05Å; F814-R1099 HydrophobicContact CE2-CB 4.14Å; F814-R1099 HydrophobicContact CE2-CG 3.99Å; F814-R1099 HydrophobicContact CZ-CB 4.27Å; F814-R1099 HydrophobicContact CZ-CG 4.46Å
815	P	91.7	Very high	89.6	Confident	3 Å²	3	48 Å²	48	2%	0.019	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-68.7	139	-174.7	29.7	-37	0	0	0	111.6	Q697 E819 F821 V850 W851	Q697-P815 PolarHBondContact NE2-O 2.76Å; P815-E819 WeakPolarHBondContact CA-OE2 3.13Å; P815-E819 HydrophobicContact CB-CB 4.21Å; P815-F821 HydrophobicContact CB-CE2 4.27Å; P815-F821 HydrophobicContact CB-CZ 4.01Å; P815-F821 HydrophobicContact CG-CE2 3.82Å; P815-F821 HydrophobicContact CG-CZ 3.9Å; P815-V850 HydrophobicContact CB-CG1 3.97Å; P815-V850 HydrophobicContact CG-CG1 3.64Å; P815-W851 HydrophobicContact CG-CH2 4.39Å; P815-W851 HydrophobicContact CG-CZ2 3.7Å
816	G	88.1	Confident	89.6	Confident	15 Å²	15	48 Å²	48	16%	0.155	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-67.4	162.4	168.5	0	0	0	0	0	111.8	E819	G816-E819 PolarHBondContact N-OE2 3.07Å; G816-E819 PolarHBondContact O-N 2.94Å; G816-E819 VanDerWaalsContact O-N 3.15Å
817	N	86.7	Confident	89.6	Confident	39 Å²	39	48 Å²	48	21%	0.209	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-28.2	176.5	-85.8	-51.9	0	0	0	117.5	S696 E736	S696-N817 PolarHBondContact OG-ND2 2.64Å; E736-N817 PolarHBondContact O-ND2 2.85Å; E736-N817 PolarHBondContact OE2-ND2 2.92Å
818	P	84.5	Confident	89.6	Confident	109 Å²	109	48 Å²	48	71%	0.708	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-23.8	174.1	30.4	-33.7	0	0	0	113.5
819	E	86.9	Confident	89.6	Confident	111 Å²	111	48 Å²	48	52%	0.519	26%	0.259	S	S	.	.			trans	-73.1	144.4	-176.2	-62.6	174.7	169	0	0	110.8	P815 G816 V850	P815-E819 WeakPolarHBondContact CA-OE2 3.13Å; P815-E819 HydrophobicContact CB-CB 4.21Å; G816-E819 PolarHBondContact N-OE2 3.07Å; G816-E819 PolarHBondContact O-N 2.94Å; G816-E819 VanDerWaalsContact O-N 3.15Å; E819-V850 WeakPolarHBondContact O-CG2 3.47Å
820	R	87.5	Confident	89.5	Confident	172 Å²	172	48 Å²	48	65%	0.649	26%	0.259	S	S	*	.			trans	-141.8	132.4	-179	-58.6	-177.1	-166.8	163.7	7.1	110.2	S822	R820-S822 PolarHBondContact O-N 2.84Å
821	F	88.8	Confident	89.3	Confident	38 Å²	38	45 Å²	45	17%	0.167	24%	0.243	C	C	.	.			trans	-73.4	128	172.4	-60.6	-59.2	0	0	0	110.2	P815 V850 W851 K1067	P815-F821 HydrophobicContact CB-CE2 4.27Å; P815-F821 HydrophobicContact CB-CZ 4.01Å; P815-F821 HydrophobicContact CG-CE2 3.82Å; P815-F821 HydrophobicContact CG-CZ 3.9Å; F821-V850 HydrophobicContact CD2-CG1 4.19Å; F821-V850 HydrophobicContact CE2-CG1 4.14Å; F821-V850 PolarHBondContact N-O 2.87Å; F821-W851 HydrophobicContact CD2-CD2 4.31Å; F821-W851 AromaticContact CD2-CE3 3.93Å; F821-W851 HydrophobicContact CD2-CE3 3.93Å; F821-W851 HydrophobicContact CD2-CZ3 4.07Å; F821-W851 HydrophobicContact CE2-CD2 4.16Å; F821-W851 AromaticContact CE2-CE3 3.81Å; F821-W851 HydrophobicContact CE2-CE3 3.81Å; F821-W851 AromaticContact CE2-CH2 3.65Å; F821-W851 HydrophobicContact CE2-CH2 3.65Å; F821-W851 AromaticContact CE2-CZ2 4Å; F821-W851 HydrophobicContact CE2-CZ2 4Å; F821-W851 AromaticContact CE2-CZ3 3.54Å; F821-W851 HydrophobicContact CE2-CZ3 3.54Å; F821-W851 HydrophobicContact CZ-CH2 4.36Å; F821-W851 HydrophobicContact CZ-CZ3 4.48Å; F821-K1067 HydrophobicContact CD1-CD 4.41Å; F821-K1067 HydrophobicContact CD1-CG 4.44Å; F821-K1067 HydrophobicContact CE1-CD 4.38Å; F821-K1067 HydrophobicContact CE2-CB 4.47Å
822	S	83.1	Confident	88.8	Confident	86 Å²	86	45 Å²	45	60%	0.601	24%	0.242	S	C	*	.	S	Bend	trans	-67.1	-41	169.7	44.6	0	0	0	0	110.9	R820 K853	R820-S822 PolarHBondContact O-N 2.84Å; S822-K853 WeakPolarHBondContact O-CD 3.2Å
823	E	87	Confident	88.4	Confident	144 Å²	144	44 Å²	44	67%	0.673	23%	0.232	S	C	*	.	S	Bend	trans	-159.2	167.5	-178.7	66.1	-166.1	157	0	0	110.9
824	G	88.9	Confident	88	Confident	25 Å²	25	40.2 Å²	40.2	26%	0.258	21%	0.214	S	C	.	.			trans	147.2	177	177.5	0	0	0	0	0	112.8	C854 K855	G824-C854 CarbonylContact O-C 3.59Å; G824-C854 VanDerWaalsContact O-CA 3.25Å; G824-C854 WeakPolarHBondContact O-CA 3.44Å; G824-K855 PolarHBondContact O-N 3.43Å
825	S	93.2	Very high	87.4	Confident	15 Å²	15	40 Å²	40	11%	0.105	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	151.8	172.1	67.3	0	0	0	0	112.6	D827 K855 K1067	S825-D827 WeakPolarHBondContact CB-OD1 3.42Å; S825-D827 PolarHBondContact OG-OD1 3.18Å; S825-K855 CarbonylContact C-O 3.49Å; S825-K855 VanDerWaalsContact CA-O 3.27Å; S825-K855 WeakPolarHBondContact CA-O 3.37Å; S825-K1067 PolarHBondContact O-N 3.21Å
826	I	95.6	Very high	87	Confident	2 Å²	2	40.4 Å²	40.4	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	118.3	158.5	-59.2	168	0	0	0	105.6	P842 W851 C854 K855 M856 R857 L1068 L1070	I826-P842 HydrophobicContact CG2-CB 3.94Å; I826-P842 HydrophobicContact CG2-CG 4.24Å; I826-W851 HydrophobicContact CD1-CB 4.37Å; I826-W851 HydrophobicContact CD1-CE3 3.96Å; I826-W851 HydrophobicContact CG1-CE3 4.03Å; I826-W851 HydrophobicContact CG1-CZ3 4.37Å; I826-C854 HydrophobicContact CD1-CB 4.07Å; I826-C854 HydrophobicContact CG1-CB 3.91Å; I826-K855 PolarHBondContact N-O 3.26Å; I826-M856 WeakPolarHBondContact O-CA 3.49Å; I826-R857 PolarHBondContact O-N 2.94Å; I826-L1068 WeakPolarHBondContact CA-O 3.38Å; I826-L1068 HydrophobicContact CG1-CB 4.46Å; I826-L1068 HydrophobicContact CG2-CB 4.33Å; I826-L1068 HydrophobicContact CG2-CD2 4.33Å; I826-L1070 HydrophobicContact CG2-CD1 3.49Å; I826-L1070 VanDerWaalsContact CG2-CD1 3.49Å
827	D	95.8	Very high	87	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	131.1	-175.1	-74.5	14.1	0	0	0	109.5	S825 R857 F859 S1063 A1066 L1068 V1069 L1070	S825-D827 WeakPolarHBondContact CB-OD1 3.42Å; S825-D827 PolarHBondContact OG-OD1 3.18Å; D827-R857 IonicContact OD1-CZ 3.46Å; D827-R857 IonicContact OD1-NE 2.85Å; D827-R857 PolarHBondContact OD1-NE 3.09Å; D827-R857 IonicContact OD1-NH2 3.23Å; D827-R857 PolarHBondContact OD1-NH2 3.48Å; D827-R857 IonicContact OD2-CZ 3.52Å; D827-R857 IonicContact OD2-NE 3.62Å; D827-R857 IonicContact OD2-NH2 2.67Å; D827-R857 PolarHBondContact OD2-NH2 2.89Å; D827-F859 HydrophobicContact CB-CD2 4.46Å; D827-F859 HydrophobicContact CB-CE2 3.92Å; D827-S1063 WeakPolarHBondContact OD2-CA 3.46Å; D827-S1063 VanDerWaalsContact OD2-CB 3.22Å; D827-S1063 WeakPolarHBondContact OD2-CB 3.39Å; D827-S1063 PolarHBondContact OD2-OG 3.14Å; D827-A1066 HydrophobicContact CB-CB 4.1Å; D827-A1066 WeakPolarHBondContact OD2-CB 3.46Å; D827-L1068 PolarHBondContact N-O 3.3Å; D827-V1069 WeakPolarHBondContact O-CA 3.47Å; D827-L1070 PolarHBondContact O-N 2.92Å
828	V	95.2	Very high	87.1	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	109.8	-175.4	-173	0	0	0	0	108.8	L838 P842 M856 R857 I858 F859	V828-L838 HydrophobicContact CG1-CB 3.86Å; V828-L838 HydrophobicContact CG1-CD2 4.31Å; V828-L838 WeakPolarHBondContact CG1-O 3.45Å; V828-P842 HydrophobicContact CG2-CB 4.3Å; V828-P842 HydrophobicContact CG2-CG 3.53Å; V828-M856 HydrophobicContact CG2-CE 4.29Å; V828-R857 PolarHBondContact N-O 3.47Å; V828-I858 HydrophobicContact CB-CG1 4.47Å; V828-I858 WeakPolarHBondContact O-CA 3.47Å; V828-F859 PolarHBondContact O-N 2.82Å
829	W	93.7	Very high	87.3	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	105.5	174.4	-74.6	85.3	0	0	0	109.7	F859 V861 V891 V1058 I1059 K1062 S1063 L1070 L1071	W829-F859 HydrophobicContact CD2-CB 3.7Å; W829-F859 HydrophobicContact CD2-CD2 4.22Å; W829-F859 HydrophobicContact CD2-CG 4.18Å; W829-F859 AromaticContact CE2-CD2 3.69Å; W829-F859 AromaticContact CE2-CG 3.82Å; W829-F859 HydrophobicContact CE3-CB 3.69Å; W829-F859 HydrophobicContact CE3-CG 4.48Å; W829-F859 HydrophobicContact CG-CB 4.32Å; W829-F859 HydrophobicContact CG-CD2 4.47Å; W829-F859 HydrophobicContact CH2-CB 4.04Å; W829-F859 HydrophobicContact CH2-CD1 4.38Å; W829-F859 HydrophobicContact CH2-CG 4.15Å; W829-F859 HydrophobicContact CZ2-CB 4.04Å; W829-F859 HydrophobicContact CZ2-CD1 4.21Å; W829-F859 AromaticContact CZ2-CD2 3.99Å; W829-F859 HydrophobicContact CZ2-CD2 3.99Å; W829-F859 AromaticContact CZ2-CG 3.81Å; W829-F859 HydrophobicContact CZ2-CG 3.81Å; W829-F859 HydrophobicContact CZ3-CB 3.87Å; W829-F859 HydrophobicContact CZ3-CG 4.48Å; W829-F859 AromaticContact NE1-CD2 3.64Å; W829-V861 HydrophobicContact CE3-CG2 4.44Å; W829-V891 HydrophobicContact CH2-CG2 4.24Å; W829-V891 HydrophobicContact CZ3-CG2 4.15Å; W829-V1058 HydrophobicContact CH2-CG1 3.85Å; W829-V1058 HydrophobicContact CZ3-CG1 4.17Å; W829-I1059 HydrophobicContact CD2-CG1 3.79Å; W829-I1059 HydrophobicContact CE3-CG1 4Å; W829-I1059 HydrophobicContact CG-CG1 4.29Å; W829-I1059 HydrophobicContact CH2-CG1 4.29Å; W829-I1059 HydrophobicContact CZ2-CB 4.34Å; W829-I1059 HydrophobicContact CZ2-CG1 4.09Å; W829-I1059 HydrophobicContact CZ3-CG1 4.24Å; W829-K1062 HydrophobicContact CH2-CD 4.26Å; W829-K1062 HydrophobicContact CZ2-CB 4.14Å; W829-K1062 HydrophobicContact CZ2-CD 4.39Å; W829-S1063 PolarHBondContact NE1-OG 2.91Å; W829-L1070 PolarHBondContact N-O 3.46Å; W829-L1071 HydrophobicContact CB-CB 3.94Å
830	W	90.5	Very high	87.5	Confident	11 Å²	11	27.7 Å²	27.7	4%	0.042	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	104.2	175	177.9	19.8	0	0	0	110.4	V832 H833 L838 F859 T860 V861 L875 I930 T934	W830-V832 PolarHBondContact NE1-O 3.37Å; W830-H833 PolarHBondContact NE1-O 3.47Å; W830-L838 HydrophobicContact CB-CD1 4.12Å; W830-L838 HydrophobicContact CG-CD1 4.26Å; W830-F859 PolarHBondContact N-O 3.4Å; W830-T860 HydrophobicContact CB-CG2 4.36Å; W830-T860 HydrophobicContact CD2-CG2 4.43Å; W830-T860 HydrophobicContact CE3-CG2 3.68Å; W830-T860 HydrophobicContact CZ3-CG2 4.45Å; W830-V861 PolarHBondContact O-N 2.98Å; W830-L875 HydrophobicContact CE3-CD1 4.3Å; W830-L875 HydrophobicContact CZ3-CD1 3.62Å; W830-I930 HydrophobicContact CH2-CG1 4.16Å; W830-I930 HydrophobicContact CH2-CG2 4Å; W830-I930 HydrophobicContact CZ3-CD1 4.02Å; W830-I930 HydrophobicContact CZ3-CG1 4.13Å; W830-I930 HydrophobicContact CZ3-CG2 4.39Å; W830-T934 HydrophobicContact CH2-CG2 3.29Å; W830-T934 WeakPolarHBondContact CH2-OG1 3.37Å; W830-T934 HydrophobicContact CZ2-CG2 4.18Å; W830-T934 WeakPolarHBondContact CZ2-OG1 3.41Å; W830-T934 HydrophobicContact CZ3-CG2 3.64Å
831	I	85.6	Confident	87.7	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.113	C	C	.	.			trans	-106.1	88.7	-179.7	-45.5	169.4	0	0	0	108.7	H833 V861 Y901 L1055 N1072	I831-H833 PolarHBondContact O-N 2.84Å; I831-V861 HydrophobicContact CG1-CG2 4.03Å; I831-V861 HydrophobicContact CG2-CB 4.5Å; I831-V861 HydrophobicContact CG2-CG2 4.45Å; I831-Y901 HydrophobicContact CB-CD1 4.44Å; I831-Y901 HydrophobicContact CB-CE1 4.5Å; I831-Y901 HydrophobicContact CD1-CE2 4.15Å; I831-Y901 HydrophobicContact CG2-CD1 4.18Å; I831-Y901 HydrophobicContact CG2-CD2 3.76Å; I831-Y901 HydrophobicContact CG2-CE2 4.15Å; I831-Y901 HydrophobicContact CG2-CG 3.77Å; I831-L1055 HydrophobicContact CD1-CD1 4.41Å; I831-L1055 HydrophobicContact CD1-CD2 4.01Å; I831-N1072 WeakPolarHBondContact CA-OD1 3.44Å; I831-N1072 VanDerWaalsContact CB-OD1 3.26Å; I831-N1072 WeakPolarHBondContact CB-OD1 3.44Å; I831-N1072 PolarHBondContact N-OD1 2.76Å; I831-N1072 PolarHBondContact O-ND2 2.7Å
832	V	75.3	Confident	87.9	Confident	6 Å²	6	17.9 Å²	17.9	4%	0.036	11%	0.106	C	C	.	.	S	Bend	trans	68.5	-48.9	175.9	-168.3	0	0	0	0	115.6	W830 K905 Q931	W830-V832 PolarHBondContact NE1-O 3.37Å; V832-K905 HydrophobicContact CG1-CB 4.49Å; V832-K905 HydrophobicContact CG1-CD 3.69Å; V832-K905 HydrophobicContact CG1-CG 3.9Å; V832-Q931 PolarHBondContact O-NE2 3.07Å
833	H	77.8	Confident	88.2	Confident	35 Å²	35	15.6 Å²	15.6	16%	0.162	9%	0.085	C	C	.	.	S	Bend	trans	-115.1	167.9	-167.4	-60.4	-54.5	0	0	0	114	W830 I831 G835 Y901	W830-H833 PolarHBondContact NE1-O 3.47Å; I831-H833 PolarHBondContact O-N 2.84Å; H833-G835 PolarHBondContact O-N 3.44Å; H833-G835 VanDerWaalsContact O-N 3.09Å; H833-Y901 PolarHBondContact NE2-O 3.47Å
834	D	79.8	Confident	88.4	Confident	29 Å²	29	10.1 Å²	10.1	16%	0.155	6%	0.06	C	C	.	.			trans	58.7	18.8	170.8	-59.8	-27.9	0	0	0	117	G836 M837 L838 G1105	D834-G836 VanDerWaalsContact C-N 3.28Å; D834-G836 PolarHBondContact O-N 3.16Å; D834-G836 VanDerWaalsContact O-N 3.1Å; D834-M837 PolarHBondContact O-N 3.13Å; D834-L838 PolarHBondContact O-N 3.44Å; D834-L838 VanDerWaalsContact O-N 3.08Å; D834-G1105 VanDerWaalsContact CG-N 3.35Å; D834-G1105 PolarHBondContact OD2-N 3.18Å
835	G	79.2	Confident	88.6	Confident	1 Å²	1	9.1 Å²	9.1	1%	0.01	5%	0.049	C	C	.	.	H	α-helix	trans	-54	-37.4	-172.1	0	0	0	0	0	115	H833 M839	H833-G835 PolarHBondContact O-N 3.44Å; H833-G835 VanDerWaalsContact O-N 3.09Å; G835-M839 WeakPolarHBondContact O-CG 3.4Å; G835-M839 PolarHBondContact O-N 3.13Å
836	G	83.4	Confident	88.5	Confident	10 Å²	10	11.8 Å²	11.8	10%	0.103	6%	0.057	C	C	.	.	H	α-helix	trans	-62	-45.8	177.6	0	0	0	0	0	113.5	D834 M839 L840 I1111 Y1114	D834-G836 VanDerWaalsContact C-N 3.28Å; D834-G836 PolarHBondContact O-N 3.16Å; D834-G836 VanDerWaalsContact O-N 3.1Å; G836-M839 PolarHBondContact O-N 2.87Å; G836-L840 WeakPolarHBondContact O-CB 3.39Å; G836-L840 PolarHBondContact O-N 3.16Å; G836-L840 VanDerWaalsContact O-N 3.11Å; G836-I1111 VanDerWaalsContact C-CD1 3.48Å; G836-I1111 WeakPolarHBondContact O-CD1 3.41Å; G836-Y1114 WeakPolarHBondContact CA-OH 3.44Å
837	M	87.9	Confident	88.2	Confident	5 Å²	5	17.3 Å²	17.3	3%	0.025	8%	0.082	C	C	.	.	H	α-helix	trans	-72.6	-39.4	179.6	176.5	166.9	47.5	0	0	111.5	W670 A804 D834 M839 L840 L841 V1103 R1104 G1105	W670-M837 HydrophobicContact CH2-CG 4.12Å; W670-M837 HydrophobicContact CH2-SD 3.43Å; W670-M837 WeakPolarHBondContact CH2-SD 3.47Å; W670-M837 HydrophobicContact CZ2-SD 4.04Å; W670-M837 HydrophobicContact CZ3-CG 4.01Å; W670-M837 HydrophobicContact CZ3-SD 3.92Å; A804-M837 HydrophobicContact CB-CE 4.11Å; A804-M837 HydrophobicContact CB-SD 3.92Å; D834-M837 PolarHBondContact O-N 3.13Å; M837-M839 PolarHBondContact O-N 3.39Å; M837-L840 PolarHBondContact O-N 3.42Å; M837-L840 VanDerWaalsContact O-N 3.12Å; M837-L841 HydrophobicContact CG-CD1 3.69Å; M837-L841 HydrophobicContact CG-CG 4.05Å; M837-L841 WeakPolarHBondContact O-CG 3.49Å; M837-L841 PolarHBondContact O-N 2.93Å; M837-L841 HydrophobicContact SD-CD1 4.34Å; M837-V1103 HydrophobicContact CE-CG1 3.63Å; M837-V1103 HydrophobicContact CG-CG1 4.04Å; M837-V1103 HydrophobicContact SD-CG1 4.07Å; M837-R1104 WeakPolarHBondContact CE-O 3.4Å; M837-G1105 VanDerWaalsContact CE-CA 3.48Å
838	L	89.6	Confident	87.9	Confident	1 Å²	1	18.9 Å²	18.9	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-57.6	-30.9	175.4	-80.9	167.9	0	0	0	113.2	V828 W830 D834 P842 L1070 N1072 V1103	V828-L838 HydrophobicContact CG1-CB 3.86Å; V828-L838 HydrophobicContact CG1-CD2 4.31Å; V828-L838 WeakPolarHBondContact CG1-O 3.45Å; W830-L838 HydrophobicContact CB-CD1 4.12Å; W830-L838 HydrophobicContact CG-CD1 4.26Å; D834-L838 PolarHBondContact O-N 3.44Å; D834-L838 VanDerWaalsContact O-N 3.08Å; L838-P842 WeakPolarHBondContact O-CD 3.19Å; L838-P842 VanDerWaalsContact O-CG 3.24Å; L838-P842 WeakPolarHBondContact O-CG 3.45Å; L838-L1070 HydrophobicContact CD2-CB 4.22Å; L838-N1072 HydrophobicContact CD1-CB 4.21Å; L838-V1103 HydrophobicContact CD2-CB 4.01Å; L838-V1103 HydrophobicContact CD2-CG1 4.33Å; L838-V1103 HydrophobicContact CD2-CG2 4.15Å
839	M	88.6	Confident	87.7	Confident	2 Å²	2	25.6 Å²	25.6	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-84.9	-35.1	172.4	-66.5	-175.3	-51	0	0	113.8	G835 G836 M837 P842 F843 M856 I858 F878 L879 I930 Y1114	G835-M839 WeakPolarHBondContact O-CG 3.4Å; G835-M839 PolarHBondContact O-N 3.13Å; G836-M839 PolarHBondContact O-N 2.87Å; M837-M839 PolarHBondContact O-N 3.39Å; M839-P842 WeakPolarHBondContact O-CD 3.46Å; M839-F843 VanDerWaalsContact O-CB 3.3Å; M839-F843 WeakPolarHBondContact O-CB 3.27Å; M839-F843 PolarHBondContact O-N 3.4Å; M839-M856 HydrophobicContact CB-CE 4.23Å; M839-M856 HydrophobicContact CG-CE 4.37Å; M839-I858 HydrophobicContact CG-CD1 4.15Å; M839-I858 HydrophobicContact SD-CD1 4.26Å; M839-F878 HydrophobicContact CE-CE1 3.96Å; M839-L879 HydrophobicContact SD-CD2 3.88Å; M839-I930 HydrophobicContact CE-CB 3.88Å; M839-I930 HydrophobicContact CE-CD1 3.49Å; M839-I930 VanDerWaalsContact CE-CD1 3.49Å; M839-I930 HydrophobicContact CE-CG1 4.28Å; M839-I930 HydrophobicContact CE-CG2 3.63Å; M839-I930 HydrophobicContact SD-CD1 3.39Å; M839-I930 WeakPolarHBondContact SD-CD1 3.01Å; M839-Y1114 HydrophobicContact CB-CE1 4.19Å; M839-Y1114 HydrophobicContact CE-CE1 3.93Å; M839-Y1114 VanDerWaalsContact CE-OH 3.27Å; M839-Y1114 WeakPolarHBondContact CE-OH 3.39Å
840	L	90.1	Very high	87.7	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-67	-39.5	-177.8	-177.2	65.4	0	0	0	111.9	W670 G836 M837 F843 L844 I1111 Y1114	W670-L840 HydrophobicContact CE3-CD2 3.82Å; W670-L840 HydrophobicContact CZ3-CD2 4.01Å; G836-L840 WeakPolarHBondContact O-CB 3.39Å; G836-L840 PolarHBondContact O-N 3.16Å; G836-L840 VanDerWaalsContact O-N 3.11Å; M837-L840 PolarHBondContact O-N 3.42Å; M837-L840 VanDerWaalsContact O-N 3.12Å; L840-F843 HydrophobicContact CD1-CD1 4.49Å; L840-F843 PolarHBondContact O-N 3.47Å; L840-L844 HydrophobicContact CD1-CD1 4.23Å; L840-L844 HydrophobicContact CD1-CG 4.11Å; L840-L844 HydrophobicContact CD2-CD1 4.44Å; L840-L844 HydrophobicContact CG-CD1 3.92Å; L840-L844 HydrophobicContact CG-CG 4.23Å; L840-L844 WeakPolarHBondContact O-CB 3.42Å; L840-L844 VanDerWaalsContact O-CG 3.3Å; L840-L844 WeakPolarHBondContact O-CG 3.09Å; L840-L844 PolarHBondContact O-N 2.96Å; L840-I1111 HydrophobicContact CB-CD1 4.1Å; L840-I1111 HydrophobicContact CD2-CD1 3.75Å; L840-I1111 HydrophobicContact CD2-CG1 4.27Å; L840-I1111 HydrophobicContact CD2-CG2 4.45Å; L840-Y1114 HydrophobicContact CB-CD1 4.33Å; L840-Y1114 HydrophobicContact CB-CE1 4.13Å; L840-Y1114 HydrophobicContact CD1-CD1 3.96Å
841	L	92.4	Very high	87.8	Confident	2 Å²	2	25.1 Å²	25.1	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-64.1	-49.8	-177.1	-64	165.6	0	0	0	113.1	P672 L698 L806 M837 F843 L844 L845 L1070 M1101 V1103	P672-L841 HydrophobicContact CG-CD2 4.42Å; L698-L841 HydrophobicContact CD1-CD2 4.09Å; L698-L841 HydrophobicContact CD2-CD2 4.16Å; L806-L841 HydrophobicContact CD1-CD2 4.3Å; L806-L841 HydrophobicContact CD2-CD1 3.57Å; M837-L841 HydrophobicContact CG-CD1 3.69Å; M837-L841 HydrophobicContact CG-CG 4.05Å; M837-L841 WeakPolarHBondContact O-CG 3.49Å; M837-L841 PolarHBondContact O-N 2.93Å; M837-L841 HydrophobicContact SD-CD1 4.34Å; L841-F843 VanDerWaalsContact C-N 3.33Å; L841-F843 PolarHBondContact O-N 3.25Å; L841-L844 PolarHBondContact O-N 2.99Å; L841-L845 VanDerWaalsContact O-CB 3.31Å; L841-L845 WeakPolarHBondContact O-CB 3.33Å; L841-L845 PolarHBondContact O-N 2.94Å; L841-L1070 HydrophobicContact CB-CD2 4.03Å; L841-M1101 HydrophobicContact CB-CE 4.13Å; L841-M1101 HydrophobicContact CD1-CE 4.14Å; L841-V1103 HydrophobicContact CD1-CG1 3.93Å; L841-V1103 HydrophobicContact CD1-CG2 3.86Å
842	P	92.5	Very high	88.1	Confident	2 Å²	2	33 Å²	33	1%	0.013	15%	0.147	C	C	.	.	H	α-helix	trans	-61.2	-38.8	172.8	-23.7	34	0	0	0	113.3	I826 V828 L838 M839 L845 R846 M856 L1070	I826-P842 HydrophobicContact CG2-CB 3.94Å; I826-P842 HydrophobicContact CG2-CG 4.24Å; V828-P842 HydrophobicContact CG2-CB 4.3Å; V828-P842 HydrophobicContact CG2-CG 3.53Å; L838-P842 WeakPolarHBondContact O-CD 3.19Å; L838-P842 VanDerWaalsContact O-CG 3.24Å; L838-P842 WeakPolarHBondContact O-CG 3.45Å; M839-P842 WeakPolarHBondContact O-CD 3.46Å; P842-L845 PolarHBondContact O-N 3.4Å; P842-R846 VanDerWaalsContact O-CB 3.31Å; P842-R846 WeakPolarHBondContact O-CB 3.49Å; P842-R846 PolarHBondContact O-N 3.42Å; P842-M856 HydrophobicContact CB-CE 4.15Å; P842-M856 HydrophobicContact CB-CG 4.44Å; P842-M856 HydrophobicContact CB-SD 4.04Å; P842-M856 HydrophobicContact CG-CE 4.37Å; P842-L1070 HydrophobicContact CG-CD1 3.96Å; P842-L1070 HydrophobicContact CG-CD2 3.62Å; P842-L1070 HydrophobicContact CG-CG 4.42Å
843	F	90.6	Very high	88.8	Confident	37 Å²	37	39.3 Å²	39.3	16%	0.162	17%	0.174	C	C	.	.	H	α-helix	trans	-59.4	-53.4	177.8	176.3	-92.9	0	0	0	110.4	M839 L840 L841 L845 R846 H847 I884	M839-F843 VanDerWaalsContact O-CB 3.3Å; M839-F843 WeakPolarHBondContact O-CB 3.27Å; M839-F843 PolarHBondContact O-N 3.4Å; L840-F843 HydrophobicContact CD1-CD1 4.49Å; L840-F843 PolarHBondContact O-N 3.47Å; L841-F843 VanDerWaalsContact C-N 3.33Å; L841-F843 PolarHBondContact O-N 3.25Å; F843-L845 PolarHBondContact O-N 2.99Å; F843-R846 PolarHBondContact O-N 2.74Å; F843-H847 AromaticContact CE1-NE2 3.47Å; F843-H847 WeakPolarHBondContact CE1-NE2 3.5Å; F843-H847 AromaticContact CZ-NE2 3.44Å; F843-H847 WeakPolarHBondContact CZ-NE2 3.37Å; F843-H847 PolarHBondContact O-CD2 3.29Å; F843-H847 PolarHBondContact O-N 2.79Å; F843-I884 HydrophobicContact CD2-CD1 4.34Å; F843-I884 HydrophobicContact CD2-CG1 4.01Å; F843-I884 HydrophobicContact CE2-CG1 4.14Å
844	L	91.3	Very high	89.5	Confident	30 Å²	30	37.8 Å²	37.8	16%	0.157	17%	0.167	C	C	.	.	H	α-helix	trans	-58	-45.8	175.1	-69.5	175	0	0	0	111.8	P672 L698 L840 L841 R846 H847	P672-L844 HydrophobicContact CG-CD1 4.03Å; L698-L844 HydrophobicContact CD1-CB 4.2Å; L840-L844 HydrophobicContact CD1-CD1 4.23Å; L840-L844 HydrophobicContact CD1-CG 4.11Å; L840-L844 HydrophobicContact CD2-CD1 4.44Å; L840-L844 HydrophobicContact CG-CD1 3.92Å; L840-L844 HydrophobicContact CG-CG 4.23Å; L840-L844 WeakPolarHBondContact O-CB 3.42Å; L840-L844 VanDerWaalsContact O-CG 3.3Å; L840-L844 WeakPolarHBondContact O-CG 3.09Å; L840-L844 PolarHBondContact O-N 2.96Å; L841-L844 PolarHBondContact O-N 2.99Å; L844-R846 VanDerWaalsContact C-N 3.34Å; L844-R846 PolarHBondContact O-N 3.4Å; L844-H847 WeakPolarHBondContact O-CB 3.39Å; L844-H847 PolarHBondContact O-N 3.46Å; L844-H847 VanDerWaalsContact O-N 3.16Å
845	L	91.8	Very high	90.1	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.016	19%	0.185	C	C	.	.	H	α-helix	trans	-62.9	-39	-178	-164.9	68.4	0	0	0	112.2	L694 Q697 L698 L841 P842 F843 H847 H848 W851 L1068	L694-L845 HydrophobicContact CD1-CD1 4.18Å; Q697-L845 HydrophobicContact CB-CD1 4.03Å; L698-L845 HydrophobicContact CB-CD1 4.36Å; L841-L845 VanDerWaalsContact O-CB 3.31Å; L841-L845 WeakPolarHBondContact O-CB 3.33Å; L841-L845 PolarHBondContact O-N 2.94Å; P842-L845 PolarHBondContact O-N 3.4Å; F843-L845 PolarHBondContact O-N 2.99Å; L845-H847 PolarHBondContact O-N 2.91Å; L845-H848 VanDerWaalsContact O-CB 3.29Å; L845-H848 WeakPolarHBondContact O-CB 3.04Å; L845-H848 PolarHBondContact O-N 3Å; L845-W851 HydrophobicContact CD1-CG 4.47Å; L845-W851 HydrophobicContact CD2-CD2 3.86Å; L845-W851 HydrophobicContact CD2-CE3 4.38Å; L845-W851 HydrophobicContact CD2-CG 4.06Å; L845-W851 HydrophobicContact CD2-CZ2 4.25Å; L845-W851 HydrophobicContact CG-CB 4.34Å; L845-W851 HydrophobicContact CG-CD2 4.11Å; L845-W851 HydrophobicContact CG-CG 3.76Å; L845-W851 WeakPolarHBondContact O-CB 3.31Å; L845-L1068 HydrophobicContact CD2-CD2 3.51Å
846	R	91.8	Very high	90.8	Very high	72 Å²	72	42.6 Å²	42.6	27%	0.272	19%	0.186	S	C	.	.	H	α-helix	trans	-67	-17.7	177.4	-175.9	172.5	165.4	-156.5	-5.4	113.6	P842 F843 L844 H848 R852 C854 T885	P842-R846 VanDerWaalsContact O-CB 3.31Å; P842-R846 WeakPolarHBondContact O-CB 3.49Å; P842-R846 PolarHBondContact O-N 3.42Å; F843-R846 PolarHBondContact O-N 2.74Å; L844-R846 VanDerWaalsContact C-N 3.34Å; L844-R846 PolarHBondContact O-N 3.4Å; R846-H848 PolarHBondContact O-N 3.39Å; R846-R852 VanDerWaalsContact O-CA 3.24Å; R846-R852 WeakPolarHBondContact O-CA 3.2Å; R846-C854 PolarHBondContact NE-O 3.33Å; R846-T885 PolarHBondContact NH1-O 3.03Å; R846-T885 PolarHBondContact NH1-OG1 3.26Å; R846-T885 VanDerWaalsContact NH1-OG1 3.12Å; R846-T885 PolarHBondContact NH2-OG1 3.12Å
847	H	88.9	Confident	91.3	Very high	118 Å²	118	45.3 Å²	45.3	55%	0.546	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-19.9	168.2	-74.5	-80.1	0	0	0	112.8	F843 L844 L845	F843-H847 AromaticContact CE1-NE2 3.47Å; F843-H847 WeakPolarHBondContact CE1-NE2 3.5Å; F843-H847 AromaticContact CZ-NE2 3.44Å; F843-H847 WeakPolarHBondContact CZ-NE2 3.37Å; F843-H847 PolarHBondContact O-CD2 3.29Å; F843-H847 PolarHBondContact O-N 2.79Å; L844-H847 WeakPolarHBondContact O-CB 3.39Å; L844-H847 PolarHBondContact O-N 3.46Å; L844-H847 VanDerWaalsContact O-N 3.16Å; L845-H847 PolarHBondContact O-N 2.91Å
848	H	90.9	Very high	91.5	Very high	32 Å²	32	45.1 Å²	45.1	15%	0.148	19%	0.192	C	C	.	.	S	Bend	trans	-78.4	149.5	179.3	-164.4	-107.1	0	0	0	113.4	Q697 L845 R846 V850 W851 R852	Q697-H848 HydrophobicContact CB-CB 4.48Å; Q697-H848 WeakPolarHBondContact CG-ND1 3.48Å; Q697-H848 WeakPolarHBondContact O-CB 3.46Å; L845-H848 VanDerWaalsContact O-CB 3.29Å; L845-H848 WeakPolarHBondContact O-CB 3.04Å; L845-H848 PolarHBondContact O-N 3Å; R846-H848 PolarHBondContact O-N 3.39Å; H848-V850 VanDerWaalsContact ND1-CG2 3.33Å; H848-V850 WeakPolarHBondContact ND1-CG2 3.23Å; H848-V850 PolarHBondContact O-N 3Å; H848-V850 VanDerWaalsContact O-N 3.09Å; H848-W851 PolarHBondContact O-N 3.15Å; H848-W851 VanDerWaalsContact O-N 3.16Å; H848-R852 WeakPolarHBondContact O-CB 3.17Å; H848-R852 PolarHBondContact O-N 3.35Å
849	K	91.1	Very high	91.7	Very high	142 Å²	142	45.4 Å²	45.4	62%	0.617	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-27.5	-174.6	-67	178.6	-178.8	175	0	114.2
850	V	92.9	Very high	91.8	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.006	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-44.6	-179.9	177.7	0	0	0	0	111.4	Q697 P815 E819 F821 H848	Q697-V850 HydrophobicContact CG-CG2 4.29Å; P815-V850 HydrophobicContact CB-CG1 3.97Å; P815-V850 HydrophobicContact CG-CG1 3.64Å; E819-V850 WeakPolarHBondContact O-CG2 3.47Å; F821-V850 HydrophobicContact CD2-CG1 4.19Å; F821-V850 HydrophobicContact CE2-CG1 4.14Å; F821-V850 PolarHBondContact N-O 2.87Å; H848-V850 VanDerWaalsContact ND1-CG2 3.33Å; H848-V850 WeakPolarHBondContact ND1-CG2 3.23Å; H848-V850 PolarHBondContact O-N 3Å; H848-V850 VanDerWaalsContact O-N 3.09Å
851	W	93	Very high	91.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-5.6	-167.8	-58	96	0	0	0	114	P815 F821 I826 L845 H848 K853 C854 K1067 L1068	P815-W851 HydrophobicContact CG-CH2 4.39Å; P815-W851 HydrophobicContact CG-CZ2 3.7Å; F821-W851 HydrophobicContact CD2-CD2 4.31Å; F821-W851 AromaticContact CD2-CE3 3.93Å; F821-W851 HydrophobicContact CD2-CE3 3.93Å; F821-W851 HydrophobicContact CD2-CZ3 4.07Å; F821-W851 HydrophobicContact CE2-CD2 4.16Å; F821-W851 AromaticContact CE2-CE3 3.81Å; F821-W851 HydrophobicContact CE2-CE3 3.81Å; F821-W851 AromaticContact CE2-CH2 3.65Å; F821-W851 HydrophobicContact CE2-CH2 3.65Å; F821-W851 AromaticContact CE2-CZ2 4Å; F821-W851 HydrophobicContact CE2-CZ2 4Å; F821-W851 AromaticContact CE2-CZ3 3.54Å; F821-W851 HydrophobicContact CE2-CZ3 3.54Å; F821-W851 HydrophobicContact CZ-CH2 4.36Å; F821-W851 HydrophobicContact CZ-CZ3 4.48Å; I826-W851 HydrophobicContact CD1-CB 4.37Å; I826-W851 HydrophobicContact CD1-CE3 3.96Å; I826-W851 HydrophobicContact CG1-CE3 4.03Å; I826-W851 HydrophobicContact CG1-CZ3 4.37Å; L845-W851 HydrophobicContact CD1-CG 4.47Å; L845-W851 HydrophobicContact CD2-CD2 3.86Å; L845-W851 HydrophobicContact CD2-CE3 4.38Å; L845-W851 HydrophobicContact CD2-CG 4.06Å; L845-W851 HydrophobicContact CD2-CZ2 4.25Å; L845-W851 HydrophobicContact CG-CB 4.34Å; L845-W851 HydrophobicContact CG-CD2 4.11Å; L845-W851 HydrophobicContact CG-CG 3.76Å; L845-W851 WeakPolarHBondContact O-CB 3.31Å; H848-W851 PolarHBondContact O-N 3.15Å; H848-W851 VanDerWaalsContact O-N 3.16Å; W851-K853 PolarHBondContact O-N 3.17Å; W851-C854 WeakPolarHBondContact O-CB 3.37Å; W851-C854 PolarHBondContact O-N 3.3Å; W851-K1067 HydrophobicContact CZ3-CB 4.09Å; W851-L1068 HydrophobicContact CH2-CB 3.85Å; W851-L1068 HydrophobicContact CH2-CD2 4.23Å; W851-L1068 HydrophobicContact CH2-CG 4.5Å; W851-L1068 HydrophobicContact CZ3-CB 3.71Å; W851-L1068 HydrophobicContact CZ3-CD2 4.39Å
852	R	90.8	Very high	91.2	Very high	165 Å²	165	45.5 Å²	45.5	62%	0.623	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-29.5	-175.2	-173	176.4	64.4	168.8	3.2	115.7	R846 H848	R846-R852 VanDerWaalsContact O-CA 3.24Å; R846-R852 WeakPolarHBondContact O-CA 3.2Å; H848-R852 WeakPolarHBondContact O-CB 3.17Å; H848-R852 PolarHBondContact O-N 3.35Å
853	K	91.4	Very high	90.7	Very high	139 Å²	139	46.4 Å²	46.4	60%	0.604	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-7.2	178.5	-71.8	-163.8	175.7	-170.5	0	114	S822 W851	S822-K853 WeakPolarHBondContact O-CD 3.2Å; W851-K853 PolarHBondContact O-N 3.17Å
854	C	91.7	Very high	90.1	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.014	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-74.8	137.5	179.9	-58.3	0	0	0	0	110.9	G824 I826 R846 W851	G824-C854 CarbonylContact O-C 3.59Å; G824-C854 VanDerWaalsContact O-CA 3.25Å; G824-C854 WeakPolarHBondContact O-CA 3.44Å; I826-C854 HydrophobicContact CD1-CB 4.07Å; I826-C854 HydrophobicContact CG1-CB 3.91Å; R846-C854 PolarHBondContact NE-O 3.33Å; W851-C854 WeakPolarHBondContact O-CB 3.37Å; W851-C854 PolarHBondContact O-N 3.3Å
855	K	92.6	Very high	89.6	Confident	125 Å²	125	54.9 Å²	54.9	54%	0.543	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	148.7	169.5	-67.1	-175.2	172.2	-166.9	0	110.1	G824 S825 I826 E887	G824-K855 PolarHBondContact O-N 3.43Å; S825-K855 CarbonylContact C-O 3.49Å; S825-K855 VanDerWaalsContact CA-O 3.27Å; S825-K855 WeakPolarHBondContact CA-O 3.37Å; I826-K855 PolarHBondContact N-O 3.26Å; K855-E887 IonicContact NZ-OE1 3.53Å
856	M	92.7	Very high	89	Confident	6 Å²	6	55.6 Å²	55.6	3%	0.03	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	126	175.3	-177.2	174.8	168.3	0	0	109.2	I826 V828 M839 P842 I858 I884 A886 E887	I826-M856 WeakPolarHBondContact O-CA 3.49Å; V828-M856 HydrophobicContact CG2-CE 4.29Å; M839-M856 HydrophobicContact CB-CE 4.23Å; M839-M856 HydrophobicContact CG-CE 4.37Å; P842-M856 HydrophobicContact CB-CE 4.15Å; P842-M856 HydrophobicContact CB-CG 4.44Å; P842-M856 HydrophobicContact CB-SD 4.04Å; P842-M856 HydrophobicContact CG-CE 4.37Å; M856-I858 HydrophobicContact CE-CD1 3.9Å; M856-I858 HydrophobicContact CE-CG1 4.04Å; M856-I884 HydrophobicContact CE-CG2 4.47Å; M856-I884 HydrophobicContact SD-CG2 4.11Å; M856-A886 HydrophobicContact CB-CB 3.92Å; M856-A886 HydrophobicContact CE-CB 4.48Å; M856-A886 HydrophobicContact CG-CB 3.78Å; M856-A886 CarbonylContact O-C 3.53Å; M856-A886 VanDerWaalsContact O-CA 3.24Å; M856-A886 WeakPolarHBondContact O-CA 3.27Å; M856-A886 HydrophobicContact SD-CB 4.06Å; M856-E887 PolarHBondContact O-N 3.33Å
857	R	94.5	Very high	88.7	Confident	67 Å²	67	55.7 Å²	55.7	25%	0.253	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	131.2	175.3	-56.3	-166.6	-64.3	174.3	4.4	109	I826 D827 V828 F859 E887 K1062	I826-R857 PolarHBondContact O-N 2.94Å; D827-R857 IonicContact OD1-CZ 3.46Å; D827-R857 IonicContact OD1-NE 2.85Å; D827-R857 PolarHBondContact OD1-NE 3.09Å; D827-R857 IonicContact OD1-NH2 3.23Å; D827-R857 PolarHBondContact OD1-NH2 3.48Å; D827-R857 IonicContact OD2-CZ 3.52Å; D827-R857 IonicContact OD2-NE 3.62Å; D827-R857 IonicContact OD2-NH2 2.67Å; D827-R857 PolarHBondContact OD2-NH2 2.89Å; V828-R857 PolarHBondContact N-O 3.47Å; R857-F859 HydrophobicContact CB-CE2 3.88Å; R857-F859 HydrophobicContact CB-CZ 4.05Å; R857-E887 CarbonylContact C-O 3.57Å; R857-E887 WeakPolarHBondContact CA-O 3.39Å; R857-E887 HydrophobicContact CG-CB 4.44Å; R857-K1062 PolarHBondContact NH2-O 3.31Å
858	I	93.3	Very high	88.5	Confident	1 Å²	1	51 Å²	51	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	120.1	179.1	-49.6	177.6	0	0	0	108.7	V828 M839 M856 T860 L875 L879 A886 E887 E889	V828-I858 HydrophobicContact CB-CG1 4.47Å; V828-I858 WeakPolarHBondContact O-CA 3.47Å; M839-I858 HydrophobicContact CG-CD1 4.15Å; M839-I858 HydrophobicContact SD-CD1 4.26Å; M856-I858 HydrophobicContact CE-CD1 3.9Å; M856-I858 HydrophobicContact CE-CG1 4.04Å; I858-T860 HydrophobicContact CG2-CG2 3.92Å; I858-L875 HydrophobicContact CG2-CD2 4.31Å; I858-L879 HydrophobicContact CD1-CD1 3.83Å; I858-L879 HydrophobicContact CD1-CD2 4.03Å; I858-A886 HydrophobicContact CD1-CB 4.04Å; I858-A886 HydrophobicContact CG1-CB 4.14Å; I858-E887 PolarHBondContact N-O 3.18Å; I858-E889 PolarHBondContact O-N 3.36Å
859	F	93.8	Very high	88.3	Confident	7 Å²	7	56 Å²	56	3%	0.031	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	116	173.9	-55.9	-80.7	0	0	0	108.3	D827 V828 W829 W830 R857 E889 K1062	D827-F859 HydrophobicContact CB-CD2 4.46Å; D827-F859 HydrophobicContact CB-CE2 3.92Å; V828-F859 PolarHBondContact O-N 2.82Å; W829-F859 HydrophobicContact CD2-CB 3.7Å; W829-F859 HydrophobicContact CD2-CD2 4.22Å; W829-F859 HydrophobicContact CD2-CG 4.18Å; W829-F859 AromaticContact CE2-CD2 3.69Å; W829-F859 AromaticContact CE2-CG 3.82Å; W829-F859 HydrophobicContact CE3-CB 3.69Å; W829-F859 HydrophobicContact CE3-CG 4.48Å; W829-F859 HydrophobicContact CG-CB 4.32Å; W829-F859 HydrophobicContact CG-CD2 4.47Å; W829-F859 HydrophobicContact CH2-CB 4.04Å; W829-F859 HydrophobicContact CH2-CD1 4.38Å; W829-F859 HydrophobicContact CH2-CG 4.15Å; W829-F859 HydrophobicContact CZ2-CB 4.04Å; W829-F859 HydrophobicContact CZ2-CD1 4.21Å; W829-F859 AromaticContact CZ2-CD2 3.99Å; W829-F859 HydrophobicContact CZ2-CD2 3.99Å; W829-F859 AromaticContact CZ2-CG 3.81Å; W829-F859 HydrophobicContact CZ2-CG 3.81Å; W829-F859 HydrophobicContact CZ3-CB 3.87Å; W829-F859 HydrophobicContact CZ3-CG 4.48Å; W829-F859 AromaticContact NE1-CD2 3.64Å; W830-F859 PolarHBondContact N-O 3.4Å; R857-F859 HydrophobicContact CB-CE2 3.88Å; R857-F859 HydrophobicContact CB-CZ 4.05Å; F859-E889 WeakPolarHBondContact CA-O 3.09Å; F859-E889 HydrophobicContact CD1-CB 3.99Å; F859-E889 HydrophobicContact CE1-CB 4.27Å; F859-E889 VanDerWaalsContact CE1-OE2 3.3Å; F859-E889 WeakPolarHBondContact CE1-OE2 3.18Å; F859-K1062 HydrophobicContact CD1-CD 4.15Å; F859-K1062 HydrophobicContact CE1-CB 4.4Å; F859-K1062 HydrophobicContact CE1-CD 3.89Å; F859-K1062 HydrophobicContact CZ-CB 4.43Å
860	T	90	Very high	87.9	Confident	4 Å²	4	52.7 Å²	52.7	3%	0.025	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128.5	-179.6	63.1	0	0	0	0	110.7	W830 I858 L875 E889 V890 V891	W830-T860 HydrophobicContact CB-CG2 4.36Å; W830-T860 HydrophobicContact CD2-CG2 4.43Å; W830-T860 HydrophobicContact CE3-CG2 3.68Å; W830-T860 HydrophobicContact CZ3-CG2 4.45Å; I858-T860 HydrophobicContact CG2-CG2 3.92Å; T860-L875 HydrophobicContact CG2-CD2 3.73Å; T860-E889 PolarHBondContact N-O 3.32Å; T860-V890 WeakPolarHBondContact O-CA 3.31Å; T860-V891 PolarHBondContact O-N 2.89Å
861	V	86.4	Confident	87.4	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	118.5	-177.8	-171.3	0	0	0	0	111.8	W829 W830 I831 V891 M893 I898 R938	W829-V861 HydrophobicContact CE3-CG2 4.44Å; W830-V861 PolarHBondContact O-N 2.98Å; I831-V861 HydrophobicContact CG1-CG2 4.03Å; I831-V861 HydrophobicContact CG2-CB 4.5Å; I831-V861 HydrophobicContact CG2-CG2 4.45Å; V861-V891 WeakPolarHBondContact CA-O 3.46Å; V861-M893 HydrophobicContact CG1-CB 4.01Å; V861-M893 HydrophobicContact CG1-CG 3.95Å; V861-M893 HydrophobicContact CG1-SD 3.94Å; V861-I898 HydrophobicContact CG1-CG2 3.9Å; V861-R938 PolarHBondContact O-NH1 2.95Å
862	A	83.9	Confident	87.2	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	147.9	175.7	0	0	0	0	0	110.7	D866 M871 V890 V891 E892 M893	A862-D866 HydrophobicContact CB-CB 4.26Å; A862-M871 HydrophobicContact CB-CE 4.28Å; A862-M871 HydrophobicContact CB-SD 4.38Å; A862-V890 HydrophobicContact CB-CG1 3.56Å; A862-V891 PolarHBondContact N-O 3.47Å; A862-E892 HydrophobicContact CB-CG 4.5Å; A862-E892 WeakPolarHBondContact O-CA 3.37Å; A862-M893 PolarHBondContact O-N 3.09Å
863	Q	81.4	Confident	87.1	Confident	21 Å²	21	55.9 Å²	55.9	10%	0.098	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	158	167.6	-68.4	170.4	-89.1	0	0	109	D865 D866 E895 I898	Q863-D865 PolarHBondContact O-N 3.41Å; Q863-D865 VanDerWaalsContact O-N 3.09Å; Q863-D866 WeakPolarHBondContact CB-OD2 3.06Å; Q863-D866 PolarHBondContact N-OD2 3.43Å; Q863-D866 WeakPolarHBondContact O-CB 3.41Å; Q863-D866 PolarHBondContact O-N 3.28Å; Q863-E895 PolarHBondContact NE2-OE1 3.45Å; Q863-I898 HydrophobicContact CG-CD1 3.58Å
864	M	77.9	Confident	86.8	Confident	117 Å²	117	51.2 Å²	51.2	58%	0.576	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-25.6	175.2	-65.9	-71.3	-179.2	0	0	113.3
865	D	80.3	Confident	86.5	Confident	128 Å²	128	51.3 Å²	51.3	68%	0.684	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-10.1	179.6	-53.8	-25.2	0	0	0	113.6	Q863 I941	Q863-D865 PolarHBondContact O-N 3.41Å; Q863-D865 VanDerWaalsContact O-N 3.09Å; D865-I941 VanDerWaalsContact O-CD1 3.27Å; D865-I941 WeakPolarHBondContact O-CD1 2.99Å
866	D	79.6	Confident	86.3	Confident	18 Å²	18	48.7 Å²	48.7	10%	0.096	24%	0.241	C	C	.	.	S	Bend	trans	-88.5	145.3	-179.8	-65.8	-56.5	0	0	0	111.4	A862 Q863 S868 M871 R938	A862-D866 HydrophobicContact CB-CB 4.26Å; Q863-D866 WeakPolarHBondContact CB-OD2 3.06Å; Q863-D866 PolarHBondContact N-OD2 3.43Å; Q863-D866 WeakPolarHBondContact O-CB 3.41Å; Q863-D866 PolarHBondContact O-N 3.28Å; D866-S868 PolarHBondContact O-N 3.48Å; D866-M871 HydrophobicContact CB-CE 3.98Å; D866-R938 WeakPolarHBondContact OD1-CB 3.38Å; D866-R938 VanDerWaalsContact OD1-CG 3.23Å; D866-R938 WeakPolarHBondContact OD1-CG 3.37Å; D866-R938 IonicContact OD1-NE 3.53Å; D866-R938 PolarHBondContact OD1-NE 2.93Å; D866-R938 IonicContact OD2-CZ 3.76Å; D866-R938 IonicContact OD2-NE 3.79Å; D866-R938 PolarHBondContact OD2-NE 2.85Å; D866-R938 IonicContact OD2-NH2 2.68Å; D866-R938 PolarHBondContact OD2-NH2 3.49Å
867	N	85.1	Confident	86	Confident	74 Å²	74	51.3 Å²	51.3	40%	0.396	26%	0.258	S	S	.	.			trans	-76.9	90.1	172.6	-173.1	-21.7	0	0	0	111.3	I869 Q870 M871 I941	N867-I869 VanDerWaalsContact C-N 3.33Å; N867-I869 PolarHBondContact O-N 3.5Å; N867-I869 PolarHBondContact OD1-N 2.75Å; N867-Q870 HydrophobicContact CB-CB 4.05Å; N867-Q870 VanDerWaalsContact CG-CB 3.43Å; N867-Q870 PolarHBondContact O-N 2.93Å; N867-Q870 WeakPolarHBondContact OD1-CB 3.32Å; N867-Q870 PolarHBondContact OD1-N 3.37Å; N867-M871 WeakPolarHBondContact O-CB 3.43Å; N867-M871 PolarHBondContact O-N 3.38Å; N867-I941 HydrophobicContact CB-CD1 4.26Å
868	S	85.2	Confident	85.5	Confident	21 Å²	21	48.5 Å²	48.5	15%	0.147	25%	0.248	C	C	.	.	H	α-helix	trans	-59.3	-37.2	-179.7	61	0	0	0	0	113.9	D866 K872 E892	D866-S868 PolarHBondContact O-N 3.48Å; S868-K872 WeakPolarHBondContact O-CB 3.44Å; S868-K872 PolarHBondContact O-N 2.85Å; S868-E892 WeakPolarHBondContact CB-OE1 3.47Å; S868-E892 PolarHBondContact OG-OE1 3.29Å
869	I	86.2	Confident	85.2	Confident	135 Å²	135	48.7 Å²	48.7	69%	0.692	25%	0.248	S	C	*	.	H	α-helix	trans	-66.1	-47.3	179.3	-58.3	175.2	0	0	0	110.5	N867 K872 K873	N867-I869 VanDerWaalsContact C-N 3.33Å; N867-I869 PolarHBondContact O-N 3.5Å; N867-I869 PolarHBondContact OD1-N 2.75Å; I869-K872 PolarHBondContact O-N 3.07Å; I869-K873 PolarHBondContact O-N 3.18Å; I869-K873 VanDerWaalsContact O-N 3.11Å
870	Q	83.4	Confident	84.9	Confident	74 Å²	74	57.2 Å²	57.2	35%	0.346	28%	0.282	S	S	.	.	H	α-helix	trans	-65.3	-45.6	177.8	-177	59.2	31.5	0	0	110.6	N867 K872 K873 D874	N867-Q870 HydrophobicContact CB-CB 4.05Å; N867-Q870 VanDerWaalsContact CG-CB 3.43Å; N867-Q870 PolarHBondContact O-N 2.93Å; N867-Q870 WeakPolarHBondContact OD1-CB 3.32Å; N867-Q870 PolarHBondContact OD1-N 3.37Å; Q870-K872 VanDerWaalsContact C-N 3.31Å; Q870-K872 PolarHBondContact O-N 3.13Å; Q870-K873 WeakPolarHBondContact O-CB 3.37Å; Q870-K873 PolarHBondContact O-N 3.37Å; Q870-K873 VanDerWaalsContact O-N 3.07Å; Q870-D874 WeakPolarHBondContact CG-OD2 3.44Å; Q870-D874 PolarHBondContact NE2-OD1 3.39Å; Q870-D874 PolarHBondContact NE2-OD2 3.36Å; Q870-D874 VanDerWaalsContact O-CG 3.28Å; Q870-D874 PolarHBondContact O-N 3.21Å
871	M	81.9	Confident	84.5	Confident	5 Å²	5	63.7 Å²	63.7	3%	0.025	31%	0.312	C	S	.	.	H	α-helix	trans	-56.3	-43.5	176.1	-168.7	-178.5	-58.2	0	0	112	A862 D866 N867 K873 D874 L875 T934 R938	A862-M871 HydrophobicContact CB-CE 4.28Å; A862-M871 HydrophobicContact CB-SD 4.38Å; D866-M871 HydrophobicContact CB-CE 3.98Å; N867-M871 WeakPolarHBondContact O-CB 3.43Å; N867-M871 PolarHBondContact O-N 3.38Å; M871-K873 PolarHBondContact O-N 3.42Å; M871-D874 PolarHBondContact O-N 3.17Å; M871-L875 WeakPolarHBondContact O-CB 3.49Å; M871-L875 PolarHBondContact O-N 2.87Å; M871-T934 HydrophobicContact CG-CG2 4.49Å; M871-R938 HydrophobicContact CE-CG 3.6Å
872	K	88.8	Confident	84.1	Confident	94 Å²	94	65.1 Å²	65.1	41%	0.409	32%	0.319	S	S	.	.	H	α-helix	trans	-61	-43.4	175.4	-171.2	169.8	-180	167.5	0	112.3	S868 I869 Q870 T876 V888 V890	S868-K872 WeakPolarHBondContact O-CB 3.44Å; S868-K872 PolarHBondContact O-N 2.85Å; I869-K872 PolarHBondContact O-N 3.07Å; Q870-K872 VanDerWaalsContact C-N 3.31Å; Q870-K872 PolarHBondContact O-N 3.13Å; K872-T876 WeakPolarHBondContact O-CB 3.42Å; K872-T876 PolarHBondContact O-N 3.38Å; K872-T876 PolarHBondContact O-OG1 2.72Å; K872-V888 WeakPolarHBondContact CE-O 3.33Å; K872-V888 HydrophobicContact CG-CG1 4.26Å; K872-V890 HydrophobicContact CB-CG2 3.66Å; K872-V890 HydrophobicContact CG-CG2 4.26Å
873	K	88.3	Confident	84.2	Confident	134 Å²	134	75.8 Å²	75.8	58%	0.583	36%	0.359	S	S	*	.	H	α-helix	trans	-66.9	-45	-179.8	-174.4	-176.7	176.3	-173.1	0	111.6	I869 Q870 M871 T876 T877	I869-K873 PolarHBondContact O-N 3.18Å; I869-K873 VanDerWaalsContact O-N 3.11Å; Q870-K873 WeakPolarHBondContact O-CB 3.37Å; Q870-K873 PolarHBondContact O-N 3.37Å; Q870-K873 VanDerWaalsContact O-N 3.07Å; M871-K873 PolarHBondContact O-N 3.42Å; K873-T876 PolarHBondContact O-N 3.07Å; K873-T877 WeakPolarHBondContact O-CB 3.21Å; K873-T877 PolarHBondContact O-N 3.31Å; K873-T877 PolarHBondContact O-OG1 3.43Å
874	D	85.4	Confident	84.5	Confident	40 Å²	40	75.3 Å²	75.3	21%	0.214	36%	0.357	C	S	.	.	H	α-helix	trans	-62.6	-47.2	178.5	-66.6	-24.2	0	0	0	110.6	Q870 M871 T876 T877 F878 I933 S937	Q870-D874 WeakPolarHBondContact CG-OD2 3.44Å; Q870-D874 PolarHBondContact NE2-OD1 3.39Å; Q870-D874 PolarHBondContact NE2-OD2 3.36Å; Q870-D874 VanDerWaalsContact O-CG 3.28Å; Q870-D874 PolarHBondContact O-N 3.21Å; M871-D874 PolarHBondContact O-N 3.17Å; D874-T876 PolarHBondContact O-N 3.45Å; D874-T877 PolarHBondContact O-N 2.99Å; D874-F878 WeakPolarHBondContact O-CB 3.48Å; D874-F878 PolarHBondContact O-N 3.14Å; D874-I933 HydrophobicContact CB-CG2 4.07Å; D874-S937 PolarHBondContact OD2-OG 2.9Å
875	L	86.3	Confident	85	Confident	4 Å²	4	74.2 Å²	74.2	2%	0.021	36%	0.357	C	S	.	.	H	α-helix	trans	-60.9	-42.8	177.2	-151.1	87.5	0	0	0	112.7	W830 I858 T860 M871 F878 L879 V888 I930 T934	W830-L875 HydrophobicContact CE3-CD1 4.3Å; W830-L875 HydrophobicContact CZ3-CD1 3.62Å; I858-L875 HydrophobicContact CG2-CD2 4.31Å; T860-L875 HydrophobicContact CG2-CD2 3.73Å; M871-L875 WeakPolarHBondContact O-CB 3.49Å; M871-L875 PolarHBondContact O-N 2.87Å; L875-F878 PolarHBondContact O-N 2.83Å; L875-L879 HydrophobicContact CD2-CD1 4.4Å; L875-L879 HydrophobicContact CG-CD1 4.42Å; L875-L879 VanDerWaalsContact O-CG 3.28Å; L875-L879 WeakPolarHBondContact O-CG 3.46Å; L875-L879 PolarHBondContact O-N 3.24Å; L875-V888 HydrophobicContact CB-CG1 4.19Å; L875-V888 HydrophobicContact CD2-CB 4.25Å; L875-V888 HydrophobicContact CD2-CG1 3.39Å; L875-V888 HydrophobicContact CD2-CG2 3.8Å; L875-V888 HydrophobicContact CG-CG1 4.35Å; L875-I930 HydrophobicContact CD1-CD1 3.45Å; L875-I930 VanDerWaalsContact CD1-CD1 3.45Å; L875-I930 HydrophobicContact CD1-CG1 4.07Å; L875-I930 HydrophobicContact CG-CD1 4.2Å; L875-T934 HydrophobicContact CD1-CG2 4.4Å
876	T	88.6	Confident	85.4	Confident	70 Å²	70	69.3 Å²	69.3	43%	0.429	34%	0.335	S	S	.	.	H	α-helix	trans	-64.8	-42.5	178.9	-56.5	0	0	0	0	111	K872 K873 D874 Y880	K872-T876 WeakPolarHBondContact O-CB 3.42Å; K872-T876 PolarHBondContact O-N 3.38Å; K872-T876 PolarHBondContact O-OG1 2.72Å; K873-T876 PolarHBondContact O-N 3.07Å; D874-T876 PolarHBondContact O-N 3.45Å; T876-Y880 WeakPolarHBondContact O-CB 3.47Å; T876-Y880 PolarHBondContact O-N 3.13Å
877	T	86.3	Confident	85.9	Confident	61 Å²	61	73.1 Å²	73.1	37%	0.374	35%	0.352	S	S	.	.	H	α-helix	trans	-64.7	-41.7	177.2	-52.8	0	0	0	0	111.1	K873 D874 Y880 H881	K873-T877 WeakPolarHBondContact O-CB 3.21Å; K873-T877 PolarHBondContact O-N 3.31Å; K873-T877 PolarHBondContact O-OG1 3.43Å; D874-T877 PolarHBondContact O-N 2.99Å; T877-Y880 WeakPolarHBondContact O-CB 3.46Å; T877-Y880 PolarHBondContact O-N 3.25Å; T877-H881 PolarHBondContact O-N 3.43Å
878	F	83.4	Confident	86.3	Confident	9 Å²	9	70.6 Å²	70.6	4%	0.039	34%	0.339	C	S	.	.	H	α-helix	trans	-62	-48.9	176.5	180	-94.9	0	0	0	112.8	M839 D874 L875 Y880 H881 L882 R928 I930 I933	M839-F878 HydrophobicContact CE-CE1 3.96Å; D874-F878 WeakPolarHBondContact O-CB 3.48Å; D874-F878 PolarHBondContact O-N 3.14Å; L875-F878 PolarHBondContact O-N 2.83Å; F878-Y880 VanDerWaalsContact C-N 3.28Å; F878-Y880 PolarHBondContact O-N 3.29Å; F878-H881 PolarHBondContact O-N 2.63Å; F878-L882 HydrophobicContact CD1-CD1 3.87Å; F878-L882 HydrophobicContact CE1-CD1 3.19Å; F878-L882 HydrophobicContact CE1-CG 4.14Å; F878-L882 HydrophobicContact CE2-CD1 4.43Å; F878-L882 HydrophobicContact CZ-CD1 3.55Å; F878-L882 HydrophobicContact CZ-CG 4.3Å; F878-L882 PolarHBondContact O-N 2.95Å; F878-R928 WeakPolarHBondContact CE2-O 3.22Å; F878-R928 VanDerWaalsContact CZ-O 3.28Å; F878-R928 WeakPolarHBondContact CZ-O 3.3Å; F878-I930 HydrophobicContact CD1-CB 4.2Å; F878-I930 HydrophobicContact CD1-CD1 3.43Å; F878-I930 VanDerWaalsContact CD1-CD1 3.43Å; F878-I930 HydrophobicContact CD1-CG1 3.69Å; F878-I930 HydrophobicContact CE1-CB 3.56Å; F878-I930 HydrophobicContact CE1-CD1 3.49Å; F878-I930 VanDerWaalsContact CE1-CD1 3.49Å; F878-I930 HydrophobicContact CE1-CG1 3.59Å; F878-I930 HydrophobicContact CE2-CB 4.3Å; F878-I930 HydrophobicContact CE2-CG1 4.5Å; F878-I930 HydrophobicContact CG-CD1 4.31Å; F878-I930 HydrophobicContact CG-CG1 4.22Å; F878-I930 HydrophobicContact CZ-CB 3.6Å; F878-I930 HydrophobicContact CZ-CD1 4.39Å; F878-I930 HydrophobicContact CZ-CG1 4Å; F878-I933 HydrophobicContact CB-CD1 4.46Å; F878-I933 HydrophobicContact CD2-CD1 3.2Å; F878-I933 HydrophobicContact CE2-CD1 3.6Å; F878-I933 HydrophobicContact CG-CD1 4.08Å
879	L	87	Confident	86.6	Confident	4 Å²	4	73.1 Å²	73.1	2%	0.021	35%	0.348	C	S	.	.	H	α-helix	trans	-62.7	-35.9	177	-69	164.7	0	0	0	111.9	M839 I858 L875 L882 R883 I884 A886 V888	M839-L879 HydrophobicContact SD-CD2 3.88Å; I858-L879 HydrophobicContact CD1-CD1 3.83Å; I858-L879 HydrophobicContact CD1-CD2 4.03Å; L875-L879 HydrophobicContact CD2-CD1 4.4Å; L875-L879 HydrophobicContact CG-CD1 4.42Å; L875-L879 VanDerWaalsContact O-CG 3.28Å; L875-L879 WeakPolarHBondContact O-CG 3.46Å; L875-L879 PolarHBondContact O-N 3.24Å; L879-L882 CarbonylContact O-C 3.23Å; L879-L882 PolarHBondContact O-N 2.8Å; L879-R883 PolarHBondContact O-N 3.3Å; L879-I884 HydrophobicContact CD2-CB 3.89Å; L879-I884 HydrophobicContact CD2-CD1 4.32Å; L879-I884 HydrophobicContact CD2-CG2 3.9Å; L879-I884 PolarHBondContact O-N 3.28Å; L879-A886 HydrophobicContact CD1-CB 4.49Å; L879-V888 HydrophobicContact CD1-CG2 3.35Å
880	Y	86.5	Confident	86.8	Confident	187 Å²	187	67.8 Å²	67.8	73%	0.733	32%	0.322	S	S	*	.	H	α-helix	trans	-62.3	-46.2	173.3	178.4	-102.7	0	0	0	111.9	T876 T877 F878 L882 R883	T876-Y880 WeakPolarHBondContact O-CB 3.47Å; T876-Y880 PolarHBondContact O-N 3.13Å; T877-Y880 WeakPolarHBondContact O-CB 3.46Å; T877-Y880 PolarHBondContact O-N 3.25Å; F878-Y880 VanDerWaalsContact C-N 3.28Å; F878-Y880 PolarHBondContact O-N 3.29Å; Y880-L882 VanDerWaalsContact C-N 3.28Å; Y880-L882 PolarHBondContact O-N 3.46Å; Y880-R883 PolarHBondContact O-N 3.31Å
881	H	81.4	Confident	87.1	Confident	140 Å²	140	65 Å²	65	65%	0.648	31%	0.31	S	S	*	.	H	α-helix	trans	-60.3	-36.1	174.4	-68.7	171.9	0	0	0	112.8	T877 F878 R883	T877-H881 PolarHBondContact O-N 3.43Å; F878-H881 PolarHBondContact O-N 2.63Å; H881-R883 VanDerWaalsContact C-N 3.32Å
882	L	79.4	Confident	87.3	Confident	32 Å²	32	69.6 Å²	69.6	17%	0.168	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-5.4	174.7	-65.8	-177.8	0	0	0	114.6	F878 L879 Y880 I884 Y1114	F878-L882 HydrophobicContact CD1-CD1 3.87Å; F878-L882 HydrophobicContact CE1-CD1 3.19Å; F878-L882 HydrophobicContact CE1-CG 4.14Å; F878-L882 HydrophobicContact CE2-CD1 4.43Å; F878-L882 HydrophobicContact CZ-CD1 3.55Å; F878-L882 HydrophobicContact CZ-CG 4.3Å; F878-L882 PolarHBondContact O-N 2.95Å; L879-L882 CarbonylContact O-C 3.23Å; L879-L882 PolarHBondContact O-N 2.8Å; Y880-L882 VanDerWaalsContact C-N 3.28Å; Y880-L882 PolarHBondContact O-N 3.46Å; L882-I884 HydrophobicContact CB-CD1 3.97Å; L882-I884 HydrophobicContact CB-CG1 3.91Å; L882-I884 HydrophobicContact CD1-CD1 3.92Å; L882-I884 PolarHBondContact O-N 3Å; L882-Y1114 HydrophobicContact CD1-CD2 3.39Å; L882-Y1114 HydrophobicContact CD1-CE2 3.48Å; L882-Y1114 VanDerWaalsContact CD1-CE2 3.48Å; L882-Y1114 HydrophobicContact CD1-CG 4.07Å; L882-Y1114 HydrophobicContact CD2-CD2 3.82Å; L882-Y1114 HydrophobicContact CD2-CE2 4.37Å; L882-Y1114 HydrophobicContact CG-CD2 4.2Å
883	R	86.5	Confident	87.1	Confident	224 Å²	224	65.7 Å²	65.7	85%	0.845	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	25.1	-173.8	-52	177.7	177.7	178.5	-2.3	114	L879 Y880 H881 T885	L879-R883 PolarHBondContact O-N 3.3Å; Y880-R883 PolarHBondContact O-N 3.31Å; H881-R883 VanDerWaalsContact C-N 3.32Å; R883-T885 PolarHBondContact O-N 3.37Å
884	I	86.9	Confident	86.7	Confident	10 Å²	10	64.5 Å²	64.5	5%	0.051	31%	0.311	C	S	.	.			trans	-83.8	111.4	176.9	-61.9	176.7	0	0	0	108.6	F843 M856 L879 L882 A886 Y1114	F843-I884 HydrophobicContact CD2-CD1 4.34Å; F843-I884 HydrophobicContact CD2-CG1 4.01Å; F843-I884 HydrophobicContact CE2-CG1 4.14Å; M856-I884 HydrophobicContact CE-CG2 4.47Å; M856-I884 HydrophobicContact SD-CG2 4.11Å; L879-I884 HydrophobicContact CD2-CB 3.89Å; L879-I884 HydrophobicContact CD2-CD1 4.32Å; L879-I884 HydrophobicContact CD2-CG2 3.9Å; L879-I884 PolarHBondContact O-N 3.28Å; L882-I884 HydrophobicContact CB-CD1 3.97Å; L882-I884 HydrophobicContact CB-CG1 3.91Å; L882-I884 HydrophobicContact CD1-CD1 3.92Å; L882-I884 PolarHBondContact O-N 3Å; I884-A886 HydrophobicContact CG2-CB 4.27Å; I884-A886 PolarHBondContact O-N 2.81Å; I884-A886 VanDerWaalsContact O-N 3.13Å; I884-Y1114 HydrophobicContact CD1-CD1 3.9Å; I884-Y1114 HydrophobicContact CD1-CG 3.97Å
885	T	87.4	Confident	86	Confident	95 Å²	95	67.4 Å²	67.4	58%	0.583	32%	0.324	S	S	*	.			trans	-79.6	93.5	175.9	48.3	0	0	0	0	110.5	R846 R883	R846-T885 PolarHBondContact NH1-O 3.03Å; R846-T885 PolarHBondContact NH1-OG1 3.26Å; R846-T885 VanDerWaalsContact NH1-OG1 3.12Å; R846-T885 PolarHBondContact NH2-OG1 3.12Å; R883-T885 PolarHBondContact O-N 3.37Å
886	A	89.5	Confident	85.3	Confident	25 Å²	25	69.8 Å²	69.8	21%	0.207	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	148.4	175.9	0	0	0	0	0	111.7	M856 I858 L879 I884	M856-A886 HydrophobicContact CB-CB 3.92Å; M856-A886 HydrophobicContact CE-CB 4.48Å; M856-A886 HydrophobicContact CG-CB 3.78Å; M856-A886 CarbonylContact O-C 3.53Å; M856-A886 VanDerWaalsContact O-CA 3.24Å; M856-A886 WeakPolarHBondContact O-CA 3.27Å; M856-A886 HydrophobicContact SD-CB 4.06Å; I858-A886 HydrophobicContact CD1-CB 4.04Å; I858-A886 HydrophobicContact CG1-CB 4.14Å; L879-A886 HydrophobicContact CD1-CB 4.49Å; I884-A886 HydrophobicContact CG2-CB 4.27Å; I884-A886 PolarHBondContact O-N 2.81Å; I884-A886 VanDerWaalsContact O-N 3.13Å
887	E	91.3	Very high	84.6	Confident	98 Å²	98	67.1 Å²	67.1	46%	0.458	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	132.5	173.7	-66.9	166.8	-164.9	0	0	108.9	K855 M856 R857 I858	K855-E887 IonicContact NZ-OE1 3.53Å; M856-E887 PolarHBondContact O-N 3.33Å; R857-E887 CarbonylContact C-O 3.57Å; R857-E887 WeakPolarHBondContact CA-O 3.39Å; R857-E887 HydrophobicContact CG-CB 4.44Å; I858-E887 PolarHBondContact N-O 3.18Å
888	V	92.3	Very high	84.1	Confident	20 Å²	20	64.2 Å²	64.2	12%	0.121	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	129.5	-176.8	179.4	0	0	0	0	111.3	K872 L875 L879	K872-V888 WeakPolarHBondContact CE-O 3.33Å; K872-V888 HydrophobicContact CG-CG1 4.26Å; L875-V888 HydrophobicContact CB-CG1 4.19Å; L875-V888 HydrophobicContact CD2-CB 4.25Å; L875-V888 HydrophobicContact CD2-CG1 3.39Å; L875-V888 HydrophobicContact CD2-CG2 3.8Å; L875-V888 HydrophobicContact CG-CG1 4.35Å; L879-V888 HydrophobicContact CD1-CG2 3.35Å
889	E	92.5	Very high	83.4	Confident	75 Å²	75	64.5 Å²	64.5	35%	0.35	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	135.2	169.2	-154.6	-173.4	175.6	0	0	111.1	I858 F859 T860 K1062	I858-E889 PolarHBondContact O-N 3.36Å; F859-E889 WeakPolarHBondContact CA-O 3.09Å; F859-E889 HydrophobicContact CD1-CB 3.99Å; F859-E889 HydrophobicContact CE1-CB 4.27Å; F859-E889 VanDerWaalsContact CE1-OE2 3.3Å; F859-E889 WeakPolarHBondContact CE1-OE2 3.18Å; T860-E889 PolarHBondContact N-O 3.32Å; E889-K1062 IonicContact OE1-NZ 3.46Å; E889-K1062 PolarHBondContact OE1-NZ 2.93Å; E889-K1062 IonicContact OE2-NZ 3.15Å; E889-K1062 PolarHBondContact OE2-NZ 3.37Å
890	V	89.8	Confident	82.5	Confident	23 Å²	23	64.7 Å²	64.7	14%	0.139	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	131.9	173.9	-176	0	0	0	0	107.5	T860 A862 K872	T860-V890 WeakPolarHBondContact O-CA 3.31Å; A862-V890 HydrophobicContact CB-CG1 3.56Å; K872-V890 HydrophobicContact CB-CG2 3.66Å; K872-V890 HydrophobicContact CG-CG2 4.26Å
891	V	89.7	Confident	81.7	Confident	16 Å²	16	56 Å²	56	10%	0.097	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	117.8	178.8	-176.7	0	0	0	0	108.1	W829 T860 V861 A862 M893 V1058	W829-V891 HydrophobicContact CH2-CG2 4.24Å; W829-V891 HydrophobicContact CZ3-CG2 4.15Å; T860-V891 PolarHBondContact O-N 2.89Å; V861-V891 WeakPolarHBondContact CA-O 3.46Å; A862-V891 PolarHBondContact N-O 3.47Å; V891-M893 HydrophobicContact CG1-CG 4.26Å; V891-V1058 HydrophobicContact CG1-CG1 3.95Å
892	E	86.7	Confident	81	Confident	101 Å²	101	50.2 Å²	50.2	47%	0.472	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	129.8	178.1	-69.2	170.3	-175.5	0	0	110	A862 S868	A862-E892 HydrophobicContact CB-CG 4.5Å; A862-E892 WeakPolarHBondContact O-CA 3.37Å; S868-E892 WeakPolarHBondContact CB-OE1 3.47Å; S868-E892 PolarHBondContact OG-OE1 3.29Å
893	M	83.3	Confident	80.3	Confident	12 Å²	12	56 Å²	56	6%	0.059	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	153.6	177.9	-65	-169.8	74.3	0	0	111.1	V861 A862 V891 D897 I898 L1055	V861-M893 HydrophobicContact CG1-CB 4.01Å; V861-M893 HydrophobicContact CG1-CG 3.95Å; V861-M893 HydrophobicContact CG1-SD 3.94Å; A862-M893 PolarHBondContact O-N 3.09Å; V891-M893 HydrophobicContact CG1-CG 4.26Å; M893-D897 HydrophobicContact CE-CB 3.97Å; M893-I898 HydrophobicContact CB-CG2 4.28Å; M893-I898 HydrophobicContact SD-CG2 4.4Å; M893-L1055 HydrophobicContact CE-CB 4.48Å; M893-L1055 HydrophobicContact CE-CD1 4Å; M893-L1055 HydrophobicContact SD-CD1 3.75Å
894	H	80.1	Confident	79.1	Confident	108 Å²	108	48.6 Å²	48.6	50%	0.5	25%	0.247	S	C	.	.			trans	-75.5	148.6	175.7	-166.8	-101.9	0	0	0	111.1	S896 D897	H894-S896 VanDerWaalsContact C-N 3.27Å; H894-S896 PolarHBondContact ND1-OG 3Å; H894-S896 PolarHBondContact O-N 3Å; H894-D897 WeakPolarHBondContact O-CB 3.43Å; H894-D897 PolarHBondContact O-N 3.02Å
895	E	70.8	Confident	78	Confident	102 Å²	102	50 Å²	50	48%	0.477	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-61.8	-32.9	-174.2	-179	164.1	-138.8	0	0	113.4	Q863 D897 I898 S899	Q863-E895 PolarHBondContact NE2-OE1 3.45Å; E895-D897 PolarHBondContact O-N 2.97Å; E895-D897 VanDerWaalsContact O-N 3.17Å; E895-I898 PolarHBondContact O-N 2.68Å; E895-S899 PolarHBondContact O-N 2.03Å; E895-S899 VanDerWaalsContact O-N 3.1Å
896	S	71.2	Confident	76.7	Confident	53 Å²	53	50.5 Å²	50.5	37%	0.371	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-51.8	-38.3	171.8	54.8	0	0	0	0	112.4	H894 I898 S899 T1051	H894-S896 VanDerWaalsContact C-N 3.27Å; H894-S896 PolarHBondContact ND1-OG 3Å; H894-S896 PolarHBondContact O-N 3Å; S896-I898 VanDerWaalsContact C-N 3.31Å; S896-I898 PolarHBondContact O-N 2.99Å; S896-S899 WeakPolarHBondContact O-CB 3.36Å; S896-S899 PolarHBondContact O-OG 2.74Å; S896-T1051 PolarHBondContact O-OG1 2.98Å; S896-T1051 VanDerWaalsContact O-OG1 3.11Å
897	D	75.3	Confident	75.4	Confident	14 Å²	14	54.4 Å²	54.4	8%	0.075	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-90	1.3	-168.7	-56.6	-2.8	0	0	0	111.9	M893 H894 E895 T1051 R1054	M893-D897 HydrophobicContact CE-CB 3.97Å; H894-D897 WeakPolarHBondContact O-CB 3.43Å; H894-D897 PolarHBondContact O-N 3.02Å; E895-D897 PolarHBondContact O-N 2.97Å; E895-D897 VanDerWaalsContact O-N 3.17Å; D897-T1051 VanDerWaalsContact C-CG2 3.42Å; D897-T1051 VanDerWaalsContact O-CG2 3.26Å; D897-T1051 WeakPolarHBondContact O-CG2 3.47Å; D897-R1054 IonicContact OD1-NH1 2.72Å; D897-R1054 WeakPolarHBondContact OD2-CD 3.42Å; D897-R1054 IonicContact OD2-CZ 3.85Å; D897-R1054 IonicContact OD2-NE 2.74Å; D897-R1054 IonicContact OD2-NH1 3.7Å; D897-R1054 PolarHBondContact OD2-NH1 3.46Å
898	I	75.2	Confident	74.1	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-129.2	10.3	170.9	60.4	168.4	0	0	0	113.3	V861 Q863 M893 E895 S896 A900 Y901 T902	V861-I898 HydrophobicContact CG1-CG2 3.9Å; Q863-I898 HydrophobicContact CG-CD1 3.58Å; M893-I898 HydrophobicContact CB-CG2 4.28Å; M893-I898 HydrophobicContact SD-CG2 4.4Å; E895-I898 PolarHBondContact O-N 2.68Å; S896-I898 VanDerWaalsContact C-N 3.31Å; S896-I898 PolarHBondContact O-N 2.99Å; I898-A900 PolarHBondContact O-N 3Å; I898-Y901 PolarHBondContact O-N 2.83Å; I898-T902 HydrophobicContact CD1-CG2 3.54Å; I898-T902 HydrophobicContact CG1-CG2 3.78Å; I898-T902 PolarHBondContact O-N 3.45Å
899	S	69.6	Low	72.8	Confident	15 Å²	15	56 Å²	56	11%	0.105	28%	0.284	C	S	.	.	H	α-helix	trans	-55.4	-26.9	-171.5	57.5	0	0	0	0	115.5	E895 S896 Y901 T902	E895-S899 PolarHBondContact O-N 2.03Å; E895-S899 VanDerWaalsContact O-N 3.1Å; S896-S899 WeakPolarHBondContact O-CB 3.36Å; S896-S899 PolarHBondContact O-OG 2.74Å; S899-Y901 VanDerWaalsContact C-N 3.29Å; S899-Y901 PolarHBondContact O-N 2.83Å; S899-T902 WeakPolarHBondContact CA-OG1 3.4Å
900	A	66.6	Low	71.6	Confident	8 Å²	8	58.4 Å²	58.4	7%	0.066	30%	0.295	C	S	.	.	H	α-helix	trans	-68.9	-23	174.7	0	0	0	0	0	113.9	I898 F1089	I898-A900 PolarHBondContact O-N 3Å; A900-F1089 HydrophobicContact CB-CE2 4.15Å; A900-F1089 HydrophobicContact CB-CZ 3.89Å
901	Y	70.3	Confident	70.6	Confident	5 Å²	5	62.7 Å²	62.7	2%	0.02	31%	0.314	C	S	.	.	H	α-helix	trans	-103.9	-27.8	-178	-63.8	-86.6	0	0	0	113	I831 H833 I898 S899 L1055 N1072 P1074 L1093	I831-Y901 HydrophobicContact CB-CD1 4.44Å; I831-Y901 HydrophobicContact CB-CE1 4.5Å; I831-Y901 HydrophobicContact CD1-CE2 4.15Å; I831-Y901 HydrophobicContact CG2-CD1 4.18Å; I831-Y901 HydrophobicContact CG2-CD2 3.76Å; I831-Y901 HydrophobicContact CG2-CE2 4.15Å; I831-Y901 HydrophobicContact CG2-CG 3.77Å; H833-Y901 PolarHBondContact NE2-O 3.47Å; I898-Y901 PolarHBondContact O-N 2.83Å; S899-Y901 VanDerWaalsContact C-N 3.29Å; S899-Y901 PolarHBondContact O-N 2.83Å; Y901-L1055 HydrophobicContact CE2-CD2 3.9Å; Y901-N1072 WeakPolarHBondContact CE1-ND2 3.3Å; Y901-N1072 WeakPolarHBondContact CE1-O 3.23Å; Y901-N1072 PolarHBondContact OH-O 3.43Å; Y901-P1074 HydrophobicContact CD1-CB 4.12Å; Y901-P1074 HydrophobicContact CE1-CB 3.85Å; Y901-P1074 HydrophobicContact CE1-CG 4.27Å; Y901-L1093 WeakPolarHBondContact OH-CD2 3.34Å
902	T	67.3	Low	69.6	Low	18 Å²	18	64.1 Å²	64.1	11%	0.11	32%	0.317	C	S	.	.	H	α-helix	trans	-76.9	-31.3	179.3	53.6	0	0	0	0	113.1	I898 S899 E904 K905	I898-T902 HydrophobicContact CD1-CG2 3.54Å; I898-T902 HydrophobicContact CG1-CG2 3.78Å; I898-T902 PolarHBondContact O-N 3.45Å; S899-T902 WeakPolarHBondContact CA-OG1 3.4Å; T902-E904 VanDerWaalsContact C-N 3.33Å; T902-E904 PolarHBondContact O-N 3.38Å; T902-K905 WeakPolarHBondContact O-CB 3.47Å; T902-K905 PolarHBondContact O-N 3.2Å
903	Y	63.9	Low	68.9	Low	155 Å²	155	61.9 Å²	61.9	61%	0.608	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-38.4	-178.4	-176.8	-102.6	0	0	0	113.9	K905	Y903-K905 VanDerWaalsContact C-N 3.31Å
904	E	61.2	Low	68.3	Low	67 Å²	67	66.2 Å²	66.2	31%	0.313	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-9.1	179.4	-58.3	-169.7	144.2	0	0	112.9	T902 V908 G1075 R1104	T902-E904 VanDerWaalsContact C-N 3.33Å; T902-E904 PolarHBondContact O-N 3.38Å; E904-V908 WeakPolarHBondContact O-CG2 3.48Å; E904-V908 PolarHBondContact O-N 3.36Å; E904-G1075 WeakPolarHBondContact OE2-CA 3.31Å; E904-G1075 PolarHBondContact OE2-N 2.98Å; E904-R1104 IonicContact OE2-NH2 3.04Å
905	K	64.3	Low	67.9	Low	41 Å²	41	63.5 Å²	63.5	18%	0.178	32%	0.321	C	S	.	.	H	α-helix	trans	-62.8	-50.3	-167.5	-175.2	-175.2	-173.3	179.8	0	113.5	V832 T902 Y903 L907 M909	V832-K905 HydrophobicContact CG1-CB 4.49Å; V832-K905 HydrophobicContact CG1-CD 3.69Å; V832-K905 HydrophobicContact CG1-CG 3.9Å; T902-K905 WeakPolarHBondContact O-CB 3.47Å; T902-K905 PolarHBondContact O-N 3.2Å; Y903-K905 VanDerWaalsContact C-N 3.31Å; K905-L907 PolarHBondContact O-N 2.83Å; K905-M909 WeakPolarHBondContact O-CB 3.15Å; K905-M909 PolarHBondContact O-N 3.44Å; K905-M909 VanDerWaalsContact O-N 3.07Å
906	T	59.5	Low	67.9	Low	105 Å²	105	59.6 Å²	59.6	64%	0.644	30%	0.304	S	S	*	.	H	α-helix	trans	-64.7	-42.1	-169.8	-24.6	0	0	0	0	112.1	E910	T906-E910 PolarHBondContact O-N 3.4Å
907	L	62.3	Low	67.9	Low	107 Å²	107	64.1 Å²	64.1	56%	0.56	32%	0.317	S	S	*	.	H	α-helix	trans	-77	-38.8	-174.3	-167.2	147.4	0	0	0	112.3	K905 Q911	K905-L907 PolarHBondContact O-N 2.83Å; L907-Q911 PolarHBondContact O-N 3.27Å
908	V	64.5	Low	67.6	Low	63 Å²	63	70.2 Å²	70.2	38%	0.382	35%	0.345	S	S	.	.	H	α-helix	trans	-72.5	-36.7	177.8	177.3	0	0	0	0	111.5	E904 E910 Q911 R912	E904-V908 WeakPolarHBondContact O-CG2 3.48Å; E904-V908 PolarHBondContact O-N 3.36Å; V908-E910 PolarHBondContact O-N 3.11Å; V908-Q911 PolarHBondContact O-N 3.08Å; V908-R912 WeakPolarHBondContact O-CB 3.45Å; V908-R912 PolarHBondContact O-N 3.45Å
909	M	64.9	Low	67.1	Low	87 Å²	87	71.6 Å²	71.6	43%	0.429	35%	0.352	S	S	.	.	H	α-helix	trans	-64.4	-37.7	179.1	-168.6	-179.6	78.3	0	0	112.4	K905 S913 D935	K905-M909 WeakPolarHBondContact O-CB 3.15Å; K905-M909 PolarHBondContact O-N 3.44Å; K905-M909 VanDerWaalsContact O-N 3.07Å; M909-S913 WeakPolarHBondContact O-CB 3.45Å; M909-S913 PolarHBondContact O-N 2.7Å; M909-D935 HydrophobicContact SD-CB 4.43Å
910	E	67.5	Low	67.1	Low	127 Å²	127	78.5 Å²	78.5	59%	0.593	38%	0.382	S	S	*	.	H	α-helix	trans	-68.4	-46.1	177	-174.2	168.7	-162	0	0	112.2	T906 V908 R912 S913 Q914	T906-E910 PolarHBondContact O-N 3.4Å; V908-E910 PolarHBondContact O-N 3.11Å; E910-R912 VanDerWaalsContact C-N 3.33Å; E910-R912 PolarHBondContact O-N 3.41Å; E910-S913 WeakPolarHBondContact O-CB 3.34Å; E910-S913 PolarHBondContact O-N 3.48Å; E910-S913 VanDerWaalsContact O-N 3.16Å; E910-Q914 WeakPolarHBondContact O-CG 3.31Å; E910-Q914 PolarHBondContact O-N 2.73Å
911	Q	68.9	Low	67.4	Low	113 Å²	113	78.7 Å²	78.7	53%	0.528	38%	0.382	S	S	.	.	H	α-helix	trans	-58.3	-44.2	174	-72.3	-174.1	-23.2	0	0	111.8	L907 V908 S913 Q914 I915	L907-Q911 PolarHBondContact O-N 3.27Å; V908-Q911 PolarHBondContact O-N 3.08Å; Q911-S913 VanDerWaalsContact C-N 3.33Å; Q911-S913 PolarHBondContact O-N 3.02Å; Q911-Q914 PolarHBondContact O-N 3.32Å; Q911-I915 WeakPolarHBondContact O-CG1 3.44Å; Q911-I915 PolarHBondContact O-N 3.39Å
912	R	68.8	Low	67.7	Low	46 Å²	46	82.2 Å²	82.2	17%	0.174	40%	0.404	C	S	.	.	H	α-helix	trans	-59.2	-42.9	175	-172.4	-177	-174.6	132.1	6.5	111.8	V908 E910 Q914 I915 L916 E929	V908-R912 WeakPolarHBondContact O-CB 3.45Å; V908-R912 PolarHBondContact O-N 3.45Å; E910-R912 VanDerWaalsContact C-N 3.33Å; E910-R912 PolarHBondContact O-N 3.41Å; R912-Q914 PolarHBondContact O-N 3.42Å; R912-I915 PolarHBondContact O-N 2.89Å; R912-L916 HydrophobicContact CG-CD1 4.13Å; R912-L916 HydrophobicContact CG-CG 4.48Å; R912-L916 VanDerWaalsContact O-CG 3.3Å; R912-L916 WeakPolarHBondContact O-CG 3.46Å; R912-L916 PolarHBondContact O-N 2.84Å; R912-E929 IonicContact CZ-OE1 3.55Å; R912-E929 IonicContact NE-OE1 2.67Å; R912-E929 PolarHBondContact NE-OE1 3.33Å; R912-E929 IonicContact NH2-OE1 2.7Å; R912-E929 PolarHBondContact NH2-OE1 3.24Å
913	S	71.2	Confident	68	Low	54 Å²	54	88.7 Å²	88.7	38%	0.378	43%	0.43	S	S	.	.	H	α-helix	trans	-62.9	-38.5	178	-169.8	0	0	0	0	112.7	M909 E910 Q911 L916 K917	M909-S913 WeakPolarHBondContact O-CB 3.45Å; M909-S913 PolarHBondContact O-N 2.7Å; E910-S913 WeakPolarHBondContact O-CB 3.34Å; E910-S913 PolarHBondContact O-N 3.48Å; E910-S913 VanDerWaalsContact O-N 3.16Å; Q911-S913 VanDerWaalsContact C-N 3.33Å; Q911-S913 PolarHBondContact O-N 3.02Å; S913-L916 PolarHBondContact O-N 2.81Å; S913-K917 WeakPolarHBondContact O-CG 3.45Å; S913-K917 PolarHBondContact O-N 2.97Å; S913-K917 VanDerWaalsContact O-N 3.15Å
914	Q	71.8	Confident	68.5	Low	103 Å²	103	86.4 Å²	86.4	48%	0.481	43%	0.429	S	S	.	.	H	α-helix	trans	-65.1	-44.5	173.9	-65.8	177	7.5	0	0	111.7	E910 Q911 R912 L916 K917 Q918	E910-Q914 WeakPolarHBondContact O-CG 3.31Å; E910-Q914 PolarHBondContact O-N 2.73Å; Q911-Q914 PolarHBondContact O-N 3.32Å; R912-Q914 PolarHBondContact O-N 3.42Å; Q914-L916 PolarHBondContact O-N 3.48Å; Q914-K917 PolarHBondContact O-N 3.03Å; Q914-Q918 PolarHBondContact O-N 3.19Å; Q914-Q918 VanDerWaalsContact O-N 3.15Å
915	I	72.1	Confident	69	Low	50 Å²	50	85.6 Å²	85.6	26%	0.256	43%	0.425	S	S	.	.	H	α-helix	trans	-60.3	-44.3	176.1	-72	165.4	0	0	0	111.1	Q911 R912 K917 Q918 M919	Q911-I915 WeakPolarHBondContact O-CG1 3.44Å; Q911-I915 PolarHBondContact O-N 3.39Å; R912-I915 PolarHBondContact O-N 2.89Å; I915-K917 VanDerWaalsContact C-N 3.32Å; I915-K917 PolarHBondContact O-N 3.2Å; I915-Q918 PolarHBondContact O-N 3.44Å; I915-M919 HydrophobicContact CG2-CE 3.55Å; I915-M919 WeakPolarHBondContact O-CE 3.18Å; I915-M919 PolarHBondContact O-N 3.42Å
916	L	69.6	Low	69.4	Low	21 Å²	21	89.3 Å²	89.3	11%	0.11	44%	0.438	C	S	.	.	H	α-helix	trans	-62.9	-34.2	177	-71.6	170.1	0	0	0	113.3	R912 S913 Q914 M919 L921 E929 V1110	R912-L916 HydrophobicContact CG-CD1 4.13Å; R912-L916 HydrophobicContact CG-CG 4.48Å; R912-L916 VanDerWaalsContact O-CG 3.3Å; R912-L916 WeakPolarHBondContact O-CG 3.46Å; R912-L916 PolarHBondContact O-N 2.84Å; S913-L916 PolarHBondContact O-N 2.81Å; Q914-L916 PolarHBondContact O-N 3.48Å; L916-M919 HydrophobicContact CD2-CE 3.93Å; L916-L921 HydrophobicContact CD2-CD1 3.61Å; L916-E929 WeakPolarHBondContact CD2-OE2 3.47Å; L916-V1110 HydrophobicContact CD2-CG2 3.81Å
917	K	71	Confident	69.9	Low	147 Å²	147	89 Å²	89	64%	0.639	43%	0.429	S	S	*	.	H	α-helix	trans	-67	-42.4	173.8	-72.2	170.6	-176.3	177.8	0	111.8	S913 Q914 I915 M919 H920	S913-K917 WeakPolarHBondContact O-CG 3.45Å; S913-K917 PolarHBondContact O-N 2.97Å; S913-K917 VanDerWaalsContact O-N 3.15Å; Q914-K917 PolarHBondContact O-N 3.03Å; I915-K917 VanDerWaalsContact C-N 3.32Å; I915-K917 PolarHBondContact O-N 3.2Å; K917-M919 VanDerWaalsContact C-N 3.26Å; K917-M919 PolarHBondContact O-N 3.02Å; K917-H920 PolarHBondContact O-N 2.81Å
918	Q	69.3	Low	70.4	Confident	142 Å²	142	90.3 Å²	90.3	66%	0.664	43%	0.427	S	S	*	.	H	α-helix	trans	-62.6	-31	178.3	-69.2	173.6	-4.3	0	0	112.8	Q914 I915 H920	Q914-Q918 PolarHBondContact O-N 3.19Å; Q914-Q918 VanDerWaalsContact O-N 3.15Å; I915-Q918 PolarHBondContact O-N 3.44Å; Q918-H920 VanDerWaalsContact C-N 3.3Å; Q918-H920 PolarHBondContact O-N 3.16Å; Q918-H920 PolarHBondContact O-ND1 3.44Å
919	M	65.6	Low	70.9	Confident	30 Å²	30	87.4 Å²	87.4	15%	0.148	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-0.2	-176.1	-76.7	-173.8	-70.7	0	0	116.2	T667 K668 I915 L916 K917 L921 V1110	T667-M919 VanDerWaalsContact CB-SD 3.57Å; T667-M919 HydrophobicContact CG2-SD 4.43Å; T667-M919 PolarHBondContact OG1-SD 2.87Å; K668-M919 WeakPolarHBondContact CE-O 3.34Å; I915-M919 HydrophobicContact CG2-CE 3.55Å; I915-M919 WeakPolarHBondContact O-CE 3.18Å; I915-M919 PolarHBondContact O-N 3.42Å; L916-M919 HydrophobicContact CD2-CE 3.93Å; K917-M919 VanDerWaalsContact C-N 3.26Å; K917-M919 PolarHBondContact O-N 3.02Å; M919-L921 VanDerWaalsContact C-N 3.28Å; M919-L921 HydrophobicContact CB-CG 4.28Å; M919-L921 PolarHBondContact O-N 2.88Å; M919-V1110 HydrophobicContact CE-CG2 3.66Å
920	H	69.8	Low	71.2	Confident	160 Å²	160	83.4 Å²	83.4	74%	0.741	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.6	51.5	177.2	-64.9	70.3	0	0	0	112.2	K668 K917 Q918	K668-H920 PolarHBondContact NZ-O 3.43Å; K917-H920 PolarHBondContact O-N 2.81Å; Q918-H920 VanDerWaalsContact C-N 3.3Å; Q918-H920 PolarHBondContact O-N 3.16Å; Q918-H920 PolarHBondContact O-ND1 3.44Å
921	L	71.6	Confident	71.1	Confident	11 Å²	11	77.7 Å²	77.7	6%	0.058	36%	0.363	C	S	.	.			trans	-75.3	131.3	176.1	-71.7	163.8	0	0	0	110.2	K668 L916 M919 E925	K668-L921 HydrophobicContact CD-CD2 3.76Å; K668-L921 HydrophobicContact CG-CD2 3.97Å; L916-L921 HydrophobicContact CD2-CD1 3.61Å; M919-L921 VanDerWaalsContact C-N 3.28Å; M919-L921 HydrophobicContact CB-CG 4.28Å; M919-L921 PolarHBondContact O-N 2.88Å; L921-E925 HydrophobicContact CB-CB 4.45Å; L921-E925 HydrophobicContact CD2-CB 3.94Å
922	T	75.9	Confident	71.2	Confident	80 Å²	80	73.7 Å²	73.7	49%	0.491	35%	0.347	S	S	.	.			trans	-65.5	158.6	170.4	60.8	0	0	0	0	110.6	N924 E925 R926	T922-N924 VanDerWaalsContact C-N 3.31Å; T922-N924 PolarHBondContact O-N 3.46Å; T922-E925 PolarHBondContact N-OE2 3.38Å; T922-E925 PolarHBondContact O-N 3.22Å; T922-E925 VanDerWaalsContact O-N 3.08Å; T922-E925 VanDerWaalsContact OG1-CD 3.31Å; T922-E925 WeakPolarHBondContact OG1-CG 3.37Å; T922-E925 PolarHBondContact OG1-N 2.96Å; T922-E925 PolarHBondContact OG1-OE2 3.21Å; T922-R926 PolarHBondContact O-N 3Å
923	K	74.6	Confident	71.2	Confident	153 Å²	153	73.2 Å²	73.2	67%	0.665	35%	0.347	S	S	*	.	H	α-helix	trans	-55.5	-47.2	-178.7	-163	-171.1	-179.4	-156.6	0	111.7	E925 R926 E927	K923-E925 VanDerWaalsContact C-N 3.3Å; K923-E925 PolarHBondContact O-N 3.28Å; K923-R926 WeakPolarHBondContact O-CB 3.25Å; K923-R926 PolarHBondContact O-N 3.1Å; K923-R926 VanDerWaalsContact O-N 3.12Å; K923-E927 WeakPolarHBondContact CE-OE1 3.48Å; K923-E927 WeakPolarHBondContact CG-OE1 3.23Å; K923-E927 IonicContact NZ-OE1 3.86Å; K923-E927 WeakPolarHBondContact O-CG 3.42Å; K923-E927 PolarHBondContact O-N 3.4Å
924	N	74.7	Confident	71	Confident	108 Å²	108	71 Å²	71	58%	0.578	33%	0.332	S	S	*	.	H	α-helix	trans	-64.6	-27.5	178.4	-60.4	4.9	0	0	0	113.8	T922 R928	T922-N924 VanDerWaalsContact C-N 3.31Å; T922-N924 PolarHBondContact O-N 3.46Å; N924-R928 WeakPolarHBondContact O-CD 3.35Å; N924-R928 VanDerWaalsContact O-CG 3.32Å; N924-R928 WeakPolarHBondContact O-CG 3.33Å
925	E	72.1	Confident	70.9	Confident	50 Å²	50	68.1 Å²	68.1	23%	0.234	32%	0.32	C	S	.	.	H	α-helix	trans	-75.4	-39.2	172.8	-74.5	170.6	134.8	0	0	111.2	K668 L921 T922 K923 R928 T1112	K668-E925 IonicContact NZ-OE1 3.46Å; K668-E925 PolarHBondContact NZ-OE1 2.72Å; K668-E925 IonicContact NZ-OE2 3.27Å; K668-E925 PolarHBondContact NZ-OE2 2.88Å; K668-E925 VanDerWaalsContact NZ-OE2 3.15Å; L921-E925 HydrophobicContact CB-CB 4.45Å; L921-E925 HydrophobicContact CD2-CB 3.94Å; T922-E925 PolarHBondContact N-OE2 3.38Å; T922-E925 PolarHBondContact O-N 3.22Å; T922-E925 VanDerWaalsContact O-N 3.08Å; T922-E925 VanDerWaalsContact OG1-CD 3.31Å; T922-E925 WeakPolarHBondContact OG1-CG 3.37Å; T922-E925 PolarHBondContact OG1-N 2.96Å; T922-E925 PolarHBondContact OG1-OE2 3.21Å; K923-E925 VanDerWaalsContact C-N 3.3Å; K923-E925 PolarHBondContact O-N 3.28Å; E925-R928 WeakPolarHBondContact O-CB 3Å; E925-R928 PolarHBondContact O-N 2.74Å; E925-T1112 HydrophobicContact CB-CG2 4.37Å
926	R	71.8	Confident	70.7	Confident	118 Å²	118	72.8 Å²	72.8	45%	0.445	34%	0.341	S	S	.	.	H	α-helix	trans	-66.4	-39.6	177.3	-166.5	179.9	-58.9	172.1	5.8	111.9	T922 K923 R928 E929 S932	T922-R926 PolarHBondContact O-N 3Å; K923-R926 WeakPolarHBondContact O-CB 3.25Å; K923-R926 PolarHBondContact O-N 3.1Å; K923-R926 VanDerWaalsContact O-N 3.12Å; R926-R928 PolarHBondContact O-N 2.81Å; R926-R928 VanDerWaalsContact O-N 3.15Å; R926-E929 PolarHBondContact O-N 2.79Å; R926-S932 PolarHBondContact O-OG 3.05Å
927	E	70.8	Confident	70.4	Confident	99 Å²	99	72.5 Å²	72.5	46%	0.463	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-5.5	171.6	-68.8	170.9	-169.4	0	0	113.3	K923	K923-E927 WeakPolarHBondContact CE-OE1 3.48Å; K923-E927 WeakPolarHBondContact CG-OE1 3.23Å; K923-E927 IonicContact NZ-OE1 3.86Å; K923-E927 WeakPolarHBondContact O-CG 3.42Å; K923-E927 PolarHBondContact O-N 3.4Å
928	R	72.1	Confident	70.1	Confident	134 Å²	134	67.1 Å²	67.1	51%	0.506	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-0.4	171.1	-70.9	173.7	-175.7	-170.4	2.1	113.8	F878 N924 E925 R926	F878-R928 WeakPolarHBondContact CE2-O 3.22Å; F878-R928 VanDerWaalsContact CZ-O 3.28Å; F878-R928 WeakPolarHBondContact CZ-O 3.3Å; N924-R928 WeakPolarHBondContact O-CD 3.35Å; N924-R928 VanDerWaalsContact O-CG 3.32Å; N924-R928 WeakPolarHBondContact O-CG 3.33Å; E925-R928 WeakPolarHBondContact O-CB 3Å; E925-R928 PolarHBondContact O-N 2.74Å; R926-R928 PolarHBondContact O-N 2.81Å; R926-R928 VanDerWaalsContact O-N 3.15Å
929	E	74	Confident	69.3	Low	3 Å²	3	62 Å²	62	1%	0.014	30%	0.301	C	S	.	.			trans	-97.1	120.1	171.8	-179	178.4	177.2	0	0	110	R912 L916 R926 Q931 S932	R912-E929 IonicContact CZ-OE1 3.55Å; R912-E929 IonicContact NE-OE1 2.67Å; R912-E929 PolarHBondContact NE-OE1 3.33Å; R912-E929 IonicContact NH2-OE1 2.7Å; R912-E929 PolarHBondContact NH2-OE1 3.24Å; L916-E929 WeakPolarHBondContact CD2-OE2 3.47Å; R926-E929 PolarHBondContact O-N 2.79Å; E929-Q931 PolarHBondContact O-N 3.4Å; E929-S932 PolarHBondContact O-OG 3.21Å
930	I	71.5	Confident	68.5	Low	2 Å²	2	63.6 Å²	63.6	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-69.9	-33.4	-169.3	-155.6	167.5	0	0	0	113.9	W830 M839 L875 F878 S932 I933 T934	W830-I930 HydrophobicContact CH2-CG1 4.16Å; W830-I930 HydrophobicContact CH2-CG2 4Å; W830-I930 HydrophobicContact CZ3-CD1 4.02Å; W830-I930 HydrophobicContact CZ3-CG1 4.13Å; W830-I930 HydrophobicContact CZ3-CG2 4.39Å; M839-I930 HydrophobicContact CE-CB 3.88Å; M839-I930 HydrophobicContact CE-CD1 3.49Å; M839-I930 VanDerWaalsContact CE-CD1 3.49Å; M839-I930 HydrophobicContact CE-CG1 4.28Å; M839-I930 HydrophobicContact CE-CG2 3.63Å; M839-I930 HydrophobicContact SD-CD1 3.39Å; M839-I930 WeakPolarHBondContact SD-CD1 3.01Å; L875-I930 HydrophobicContact CD1-CD1 3.45Å; L875-I930 VanDerWaalsContact CD1-CD1 3.45Å; L875-I930 HydrophobicContact CD1-CG1 4.07Å; L875-I930 HydrophobicContact CG-CD1 4.2Å; F878-I930 HydrophobicContact CD1-CB 4.2Å; F878-I930 HydrophobicContact CD1-CD1 3.43Å; F878-I930 VanDerWaalsContact CD1-CD1 3.43Å; F878-I930 HydrophobicContact CD1-CG1 3.69Å; F878-I930 HydrophobicContact CE1-CB 3.56Å; F878-I930 HydrophobicContact CE1-CD1 3.49Å; F878-I930 VanDerWaalsContact CE1-CD1 3.49Å; F878-I930 HydrophobicContact CE1-CG1 3.59Å; F878-I930 HydrophobicContact CE2-CB 4.3Å; F878-I930 HydrophobicContact CE2-CG1 4.5Å; F878-I930 HydrophobicContact CG-CD1 4.31Å; F878-I930 HydrophobicContact CG-CG1 4.22Å; F878-I930 HydrophobicContact CZ-CB 3.6Å; F878-I930 HydrophobicContact CZ-CD1 4.39Å; F878-I930 HydrophobicContact CZ-CG1 4Å; I930-S932 PolarHBondContact O-N 3.13Å; I930-I933 PolarHBondContact O-N 2.92Å; I930-T934 PolarHBondContact O-N 3.07Å; I930-T934 PolarHBondContact O-OG1 2.99Å
931	Q	66.6	Low	67.2	Low	8 Å²	8	59.6 Å²	59.6	4%	0.037	30%	0.299	C	S	.	.	H	α-helix	trans	-64.4	-42.8	-175.8	-170	74.1	48	0	0	110.6	V832 E929 I933 T934 D935	V832-Q931 PolarHBondContact O-NE2 3.07Å; E929-Q931 PolarHBondContact O-N 3.4Å; Q931-I933 VanDerWaalsContact C-N 3.28Å; Q931-I933 PolarHBondContact O-N 3.28Å; Q931-T934 PolarHBondContact O-N 2.74Å; Q931-T934 PolarHBondContact O-OG1 3.16Å; Q931-D935 PolarHBondContact NE2-OD1 2.96Å; Q931-D935 WeakPolarHBondContact O-CB 3.49Å; Q931-D935 PolarHBondContact O-N 3.32Å
932	S	69.4	Low	65.8	Low	28 Å²	28	70.1 Å²	70.1	20%	0.196	34%	0.337	C	S	.	.	H	α-helix	trans	-59.7	-36	176.9	23.7	0	0	0	0	113.2	R926 E929 I930 E936	R926-S932 PolarHBondContact O-OG 3.05Å; E929-S932 PolarHBondContact O-OG 3.21Å; I930-S932 PolarHBondContact O-N 3.13Å; S932-E936 WeakPolarHBondContact O-CB 3.19Å; S932-E936 PolarHBondContact O-N 2.94Å
933	I	69.8	Low	64	Low	36 Å²	36	77.6 Å²	77.6	19%	0.185	36%	0.357	C	S	.	.	H	α-helix	trans	-67	-48.8	176.7	-65	166.2	0	0	0	110	D874 F878 I930 Q931 D935 E936 S937	D874-I933 HydrophobicContact CB-CG2 4.07Å; F878-I933 HydrophobicContact CB-CD1 4.46Å; F878-I933 HydrophobicContact CD2-CD1 3.2Å; F878-I933 HydrophobicContact CE2-CD1 3.6Å; F878-I933 HydrophobicContact CG-CD1 4.08Å; I930-I933 PolarHBondContact O-N 2.92Å; Q931-I933 VanDerWaalsContact C-N 3.28Å; Q931-I933 PolarHBondContact O-N 3.28Å; I933-D935 VanDerWaalsContact C-N 3.33Å; I933-D935 PolarHBondContact O-N 3.48Å; I933-E936 PolarHBondContact O-N 3.36Å; I933-S937 PolarHBondContact O-N 2.9Å; I933-S937 PolarHBondContact O-OG 2.85Å; I933-S937 VanDerWaalsContact O-OG 3.09Å
934	T	67.9	Low	62.2	Low	8 Å²	8	78.4 Å²	78.4	5%	0.049	36%	0.36	C	S	.	.	H	α-helix	trans	-66.6	-34.7	178.2	46.4	0	0	0	0	113.1	W830 M871 L875 I930 Q931 E936 S937 R938	W830-T934 HydrophobicContact CH2-CG2 3.29Å; W830-T934 WeakPolarHBondContact CH2-OG1 3.37Å; W830-T934 HydrophobicContact CZ2-CG2 4.18Å; W830-T934 WeakPolarHBondContact CZ2-OG1 3.41Å; W830-T934 HydrophobicContact CZ3-CG2 3.64Å; M871-T934 HydrophobicContact CG-CG2 4.49Å; L875-T934 HydrophobicContact CD1-CG2 4.4Å; I930-T934 PolarHBondContact O-N 3.07Å; I930-T934 PolarHBondContact O-OG1 2.99Å; Q931-T934 PolarHBondContact O-N 2.74Å; Q931-T934 PolarHBondContact O-OG1 3.16Å; T934-E936 VanDerWaalsContact C-N 3.28Å; T934-E936 PolarHBondContact O-N 2.87Å; T934-S937 PolarHBondContact O-N 3.16Å; T934-R938 WeakPolarHBondContact O-CB 3.26Å; T934-R938 WeakPolarHBondContact O-CG 3.12Å; T934-R938 PolarHBondContact O-N 3.02Å
935	D	69.8	Low	60	Low	42 Å²	42	80.2 Å²	80.2	23%	0.225	37%	0.37	C	S	.	.	H	α-helix	trans	-66.1	-34.5	176.2	-64.6	-10.4	0	0	0	110.5	M909 Q931 I933 G939	M909-D935 HydrophobicContact SD-CB 4.43Å; Q931-D935 PolarHBondContact NE2-OD1 2.96Å; Q931-D935 WeakPolarHBondContact O-CB 3.49Å; Q931-D935 PolarHBondContact O-N 3.32Å; I933-D935 VanDerWaalsContact C-N 3.33Å; I933-D935 PolarHBondContact O-N 3.48Å; D935-G939 PolarHBondContact O-N 2.94Å
936	E	67.5	Low	58.1	Low	149 Å²	149	83.3 Å²	83.3	70%	0.696	39%	0.394	S	S	*	.	H	α-helix	trans	-69.7	-48.9	172.4	-175.8	167.4	-162.9	0	0	112.6	S932 I933 T934 R938 G939 S940	S932-E936 WeakPolarHBondContact O-CB 3.19Å; S932-E936 PolarHBondContact O-N 2.94Å; I933-E936 PolarHBondContact O-N 3.36Å; T934-E936 VanDerWaalsContact C-N 3.28Å; T934-E936 PolarHBondContact O-N 2.87Å; E936-R938 PolarHBondContact O-N 3.4Å; E936-G939 PolarHBondContact O-N 3.32Å; E936-G939 VanDerWaalsContact O-N 3.1Å; E936-S940 PolarHBondContact O-N 3.26Å
937	S	61.8	Low	56.1	Low	14 Å²	14	82.3 Å²	82.3	10%	0.098	41%	0.411	C	S	.	.	H	α-helix	trans	-57.8	-38.5	177.7	-51.6	0	0	0	0	111.5	D874 I933 T934 S940	D874-S937 PolarHBondContact OD2-OG 2.9Å; I933-S937 PolarHBondContact O-N 2.9Å; I933-S937 PolarHBondContact O-OG 2.85Å; I933-S937 VanDerWaalsContact O-OG 3.09Å; T934-S937 PolarHBondContact O-N 3.16Å; S937-S940 PolarHBondContact O-OG 2.67Å
938	R	65.3	Low	54.1	Low	35 Å²	35	84.8 Å²	84.8	13%	0.132	43%	0.428	C	S	.	.	H	α-helix	trans	-75.7	-33.4	175.9	-62.4	178.8	96.5	133.7	0.2	113.1	V861 D866 M871 T934 E936 S940	V861-R938 PolarHBondContact O-NH1 2.95Å; D866-R938 WeakPolarHBondContact OD1-CB 3.38Å; D866-R938 VanDerWaalsContact OD1-CG 3.23Å; D866-R938 WeakPolarHBondContact OD1-CG 3.37Å; D866-R938 IonicContact OD1-NE 3.53Å; D866-R938 PolarHBondContact OD1-NE 2.93Å; D866-R938 IonicContact OD2-CZ 3.76Å; D866-R938 IonicContact OD2-NE 3.79Å; D866-R938 PolarHBondContact OD2-NE 2.85Å; D866-R938 IonicContact OD2-NH2 2.68Å; D866-R938 PolarHBondContact OD2-NH2 3.49Å; M871-R938 HydrophobicContact CE-CG 3.6Å; T934-R938 WeakPolarHBondContact O-CB 3.26Å; T934-R938 WeakPolarHBondContact O-CG 3.12Å; T934-R938 PolarHBondContact O-N 3.02Å; E936-R938 PolarHBondContact O-N 3.4Å; R938-S940 VanDerWaalsContact C-N 3.32Å; R938-S940 PolarHBondContact O-N 3.18Å
939	G	53.7	Low	52.3	Low	35 Å²	35	84.5 Å²	84.5	36%	0.361	44%	0.443	S	S	.	.	H	α-helix	trans	-72.2	-21.1	176.5	0	0	0	0	0	114.8	D935 E936 I941 R942	D935-G939 PolarHBondContact O-N 2.94Å; E936-G939 PolarHBondContact O-N 3.32Å; E936-G939 VanDerWaalsContact O-N 3.1Å; G939-I941 VanDerWaalsContact C-N 3.28Å; G939-I941 PolarHBondContact O-N 3.15Å; G939-R942 PolarHBondContact O-N 3.34Å
940	S	47.8	Very low	50.1	Low	63 Å²	63	95.6 Å²	95.6	44%	0.441	49%	0.485	S	S	.	.	H	α-helix	trans	-60.4	-27.7	-171.4	70.3	0	0	0	0	115.5	E936 S937 R938	E936-S940 PolarHBondContact O-N 3.26Å; S937-S940 PolarHBondContact O-OG 2.67Å; R938-S940 VanDerWaalsContact C-N 3.32Å; R938-S940 PolarHBondContact O-N 3.18Å
941	I	43	Very low	48.2	Very low	76 Å²	76	103.1 Å²	103.1	39%	0.39	52%	0.524	S	S	.	.	H	α-helix	trans	-87.7	-38.4	-178.4	-64.9	169.9	0	0	0	111.6	D865 N867 G939 R943 K944	D865-I941 VanDerWaalsContact O-CD1 3.27Å; D865-I941 WeakPolarHBondContact O-CD1 2.99Å; N867-I941 HydrophobicContact CB-CD1 4.26Å; G939-I941 VanDerWaalsContact C-N 3.28Å; G939-I941 PolarHBondContact O-N 3.15Å; I941-R943 PolarHBondContact O-N 3.44Å; I941-R943 VanDerWaalsContact O-N 3.09Å; I941-K944 PolarHBondContact O-N 2.84Å
942	R	40.9	Very low	46.3	Very low	231 Å²	231	114.9 Å²	114.9	87%	0.872	57%	0.569	S	S	*	*	H	α-helix	trans	-64.6	-20.1	-174.9	-152.8	176.1	-169.2	-176.6	5.1	113.6	G939	G939-R942 PolarHBondContact O-N 3.34Å
943	R	39.8	Very low	44.3	Very low	238 Å²	238	120.3 Å²	120.3	90%	0.898	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-7.7	172.3	-78.4	-175.7	172.8	171.2	-1.5	114.9	I941	I941-R943 PolarHBondContact O-N 3.44Å; I941-R943 VanDerWaalsContact O-N 3.09Å
944	K	34.9	Very low	42.2	Very low	170 Å²	170	124.9 Å²	124.9	74%	0.739	62%	0.619	S	S	*	*	S	Bend	trans	-99.5	2.1	-175.2	-84.3	-171.9	173.7	-178.4	0	115.8	I941 P946	I941-K944 PolarHBondContact O-N 2.84Å; K944-P946 WeakPolarHBondContact O-CD 3.44Å
945	N	28.7	Very low	40.3	Very low	146 Å²	146	130.6 Å²	130.6	78%	0.781	65%	0.654	S	S	*	*			trans	-104.5	84.1	173.1	-81.1	-1.9	0	0	0	112.2
946	P	33.9	Very low	39	Very low	115 Å²	115	134 Å²	134	75%	0.747	68%	0.679	S	S	*	*			trans	-75.8	130.9	154.9	32.5	-29.8	0	0	0	109.2	K944	K944-P946 WeakPolarHBondContact O-CD 3.44Å
947	A	29.8	Very low	37	Very low	97 Å²	97	136.3 Å²	136.3	80%	0.802	69%	0.689	S	S	*	*	S	Bend	trans	-71.6	138.5	172.8	0	0	0	0	0	111.2
948	N	27.8	Very low	35.3	Very low	150 Å²	150	144 Å²	144	80%	0.802	72%	0.724	S	S	*	*			trans	62.7	108.5	173.4	-79.5	-27.4	0	0	0	118.8
949	P	33.8	Very low	33.3	Very low	129 Å²	129	148.5 Å²	148.5	84%	0.838	76%	0.755	S	S	*	*			trans	-84.3	118	156.8	32.9	-28.3	0	0	0	110.5
950	R	28.6	Very low	31.9	Very low	235 Å²	235	150.9 Å²	150.9	89%	0.887	77%	0.772	S	S	*	*			trans	-112.9	103.7	161.3	-90.5	-171.7	172.4	176.5	-1.3	110.5
951	L	31	Very low	30.6	Very low	160 Å²	160	153.6 Å²	153.6	84%	0.838	79%	0.789	S	S	*	*			trans	28.6	114.6	147.7	-77.3	143.8	0	0	0	118.3
952	R	26.4	Very low	29.8	Very low	256 Å²	256	156.7 Å²	156.7	97%	0.966	81%	0.807	S	S	*	*				-154.4	160.3	115.6	-107.9	170.3	-166.7	-150.4	2.6	111.6
953	L	28.1	Very low	29	Very low	142 Å²	142	152.7 Å²	152.7	74%	0.743	80%	0.802	S	S	*	*			trans	-127.1	150.9	-161.4	-162.1	87.5	0	0	0	109.9
954	N	26.8	Very low	28.3	Very low	132 Å²	132	149.8 Å²	149.8	71%	0.706	80%	0.799	S	S	*	*			trans	71.6	120.6	170.6	-60.1	-15.7	0	0	0	116.6
955	V	27.6	Very low	28.1	Very low	128 Å²	128	150.6 Å²	150.6	78%	0.776	81%	0.805	S	S	*	*			cis	90.4	136	49.4	162.9	0	0	0	0	111.9
956	P	42.2	Very low	28	Very low	114 Å²	114	153.4 Å²	153.4	74%	0.74	81%	0.811	S	S	*	*			cis	-132.6	178.6	-33.3	39	-21.5	0	0	0	113
957	E	25.6	Very low	28.5	Very low	196 Å²	196	153.2 Å²	153.2	92%	0.916	81%	0.81	S	S	*	*			trans	-160.3	160.1	148.6	-125.9	164.5	-164.1	0	0	114.5
958	E	24.6	Very low	28.2	Very low	176 Å²	176	158 Å²	158	82%	0.822	82%	0.815	S	S	*	*			trans	-84.3	162.3	-153.7	-62.5	178.4	134.2	0	0	117.8
959	T	23.8	Very low	28.2	Very low	129 Å²	129	160 Å²	160	79%	0.791	82%	0.82	S	S	*	*			trans	2.6	142.7	150.5	57.4	0	0	0	0	119.5
960	A	24	Very low	27.8	Very low	86 Å²	86	161.6 Å²	161.6	71%	0.711	82%	0.816	S	S	*	*				179.7	162.7	59.9	0	0	0	0	0	114.4
961	C	21.7	Very low	27.6	Very low	120 Å²	120	155.4 Å²	155.4	81%	0.811	80%	0.804	S	S	*	*			trans	60.6	130.1	148.6	-64.9	0	0	0	0	124.3
962	D	25.7	Very low	27.3	Very low	141 Å²	141	155 Å²	155	75%	0.754	80%	0.798	S	S	*	*			trans	-35	147.7	151.3	-48.4	-64.7	0	0	0	116.4
963	N	24.5	Very low	27.2	Very low	146 Å²	146	149 Å²	149	78%	0.781	78%	0.784	S	S	*	*				-178.3	153	105.4	-101.6	-23.3	0	0	0	116.6
964	E	25.7	Very low	27.2	Very low	178 Å²	178	148.7 Å²	148.7	83%	0.832	78%	0.782	S	S	*	*			trans	62.8	130	146.5	-67.8	-175.7	148.8	0	0	123.6
965	E	29.3	Very low	27.1	Very low	186 Å²	186	150.3 Å²	150.3	87%	0.869	79%	0.785	S	S	*	*			trans	-76.7	143	159.3	-55.2	172.3	122.4	0	0	111
966	K	26.7	Very low	26.9	Very low	206 Å²	206	151 Å²	151	90%	0.896	78%	0.784	S	S	*	*				-170.2	161.6	123.3	-105.5	174.4	-178.5	177.3	0	113.2
967	P	44.9	Very low	26.1	Very low	111 Å²	111	154.1 Å²	154.1	72%	0.721	79%	0.789	S	S	*	*			trans	-105.7	166.5	-169.7	40.9	-34.7	0	0	0	114.1
968	E	24.6	Very low	26	Very low	196 Å²	196	150.3 Å²	150.3	92%	0.916	78%	0.784	S	S	*	*			trans	-141.6	153.4	166.7	-71.1	-164.2	151.7	0	0	114.3
969	E	26.4	Very low	26.2	Very low	193 Å²	193	146.9 Å²	146.9	90%	0.902	79%	0.786	S	S	*	*			trans	-144	146.9	-171.3	-68	-179.8	126.7	0	0	108.5
970	E	25.8	Very low	26.3	Very low	162 Å²	162	146.3 Å²	146.3	76%	0.757	79%	0.785	S	S	*	*			cis	-150.3	-134.1	-0.3	-161.1	-125	-105.7	0	0	108.5
971	V	24.6	Very low	26.3	Very low	106 Å²	106	147.6 Å²	147.6	64%	0.642	79%	0.788	S	S	*	*			trans	78.1	84.2	151.8	-158.7	0	0	0	0	120.4
972	Q	23.8	Very low	26.3	Very low	150 Å²	150	148 Å²	148	70%	0.701	79%	0.791	S	S	*	*				52.5	124.9	107.3	-144.6	-179.9	77.9	0	0	122
973	L	25.8	Very low	26.4	Very low	130 Å²	130	146.8 Å²	146.8	68%	0.681	79%	0.791	S	S	*	*				154.8	134.1	116.8	-81.3	170.9	0	0	0	115.9
974	I	26.7	Very low	26.4	Very low	137 Å²	137	145.8 Å²	145.8	70%	0.703	80%	0.795	S	S	*	*			trans	58.3	138.3	143.7	-58.2	169	0	0	0	118
975	H	24.3	Very low	26.3	Very low	165 Å²	165	142.6 Å²	142.6	76%	0.764	79%	0.793	S	S	*	*			cis	-135.5	175.4	2.7	-112.5	-30.3	0	0	0	106.1
976	D	23.7	Very low	26.2	Very low	142 Å²	142	139.2 Å²	139.2	76%	0.759	79%	0.789	S	S	*	*			cis	-165.5	168.8	38.9	-135.5	-29.6	0	0	0	112.1
977	Q	26.7	Very low	26.3	Very low	180 Å²	180	135.5 Å²	135.5	84%	0.841	79%	0.787	S	S	*	*			trans	-89.9	131.1	171.8	-70.4	178.7	-9.5	0	0	111.9
978	S	23.5	Very low	25.2	Very low	117 Å²	117	135.6 Å²	135.6	82%	0.818	79%	0.789	S	S	*	*			trans	-174.7	117.5	138.9	34.4	0	0	0	0	111.8
979	A	27.9	Very low	25.9	Very low	104 Å²	104	132.3 Å²	132.3	86%	0.86	79%	0.785	S	S	*	*			trans	-98.5	137.4	158.5	0	0	0	0	0	108.6
980	P	26.8	Very low	25.8	Very low	117 Å²	117	126.6 Å²	126.6	76%	0.76	78%	0.779	S	S	*	*			trans	-113.9	135.7	145.9	7.1	12.5	0	0	0	110.4
981	S	23.6	Very low	25.8	Very low	112 Å²	112	128.2 Å²	128.2	78%	0.783	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-54.6	134.4	169.2	48.3	0	0	0	0	112.8	P983	S981-P983 WeakPolarHBondContact O-CD 3.46Å
982	C	22.3	Very low	25.7	Very low	128 Å²	128	131.2 Å²	131.2	87%	0.865	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-72.2	125.6	163.9	-64.1	0	0	0	0	110.6
983	P	26.4	Very low	25.9	Very low	117 Å²	117	130.3 Å²	130.3	76%	0.76	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-84.4	147.7	163	31.9	-27	0	0	0	110.7	S981	S981-P983 WeakPolarHBondContact O-CD 3.46Å
984	S	25	Very low	25.8	Very low	124 Å²	124	132.7 Å²	132.7	87%	0.867	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-80.8	126.2	172.3	53.4	0	0	0	0	111.5
985	S	23.4	Very low	25.6	Very low	112 Å²	112	129.7 Å²	129.7	78%	0.783	81%	0.811	S	S	*	*			trans	-147.8	137.1	160.7	55.5	0	0	0	0	112.2
986	S	27.4	Very low	25.6	Very low	114 Å²	114	131.1 Å²	131.1	80%	0.797	82%	0.818	S	S	*	*			trans	-69.1	159.1	177	50.2	0	0	0	0	113.7
987	P	28.2	Very low	25.6	Very low	129 Å²	129	135.6 Å²	135.6	84%	0.838	82%	0.824	S	S	*	*			trans	-130.9	157.3	145.1	37.8	-26.8	0	0	0	114.7
988	S	22.1	Very low	25.6	Very low	112 Å²	112	136.4 Å²	136.4	78%	0.783	83%	0.828	S	S	*	*			trans	-160.3	164.7	167.1	59.8	0	0	0	0	107.3
989	P	40.4	Very low	25.6	Very low	127 Å²	127	137.2 Å²	137.2	83%	0.825	83%	0.828	S	S	*	*			cis	-130.6	-179.2	-19.2	38.2	-21.4	0	0	0	113.8
990	G	23.5	Very low	25.4	Very low	74 Å²	74	139.6 Å²	139.6	76%	0.763	83%	0.826	S	S	*	*			trans	91.4	148.3	168.5	0	0	0	0	0	114.9
991	E	25.5	Very low	25.4	Very low	195 Å²	195	139.4 Å²	139.4	91%	0.911	83%	0.825	S	S	*	*			cis	-141.8	162.5	-0.7	-68.3	176.7	124.5	0	0	109.6
992	E	23.1	Very low	25.5	Very low	170 Å²	170	143.3 Å²	143.3	79%	0.794	83%	0.831	S	S	*	*			trans	-82.3	167	172	-61.9	-177.9	155.5	0	0	111.6
993	P	28.3	Very low	26.2	Very low	130 Å²	130	141.8 Å²	141.8	84%	0.844	82%	0.817	S	S	*	*				-138	164.8	97.2	38	-26.6	0	0	0	116
994	E	23	Very low	26.5	Very low	180 Å²	180	143 Å²	143	84%	0.841	81%	0.812	S	S	*	*			trans	-67	161.1	-168.6	-58.6	159.3	139.9	0	0	115.8
995	G	23.2	Very low	27.7	Very low	75 Å²	75	139.4 Å²	139.4	77%	0.773	78%	0.784	S	S	*	*			trans	-170.9	77.8	172.3	0	0	0	0	0	112
996	E	24.3	Very low	29	Very low	194 Å²	194	136.6 Å²	136.6	91%	0.907	76%	0.762	S	S	*	*			trans	-59.1	133	-175.4	-62	177.3	133.4	0	0	113.6
997	R	23.2	Very low	30.1	Very low	237 Å²	237	133.1 Å²	133.1	89%	0.894	73%	0.731	S	S	*	*			trans	-141.9	120.9	150	-78	-166	175.4	174.7	-0.8	109.6
998	E	26.3	Very low	31	Very low	197 Å²	197	127.7 Å²	127.7	92%	0.921	70%	0.696	S	S	*	*			trans	-60.5	136.9	172.2	-62.5	173.8	124	0	0	110.8
999	T	23.9	Very low	31.8	Very low	134 Å²	134	130.4 Å²	130.4	82%	0.822	69%	0.693	S	S	*	*			trans	-137.1	137.5	165.2	44.1	0	0	0	0	109
1000	D	23.8	Very low	31.5	Very low	154 Å²	154	130.1 Å²	130.1	82%	0.824	69%	0.685	S	S	*	*			trans	-54.8	151.8	-173.4	-74.2	-63.1	0	0	0	114.2	E1002	D1000-E1002 PolarHBondContact O-N 3.16Å; D1000-E1002 VanDerWaalsContact O-N 3.11Å
1001	P	27.1	Very low	31.9	Very low	112 Å²	112	136 Å²	136	73%	0.727	69%	0.689	S	S	*	*			trans	-70.1	109.6	-175.2	28.1	-35.1	0	0	0	112.4	V1003	P1001-V1003 PolarHBondContact O-N 3.5Å
1002	E	25.9	Very low	32	Very low	194 Å²	194	132.1 Å²	132.1	91%	0.907	68%	0.684	S	S	*	*			trans	-67.1	114.4	174.2	-156.8	176	-153.5	0	0	110.7	D1000 H1004	D1000-E1002 PolarHBondContact O-N 3.16Å; D1000-E1002 VanDerWaalsContact O-N 3.11Å; E1002-H1004 PolarHBondContact O-N 2.9Å
1003	V	36.5	Very low	32.3	Very low	96 Å²	96	130.7 Å²	130.7	58%	0.582	69%	0.687	S	S	*	*			trans	-82.7	103	-170.6	-178.9	0	0	0	0	111.6	P1001 L1005	P1001-V1003 PolarHBondContact O-N 3.5Å; V1003-L1005 PolarHBondContact O-N 2.79Å
1004	H	33.2	Very low	32.4	Very low	142 Å²	142	129 Å²	129	66%	0.657	68%	0.683	S	S	*	*			trans	-69.3	120.8	-179.5	-151.8	-49.3	0	0	0	112.8	E1002	E1002-H1004 PolarHBondContact O-N 2.9Å
1005	L	49.2	Very low	33	Very low	50 Å²	50	129.1 Å²	129.1	26%	0.262	68%	0.684	S	S	.	*			trans	-96.6	115.3	-178.1	-70.6	168	0	0	0	112.5	V1003 R1048	V1003-L1005 PolarHBondContact O-N 2.79Å; L1005-R1048 PolarHBondContact O-NH2 3.43Å
1006	T	51.2	Low	33.2	Very low	53 Å²	53	134.8 Å²	134.8	33%	0.325	69%	0.687	S	S	.	*			trans	-115.7	162.4	178.6	59	0	0	0	0	112.4	T1008	T1006-T1008 VanDerWaalsContact C-N 3.33Å; T1006-T1008 PolarHBondContact OG1-O 2.79Å
1007	W	51	Low	33.4	Very low	41 Å²	41	132.4 Å²	132.4	16%	0.155	68%	0.68	C	S	.	*	S	Bend	trans	-84.6	-1.1	177.1	-75.2	103.4	0	0	0	114	R1048 P1077 Y1086	W1007-R1048 VanDerWaalsContact CD1-NH1 3.28Å; W1007-P1077 HydrophobicContact CB-CB 3.72Å; W1007-P1077 HydrophobicContact CD2-CB 3.85Å; W1007-P1077 HydrophobicContact CE3-CB 4.42Å; W1007-P1077 HydrophobicContact CG-CB 3.56Å; W1007-Y1086 AromaticContact CH2-CD2 3.91Å; W1007-Y1086 HydrophobicContact CH2-CD2 3.91Å; W1007-Y1086 HydrophobicContact CZ2-CD2 4.44Å; W1007-Y1086 HydrophobicContact CZ3-CD2 4.36Å
1008	T	45.6	Very low	33.9	Very low	15 Å²	15	131 Å²	131	9%	0.092	68%	0.681	C	S	.	*	S	Bend	trans	-135.8	168.5	-167	46.6	0	0	0	0	112.9	T1006 D1010 N1079 N1081	T1006-T1008 VanDerWaalsContact C-N 3.33Å; T1006-T1008 PolarHBondContact OG1-O 2.79Å; T1008-D1010 PolarHBondContact O-N 3.16Å; T1008-N1079 HydrophobicContact CG2-CB 3.51Å; T1008-N1079 PolarHBondContact OG1-ND2 3.45Å; T1008-N1081 HydrophobicContact CG2-CB 3.89Å
1009	K	40	Very low	34	Very low	168 Å²	168	124.9 Å²	124.9	73%	0.73	67%	0.671	S	S	*	*	S	Bend	trans	-78.3	-12.8	-163.7	-157.6	174.7	-179.8	-179.1	0	115.4
1010	D	33.6	Very low	34.7	Very low	122 Å²	122	125 Å²	125	65%	0.652	67%	0.674	S	S	*	*			trans	-94.2	132.3	-163.2	-55	-49.6	0	0	0	114.1	T1008	T1008-D1010 PolarHBondContact O-N 3.16Å
1011	K	31.6	Very low	34.7	Very low	197 Å²	197	123.1 Å²	123.1	86%	0.857	67%	0.673	S	S	*	*			trans	-70.2	144.8	165.4	-76.6	-178.6	174	179.9	0	110	V1013	K1011-V1013 PolarHBondContact O-N 3.49Å
1012	S	27	Very low	35.4	Very low	113 Å²	113	123.5 Å²	123.5	79%	0.79	68%	0.675	S	S	*	*			trans	-65	99.7	169.7	49.6	0	0	0	0	111.5	A1014	S1012-A1014 PolarHBondContact O-N 2.82Å
1013	V	30.5	Very low	35.4	Very low	141 Å²	141	120.5 Å²	120.5	86%	0.855	67%	0.67	S	S	*	*			trans	-83.3	87.8	162.2	-177.9	0	0	0	0	107.5	K1011	K1011-V1013 PolarHBondContact O-N 3.49Å
1014	A	29.8	Very low	34.9	Very low	93 Å²	93	121 Å²	121	77%	0.769	68%	0.678	S	S	*	*			trans	-128.8	33.3	177.5	0	0	0	0	0	111.7	S1012	S1012-A1014 PolarHBondContact O-N 2.82Å
1015	E	36.4	Very low	34.5	Very low	184 Å²	184	119 Å²	119	86%	0.86	68%	0.68	S	S	*	*	S	Bend	trans	-148.7	69.5	171.8	-149.8	179.1	-141.8	0	0	112.1
1016	K	27.8	Very low	33.4	Very low	194 Å²	194	125.5 Å²	125.5	84%	0.843	71%	0.709	S	S	*	*			trans	-170.4	153	145.6	-111.6	162.3	-173.6	172.3	0	113.5
1017	N	28.3	Very low	32.3	Very low	143 Å²	143	126.4 Å²	126.4	77%	0.765	73%	0.728	S	S	*	*			trans	84.4	86.3	164.1	-60.1	-2.6	0	0	0	117.8
1018	K	34.1	Very low	31.3	Very low	207 Å²	207	133 Å²	133	90%	0.9	77%	0.765	S	S	*	*				-27.2	151.3	121.5	-87.1	174.7	170.1	171.6	0	113
1019	G	28.2	Very low	30.7	Very low	70 Å²	70	139.8 Å²	139.8	72%	0.722	79%	0.793	S	S	*	*	S	Bend	trans	-61	177.8	-171.1	0	0	0	0	0	117.8
1020	P	38.1	Very low	30.1	Very low	135 Å²	135	139.1 Å²	139.1	88%	0.877	80%	0.797	S	S	*	*			trans	-92.1	151.1	-155.6	35.4	-36.6	0	0	0	115.2
1021	S	24.4	Very low	30	Very low	116 Å²	116	140.8 Å²	140.8	81%	0.811	80%	0.799	S	S	*	*			trans	-146.8	154	148.6	60.4	0	0	0	0	109.9
1022	P	40.3	Very low	29.9	Very low	119 Å²	119	140.9 Å²	140.9	77%	0.773	80%	0.8	S	S	*	*			trans	-102.3	162.8	-162.4	38.1	-34	0	0	0	114.1
1023	V	26.7	Very low	29.9	Very low	131 Å²	131	141.1 Å²	141.1	79%	0.794	80%	0.802	S	S	*	*				171.8	153.7	125.1	154.4	0	0	0	0	110
1024	S	25.1	Very low	30	Very low	106 Å²	106	143.9 Å²	143.9	74%	0.741	81%	0.808	S	S	*	*			trans	-58.1	174.1	177.1	58	0	0	0	0	114.5
1025	S	25.2	Very low	30	Very low	100 Å²	100	146.8 Å²	146.8	70%	0.699	80%	0.803	S	S	*	*			cis	-157.3	175.8	15.6	46.2	0	0	0	0	110.7
1026	E	27.1	Very low	30	Very low	188 Å²	188	142 Å²	142	88%	0.879	79%	0.788	S	S	*	*			trans	-0.3	133.7	148.3	-55.3	170.5	159.5	0	0	116.9
1027	G	28	Very low	30.1	Very low	71 Å²	71	139.9 Å²	139.9	73%	0.732	78%	0.781	S	S	*	*			cis	113.7	112.1	22.2	0	0	0	0	0	110.7
1028	I	29	Very low	30.6	Very low	181 Å²	181	142.3 Å²	142.3	93%	0.928	78%	0.78	S	S	*	*			trans	-159.2	153	161.8	-99.6	147.1	0	0	0	108.7
1029	K	33.3	Very low	30.5	Very low	157 Å²	157	139.5 Å²	139.5	68%	0.683	77%	0.77	S	S	*	*			trans	-83.1	160.6	-166.6	-61.5	164.6	175	172	0	113.6	F1031	K1029-F1031 HydrophobicContact CB-CD2 4.36Å; K1029-F1031 HydrophobicContact CD-CD2 4.2Å; K1029-F1031 HydrophobicContact CD-CE2 4.13Å
1030	D	28	Very low	30.9	Very low	153 Å²	153	142.8 Å²	142.8	82%	0.818	77%	0.771	S	S	*	*				-164.9	125.9	108.5	-85.2	-25	0	0	0	109
1031	F	30.5	Very low	30.8	Very low	158 Å²	158	142.8 Å²	142.8	69%	0.693	76%	0.762	S	S	*	*				55.6	75	70.2	-85.7	-83.7	0	0	0	114.5	K1029	K1029-F1031 HydrophobicContact CB-CD2 4.36Å; K1029-F1031 HydrophobicContact CD-CD2 4.2Å; K1029-F1031 HydrophobicContact CD-CE2 4.13Å
1032	F	31.2	Very low	32.2	Very low	199 Å²	199	140 Å²	140	87%	0.873	74%	0.739	S	S	*	*				171.4	106.7	121.6	-103.2	-77.4	0	0	0	111.9
1033	S	26.4	Very low	32.5	Very low	118 Å²	118	141.2 Å²	141.2	83%	0.825	73%	0.734	S	S	*	*			trans	-179.8	87.5	148.5	34.5	0	0	0	0	111.2	K1035	S1033-K1035 PolarHBondContact O-N 2.86Å
1034	M	32.3	Very low	33.7	Very low	199 Å²	199	136.4 Å²	136.4	98%	0.98	71%	0.706	S	S	*	*			trans	-74	110.3	162	-87.9	168.3	73.7	0	0	108.9
1035	K	29.5	Very low	35.2	Very low	154 Å²	154	132.6 Å²	132.6	67%	0.67	68%	0.678	S	S	*	*			trans	-97.1	146.4	157.9	-97.7	-173.9	153.8	-148.6	0	109	S1033 E1039	S1033-K1035 PolarHBondContact O-N 2.86Å; K1035-E1039 IonicContact NZ-OE1 2.67Å; K1035-E1039 IonicContact NZ-OE2 2.7Å; K1035-E1039 PolarHBondContact NZ-OE2 2.85Å
1036	P	35.7	Very low	36.8	Very low	84 Å²	84	131.7 Å²	131.7	55%	0.545	67%	0.668	S	S	.	*			trans	-70.9	149	-177.3	29.5	-34.8	0	0	0	112.4	W1038	P1036-W1038 HydrophobicContact CB-CG 4.45Å; P1036-W1038 PolarHBondContact O-N 2.97Å
1037	E	31.2	Very low	38.3	Very low	149 Å²	149	128.8 Å²	128.8	70%	0.696	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-69.7	1	-168.1	-61.1	179.6	119.1	0	0	115.5	E1039 N1040	E1037-E1039 PolarHBondContact O-N 3.5Å; E1037-N1040 PolarHBondContact O-N 3.4Å
1038	W	37.8	Very low	40	Very low	194 Å²	194	126 Å²	126	74%	0.735	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-75.9	-20.7	-168.2	-39.8	148.4	0	0	0	113.7	P1036 N1040	P1036-W1038 HydrophobicContact CB-CG 4.45Å; P1036-W1038 PolarHBondContact O-N 2.97Å; W1038-N1040 PolarHBondContact O-N 2.84Å
1039	E	31.9	Very low	41.8	Very low	147 Å²	147	122.2 Å²	122.2	69%	0.687	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-74.3	-4.8	178.6	-63.9	-172.3	127.8	0	0	113.4	K1035 E1037	K1035-E1039 IonicContact NZ-OE1 2.67Å; K1035-E1039 IonicContact NZ-OE2 2.7Å; K1035-E1039 PolarHBondContact NZ-OE2 2.85Å; E1037-E1039 PolarHBondContact O-N 3.5Å
1040	N	37.3	Very low	43.7	Very low	140 Å²	140	119.4 Å²	119.4	75%	0.749	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-101.8	13.3	-172.7	-81	-33.8	0	0	0	116.1	E1037 W1038 N1042	E1037-N1040 PolarHBondContact O-N 3.4Å; W1038-N1040 PolarHBondContact O-N 2.84Å; N1040-N1042 PolarHBondContact O-N 3.19Å
1041	L	35.5	Very low	46	Very low	134 Å²	134	112.4 Å²	112.4	70%	0.702	55%	0.547	S	S	*	.	S	Bend	trans	-86.5	87	-179.3	-97.3	156.2	0	0	0	113.9	Q1043	L1041-Q1043 PolarHBondContact O-N 3.46Å
1042	N	53.2	Low	48.4	Very low	58 Å²	58	104.9 Å²	104.9	31%	0.31	51%	0.514	S	S	.	.			trans	11.9	84.7	156.9	-62.2	-30.5	0	0	0	118.8	N1040 S1044 N1045 V1046	N1040-N1042 PolarHBondContact O-N 3.19Å; N1042-S1044 VanDerWaalsContact C-N 3.29Å; N1042-S1044 PolarHBondContact O-N 2.68Å; N1042-N1045 HydrophobicContact CB-CB 4.16Å; N1042-V1046 VanDerWaalsContact O-CG2 3.29Å; N1042-V1046 WeakPolarHBondContact O-CG2 3.18Å; N1042-V1046 PolarHBondContact O-N 3.46Å
1043	Q	47.1	Very low	51	Low	145 Å²	145	98.2 Å²	98.2	68%	0.678	49%	0.49	S	S	*	.	H	α-helix	trans	-58.5	-32.2	175.1	-71.6	-174.4	-4.3	0	0	114.7	L1041 R1047	L1041-Q1043 PolarHBondContact O-N 3.46Å; Q1043-R1047 WeakPolarHBondContact O-CB 3.37Å; Q1043-R1047 WeakPolarHBondContact O-CG 3.49Å; Q1043-R1047 PolarHBondContact O-N 3.01Å; Q1043-R1047 VanDerWaalsContact O-N 3.12Å
1044	S	52	Low	53.8	Low	29 Å²	29	97.6 Å²	97.6	20%	0.203	47%	0.469	C	S	.	.	H	α-helix	trans	-72	-47.5	-178.1	51.1	0	0	0	0	113.4	N1042 R1047 R1048	N1042-S1044 VanDerWaalsContact C-N 3.29Å; N1042-S1044 PolarHBondContact O-N 2.68Å; S1044-R1047 PolarHBondContact O-N 3.21Å; S1044-R1048 PolarHBondContact O-N 3.32Å; S1044-R1048 VanDerWaalsContact O-N 3.15Å
1045	N	56.6	Low	56.3	Low	27 Å²	27	88.1 Å²	88.1	14%	0.144	42%	0.423	C	S	.	.	H	α-helix	trans	-67.4	-41	177.9	-70.9	-20.8	0	0	0	111.2	N1042 R1047 R1048 M1049	N1042-N1045 HydrophobicContact CB-CB 4.16Å; N1045-R1047 VanDerWaalsContact C-N 3.33Å; N1045-R1047 PolarHBondContact O-N 3.09Å; N1045-R1048 PolarHBondContact O-N 3.4Å; N1045-M1049 PolarHBondContact O-N 3.13Å
1046	V	58.8	Low	59.2	Low	81 Å²	81	81.5 Å²	81.5	49%	0.491	40%	0.395	S	S	.	.	H	α-helix	trans	-60.2	-42.7	175.2	173.6	0	0	0	0	111	N1042 R1048 M1049 H1050	N1042-V1046 VanDerWaalsContact O-CG2 3.29Å; N1042-V1046 WeakPolarHBondContact O-CG2 3.18Å; N1042-V1046 PolarHBondContact O-N 3.46Å; V1046-R1048 PolarHBondContact O-N 3.42Å; V1046-M1049 PolarHBondContact O-N 3.02Å; V1046-H1050 VanDerWaalsContact O-CB 3.27Å; V1046-H1050 WeakPolarHBondContact O-CB 3.46Å; V1046-H1050 PolarHBondContact O-N 3.03Å
1047	R	59	Low	61.8	Low	126 Å²	126	82.7 Å²	82.7	48%	0.475	39%	0.393	S	S	.	.	H	α-helix	trans	-61	-42.4	175.3	-77.7	172.8	-174.1	-168.9	3.7	112.7	Q1043 S1044 N1045 H1050 T1051	Q1043-R1047 WeakPolarHBondContact O-CB 3.37Å; Q1043-R1047 WeakPolarHBondContact O-CG 3.49Å; Q1043-R1047 PolarHBondContact O-N 3.01Å; Q1043-R1047 VanDerWaalsContact O-N 3.12Å; S1044-R1047 PolarHBondContact O-N 3.21Å; N1045-R1047 VanDerWaalsContact C-N 3.33Å; N1045-R1047 PolarHBondContact O-N 3.09Å; R1047-H1050 PolarHBondContact O-N 3.23Å; R1047-T1051 WeakPolarHBondContact O-CB 3.44Å; R1047-T1051 PolarHBondContact O-N 3.44Å; R1047-T1051 PolarHBondContact O-OG1 3.33Å
1048	R	63.2	Low	64.7	Low	13 Å²	13	77.6 Å²	77.6	5%	0.049	37%	0.372	C	S	.	.	H	α-helix	trans	-71.4	-32.5	178	-73.2	-175.2	175.7	-179.7	1	113.6	L1005 W1007 S1044 N1045 V1046 T1051 A1052	L1005-R1048 PolarHBondContact O-NH2 3.43Å; W1007-R1048 VanDerWaalsContact CD1-NH1 3.28Å; S1044-R1048 PolarHBondContact O-N 3.32Å; S1044-R1048 VanDerWaalsContact O-N 3.15Å; N1045-R1048 PolarHBondContact O-N 3.4Å; V1046-R1048 PolarHBondContact O-N 3.42Å; R1048-T1051 VanDerWaalsContact O-CB 3.3Å; R1048-T1051 WeakPolarHBondContact O-CB 3.36Å; R1048-T1051 PolarHBondContact O-N 2.86Å; R1048-A1052 PolarHBondContact O-N 3.33Å; R1048-A1052 VanDerWaalsContact O-N 3.08Å
1049	M	68.3	Low	67.2	Low	102 Å²	102	68.3 Å²	68.3	50%	0.502	34%	0.337	S	S	.	.	H	α-helix	trans	-71.1	-40.5	173.5	-153.9	157	78.7	0	0	110.9	N1045 V1046 T1051 A1052 V1053	N1045-M1049 PolarHBondContact O-N 3.13Å; V1046-M1049 PolarHBondContact O-N 3.02Å; M1049-T1051 VanDerWaalsContact C-N 3.3Å; M1049-T1051 PolarHBondContact O-N 2.88Å; M1049-A1052 WeakPolarHBondContact O-CB 3.41Å; M1049-A1052 PolarHBondContact O-N 2.94Å; M1049-A1052 VanDerWaalsContact O-N 3.16Å; M1049-V1053 WeakPolarHBondContact O-CG2 3.29Å; M1049-V1053 PolarHBondContact O-N 3.44Å
1050	H	72.8	Confident	70.2	Confident	97 Å²	97	62 Å²	62	45%	0.449	31%	0.308	S	S	.	.	H	α-helix	trans	-62	-34.7	171.3	-177.9	-87.9	0	0	0	112.9	V1046 R1047 R1054	V1046-H1050 VanDerWaalsContact O-CB 3.27Å; V1046-H1050 WeakPolarHBondContact O-CB 3.46Å; V1046-H1050 PolarHBondContact O-N 3.03Å; R1047-H1050 PolarHBondContact O-N 3.23Å; H1050-R1054 PolarHBondContact CE1-NE 2.99Å; H1050-R1054 VanDerWaalsContact CE1-NE 3.26Å; H1050-R1054 PolarHBondContact O-N 3.38Å; H1050-R1054 VanDerWaalsContact O-N 3.1Å
1051	T	76.1	Confident	72.8	Confident	6 Å²	6	61.9 Å²	61.9	4%	0.037	31%	0.308	C	S	.	.	H	α-helix	trans	-59.7	-50.2	170.1	-57.8	0	0	0	0	110.8	S896 D897 R1047 R1048 M1049 V1053 R1054 L1055	S896-T1051 PolarHBondContact O-OG1 2.98Å; S896-T1051 VanDerWaalsContact O-OG1 3.11Å; D897-T1051 VanDerWaalsContact C-CG2 3.42Å; D897-T1051 VanDerWaalsContact O-CG2 3.26Å; D897-T1051 WeakPolarHBondContact O-CG2 3.47Å; R1047-T1051 WeakPolarHBondContact O-CB 3.44Å; R1047-T1051 PolarHBondContact O-N 3.44Å; R1047-T1051 PolarHBondContact O-OG1 3.33Å; R1048-T1051 VanDerWaalsContact O-CB 3.3Å; R1048-T1051 WeakPolarHBondContact O-CB 3.36Å; R1048-T1051 PolarHBondContact O-N 2.86Å; M1049-T1051 VanDerWaalsContact C-N 3.3Å; M1049-T1051 PolarHBondContact O-N 2.88Å; T1051-V1053 PolarHBondContact O-N 3.06Å; T1051-R1054 PolarHBondContact O-N 3.19Å; T1051-L1055 WeakPolarHBondContact O-CB 3.45Å; T1051-L1055 PolarHBondContact O-N 3.46Å
1052	A	80	Confident	75.5	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61	-42.7	178.8	0	0	0	0	0	112.5	R1048 M1049 L1055 N1056 F1089 V1092	R1048-A1052 PolarHBondContact O-N 3.33Å; R1048-A1052 VanDerWaalsContact O-N 3.08Å; M1049-A1052 WeakPolarHBondContact O-CB 3.41Å; M1049-A1052 PolarHBondContact O-N 2.94Å; M1049-A1052 VanDerWaalsContact O-N 3.16Å; A1052-L1055 PolarHBondContact O-N 3.14Å; A1052-N1056 WeakPolarHBondContact O-CB 3.25Å; A1052-N1056 PolarHBondContact O-N 3.28Å; A1052-F1089 HydrophobicContact CB-CD2 3.7Å; A1052-F1089 HydrophobicContact CB-CE2 3.69Å; A1052-F1089 HydrophobicContact CB-CG 4.28Å; A1052-F1089 HydrophobicContact CB-CZ 4.25Å; A1052-V1092 HydrophobicContact CB-CB 4.4Å; A1052-V1092 HydrophobicContact CB-CG1 3.96Å
1053	V	85.6	Confident	77.4	Confident	59 Å²	59	56 Å²	56	36%	0.358	27%	0.274	S	S	.	.	H	α-helix	trans	-59.8	-53.1	177.3	172.5	0	0	0	0	111	M1049 T1051 L1055 N1056 E1057 V1092	M1049-V1053 WeakPolarHBondContact O-CG2 3.29Å; M1049-V1053 PolarHBondContact O-N 3.44Å; T1051-V1053 PolarHBondContact O-N 3.06Å; V1053-L1055 VanDerWaalsContact C-N 3.33Å; V1053-L1055 PolarHBondContact O-N 3.12Å; V1053-N1056 PolarHBondContact O-N 2.89Å; V1053-E1057 HydrophobicContact CG1-CG 4.44Å; V1053-E1057 WeakPolarHBondContact O-CG 3.38Å; V1053-E1057 PolarHBondContact O-N 2.9Å; V1053-V1092 HydrophobicContact CG2-CG1 3.67Å
1054	R	85.3	Confident	79.5	Confident	105 Å²	105	56.7 Å²	56.7	40%	0.396	27%	0.27	S	S	.	.	H	α-helix	trans	-59.8	-42	178.9	-78.4	-170	171.9	-171.2	-1.5	113.1	D897 H1050 T1051 E1057 V1058	D897-R1054 IonicContact OD1-NH1 2.72Å; D897-R1054 WeakPolarHBondContact OD2-CD 3.42Å; D897-R1054 IonicContact OD2-CZ 3.85Å; D897-R1054 IonicContact OD2-NE 2.74Å; D897-R1054 IonicContact OD2-NH1 3.7Å; D897-R1054 PolarHBondContact OD2-NH1 3.46Å; H1050-R1054 PolarHBondContact CE1-NE 2.99Å; H1050-R1054 VanDerWaalsContact CE1-NE 3.26Å; H1050-R1054 PolarHBondContact O-N 3.38Å; H1050-R1054 VanDerWaalsContact O-N 3.1Å; T1051-R1054 PolarHBondContact O-N 3.19Å; R1054-E1057 PolarHBondContact O-N 3.35Å; R1054-V1058 WeakPolarHBondContact O-CG2 3.32Å; R1054-V1058 PolarHBondContact O-N 3.48Å
1055	L	86.3	Confident	81.3	Confident	0 Å²	0	62 Å²	62	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-65.1	-41.2	177.8	-176.7	60	0	0	0	110.9	I831 M893 Y901 T1051 A1052 V1053 V1058 I1059 L1093	I831-L1055 HydrophobicContact CD1-CD1 4.41Å; I831-L1055 HydrophobicContact CD1-CD2 4.01Å; M893-L1055 HydrophobicContact CE-CB 4.48Å; M893-L1055 HydrophobicContact CE-CD1 4Å; M893-L1055 HydrophobicContact SD-CD1 3.75Å; Y901-L1055 HydrophobicContact CE2-CD2 3.9Å; T1051-L1055 WeakPolarHBondContact O-CB 3.45Å; T1051-L1055 PolarHBondContact O-N 3.46Å; A1052-L1055 PolarHBondContact O-N 3.14Å; V1053-L1055 VanDerWaalsContact C-N 3.33Å; V1053-L1055 PolarHBondContact O-N 3.12Å; L1055-V1058 PolarHBondContact O-N 3.47Å; L1055-I1059 HydrophobicContact CD1-CD1 4.32Å; L1055-I1059 HydrophobicContact CG-CD1 4.03Å; L1055-I1059 WeakPolarHBondContact O-CD1 3.38Å; L1055-I1059 VanDerWaalsContact O-CG1 3.26Å; L1055-I1059 WeakPolarHBondContact O-CG1 3.13Å; L1055-I1059 PolarHBondContact O-N 2.9Å; L1055-L1093 HydrophobicContact CB-CD1 4.19Å; L1055-L1093 HydrophobicContact CD2-CD1 3.59Å; L1055-L1093 HydrophobicContact CG-CD1 3.74Å
1056	N	90.7	Very high	83	Confident	15 Å²	15	61 Å²	61	8%	0.08	29%	0.292	C	S	.	.	H	α-helix	trans	-67.4	-41.1	175.7	-166.8	32.5	0	0	0	112.7	A1052 V1053 V1058 I1059 V1060 V1092 L1093 E1095	A1052-N1056 WeakPolarHBondContact O-CB 3.25Å; A1052-N1056 PolarHBondContact O-N 3.28Å; V1053-N1056 PolarHBondContact O-N 2.89Å; N1056-V1058 VanDerWaalsContact C-N 3.26Å; N1056-V1058 PolarHBondContact O-N 3.07Å; N1056-I1059 PolarHBondContact O-N 2.87Å; N1056-I1059 VanDerWaalsContact O-N 3.12Å; N1056-V1060 WeakPolarHBondContact O-CB 3.35Å; N1056-V1060 WeakPolarHBondContact O-CG2 3.47Å; N1056-V1060 PolarHBondContact O-N 3.16Å; N1056-V1060 WeakPolarHBondContact OD1-CG2 3.48Å; N1056-V1092 WeakPolarHBondContact CB-O 3.48Å; N1056-V1092 VanDerWaalsContact CG-O 3.28Å; N1056-V1092 PolarHBondContact ND2-O 3.04Å; N1056-L1093 PolarHBondContact OD1-O 3.15Å; N1056-E1095 PolarHBondContact ND2-O 3.1Å
1057	E	89.8	Confident	84.6	Confident	109 Å²	109	60.4 Å²	60.4	51%	0.509	28%	0.283	S	S	.	.	H	α-helix	trans	-53.5	-45	174.4	-75.8	173.3	178.6	0	0	111.3	V1053 R1054 N1061	V1053-E1057 HydrophobicContact CG1-CG 4.44Å; V1053-E1057 WeakPolarHBondContact O-CG 3.38Å; V1053-E1057 PolarHBondContact O-N 2.9Å; R1054-E1057 PolarHBondContact O-N 3.35Å; E1057-N1061 VanDerWaalsContact O-CB 3.23Å; E1057-N1061 WeakPolarHBondContact O-CB 3.32Å; E1057-N1061 PolarHBondContact O-N 2.86Å; E1057-N1061 PolarHBondContact O-ND2 3.18Å
1058	V	90.9	Very high	86.3	Confident	42 Å²	42	54.4 Å²	54.4	26%	0.255	26%	0.26	S	S	.	.	H	α-helix	trans	-67.3	-40.5	177.4	173.3	0	0	0	0	112.1	W829 V891 R1054 L1055 N1056	W829-V1058 HydrophobicContact CH2-CG1 3.85Å; W829-V1058 HydrophobicContact CZ3-CG1 4.17Å; V891-V1058 HydrophobicContact CG1-CG1 3.95Å; R1054-V1058 WeakPolarHBondContact O-CG2 3.32Å; R1054-V1058 PolarHBondContact O-N 3.48Å; L1055-V1058 PolarHBondContact O-N 3.47Å; N1056-V1058 VanDerWaalsContact C-N 3.26Å; N1056-V1058 PolarHBondContact O-N 3.07Å
1059	I	92.1	Very high	87.9	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.6	-52.2	177.2	-67.5	164.5	0	0	0	110.7	W829 L1055 N1056 N1061 K1062 S1063 V1069 L1093 L1097	W829-I1059 HydrophobicContact CD2-CG1 3.79Å; W829-I1059 HydrophobicContact CE3-CG1 4Å; W829-I1059 HydrophobicContact CG-CG1 4.29Å; W829-I1059 HydrophobicContact CH2-CG1 4.29Å; W829-I1059 HydrophobicContact CZ2-CB 4.34Å; W829-I1059 HydrophobicContact CZ2-CG1 4.09Å; W829-I1059 HydrophobicContact CZ3-CG1 4.24Å; L1055-I1059 HydrophobicContact CD1-CD1 4.32Å; L1055-I1059 HydrophobicContact CG-CD1 4.03Å; L1055-I1059 WeakPolarHBondContact O-CD1 3.38Å; L1055-I1059 VanDerWaalsContact O-CG1 3.26Å; L1055-I1059 WeakPolarHBondContact O-CG1 3.13Å; L1055-I1059 PolarHBondContact O-N 2.9Å; N1056-I1059 PolarHBondContact O-N 2.87Å; N1056-I1059 VanDerWaalsContact O-N 3.12Å; I1059-N1061 VanDerWaalsContact C-N 3.34Å; I1059-N1061 PolarHBondContact O-N 3.42Å; I1059-K1062 PolarHBondContact O-N 2.97Å; I1059-K1062 VanDerWaalsContact O-N 3.16Å; I1059-S1063 VanDerWaalsContact O-CB 3.31Å; I1059-S1063 WeakPolarHBondContact O-CB 3.34Å; I1059-S1063 PolarHBondContact O-N 3.48Å; I1059-V1069 HydrophobicContact CG2-CG1 4.43Å; I1059-L1093 HydrophobicContact CD1-CD1 3.99Å; I1059-L1097 HydrophobicContact CG2-CD1 3.83Å; I1059-L1097 HydrophobicContact CG2-CD2 4.38Å
1060	V	93.2	Very high	89.1	Confident	15 Å²	15	49.1 Å²	49.1	9%	0.091	24%	0.235	C	C	.	.	H	α-helix	trans	-59.7	-44.2	-179.7	172.9	0	0	0	0	110.7	N1056 K1062 S1063 R1064 Q1096 L1097	N1056-V1060 WeakPolarHBondContact O-CB 3.35Å; N1056-V1060 WeakPolarHBondContact O-CG2 3.47Å; N1056-V1060 PolarHBondContact O-N 3.16Å; N1056-V1060 WeakPolarHBondContact OD1-CG2 3.48Å; V1060-K1062 PolarHBondContact O-N 3.09Å; V1060-S1063 PolarHBondContact O-N 3.47Å; V1060-R1064 HydrophobicContact CG1-CB 4.27Å; V1060-R1064 VanDerWaalsContact O-CB 3.25Å; V1060-R1064 WeakPolarHBondContact O-CB 3.34Å; V1060-R1064 PolarHBondContact O-N 3.46Å; V1060-R1064 VanDerWaalsContact O-N 3.08Å; V1060-Q1096 HydrophobicContact CG2-CB 4.31Å; V1060-L1097 HydrophobicContact CG2-CD2 3.97Å; V1060-L1097 HydrophobicContact CG2-CG 4.35Å
1061	N	93.3	Very high	90.1	Very high	137 Å²	137	44.5 Å²	44.5	73%	0.733	21%	0.213	S	C	*	.	H	α-helix	trans	-57.9	-23.3	179.2	-79.4	-27.9	0	0	0	114.3	E1057 I1059	E1057-N1061 VanDerWaalsContact O-CB 3.23Å; E1057-N1061 WeakPolarHBondContact O-CB 3.32Å; E1057-N1061 PolarHBondContact O-N 2.86Å; E1057-N1061 PolarHBondContact O-ND2 3.18Å; I1059-N1061 VanDerWaalsContact C-N 3.34Å; I1059-N1061 PolarHBondContact O-N 3.42Å
1062	K	91.7	Very high	90.8	Very high	68 Å²	68	44.3 Å²	44.3	30%	0.296	21%	0.212	S	C	.	.	H	α-helix	trans	-111.3	-27.2	179.7	-66.2	-168.3	172.5	-166.3	0	114.8	W829 R857 F859 E889 I1059 V1060	W829-K1062 HydrophobicContact CH2-CD 4.26Å; W829-K1062 HydrophobicContact CZ2-CB 4.14Å; W829-K1062 HydrophobicContact CZ2-CD 4.39Å; R857-K1062 PolarHBondContact NH2-O 3.31Å; F859-K1062 HydrophobicContact CD1-CD 4.15Å; F859-K1062 HydrophobicContact CE1-CB 4.4Å; F859-K1062 HydrophobicContact CE1-CD 3.89Å; F859-K1062 HydrophobicContact CZ-CB 4.43Å; E889-K1062 IonicContact OE1-NZ 3.46Å; E889-K1062 PolarHBondContact OE1-NZ 2.93Å; E889-K1062 IonicContact OE2-NZ 3.15Å; E889-K1062 PolarHBondContact OE2-NZ 3.37Å; I1059-K1062 PolarHBondContact O-N 2.97Å; I1059-K1062 VanDerWaalsContact O-N 3.16Å; V1060-K1062 PolarHBondContact O-N 3.09Å
1063	S	93.6	Very high	91.2	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.007	21%	0.214	C	C	.	.	H	α-helix	trans	-120	4.6	-167.7	-64.1	0	0	0	0	114.8	D827 W829 I1059 V1060 D1065 A1066	D827-S1063 WeakPolarHBondContact OD2-CA 3.46Å; D827-S1063 VanDerWaalsContact OD2-CB 3.22Å; D827-S1063 WeakPolarHBondContact OD2-CB 3.39Å; D827-S1063 PolarHBondContact OD2-OG 3.14Å; W829-S1063 PolarHBondContact NE1-OG 2.91Å; I1059-S1063 VanDerWaalsContact O-CB 3.31Å; I1059-S1063 WeakPolarHBondContact O-CB 3.34Å; I1059-S1063 PolarHBondContact O-N 3.48Å; V1060-S1063 PolarHBondContact O-N 3.47Å; S1063-D1065 VanDerWaalsContact C-N 3.31Å; S1063-D1065 PolarHBondContact O-N 3Å; S1063-A1066 WeakPolarHBondContact O-CB 3.32Å; S1063-A1066 PolarHBondContact O-N 3.49Å
1064	R	90.1	Very high	91.3	Very high	158 Å²	158	42 Å²	42	60%	0.596	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-43.9	177.8	-176.9	176	-175.4	176.3	2.7	114	V1060 A1066	V1060-R1064 HydrophobicContact CG1-CB 4.27Å; V1060-R1064 VanDerWaalsContact O-CB 3.25Å; V1060-R1064 WeakPolarHBondContact O-CB 3.34Å; V1060-R1064 PolarHBondContact O-N 3.46Å; V1060-R1064 VanDerWaalsContact O-N 3.08Å; R1064-A1066 VanDerWaalsContact C-N 3.33Å
1065	D	89.4	Confident	91.1	Very high	142 Å²	142	37.1 Å²	37.1	76%	0.759	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	1.3	-178.3	-61	-40.8	0	0	0	113.9	S1063	S1063-D1065 VanDerWaalsContact C-N 3.31Å; S1063-D1065 PolarHBondContact O-N 3Å
1066	A	92.3	Very high	91	Very high	5 Å²	5	38 Å²	38	4%	0.041	19%	0.185	C	C	.	.			trans	-66.5	146	-178.5	0	0	0	0	0	111.4	D827 S1063 R1064 V1069	D827-A1066 HydrophobicContact CB-CB 4.1Å; D827-A1066 WeakPolarHBondContact OD2-CB 3.46Å; S1063-A1066 WeakPolarHBondContact O-CB 3.32Å; S1063-A1066 PolarHBondContact O-N 3.49Å; R1064-A1066 VanDerWaalsContact C-N 3.33Å; A1066-V1069 HydrophobicContact CB-CG2 4.1Å
1067	K	93.1	Very high	90.5	Very high	69 Å²	69	37.3 Å²	37.3	30%	0.3	18%	0.182	S	C	.	.	S	Bend	trans	-79.5	-23.2	178.9	-59.5	-53.3	-179.3	-155.7	0	112.5	F821 S825 W851 R1099	F821-K1067 HydrophobicContact CD1-CD 4.41Å; F821-K1067 HydrophobicContact CD1-CG 4.44Å; F821-K1067 HydrophobicContact CE1-CD 4.38Å; F821-K1067 HydrophobicContact CE2-CB 4.47Å; S825-K1067 PolarHBondContact O-N 3.21Å; W851-K1067 HydrophobicContact CZ3-CB 4.09Å; K1067-R1099 WeakPolarHBondContact O-CD 3.19Å; K1067-R1099 PolarHBondContact O-NE 3.27Å
1068	L	94.9	Very high	89.7	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	132.8	171.9	-179.9	65.1	0	0	0	109	F814 I826 D827 L845 W851 L1070 R1099 M1101	F814-L1068 HydrophobicContact CE1-CD1 3.85Å; F814-L1068 HydrophobicContact CZ-CD1 3.73Å; I826-L1068 WeakPolarHBondContact CA-O 3.38Å; I826-L1068 HydrophobicContact CG1-CB 4.46Å; I826-L1068 HydrophobicContact CG2-CB 4.33Å; I826-L1068 HydrophobicContact CG2-CD2 4.33Å; D827-L1068 PolarHBondContact N-O 3.3Å; L845-L1068 HydrophobicContact CD2-CD2 3.51Å; W851-L1068 HydrophobicContact CH2-CB 3.85Å; W851-L1068 HydrophobicContact CH2-CD2 4.23Å; W851-L1068 HydrophobicContact CH2-CG 4.5Å; W851-L1068 HydrophobicContact CZ3-CB 3.71Å; W851-L1068 HydrophobicContact CZ3-CD2 4.39Å; L1068-L1070 HydrophobicContact CD2-CD1 3.8Å; L1068-L1070 HydrophobicContact CG-CD1 3.86Å; L1068-R1099 HydrophobicContact CD1-CB 4.16Å; L1068-M1101 HydrophobicContact CD1-CB 4.34Å
1069	V	95.8	Very high	89	Confident	3 Å²	3	45.5 Å²	45.5	2%	0.018	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	124	171.7	-171.9	0	0	0	0	108.9	D827 I1059 A1066 L1071 L1097 R1099 V1100 M1101	D827-V1069 WeakPolarHBondContact O-CA 3.47Å; I1059-V1069 HydrophobicContact CG2-CG1 4.43Å; A1066-V1069 HydrophobicContact CB-CG2 4.1Å; V1069-L1071 HydrophobicContact CG1-CD2 4Å; V1069-L1097 HydrophobicContact CG1-CD1 4.44Å; V1069-L1097 HydrophobicContact CG2-CD2 4.45Å; V1069-R1099 PolarHBondContact N-O 3.34Å; V1069-V1100 WeakPolarHBondContact O-CA 3.39Å; V1069-M1101 PolarHBondContact O-N 2.92Å
1070	L	95.4	Very high	88.3	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	132.4	168.1	-68.5	83.2	0	0	0	108.5	I826 D827 W829 L838 L841 P842 L1068 M1101 V1103	I826-L1070 HydrophobicContact CG2-CD1 3.49Å; I826-L1070 VanDerWaalsContact CG2-CD1 3.49Å; D827-L1070 PolarHBondContact O-N 2.92Å; W829-L1070 PolarHBondContact N-O 3.46Å; L838-L1070 HydrophobicContact CD2-CB 4.22Å; L841-L1070 HydrophobicContact CB-CD2 4.03Å; P842-L1070 HydrophobicContact CG-CD1 3.96Å; P842-L1070 HydrophobicContact CG-CD2 3.62Å; P842-L1070 HydrophobicContact CG-CG 4.42Å; L1068-L1070 HydrophobicContact CD2-CD1 3.8Å; L1068-L1070 HydrophobicContact CG-CD1 3.86Å; L1070-M1101 WeakPolarHBondContact CA-O 3.45Å; L1070-M1101 HydrophobicContact CD2-CE 3.41Å; L1070-M1101 VanDerWaalsContact CD2-CE 3.41Å; L1070-M1101 HydrophobicContact CG-CE 3.79Å; L1070-V1103 HydrophobicContact CD2-CG2 4.35Å
1071	L	93.3	Very high	87.4	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	155.4	169.1	60.6	133.5	0	0	0	110.4	W829 V1069 L1093 T1094 V1100 M1101 L1102 V1103	W829-L1071 HydrophobicContact CB-CB 3.94Å; V1069-L1071 HydrophobicContact CG1-CD2 4Å; L1071-L1093 HydrophobicContact CD1-CD2 3.72Å; L1071-L1093 HydrophobicContact CD1-CG 3.95Å; L1071-T1094 HydrophobicContact CD1-CG2 4.42Å; L1071-T1094 HydrophobicContact CD2-CG2 4.38Å; L1071-V1100 HydrophobicContact CD2-CG1 3.57Å; L1071-M1101 PolarHBondContact N-O 3.36Å; L1071-L1102 HydrophobicContact CD1-CD2 3.7Å; L1071-L1102 HydrophobicContact CD2-CD2 4.48Å; L1071-L1102 HydrophobicContact CG-CD2 3.85Å; L1071-L1102 WeakPolarHBondContact O-CA 3.41Å; L1071-V1103 PolarHBondContact O-N 3.36Å
1072	N	90.4	Very high	86.6	Confident	2 Å²	2	52 Å²	52	1%	0.011	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	142.2	176.8	56.9	-60.9	0	0	0	113	I831 L838 Y901 V1103	I831-N1072 WeakPolarHBondContact CA-OD1 3.44Å; I831-N1072 VanDerWaalsContact CB-OD1 3.26Å; I831-N1072 WeakPolarHBondContact CB-OD1 3.44Å; I831-N1072 PolarHBondContact N-OD1 2.76Å; I831-N1072 PolarHBondContact O-ND2 2.7Å; L838-N1072 HydrophobicContact CD1-CB 4.21Å; Y901-N1072 WeakPolarHBondContact CE1-ND2 3.3Å; Y901-N1072 WeakPolarHBondContact CE1-O 3.23Å; Y901-N1072 PolarHBondContact OH-O 3.43Å; N1072-V1103 CarbonylContact C-O 3.49Å; N1072-V1103 WeakPolarHBondContact CA-O 3.15Å
1073	M	88.9	Confident	86.3	Confident	6 Å²	6	49.5 Å²	49.5	3%	0.03	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-92.1	129.6	178.7	179.8	-175.3	-80	0	0	110.8	F791 V795 L805 V807 Y1086 L1090 L1102 V1103 R1104	F791-M1073 HydrophobicContact CZ-CE 4.5Å; V795-M1073 HydrophobicContact CG1-SD 4.43Å; L805-M1073 HydrophobicContact CD2-SD 4.36Å; V807-M1073 HydrophobicContact CB-CE 4.19Å; V807-M1073 HydrophobicContact CG2-CE 3.82Å; M1073-Y1086 VanDerWaalsContact CG-OH 3.28Å; M1073-Y1086 WeakPolarHBondContact CG-OH 3.17Å; M1073-Y1086 PolarHBondContact SD-OH 2.87Å; M1073-L1090 HydrophobicContact CE-CD1 3.89Å; M1073-L1090 HydrophobicContact CE-CD2 4.44Å; M1073-L1090 HydrophobicContact CG-CD1 4.49Å; M1073-L1090 HydrophobicContact CG-CD2 3.97Å; M1073-L1090 HydrophobicContact SD-CD1 4.38Å; M1073-L1102 HydrophobicContact CB-CB 4.44Å; M1073-L1102 HydrophobicContact CB-CD2 4.47Å; M1073-L1102 HydrophobicContact CE-CB 3.87Å; M1073-L1102 HydrophobicContact CE-CD1 3.78Å; M1073-L1102 HydrophobicContact CE-CG 4.3Å; M1073-V1103 PolarHBondContact N-O 2.81Å; M1073-R1104 HydrophobicContact CB-CB 4.48Å
1074	P	86.5	Confident	85.8	Confident	4 Å²	4	54.8 Å²	54.8	3%	0.026	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-74.1	167.9	179.4	32.2	-36.2	0	0	0	112.9	Y901 Y1086 F1089 L1090 R1104	Y901-P1074 HydrophobicContact CD1-CB 4.12Å; Y901-P1074 HydrophobicContact CE1-CB 3.85Å; Y901-P1074 HydrophobicContact CE1-CG 4.27Å; P1074-Y1086 HydrophobicContact CG-CE2 4.3Å; P1074-Y1086 PolarHBondContact O-OH 3.45Å; P1074-Y1086 VanDerWaalsContact O-OH 3.05Å; P1074-F1089 HydrophobicContact CG-CD1 4.21Å; P1074-F1089 HydrophobicContact CG-CE1 3.75Å; P1074-L1090 HydrophobicContact CG-CD2 4.46Å; P1074-R1104 PolarHBondContact O-NH1 3Å
1075	G	81.6	Confident	85.5	Confident	2 Å²	2	50.1 Å²	50.1	2%	0.021	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-49.9	129.1	173	0	0	0	0	0	115.5	E904 Y1086 R1104	E904-G1075 WeakPolarHBondContact OE2-CA 3.31Å; E904-G1075 PolarHBondContact OE2-N 2.98Å; G1075-Y1086 VanDerWaalsContact O-CE2 3.28Å; G1075-Y1086 WeakPolarHBondContact O-CE2 3.39Å; G1075-R1104 VanDerWaalsContact CA-NH1 3.31Å
1076	P	84.4	Confident	85.4	Confident	18 Å²	18	43.4 Å²	43.4	12%	0.117	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-63	147.4	160.5	30.6	-35.3	0	0	0	109.1	I792 V795 R796 Y1086 R1104	I792-P1076 HydrophobicContact CG2-CB 4.45Å; V795-P1076 HydrophobicContact CG1-CG 4.06Å; R796-P1076 HydrophobicContact CG-CB 4.49Å; R796-P1076 HydrophobicContact CG-CG 4.15Å; P1076-Y1086 HydrophobicContact CB-CE1 4.18Å; P1076-Y1086 HydrophobicContact CB-CE2 4.33Å; P1076-R1104 VanDerWaalsContact CD-NH1 3.29Å
1077	P	80.3	Confident	85.2	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.006	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-61.1	142.3	-179.5	25.4	-35.3	0	0	0	112	R796 W1007 N1079 D1083	R796-P1077 PolarHBondContact NH2-O 3.28Å; W1007-P1077 HydrophobicContact CB-CB 3.72Å; W1007-P1077 HydrophobicContact CD2-CB 3.85Å; W1007-P1077 HydrophobicContact CE3-CB 4.42Å; W1007-P1077 HydrophobicContact CG-CB 3.56Å; P1077-N1079 PolarHBondContact O-N 3Å; P1077-D1083 WeakPolarHBondContact CG-OD1 3.37Å
1078	R	71.7	Confident	84.9	Confident	235 Å²	235	42.2 Å²	42.2	89%	0.887	19%	0.193	S	C	*	.	S	Bend	trans	-61.4	-33.3	169.6	-72.7	-173.4	174.9	-173.5	-1.9	112.3
1079	N	77.2	Confident	84.5	Confident	89 Å²	89	42.4 Å²	42.4	48%	0.476	19%	0.194	S	C	.	.	S	Bend	trans	-96.4	124.6	-179.4	-64.4	-7.1	0	0	0	110.5	T1008 P1077 N1081 G1082	T1008-N1079 HydrophobicContact CG2-CB 3.51Å; T1008-N1079 PolarHBondContact OG1-ND2 3.45Å; P1077-N1079 PolarHBondContact O-N 3Å; N1079-N1081 PolarHBondContact O-N 3.12Å; N1079-N1081 VanDerWaalsContact O-N 3.07Å; N1079-G1082 PolarHBondContact O-N 3.1Å; N1079-G1082 VanDerWaalsContact O-N 3.1Å
1080	R	77.9	Confident	84.2	Confident	153 Å²	153	42.3 Å²	42.3	58%	0.577	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-59.2	-20.7	-179.3	-72.1	-176.6	161.6	167.2	-2.9	115.2	E793 G1082 D1083	E793-R1080 IonicContact OE1-CZ 3.81Å; E793-R1080 IonicContact OE1-NE 2.66Å; E793-R1080 PolarHBondContact OE1-NE 2.71Å; E793-R1080 IonicContact OE1-NH2 2.99Å; E793-R1080 PolarHBondContact OE1-NH2 3.45Å; E793-R1080 IonicContact OE2-CZ 3.68Å; E793-R1080 IonicContact OE2-NH2 3.72Å; E793-R1080 PolarHBondContact OE2-NH2 2.79Å; R1080-G1082 PolarHBondContact O-N 3.41Å; R1080-D1083 WeakPolarHBondContact CA-OD1 3.39Å; R1080-D1083 WeakPolarHBondContact O-CB 3.34Å; R1080-D1083 PolarHBondContact O-N 3.1Å
1081	N	73.1	Confident	84	Confident	136 Å²	136	43.6 Å²	43.6	73%	0.727	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-72	-8.6	178.2	-60.7	-2.5	0	0	0	113.2	T1008 N1079	T1008-N1081 HydrophobicContact CG2-CB 3.89Å; N1079-N1081 PolarHBondContact O-N 3.12Å; N1079-N1081 VanDerWaalsContact O-N 3.07Å
1082	G	78	Confident	83.8	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-98.5	0.6	176	0	0	0	0	0	114.6	N1079 R1080 E1084 N1085 Y1086	N1079-G1082 PolarHBondContact O-N 3.1Å; N1079-G1082 VanDerWaalsContact O-N 3.1Å; R1080-G1082 PolarHBondContact O-N 3.41Å; G1082-E1084 PolarHBondContact O-N 3.11Å; G1082-N1085 WeakPolarHBondContact O-CB 3.33Å; G1082-N1085 PolarHBondContact O-N 2.95Å; G1082-Y1086 PolarHBondContact O-N 2.92Å; G1082-Y1086 VanDerWaalsContact O-N 3.11Å
1083	D	83.9	Confident	83.8	Confident	14 Å²	14	44.3 Å²	44.3	8%	0.075	20%	0.204	C	C	.	.	H	α-helix	trans	-64.3	-37	-166.5	-72.2	9.9	0	0	0	112.8	W788 I792 R796 P1077 R1080 Y1086 M1087	W788-D1083 HydrophobicContact CH2-CB 4.46Å; W788-D1083 HydrophobicContact CZ3-CB 3.83Å; I792-D1083 HydrophobicContact CD1-CB 3.6Å; I792-D1083 VanDerWaalsContact CD1-O 3.23Å; I792-D1083 WeakPolarHBondContact CD1-O 3.5Å; R796-D1083 IonicContact CZ-OD1 3.83Å; R796-D1083 IonicContact CZ-OD2 2.92Å; R796-D1083 IonicContact NH1-OD1 2.64Å; R796-D1083 IonicContact NH1-OD2 2.69Å; R796-D1083 PolarHBondContact NH1-OD2 3.21Å; R796-D1083 IonicContact NH2-OD1 3.86Å; R796-D1083 PolarHBondContact NH2-OD1 3.17Å; R796-D1083 IonicContact NH2-OD2 2.67Å; R796-D1083 PolarHBondContact NH2-OD2 3.41Å; P1077-D1083 WeakPolarHBondContact CG-OD1 3.37Å; R1080-D1083 WeakPolarHBondContact CA-OD1 3.39Å; R1080-D1083 WeakPolarHBondContact O-CB 3.34Å; R1080-D1083 PolarHBondContact O-N 3.1Å; D1083-Y1086 PolarHBondContact O-N 3.39Å; D1083-M1087 PolarHBondContact O-N 3.15Å
1084	E	84.1	Confident	83.9	Confident	112 Å²	112	44.1 Å²	44.1	52%	0.523	20%	0.203	S	C	.	.	H	α-helix	trans	-68.1	-43	175.7	-170	172.2	-177.4	0	0	111.8	W788 G1082 Y1086 M1087 E1088	W788-E1084 HydrophobicContact CH2-CB 3.83Å; W788-E1084 HydrophobicContact CH2-CG 4.42Å; W788-E1084 HydrophobicContact CZ2-CB 4.46Å; W788-E1084 HydrophobicContact CZ3-CB 4.38Å; G1082-E1084 PolarHBondContact O-N 3.11Å; E1084-Y1086 PolarHBondContact O-N 3.24Å; E1084-M1087 PolarHBondContact O-N 2.69Å; E1084-M1087 VanDerWaalsContact O-N 3.16Å; E1084-E1088 PolarHBondContact O-N 3.41Å
1085	N	83.4	Confident	84	Confident	61 Å²	61	48 Å²	48	33%	0.326	22%	0.221	S	C	.	.	H	α-helix	trans	-61.5	-31.7	176	-60.1	-35.6	0	0	0	111.9	G1082 F1089	G1082-N1085 WeakPolarHBondContact O-CB 3.33Å; G1082-N1085 PolarHBondContact O-N 2.95Å; N1085-F1089 VanDerWaalsContact O-CB 3.28Å; N1085-F1089 WeakPolarHBondContact O-CB 3.25Å; N1085-F1089 PolarHBondContact O-N 3.46Å
1086	Y	86.7	Confident	84.3	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-70.8	-40.1	176.5	177.3	-100.3	0	0	0	112	I792 W1007 M1073 P1074 G1075 P1076 G1082 D1083 E1084 F1089 L1090	I792-Y1086 HydrophobicContact CD1-CD1 4.47Å; I792-Y1086 HydrophobicContact CG1-CD1 4.32Å; W1007-Y1086 AromaticContact CH2-CD2 3.91Å; W1007-Y1086 HydrophobicContact CH2-CD2 3.91Å; W1007-Y1086 HydrophobicContact CZ2-CD2 4.44Å; W1007-Y1086 HydrophobicContact CZ3-CD2 4.36Å; M1073-Y1086 VanDerWaalsContact CG-OH 3.28Å; M1073-Y1086 WeakPolarHBondContact CG-OH 3.17Å; M1073-Y1086 PolarHBondContact SD-OH 2.87Å; P1074-Y1086 HydrophobicContact CG-CE2 4.3Å; P1074-Y1086 PolarHBondContact O-OH 3.45Å; P1074-Y1086 VanDerWaalsContact O-OH 3.05Å; G1075-Y1086 VanDerWaalsContact O-CE2 3.28Å; G1075-Y1086 WeakPolarHBondContact O-CE2 3.39Å; P1076-Y1086 HydrophobicContact CB-CE1 4.18Å; P1076-Y1086 HydrophobicContact CB-CE2 4.33Å; G1082-Y1086 PolarHBondContact O-N 2.92Å; G1082-Y1086 VanDerWaalsContact O-N 3.11Å; D1083-Y1086 PolarHBondContact O-N 3.39Å; E1084-Y1086 PolarHBondContact O-N 3.24Å; Y1086-F1089 PolarHBondContact O-N 3.05Å; Y1086-L1090 HydrophobicContact CD1-CD1 4.1Å; Y1086-L1090 HydrophobicContact CE1-CD1 3.51Å; Y1086-L1090 HydrophobicContact CE1-CG 4.37Å; Y1086-L1090 HydrophobicContact CE2-CD1 4.42Å; Y1086-L1090 WeakPolarHBondContact O-CG 3.46Å; Y1086-L1090 PolarHBondContact O-N 2.97Å; Y1086-L1090 VanDerWaalsContact O-N 3.09Å
1087	M	88.1	Confident	84.6	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-66.9	-44.1	174	-73.3	-65.1	-60	0	0	112.1	W775 P776 W779 W788 F791 I792 D1083 E1084 F1089 L1090 E1091	W775-M1087 HydrophobicContact CH2-CE 3.52Å; W775-M1087 HydrophobicContact CH2-SD 4.03Å; W775-M1087 HydrophobicContact CZ2-CE 3.52Å; W775-M1087 HydrophobicContact CZ3-CE 4.31Å; P776-M1087 HydrophobicContact CG-CE 3.93Å; W779-M1087 HydrophobicContact CD2-CB 4.41Å; W779-M1087 HydrophobicContact CD2-CE 3.89Å; W779-M1087 HydrophobicContact CE3-CB 4.13Å; W779-M1087 HydrophobicContact CG-CE 3.96Å; W779-M1087 HydrophobicContact CH2-CB 3.51Å; W779-M1087 HydrophobicContact CZ2-CB 3.82Å; W779-M1087 HydrophobicContact CZ2-CE 4.48Å; W779-M1087 HydrophobicContact CZ3-CB 3.69Å; W788-M1087 HydrophobicContact CB-CE 4.31Å; W788-M1087 HydrophobicContact CE3-CG 4.05Å; F791-M1087 HydrophobicContact CD1-CE 4.3Å; F791-M1087 HydrophobicContact CD1-SD 3.72Å; F791-M1087 HydrophobicContact CE1-SD 3.87Å; I792-M1087 HydrophobicContact CD1-CG 3.79Å; I792-M1087 HydrophobicContact CD1-SD 4.45Å; I792-M1087 HydrophobicContact CG1-CG 4.2Å; I792-M1087 HydrophobicContact CG1-SD 4.21Å; D1083-M1087 PolarHBondContact O-N 3.15Å; E1084-M1087 PolarHBondContact O-N 2.69Å; E1084-M1087 VanDerWaalsContact O-N 3.16Å; M1087-F1089 VanDerWaalsContact C-N 3.34Å; M1087-F1089 PolarHBondContact O-N 3.36Å; M1087-L1090 PolarHBondContact O-N 2.95Å; M1087-E1091 WeakPolarHBondContact O-CB 3.28Å; M1087-E1091 PolarHBondContact O-N 3.14Å
1088	E	86.9	Confident	85	Confident	49 Å²	49	58 Å²	58	23%	0.229	27%	0.268	C	S	.	.	H	α-helix	trans	-60	-42.5	173.8	-79.3	-57.8	152.9	0	0	111.9	W779 R780 E1084 L1090 E1091 V1092	W779-E1088 HydrophobicContact CH2-CG 3.85Å; W779-E1088 WeakPolarHBondContact CH2-OE1 3.39Å; R780-E1088 IonicContact CZ-OE1 2.66Å; R780-E1088 IonicContact CZ-OE2 2.77Å; R780-E1088 IonicContact NE-OE1 3.61Å; R780-E1088 PolarHBondContact NE-OE1 3.16Å; R780-E1088 IonicContact NE-OE2 2.92Å; R780-E1088 IonicContact NH2-OE1 3.6Å; R780-E1088 IonicContact NH2-OE2 3.51Å; R780-E1088 PolarHBondContact NH2-OE2 2.9Å; E1084-E1088 PolarHBondContact O-N 3.41Å; E1088-L1090 PolarHBondContact O-N 3.18Å; E1088-E1091 PolarHBondContact O-N 3.2Å; E1088-V1092 WeakPolarHBondContact O-CB 3.46Å; E1088-V1092 WeakPolarHBondContact O-CG2 3.43Å; E1088-V1092 PolarHBondContact O-N 3.47Å
1089	F	87.9	Confident	86	Confident	5 Å²	5	48.3 Å²	48.3	2%	0.022	23%	0.232	C	C	.	.	H	α-helix	trans	-57.2	-46.7	175.1	-180	-81.5	0	0	0	112.2	A900 A1052 P1074 N1085 Y1086 M1087 L1093	A900-F1089 HydrophobicContact CB-CE2 4.15Å; A900-F1089 HydrophobicContact CB-CZ 3.89Å; A1052-F1089 HydrophobicContact CB-CD2 3.7Å; A1052-F1089 HydrophobicContact CB-CE2 3.69Å; A1052-F1089 HydrophobicContact CB-CG 4.28Å; A1052-F1089 HydrophobicContact CB-CZ 4.25Å; P1074-F1089 HydrophobicContact CG-CD1 4.21Å; P1074-F1089 HydrophobicContact CG-CE1 3.75Å; N1085-F1089 VanDerWaalsContact O-CB 3.28Å; N1085-F1089 WeakPolarHBondContact O-CB 3.25Å; N1085-F1089 PolarHBondContact O-N 3.46Å; Y1086-F1089 PolarHBondContact O-N 3.05Å; M1087-F1089 VanDerWaalsContact C-N 3.34Å; M1087-F1089 PolarHBondContact O-N 3.36Å; F1089-L1093 HydrophobicContact CE1-CD2 3.88Å; F1089-L1093 WeakPolarHBondContact O-CB 3.25Å; F1089-L1093 PolarHBondContact O-N 3.15Å
1090	L	89.6	Confident	86.8	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-68.9	-36.5	179.4	-70	178.6	0	0	0	113	W775 M1073 P1074 Y1086 M1087 E1088 T1094	W775-L1090 HydrophobicContact CH2-CB 3.68Å; W775-L1090 HydrophobicContact CH2-CD1 3.99Å; W775-L1090 HydrophobicContact CZ3-CB 4.32Å; W775-L1090 HydrophobicContact CZ3-CD1 4.05Å; M1073-L1090 HydrophobicContact CE-CD1 3.89Å; M1073-L1090 HydrophobicContact CE-CD2 4.44Å; M1073-L1090 HydrophobicContact CG-CD1 4.49Å; M1073-L1090 HydrophobicContact CG-CD2 3.97Å; M1073-L1090 HydrophobicContact SD-CD1 4.38Å; P1074-L1090 HydrophobicContact CG-CD2 4.46Å; Y1086-L1090 HydrophobicContact CD1-CD1 4.1Å; Y1086-L1090 HydrophobicContact CE1-CD1 3.51Å; Y1086-L1090 HydrophobicContact CE1-CG 4.37Å; Y1086-L1090 HydrophobicContact CE2-CD1 4.42Å; Y1086-L1090 WeakPolarHBondContact O-CG 3.46Å; Y1086-L1090 PolarHBondContact O-N 2.97Å; Y1086-L1090 VanDerWaalsContact O-N 3.09Å; M1087-L1090 PolarHBondContact O-N 2.95Å; E1088-L1090 PolarHBondContact O-N 3.18Å; L1090-T1094 PolarHBondContact O-N 3.49Å; L1090-T1094 PolarHBondContact O-OG1 2.95Å
1091	E	89.6	Confident	87.6	Confident	28 Å²	28	37.1 Å²	37.1	13%	0.131	18%	0.183	C	C	.	.	H	α-helix	trans	-66.2	-49.9	178.4	-165.4	65	-115.6	0	0	110.3	W775 W779 K809 M1087 E1088 L1093 T1094 E1095	W775-E1091 WeakPolarHBondContact CZ2-OE2 3.37Å; W775-E1091 PolarHBondContact NE1-OE2 3Å; W779-E1091 HydrophobicContact CZ2-CB 3.95Å; W779-E1091 HydrophobicContact CZ2-CG 4.2Å; W779-E1091 PolarHBondContact NE1-OE2 2.87Å; K809-E1091 WeakPolarHBondContact CE-OE1 3.49Å; K809-E1091 IonicContact NZ-OE1 3.51Å; K809-E1091 PolarHBondContact NZ-OE1 3.15Å; M1087-E1091 WeakPolarHBondContact O-CB 3.28Å; M1087-E1091 PolarHBondContact O-N 3.14Å; E1088-E1091 PolarHBondContact O-N 3.2Å; E1091-L1093 PolarHBondContact O-N 3.04Å; E1091-T1094 CarbonylContact O-C 3.58Å; E1091-T1094 PolarHBondContact O-N 3.08Å; E1091-T1094 VanDerWaalsContact O-N 3.15Å; E1091-T1094 PolarHBondContact O-OG1 3.07Å; E1091-E1095 PolarHBondContact O-N 2.93Å; E1091-E1095 VanDerWaalsContact O-N 3.14Å
1092	V	89.9	Confident	88.7	Confident	18 Å²	18	30.7 Å²	30.7	11%	0.109	15%	0.149	C	C	.	.	H	α-helix	trans	-61.9	-39.9	175.8	171.8	0	0	0	0	112.2	A1052 V1053 N1056 E1088 T1094	A1052-V1092 HydrophobicContact CB-CB 4.4Å; A1052-V1092 HydrophobicContact CB-CG1 3.96Å; V1053-V1092 HydrophobicContact CG2-CG1 3.67Å; N1056-V1092 WeakPolarHBondContact CB-O 3.48Å; N1056-V1092 VanDerWaalsContact CG-O 3.28Å; N1056-V1092 PolarHBondContact ND2-O 3.04Å; E1088-V1092 WeakPolarHBondContact O-CB 3.46Å; E1088-V1092 WeakPolarHBondContact O-CG2 3.43Å; E1088-V1092 PolarHBondContact O-N 3.47Å; V1092-T1094 PolarHBondContact O-N 3.04Å
1093	L	89.8	Confident	89.4	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.5	-21.6	177.1	178.9	60.2	0	0	0	113.3	Y901 L1055 N1056 I1059 L1071 F1089 E1091	Y901-L1093 WeakPolarHBondContact OH-CD2 3.34Å; L1055-L1093 HydrophobicContact CB-CD1 4.19Å; L1055-L1093 HydrophobicContact CD2-CD1 3.59Å; L1055-L1093 HydrophobicContact CG-CD1 3.74Å; N1056-L1093 PolarHBondContact OD1-O 3.15Å; I1059-L1093 HydrophobicContact CD1-CD1 3.99Å; L1071-L1093 HydrophobicContact CD1-CD2 3.72Å; L1071-L1093 HydrophobicContact CD1-CG 3.95Å; F1089-L1093 HydrophobicContact CE1-CD2 3.88Å; F1089-L1093 WeakPolarHBondContact O-CB 3.25Å; F1089-L1093 PolarHBondContact O-N 3.15Å; E1091-L1093 PolarHBondContact O-N 3.04Å
1094	T	90.9	Very high	89.8	Confident	2 Å²	2	31.6 Å²	31.6	1%	0.012	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.9	25	-174	59.9	0	0	0	0	112.3	K809 L1071 L1090 E1091 V1092 V1100 L1102	K809-T1094 WeakPolarHBondContact CD-OG1 3.44Å; K809-T1094 PolarHBondContact NZ-O 2.98Å; K809-T1094 PolarHBondContact NZ-OG1 3.24Å; L1071-T1094 HydrophobicContact CD1-CG2 4.42Å; L1071-T1094 HydrophobicContact CD2-CG2 4.38Å; L1090-T1094 PolarHBondContact O-N 3.49Å; L1090-T1094 PolarHBondContact O-OG1 2.95Å; E1091-T1094 CarbonylContact O-C 3.58Å; E1091-T1094 PolarHBondContact O-N 3.08Å; E1091-T1094 VanDerWaalsContact O-N 3.15Å; E1091-T1094 PolarHBondContact O-OG1 3.07Å; V1092-T1094 PolarHBondContact O-N 3.04Å; T1094-V1100 HydrophobicContact CG2-CG1 3.97Å; T1094-L1102 HydrophobicContact CG2-CD1 4.45Å; T1094-L1102 HydrophobicContact CG2-CD2 4.11Å
1095	E	89.9	Confident	90	Very high	85 Å²	85	26.7 Å²	26.7	40%	0.397	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	143.2	179	-166.3	156.5	-151.6	0	0	110.6	N1056 E1091 L1097	N1056-E1095 PolarHBondContact ND2-O 3.1Å; E1091-E1095 PolarHBondContact O-N 2.93Å; E1091-E1095 VanDerWaalsContact O-N 3.14Å; E1095-L1097 VanDerWaalsContact C-N 3.29Å; E1095-L1097 PolarHBondContact O-N 2.57Å
1096	Q	87.2	Confident	90	Very high	135 Å²	135	24.3 Å²	24.3	63%	0.631	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.4	15.8	-174.6	-45.3	-173.4	15	0	0	116.6	V1060	V1060-Q1096 HydrophobicContact CG2-CB 4.31Å
1097	L	90.4	Very high	89.6	Confident	6 Å²	6	25.9 Å²	25.9	3%	0.031	14%	0.137	C	C	.	.			trans	-107.1	128.1	174.2	-59.7	178	0	0	0	111.9	N810 I1059 V1060 V1069 E1095 V1100	N810-L1097 PolarHBondContact ND2-O 3.46Å; I1059-L1097 HydrophobicContact CG2-CD1 3.83Å; I1059-L1097 HydrophobicContact CG2-CD2 4.38Å; V1060-L1097 HydrophobicContact CG2-CD2 3.97Å; V1060-L1097 HydrophobicContact CG2-CG 4.35Å; V1069-L1097 HydrophobicContact CG1-CD1 4.44Å; V1069-L1097 HydrophobicContact CG2-CD2 4.45Å; E1095-L1097 VanDerWaalsContact C-N 3.29Å; E1095-L1097 PolarHBondContact O-N 2.57Å; L1097-V1100 HydrophobicContact CB-CG2 3.45Å; L1097-V1100 VanDerWaalsContact CB-CG2 3.45Å; L1097-V1100 HydrophobicContact CD1-CG2 3.89Å; L1097-V1100 HydrophobicContact CG-CG2 4.34Å
1098	D	88.1	Confident	89	Confident	89 Å²	89	32.5 Å²	32.5	48%	0.476	16%	0.162	S	C	.	.	S	Bend	trans	-62.6	-57.8	-176.2	-86.6	1.3	0	0	0	113.4	N810	N810-D1098 WeakPolarHBondContact CB-O 3.21Å; N810-D1098 PolarHBondContact ND2-O 2.96Å
1099	R	93.1	Very high	88.9	Confident	33 Å²	33	31.2 Å²	31.2	13%	0.125	16%	0.156	C	C	.	.	S	Bend	trans	-130.6	111.3	-173.6	-79.5	176.3	-76	-100.4	-17.2	109.3	M813 F814 K1067 L1068 V1069	M813-R1099 HydrophobicContact CB-CG 3.99Å; M813-R1099 WeakPolarHBondContact O-CD 3.43Å; M813-R1099 PolarHBondContact O-NH1 3.37Å; F814-R1099 HydrophobicContact CD2-CG 4.05Å; F814-R1099 HydrophobicContact CE2-CB 4.14Å; F814-R1099 HydrophobicContact CE2-CG 3.99Å; F814-R1099 HydrophobicContact CZ-CB 4.27Å; F814-R1099 HydrophobicContact CZ-CG 4.46Å; K1067-R1099 WeakPolarHBondContact O-CD 3.19Å; K1067-R1099 PolarHBondContact O-NE 3.27Å; L1068-R1099 HydrophobicContact CD1-CB 4.16Å; V1069-R1099 PolarHBondContact N-O 3.34Å
1100	V	94.3	Very high	88.5	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	132	-178.4	-174	0	0	0	0	110.1	K809 V1069 L1071 T1094 L1097 L1102	K809-V1100 HydrophobicContact CB-CB 4.14Å; K809-V1100 PolarHBondContact N-O 3.46Å; V1069-V1100 WeakPolarHBondContact O-CA 3.39Å; L1071-V1100 HydrophobicContact CD2-CG1 3.57Å; T1094-V1100 HydrophobicContact CG2-CG1 3.97Å; L1097-V1100 HydrophobicContact CB-CG2 3.45Å; L1097-V1100 VanDerWaalsContact CB-CG2 3.45Å; L1097-V1100 HydrophobicContact CD1-CG2 3.89Å; L1097-V1100 HydrophobicContact CG-CG2 4.34Å; V1100-L1102 HydrophobicContact CG1-CG 4.24Å
1101	M	95.3	Very high	88.2	Confident	6 Å²	6	31.3 Å²	31.3	3%	0.03	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	106.6	167.1	-173.4	171.2	67.8	0	0	108.9	V807 T808 L841 L1068 V1069 L1070 L1071 V1103	V807-M1101 WeakPolarHBondContact O-CA 3.3Å; T808-M1101 HydrophobicContact CG2-CG 4.26Å; L841-M1101 HydrophobicContact CB-CE 4.13Å; L841-M1101 HydrophobicContact CD1-CE 4.14Å; L1068-M1101 HydrophobicContact CD1-CB 4.34Å; V1069-M1101 PolarHBondContact O-N 2.92Å; L1070-M1101 WeakPolarHBondContact CA-O 3.45Å; L1070-M1101 HydrophobicContact CD2-CE 3.41Å; L1070-M1101 VanDerWaalsContact CD2-CE 3.41Å; L1070-M1101 HydrophobicContact CG-CE 3.79Å; L1071-M1101 PolarHBondContact N-O 3.36Å; M1101-V1103 HydrophobicContact CE-CG2 4.36Å; M1101-V1103 HydrophobicContact CG-CG2 4.39Å
1102	L	95	Very high	87.6	Confident	1 Å²	1	30.2 Å²	30.2	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	130.2	173.9	-70.7	156	0	0	0	108.7	W775 L806 V807 L1071 M1073 T1094 V1100	W775-L1102 HydrophobicContact CE3-CD1 4.47Å; W775-L1102 HydrophobicContact CZ3-CD1 4.3Å; L806-L1102 WeakPolarHBondContact CA-O 3.35Å; V807-L1102 HydrophobicContact CB-CB 4.18Å; V807-L1102 PolarHBondContact N-O 3.04Å; V807-L1102 PolarHBondContact O-N 3.34Å; L1071-L1102 HydrophobicContact CD1-CD2 3.7Å; L1071-L1102 HydrophobicContact CD2-CD2 4.48Å; L1071-L1102 HydrophobicContact CG-CD2 3.85Å; L1071-L1102 WeakPolarHBondContact O-CA 3.41Å; M1073-L1102 HydrophobicContact CB-CB 4.44Å; M1073-L1102 HydrophobicContact CB-CD2 4.47Å; M1073-L1102 HydrophobicContact CE-CB 3.87Å; M1073-L1102 HydrophobicContact CE-CD1 3.78Å; M1073-L1102 HydrophobicContact CE-CG 4.3Å; T1094-L1102 HydrophobicContact CG2-CD1 4.45Å; T1094-L1102 HydrophobicContact CG2-CD2 4.11Å; V1100-L1102 HydrophobicContact CG1-CG 4.24Å
1103	V	94.1	Very high	86.9	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	141.9	-173.3	179.2	0	0	0	0	110	L806 M837 L838 L841 L1070 L1071 N1072 M1073 M1101	L806-V1103 HydrophobicContact CD2-CB 4.35Å; L806-V1103 HydrophobicContact CD2-CG1 4.11Å; L806-V1103 HydrophobicContact CD2-CG2 3.93Å; M837-V1103 HydrophobicContact CE-CG1 3.63Å; M837-V1103 HydrophobicContact CG-CG1 4.04Å; M837-V1103 HydrophobicContact SD-CG1 4.07Å; L838-V1103 HydrophobicContact CD2-CB 4.01Å; L838-V1103 HydrophobicContact CD2-CG1 4.33Å; L838-V1103 HydrophobicContact CD2-CG2 4.15Å; L841-V1103 HydrophobicContact CD1-CG1 3.93Å; L841-V1103 HydrophobicContact CD1-CG2 3.86Å; L1070-V1103 HydrophobicContact CD2-CG2 4.35Å; L1071-V1103 PolarHBondContact O-N 3.36Å; N1072-V1103 CarbonylContact C-O 3.49Å; N1072-V1103 WeakPolarHBondContact CA-O 3.15Å; M1073-V1103 PolarHBondContact N-O 2.81Å; M1101-V1103 HydrophobicContact CE-CG2 4.36Å; M1101-V1103 HydrophobicContact CG-CG2 4.39Å
1104	R	91.4	Very high	86.2	Confident	33 Å²	33	34.1 Å²	34.1	13%	0.125	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	131.9	172.4	-167.5	-162	-176.6	98.7	14.2	111.4	A804 L805 M837 E904 M1073 P1074 G1075 P1076	A804-R1104 CarbonylContact C-O 3.52Å; A804-R1104 VanDerWaalsContact CA-O 3.3Å; A804-R1104 WeakPolarHBondContact CA-O 3.3Å; L805-R1104 HydrophobicContact CB-CB 4.26Å; L805-R1104 PolarHBondContact N-O 2.97Å; L805-R1104 PolarHBondContact O-N 3.3Å; M837-R1104 WeakPolarHBondContact CE-O 3.4Å; E904-R1104 IonicContact OE2-NH2 3.04Å; M1073-R1104 HydrophobicContact CB-CB 4.48Å; P1074-R1104 PolarHBondContact O-NH1 3Å; G1075-R1104 VanDerWaalsContact CA-NH1 3.31Å; P1076-R1104 VanDerWaalsContact CD-NH1 3.29Å
1105	G	88.2	Confident	84.7	Confident	10 Å²	10	38.8 Å²	38.8	10%	0.103	20%	0.203	C	C	.	.			trans	-76.9	152.4	172.6	0	0	0	0	0	113.7	D834 M837 G1107	D834-G1105 VanDerWaalsContact CG-N 3.35Å; D834-G1105 PolarHBondContact OD2-N 3.18Å; M837-G1105 VanDerWaalsContact CE-CA 3.48Å; G1105-G1107 VanDerWaalsContact C-N 3.3Å
1106	G	83.4	Confident	84.4	Confident	10 Å²	10	36.5 Å²	36.5	10%	0.103	19%	0.193	C	C	.	.			trans	-81.2	-8.2	166.7	0	0	0	0	0	113.6	H802 E1109	H802-G1106 PolarHBondContact ND1-O 2.81Å; G1106-E1109 WeakPolarHBondContact CA-OE1 3.22Å; G1106-E1109 PolarHBondContact N-OE1 2.94Å; G1106-E1109 PolarHBondContact N-OE2 2.89Å
1107	G	78.6	Confident	84.3	Confident	34 Å²	34	31.3 Å²	31.3	35%	0.351	17%	0.17	S	C	.	.	S	Bend	trans	93.8	9.9	174.2	0	0	0	0	0	114.8	G1105 E1109	G1105-G1107 VanDerWaalsContact C-N 3.3Å; G1107-E1109 PolarHBondContact N-OE2 2.91Å
1108	R	76.4	Confident	83.9	Confident	139 Å²	139	32.7 Å²	32.7	53%	0.525	18%	0.178	S	C	.	.			trans	-124.3	4.6	-176.8	-59.4	-175.4	-176.6	-169.2	2.1	113.2	H802 V1110	H802-R1108 PolarHBondContact CD2-NH2 3.07Å; H802-R1108 PolarHBondContact NE2-NH2 3.16Å; H802-R1108 VanDerWaalsContact NE2-NH2 3.18Å; R1108-V1110 PolarHBondContact O-N 2.96Å
1109	E	83.7	Confident	83.7	Confident	21 Å²	21	29.4 Å²	29.4	10%	0.098	16%	0.16	C	C	.	.			trans	-81.4	104.3	-173.4	-61.8	83.1	176	0	0	112.4	W670 G1106 G1107	W670-E1109 HydrophobicContact CB-CB 4.41Å; W670-E1109 HydrophobicContact CD2-CB 4.4Å; W670-E1109 HydrophobicContact CD2-CG 3.94Å; W670-E1109 HydrophobicContact CG-CB 4.11Å; W670-E1109 HydrophobicContact CG-CG 3.89Å; W670-E1109 HydrophobicContact CZ2-CG 4.32Å; G1106-E1109 WeakPolarHBondContact CA-OE1 3.22Å; G1106-E1109 PolarHBondContact N-OE1 2.94Å; G1106-E1109 PolarHBondContact N-OE2 2.89Å; G1107-E1109 PolarHBondContact N-OE2 2.91Å
1110	V	80.6	Confident	83.1	Confident	4 Å²	4	29.1 Å²	29.1	2%	0.024	16%	0.162	C	C	.	.			trans	-108.3	130	169.4	178.2	0	0	0	0	109.8	K668 W670 L916 M919 R1108 T1112	K668-V1110 CarbonylContact C-O 3.49Å; W670-V1110 PolarHBondContact N-O 3.09Å; L916-V1110 HydrophobicContact CD2-CG2 3.81Å; M919-V1110 HydrophobicContact CE-CG2 3.66Å; R1108-V1110 PolarHBondContact O-N 2.96Å; V1110-T1112 HydrophobicContact CG1-CG2 4.1Å
1111	I	83.4	Confident	82.4	Confident	4 Å²	4	31.1 Å²	31.1	2%	0.021	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-130.8	105.5	-177.6	-57.4	159.4	0	0	0	107.9	W670 G836 L840 Y1114	W670-I1111 HydrophobicContact CB-CG1 3.94Å; W670-I1111 HydrophobicContact CE3-CD1 4.18Å; G836-I1111 VanDerWaalsContact C-CD1 3.48Å; G836-I1111 WeakPolarHBondContact O-CD1 3.41Å; L840-I1111 HydrophobicContact CB-CD1 4.1Å; L840-I1111 HydrophobicContact CD2-CD1 3.75Å; L840-I1111 HydrophobicContact CD2-CG1 4.27Å; L840-I1111 HydrophobicContact CD2-CG2 4.45Å; I1111-Y1114 HydrophobicContact CB-CE2 4.4Å; I1111-Y1114 HydrophobicContact CG2-CD1 4.17Å; I1111-Y1114 HydrophobicContact CG2-CD2 4.03Å; I1111-Y1114 HydrophobicContact CG2-CE1 3.77Å; I1111-Y1114 HydrophobicContact CG2-CE2 3.62Å; I1111-Y1114 HydrophobicContact CG2-CG 4.29Å; I1111-Y1114 VanDerWaalsContact CG2-CZ 3.47Å
1112	T	76.7	Confident	81.4	Confident	5 Å²	5	32.9 Å²	32.9	3%	0.031	18%	0.183	C	C	.	.			trans	-103.9	-18.1	178.4	57.5	0	0	0	0	113	K668 N669 E925 V1110	K668-T1112 PolarHBondContact O-OG1 2.93Å; N669-T1112 PolarHBondContact ND2-OG1 2.99Å; N669-T1112 PolarHBondContact OD1-N 2.75Å; N669-T1112 PolarHBondContact OD1-OG1 2.84Å; N669-T1112 VanDerWaalsContact OD1-OG1 3.09Å; E925-T1112 HydrophobicContact CB-CG2 4.37Å; V1110-T1112 HydrophobicContact CG1-CG2 4.1Å
1113	I	75.5	Confident	80.4	Confident	79 Å²	79	35.3 Å²	35.3	41%	0.405	20%	0.197	S	C	.	.			trans	-131.9	118.1	179.3	-52.9	-180	0	0	0	110.9	N669 R671	N669-I1113 WeakPolarHBondContact OD1-CB 3.14Å; N669-I1113 PolarHBondContact OD1-N 2.99Å; R671-I1113 PolarHBondContact NH1-O 2.97Å; R671-I1113 PolarHBondContact NH2-O 2.89Å; R671-I1113 VanDerWaalsContact NH2-O 3.09Å
1114	Y	73.6	Confident	79.3	Confident	20 Å²	20	38.3 Å²	38.3	8%	0.078	21%	0.214	C	C	.	.			trans	-98.4	110.5	174.5	-62.8	-104.6	0	0	0	108.3	G836 M839 L840 L882 I884 I1111	G836-Y1114 WeakPolarHBondContact CA-OH 3.44Å; M839-Y1114 HydrophobicContact CB-CE1 4.19Å; M839-Y1114 HydrophobicContact CE-CE1 3.93Å; M839-Y1114 VanDerWaalsContact CE-OH 3.27Å; M839-Y1114 WeakPolarHBondContact CE-OH 3.39Å; L840-Y1114 HydrophobicContact CB-CD1 4.33Å; L840-Y1114 HydrophobicContact CB-CE1 4.13Å; L840-Y1114 HydrophobicContact CD1-CD1 3.96Å; L882-Y1114 HydrophobicContact CD1-CD2 3.39Å; L882-Y1114 HydrophobicContact CD1-CE2 3.48Å; L882-Y1114 VanDerWaalsContact CD1-CE2 3.48Å; L882-Y1114 HydrophobicContact CD1-CG 4.07Å; L882-Y1114 HydrophobicContact CD2-CD2 3.82Å; L882-Y1114 HydrophobicContact CD2-CE2 4.37Å; L882-Y1114 HydrophobicContact CG-CD2 4.2Å; I884-Y1114 HydrophobicContact CD1-CD1 3.9Å; I884-Y1114 HydrophobicContact CD1-CG 3.97Å; I1111-Y1114 HydrophobicContact CB-CE2 4.4Å; I1111-Y1114 HydrophobicContact CG2-CD1 4.17Å; I1111-Y1114 HydrophobicContact CG2-CD2 4.03Å; I1111-Y1114 HydrophobicContact CG2-CE1 3.77Å; I1111-Y1114 HydrophobicContact CG2-CE2 3.62Å; I1111-Y1114 HydrophobicContact CG2-CG 4.29Å; I1111-Y1114 VanDerWaalsContact CG2-CZ 3.47Å
1115	S	59.8	Low	78.2	Confident	100 Å²	100	38.7 Å²	38.7	70%	0.699	22%	0.222	S	C	*	.			trans	-161.1	0	-175.4	59.1	0	0	0	0	113.2	R671	R671-S1115 VanDerWaalsContact NH2-N 3.17Å; R671-S1115 PolarHBondContact NH2-O 3.41Å; R671-S1115 PolarHBondContact NH2-OG 2.73Å

Retrieved 1,115 of 1,115 residues in 283.8 ms (Link to these results)

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