S12A5_MOUSE Loading...

Solute carrier family 12 member 5

Mediates electroneutral potassium-chloride cotransport in mature neurons and is required for neuronal Cl(-) homeostasis (By similarity). 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 (By similarity). Involved in the regulation of dendritic spine formation and maturation (By similarity).

AlphaFold DB , UniProt , Accession Q91V14, Species MOUSE (Mus musculus, Mouse), Gene Slc12a5, Length 1,138 aa.

						>S12A5_MOUSE|Q91V14|Slc12a5
MSRRFTVTSLPPAASAASADPESRRHSVADPRRLPREDVKGDGNPKESSPFINSTDTEKGREYDGRNMALFEEEMDTSPMVSSLLSGLANYTNLPQGSREHEEAENNEGGKKKPVQAPRMGTFMGVYLPCLQNIFGVILFLRLTWVVGIAGIMESFCMVFICCSCTMLTAISMSAIATNGVVPAGGSYYMISRSLGPEFGGAVGLCFYLGTTFAGAMYILGTIEILLAYLFPAMAIFKAEDASGEAAAMLNNMRVYGTCVLTCMATVVFVGVKYVNKFALVFLGCVILSILAIYAGVIKSAFDPPNFPICLLGNRTLSRHGFDVCAKLAWEGNETVTTRLWGLFCSSRLLNATCDEYFTRNNVTEIQGIPGAASGLIKENLWSSYLTKGVIVERRGMPSVGLADGTPVDMDHPYVFSDMTSYFTLLVGIYFPSVTGIMAGSNRSGDLRDAQKSIPTGTILAIATTSAVYISSVVLFGACIEGVVLRDKFGEAVNGNLVVGTLAWPSPWVIVIGSFFSTCGAGLQSLTGAPRLLQAISRDGIVPFLQVFGHGKANGEPTWALLLTACICEIGILIASLDEVAPILSMFFLMCYMFVNLACAVQTLLRTPNWRPRFRYYHWTLSFLGMSLCLALMFICSWYYALVAMLIAGLIYKYIEYRGAEKEWGDGIRGLSLSAARYALLRLEEGPPHTKNWRPQLLVLVRVDQDQNVVHPQLLSLTSQLKAGKGLTIVGSVLEGTFLDNHPQAQRAEESIRRLMEAEKVKGFCQVVISSNLRDGVSHLIQSGGLGGLQHNTVLVGWPRNWRQKEDHQTWRNFIELVRETTAGHLALLVTKNVSMFPGNPERFSEGSIDVWWIVHDGGMLMLLPFLLRHHKVWRKCKMRIFTVAQMDDNSIQMKKDLTTFLYHLRITAEVEVVEMHESDISAYTYEKTLVMEQRSQILKQMHLTKNEREREIQSITDESRGSIRRKNPANPRLRLNVPEETACDNEEKPEEEVQLIHDQSAPSCPSSSPSPGEEPEGERETDPEVHLTWTKDKSVAEKNKGPSPVSSEGIKDFFSMKPEWENLNQSNVRRMHTAVRLNEVIVNKSRDAKLVLLNMPGPPRNRNGDENYMEFLEVLTEQLDRVMLVRGGGREVITIYS
					

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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	34.1	Very low	35.2	Very low	251 Å²	251	157.3 Å²	157.3	100%	1.236	82%	0.82	S	S	*	*				0	135.2	0	-125.4	167.7	-173.8	0	0	107.5
2	S	30.6	Very low	35.4	Very low	106 Å²	106	154.4 Å²	154.4	74%	0.741	82%	0.818	S	S	*	*			trans	-67.1	144.4	-154.7	-68.4	0	0	0	0	118.1
3	R	33	Very low	35.5	Very low	225 Å²	225	150.3 Å²	150.3	85%	0.849	82%	0.819	S	S	*	*			trans	74.8	135.1	133.8	-74.5	176.7	177	-173	-2	120.6
4	R	34.4	Very low	35.6	Very low	220 Å²	220	147.1 Å²	147.1	83%	0.83	82%	0.823	S	S	*	*			trans	92.9	90.4	157.4	-65.4	-178.4	-170.3	173.4	2.7	117.6
5	F	36.3	Very low	35.6	Very low	175 Å²	175	145.1 Å²	145.1	77%	0.768	82%	0.823	S	S	*	*			trans	-93.1	105.2	141.1	-82.7	-81.2	0	0	0	107.9
6	T	32.6	Very low	35.6	Very low	109 Å²	109	142.4 Å²	142.4	67%	0.669	82%	0.824	S	S	*	*			trans	-97.5	111.3	161	-41.5	0	0	0	0	105.8	T8	T6-T8 PolarHBondContact O-N 2.89Å; T6-T8 VanDerWaalsContact O-N 3.15Å
7	V	37.5	Very low	35.7	Very low	135 Å²	135	140.2 Å²	140.2	82%	0.818	83%	0.827	S	S	*	*			trans	-64.6	109.1	166.7	174.6	0	0	0	0	106.3	S9	V7-S9 PolarHBondContact O-N 2.99Å
8	T	33.3	Very low	35.7	Very low	132 Å²	132	139.1 Å²	139.1	81%	0.81	83%	0.827	S	S	*	*			trans	-81.3	112.6	173.6	-14.5	0	0	0	0	107.7	T6	T6-T8 PolarHBondContact O-N 2.89Å; T6-T8 VanDerWaalsContact O-N 3.15Å
9	S	34.7	Very low	35.8	Very low	99 Å²	99	136.4 Å²	136.4	69%	0.692	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-53.3	141	170.4	47	0	0	0	0	112.5	V7	V7-S9 PolarHBondContact O-N 2.99Å
10	L	38.2	Very low	35.8	Very low	162 Å²	162	137.5 Å²	137.5	85%	0.848	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-49.4	140.8	158.9	-83.2	100.2	0	0	0	110.2
11	P	42.9	Very low	35.8	Very low	116 Å²	116	136.7 Å²	136.7	75%	0.753	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-72.8	147.7	171.1	31.6	-30.9	0	0	0	109.8
12	P	37.3	Very low	36	Very low	123 Å²	123	133.9 Å²	133.9	80%	0.799	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-76.9	143.3	178.8	18.3	-6	0	0	0	110.6	A14	P12-A14 PolarHBondContact O-N 2.88Å
13	A	37	Very low	36.3	Very low	101 Å²	101	133.3 Å²	133.3	84%	0.835	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-56.2	120.9	168.5	0	0	0	0	0	110.4	S15	A13-S15 PolarHBondContact O-N 2.79Å
14	A	36.8	Very low	36.5	Very low	105 Å²	105	132.4 Å²	132.4	87%	0.868	80%	0.798	S	S	*	*			trans	-78.3	111.3	168.8	0	0	0	0	0	109.3	P12	P12-A14 PolarHBondContact O-N 2.88Å
15	S	34.8	Very low	36.6	Very low	118 Å²	118	131.1 Å²	131.1	83%	0.825	79%	0.793	S	S	*	*			trans	-76.3	122.8	162.9	54.3	0	0	0	0	110.1	A13	A13-S15 PolarHBondContact O-N 2.79Å
16	A	36.1	Very low	36.8	Very low	102 Å²	102	130.3 Å²	130.3	84%	0.843	79%	0.791	S	S	*	*			trans	175.8	100.2	146	0	0	0	0	0	110.4
17	A	37	Very low	37	Very low	105 Å²	105	129.5 Å²	129.5	87%	0.868	79%	0.79	S	S	*	*			trans	-175.8	114.1	139.7	0	0	0	0	0	109.5
18	S	35.5	Very low	37	Very low	119 Å²	119	129.9 Å²	129.9	83%	0.832	79%	0.793	S	S	*	*			trans	-56.4	139.1	170.3	48.5	0	0	0	0	114.5
19	A	37.8	Very low	37.3	Very low	88 Å²	88	128.2 Å²	128.2	73%	0.727	79%	0.792	S	S	*	*				179.4	134.8	127.2	0	0	0	0	0	111.4
20	D	36.8	Very low	37.3	Very low	159 Å²	159	130.8 Å²	130.8	85%	0.85	80%	0.798	S	S	*	*			trans	75	108.4	158	-58.3	-18.5	0	0	0	121.7
21	P	35.8	Very low	37.5	Very low	121 Å²	121	127.2 Å²	127.2	79%	0.786	79%	0.785	S	S	*	*			trans	-108.7	136.7	149.3	34.9	-22.4	0	0	0	110.7
22	E	37.3	Very low	37.2	Very low	191 Å²	191	133 Å²	133	89%	0.893	79%	0.791	S	S	*	*			trans	179.3	142.2	137.8	-106.5	179.3	174.5	0	0	114.2
23	S	36.2	Very low	37.1	Very low	95 Å²	95	139.1 Å²	139.1	66%	0.664	80%	0.799	S	S	*	*			trans	77.2	126.7	152.7	138.5	0	0	0	0	116.6
24	R	37.6	Very low	36.9	Very low	205 Å²	205	142 Å²	142	77%	0.774	80%	0.799	S	S	*	*			cis	-174.6	133.1	23.5	-108.1	167.2	-167.7	-173.3	5.3	110
25	R	38.1	Very low	37	Very low	193 Å²	193	142.2 Å²	142.2	73%	0.728	79%	0.791	S	S	*	*				74.6	123.8	122.3	-76.7	-179.1	-169.7	-165.2	4.3	123.9
26	H	39.7	Very low	36.9	Very low	158 Å²	158	147.7 Å²	147.7	73%	0.731	79%	0.794	S	S	*	*			trans	76.7	143.7	135.3	-63.3	-49.4	0	0	0	118.8
27	S	37.4	Very low	36.9	Very low	93 Å²	93	152 Å²	152	65%	0.65	80%	0.797	S	S	*	*			cis	-176.4	126.1	-8.8	46.9	0	0	0	0	106.8
28	V	37.6	Very low	36.7	Very low	143 Å²	143	154.5 Å²	154.5	87%	0.867	80%	0.796	S	S	*	*				74.6	127.6	111.3	179.9	0	0	0	0	118.1
29	A	37.8	Very low	36.7	Very low	97 Å²	97	156 Å²	156	80%	0.802	80%	0.8	S	S	*	*			trans	108.6	112.6	144.3	0	0	0	0	0	121.1
30	D	35.5	Very low	36.6	Very low	153 Å²	153	161.8 Å²	161.8	82%	0.818	81%	0.808	S	S	*	*			trans	-72.2	-172.9	161.1	-148.8	13	0	0	0	111.3
31	P	43.1	Very low	36.5	Very low	87 Å²	87	158 Å²	158	57%	0.565	81%	0.807	S	S	*	*			cis	-130.7	171.7	-41.2	16.6	7.1	0	0	0	114.5
32	R	35.2	Very low	36.3	Very low	236 Å²	236	160.7 Å²	160.7	89%	0.891	81%	0.814	S	S	*	*			trans	65.1	112.1	149	-69.6	166.5	-162.6	-167.8	5.9	121
33	R	36.2	Very low	36.1	Very low	253 Å²	253	155.3 Å²	155.3	96%	0.955	81%	0.811	S	S	*	*				179.4	128.9	118.8	-96.8	175.8	-162.1	-143.8	4.9	112
34	L	32.4	Very low	36	Very low	162 Å²	162	158.1 Å²	158.1	85%	0.848	82%	0.818	S	S	*	*			trans	-56.2	172.4	166.7	-79.8	145.3	0	0	0	112.9
35	P	38.8	Very low	35.9	Very low	108 Å²	108	154.1 Å²	154.1	70%	0.701	82%	0.819	S	S	*	*			cis	-152.2	172.5	30.5	39.2	-16.1	0	0	0	120.1
36	R	33.9	Very low	35.7	Very low	233 Å²	233	154.5 Å²	154.5	88%	0.879	83%	0.826	S	S	*	*			trans	59	116.8	144.3	-77.5	174.2	175.3	171.6	-2	121
37	E	34.7	Very low	35.5	Very low	194 Å²	194	155.8 Å²	155.8	91%	0.907	83%	0.832	S	S	*	*				-170	151.1	114.1	-103.1	176.3	179.6	0	0	111.4
38	D	34.4	Very low	35.3	Very low	157 Å²	157	157.5 Å²	157.5	84%	0.84	84%	0.844	S	S	*	*			trans	-77.2	140.7	-157.8	-58.4	-67.7	0	0	0	116.7
39	V	35.4	Very low	35.2	Very low	151 Å²	151	155.6 Å²	155.6	92%	0.915	84%	0.837	S	S	*	*			trans	-156.4	135.9	139.5	-176	0	0	0	0	110.1
40	K	34.8	Very low	35	Very low	209 Å²	209	155.8 Å²	155.8	91%	0.909	83%	0.83	S	S	*	*			trans	-76	152.5	-177.3	-69.1	168.1	169.9	174.5	0	114.8
41	G	34.1	Very low	35.1	Very low	80 Å²	80	157.7 Å²	157.7	83%	0.825	83%	0.831	S	S	*	*			trans	120.7	114.2	134.9	0	0	0	0	0	119.8
42	D	31.5	Very low	34.7	Very low	176 Å²	176	160.9 Å²	160.9	94%	0.941	84%	0.842	S	S	*	*			trans	-25.5	156.7	170.4	-65.9	-35.7	0	0	0	122.7
43	G	33.3	Very low	34.5	Very low	79 Å²	79	156.1 Å²	156.1	81%	0.814	83%	0.834	S	S	*	*			trans	168.7	111	153.1	0	0	0	0	0	117.8
44	N	33.7	Very low	34.2	Very low	153 Å²	153	149 Å²	149	82%	0.818	82%	0.824	S	S	*	*			trans	-42.1	158.5	175.4	-107.3	-8.9	0	0	0	118.6	K46	N44-K46 PolarHBondContact O-N 2.84Å
45	P	36.7	Very low	34.4	Very low	122 Å²	122	147.4 Å²	147.4	79%	0.792	82%	0.821	S	S	*	*			trans	-74	114.6	166.8	31.8	-28.3	0	0	0	109.7
46	K	33.8	Very low	34.2	Very low	200 Å²	200	148.4 Å²	148.4	87%	0.87	82%	0.82	S	S	*	*			trans	-77.6	121.8	-176.7	-80.6	-178.6	173.3	179.4	0	112.4	N44	N44-K46 PolarHBondContact O-N 2.84Å
47	E	34.6	Very low	34.3	Very low	186 Å²	186	142.7 Å²	142.7	87%	0.869	81%	0.811	S	S	*	*			trans	-62.5	141.8	151.5	-74.7	178.8	143.7	0	0	110.4	S49	E47-S49 PolarHBondContact O-N 3.43Å
48	S	33.3	Very low	34.3	Very low	128 Å²	128	142 Å²	142	90%	0.895	81%	0.808	S	S	*	*			trans	-82.8	98.8	-175.6	51.7	0	0	0	0	112.1
49	S	36.2	Very low	34.3	Very low	104 Å²	104	144.9 Å²	144.9	73%	0.727	81%	0.813	S	S	*	*			trans	-116.8	128.3	153.6	55.9	0	0	0	0	108.3	E47	E47-S49 PolarHBondContact O-N 3.43Å
50	P	33.7	Very low	34.2	Very low	101 Å²	101	141 Å²	141	66%	0.656	80%	0.804	S	S	*	*			trans	-82.1	148.7	173.9	32.9	-28.4	0	0	0	109
51	F	36.9	Very low	34	Very low	192 Å²	192	142.5 Å²	142.5	84%	0.842	80%	0.803	S	S	*	*			trans	84.4	86.2	177.7	-48.8	-75.8	0	0	0	116
52	I	35.8	Very low	33.9	Very low	155 Å²	155	146.1 Å²	146.1	80%	0.795	80%	0.799	S	S	*	*				168.9	134.1	120	-82.6	157.1	0	0	0	110.4
53	N	30.5	Very low	34	Very low	135 Å²	135	147 Å²	147	72%	0.722	79%	0.79	S	S	*	*			trans	75.4	98.2	162.5	-72.4	-8.4	0	0	0	121.9
54	S	30.2	Very low	34	Very low	105 Å²	105	151.1 Å²	151.1	73%	0.734	79%	0.794	S	S	*	*				24.4	115.5	106.3	-47	0	0	0	0	119.6
55	T	35.5	Very low	34.1	Very low	128 Å²	128	147.1 Å²	147.1	79%	0.785	79%	0.788	S	S	*	*			trans	163.5	139.3	140.1	44.1	0	0	0	0	105.1
56	D	35.5	Very low	34	Very low	128 Å²	128	151.7 Å²	151.7	68%	0.684	79%	0.79	S	S	*	*			cis	-169.4	154.7	-1.5	-111.5	-36.4	0	0	0	105
57	T	34.8	Very low	34	Very low	114 Å²	114	148.9 Å²	148.9	70%	0.699	78%	0.784	S	S	*	*			trans	36.1	130.3	143.1	59.5	0	0	0	0	118.9
58	E	34.4	Very low	34.1	Very low	179 Å²	179	149 Å²	149	84%	0.836	79%	0.787	S	S	*	*				171.2	125.4	55	-133.2	171.9	-155.4	0	0	106.7
59	K	36.3	Very low	34.1	Very low	218 Å²	218	147.3 Å²	147.3	95%	0.948	78%	0.781	S	S	*	*			trans	-170.1	94.4	146.3	-107.9	176.4	-171.4	-178	0	107.5
60	G	32	Very low	34	Very low	69 Å²	69	149.7 Å²	149.7	71%	0.711	79%	0.785	S	S	*	*			trans	-89.2	-180	-172.5	0	0	0	0	0	114.9
61	R	30.3	Very low	34	Very low	240 Å²	240	153.6 Å²	153.6	91%	0.906	79%	0.792	S	S	*	*			trans	73.5	107.2	160.1	-60.5	-178.1	175.7	169.2	-0.2	115.2
62	E	32.7	Very low	33.9	Very low	156 Å²	156	153.3 Å²	153.3	73%	0.729	79%	0.793	S	S	*	*				-177.2	132	97.1	-102.1	-178	162.6	0	0	113.4
63	Y	33.6	Very low	33.7	Very low	194 Å²	194	155.4 Å²	155.4	76%	0.761	80%	0.8	S	S	*	*			trans	58.2	99	160.8	-57	-71.8	0	0	0	118
64	D	32.6	Very low	33.6	Very low	167 Å²	167	155.6 Å²	155.6	89%	0.893	80%	0.796	S	S	*	*				55.2	109	55.6	-145.9	10.1	0	0	0	114.8
65	G	36	Very low	33.9	Very low	68 Å²	68	159.5 Å²	159.5	70%	0.701	81%	0.805	S	S	*	*			trans	-176.6	68.4	-166.5	0	0	0	0	0	112.8
66	R	35.8	Very low	33.8	Very low	218 Å²	218	158.5 Å²	158.5	82%	0.823	80%	0.795	S	S	*	*			trans	55.5	115	138.9	-71.8	176.4	173.8	158.9	-1.3	118.8
67	N	33.5	Very low	33.8	Very low	141 Å²	141	158.8 Å²	158.8	75%	0.754	80%	0.802	S	S	*	*				59.4	129.4	117.8	-55.6	-13.4	0	0	0	119.3
68	M	36.1	Very low	34.1	Very low	188 Å²	188	155.9 Å²	155.9	93%	0.926	79%	0.786	S	S	*	*			trans	91.9	91.5	152.7	-48.8	-146.1	-70	0	0	117.2
69	A	34.1	Very low	34.5	Very low	94 Å²	94	151.3 Å²	151.3	78%	0.777	77%	0.772	S	S	*	*				-173.4	90.4	119.2	0	0	0	0	0	109
70	L	34.5	Very low	35.1	Very low	154 Å²	154	147.9 Å²	147.9	81%	0.806	76%	0.761	S	S	*	*			trans	-66.4	138	147.8	-161.7	133.7	0	0	0	105.3
71	F	33.8	Very low	36	Very low	182 Å²	182	148.7 Å²	148.7	80%	0.798	75%	0.752	S	S	*	*			trans	97.5	81.3	-167.6	-61.3	-76	0	0	0	116.7
72	E	34.8	Very low	36.9	Very low	187 Å²	187	139.7 Å²	139.7	87%	0.874	73%	0.726	S	S	*	*				-155.6	52	124.2	-126.7	175.9	-159.7	0	0	108.7	E74	E72-E74 PolarHBondContact O-N 3.16Å
73	E	30.9	Very low	38.1	Very low	199 Å²	199	135.1 Å²	135.1	93%	0.93	71%	0.711	S	S	*	*			trans	-87.9	65.5	155.8	-135.2	-175.8	-177.3	0	0	106.3
74	E	29.2	Very low	39.3	Very low	138 Å²	138	129.2 Å²	129.2	65%	0.645	69%	0.692	S	S	*	*			trans	-178.6	76.5	172.1	-105.4	166.4	-171	0	0	105.2	E72 D76	E72-E74 PolarHBondContact O-N 3.16Å; E74-D76 PolarHBondContact O-N 2.83Å
75	M	34.8	Very low	40.8	Very low	188 Å²	188	126.3 Å²	126.3	93%	0.926	68%	0.676	S	S	*	*			trans	-70.1	91.1	141.7	-118.5	-176.9	73	0	0	102.4
76	D	34.8	Very low	42.2	Very low	107 Å²	107	125.9 Å²	125.9	57%	0.572	66%	0.662	S	S	*	*			trans	-32.4	157.7	-180	-74.5	-52.2	0	0	0	110.6	E74 S78	E74-D76 PolarHBondContact O-N 2.83Å; D76-S78 PolarHBondContact O-N 3.26Å
77	T	34	Very low	43.5	Very low	134 Å²	134	116.7 Å²	116.7	82%	0.822	64%	0.636	S	S	*	*			trans	-45.5	77.8	153.1	47.6	0	0	0	0	110.2	P79	T77-P79 VanDerWaalsContact C-N 3.34Å; T77-P79 WeakPolarHBondContact O-CD 3.3Å
78	S	43.1	Very low	45	Very low	53 Å²	53	112.6 Å²	112.6	37%	0.371	61%	0.614	S	S	.	*			trans	-57.2	112.5	157.4	69.2	0	0	0	0	99.3	D76 M80 S82	D76-S78 PolarHBondContact O-N 3.26Å; S78-M80 PolarHBondContact O-N 3.18Å; S78-S82 WeakPolarHBondContact CB-OG 3.36Å
79	P	41.5	Very low	46.4	Very low	82 Å²	82	107.5 Å²	107.5	53%	0.532	60%	0.601	S	S	.	*			trans	-50.1	126.6	-177.2	22	-31.7	0	0	0	103.7	T77 V81 S82	T77-P79 VanDerWaalsContact C-N 3.34Å; T77-P79 WeakPolarHBondContact O-CD 3.3Å; P79-V81 HydrophobicContact CB-CB 4.24Å; P79-V81 HydrophobicContact CB-CG2 4.32Å; P79-V81 CarbonylContact O-C 3.6Å; P79-V81 VanDerWaalsContact O-C 3.28Å; P79-V81 VanDerWaalsContact O-CA 3.31Å; P79-V81 WeakPolarHBondContact O-CA 3.36Å; P79-V81 PolarHBondContact O-N 3.24Å; P79-S82 PolarHBondContact O-N 3.31Å; P79-S82 PolarHBondContact O-OG 3.46Å
80	M	48.7	Very low	48.1	Very low	146 Å²	146	107.4 Å²	107.4	72%	0.719	59%	0.587	S	S	*	*	H	α-helix	trans	-42	-32.7	-171.5	-167.7	176.8	83.9	0	0	111.3	S78 S83 L84	S78-M80 PolarHBondContact O-N 3.18Å; M80-S83 PolarHBondContact O-OG 2.99Å; M80-L84 HydrophobicContact CE-CD1 4.04Å; M80-L84 HydrophobicContact CG-CD1 4.07Å; M80-L84 WeakPolarHBondContact O-CB 3.42Å; M80-L84 WeakPolarHBondContact O-CG 3.26Å; M80-L84 PolarHBondContact O-N 3.44Å
81	V	52.3	Low	50.2	Low	87 Å²	87	100.4 Å²	100.4	53%	0.527	55%	0.55	S	S	.	*	H	α-helix	trans	-39.8	-53.5	160.9	-161.5	0	0	0	0	117.4	P79 L84 L85	P79-V81 HydrophobicContact CB-CB 4.24Å; P79-V81 HydrophobicContact CB-CG2 4.32Å; P79-V81 CarbonylContact O-C 3.6Å; P79-V81 VanDerWaalsContact O-C 3.28Å; P79-V81 VanDerWaalsContact O-CA 3.31Å; P79-V81 WeakPolarHBondContact O-CA 3.36Å; P79-V81 PolarHBondContact O-N 3.24Å; V81-L84 CarbonylContact O-C 3.6Å; V81-L84 PolarHBondContact O-N 3.4Å; V81-L85 HydrophobicContact CG1-CD1 3.81Å; V81-L85 HydrophobicContact CG1-CG 4.11Å; V81-L85 VanDerWaalsContact O-CB 3.25Å; V81-L85 WeakPolarHBondContact O-CB 3.47Å; V81-L85 WeakPolarHBondContact O-CG 3.39Å; V81-L85 PolarHBondContact O-N 3.38Å
82	S	48.3	Very low	52.4	Low	51 Å²	51	93.1 Å²	93.1	36%	0.357	52%	0.521	S	S	.	.	H	α-helix	trans	-68.6	-40.7	-177.3	61.5	0	0	0	0	112.8	S78 P79 L84 L85 S86	S78-S82 WeakPolarHBondContact CB-OG 3.36Å; P79-S82 PolarHBondContact O-N 3.31Å; P79-S82 PolarHBondContact O-OG 3.46Å; S82-L84 VanDerWaalsContact C-N 3.33Å; S82-L85 PolarHBondContact O-N 3.08Å; S82-S86 WeakPolarHBondContact O-CB 3.28Å; S82-S86 PolarHBondContact O-N 3.07Å; S82-S86 PolarHBondContact O-OG 3.42Å
83	S	58.8	Low	54.4	Low	60 Å²	60	84.5 Å²	84.5	42%	0.42	48%	0.481	S	S	.	.	H	α-helix	trans	-63.5	-41.5	171.8	77.4	0	0	0	0	111.1	M80 S86 G87	M80-S83 PolarHBondContact O-OG 2.99Å; S83-S86 PolarHBondContact O-N 2.89Å; S83-S86 PolarHBondContact O-OG 3.27Å; S83-G87 PolarHBondContact O-N 2.69Å
84	L	58.3	Low	56.8	Low	70 Å²	70	75.2 Å²	75.2	37%	0.366	44%	0.438	S	S	.	.	H	α-helix	trans	-64.4	-43	174.5	-73.5	172.5	0	0	0	111.9	M80 V81 S82 G87 L88	M80-L84 HydrophobicContact CE-CD1 4.04Å; M80-L84 HydrophobicContact CG-CD1 4.07Å; M80-L84 WeakPolarHBondContact O-CB 3.42Å; M80-L84 WeakPolarHBondContact O-CG 3.26Å; M80-L84 PolarHBondContact O-N 3.44Å; V81-L84 CarbonylContact O-C 3.6Å; V81-L84 PolarHBondContact O-N 3.4Å; S82-L84 VanDerWaalsContact C-N 3.33Å; L84-G87 CarbonylContact O-C 3.59Å; L84-G87 PolarHBondContact O-N 3.21Å; L84-L88 VanDerWaalsContact O-CB 3.28Å; L84-L88 WeakPolarHBondContact O-CB 3.34Å; L84-L88 WeakPolarHBondContact O-CG 3.39Å; L84-L88 PolarHBondContact O-N 3.17Å
85	L	64.4	Low	59.1	Low	106 Å²	106	69.2 Å²	69.2	56%	0.555	41%	0.411	S	S	*	.	H	α-helix	trans	-64.9	-40.8	177.8	-76.6	172.6	0	0	0	111.1	V81 S82 L88 A89	V81-L85 HydrophobicContact CG1-CD1 3.81Å; V81-L85 HydrophobicContact CG1-CG 4.11Å; V81-L85 VanDerWaalsContact O-CB 3.25Å; V81-L85 WeakPolarHBondContact O-CB 3.47Å; V81-L85 WeakPolarHBondContact O-CG 3.39Å; V81-L85 PolarHBondContact O-N 3.38Å; S82-L85 PolarHBondContact O-N 3.08Å; L85-L88 HydrophobicContact CD2-CD1 4.42Å; L85-L88 PolarHBondContact O-N 3.16Å; L85-A89 WeakPolarHBondContact O-CB 3.17Å; L85-A89 PolarHBondContact O-N 3.45Å
86	S	64	Low	61.2	Low	58 Å²	58	60.8 Å²	60.8	41%	0.406	37%	0.369	S	S	.	.	H	α-helix	trans	-66.1	-39.7	173.9	75.3	0	0	0	0	112	S82 S83 A89 N90	S82-S86 WeakPolarHBondContact O-CB 3.28Å; S82-S86 PolarHBondContact O-N 3.07Å; S82-S86 PolarHBondContact O-OG 3.42Å; S83-S86 PolarHBondContact O-N 2.89Å; S83-S86 PolarHBondContact O-OG 3.27Å; S86-A89 PolarHBondContact O-N 3.2Å; S86-N90 PolarHBondContact O-N 3.19Å; S86-N90 VanDerWaalsContact O-N 3.12Å
87	G	62.9	Low	63	Low	26 Å²	26	56 Å²	56	27%	0.268	35%	0.345	S	S	.	.	H	α-helix	trans	-66.3	-36.9	173.8	0	0	0	0	0	112.7	S83 L84 N90 Y91	S83-G87 PolarHBondContact O-N 2.69Å; L84-G87 CarbonylContact O-C 3.59Å; L84-G87 PolarHBondContact O-N 3.21Å; G87-N90 CarbonylContact O-C 3.55Å; G87-N90 PolarHBondContact O-N 3.15Å; G87-Y91 PolarHBondContact O-N 3Å; G87-Y91 VanDerWaalsContact O-N 3.11Å
88	L	66.7	Low	65.2	Low	55 Å²	55	49.7 Å²	49.7	29%	0.288	31%	0.306	S	S	.	.	H	α-helix	trans	-68	-41.3	174	-76.2	167.1	0	0	0	111.2	L84 L85 N90 Y91 M124 L280	L84-L88 VanDerWaalsContact O-CB 3.28Å; L84-L88 WeakPolarHBondContact O-CB 3.34Å; L84-L88 WeakPolarHBondContact O-CG 3.39Å; L84-L88 PolarHBondContact O-N 3.17Å; L85-L88 HydrophobicContact CD2-CD1 4.42Å; L85-L88 PolarHBondContact O-N 3.16Å; L88-N90 VanDerWaalsContact C-N 3.25Å; L88-N90 PolarHBondContact O-N 2.99Å; L88-Y91 VanDerWaalsContact O-CB 3.29Å; L88-Y91 WeakPolarHBondContact O-CB 3.32Å; L88-Y91 PolarHBondContact O-N 2.92Å; L88-M124 HydrophobicContact CD2-CE 3.42Å; L88-M124 VanDerWaalsContact CD2-CE 3.42Å; L88-M124 HydrophobicContact CD2-SD 4.38Å; L88-M124 HydrophobicContact CG-CE 3.53Å; L88-L280 HydrophobicContact CB-CD2 4.17Å; L88-L280 HydrophobicContact CD2-CD1 3.6Å; L88-L280 HydrophobicContact CD2-CD2 3.95Å; L88-L280 HydrophobicContact CD2-CG 4.44Å
89	A	64.4	Low	67.1	Low	80 Å²	80	52 Å²	52	66%	0.661	31%	0.307	S	S	*	.	H	α-helix	trans	-64.3	-32.1	177.8	0	0	0	0	0	112.4	L85 S86	L85-A89 WeakPolarHBondContact O-CB 3.17Å; L85-A89 PolarHBondContact O-N 3.45Å; S86-A89 PolarHBondContact O-N 3.2Å
90	N	69.8	Low	68.9	Low	92 Å²	92	51.2 Å²	51.2	49%	0.492	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	11	177.2	-68.1	-20.6	0	0	0	113.5	S86 G87 L88 T92 M120	S86-N90 PolarHBondContact O-N 3.19Å; S86-N90 VanDerWaalsContact O-N 3.12Å; G87-N90 CarbonylContact O-C 3.55Å; G87-N90 PolarHBondContact O-N 3.15Å; L88-N90 VanDerWaalsContact C-N 3.25Å; L88-N90 PolarHBondContact O-N 2.99Å; N90-T92 PolarHBondContact O-N 3.38Å; N90-T92 VanDerWaalsContact O-N 3.15Å; N90-M120 WeakPolarHBondContact O-CE 3.44Å
91	Y	79.1	Confident	70.5	Confident	7 Å²	7	44.8 Å²	44.8	3%	0.027	26%	0.264	C	S	.	.			trans	-63.6	117.2	178.6	176.8	-103	0	0	0	110.4	G87 L88 N93 M124 L128 P129 Q132 A279 L280 L283	G87-Y91 PolarHBondContact O-N 3Å; G87-Y91 VanDerWaalsContact O-N 3.11Å; L88-Y91 VanDerWaalsContact O-CB 3.29Å; L88-Y91 WeakPolarHBondContact O-CB 3.32Å; L88-Y91 PolarHBondContact O-N 2.92Å; Y91-N93 HydrophobicContact CE1-CB 3.88Å; Y91-M124 HydrophobicContact CD2-SD 4.46Å; Y91-L128 HydrophobicContact CE2-CB 3.99Å; Y91-L128 HydrophobicContact CE2-CD1 4.48Å; Y91-P129 HydrophobicContact CE2-CG 4.1Å; Y91-Q132 PolarHBondContact OH-OE1 2.94Å; Y91-A279 HydrophobicContact CD1-CB 3.92Å; Y91-A279 HydrophobicContact CE1-CB 3.81Å; Y91-L280 HydrophobicContact CD1-CB 4.03Å; Y91-L280 HydrophobicContact CD1-CD1 4.29Å; Y91-L283 HydrophobicContact CE1-CD2 4.38Å
92	T	78.9	Confident	71.9	Confident	29 Å²	29	44.3 Å²	44.3	18%	0.178	26%	0.256	C	S	.	.			trans	-124.5	81.5	-175.7	-179.6	0	0	0	0	112.7	N90 L94 M120 N276 R443	N90-T92 PolarHBondContact O-N 3.38Å; N90-T92 VanDerWaalsContact O-N 3.15Å; T92-L94 PolarHBondContact O-N 3.43Å; T92-M120 HydrophobicContact CG2-CE 4.02Å; T92-N276 PolarHBondContact OG1-ND2 2.8Å; T92-R443 PolarHBondContact O-NE 3.47Å; T92-R443 PolarHBondContact O-NH1 3.18Å; T92-R443 PolarHBondContact O-NH2 3.06Å
93	N	78.4	Confident	73.5	Confident	7 Å²	7	45.7 Å²	45.7	4%	0.037	26%	0.257	C	S	.	.			trans	3.5	-59.3	153.6	132.6	-38.7	0	0	0	123.1	Y91 Q132 A279 R443 Q524	Y91-N93 HydrophobicContact CE1-CB 3.88Å; N93-Q132 PolarHBondContact ND2-NE2 2.94Å; N93-Q132 PolarHBondContact ND2-OE1 3.41Å; N93-A279 HydrophobicContact CB-CB 3.86Å; N93-A279 WeakPolarHBondContact OD1-CB 3.39Å; N93-R443 VanDerWaalsContact C-NH2 3.26Å; N93-R443 PolarHBondContact O-NH2 3.43Å; N93-Q524 PolarHBondContact ND2-OE1 3.06Å
94	L	80.2	Confident	74.4	Confident	4 Å²	4	44.5 Å²	44.5	2%	0.021	25%	0.25	C	S	.	.	S	Bend	trans	-86.9	160.1	-150.9	-75.7	75.3	0	0	0	113.4	T92 V272 V275 N276 T527	T92-L94 PolarHBondContact O-N 3.43Å; L94-V272 HydrophobicContact CD2-CG1 3.16Å; L94-V275 HydrophobicContact CD1-CG1 4.22Å; L94-V275 HydrophobicContact CD2-CG1 4.46Å; L94-N276 WeakPolarHBondContact CD1-OD1 3.48Å; L94-N276 WeakPolarHBondContact CD2-OD1 3.47Å; L94-N276 WeakPolarHBondContact CG-OD1 3.48Å; L94-T527 HydrophobicContact CD2-CG2 3.79Å; L94-T527 VanDerWaalsContact CD2-OG1 3.31Å; L94-T527 WeakPolarHBondContact CD2-OG1 3.4Å
95	P	78.1	Confident	75.3	Confident	12 Å²	12	46.5 Å²	46.5	8%	0.078	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-73.6	142.9	177.3	28.6	-32.5	0	0	0	113	N442 R531	P95-N442 HydrophobicContact CB-CB 3.89Å; P95-R531 WeakPolarHBondContact O-CD 3.36Å; P95-R531 PolarHBondContact O-NH1 3.27Å
96	Q	78.7	Confident	75.9	Confident	11 Å²	11	47.1 Å²	47.1	5%	0.051	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-66.6	152.6	166.3	-71.2	-175.3	-22.1	0	0	110.9	E100 N442 D446	Q96-E100 WeakPolarHBondContact CA-OE2 3.44Å; Q96-E100 WeakPolarHBondContact CB-OE2 3.32Å; Q96-E100 VanDerWaalsContact CG-OE2 3.24Å; Q96-E100 WeakPolarHBondContact CG-OE2 3.45Å; Q96-N442 WeakPolarHBondContact CB-O 3.34Å; Q96-N442 VanDerWaalsContact CG-O 3.31Å; Q96-N442 WeakPolarHBondContact CG-O 3.3Å; Q96-N442 PolarHBondContact N-O 3.11Å; Q96-D446 PolarHBondContact NE2-OD1 3.49Å; Q96-D446 PolarHBondContact NE2-OD2 3.47Å
97	G	73.4	Confident	76.1	Confident	7 Å²	7	48.3 Å²	48.3	7%	0.072	26%	0.264	C	S	.	.			trans	-131.4	-171.3	-175.9	0	0	0	0	0	113.5	R99 E100 H101	G97-R99 VanDerWaalsContact C-N 3.27Å; G97-R99 PolarHBondContact O-N 3.28Å; G97-E100 PolarHBondContact N-OE2 3.12Å; G97-E100 PolarHBondContact O-N 3.01Å; G97-H101 PolarHBondContact O-N 2.93Å
98	S	79.9	Confident	76	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-56.2	-34.9	-177.4	55	0	0	0	0	114.9	H101 E102 Q534 R538	S98-H101 WeakPolarHBondContact O-CB 3.27Å; S98-H101 PolarHBondContact O-N 3.43Å; S98-E102 WeakPolarHBondContact O-CG 3.38Å; S98-E102 PolarHBondContact O-N 3Å; S98-Q534 PolarHBondContact OG-OE1 3.33Å; S98-R538 PolarHBondContact OG-NH1 3Å
99	R	82.4	Confident	75.3	Confident	103 Å²	103	56.7 Å²	56.7	39%	0.389	31%	0.314	S	S	.	.	H	α-helix	trans	-62.8	-44.9	179.6	178.9	-176.1	157.8	137.9	5.3	112.5	G97 H101 E102 E103 A553 N554	G97-R99 VanDerWaalsContact C-N 3.27Å; G97-R99 PolarHBondContact O-N 3.28Å; R99-H101 VanDerWaalsContact C-N 3.27Å; R99-H101 PolarHBondContact O-N 3.31Å; R99-E102 PolarHBondContact O-N 3.36Å; R99-E103 HydrophobicContact CG-CG 4.47Å; R99-E103 IonicContact CZ-OE1 3.25Å; R99-E103 IonicContact NE-OE1 3.76Å; R99-E103 PolarHBondContact NE-OE1 3.09Å; R99-E103 IonicContact NH2-OE1 2.74Å; R99-E103 PolarHBondContact NH2-OE1 2.94Å; R99-E103 WeakPolarHBondContact O-CG 3.46Å; R99-E103 PolarHBondContact O-N 3.32Å; R99-A553 PolarHBondContact NH1-O 2.79Å; R99-N554 WeakPolarHBondContact CD-O 3.4Å; R99-N554 PolarHBondContact NH1-O 3.02Å
100	E	80	Confident	74.2	Confident	65 Å²	65	54.7 Å²	54.7	30%	0.304	30%	0.302	S	S	.	.	H	α-helix	trans	-69.5	-30.6	-178.8	-68.3	145	157.4	0	0	111.1	Q96 G97 A104	Q96-E100 WeakPolarHBondContact CA-OE2 3.44Å; Q96-E100 WeakPolarHBondContact CB-OE2 3.32Å; Q96-E100 VanDerWaalsContact CG-OE2 3.24Å; Q96-E100 WeakPolarHBondContact CG-OE2 3.45Å; G97-E100 PolarHBondContact N-OE2 3.12Å; G97-E100 PolarHBondContact O-N 3.01Å; E100-A104 WeakPolarHBondContact O-CB 3.39Å; E100-A104 PolarHBondContact O-N 3Å
101	H	81.8	Confident	72.7	Confident	11 Å²	11	61.1 Å²	61.1	5%	0.051	33%	0.325	C	S	.	.	H	α-helix	trans	-63.5	-49.7	170.5	-173.8	-76.6	0	0	0	111.6	G97 S98 R99 E103 A104 E105 A184 Y189	G97-H101 PolarHBondContact O-N 2.93Å; S98-H101 WeakPolarHBondContact O-CB 3.27Å; S98-H101 PolarHBondContact O-N 3.43Å; R99-H101 VanDerWaalsContact C-N 3.27Å; R99-H101 PolarHBondContact O-N 3.31Å; H101-E103 VanDerWaalsContact C-N 3.33Å; H101-E103 PolarHBondContact O-N 3.04Å; H101-A104 PolarHBondContact O-N 3.28Å; H101-E105 IonicContact CE1-OE1 2.68Å; H101-E105 PolarHBondContact CE1-OE1 3.02Å; H101-E105 IonicContact CE1-OE2 3.37Å; H101-E105 IonicContact ND1-OE1 3.53Å; H101-E105 IonicContact ND1-OE2 3.84Å; H101-E105 PolarHBondContact O-N 3.3Å; H101-A184 VanDerWaalsContact CA-O 3.22Å; H101-A184 WeakPolarHBondContact CA-O 3.46Å; H101-A184 WeakPolarHBondContact CB-O 3.17Å; H101-A184 PolarHBondContact CD2-O 2.76Å; H101-Y189 HydrophobicContact CB-CD2 4.21Å; H101-Y189 HydrophobicContact CB-CE2 3.94Å; H101-Y189 AromaticContact CD2-CD1 3.34Å; H101-Y189 WeakPolarHBondContact CD2-CD1 3.37Å; H101-Y189 AromaticContact CD2-CD2 3.72Å; H101-Y189 AromaticContact CD2-CE1 3.74Å; H101-Y189 AromaticContact CD2-CG 3.32Å; H101-Y189 AromaticContact CG-CE1 3.97Å; H101-Y189 AromaticContact CG-CZ 3.99Å; H101-Y189 AromaticContact NE2-CD1 3.37Å; H101-Y189 WeakPolarHBondContact NE2-CD1 3.31Å; H101-Y189 AromaticContact NE2-CE1 3.81Å; H101-Y189 AromaticContact NE2-CG 3.8Å
102	E	82.2	Confident	70.9	Confident	77 Å²	77	69.1 Å²	69.1	36%	0.36	36%	0.36	S	S	.	.	H	α-helix	trans	-62.9	-36.9	177.4	-71.7	167.5	-169.9	0	0	112.5	S98 R99 N106 R538	S98-E102 WeakPolarHBondContact O-CG 3.38Å; S98-E102 PolarHBondContact O-N 3Å; R99-E102 PolarHBondContact O-N 3.36Å; E102-N106 WeakPolarHBondContact O-CB 3.35Å; E102-N106 VanDerWaalsContact O-CG 3.28Å; E102-N106 PolarHBondContact O-N 3.44Å; E102-N106 VanDerWaalsContact O-N 3.07Å; E102-N106 PolarHBondContact O-ND2 3.41Å; E102-R538 IonicContact OE1-CZ 3.1Å; E102-R538 IonicContact OE1-NE 3.7Å; E102-R538 IonicContact OE1-NH1 2.71Å; E102-R538 PolarHBondContact OE1-NH1 3.35Å; E102-R538 IonicContact OE2-NH1 3.35Å; E102-R538 PolarHBondContact OE2-NH1 3.34Å
103	E	81.5	Confident	68.7	Low	80 Å²	80	77.6 Å²	77.6	37%	0.374	40%	0.395	S	S	.	.	H	α-helix	trans	-67	-37.1	175.5	-75.5	178.5	-177	0	0	112.2	R99 H101 N107	R99-E103 HydrophobicContact CG-CG 4.47Å; R99-E103 IonicContact CZ-OE1 3.25Å; R99-E103 IonicContact NE-OE1 3.76Å; R99-E103 PolarHBondContact NE-OE1 3.09Å; R99-E103 IonicContact NH2-OE1 2.74Å; R99-E103 PolarHBondContact NH2-OE1 2.94Å; R99-E103 WeakPolarHBondContact O-CG 3.46Å; R99-E103 PolarHBondContact O-N 3.32Å; H101-E103 VanDerWaalsContact C-N 3.33Å; H101-E103 PolarHBondContact O-N 3.04Å; E103-N107 WeakPolarHBondContact O-CB 3.17Å; E103-N107 PolarHBondContact O-N 3.34Å; E103-N107 VanDerWaalsContact O-N 3.13Å; E103-N107 PolarHBondContact O-ND2 3.22Å
104	A	77.8	Confident	66.9	Low	34 Å²	34	80.5 Å²	80.5	28%	0.281	41%	0.414	S	S	.	.	H	α-helix	trans	-67	-46.2	175.9	0	0	0	0	0	111.9	E100 H101 N106 N107 E108 A184	E100-A104 WeakPolarHBondContact O-CB 3.39Å; E100-A104 PolarHBondContact O-N 3Å; H101-A104 PolarHBondContact O-N 3.28Å; A104-N106 VanDerWaalsContact C-N 3.33Å; A104-N106 PolarHBondContact O-N 3.06Å; A104-N107 PolarHBondContact O-N 3.31Å; A104-E108 PolarHBondContact O-N 3.49Å; A104-A184 HydrophobicContact CB-CB 3.54Å
105	E	76.6	Confident	64.8	Low	112 Å²	112	87.4 Å²	87.4	52%	0.523	46%	0.456	S	S	.	.	H	α-helix	trans	-61.9	-39.7	177	-71.9	-175.6	148	0	0	112	H101 N107 E108	H101-E105 IonicContact CE1-OE1 2.68Å; H101-E105 PolarHBondContact CE1-OE1 3.02Å; H101-E105 IonicContact CE1-OE2 3.37Å; H101-E105 IonicContact ND1-OE1 3.53Å; H101-E105 IonicContact ND1-OE2 3.84Å; H101-E105 PolarHBondContact O-N 3.3Å; E105-N107 PolarHBondContact O-N 3.49Å; E105-E108 PolarHBondContact O-N 3.47Å
106	N	77.9	Confident	63.2	Low	120 Å²	120	93.8 Å²	93.8	64%	0.642	49%	0.485	S	S	*	.	H	α-helix	trans	-68.7	-32.9	178.1	-76.9	-46.2	0	0	0	113.4	E102 A104 G109	E102-N106 WeakPolarHBondContact O-CB 3.35Å; E102-N106 VanDerWaalsContact O-CG 3.28Å; E102-N106 PolarHBondContact O-N 3.44Å; E102-N106 VanDerWaalsContact O-N 3.07Å; E102-N106 PolarHBondContact O-ND2 3.41Å; A104-N106 VanDerWaalsContact C-N 3.33Å; A104-N106 PolarHBondContact O-N 3.06Å; N106-G109 PolarHBondContact O-N 3.29Å
107	N	67.9	Low	61.9	Low	83 Å²	83	96.8 Å²	96.8	44%	0.444	51%	0.512	S	S	.	.	H	α-helix	trans	-73.8	-27.6	178.4	-78.3	-31	0	0	0	112.7	E103 A104 E105 G109	E103-N107 WeakPolarHBondContact O-CB 3.17Å; E103-N107 PolarHBondContact O-N 3.34Å; E103-N107 VanDerWaalsContact O-N 3.13Å; E103-N107 PolarHBondContact O-ND2 3.22Å; A104-N107 PolarHBondContact O-N 3.31Å; E105-N107 PolarHBondContact O-N 3.49Å; N107-G109 VanDerWaalsContact C-N 3.29Å
108	E	59.3	Low	61	Low	182 Å²	182	100.9 Å²	100.9	85%	0.85	54%	0.537	S	S	*	.	H	α-helix	trans	-70.7	-25.7	173.6	-69.9	-169.7	159.8	0	0	112.4	A104 E105	A104-E108 PolarHBondContact O-N 3.49Å; E105-E108 PolarHBondContact O-N 3.47Å
109	G	52	Low	60.6	Low	74 Å²	74	108.3 Å²	108.3	76%	0.763	57%	0.565	S	S	*	*	S	Bend	trans	-93	-5.8	-178.8	0	0	0	0	0	116.8	N106 N107	N106-G109 PolarHBondContact O-N 3.29Å; N107-G109 VanDerWaalsContact C-N 3.29Å
110	G	42.1	Very low	60.4	Low	39 Å²	39	104.8 Å²	104.8	40%	0.402	55%	0.553	S	S	.	*	S	Bend	trans	-139.5	131.7	-170	0	0	0	0	0	114.9	K112	G110-K112 PolarHBondContact O-N 2.96Å
111	K	39.2	Very low	60.8	Low	227 Å²	227	103.6 Å²	103.6	99%	0.987	56%	0.558	S	S	*	*			trans	-65.4	47.3	174	-69.8	-177.8	175	177.6	0	114.4
112	K	40.6	Very low	61.2	Low	174 Å²	174	105.2 Å²	105.2	76%	0.757	57%	0.569	S	S	*	*			trans	-102.9	113.7	165.9	-76.5	-174.7	177	178.4	0	107.8	G110 P114	G110-K112 PolarHBondContact O-N 2.96Å; K112-P114 WeakPolarHBondContact O-CD 3.38Å; K112-P114 VanDerWaalsContact O-N 3.08Å
113	K	33.5	Very low	61.7	Low	208 Å²	208	107.1 Å²	107.1	90%	0.904	58%	0.577	S	S	*	*			trans	-57.3	108.7	164.7	-75.8	-178.8	175.4	-178.4	0	107.3
114	P	39.7	Very low	61.9	Low	68 Å²	68	104.6 Å²	104.6	44%	0.442	57%	0.565	S	S	.	*			trans	-77.3	134.8	168.8	24.3	-12	0	0	0	107	K112 Q116	K112-P114 WeakPolarHBondContact O-CD 3.38Å; K112-P114 VanDerWaalsContact O-N 3.08Å; P114-Q116 PolarHBondContact O-N 3.46Å
115	V	36.1	Very low	62.3	Low	149 Å²	149	103 Å²	103	90%	0.903	55%	0.551	S	S	*	*			trans	-54.6	105.4	163.7	175.8	0	0	0	0	106.1	A117	V115-A117 PolarHBondContact O-N 3.29Å
116	Q	44.6	Very low	63	Low	145 Å²	145	97.6 Å²	97.6	68%	0.678	53%	0.527	S	S	*	.			trans	-71.8	112.8	-174	-70.9	-176.5	0.5	0	0	108.7	P114	P114-Q116 PolarHBondContact O-N 3.46Å
117	A	50.5	Low	63.8	Low	75 Å²	75	94 Å²	94	62%	0.62	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-56.9	143.9	163.9	0	0	0	0	0	109	V115 R119	V115-A117 PolarHBondContact O-N 3.29Å; A117-R119 PolarHBondContact O-N 3.36Å
118	P	54.7	Low	64.9	Low	93 Å²	93	90.7 Å²	90.7	60%	0.604	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-58.6	116.5	-179.6	22.5	-31.8	0	0	0	109.8
119	R	71.3	Confident	66.3	Low	155 Å²	155	82.1 Å²	82.1	59%	0.585	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-65.5	138.5	-179.9	-65.7	-167.9	179	179.4	-5.1	110.7	A117 D446 R448	A117-R119 PolarHBondContact O-N 3.36Å; R119-D446 CarbonylContact C-O 3.58Å; R119-D446 WeakPolarHBondContact CA-O 3.33Å; R119-R448 HydrophobicContact CB-CB 4.02Å
120	M	79.6	Confident	68.2	Low	29 Å²	29	78.6 Å²	78.6	14%	0.143	41%	0.41	C	S	.	.	B	Isolated β-bridge	trans	-78.5	147.8	-179.1	-60.3	-168.2	-176.9	0	0	111.6	N90 T92 D446 L447 R448	N90-M120 WeakPolarHBondContact O-CE 3.44Å; T92-M120 HydrophobicContact CG2-CE 4.02Å; M120-D446 PolarHBondContact N-O 2.98Å; M120-L447 HydrophobicContact CB-CD2 4.28Å; M120-R448 PolarHBondContact O-N 2.85Å
121	G	87.2	Confident	70.6	Confident	40 Å²	40	77.2 Å²	77.2	41%	0.412	39%	0.394	S	S	.	.			trans	-91.5	179.1	169.6	0	0	0	0	0	112.8	F123 G125	G121-F123 VanDerWaalsContact C-N 3.34Å; G121-F123 PolarHBondContact O-N 2.77Å; G121-G125 WeakPolarHBondContact O-CA 3.44Å; G121-G125 PolarHBondContact O-N 2.62Å
122	T	91.6	Very high	73	Confident	45 Å²	45	67 Å²	67	28%	0.276	35%	0.349	S	S	.	.	H	α-helix	trans	-53.8	-44	-179.6	-49.9	0	0	0	0	113.9	V126 Y127 S453 T456	T122-V126 WeakPolarHBondContact O-CB 3.46Å; T122-V126 PolarHBondContact O-N 3.01Å; T122-Y127 PolarHBondContact O-N 3.3Å; T122-S453 PolarHBondContact OG1-OG 2.78Å; T122-T456 VanDerWaalsContact CG2-OG1 3.3Å; T122-T456 WeakPolarHBondContact CG2-OG1 3.43Å
123	F	91	Very high	75.3	Confident	118 Å²	118	60.1 Å²	60.1	52%	0.518	32%	0.321	S	S	.	.	I	π-helix	trans	-67.2	-57.6	-173.3	-175.8	-104.8	0	0	0	112.4	G121 Y127 L128	G121-F123 VanDerWaalsContact C-N 3.34Å; G121-F123 PolarHBondContact O-N 2.77Å; F123-Y127 AromaticContact CD2-CD1 3.57Å; F123-Y127 HydrophobicContact CD2-CD1 3.57Å; F123-Y127 HydrophobicContact CD2-CE1 4.17Å; F123-Y127 HydrophobicContact CD2-CG 4.31Å; F123-Y127 AromaticContact CE2-CD1 3.5Å; F123-Y127 HydrophobicContact CE2-CD1 3.5Å; F123-Y127 VanDerWaalsContact CE2-CD1 3.5Å; F123-Y127 AromaticContact CE2-CE1 3.67Å; F123-Y127 HydrophobicContact CE2-CE1 3.67Å; F123-Y127 HydrophobicContact CZ-CD1 4.45Å; F123-Y127 PolarHBondContact O-N 3.01Å; F123-L128 HydrophobicContact CD1-CD1 4.17Å; F123-L128 HydrophobicContact CD1-CG 4.35Å; F123-L128 HydrophobicContact CE1-CD1 3.74Å; F123-L128 HydrophobicContact CE1-CD2 4.2Å; F123-L128 HydrophobicContact CE1-CG 4.02Å; F123-L128 HydrophobicContact CE2-CD2 4.19Å; F123-L128 HydrophobicContact CE2-CG 4.48Å; F123-L128 HydrophobicContact CZ-CD1 4.21Å; F123-L128 HydrophobicContact CZ-CD2 3.8Å; F123-L128 HydrophobicContact CZ-CG 4.09Å; F123-L128 PolarHBondContact O-N 2.85Å
124	M	85.9	Confident	78.2	Confident	26 Å²	26	50.3 Å²	50.3	13%	0.128	28%	0.278	C	S	.	.	I	π-helix	trans	-73.8	-32.8	-179.8	-71.7	-62.8	-163.2	0	0	113.5	L88 Y91 L128 P129 R443	L88-M124 HydrophobicContact CD2-CE 3.42Å; L88-M124 VanDerWaalsContact CD2-CE 3.42Å; L88-M124 HydrophobicContact CD2-SD 4.38Å; L88-M124 HydrophobicContact CG-CE 3.53Å; Y91-M124 HydrophobicContact CD2-SD 4.46Å; M124-L128 HydrophobicContact SD-CD1 3.56Å; M124-L128 VanDerWaalsContact SD-CD1 3.56Å; M124-P129 WeakPolarHBondContact O-CD 3.42Å; M124-P129 WeakPolarHBondContact O-CG 3.46Å; M124-R443 PolarHBondContact O-NH1 3.2Å
125	G	86	Confident	80.6	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.258	C	S	.	.	I	π-helix	trans	-88.4	-27.6	-171.6	0	0	0	0	0	115	G121	G121-G125 WeakPolarHBondContact O-CA 3.44Å; G121-G125 PolarHBondContact O-N 2.62Å
126	V	92.3	Very high	82.9	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.217	C	C	.	.	I	π-helix	trans	-128.8	-51	-174.2	-177	0	0	0	0	112.3	T122 P129 C130 L447 I454	T122-V126 WeakPolarHBondContact O-CB 3.46Å; T122-V126 PolarHBondContact O-N 3.01Å; V126-P129 WeakPolarHBondContact O-CD 3.47Å; V126-C130 WeakPolarHBondContact O-CB 3.28Å; V126-C130 PolarHBondContact O-N 3.42Å; V126-L447 HydrophobicContact CG2-CD1 3.6Å; V126-L447 HydrophobicContact CG2-CD2 3.76Å; V126-L447 HydrophobicContact CG2-CG 4.35Å; V126-I454 HydrophobicContact CG2-CG1 4.41Å
127	Y	94.3	Very high	85.1	Confident	44 Å²	44	33.6 Å²	33.6	17%	0.173	19%	0.185	C	C	.	.	I	π-helix	trans	-65.8	-57.5	-173.8	174.8	-101	0	0	0	113.2	T122 F123 C130 L131 L460 A461 T464	T122-Y127 PolarHBondContact O-N 3.3Å; F123-Y127 AromaticContact CD2-CD1 3.57Å; F123-Y127 HydrophobicContact CD2-CD1 3.57Å; F123-Y127 HydrophobicContact CD2-CE1 4.17Å; F123-Y127 HydrophobicContact CD2-CG 4.31Å; F123-Y127 AromaticContact CE2-CD1 3.5Å; F123-Y127 HydrophobicContact CE2-CD1 3.5Å; F123-Y127 VanDerWaalsContact CE2-CD1 3.5Å; F123-Y127 AromaticContact CE2-CE1 3.67Å; F123-Y127 HydrophobicContact CE2-CE1 3.67Å; F123-Y127 HydrophobicContact CZ-CD1 4.45Å; F123-Y127 PolarHBondContact O-N 3.01Å; Y127-C130 PolarHBondContact O-N 3.4Å; Y127-L131 HydrophobicContact CE1-CD1 4.06Å; Y127-L131 WeakPolarHBondContact O-CB 3.37Å; Y127-L131 PolarHBondContact O-N 2.96Å; Y127-L460 HydrophobicContact CD2-CB 4Å; Y127-L460 HydrophobicContact CE2-CB 4.12Å; Y127-A461 HydrophobicContact CD2-CB 3.91Å; Y127-A461 HydrophobicContact CE2-CB 4.23Å; Y127-T464 WeakPolarHBondContact OH-CG2 3.26Å; Y127-T464 PolarHBondContact OH-OG1 3.09Å
128	L	91.4	Very high	87.1	Confident	14 Å²	14	30.1 Å²	30.1	7%	0.073	16%	0.156	C	C	.	.	H	α-helix	trans	-61.7	-42.3	179.2	-64.5	-178.5	0	0	0	113.3	Y91 F123 M124 C130 L131 Q132 L283	Y91-L128 HydrophobicContact CE2-CB 3.99Å; Y91-L128 HydrophobicContact CE2-CD1 4.48Å; F123-L128 HydrophobicContact CD1-CD1 4.17Å; F123-L128 HydrophobicContact CD1-CG 4.35Å; F123-L128 HydrophobicContact CE1-CD1 3.74Å; F123-L128 HydrophobicContact CE1-CD2 4.2Å; F123-L128 HydrophobicContact CE1-CG 4.02Å; F123-L128 HydrophobicContact CE2-CD2 4.19Å; F123-L128 HydrophobicContact CE2-CG 4.48Å; F123-L128 HydrophobicContact CZ-CD1 4.21Å; F123-L128 HydrophobicContact CZ-CD2 3.8Å; F123-L128 HydrophobicContact CZ-CG 4.09Å; F123-L128 PolarHBondContact O-N 2.85Å; M124-L128 HydrophobicContact SD-CD1 3.56Å; M124-L128 VanDerWaalsContact SD-CD1 3.56Å; L128-C130 PolarHBondContact O-N 2.7Å; L128-L131 PolarHBondContact O-N 2.76Å; L128-Q132 WeakPolarHBondContact O-CB 3.42Å; L128-Q132 PolarHBondContact O-N 3.31Å; L128-L283 HydrophobicContact CB-CD2 4.05Å; L128-L283 HydrophobicContact CD1-CD2 4.06Å; L128-L283 HydrophobicContact CD2-CD2 4.21Å; L128-L283 HydrophobicContact CG-CD2 4.35Å
129	P	89	Confident	88.9	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.006	13%	0.128	C	C	.	.	H	α-helix	trans	-62.6	-41.8	176.4	-25.5	38	0	0	0	112.4	Y91 M124 V126 Q132 N133 R443	Y91-P129 HydrophobicContact CE2-CG 4.1Å; M124-P129 WeakPolarHBondContact O-CD 3.42Å; M124-P129 WeakPolarHBondContact O-CG 3.46Å; V126-P129 WeakPolarHBondContact O-CD 3.47Å; P129-Q132 PolarHBondContact O-N 3.5Å; P129-N133 PolarHBondContact O-N 3.49Å; P129-N133 PolarHBondContact O-ND2 2.96Å; P129-R443 VanDerWaalsContact CB-NH2 3.33Å; P129-R443 VanDerWaalsContact CG-NH1 3.32Å
130	C	92.2	Very high	89.9	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-63.1	-45.5	175.5	-167.8	0	0	0	0	111.1	V126 Y127 L128 Q132 N133 I134 A461	V126-C130 WeakPolarHBondContact O-CB 3.28Å; V126-C130 PolarHBondContact O-N 3.42Å; Y127-C130 PolarHBondContact O-N 3.4Å; L128-C130 PolarHBondContact O-N 2.7Å; C130-Q132 PolarHBondContact O-N 3.18Å; C130-N133 PolarHBondContact O-N 3.12Å; C130-I134 VanDerWaalsContact O-CG1 3.3Å; C130-I134 WeakPolarHBondContact O-CG1 3.43Å; C130-I134 PolarHBondContact O-N 3.05Å; C130-I134 VanDerWaalsContact O-N 3.08Å; C130-A461 HydrophobicContact CB-CB 3.63Å
131	L	92	Very high	90.6	Very high	11 Å²	11	17.3 Å²	17.3	6%	0.058	10%	0.095	C	C	.	.	H	α-helix	trans	-61.2	-42.2	178.5	-173.6	148.5	0	0	0	112.2	Y127 L128 N133 I134 F135 L283 T464	Y127-L131 HydrophobicContact CE1-CD1 4.06Å; Y127-L131 WeakPolarHBondContact O-CB 3.37Å; Y127-L131 PolarHBondContact O-N 2.96Å; L128-L131 PolarHBondContact O-N 2.76Å; L131-N133 VanDerWaalsContact C-N 3.27Å; L131-N133 PolarHBondContact O-N 3.31Å; L131-I134 PolarHBondContact O-N 3.31Å; L131-F135 HydrophobicContact CD1-CE2 4.12Å; L131-F135 HydrophobicContact CD2-CD2 3.5Å; L131-F135 VanDerWaalsContact CD2-CD2 3.5Å; L131-F135 HydrophobicContact CD2-CE2 3.54Å; L131-F135 HydrophobicContact CG-CD2 3.81Å; L131-F135 HydrophobicContact CG-CE2 3.56Å; L131-F135 WeakPolarHBondContact O-CD2 3.46Å; L131-F135 PolarHBondContact O-N 3.29Å; L131-F135 VanDerWaalsContact O-N 3.14Å; L131-L283 HydrophobicContact CD2-CD1 3.93Å; L131-T464 HydrophobicContact CD1-CG2 4.2Å
132	Q	90.4	Very high	90.9	Very high	12 Å²	12	15.5 Å²	15.5	6%	0.056	8%	0.075	C	C	.	.	H	α-helix	trans	-64.7	-29.7	177.9	-169.7	167.5	-0.8	0	0	113.4	Y91 N93 L128 P129 C130 A279 L283	Y91-Q132 PolarHBondContact OH-OE1 2.94Å; N93-Q132 PolarHBondContact ND2-NE2 2.94Å; N93-Q132 PolarHBondContact ND2-OE1 3.41Å; L128-Q132 WeakPolarHBondContact O-CB 3.42Å; L128-Q132 PolarHBondContact O-N 3.31Å; P129-Q132 PolarHBondContact O-N 3.5Å; C130-Q132 PolarHBondContact O-N 3.18Å; Q132-A279 PolarHBondContact NE2-O 2.97Å; Q132-L283 HydrophobicContact CB-CD1 4.11Å; Q132-L283 HydrophobicContact CG-CD1 4.42Å
133	N	89	Confident	91	Very high	29 Å²	29	13.4 Å²	13.4	16%	0.155	6%	0.063	C	C	.	.	H	α-helix	trans	-86.4	-27.7	-179.6	-82.5	-84.8	0	0	0	113.7	P129 C130 L131 A439 Q524	P129-N133 PolarHBondContact O-N 3.49Å; P129-N133 PolarHBondContact O-ND2 2.96Å; C130-N133 PolarHBondContact O-N 3.12Å; L131-N133 VanDerWaalsContact C-N 3.27Å; L131-N133 PolarHBondContact O-N 3.31Å; N133-A439 HydrophobicContact CB-CB 3.65Å; N133-A439 VanDerWaalsContact CG-CB 3.46Å; N133-A439 WeakPolarHBondContact ND2-CB 3.09Å; N133-Q524 PolarHBondContact ND2-NE2 3.01Å; N133-Q524 PolarHBondContact ND2-OE1 3.16Å; N133-Q524 PolarHBondContact OD1-NE2 2.86Å; N133-Q524 PolarHBondContact OD1-OE1 2.68Å
134	I	92.6	Very high	91.2	Very high	2 Å²	2	8.1 Å²	8.1	1%	0.01	4%	0.04	C	C	.	.	H	α-helix	trans	-77.6	-44.2	177.7	-65.1	164.8	0	0	0	110.2	C130 L131 G136 S433 T435 I437 I462 T465 Y469	C130-I134 VanDerWaalsContact O-CG1 3.3Å; C130-I134 WeakPolarHBondContact O-CG1 3.43Å; C130-I134 PolarHBondContact O-N 3.05Å; C130-I134 VanDerWaalsContact O-N 3.08Å; L131-I134 PolarHBondContact O-N 3.31Å; I134-G136 PolarHBondContact O-N 3.46Å; I134-G136 VanDerWaalsContact O-N 3.13Å; I134-S433 VanDerWaalsContact CG2-O 3.31Å; I134-S433 WeakPolarHBondContact CG2-O 3.27Å; I134-S433 VanDerWaalsContact O-O 3.07Å; I134-T435 WeakPolarHBondContact CA-O 3.43Å; I134-T435 WeakPolarHBondContact CG1-O 3.35Å; I134-I437 HydrophobicContact CD1-CG2 4.43Å; I134-I462 HydrophobicContact CD1-CG1 4.22Å; I134-T465 HydrophobicContact CB-CG2 3.9Å; I134-T465 HydrophobicContact CD1-CG2 4.1Å; I134-T465 HydrophobicContact CG2-CG2 3.61Å; I134-Y469 HydrophobicContact CG2-CE2 4.14Å; I134-Y469 PolarHBondContact O-OH 2.94Å; I134-Y469 VanDerWaalsContact O-OH 3.11Å
135	F	91.6	Very high	91.6	Very high	7 Å²	7	7.1 Å²	7.1	3%	0.031	4%	0.035	C	C	.	.	S	Bend	trans	-69.9	113.5	176.5	-71.7	-47.8	0	0	0	110.9	L131 L139 V286 I290 T465 V468 Y469	L131-F135 HydrophobicContact CD1-CE2 4.12Å; L131-F135 HydrophobicContact CD2-CD2 3.5Å; L131-F135 VanDerWaalsContact CD2-CD2 3.5Å; L131-F135 HydrophobicContact CD2-CE2 3.54Å; L131-F135 HydrophobicContact CG-CD2 3.81Å; L131-F135 HydrophobicContact CG-CE2 3.56Å; L131-F135 WeakPolarHBondContact O-CD2 3.46Å; L131-F135 PolarHBondContact O-N 3.29Å; L131-F135 VanDerWaalsContact O-N 3.14Å; F135-L139 HydrophobicContact CD1-CD2 3.93Å; F135-L139 HydrophobicContact CE1-CD2 4.27Å; F135-V286 HydrophobicContact CB-CG1 3.73Å; F135-V286 HydrophobicContact CD2-CG1 3.83Å; F135-V286 HydrophobicContact CG-CG1 4Å; F135-I290 HydrophobicContact CD1-CD1 4.07Å; F135-I290 HydrophobicContact CD2-CD1 3.87Å; F135-I290 HydrophobicContact CE1-CD1 3.87Å; F135-I290 HydrophobicContact CE2-CD1 3.64Å; F135-I290 HydrophobicContact CG-CD1 4.08Å; F135-I290 HydrophobicContact CZ-CD1 3.66Å; F135-T465 HydrophobicContact CD1-CG2 4.44Å; F135-T465 HydrophobicContact CD2-CG2 4.48Å; F135-T465 HydrophobicContact CE1-CG2 3.97Å; F135-T465 HydrophobicContact CE2-CG2 4.04Å; F135-T465 HydrophobicContact CZ-CG2 3.75Å; F135-V468 HydrophobicContact CE1-CB 4.15Å; F135-V468 HydrophobicContact CE1-CG1 3.92Å; F135-V468 HydrophobicContact CZ-CB 4.1Å; F135-V468 HydrophobicContact CZ-CG1 4.12Å; F135-V468 HydrophobicContact CZ-CG2 4.1Å; F135-Y469 HydrophobicContact CD1-CE1 4.13Å; F135-Y469 HydrophobicContact CE1-CE1 4.16Å
136	G	84.4	Confident	92	Very high	3 Å²	3	7.1 Å²	7.1	3%	0.031	4%	0.035	C	C	.	.			trans	-133.1	-168.7	-177.3	0	0	0	0	0	113.3	I134 I138 L139	I134-G136 PolarHBondContact O-N 3.46Å; I134-G136 VanDerWaalsContact O-N 3.13Å; G136-I138 PolarHBondContact O-N 3.29Å; G136-L139 PolarHBondContact O-N 3.28Å
137	V	90.2	Very high	92.2	Very high	1 Å²	1	7.2 Å²	7.2	1%	0.006	4%	0.035	C	C	.	.	H	α-helix	trans	-56.8	-34.1	-177.4	64.4	0	0	0	0	114.1	L139 F140 L141 M217 Y218 T518 L577	V137-L139 VanDerWaalsContact C-N 3.28Å; V137-L139 PolarHBondContact O-N 2.92Å; V137-F140 PolarHBondContact O-N 3.35Å; V137-F140 VanDerWaalsContact O-N 3.12Å; V137-L141 HydrophobicContact CG2-CB 4.1Å; V137-L141 HydrophobicContact CG2-CD1 3.25Å; V137-L141 HydrophobicContact CG2-CG 3.79Å; V137-L141 PolarHBondContact O-N 2.9Å; V137-M217 HydrophobicContact CG1-CE 4.09Å; V137-M217 HydrophobicContact CG1-CG 4.44Å; V137-Y218 HydrophobicContact CB-CD1 4.36Å; V137-Y218 HydrophobicContact CG1-CD1 4.05Å; V137-Y218 HydrophobicContact CG1-CE1 4.24Å; V137-T518 HydrophobicContact CB-CG2 3.57Å; V137-T518 HydrophobicContact CG2-CG2 3.73Å; V137-L577 HydrophobicContact CG1-CD1 4.36Å; V137-L577 HydrophobicContact CG2-CD1 4.26Å
138	I	93.1	Very high	92.2	Very high	2 Å²	2	5.4 Å²	5.4	1%	0.01	3%	0.03	C	C	.	.	H	α-helix	trans	-62.5	-34.7	-173.2	-58.1	-59.4	0	0	0	111.9	G136 F140 R142 L143 M217 Y430 P432 L577	G136-I138 PolarHBondContact O-N 3.29Å; I138-F140 VanDerWaalsContact C-N 3.28Å; I138-F140 PolarHBondContact O-N 3.32Å; I138-R142 HydrophobicContact CD1-CB 4.43Å; I138-R142 HydrophobicContact CD1-CG 4.27Å; I138-R142 HydrophobicContact CG2-CB 4.19Å; I138-R142 CarbonylContact O-C 3.49Å; I138-R142 PolarHBondContact O-N 3.2Å; I138-R142 VanDerWaalsContact O-N 3.11Å; I138-L143 PolarHBondContact O-N 3.47Å; I138-M217 HydrophobicContact CD1-SD 4.48Å; I138-Y430 HydrophobicContact CG2-CD2 4.35Å; I138-P432 HydrophobicContact CG1-CB 4.43Å; I138-L577 HydrophobicContact CD1-CD2 4.03Å
139	L	92.7	Very high	92.3	Very high	3 Å²	3	4.8 Å²	4.8	2%	0.016	3%	0.027	C	C	.	.	H	α-helix	trans	-58.3	-42.1	176.8	176.8	57.4	0	0	0	111.7	F135 G136 V137 L143 I290 Y469	F135-L139 HydrophobicContact CD1-CD2 3.93Å; F135-L139 HydrophobicContact CE1-CD2 4.27Å; G136-L139 PolarHBondContact O-N 3.28Å; V137-L139 VanDerWaalsContact C-N 3.28Å; V137-L139 PolarHBondContact O-N 2.92Å; L139-L143 HydrophobicContact CD1-CD2 3.6Å; L139-L143 WeakPolarHBondContact O-CB 3.33Å; L139-I290 HydrophobicContact CD2-CD1 4.15Å; L139-I290 HydrophobicContact CD2-CG1 4.08Å; L139-Y469 HydrophobicContact CB-CE1 4.12Å; L139-Y469 HydrophobicContact CD1-CD1 3.96Å; L139-Y469 HydrophobicContact CD1-CE1 3.92Å; L139-Y469 HydrophobicContact CD2-CE1 4.29Å; L139-Y469 HydrophobicContact CG-CE1 4.33Å
140	F	92.5	Very high	92.6	Very high	1 Å²	1	4.7 Å²	4.7	0%	0.004	3%	0.027	C	C	.	.	H	α-helix	trans	-91.8	-39.7	-173.7	-57	-66.5	0	0	0	112.9	V137 I138 I290 I293 V499 I510	V137-F140 PolarHBondContact O-N 3.35Å; V137-F140 VanDerWaalsContact O-N 3.12Å; I138-F140 VanDerWaalsContact C-N 3.28Å; I138-F140 PolarHBondContact O-N 3.32Å; F140-I290 HydrophobicContact CZ-CG1 4.49Å; F140-I293 HydrophobicContact CD1-CD1 4.23Å; F140-I293 HydrophobicContact CE1-CD1 3.96Å; F140-V499 WeakPolarHBondContact O-CG1 3.39Å; F140-I510 HydrophobicContact CD1-CG2 3.92Å; F140-I510 HydrophobicContact CE1-CG2 4.5Å
141	L	92.5	Very high	92.7	Very high	5 Å²	5	4.8 Å²	4.8	3%	0.026	3%	0.027	C	C	.	.	H	α-helix	trans	-95	-24	-173	-74.6	-176.3	0	0	0	115.2	V137 E224 I225 Y229 L497	V137-L141 HydrophobicContact CG2-CB 4.1Å; V137-L141 HydrophobicContact CG2-CD1 3.25Å; V137-L141 HydrophobicContact CG2-CG 3.79Å; V137-L141 PolarHBondContact O-N 2.9Å; L141-E224 HydrophobicContact CD1-CB 4.44Å; L141-I225 HydrophobicContact CD1-CD1 4.2Å; L141-I225 HydrophobicContact CD1-CG1 3.98Å; L141-I225 HydrophobicContact CD2-CG1 3.87Å; L141-I225 HydrophobicContact CG-CD1 4.4Å; L141-I225 HydrophobicContact CG-CG1 4.23Å; L141-Y229 HydrophobicContact CD2-CE2 3.85Å; L141-L497 HydrophobicContact CD2-CD1 4.08Å
142	R	94.4	Very high	92.9	Very high	1 Å²	1	4.7 Å²	4.7	0%	0.004	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.3	-22.3	-168.1	-65.8	-63.8	-177	-90.6	-7.5	114.6	I138 T144 W145 V146 E224 L577 D578	I138-R142 HydrophobicContact CD1-CB 4.43Å; I138-R142 HydrophobicContact CD1-CG 4.27Å; I138-R142 HydrophobicContact CG2-CB 4.19Å; I138-R142 CarbonylContact O-C 3.49Å; I138-R142 PolarHBondContact O-N 3.2Å; I138-R142 VanDerWaalsContact O-N 3.11Å; R142-T144 VanDerWaalsContact C-N 3.34Å; R142-T144 PolarHBondContact O-N 3.1Å; R142-W145 WeakPolarHBondContact O-CB 3.25Å; R142-W145 PolarHBondContact O-N 3.24Å; R142-W145 VanDerWaalsContact O-N 3.12Å; R142-V146 WeakPolarHBondContact O-CG2 3.31Å; R142-V146 PolarHBondContact O-N 2.97Å; R142-E224 IonicContact CZ-OE1 2.82Å; R142-E224 IonicContact CZ-OE2 3.95Å; R142-E224 IonicContact NH1-OE1 3.26Å; R142-E224 PolarHBondContact NH1-OE1 3.26Å; R142-E224 IonicContact NH1-OE2 3.36Å; R142-E224 IonicContact NH2-OE1 2.85Å; R142-E224 PolarHBondContact NH2-OE1 3.46Å; R142-E224 VanDerWaalsContact NH2-OE1 3.1Å; R142-E224 IonicContact NH2-OE2 3.08Å; R142-E224 PolarHBondContact NH2-OE2 3.39Å; R142-L577 HydrophobicContact CG-CD2 4.36Å; R142-D578 IonicContact CZ-OD1 2.92Å; R142-D578 IonicContact NE-OD1 2.64Å; R142-D578 PolarHBondContact NE-OD1 3.4Å; R142-D578 IonicContact NE-OD2 3.93Å; R142-D578 IonicContact NH2-OD1 2.61Å; R142-D578 IonicContact NH2-OD2 3.24Å
143	L	93.9	Very high	93.1	Very high	2 Å²	2	9 Å²	9	1%	0.01	5%	0.048	C	C	.	.	H	α-helix	trans	-61.6	-40.4	-176.4	-172.6	58.2	0	0	0	112.6	I138 L139 W145 V146 V147 Y430 V473 F476	I138-L143 PolarHBondContact O-N 3.47Å; L139-L143 HydrophobicContact CD1-CD2 3.6Å; L139-L143 WeakPolarHBondContact O-CB 3.33Å; L143-W145 VanDerWaalsContact C-N 3.33Å; L143-W145 PolarHBondContact O-N 2.94Å; L143-V146 PolarHBondContact O-N 2.82Å; L143-V147 VanDerWaalsContact O-CG2 3.24Å; L143-V147 WeakPolarHBondContact O-CG2 3.49Å; L143-V147 PolarHBondContact O-N 3.42Å; L143-Y430 HydrophobicContact CD1-CD2 4.29Å; L143-Y430 HydrophobicContact CD1-CE2 3.93Å; L143-V473 HydrophobicContact CD1-CG2 3.98Å; L143-F476 HydrophobicContact CB-CE2 4.28Å; L143-F476 HydrophobicContact CD2-CD2 4.39Å; L143-F476 HydrophobicContact CD2-CE2 3.85Å; L143-F476 HydrophobicContact CG-CD2 4.24Å; L143-F476 HydrophobicContact CG-CE2 4.02Å
144	T	94.6	Very high	93.4	Very high	6 Å²	6	10.8 Å²	10.8	4%	0.037	6%	0.056	C	C	.	.	H	α-helix	trans	-60.7	-43	174.9	49.3	0	0	0	0	111.7	R142 V147 G148 F476 I480 L485 V498 V499	R142-T144 VanDerWaalsContact C-N 3.34Å; R142-T144 PolarHBondContact O-N 3.1Å; T144-V147 PolarHBondContact O-N 3.25Å; T144-G148 PolarHBondContact O-N 2.88Å; T144-F476 HydrophobicContact CG2-CD2 3.78Å; T144-F476 HydrophobicContact CG2-CE2 3.96Å; T144-F476 HydrophobicContact CG2-CG 4.18Å; T144-I480 HydrophobicContact CG2-CD1 4.5Å; T144-L485 HydrophobicContact CG2-CD2 4.33Å; T144-V498 HydrophobicContact CG2-CG1 4.06Å; T144-V499 HydrophobicContact CG2-CB 3.99Å
145	W	94.9	Very high	93.5	Very high	5 Å²	5	10.8 Å²	10.8	2%	0.019	6%	0.055	C	C	.	.	H	α-helix	trans	-64.6	-44.5	177.3	-178.6	71	0	0	0	112.9	R142 L143 V147 G148 I149 M419 S421 L426 I429 L485 K488	R142-W145 WeakPolarHBondContact O-CB 3.25Å; R142-W145 PolarHBondContact O-N 3.24Å; R142-W145 VanDerWaalsContact O-N 3.12Å; L143-W145 VanDerWaalsContact C-N 3.33Å; L143-W145 PolarHBondContact O-N 2.94Å; W145-V147 VanDerWaalsContact C-N 3.31Å; W145-V147 PolarHBondContact O-N 2.73Å; W145-G148 PolarHBondContact O-N 3.13Å; W145-G148 VanDerWaalsContact O-N 3.17Å; W145-I149 HydrophobicContact CD2-CG1 4.38Å; W145-I149 HydrophobicContact CZ2-CG1 4.23Å; W145-I149 WeakPolarHBondContact O-CG1 3.36Å; W145-I149 PolarHBondContact O-N 3.26Å; W145-M419 HydrophobicContact CH2-CE 4.45Å; W145-M419 HydrophobicContact CH2-CG 3.98Å; W145-M419 HydrophobicContact CH2-SD 3.78Å; W145-M419 HydrophobicContact CZ2-CG 4.01Å; W145-M419 HydrophobicContact CZ2-SD 4.37Å; W145-S421 WeakPolarHBondContact CZ2-OG 3.37Å; W145-L426 HydrophobicContact CE3-CD2 4.26Å; W145-L426 HydrophobicContact CH2-CD2 3.84Å; W145-L426 HydrophobicContact CZ3-CD2 3.56Å; W145-I429 HydrophobicContact CH2-CD1 4.38Å; W145-I429 HydrophobicContact CZ3-CD1 3.99Å; W145-L485 VanDerWaalsContact CA-O 3.27Å; W145-L485 WeakPolarHBondContact CA-O 3.5Å; W145-K488 HydrophobicContact CG-CB 4.36Å
146	V	95	Very high	93.7	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.006	7%	0.071	C	C	.	.	H	α-helix	trans	-57.7	-45.7	174.4	172.8	0	0	0	0	110.7	R142 L143 G148 I149 A150 S155 M158 L426	R142-V146 WeakPolarHBondContact O-CG2 3.31Å; R142-V146 PolarHBondContact O-N 2.97Å; L143-V146 PolarHBondContact O-N 2.82Å; V146-G148 PolarHBondContact O-N 2.71Å; V146-I149 PolarHBondContact O-N 2.94Å; V146-A150 WeakPolarHBondContact O-CB 3.39Å; V146-A150 PolarHBondContact O-N 3Å; V146-S155 PolarHBondContact O-OG 3.34Å; V146-M158 HydrophobicContact CG1-CE 3.33Å; V146-M158 HydrophobicContact CG1-SD 4.32Å; V146-L426 HydrophobicContact CG2-CD2 4.42Å
147	V	95.7	Very high	94.2	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.006	9%	0.09	C	C	.	.	H	α-helix	trans	-64.5	-38.5	177.2	176.5	0	0	0	0	111.9	L143 T144 W145 G151 I152 S155 V473 L485	L143-V147 VanDerWaalsContact O-CG2 3.24Å; L143-V147 WeakPolarHBondContact O-CG2 3.49Å; L143-V147 PolarHBondContact O-N 3.42Å; T144-V147 PolarHBondContact O-N 3.25Å; W145-V147 VanDerWaalsContact C-N 3.31Å; W145-V147 PolarHBondContact O-N 2.73Å; V147-G151 CarbonylContact O-C 3.53Å; V147-G151 WeakPolarHBondContact O-CA 3.38Å; V147-G151 PolarHBondContact O-N 3.16Å; V147-I152 HydrophobicContact CG1-CG1 4.42Å; V147-S155 WeakPolarHBondContact CA-OG 3.28Å; V147-V473 HydrophobicContact CG2-CB 4.19Å; V147-V473 HydrophobicContact CG2-CG1 4.09Å; V147-V473 HydrophobicContact CG2-CG2 3.97Å; V147-L485 HydrophobicContact CG1-CD1 4.35Å
148	G	93.7	Very high	94.4	Very high	7 Å²	7	17.2 Å²	17.2	7%	0.072	9%	0.09	C	C	.	.	H	α-helix	trans	-66.3	-38.3	177.7	0	0	0	0	0	114	T144 W145 V146 R486	T144-G148 PolarHBondContact O-N 2.88Å; W145-G148 PolarHBondContact O-N 3.13Å; W145-G148 VanDerWaalsContact O-N 3.17Å; V146-G148 PolarHBondContact O-N 2.71Å; G148-R486 VanDerWaalsContact O-CG 3.27Å; G148-R486 WeakPolarHBondContact O-CG 3.49Å
149	I	94.6	Very high	94.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-84.7	-48.1	-177	-62.7	-69.2	0	0	0	112	W145 V146 S383 S384 Y385 L386 L426 R486	W145-I149 HydrophobicContact CD2-CG1 4.38Å; W145-I149 HydrophobicContact CZ2-CG1 4.23Å; W145-I149 WeakPolarHBondContact O-CG1 3.36Å; W145-I149 PolarHBondContact O-N 3.26Å; V146-I149 PolarHBondContact O-N 2.94Å; I149-S383 CarbonylContact O-C 3.58Å; I149-S383 WeakPolarHBondContact O-CA 3.32Å; I149-S384 CarbonylContact O-C 3.59Å; I149-S384 PolarHBondContact O-N 2.89Å; I149-Y385 HydrophobicContact CG2-CD1 3.6Å; I149-Y385 HydrophobicContact CG2-CE1 3.91Å; I149-L386 HydrophobicContact CD1-CD1 4.18Å; I149-L426 HydrophobicContact CB-CD1 4.32Å; I149-L426 HydrophobicContact CG2-CD1 3.98Å; I149-R486 HydrophobicContact CD1-CB 4.36Å; I149-R486 HydrophobicContact CD1-CG 3.98Å
150	A	94.3	Very high	94.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-83.5	-17.6	-178	0	0	0	0	0	112.7	V146 E154 M158 S383 L426	V146-A150 WeakPolarHBondContact O-CB 3.39Å; V146-A150 PolarHBondContact O-N 3Å; A150-E154 HydrophobicContact CB-CB 4Å; A150-E154 WeakPolarHBondContact O-CB 3.45Å; A150-M158 HydrophobicContact CB-CE 4.34Å; A150-S383 VanDerWaalsContact O-CA 3.3Å; A150-S383 WeakPolarHBondContact O-CA 3.37Å; A150-S383 WeakPolarHBondContact O-CB 3.3Å; A150-S383 PolarHBondContact O-N 3Å; A150-L426 HydrophobicContact CB-CD1 3.79Å
151	G	95.1	Very high	94.7	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.01	13%	0.129	C	C	.	.	H	α-helix	trans	74.3	173.5	-169.2	0	0	0	0	0	111.8	V147 S155 N380	V147-G151 CarbonylContact O-C 3.53Å; V147-G151 WeakPolarHBondContact O-CA 3.38Å; V147-G151 PolarHBondContact O-N 3.16Å; G151-S155 WeakPolarHBondContact O-CB 3.26Å; G151-S155 PolarHBondContact O-N 3.48Å; G151-S155 VanDerWaalsContact O-N 3.15Å; G151-S155 PolarHBondContact O-OG 3.21Å; G151-N380 WeakPolarHBondContact CA-O 3.38Å
152	I	95.5	Very high	94.8	Very high	10 Å²	10	25.4 Å²	25.4	5%	0.051	13%	0.128	C	C	.	.	H	α-helix	trans	-65.4	-43	-174.8	-62	168.4	0	0	0	111.5	V147 F156 I377 N380 L381 V473 V474	V147-I152 HydrophobicContact CG1-CG1 4.42Å; I152-F156 WeakPolarHBondContact O-CB 3.42Å; I152-F156 PolarHBondContact O-N 2.75Å; I152-I377 HydrophobicContact CD1-CG1 3.6Å; I152-N380 HydrophobicContact CD1-CB 4.24Å; I152-N380 HydrophobicContact CG1-CB 4.49Å; I152-N380 WeakPolarHBondContact CG1-O 3.25Å; I152-N380 PolarHBondContact N-O 3.24Å; I152-L381 HydrophobicContact CB-CD1 4.47Å; I152-L381 PolarHBondContact N-O 2.92Å; I152-V473 HydrophobicContact CG2-CG1 4.44Å; I152-V474 HydrophobicContact CG2-CG2 4.4Å
153	M	94.9	Very high	94.8	Very high	101 Å²	101	25.8 Å²	25.8	50%	0.498	13%	0.131	S	C	.	.	H	α-helix	trans	-66.1	-50.8	-173.9	-74.6	-61	-60.2	0	0	112.8	F156 C157 L381	M153-F156 PolarHBondContact O-N 2.86Å; M153-C157 PolarHBondContact O-N 3.37Å; M153-C157 VanDerWaalsContact O-N 3.1Å; M153-L381 HydrophobicContact CG-CD1 3.62Å; M153-L381 HydrophobicContact CG-CG 3.83Å; M153-L381 PolarHBondContact N-O 3.38Å; M153-L381 HydrophobicContact SD-CD1 4.14Å
154	E	95.2	Very high	94.9	Very high	68 Å²	68	27.2 Å²	27.2	32%	0.318	14%	0.141	S	C	.	.	H	α-helix	trans	-70.7	-37	-179.7	-62.8	-171.1	165.5	0	0	111.4	A150 F156 C157 M158 Y385 F423	A150-E154 HydrophobicContact CB-CB 4Å; A150-E154 WeakPolarHBondContact O-CB 3.45Å; E154-F156 PolarHBondContact O-N 2.93Å; E154-C157 PolarHBondContact O-N 3.26Å; E154-M158 WeakPolarHBondContact O-CB 3.49Å; E154-M158 PolarHBondContact O-N 2.95Å; E154-Y385 WeakPolarHBondContact OE2-CE2 3.36Å; E154-Y385 VanDerWaalsContact OE2-CZ 3.28Å; E154-Y385 PolarHBondContact OE2-OH 3.36Å; E154-F423 HydrophobicContact CB-CD2 4.3Å; E154-F423 HydrophobicContact CB-CE2 4.19Å
155	S	95.8	Very high	95	Very high	1 Å²	1	27 Å²	27	1%	0.007	14%	0.139	C	C	.	.	H	α-helix	trans	-60.4	-45.1	173.1	-62.3	0	0	0	0	111.6	V146 V147 G151 C157 M158 V159	V146-S155 PolarHBondContact O-OG 3.34Å; V147-S155 WeakPolarHBondContact CA-OG 3.28Å; G151-S155 WeakPolarHBondContact O-CB 3.26Å; G151-S155 PolarHBondContact O-N 3.48Å; G151-S155 VanDerWaalsContact O-N 3.15Å; G151-S155 PolarHBondContact O-OG 3.21Å; S155-C157 PolarHBondContact O-N 3.46Å; S155-M158 PolarHBondContact O-N 2.91Å; S155-V159 WeakPolarHBondContact O-CG2 3.43Å; S155-V159 PolarHBondContact O-N 3.32Å
156	F	95.2	Very high	95	Very high	81 Å²	81	26.8 Å²	26.8	36%	0.355	14%	0.139	S	C	.	.	H	α-helix	trans	-59.1	-47.8	177.1	-177.9	-81.5	0	0	0	111.6	I152 M153 E154 M158 V159 F160 I470 V473	I152-F156 WeakPolarHBondContact O-CB 3.42Å; I152-F156 PolarHBondContact O-N 2.75Å; M153-F156 PolarHBondContact O-N 2.86Å; E154-F156 PolarHBondContact O-N 2.93Å; F156-M158 PolarHBondContact O-N 2.88Å; F156-V159 PolarHBondContact O-N 3.22Å; F156-F160 WeakPolarHBondContact O-CB 3.45Å; F156-F160 PolarHBondContact O-N 2.99Å; F156-I470 HydrophobicContact CD2-CG2 3.85Å; F156-I470 HydrophobicContact CE2-CG2 3.35Å; F156-I470 HydrophobicContact CZ-CG2 4.23Å; F156-V473 HydrophobicContact CB-CG1 4.5Å
157	C	94.1	Very high	95.1	Very high	64 Å²	64	29.2 Å²	29.2	43%	0.432	15%	0.151	S	C	.	.	H	α-helix	trans	-59.7	-44.3	175.9	-97.4	0	0	0	0	112.2	M153 E154 S155 F160 I161	M153-C157 PolarHBondContact O-N 3.37Å; M153-C157 VanDerWaalsContact O-N 3.1Å; E154-C157 PolarHBondContact O-N 3.26Å; S155-C157 PolarHBondContact O-N 3.46Å; C157-F160 PolarHBondContact O-N 3.45Å; C157-I161 VanDerWaalsContact O-CG1 3.26Å; C157-I161 WeakPolarHBondContact O-CG1 3.27Å; C157-I161 PolarHBondContact O-N 2.92Å
158	M	94.8	Very high	95.1	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-60.2	-48.4	177.4	167.1	169.4	34.7	0	0	111.9	V146 A150 E154 S155 F156 F160 I161 C162 F423 L426 V427 Y430	V146-M158 HydrophobicContact CG1-CE 3.33Å; V146-M158 HydrophobicContact CG1-SD 4.32Å; A150-M158 HydrophobicContact CB-CE 4.34Å; E154-M158 WeakPolarHBondContact O-CB 3.49Å; E154-M158 PolarHBondContact O-N 2.95Å; S155-M158 PolarHBondContact O-N 2.91Å; F156-M158 PolarHBondContact O-N 2.88Å; M158-F160 VanDerWaalsContact C-N 3.34Å; M158-F160 PolarHBondContact O-N 3.36Å; M158-I161 PolarHBondContact O-N 3.38Å; M158-C162 WeakPolarHBondContact O-CB 3.46Å; M158-C162 PolarHBondContact O-N 3.39Å; M158-C162 PolarHBondContact O-SG 3.28Å; M158-F423 HydrophobicContact CB-CE2 4.19Å; M158-F423 HydrophobicContact CB-CZ 4.31Å; M158-L426 HydrophobicContact CE-CB 4.06Å; M158-L426 VanDerWaalsContact SD-C 3.53Å; M158-L426 HydrophobicContact SD-CB 3.94Å; M158-V427 HydrophobicContact CG-CG2 3.99Å; M158-V427 HydrophobicContact SD-CB 4.39Å; M158-V427 HydrophobicContact SD-CG2 3.86Å; M158-Y430 HydrophobicContact CG-CD1 4.07Å; M158-Y430 HydrophobicContact CG-CG 4.38Å; M158-Y430 HydrophobicContact SD-CG 4.41Å
159	V	95.1	Very high	95.3	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.012	15%	0.152	C	C	.	.	H	α-helix	trans	-59.7	-45.9	175.9	174.3	0	0	0	0	110.7	S155 F156 I161 C162 C163 Y430 I470 V473	S155-V159 WeakPolarHBondContact O-CG2 3.43Å; S155-V159 PolarHBondContact O-N 3.32Å; F156-V159 PolarHBondContact O-N 3.22Å; V159-I161 PolarHBondContact O-N 3.18Å; V159-C162 PolarHBondContact O-N 2.82Å; V159-C163 VanDerWaalsContact O-CB 3.31Å; V159-C163 WeakPolarHBondContact O-CB 3.08Å; V159-C163 PolarHBondContact O-N 2.82Å; V159-C163 PolarHBondContact O-SG 3.45Å; V159-Y430 HydrophobicContact CB-CE1 4.24Å; V159-Y430 HydrophobicContact CG1-CE1 4.5Å; V159-Y430 WeakPolarHBondContact CG1-OH 3.44Å; V159-Y430 HydrophobicContact CG2-CE1 3.85Å; V159-Y430 HydrophobicContact CG2-CE2 3.91Å; V159-Y430 VanDerWaalsContact CG2-CZ 3.46Å; V159-Y430 WeakPolarHBondContact CG2-OH 3.2Å; V159-I470 HydrophobicContact CG1-CG1 3.66Å; V159-V473 HydrophobicContact CG2-CG2 3.85Å
160	F	94.8	Very high	95.3	Very high	116 Å²	116	29.8 Å²	29.8	51%	0.509	15%	0.152	S	C	.	.	H	α-helix	trans	-61.1	-44.8	-179.4	-179	-97.1	0	0	0	112.7	F156 C157 M158 C163 S164	F156-F160 WeakPolarHBondContact O-CB 3.45Å; F156-F160 PolarHBondContact O-N 2.99Å; C157-F160 PolarHBondContact O-N 3.45Å; M158-F160 VanDerWaalsContact C-N 3.34Å; M158-F160 PolarHBondContact O-N 3.36Å; F160-C163 PolarHBondContact O-N 2.89Å; F160-S164 VanDerWaalsContact O-CB 3.32Å; F160-S164 WeakPolarHBondContact O-CB 3.44Å; F160-S164 PolarHBondContact O-N 3.41Å; F160-S164 PolarHBondContact O-OG 3.38Å
161	I	94.4	Very high	95.4	Very high	65 Å²	65	31 Å²	31	33%	0.333	16%	0.158	S	C	.	.	H	α-helix	trans	-63.9	-47.1	178.3	-68.5	165.7	0	0	0	110.6	C157 M158 V159 S164 C165 L632	C157-I161 VanDerWaalsContact O-CG1 3.26Å; C157-I161 WeakPolarHBondContact O-CG1 3.27Å; C157-I161 PolarHBondContact O-N 2.92Å; M158-I161 PolarHBondContact O-N 3.38Å; V159-I161 PolarHBondContact O-N 3.18Å; I161-S164 PolarHBondContact O-N 3.18Å; I161-C165 PolarHBondContact O-N 2.68Å; I161-L632 HydrophobicContact CG2-CD1 4.38Å; I161-L632 HydrophobicContact CG2-CD2 3.94Å; I161-L632 HydrophobicContact CG2-CG 4.48Å
162	C	94.9	Very high	95.5	Very high	1 Å²	1	31 Å²	31	1%	0.007	16%	0.158	C	C	.	.	H	α-helix	trans	-62.9	-44.4	179.2	-65.2	0	0	0	0	111.5	M158 V159 C165 T166 Y430 F431 V434	M158-C162 WeakPolarHBondContact O-CB 3.46Å; M158-C162 PolarHBondContact O-N 3.39Å; M158-C162 PolarHBondContact O-SG 3.28Å; V159-C162 PolarHBondContact O-N 2.82Å; C162-C165 WeakPolarHBondContact O-CB 3.41Å; C162-C165 PolarHBondContact O-N 3.3Å; C162-T166 PolarHBondContact O-N 2.88Å; C162-Y430 HydrophobicContact CB-CD1 4.19Å; C162-Y430 HydrophobicContact CB-CE1 3.96Å; C162-F431 HydrophobicContact CB-CD2 4.29Å; C162-V434 HydrophobicContact CB-CG1 4.23Å; C162-V434 HydrophobicContact CB-CG2 3.9Å
163	C	95.1	Very high	95.4	Very high	9 Å²	9	30.7 Å²	30.7	6%	0.061	16%	0.156	C	C	.	.	H	α-helix	trans	-63.3	-43.1	176.6	-68.6	0	0	0	0	111.7	V159 F160 C165 T166 M167 S466	V159-C163 VanDerWaalsContact O-CB 3.31Å; V159-C163 WeakPolarHBondContact O-CB 3.08Å; V159-C163 PolarHBondContact O-N 2.82Å; V159-C163 PolarHBondContact O-SG 3.45Å; F160-C163 PolarHBondContact O-N 2.89Å; C163-C165 VanDerWaalsContact C-N 3.33Å; C163-C165 PolarHBondContact O-N 3.29Å; C163-T166 PolarHBondContact O-N 3.16Å; C163-T166 PolarHBondContact O-OG1 2.94Å; C163-M167 WeakPolarHBondContact O-CB 3.21Å; C163-M167 PolarHBondContact O-N 2.84Å; C163-S466 WeakPolarHBondContact CB-OG 3.46Å; C163-S466 PolarHBondContact SG-OG 3.18Å
164	S	95.5	Very high	95.4	Very high	32 Å²	32	26 Å²	26	22%	0.224	13%	0.133	C	C	.	.	H	α-helix	trans	-60.3	-42.1	177.8	-61.9	0	0	0	0	112.1	F160 I161 T166 M167 L168	F160-S164 VanDerWaalsContact O-CB 3.32Å; F160-S164 WeakPolarHBondContact O-CB 3.44Å; F160-S164 PolarHBondContact O-N 3.41Å; F160-S164 PolarHBondContact O-OG 3.38Å; I161-S164 PolarHBondContact O-N 3.18Å; S164-T166 PolarHBondContact O-N 3.49Å; S164-M167 PolarHBondContact O-N 3.46Å; S164-L168 WeakPolarHBondContact O-CG 3.23Å; S164-L168 PolarHBondContact O-N 3.35Å
165	C	95.9	Very high	95.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-56.7	-48.2	174.5	177	0	0	0	0	111.8	I161 C162 C163 T169 C629 L632	I161-C165 PolarHBondContact O-N 2.68Å; C162-C165 WeakPolarHBondContact O-CB 3.41Å; C162-C165 PolarHBondContact O-N 3.3Å; C163-C165 VanDerWaalsContact C-N 3.33Å; C163-C165 PolarHBondContact O-N 3.29Å; C165-T169 PolarHBondContact O-N 3.48Å; C165-T169 VanDerWaalsContact O-N 3.13Å; C165-T169 PolarHBondContact O-OG1 3.39Å; C165-C629 PolarHBondContact SG-SG 2.96Å; C165-L632 HydrophobicContact CB-CD1 4.11Å
166	T	95.9	Very high	95.3	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.012	12%	0.118	C	C	.	.	H	α-helix	trans	-70.6	-34.6	179.4	60.9	0	0	0	0	113.3	C162 C163 S164 T169 A170 V434 Y592	C162-T166 PolarHBondContact O-N 2.88Å; C163-T166 PolarHBondContact O-N 3.16Å; C163-T166 PolarHBondContact O-OG1 2.94Å; S164-T166 PolarHBondContact O-N 3.49Å; T166-T169 PolarHBondContact O-N 2.9Å; T166-A170 WeakPolarHBondContact O-CB 3.34Å; T166-A170 PolarHBondContact O-N 3.36Å; T166-V434 HydrophobicContact CG2-CB 3.91Å; T166-V434 HydrophobicContact CG2-CG2 3.65Å; T166-V434 WeakPolarHBondContact CG2-O 3.26Å; T166-Y592 HydrophobicContact CG2-CE2 4.26Å
167	M	96.1	Very high	95.2	Very high	52 Å²	52	18.9 Å²	18.9	26%	0.256	10%	0.101	S	C	.	.	H	α-helix	trans	-64.8	-46.4	176.2	-175.8	60.2	73.4	0	0	111.7	C163 S164 T169 A170 I171 I459 I462	C163-M167 WeakPolarHBondContact O-CB 3.21Å; C163-M167 PolarHBondContact O-N 2.84Å; S164-M167 PolarHBondContact O-N 3.46Å; M167-T169 VanDerWaalsContact C-N 3.28Å; M167-T169 PolarHBondContact O-N 3.24Å; M167-A170 WeakPolarHBondContact O-CB 3.36Å; M167-A170 PolarHBondContact O-N 3.09Å; M167-A170 VanDerWaalsContact O-N 3.15Å; M167-I171 WeakPolarHBondContact O-CG1 3.35Å; M167-I171 PolarHBondContact O-N 3.48Å; M167-I459 HydrophobicContact CE-CG2 4.46Å; M167-I459 HydrophobicContact SD-CG2 4.09Å; M167-I462 HydrophobicContact CE-CB 4.07Å; M167-I462 HydrophobicContact CE-CG2 3.67Å
168	L	97.1	Very high	95.1	Very high	19 Å²	19	16.4 Å²	16.4	10%	0.099	8%	0.084	C	C	.	.	H	α-helix	trans	-61.9	-39	175.4	-69.2	167.6	0	0	0	111.4	S164 A170 I171 S172 L621 L624 L628	S164-L168 WeakPolarHBondContact O-CG 3.23Å; S164-L168 PolarHBondContact O-N 3.35Å; L168-A170 VanDerWaalsContact C-N 3.34Å; L168-A170 PolarHBondContact O-N 3.32Å; L168-I171 PolarHBondContact O-N 2.97Å; L168-S172 PolarHBondContact O-N 2.72Å; L168-S172 VanDerWaalsContact O-N 3.11Å; L168-S172 PolarHBondContact O-OG 3.25Å; L168-L621 HydrophobicContact CD2-CB 4.22Å; L168-L621 HydrophobicContact CD2-CD2 4.12Å; L168-L624 HydrophobicContact CD1-CB 4.34Å; L168-L624 HydrophobicContact CD1-CD2 3.96Å; L168-L624 HydrophobicContact CD1-CG 3.9Å; L168-L624 HydrophobicContact CD2-CD2 4.46Å; L168-L628 HydrophobicContact CD1-CD1 3.66Å
169	T	96.4	Very high	94.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-66.3	-35.9	175.1	-51.3	0	0	0	0	112.1	C165 T166 M167 S172 M173 I437 Y592 V595 N596	C165-T169 PolarHBondContact O-N 3.48Å; C165-T169 VanDerWaalsContact O-N 3.13Å; C165-T169 PolarHBondContact O-OG1 3.39Å; T166-T169 PolarHBondContact O-N 2.9Å; M167-T169 VanDerWaalsContact C-N 3.28Å; M167-T169 PolarHBondContact O-N 3.24Å; T169-S172 PolarHBondContact O-N 2.61Å; T169-M173 WeakPolarHBondContact O-CB 3.36Å; T169-M173 PolarHBondContact O-N 2.79Å; T169-I437 HydrophobicContact CG2-CD1 3.93Å; T169-Y592 HydrophobicContact CG2-CD1 3.82Å; T169-Y592 HydrophobicContact CG2-CG 3.86Å; T169-V595 HydrophobicContact CG2-CG1 4.4Å; T169-N596 WeakPolarHBondContact CA-OD1 3.37Å; T169-N596 PolarHBondContact OG1-ND2 3.3Å
170	A	96.1	Very high	94.1	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67.9	-33.3	175	0	0	0	0	0	112.9	T166 M167 L168 M173 S174 T458 I462	T166-A170 WeakPolarHBondContact O-CB 3.34Å; T166-A170 PolarHBondContact O-N 3.36Å; M167-A170 WeakPolarHBondContact O-CB 3.36Å; M167-A170 PolarHBondContact O-N 3.09Å; M167-A170 VanDerWaalsContact O-N 3.15Å; L168-A170 VanDerWaalsContact C-N 3.34Å; L168-A170 PolarHBondContact O-N 3.32Å; A170-M173 PolarHBondContact O-N 3.28Å; A170-S174 WeakPolarHBondContact O-CB 3.37Å; A170-S174 PolarHBondContact O-N 3.27Å; A170-S174 PolarHBondContact O-OG 3.12Å; A170-T458 HydrophobicContact CB-CG2 4.27Å; A170-I462 HydrophobicContact CB-CD1 3.37Å
171	I	96.5	Very high	93.6	Very high	26 Å²	26	19.7 Å²	19.7	13%	0.133	12%	0.122	C	C	.	.	H	α-helix	trans	-64.5	-45.7	171.2	-66.2	168	0	0	0	110.2	M167 L168 M173 S174 A175 F614 Y617 L621	M167-I171 WeakPolarHBondContact O-CG1 3.35Å; M167-I171 PolarHBondContact O-N 3.48Å; L168-I171 PolarHBondContact O-N 2.97Å; I171-M173 PolarHBondContact O-N 3.18Å; I171-S174 WeakPolarHBondContact O-CB 3.33Å; I171-S174 PolarHBondContact O-N 3.24Å; I171-A175 PolarHBondContact O-N 3.13Å; I171-F614 HydrophobicContact CG2-CE1 4.27Å; I171-Y617 HydrophobicContact CG2-CD2 4.48Å; I171-L621 HydrophobicContact CG2-CD1 4.47Å
172	S	95.9	Very high	93.2	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.7	-43.6	174.1	-59.9	0	0	0	0	111.8	L168 T169 S174 A175 I176 N596 S622	L168-S172 PolarHBondContact O-N 2.72Å; L168-S172 VanDerWaalsContact O-N 3.11Å; L168-S172 PolarHBondContact O-OG 3.25Å; T169-S172 PolarHBondContact O-N 2.61Å; S172-S174 VanDerWaalsContact C-N 3.29Å; S172-S174 PolarHBondContact O-N 3.48Å; S172-A175 WeakPolarHBondContact O-CB 3.23Å; S172-A175 PolarHBondContact O-N 3.02Å; S172-I176 WeakPolarHBondContact O-CG1 3.39Å; S172-I176 PolarHBondContact O-N 2.88Å; S172-I176 VanDerWaalsContact O-N 3.11Å; S172-N596 VanDerWaalsContact CB-OD1 3.24Å; S172-N596 WeakPolarHBondContact CB-OD1 3.36Å; S172-N596 PolarHBondContact OG-OD1 2.74Å; S172-S622 WeakPolarHBondContact OG-CB 3.3Å; S172-S622 PolarHBondContact OG-OG 3.35Å
173	M	93.7	Very high	92.6	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.02	12%	0.122	C	C	.	.	H	α-helix	trans	-64	-35.1	176	-160.7	-151.1	-56.1	0	0	112.2	T169 A170 I171 A175 I176 A177 M190 I437 M438	T169-M173 WeakPolarHBondContact O-CB 3.36Å; T169-M173 PolarHBondContact O-N 2.79Å; A170-M173 PolarHBondContact O-N 3.28Å; I171-M173 PolarHBondContact O-N 3.18Å; M173-A175 VanDerWaalsContact C-N 3.32Å; M173-I176 WeakPolarHBondContact O-CB 3.43Å; M173-I176 PolarHBondContact O-N 3.27Å; M173-A177 WeakPolarHBondContact O-CB 3.49Å; M173-A177 PolarHBondContact O-N 3.27Å; M173-M190 HydrophobicContact CG-CE 3.91Å; M173-M190 HydrophobicContact SD-CE 4.17Å; M173-I437 HydrophobicContact CE-CB 4.38Å; M173-I437 HydrophobicContact CE-CD1 4.19Å; M173-I437 HydrophobicContact CE-CG1 3.92Å; M173-M438 HydrophobicContact CE-CB 4.47Å; M173-M438 HydrophobicContact CE-CG 3.94Å
174	S	94.5	Very high	91.8	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.014	13%	0.127	C	C	.	.	H	α-helix	trans	-66.5	-35	175.2	-61	0	0	0	0	112	A170 I171 S172 A177 T178 P455	A170-S174 WeakPolarHBondContact O-CB 3.37Å; A170-S174 PolarHBondContact O-N 3.27Å; A170-S174 PolarHBondContact O-OG 3.12Å; I171-S174 WeakPolarHBondContact O-CB 3.33Å; I171-S174 PolarHBondContact O-N 3.24Å; S172-S174 VanDerWaalsContact C-N 3.29Å; S172-S174 PolarHBondContact O-N 3.48Å; S174-A177 PolarHBondContact O-N 2.98Å; S174-T178 WeakPolarHBondContact O-CG2 3.29Å; S174-T178 PolarHBondContact O-N 2.92Å; S174-T178 VanDerWaalsContact O-N 3.14Å; S174-T178 PolarHBondContact O-OG1 3.44Å; S174-P455 WeakPolarHBondContact OG-CA 3.45Å; S174-P455 WeakPolarHBondContact OG-CB 3.47Å
175	A	94.7	Very high	91	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64.8	-42.3	172	0	0	0	0	0	111.5	I171 S172 M173 T178 N179 W610 P612 Y617	I171-A175 PolarHBondContact O-N 3.13Å; S172-A175 WeakPolarHBondContact O-CB 3.23Å; S172-A175 PolarHBondContact O-N 3.02Å; M173-A175 VanDerWaalsContact C-N 3.32Å; A175-T178 PolarHBondContact O-N 2.96Å; A175-T178 PolarHBondContact O-OG1 2.74Å; A175-N179 PolarHBondContact O-N 3.39Å; A175-N179 VanDerWaalsContact O-N 3.12Å; A175-W610 HydrophobicContact CB-CH2 4.46Å; A175-W610 HydrophobicContact CB-CZ2 4.39Å; A175-P612 HydrophobicContact CB-CB 3.88Å; A175-Y617 HydrophobicContact CB-CD1 4.21Å; A175-Y617 HydrophobicContact CB-CD2 3.32Å; A175-Y617 HydrophobicContact CB-CE2 3.66Å; A175-Y617 HydrophobicContact CB-CG 3.62Å
176	I	94.4	Very high	90.5	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-60.9	-46.3	174	-62.7	171.6	0	0	0	111	S172 M173 T178 N179 M190 L195 V595 W610	S172-I176 WeakPolarHBondContact O-CG1 3.39Å; S172-I176 PolarHBondContact O-N 2.88Å; S172-I176 VanDerWaalsContact O-N 3.11Å; M173-I176 WeakPolarHBondContact O-CB 3.43Å; M173-I176 PolarHBondContact O-N 3.27Å; I176-T178 PolarHBondContact O-N 2.88Å; I176-N179 PolarHBondContact O-N 2.94Å; I176-M190 HydrophobicContact CG2-CE 4.44Å; I176-M190 HydrophobicContact CG2-CG 4.13Å; I176-L195 HydrophobicContact CD1-CD1 3.86Å; I176-L195 HydrophobicContact CD1-CD2 4.3Å; I176-L195 HydrophobicContact CD1-CG 4.2Å; I176-L195 HydrophobicContact CG1-CD2 4.2Å; I176-L195 HydrophobicContact CG1-CG 4.46Å; I176-V595 HydrophobicContact CD1-CG1 3.88Å; I176-W610 HydrophobicContact CG1-CH2 3.86Å; I176-W610 HydrophobicContact CG1-CZ3 4.19Å
177	A	92.8	Very high	90.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-68.7	-14.1	-179.3	0	0	0	0	0	113.9	M173 S174 V182 M190 I454	M173-A177 WeakPolarHBondContact O-CB 3.49Å; M173-A177 PolarHBondContact O-N 3.27Å; S174-A177 PolarHBondContact O-N 2.98Å; A177-V182 WeakPolarHBondContact O-CG2 3.47Å; A177-M190 HydrophobicContact CB-SD 3.76Å; A177-I454 HydrophobicContact CB-CB 4.18Å; A177-I454 HydrophobicContact CB-CD1 4.35Å; A177-I454 HydrophobicContact CB-CG2 3.91Å
178	T	92	Very high	90	Very high	12 Å²	12	16.4 Å²	16.4	7%	0.074	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	0.8	176.5	55.5	0	0	0	0	113	S174 A175 I176 P455 F614	S174-T178 WeakPolarHBondContact O-CG2 3.29Å; S174-T178 PolarHBondContact O-N 2.92Å; S174-T178 VanDerWaalsContact O-N 3.14Å; S174-T178 PolarHBondContact O-OG1 3.44Å; A175-T178 PolarHBondContact O-N 2.96Å; A175-T178 PolarHBondContact O-OG1 2.74Å; I176-T178 PolarHBondContact O-N 2.88Å; T178-P455 HydrophobicContact CG2-CG 4.19Å; T178-F614 HydrophobicContact CG2-CB 4.31Å; T178-F614 WeakPolarHBondContact OG1-CB 3.38Å; T178-F614 PolarHBondContact OG1-N 3.48Å
179	N	88.5	Confident	89.7	Confident	12 Å²	12	15.8 Å²	15.8	6%	0.064	11%	0.106	C	C	.	.	S	Bend	trans	-88.7	112	173.2	-169.6	48.6	0	0	0	109.9	A175 I176 N609 W610 R611	A175-N179 PolarHBondContact O-N 3.39Å; A175-N179 VanDerWaalsContact O-N 3.12Å; I176-N179 PolarHBondContact O-N 2.94Å; N179-N609 PolarHBondContact ND2-O 3.27Å; N179-N609 PolarHBondContact OD1-O 3.09Å; N179-W610 HydrophobicContact CB-CE3 4.25Å; N179-W610 HydrophobicContact CB-CZ3 4.12Å; N179-R611 PolarHBondContact OD1-N 3.31Å
180	G	81.6	Confident	89.3	Confident	45 Å²	45	15.9 Å²	15.9	46%	0.464	11%	0.106	S	C	.	.	S	Bend	trans	66.3	-161.1	-178.5	0	0	0	0	0	114.2	Q451	G180-Q451 PolarHBondContact O-NE2 3.35Å
181	V	84.2	Confident	89.1	Confident	132 Å²	132	16.1 Å²	16.1	80%	0.8	11%	0.107	S	C	*	.	P	Polyproline II helix	trans	-81.7	133.3	174.3	-88.9	0	0	0	0	110.1	P183	V181-P183 WeakPolarHBondContact O-CD 3.37Å
182	V	84.7	Confident	88.9	Confident	28 Å²	28	15 Å²	15	17%	0.17	10%	0.102	C	C	.	.	P	Polyproline II helix	trans	-79	116.6	179	-175.3	0	0	0	0	108.6	A177 M190 A450 Q451 I454	A177-V182 WeakPolarHBondContact O-CG2 3.47Å; V182-M190 HydrophobicContact CG1-CG 4.27Å; V182-M190 HydrophobicContact CG1-SD 4.26Å; V182-A450 HydrophobicContact CB-CB 3.95Å; V182-A450 HydrophobicContact CG1-CB 4Å; V182-A450 HydrophobicContact CG2-CB 4.18Å; V182-Q451 HydrophobicContact CG2-CG 3.73Å; V182-I454 HydrophobicContact CG1-CD1 4.13Å
183	P	82.9	Confident	88.5	Confident	25 Å²	25	21.2 Å²	21.2	16%	0.162	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-70.1	147.7	-179.7	29.1	-34.3	0	0	0	111.2	V181 R193 S444	V181-P183 WeakPolarHBondContact O-CD 3.37Å; P183-R193 HydrophobicContact CG-CG 4.38Å; P183-S444 WeakPolarHBondContact O-CB 3.36Å; P183-S444 PolarHBondContact O-OG 3.38Å
184	A	78	Confident	88.2	Confident	21 Å²	21	22 Å²	22	17%	0.174	13%	0.131	C	C	.	.	S	Bend	trans	-72.8	128.6	165.6	0	0	0	0	0	108.6	H101 A104 G445	H101-A184 VanDerWaalsContact CA-O 3.22Å; H101-A184 WeakPolarHBondContact CA-O 3.46Å; H101-A184 WeakPolarHBondContact CB-O 3.17Å; H101-A184 PolarHBondContact CD2-O 2.76Å; A104-A184 HydrophobicContact CB-CB 3.54Å; A184-G445 VanDerWaalsContact CB-CA 3.48Å
185	G	78.4	Confident	87.9	Confident	4 Å²	4	22.3 Å²	22.3	4%	0.041	13%	0.133	C	C	.	.	S	Bend	trans	143.1	-2.6	-176.2	0	0	0	0	0	114.9	Y189	G185-Y189 WeakPolarHBondContact O-CD2 3.49Å
186	G	85.9	Confident	87.6	Confident	1 Å²	1	23.1 Å²	23.1	1%	0.01	14%	0.141	C	C	.	.			trans	90.5	-167	174.2	0	0	0	0	0	114.8	Y188 M190 S441 S444	G186-Y188 VanDerWaalsContact C-N 3.34Å; G186-Y188 PolarHBondContact O-N 3.02Å; G186-M190 WeakPolarHBondContact O-CB 3.01Å; G186-M190 PolarHBondContact O-N 2.93Å; G186-S441 CarbonylContact C-O 3.57Å; G186-S441 WeakPolarHBondContact CA-O 3.47Å; G186-S444 PolarHBondContact N-OG 3.4Å; G186-S444 VanDerWaalsContact N-OG 3.12Å
187	S	89.5	Confident	87.2	Confident	4 Å²	4	25.6 Å²	25.6	3%	0.028	16%	0.157	C	C	.	.	H	α-helix	trans	-59.7	-38.3	-172.6	52.8	0	0	0	0	113.9	I191 S441 N442	S187-I191 WeakPolarHBondContact O-CB 3.35Å; S187-I191 WeakPolarHBondContact O-CG1 3.32Å; S187-I191 PolarHBondContact O-N 3.37Å; S187-S441 VanDerWaalsContact CB-OG 3.3Å; S187-S441 WeakPolarHBondContact CB-OG 3.27Å; S187-N442 VanDerWaalsContact CB-OD1 3.31Å; S187-N442 WeakPolarHBondContact CB-OD1 3.26Å; S187-N442 PolarHBondContact OG-OD1 3.5Å
188	Y	92.1	Very high	87.1	Confident	9 Å²	9	27.9 Å²	27.9	4%	0.035	17%	0.168	C	C	.	.	H	α-helix	trans	-62.5	-54.9	-179.3	172.7	-107.4	0	0	0	112.7	G186 M190 I191 S192 G200 L532 A535 I536 D539 I541	G186-Y188 VanDerWaalsContact C-N 3.34Å; G186-Y188 PolarHBondContact O-N 3.02Å; Y188-M190 VanDerWaalsContact C-N 3.29Å; Y188-M190 PolarHBondContact O-N 2.93Å; Y188-I191 PolarHBondContact O-N 2.98Å; Y188-I191 VanDerWaalsContact O-N 3.15Å; Y188-S192 WeakPolarHBondContact O-CB 3.24Å; Y188-S192 PolarHBondContact O-N 3.49Å; Y188-S192 PolarHBondContact O-OG 3.36Å; Y188-G200 WeakPolarHBondContact CE2-O 3.48Å; Y188-L532 HydrophobicContact CD2-CD1 4.19Å; Y188-L532 HydrophobicContact CG-CD1 4.01Å; Y188-A535 HydrophobicContact CD1-CB 3.66Å; Y188-A535 HydrophobicContact CE1-CB 4.07Å; Y188-A535 HydrophobicContact CG-CB 4.47Å; Y188-I536 HydrophobicContact CD2-CG1 3.9Å; Y188-I536 HydrophobicContact CE1-CG1 4.29Å; Y188-I536 HydrophobicContact CE2-CD1 4.42Å; Y188-I536 HydrophobicContact CE2-CG1 3.46Å; Y188-I536 VanDerWaalsContact CE2-CG1 3.46Å; Y188-I536 HydrophobicContact CG-CG1 4.48Å; Y188-D539 HydrophobicContact CE1-CB 4.35Å; Y188-D539 VanDerWaalsContact CE1-OD2 3.26Å; Y188-D539 WeakPolarHBondContact CE1-OD2 3.4Å; Y188-D539 PolarHBondContact OH-OD2 3.24Å; Y188-D539 VanDerWaalsContact OH-OD2 3.09Å; Y188-I541 WeakPolarHBondContact OH-CD1 3.35Å
189	Y	90.2	Very high	87	Confident	6 Å²	6	28.5 Å²	28.5	2%	0.024	17%	0.169	C	C	.	.	H	α-helix	trans	-64.7	-36.1	-179.9	-73.7	-74.5	0	0	0	111.7	H101 G185 I191 S192 R193 A535 D539	H101-Y189 HydrophobicContact CB-CD2 4.21Å; H101-Y189 HydrophobicContact CB-CE2 3.94Å; H101-Y189 AromaticContact CD2-CD1 3.34Å; H101-Y189 WeakPolarHBondContact CD2-CD1 3.37Å; H101-Y189 AromaticContact CD2-CD2 3.72Å; H101-Y189 AromaticContact CD2-CE1 3.74Å; H101-Y189 AromaticContact CD2-CG 3.32Å; H101-Y189 AromaticContact CG-CE1 3.97Å; H101-Y189 AromaticContact CG-CZ 3.99Å; H101-Y189 AromaticContact NE2-CD1 3.37Å; H101-Y189 WeakPolarHBondContact NE2-CD1 3.31Å; H101-Y189 AromaticContact NE2-CE1 3.81Å; H101-Y189 AromaticContact NE2-CG 3.8Å; G185-Y189 WeakPolarHBondContact O-CD2 3.49Å; Y189-I191 VanDerWaalsContact C-N 3.32Å; Y189-I191 PolarHBondContact O-N 2.87Å; Y189-S192 PolarHBondContact O-OG 3.34Å; Y189-R193 WeakPolarHBondContact O-CB 3.45Å; Y189-R193 VanDerWaalsContact O-CG 3.24Å; Y189-R193 WeakPolarHBondContact O-CG 3.26Å; Y189-R193 PolarHBondContact O-N 2.85Å; Y189-A535 HydrophobicContact CE2-CB 3.71Å; Y189-D539 WeakPolarHBondContact CE1-OD1 3.47Å
190	M	89.8	Confident	87	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-59.9	-42.3	173.7	-174.4	-175.4	70.5	0	0	111.8	M173 I176 A177 V182 G186 Y188 S194 I454	M173-M190 HydrophobicContact CG-CE 3.91Å; M173-M190 HydrophobicContact SD-CE 4.17Å; I176-M190 HydrophobicContact CG2-CE 4.44Å; I176-M190 HydrophobicContact CG2-CG 4.13Å; A177-M190 HydrophobicContact CB-SD 3.76Å; V182-M190 HydrophobicContact CG1-CG 4.27Å; V182-M190 HydrophobicContact CG1-SD 4.26Å; G186-M190 WeakPolarHBondContact O-CB 3.01Å; G186-M190 PolarHBondContact O-N 2.93Å; Y188-M190 VanDerWaalsContact C-N 3.29Å; Y188-M190 PolarHBondContact O-N 2.93Å; M190-S194 VanDerWaalsContact O-CB 3.3Å; M190-S194 WeakPolarHBondContact O-CB 3.4Å; M190-S194 PolarHBondContact O-N 3.31Å; M190-S194 PolarHBondContact O-OG 3.22Å; M190-I454 HydrophobicContact SD-CD1 4.13Å
191	I	91.7	Very high	87.4	Confident	6 Å²	6	25.8 Å²	25.8	3%	0.031	14%	0.144	C	C	.	.	H	α-helix	trans	-74.8	-45.3	178.8	-66.8	170.5	0	0	0	111	S187 Y188 Y189 R193 S194 L195 V203 M438 V595	S187-I191 WeakPolarHBondContact O-CB 3.35Å; S187-I191 WeakPolarHBondContact O-CG1 3.32Å; S187-I191 PolarHBondContact O-N 3.37Å; Y188-I191 PolarHBondContact O-N 2.98Å; Y188-I191 VanDerWaalsContact O-N 3.15Å; Y189-I191 VanDerWaalsContact C-N 3.32Å; Y189-I191 PolarHBondContact O-N 2.87Å; I191-R193 PolarHBondContact O-N 3.41Å; I191-S194 PolarHBondContact O-N 3.05Å; I191-L195 HydrophobicContact CG2-CD1 3.82Å; I191-L195 HydrophobicContact CG2-CG 4.42Å; I191-L195 WeakPolarHBondContact O-CB 3.33Å; I191-L195 PolarHBondContact O-N 3.44Å; I191-V203 HydrophobicContact CD1-CG1 4.13Å; I191-V203 HydrophobicContact CG2-CG1 4.44Å; I191-M438 HydrophobicContact CD1-CE 4.38Å; I191-V595 HydrophobicContact CD1-CG2 4.44Å
192	S	90.6	Very high	87.8	Confident	3 Å²	3	19.6 Å²	19.6	2%	0.021	11%	0.107	C	C	.	.	H	α-helix	trans	-67.9	-35.8	-175	72.8	0	0	0	0	113	Y188 Y189 G196	Y188-S192 WeakPolarHBondContact O-CB 3.24Å; Y188-S192 PolarHBondContact O-N 3.49Å; Y188-S192 PolarHBondContact O-OG 3.36Å; Y189-S192 PolarHBondContact O-OG 3.34Å; S192-G196 CarbonylContact O-C 3.57Å; S192-G196 VanDerWaalsContact O-CA 3.26Å; S192-G196 WeakPolarHBondContact O-CA 3.41Å; S192-G196 PolarHBondContact O-N 2.92Å; S192-G196 VanDerWaalsContact O-N 3.12Å
193	R	88.8	Confident	88.2	Confident	130 Å²	130	18.4 Å²	18.4	49%	0.491	10%	0.1	S	C	.	.	H	α-helix	trans	-77.8	-34.2	177.7	-61.8	-65.5	178.6	-115.9	-8.4	112.7	P183 Y189 I191 D539	P183-R193 HydrophobicContact CG-CG 4.38Å; Y189-R193 WeakPolarHBondContact O-CB 3.45Å; Y189-R193 VanDerWaalsContact O-CG 3.24Å; Y189-R193 WeakPolarHBondContact O-CG 3.26Å; Y189-R193 PolarHBondContact O-N 2.85Å; I191-R193 PolarHBondContact O-N 3.41Å; R193-D539 IonicContact CZ-OD1 3.31Å; R193-D539 IonicContact NH1-OD2 3.78Å; R193-D539 IonicContact NH2-OD1 2.76Å; R193-D539 PolarHBondContact NH2-OD1 3.2Å
194	S	87.8	Confident	88.6	Confident	20 Å²	20	17.3 Å²	17.3	14%	0.14	9%	0.093	C	C	.	.	H	α-helix	trans	-82.3	-40.7	179.6	-68.7	0	0	0	0	113.6	M190 I191	M190-S194 VanDerWaalsContact O-CB 3.3Å; M190-S194 WeakPolarHBondContact O-CB 3.4Å; M190-S194 PolarHBondContact O-N 3.31Å; M190-S194 PolarHBondContact O-OG 3.22Å; I191-S194 PolarHBondContact O-N 3.05Å
195	L	88.3	Confident	89.3	Confident	9 Å²	9	17.6 Å²	17.6	5%	0.047	9%	0.092	C	C	.	.	H	α-helix	trans	-98	-16.3	-175.2	-59.2	-177.8	0	0	0	114.1	I176 I191 F199 A598 Q602 W610	I176-L195 HydrophobicContact CD1-CD1 3.86Å; I176-L195 HydrophobicContact CD1-CD2 4.3Å; I176-L195 HydrophobicContact CD1-CG 4.2Å; I176-L195 HydrophobicContact CG1-CD2 4.2Å; I176-L195 HydrophobicContact CG1-CG 4.46Å; I191-L195 HydrophobicContact CG2-CD1 3.82Å; I191-L195 HydrophobicContact CG2-CG 4.42Å; I191-L195 WeakPolarHBondContact O-CB 3.33Å; I191-L195 PolarHBondContact O-N 3.44Å; L195-F199 HydrophobicContact CB-CB 4Å; L195-F199 HydrophobicContact CD1-CB 4.39Å; L195-A598 HydrophobicContact CD1-CB 3.68Å; L195-A598 HydrophobicContact CD2-CB 4.16Å; L195-A598 HydrophobicContact CG-CB 4.43Å; L195-Q602 VanDerWaalsContact CA-NE2 3.31Å; L195-Q602 PolarHBondContact O-NE2 3.34Å; L195-W610 HydrophobicContact CD2-CE3 4.25Å; L195-W610 HydrophobicContact CD2-CH2 4.05Å; L195-W610 HydrophobicContact CD2-CZ3 3.61Å
196	G	86.7	Confident	90	Very high	17 Å²	17	17.7 Å²	17.7	18%	0.175	9%	0.092	C	C	.	.			trans	102.8	159.2	-171.6	0	0	0	0	0	113.1	S192 E198 G200	S192-G196 CarbonylContact O-C 3.57Å; S192-G196 VanDerWaalsContact O-CA 3.26Å; S192-G196 WeakPolarHBondContact O-CA 3.41Å; S192-G196 PolarHBondContact O-N 2.92Å; S192-G196 VanDerWaalsContact O-N 3.12Å; G196-E198 VanDerWaalsContact C-N 3.3Å; G196-E198 PolarHBondContact O-N 3.04Å; G196-G200 PolarHBondContact O-N 3.18Å
197	P	87.2	Confident	90.4	Very high	53 Å²	53	18.7 Å²	18.7	34%	0.344	10%	0.096	S	C	.	.	H	α-helix	trans	-66.5	-27.2	-175.1	26.9	-34.4	0	0	0	113.6	G201 I541	P197-G201 PolarHBondContact O-N 3.19Å; P197-I541 HydrophobicContact CB-CG2 3.9Å
198	E	89.6	Confident	90.7	Very high	47 Å²	47	18.9 Å²	18.9	22%	0.22	10%	0.096	C	C	.	.	H	α-helix	trans	-68	-51.3	-178.5	-52.3	77.7	-171.6	0	0	110.9	G196 A202 Y652 I655 E656	G196-E198 VanDerWaalsContact C-N 3.3Å; G196-E198 PolarHBondContact O-N 3.04Å; E198-A202 WeakPolarHBondContact O-CB 3.39Å; E198-A202 PolarHBondContact O-N 3.5Å; E198-A202 VanDerWaalsContact O-N 3.16Å; E198-Y652 HydrophobicContact CB-CD2 3.87Å; E198-Y652 HydrophobicContact CB-CE2 3.51Å; E198-I655 HydrophobicContact CG-CG2 4.44Å; E198-E656 HydrophobicContact CG-CB 4.02Å; E198-E656 HydrophobicContact CG-CG 4.3Å
199	F	89.7	Confident	90.8	Very high	25 Å²	25	21 Å²	21	11%	0.11	11%	0.108	C	C	.	.	H	α-helix	trans	-67.3	-44.3	173.7	-77	-69	0	0	0	111.2	L195 G201 A202 V203 A598 Y652	L195-F199 HydrophobicContact CB-CB 4Å; L195-F199 HydrophobicContact CD1-CB 4.39Å; F199-G201 VanDerWaalsContact C-N 3.33Å; F199-G201 PolarHBondContact O-N 3.15Å; F199-A202 PolarHBondContact O-N 2.87Å; F199-V203 VanDerWaalsContact O-CB 3.23Å; F199-V203 WeakPolarHBondContact O-CB 3.46Å; F199-V203 WeakPolarHBondContact O-CG2 3.44Å; F199-V203 PolarHBondContact O-N 3.2Å; F199-A598 HydrophobicContact CD1-CB 3.74Å; F199-A598 HydrophobicContact CD2-CB 4.1Å; F199-A598 HydrophobicContact CE1-CB 3.81Å; F199-A598 HydrophobicContact CE2-CB 4.17Å; F199-A598 HydrophobicContact CG-CB 3.89Å; F199-A598 HydrophobicContact CZ-CB 4.03Å; F199-Y652 HydrophobicContact CD1-CD2 4.42Å; F199-Y652 HydrophobicContact CD1-CE2 4.01Å; F199-Y652 HydrophobicContact CD2-CE2 4.04Å; F199-Y652 HydrophobicContact CE1-CD2 4.47Å; F199-Y652 AromaticContact CE1-CE2 3.9Å; F199-Y652 HydrophobicContact CE1-CE2 3.9Å; F199-Y652 AromaticContact CE2-CE2 3.92Å; F199-Y652 HydrophobicContact CE2-CE2 3.92Å; F199-Y652 HydrophobicContact CG-CE2 4.08Å; F199-Y652 AromaticContact CZ-CE2 3.86Å; F199-Y652 HydrophobicContact CZ-CE2 3.86Å
200	G	90.1	Very high	90.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-56.4	-44.3	178.3	0	0	0	0	0	113	Y188 G196 G204	Y188-G200 WeakPolarHBondContact CE2-O 3.48Å; G196-G200 PolarHBondContact O-N 3.18Å; G200-G204 WeakPolarHBondContact O-CA 3.4Å; G200-G204 PolarHBondContact O-N 2.94Å
201	G	90.2	Very high	91.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-69.6	-45.3	178.3	0	0	0	0	0	114	P197 F199 G204 L205	P197-G201 PolarHBondContact O-N 3.19Å; F199-G201 VanDerWaalsContact C-N 3.33Å; F199-G201 PolarHBondContact O-N 3.15Å; G201-G204 PolarHBondContact O-N 3.48Å; G201-L205 WeakPolarHBondContact O-CB 3.32Å; G201-L205 WeakPolarHBondContact O-CG 3.36Å; G201-L205 PolarHBondContact O-N 3.08Å
202	A	91.5	Very high	91.3	Very high	2 Å²	2	21.2 Å²	21.2	2%	0.017	11%	0.11	C	C	.	.	H	α-helix	trans	-64	-48.1	177.5	0	0	0	0	0	111.8	E198 F199 L205 C206 I651	E198-A202 WeakPolarHBondContact O-CB 3.39Å; E198-A202 PolarHBondContact O-N 3.5Å; E198-A202 VanDerWaalsContact O-N 3.16Å; F199-A202 PolarHBondContact O-N 2.87Å; A202-L205 PolarHBondContact O-N 3.37Å; A202-C206 PolarHBondContact O-N 3.3Å; A202-C206 VanDerWaalsContact O-N 3.14Å; A202-C206 PolarHBondContact O-SG 3.16Å; A202-I651 HydrophobicContact CB-CG2 4.42Å
203	V	92.8	Very high	91.5	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.018	11%	0.114	C	C	.	.	H	α-helix	trans	-62	-44.2	176.5	174.1	0	0	0	0	110.7	I191 F199 C206 F207 F594 V595	I191-V203 HydrophobicContact CD1-CG1 4.13Å; I191-V203 HydrophobicContact CG2-CG1 4.44Å; F199-V203 VanDerWaalsContact O-CB 3.23Å; F199-V203 WeakPolarHBondContact O-CB 3.46Å; F199-V203 WeakPolarHBondContact O-CG2 3.44Å; F199-V203 PolarHBondContact O-N 3.2Å; V203-C206 PolarHBondContact O-N 2.88Å; V203-F207 VanDerWaalsContact O-CB 3.3Å; V203-F207 WeakPolarHBondContact O-CB 3.44Å; V203-F207 PolarHBondContact O-N 3.1Å; V203-F594 HydrophobicContact CG2-CB 3.63Å; V203-V595 HydrophobicContact CG1-CG2 3.87Å; V203-V595 HydrophobicContact CG2-CG2 4.28Å
204	G	92.3	Very high	91.8	Very high	3 Å²	3	16.2 Å²	16.2	3%	0.031	9%	0.092	C	C	.	.	H	α-helix	trans	-61.4	-44	179.2	0	0	0	0	0	113.2	G200 G201 F207 Y208 I536	G200-G204 WeakPolarHBondContact O-CA 3.4Å; G200-G204 PolarHBondContact O-N 2.94Å; G201-G204 PolarHBondContact O-N 3.48Å; G204-F207 PolarHBondContact O-N 3Å; G204-Y208 WeakPolarHBondContact O-CB 3.47Å; G204-Y208 PolarHBondContact O-N 3.46Å; G204-I536 VanDerWaalsContact C-CD1 3.47Å
205	L	93	Very high	92.1	Very high	26 Å²	26	15.2 Å²	15.2	14%	0.136	9%	0.085	C	C	.	.	H	α-helix	trans	-66.7	-40	177	-74.4	171.9	0	0	0	112.4	G201 A202 Y208 L209 I536 L545 I651	G201-L205 WeakPolarHBondContact O-CB 3.32Å; G201-L205 WeakPolarHBondContact O-CG 3.36Å; G201-L205 PolarHBondContact O-N 3.08Å; A202-L205 PolarHBondContact O-N 3.37Å; L205-Y208 PolarHBondContact O-N 2.9Å; L205-L209 WeakPolarHBondContact O-CG 3.22Å; L205-L209 PolarHBondContact O-N 3.1Å; L205-L209 VanDerWaalsContact O-N 3.07Å; L205-I536 HydrophobicContact CD2-CD1 4.35Å; L205-I536 HydrophobicContact CD2-CG2 4.4Å; L205-I536 HydrophobicContact CG-CD1 4.49Å; L205-L545 HydrophobicContact CD2-CD1 3.8Å; L205-I651 HydrophobicContact CD1-CD1 4.38Å; L205-I651 HydrophobicContact CD1-CG2 3.81Å
206	C	92.8	Very high	92.4	Very high	6 Å²	6	14.8 Å²	14.8	4%	0.041	8%	0.083	C	C	.	.	H	α-helix	trans	-64.7	-42.8	175.2	-61.4	0	0	0	0	111.3	A202 V203 Y208 L209 G210 M590 C591	A202-C206 PolarHBondContact O-N 3.3Å; A202-C206 VanDerWaalsContact O-N 3.14Å; A202-C206 PolarHBondContact O-SG 3.16Å; V203-C206 PolarHBondContact O-N 2.88Å; C206-Y208 VanDerWaalsContact C-N 3.35Å; C206-L209 PolarHBondContact O-N 3.06Å; C206-G210 PolarHBondContact O-N 3.33Å; C206-M590 HydrophobicContact CB-CE 4.15Å; C206-M590 WeakPolarHBondContact SG-CE 3.48Å; C206-C591 HydrophobicContact CB-CB 4.21Å
207	F	93.7	Very high	92.8	Very high	23 Å²	23	14 Å²	14	10%	0.101	8%	0.075	C	C	.	.	H	α-helix	trans	-66.1	-36.4	177.4	-176.7	-134.1	0	0	0	112.2	V203 G204 T211 M438 L532 F588	V203-F207 VanDerWaalsContact O-CB 3.3Å; V203-F207 WeakPolarHBondContact O-CB 3.44Å; V203-F207 PolarHBondContact O-N 3.1Å; G204-F207 PolarHBondContact O-N 3Å; F207-T211 WeakPolarHBondContact O-CB 3.41Å; F207-T211 PolarHBondContact O-N 3.45Å; F207-T211 PolarHBondContact O-OG1 3.02Å; F207-M438 HydrophobicContact CD1-SD 4.08Å; F207-M438 HydrophobicContact CD2-SD 3.96Å; F207-M438 HydrophobicContact CE1-CB 4.4Å; F207-M438 HydrophobicContact CE1-SD 4.15Å; F207-M438 HydrophobicContact CE2-CB 4.27Å; F207-M438 HydrophobicContact CE2-SD 4.02Å; F207-M438 HydrophobicContact CG-SD 4.02Å; F207-M438 HydrophobicContact CZ-CB 3.9Å; F207-M438 HydrophobicContact CZ-SD 4.13Å; F207-L532 HydrophobicContact CB-CD2 4.09Å; F207-L532 HydrophobicContact CD1-CD1 4.32Å; F207-L532 HydrophobicContact CD1-CD2 3.29Å; F207-L532 HydrophobicContact CD1-CG 4.44Å; F207-L532 HydrophobicContact CE1-CD2 3.93Å; F207-L532 HydrophobicContact CG-CD2 3.93Å; F207-F588 HydrophobicContact CD2-CD1 4.45Å; F207-F588 AromaticContact CD2-CE1 3.74Å; F207-F588 HydrophobicContact CD2-CE1 3.74Å; F207-F588 HydrophobicContact CD2-CZ 4.43Å; F207-F588 AromaticContact CE2-CE1 3.74Å; F207-F588 HydrophobicContact CE2-CE1 3.74Å; F207-F588 HydrophobicContact CE2-CZ 4.36Å
208	Y	94.8	Very high	93.2	Very high	8 Å²	8	12.1 Å²	12.1	3%	0.031	6%	0.061	C	C	.	.	H	α-helix	trans	-60	-50.9	172	165.4	-104.7	0	0	0	112	G204 L205 C206 T211 T212 A529 L533 T564 I567	G204-Y208 WeakPolarHBondContact O-CB 3.47Å; G204-Y208 PolarHBondContact O-N 3.46Å; L205-Y208 PolarHBondContact O-N 2.9Å; C206-Y208 VanDerWaalsContact C-N 3.35Å; Y208-T211 PolarHBondContact O-N 3.47Å; Y208-T212 WeakPolarHBondContact O-CB 3.4Å; Y208-T212 PolarHBondContact O-N 3.35Å; Y208-T212 PolarHBondContact O-OG1 2.75Å; Y208-A529 HydrophobicContact CD2-CB 3.89Å; Y208-A529 VanDerWaalsContact CD2-O 3.29Å; Y208-A529 WeakPolarHBondContact CD2-O 3.44Å; Y208-A529 HydrophobicContact CE2-CB 4Å; Y208-L533 HydrophobicContact CD2-CB 3.85Å; Y208-L533 HydrophobicContact CE1-CD2 4.34Å; Y208-L533 HydrophobicContact CE2-CB 3.82Å; Y208-L533 HydrophobicContact CE2-CD2 3.92Å; Y208-L533 HydrophobicContact CE2-CG 4.38Å; Y208-L533 HydrophobicContact CG-CB 4.47Å; Y208-T564 PolarHBondContact OH-OG1 3.04Å; Y208-I567 HydrophobicContact CE1-CD1 4.01Å
209	L	94.3	Very high	93.5	Very high	53 Å²	53	9.9 Å²	9.9	28%	0.277	5%	0.05	S	C	.	.	H	α-helix	trans	-63.1	-45.3	178.8	-69.3	175.1	0	0	0	111.3	L205 C206 T211 T212 F213 I567 F587	L205-L209 WeakPolarHBondContact O-CG 3.22Å; L205-L209 PolarHBondContact O-N 3.1Å; L205-L209 VanDerWaalsContact O-N 3.07Å; C206-L209 PolarHBondContact O-N 3.06Å; L209-T211 PolarHBondContact O-N 2.72Å; L209-T212 PolarHBondContact O-N 3.32Å; L209-F213 WeakPolarHBondContact O-CD2 3.41Å; L209-F213 PolarHBondContact O-N 3.49Å; L209-I567 HydrophobicContact CD2-CD1 4.34Å; L209-F587 HydrophobicContact CB-CD1 3.95Å; L209-F587 HydrophobicContact CB-CD2 4.25Å; L209-F587 HydrophobicContact CB-CE1 4.03Å; L209-F587 HydrophobicContact CB-CE2 4.3Å; L209-F587 HydrophobicContact CB-CG 4.08Å; L209-F587 HydrophobicContact CB-CZ 4.2Å; L209-F587 HydrophobicContact CD1-CD1 4.19Å; L209-F587 HydrophobicContact CD1-CE1 3.64Å; L209-F587 HydrophobicContact CD1-CZ 4.06Å; L209-F587 HydrophobicContact CG-CE1 4.48Å
210	G	93.7	Very high	93.7	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-57.7	-46.7	176.2	0	0	0	0	0	112.7	C206 T212 F213 A214 F588	C206-G210 PolarHBondContact O-N 3.33Å; G210-T212 VanDerWaalsContact C-N 3.33Å; G210-T212 PolarHBondContact O-N 3.23Å; G210-F213 PolarHBondContact O-N 2.83Å; G210-A214 WeakPolarHBondContact O-CB 3.48Å; G210-A214 PolarHBondContact O-N 3.08Å; G210-F588 VanDerWaalsContact C-CE2 3.44Å; G210-F588 WeakPolarHBondContact O-CE2 3.1Å
211	T	93.9	Very high	93.9	Very high	16 Å²	16	8.8 Å²	8.8	10%	0.098	5%	0.046	C	C	.	.	H	α-helix	trans	-67	-34	178.4	-53.7	0	0	0	0	112.1	F207 Y208 L209 A214 G215 A529	F207-T211 WeakPolarHBondContact O-CB 3.41Å; F207-T211 PolarHBondContact O-N 3.45Å; F207-T211 PolarHBondContact O-OG1 3.02Å; Y208-T211 PolarHBondContact O-N 3.47Å; L209-T211 PolarHBondContact O-N 2.72Å; T211-A214 WeakPolarHBondContact O-CB 3.33Å; T211-A214 PolarHBondContact O-N 3.08Å; T211-G215 PolarHBondContact O-N 3.08Å; T211-A529 HydrophobicContact CG2-CB 4.02Å
212	T	95.5	Very high	94.1	Very high	1 Å²	1	9 Å²	9	1%	0.006	5%	0.047	C	C	.	.	H	α-helix	trans	-68.7	-45.8	178.3	-54.5	0	0	0	0	111.8	Y208 L209 G210 A214 G215 A216 T564 I567 C568	Y208-T212 WeakPolarHBondContact O-CB 3.4Å; Y208-T212 PolarHBondContact O-N 3.35Å; Y208-T212 PolarHBondContact O-OG1 2.75Å; L209-T212 PolarHBondContact O-N 3.32Å; G210-T212 VanDerWaalsContact C-N 3.33Å; G210-T212 PolarHBondContact O-N 3.23Å; T212-A214 PolarHBondContact O-N 3.46Å; T212-G215 PolarHBondContact O-N 3.1Å; T212-A216 PolarHBondContact O-N 2.79Å; T212-T564 HydrophobicContact CG2-CG2 3.77Å; T212-T564 WeakPolarHBondContact CG2-O 3.39Å; T212-I567 HydrophobicContact CG2-CB 3.69Å; T212-I567 HydrophobicContact CG2-CG2 3.59Å; T212-C568 HydrophobicContact CG2-CB 4.32Å
213	F	95.3	Very high	94.2	Very high	24 Å²	24	8.9 Å²	8.9	11%	0.105	5%	0.046	C	C	.	.	H	α-helix	trans	-65.7	-27.6	172	-80.3	-75	0	0	0	112.1	L209 G210 G215 A216 M217 I567 V580 I583 L584 F587	L209-F213 WeakPolarHBondContact O-CD2 3.41Å; L209-F213 PolarHBondContact O-N 3.49Å; G210-F213 PolarHBondContact O-N 2.83Å; F213-G215 VanDerWaalsContact C-N 3.34Å; F213-A216 WeakPolarHBondContact O-CB 3.41Å; F213-A216 PolarHBondContact O-N 3.06Å; F213-M217 PolarHBondContact O-N 2.95Å; F213-I567 HydrophobicContact CE2-CG2 4.21Å; F213-I567 HydrophobicContact CZ-CG2 4.37Å; F213-V580 HydrophobicContact CD1-CG1 4.41Å; F213-I583 HydrophobicContact CD1-CG2 4.32Å; F213-I583 HydrophobicContact CD2-CG2 4.34Å; F213-I583 HydrophobicContact CE1-CG2 4.27Å; F213-I583 HydrophobicContact CE2-CG2 4.29Å; F213-I583 HydrophobicContact CG-CG2 4.37Å; F213-I583 HydrophobicContact CZ-CG2 4.26Å; F213-L584 HydrophobicContact CB-CB 4.28Å; F213-F587 HydrophobicContact CD2-CD2 4.05Å; F213-F587 AromaticContact CD2-CE2 3.71Å; F213-F587 HydrophobicContact CD2-CE2 3.71Å; F213-F587 HydrophobicContact CE2-CD2 4.47Å; F213-F587 AromaticContact CE2-CE2 3.68Å; F213-F587 HydrophobicContact CE2-CE2 3.68Å; F213-F587 HydrophobicContact CE2-CZ 4.39Å
214	A	94.7	Very high	94.2	Very high	4 Å²	4	9.1 Å²	9.1	3%	0.033	5%	0.047	C	C	.	.	H	α-helix	trans	-64.5	-40.7	172.8	0	0	0	0	0	111.3	G210 T211 T212 A216 M217 Y218 L584	G210-A214 WeakPolarHBondContact O-CB 3.48Å; G210-A214 PolarHBondContact O-N 3.08Å; T211-A214 WeakPolarHBondContact O-CB 3.33Å; T211-A214 PolarHBondContact O-N 3.08Å; T212-A214 PolarHBondContact O-N 3.46Å; A214-A216 VanDerWaalsContact C-N 3.3Å; A214-A216 PolarHBondContact O-N 2.81Å; A214-M217 PolarHBondContact O-N 2.91Å; A214-Y218 HydrophobicContact CB-CD2 4.48Å; A214-Y218 HydrophobicContact CB-CE2 4.06Å; A214-Y218 WeakPolarHBondContact O-CD2 3.23Å; A214-Y218 PolarHBondContact O-N 3.14Å; A214-L584 HydrophobicContact CB-CD1 3.46Å; A214-L584 VanDerWaalsContact CB-CD1 3.46Å
215	G	93.7	Very high	94.2	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-54.3	-46	171	0	0	0	0	0	112.2	T211 T212 F213 Y218 I219	T211-G215 PolarHBondContact O-N 3.08Å; T212-G215 PolarHBondContact O-N 3.1Å; F213-G215 VanDerWaalsContact C-N 3.34Å; G215-Y218 PolarHBondContact O-N 3.21Å; G215-I219 VanDerWaalsContact O-CG1 3.25Å; G215-I219 WeakPolarHBondContact O-CG1 3.44Å; G215-I219 PolarHBondContact O-N 3.03Å
216	A	95.4	Very high	94.2	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-64.3	-44.7	178.1	0	0	0	0	0	111.9	T212 F213 A214 Y218 I219 L220 C568 I572	T212-A216 PolarHBondContact O-N 2.79Å; F213-A216 WeakPolarHBondContact O-CB 3.41Å; F213-A216 PolarHBondContact O-N 3.06Å; A214-A216 VanDerWaalsContact C-N 3.3Å; A214-A216 PolarHBondContact O-N 2.81Å; A216-Y218 PolarHBondContact O-N 2.83Å; A216-I219 PolarHBondContact O-N 2.77Å; A216-L220 WeakPolarHBondContact O-CB 3.32Å; A216-L220 WeakPolarHBondContact O-CG 3.48Å; A216-L220 PolarHBondContact O-N 2.98Å; A216-C568 VanDerWaalsContact CA-SG 3.53Å; A216-C568 PolarHBondContact N-SG 3.44Å; A216-I572 HydrophobicContact CB-CG1 4.34Å
217	M	95	Very high	94.2	Very high	1 Å²	1	9.5 Å²	9.5	1%	0.005	5%	0.048	C	C	.	.	H	α-helix	trans	-59.4	-44.2	177.4	-173.8	-172.8	70.7	0	0	112.1	V137 I138 F213 A214 G221 P432 L577 V580 A581 L584	V137-M217 HydrophobicContact CG1-CE 4.09Å; V137-M217 HydrophobicContact CG1-CG 4.44Å; I138-M217 HydrophobicContact CD1-SD 4.48Å; F213-M217 PolarHBondContact O-N 2.95Å; A214-M217 PolarHBondContact O-N 2.91Å; M217-G221 PolarHBondContact O-N 2.93Å; M217-P432 HydrophobicContact CE-CB 3.89Å; M217-P432 HydrophobicContact SD-CB 3.84Å; M217-P432 HydrophobicContact SD-CG 4.11Å; M217-L577 HydrophobicContact CG-CG 4.15Å; M217-V580 HydrophobicContact CB-CG1 4.27Å; M217-A581 HydrophobicContact SD-CB 4.26Å; M217-L584 HydrophobicContact CE-CD1 4.36Å; M217-L584 HydrophobicContact SD-CD1 4.38Å
218	Y	94.8	Very high	93.9	Very high	12 Å²	12	9.8 Å²	9.8	5%	0.047	5%	0.054	C	C	.	.	H	α-helix	trans	-69.4	-35.7	178.4	-64.8	-44.3	0	0	0	112.9	V137 A214 G215 A216 G221 T222 A521	V137-Y218 HydrophobicContact CB-CD1 4.36Å; V137-Y218 HydrophobicContact CG1-CD1 4.05Å; V137-Y218 HydrophobicContact CG1-CE1 4.24Å; A214-Y218 HydrophobicContact CB-CD2 4.48Å; A214-Y218 HydrophobicContact CB-CE2 4.06Å; A214-Y218 WeakPolarHBondContact O-CD2 3.23Å; A214-Y218 PolarHBondContact O-N 3.14Å; G215-Y218 PolarHBondContact O-N 3.21Å; A216-Y218 PolarHBondContact O-N 2.83Å; Y218-G221 PolarHBondContact O-N 2.9Å; Y218-T222 WeakPolarHBondContact O-CB 3.42Å; Y218-T222 PolarHBondContact O-N 2.81Å; Y218-T222 PolarHBondContact O-OG1 2.85Å; Y218-A521 HydrophobicContact CD1-CB 4.03Å; Y218-A521 HydrophobicContact CD2-CB 3.66Å; Y218-A521 HydrophobicContact CE1-CB 4.11Å; Y218-A521 HydrophobicContact CE2-CB 3.75Å; Y218-A521 HydrophobicContact CG-CB 3.82Å
219	I	95.4	Very high	93.8	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-65.8	-49.2	174.2	-69	166.9	0	0	0	110.1	G215 A216 G221 T222 I223 V260 L261 M264 I572	G215-I219 VanDerWaalsContact O-CG1 3.25Å; G215-I219 WeakPolarHBondContact O-CG1 3.44Å; G215-I219 PolarHBondContact O-N 3.03Å; A216-I219 PolarHBondContact O-N 2.77Å; I219-G221 VanDerWaalsContact C-N 3.29Å; I219-G221 PolarHBondContact O-N 2.61Å; I219-T222 WeakPolarHBondContact O-CA 3.48Å; I219-T222 WeakPolarHBondContact O-CB 3.37Å; I219-T222 PolarHBondContact O-N 3.36Å; I219-I223 WeakPolarHBondContact O-CG1 3.47Å; I219-I223 PolarHBondContact O-N 2.84Å; I219-V260 HydrophobicContact CG2-CB 4.3Å; I219-V260 HydrophobicContact CG2-CG1 4.02Å; I219-L261 HydrophobicContact CD1-CB 4.07Å; I219-L261 HydrophobicContact CD1-CD1 3.68Å; I219-L261 HydrophobicContact CD1-CG 4.47Å; I219-M264 HydrophobicContact CD1-SD 4.08Å; I219-M264 HydrophobicContact CG1-SD 3.74Å; I219-I572 HydrophobicContact CB-CD1 4.36Å; I219-I572 HydrophobicContact CD1-CD1 4.26Å; I219-I572 HydrophobicContact CG2-CD1 3.81Å; I219-I572 HydrophobicContact CG2-CG1 4.47Å
220	L	95.1	Very high	93.6	Very high	2 Å²	2	9.7 Å²	9.7	1%	0.01	5%	0.053	C	C	.	.	H	α-helix	trans	-56.8	-43.9	175.5	-72.6	175.2	0	0	0	111.6	A216 T222 I223 E224 M253 I572 V580	A216-L220 WeakPolarHBondContact O-CB 3.32Å; A216-L220 WeakPolarHBondContact O-CG 3.48Å; A216-L220 PolarHBondContact O-N 2.98Å; L220-T222 VanDerWaalsContact C-N 3.31Å; L220-T222 PolarHBondContact O-N 3.24Å; L220-I223 PolarHBondContact O-N 3.2Å; L220-E224 WeakPolarHBondContact O-CB 3.3Å; L220-E224 PolarHBondContact O-N 2.93Å; L220-M253 HydrophobicContact CD2-CB 4.49Å; L220-I572 HydrophobicContact CD2-CG2 4.46Å; L220-V580 HydrophobicContact CD1-CG2 3.97Å
221	G	93.6	Very high	93.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.6	-36.6	174.6	0	0	0	0	0	113.8	M217 Y218 I219 E224 I225	M217-G221 PolarHBondContact O-N 2.93Å; Y218-G221 PolarHBondContact O-N 2.9Å; I219-G221 VanDerWaalsContact C-N 3.29Å; I219-G221 PolarHBondContact O-N 2.61Å; G221-E224 PolarHBondContact O-N 3.22Å; G221-I225 WeakPolarHBondContact O-CD1 3.34Å; G221-I225 VanDerWaalsContact O-CG1 3.29Å; G221-I225 WeakPolarHBondContact O-CG1 3.28Å; G221-I225 PolarHBondContact O-N 3.12Å
222	T	94.1	Very high	93	Very high	4 Å²	4	18.1 Å²	18.1	3%	0.025	10%	0.097	C	C	.	.	H	α-helix	trans	-65.9	-42.6	175.3	-55.5	0	0	0	0	111.3	Y218 I219 L220 I225 L226 F515 T518 C519	Y218-T222 WeakPolarHBondContact O-CB 3.42Å; Y218-T222 PolarHBondContact O-N 2.81Å; Y218-T222 PolarHBondContact O-OG1 2.85Å; I219-T222 WeakPolarHBondContact O-CA 3.48Å; I219-T222 WeakPolarHBondContact O-CB 3.37Å; I219-T222 PolarHBondContact O-N 3.36Å; L220-T222 VanDerWaalsContact C-N 3.31Å; L220-T222 PolarHBondContact O-N 3.24Å; T222-I225 PolarHBondContact O-N 3.15Å; T222-L226 WeakPolarHBondContact O-CB 3.14Å; T222-L226 PolarHBondContact O-N 3.21Å; T222-F515 HydrophobicContact CG2-CD2 3.88Å; T222-F515 HydrophobicContact CG2-CE2 3.57Å; T222-F515 HydrophobicContact CG2-CZ 4.28Å; T222-T518 WeakPolarHBondContact OG1-CB 3.26Å; T222-T518 PolarHBondContact OG1-OG1 3.44Å; T222-C519 HydrophobicContact CG2-CB 4.32Å; T222-C519 PolarHBondContact OG1-N 2.92Å
223	I	94.5	Very high	92.5	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-68.8	-37.8	177	-58.9	-50.4	0	0	0	111.5	I219 L220 I225 L226 L227 M253 V260	I219-I223 WeakPolarHBondContact O-CG1 3.47Å; I219-I223 PolarHBondContact O-N 2.84Å; L220-I223 PolarHBondContact O-N 3.2Å; I223-I225 VanDerWaalsContact C-N 3.34Å; I223-I225 PolarHBondContact O-N 3.34Å; I223-L226 HydrophobicContact CD1-CD2 4.38Å; I223-L226 WeakPolarHBondContact O-CB 3.49Å; I223-L226 PolarHBondContact O-N 3.48Å; I223-L227 HydrophobicContact CG2-CD1 3.56Å; I223-L227 HydrophobicContact CG2-CG 3.93Å; I223-L227 WeakPolarHBondContact O-CB 3.3Å; I223-L227 WeakPolarHBondContact O-CG 3.47Å; I223-L227 PolarHBondContact O-N 2.73Å; I223-M253 HydrophobicContact CB-SD 4.01Å; I223-M253 HydrophobicContact CG2-SD 3.57Å; I223-M253 VanDerWaalsContact CG2-SD 3.57Å; I223-V260 HydrophobicContact CD1-CB 3.99Å; I223-V260 HydrophobicContact CD1-CG2 3.45Å; I223-V260 VanDerWaalsContact CD1-CG2 3.45Å
224	E	92.5	Very high	92.1	Very high	9 Å²	9	24.6 Å²	24.6	4%	0.042	14%	0.143	C	C	.	.	H	α-helix	trans	-59.9	-46.2	174.5	-172	175	143.8	0	0	111	L141 R142 L220 G221 L226 A228 M253	L141-E224 HydrophobicContact CD1-CB 4.44Å; R142-E224 IonicContact CZ-OE1 2.82Å; R142-E224 IonicContact CZ-OE2 3.95Å; R142-E224 IonicContact NH1-OE1 3.26Å; R142-E224 PolarHBondContact NH1-OE1 3.26Å; R142-E224 IonicContact NH1-OE2 3.36Å; R142-E224 IonicContact NH2-OE1 2.85Å; R142-E224 PolarHBondContact NH2-OE1 3.46Å; R142-E224 VanDerWaalsContact NH2-OE1 3.1Å; R142-E224 IonicContact NH2-OE2 3.08Å; R142-E224 PolarHBondContact NH2-OE2 3.39Å; L220-E224 WeakPolarHBondContact O-CB 3.3Å; L220-E224 PolarHBondContact O-N 2.93Å; G221-E224 PolarHBondContact O-N 3.22Å; E224-L226 VanDerWaalsContact C-N 3.31Å; E224-L226 PolarHBondContact O-N 3.06Å; E224-A228 WeakPolarHBondContact O-CB 3.32Å; E224-A228 PolarHBondContact O-N 2.82Å; E224-M253 HydrophobicContact CB-CE 3.78Å; E224-M253 HydrophobicContact CB-SD 4.42Å; E224-M253 HydrophobicContact CG-CE 3.97Å
225	I	93.1	Very high	91.6	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-62.8	-41	176.3	-64.2	160.7	0	0	0	111.2	L141 G221 T222 I223 Y229 L230 V511 F515 T518	L141-I225 HydrophobicContact CD1-CD1 4.2Å; L141-I225 HydrophobicContact CD1-CG1 3.98Å; L141-I225 HydrophobicContact CD2-CG1 3.87Å; L141-I225 HydrophobicContact CG-CD1 4.4Å; L141-I225 HydrophobicContact CG-CG1 4.23Å; G221-I225 WeakPolarHBondContact O-CD1 3.34Å; G221-I225 VanDerWaalsContact O-CG1 3.29Å; G221-I225 WeakPolarHBondContact O-CG1 3.28Å; G221-I225 PolarHBondContact O-N 3.12Å; T222-I225 PolarHBondContact O-N 3.15Å; I223-I225 VanDerWaalsContact C-N 3.34Å; I223-I225 PolarHBondContact O-N 3.34Å; I225-Y229 HydrophobicContact CG2-CD2 4.46Å; I225-Y229 PolarHBondContact O-N 3.21Å; I225-Y229 VanDerWaalsContact O-N 3.16Å; I225-L230 PolarHBondContact O-N 3.37Å; I225-V511 HydrophobicContact CG2-CG1 4.23Å; I225-F515 HydrophobicContact CG2-CB 3.99Å; I225-F515 HydrophobicContact CG2-CD2 4.36Å; I225-T518 HydrophobicContact CD1-CG2 4.11Å
226	L	93.2	Very high	91.4	Very high	26 Å²	26	30.2 Å²	30.2	14%	0.136	18%	0.175	C	C	.	.	I	π-helix	trans	-64.7	-49.2	-179.3	-176.2	68.4	0	0	0	112.4	T222 I223 E224 L230 F231 M234 F515	T222-L226 WeakPolarHBondContact O-CB 3.14Å; T222-L226 PolarHBondContact O-N 3.21Å; I223-L226 HydrophobicContact CD1-CD2 4.38Å; I223-L226 WeakPolarHBondContact O-CB 3.49Å; I223-L226 PolarHBondContact O-N 3.48Å; E224-L226 VanDerWaalsContact C-N 3.31Å; E224-L226 PolarHBondContact O-N 3.06Å; L226-L230 HydrophobicContact CD1-CB 4.38Å; L226-L230 HydrophobicContact CD1-CD2 3.95Å; L226-L230 WeakPolarHBondContact O-CB 3.44Å; L226-L230 PolarHBondContact O-N 3.39Å; L226-F231 HydrophobicContact CD1-CD2 3.9Å; L226-F231 HydrophobicContact CD1-CE2 4.49Å; L226-F231 PolarHBondContact O-N 3.15Å; L226-M234 HydrophobicContact CD1-CE 4.12Å; L226-M234 HydrophobicContact CD2-CE 4.34Å; L226-M234 HydrophobicContact CG-CE 4.14Å; L226-F515 HydrophobicContact CB-CE2 4.33Å; L226-F515 HydrophobicContact CD1-CE2 4.17Å
227	L	91.8	Very high	91.1	Very high	16 Å²	16	34.6 Å²	34.6	8%	0.084	19%	0.194	C	C	.	.	I	π-helix	trans	-82.2	-34.4	-174.5	-67.1	-180	0	0	0	112.8	I223 P232 M234 N252 M253 Y256	I223-L227 HydrophobicContact CG2-CD1 3.56Å; I223-L227 HydrophobicContact CG2-CG 3.93Å; I223-L227 WeakPolarHBondContact O-CB 3.3Å; I223-L227 WeakPolarHBondContact O-CG 3.47Å; I223-L227 PolarHBondContact O-N 2.73Å; L227-P232 WeakPolarHBondContact O-CA 3.42Å; L227-M234 HydrophobicContact CD2-CB 4.41Å; L227-N252 HydrophobicContact CD1-CB 3.84Å; L227-M253 HydrophobicContact CD1-SD 4.39Å; L227-Y256 HydrophobicContact CD1-CD2 3.88Å; L227-Y256 HydrophobicContact CD1-CE2 4.48Å; L227-Y256 HydrophobicContact CD2-CD2 3.89Å; L227-Y256 HydrophobicContact CD2-CE2 3.81Å; L227-Y256 HydrophobicContact CG-CD2 4.39Å
228	A	88.1	Confident	90.4	Very high	28 Å²	28	41.8 Å²	41.8	23%	0.231	23%	0.225	C	C	.	.	I	π-helix	trans	-82.2	-44.5	-178.7	0	0	0	0	0	112.3	E224	E224-A228 WeakPolarHBondContact O-CB 3.32Å; E224-A228 PolarHBondContact O-N 2.82Å
229	Y	91.3	Very high	89.6	Confident	19 Å²	19	43.1 Å²	43.1	8%	0.075	24%	0.239	C	C	.	.	I	π-helix	trans	-112.5	-28.4	-165.7	-52.4	-61.3	0	0	0	114.5	L141 I225 F489 G495 L497	L141-Y229 HydrophobicContact CD2-CE2 3.85Å; I225-Y229 HydrophobicContact CG2-CD2 4.46Å; I225-Y229 PolarHBondContact O-N 3.21Å; I225-Y229 VanDerWaalsContact O-N 3.16Å; Y229-F489 WeakPolarHBondContact CE1-O 3.41Å; Y229-G495 VanDerWaalsContact CD1-O 3.31Å; Y229-G495 WeakPolarHBondContact CD1-O 3.37Å; Y229-L497 HydrophobicContact CD1-CB 4.05Å; Y229-L497 HydrophobicContact CD2-CB 4.33Å; Y229-L497 HydrophobicContact CD2-CD1 3.84Å; Y229-L497 HydrophobicContact CD2-CG 4.26Å; Y229-L497 HydrophobicContact CE1-CB 3.93Å; Y229-L497 HydrophobicContact CE1-CG 4.35Å; Y229-L497 HydrophobicContact CE2-CB 4.27Å; Y229-L497 HydrophobicContact CE2-CD1 3.8Å; Y229-L497 HydrophobicContact CE2-CG 3.91Å; Y229-L497 HydrophobicContact CG-CB 4.26Å; Y229-L497 HydrophobicContact CG-CD1 4.47Å
230	L	90.5	Very high	88.4	Confident	40 Å²	40	52.4 Å²	52.4	21%	0.209	28%	0.282	C	S	.	.	I	π-helix	trans	-93.7	-52.9	-174.4	-142	74.8	0	0	0	111.9	I225 L226 W508 V511	I225-L230 PolarHBondContact O-N 3.37Å; L226-L230 HydrophobicContact CD1-CB 4.38Å; L226-L230 HydrophobicContact CD1-CD2 3.95Å; L226-L230 WeakPolarHBondContact O-CB 3.44Å; L226-L230 PolarHBondContact O-N 3.39Å; L230-W508 HydrophobicContact CD1-CZ3 4.03Å; L230-V511 HydrophobicContact CD1-CG1 3.63Å
231	F	90.6	Very high	87.1	Confident	109 Å²	109	57.2 Å²	57.2	48%	0.478	31%	0.308	S	S	.	.			trans	-143.4	69.5	-173.7	-61.1	-70.1	0	0	0	112.4	L226 A233 M234	L226-F231 HydrophobicContact CD1-CD2 3.9Å; L226-F231 HydrophobicContact CD1-CE2 4.49Å; L226-F231 PolarHBondContact O-N 3.15Å; F231-A233 PolarHBondContact O-N 2.95Å; F231-A233 VanDerWaalsContact O-N 3.12Å; F231-M234 HydrophobicContact CB-CB 4.47Å; F231-M234 HydrophobicContact CB-CE 3.44Å; F231-M234 VanDerWaalsContact CB-CE 3.44Å; F231-M234 HydrophobicContact CB-CG 3.94Å; F231-M234 HydrophobicContact CB-SD 4.31Å; F231-M234 HydrophobicContact CD2-CE 3.68Å; F231-M234 HydrophobicContact CG-CE 3.81Å; F231-M234 WeakPolarHBondContact O-CB 3.4Å; F231-M234 PolarHBondContact O-N 3.2Å
232	P	84.8	Confident	85.6	Confident	84 Å²	84	59.3 Å²	59.3	55%	0.545	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-60.1	-23.9	178	24.4	-34.3	0	0	0	113.9	L227 M234 A235	L227-P232 WeakPolarHBondContact O-CA 3.42Å; P232-M234 PolarHBondContact O-N 3Å; P232-A235 PolarHBondContact O-N 3.04Å
233	A	85.1	Confident	84.2	Confident	84 Å²	84	63.9 Å²	63.9	69%	0.694	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-64.8	-18.2	175.6	0	0	0	0	0	114.1	F231 A235	F231-A233 PolarHBondContact O-N 2.95Å; F231-A233 VanDerWaalsContact O-N 3.12Å; A233-A235 VanDerWaalsContact C-N 3.29Å; A233-A235 PolarHBondContact O-N 3.4Å
234	M	86.8	Confident	83.2	Confident	77 Å²	77	65.1 Å²	65.1	38%	0.379	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-80.6	0.2	-179	-69.8	-157.9	-65.7	0	0	114.4	L226 L227 F231 P232 I236 Y256	L226-M234 HydrophobicContact CD1-CE 4.12Å; L226-M234 HydrophobicContact CD2-CE 4.34Å; L226-M234 HydrophobicContact CG-CE 4.14Å; L227-M234 HydrophobicContact CD2-CB 4.41Å; F231-M234 HydrophobicContact CB-CB 4.47Å; F231-M234 HydrophobicContact CB-CE 3.44Å; F231-M234 VanDerWaalsContact CB-CE 3.44Å; F231-M234 HydrophobicContact CB-CG 3.94Å; F231-M234 HydrophobicContact CB-SD 4.31Å; F231-M234 HydrophobicContact CD2-CE 3.68Å; F231-M234 HydrophobicContact CG-CE 3.81Å; F231-M234 WeakPolarHBondContact O-CB 3.4Å; F231-M234 PolarHBondContact O-N 3.2Å; P232-M234 PolarHBondContact O-N 3Å; M234-I236 PolarHBondContact O-N 3.14Å; M234-I236 VanDerWaalsContact O-N 3.16Å; M234-Y256 WeakPolarHBondContact O-CE2 3.38Å; M234-Y256 PolarHBondContact O-OH 2.95Å
235	A	85.4	Confident	82.5	Confident	26 Å²	26	70.9 Å²	70.9	22%	0.215	40%	0.397	C	S	.	.			trans	-59.4	119.1	174.4	0	0	0	0	0	111.1	P232 A233 K238	P232-A235 PolarHBondContact O-N 3.04Å; A233-A235 VanDerWaalsContact C-N 3.29Å; A233-A235 PolarHBondContact O-N 3.4Å; A235-K238 HydrophobicContact CB-CG 4.38Å; A235-K238 WeakPolarHBondContact O-CE 3.31Å
236	I	89.1	Confident	81.7	Confident	97 Å²	97	73.5 Å²	73.5	50%	0.497	42%	0.419	S	S	.	.	S	Bend	trans	-77.3	-48	-178.8	-62.9	170.2	0	0	0	109.4	M234 N252 V255 Y256	M234-I236 PolarHBondContact O-N 3.14Å; M234-I236 VanDerWaalsContact O-N 3.16Å; I236-N252 PolarHBondContact N-OD1 3.31Å; I236-V255 HydrophobicContact CD1-CG1 4.11Å; I236-Y256 HydrophobicContact CD1-CE2 3.82Å; I236-Y256 HydrophobicContact CG1-CE2 3.93Å
237	F	88.4	Confident	81.3	Confident	91 Å²	91	74.8 Å²	74.8	40%	0.399	43%	0.434	S	S	.	.	S	Bend	trans	-91.9	115.3	174.2	-55.3	-75.4	0	0	0	108.4	A248 N251 N252 V255	F237-A248 HydrophobicContact CB-CB 4.15Å; F237-N251 HydrophobicContact CD2-CB 3.63Å; F237-N251 HydrophobicContact CE2-CB 3.97Å; F237-N251 HydrophobicContact CG-CB 4.13Å; F237-N252 WeakPolarHBondContact CD2-OD1 3.13Å; F237-N252 PolarHBondContact N-OD1 2.75Å; F237-N252 PolarHBondContact O-ND2 3.18Å; F237-V255 HydrophobicContact CE2-CG2 3.92Å
238	K	81.3	Confident	81.1	Confident	152 Å²	152	74.6 Å²	74.6	66%	0.661	44%	0.435	S	S	*	.			trans	-113.9	129.8	170.8	-64	-178.5	-178.8	179.4	0	107.3	A235	A235-K238 HydrophobicContact CB-CG 4.38Å; A235-K238 WeakPolarHBondContact O-CE 3.31Å
239	A	77.1	Confident	81	Confident	40 Å²	40	76 Å²	76	33%	0.331	44%	0.437	S	S	.	.			trans	-78.1	146.4	175.7	0	0	0	0	0	110	D241 E245 A248	A239-D241 WeakPolarHBondContact CB-O 3.34Å; A239-E245 HydrophobicContact CB-CB 4.3Å; A239-A248 HydrophobicContact CB-CB 4.13Å
240	E	70.8	Confident	80.9	Confident	195 Å²	195	78 Å²	78	91%	0.911	45%	0.449	S	S	*	.	S	Bend	trans	-79.2	-34	172.2	-66.4	-177.4	164.7	0	0	111.1
241	D	66.4	Low	81	Confident	103 Å²	103	79 Å²	79	55%	0.551	45%	0.454	S	S	*	.	S	Bend	trans	-114.1	148.7	-179.4	-54.3	-32.7	0	0	0	111.2	A239 S243 G244	A239-D241 WeakPolarHBondContact CB-O 3.34Å; D241-S243 PolarHBondContact O-N 2.75Å; D241-G244 PolarHBondContact O-N 3.29Å
242	A	64	Low	81.2	Confident	44 Å²	44	74.1 Å²	74.1	36%	0.364	43%	0.433	S	S	.	.	H	α-helix	trans	-58.9	-33.7	-179.4	0	0	0	0	0	112.4	G244 E245 D411	A242-G244 PolarHBondContact O-N 3.26Å; A242-E245 WeakPolarHBondContact O-CB 3.22Å; A242-E245 PolarHBondContact O-N 2.75Å; A242-D411 WeakPolarHBondContact CB-OD1 3.28Å
243	S	63.3	Low	81.5	Confident	101 Å²	101	70.5 Å²	70.5	71%	0.706	41%	0.409	S	S	*	.	H	α-helix	trans	-62	-27.3	176.6	70.4	0	0	0	0	113.9	D241	D241-S243 PolarHBondContact O-N 2.75Å
244	G	74.3	Confident	82	Confident	26 Å²	26	70.3 Å²	70.3	27%	0.268	39%	0.39	S	S	.	.	H	α-helix	trans	-88.5	-12.4	179.5	0	0	0	0	0	114.1	D241 A242 A246 A247 A248	D241-G244 PolarHBondContact O-N 3.29Å; A242-G244 PolarHBondContact O-N 3.26Å; G244-A246 PolarHBondContact O-N 2.86Å; G244-A247 PolarHBondContact O-N 3.38Å; G244-A248 PolarHBondContact O-N 2.97Å
245	E	76.6	Confident	82.4	Confident	129 Å²	129	69.9 Å²	69.9	60%	0.603	39%	0.392	S	S	*	.	H	α-helix	trans	-63.6	-43.9	-170	-171.1	169.8	-169.7	0	0	112.3	A239 A242 A247 A248 M249	A239-E245 HydrophobicContact CB-CB 4.3Å; A242-E245 WeakPolarHBondContact O-CB 3.22Å; A242-E245 PolarHBondContact O-N 2.75Å; E245-A247 VanDerWaalsContact C-N 3.32Å; E245-A247 PolarHBondContact O-N 2.84Å; E245-A248 PolarHBondContact O-N 3.45Å; E245-M249 WeakPolarHBondContact O-CB 3.21Å; E245-M249 PolarHBondContact O-N 2.97Å
246	A	77.2	Confident	82.9	Confident	56 Å²	56	70.9 Å²	70.9	46%	0.463	39%	0.39	S	S	.	.	H	α-helix	trans	-60.5	-40.8	176.2	0	0	0	0	0	112.2	G244 M249 L250	G244-A246 PolarHBondContact O-N 2.86Å; A246-M249 PolarHBondContact O-N 2.91Å; A246-L250 WeakPolarHBondContact O-CG 3.23Å; A246-L250 PolarHBondContact O-N 2.81Å
247	A	84.4	Confident	83.2	Confident	54 Å²	54	66.3 Å²	66.3	45%	0.446	37%	0.367	S	S	.	.	H	α-helix	trans	-68.8	-39.2	177.9	0	0	0	0	0	111.7	G244 E245 L250 N251	G244-A247 PolarHBondContact O-N 3.38Å; E245-A247 VanDerWaalsContact C-N 3.32Å; E245-A247 PolarHBondContact O-N 2.84Å; A247-L250 PolarHBondContact O-N 2.91Å; A247-N251 PolarHBondContact O-N 3.32Å; A247-N251 VanDerWaalsContact O-N 3.08Å; A247-N251 PolarHBondContact O-ND2 2.94Å
248	A	87.8	Confident	83.6	Confident	12 Å²	12	64.1 Å²	64.1	10%	0.099	36%	0.361	C	S	.	.	H	α-helix	trans	-63.2	-43.9	174.8	0	0	0	0	0	111.4	F237 A239 G244 E245 L250 N251 N252	F237-A248 HydrophobicContact CB-CB 4.15Å; A239-A248 HydrophobicContact CB-CB 4.13Å; G244-A248 PolarHBondContact O-N 2.97Å; E245-A248 PolarHBondContact O-N 3.45Å; A248-L250 PolarHBondContact O-N 2.88Å; A248-N251 PolarHBondContact O-N 3.25Å; A248-N252 PolarHBondContact O-N 2.77Å; A248-N252 PolarHBondContact O-ND2 3.46Å
249	M	86.1	Confident	84.3	Confident	56 Å²	56	60.8 Å²	60.8	28%	0.276	36%	0.356	S	S	.	.	H	α-helix	trans	-59.5	-45.9	175.7	-171.1	177.6	-174.6	0	0	111.6	E245 A246 N251 N252 M253 F489	E245-M249 WeakPolarHBondContact O-CB 3.21Å; E245-M249 PolarHBondContact O-N 2.97Å; A246-M249 PolarHBondContact O-N 2.91Å; M249-N251 VanDerWaalsContact C-N 3.32Å; M249-N251 PolarHBondContact O-N 2.8Å; M249-N252 WeakPolarHBondContact O-CB 3.44Å; M249-N252 PolarHBondContact O-N 2.93Å; M249-M253 HydrophobicContact CE-CE 3.56Å; M249-M253 HydrophobicContact CG-CE 4.25Å; M249-M253 VanDerWaalsContact O-CG 3.3Å; M249-M253 WeakPolarHBondContact O-CG 3.28Å; M249-M253 PolarHBondContact O-N 3.13Å; M249-F489 HydrophobicContact CE-CD1 4.31Å; M249-F489 HydrophobicContact CE-CE1 3.86Å; M249-F489 HydrophobicContact CE-CZ 4.27Å; M249-F489 HydrophobicContact SD-CZ 4.42Å
250	L	89.8	Confident	85.1	Confident	62 Å²	62	60.5 Å²	60.5	33%	0.325	35%	0.35	S	S	.	.	H	α-helix	trans	-60.6	-39.7	176.2	-68.5	171.6	0	0	0	112.2	A246 A247 A248 M253 R254 A575	A246-L250 WeakPolarHBondContact O-CG 3.23Å; A246-L250 PolarHBondContact O-N 2.81Å; A247-L250 PolarHBondContact O-N 2.91Å; A248-L250 PolarHBondContact O-N 2.88Å; L250-M253 WeakPolarHBondContact O-CB 3.48Å; L250-M253 PolarHBondContact O-N 3.4Å; L250-R254 WeakPolarHBondContact O-CG 3.41Å; L250-R254 PolarHBondContact O-N 2.8Å; L250-R254 VanDerWaalsContact O-N 3.08Å; L250-A575 HydrophobicContact CB-CB 4.17Å; L250-A575 HydrophobicContact CD2-CB 3.89Å
251	N	92.5	Very high	86.3	Confident	61 Å²	61	51.5 Å²	51.5	33%	0.326	31%	0.308	S	S	.	.	H	α-helix	trans	-66.5	-37.8	176.2	-72.4	-26.2	0	0	0	112.4	F237 A247 A248 M249 R254 V255	F237-N251 HydrophobicContact CD2-CB 3.63Å; F237-N251 HydrophobicContact CE2-CB 3.97Å; F237-N251 HydrophobicContact CG-CB 4.13Å; A247-N251 PolarHBondContact O-N 3.32Å; A247-N251 VanDerWaalsContact O-N 3.08Å; A247-N251 PolarHBondContact O-ND2 2.94Å; A248-N251 PolarHBondContact O-N 3.25Å; M249-N251 VanDerWaalsContact C-N 3.32Å; M249-N251 PolarHBondContact O-N 2.8Å; N251-R254 PolarHBondContact O-N 3.11Å; N251-R254 PolarHBondContact OD1-NH1 3.43Å; N251-V255 PolarHBondContact O-N 2.79Å
252	N	93.5	Very high	87.7	Confident	7 Å²	7	50.5 Å²	50.5	4%	0.037	31%	0.306	C	S	.	.	H	α-helix	trans	-61.9	-44.6	172.3	-70	-48.6	0	0	0	111.1	L227 I236 F237 A248 M249 R254 V255 Y256	L227-N252 HydrophobicContact CD1-CB 3.84Å; I236-N252 PolarHBondContact N-OD1 3.31Å; F237-N252 WeakPolarHBondContact CD2-OD1 3.13Å; F237-N252 PolarHBondContact N-OD1 2.75Å; F237-N252 PolarHBondContact O-ND2 3.18Å; A248-N252 PolarHBondContact O-N 2.77Å; A248-N252 PolarHBondContact O-ND2 3.46Å; M249-N252 WeakPolarHBondContact O-CB 3.44Å; M249-N252 PolarHBondContact O-N 2.93Å; N252-R254 VanDerWaalsContact C-N 3.29Å; N252-R254 PolarHBondContact O-N 2.96Å; N252-V255 PolarHBondContact O-N 2.8Å; N252-Y256 HydrophobicContact CB-CD2 4.41Å; N252-Y256 WeakPolarHBondContact O-CB 3.38Å; N252-Y256 VanDerWaalsContact O-CD2 3.31Å; N252-Y256 WeakPolarHBondContact O-CD2 3.35Å; N252-Y256 PolarHBondContact O-N 2.91Å
253	M	92.3	Very high	89.2	Confident	8 Å²	8	52 Å²	52	4%	0.039	31%	0.313	C	S	.	.	H	α-helix	trans	-57.7	-40.9	177.3	-67.2	-71.2	-178.2	0	0	112.2	L220 I223 E224 L227 M249 L250 G257 A575	L220-M253 HydrophobicContact CD2-CB 4.49Å; I223-M253 HydrophobicContact CB-SD 4.01Å; I223-M253 HydrophobicContact CG2-SD 3.57Å; I223-M253 VanDerWaalsContact CG2-SD 3.57Å; E224-M253 HydrophobicContact CB-CE 3.78Å; E224-M253 HydrophobicContact CB-SD 4.42Å; E224-M253 HydrophobicContact CG-CE 3.97Å; L227-M253 HydrophobicContact CD1-SD 4.39Å; M249-M253 HydrophobicContact CE-CE 3.56Å; M249-M253 HydrophobicContact CG-CE 4.25Å; M249-M253 VanDerWaalsContact O-CG 3.3Å; M249-M253 WeakPolarHBondContact O-CG 3.28Å; M249-M253 PolarHBondContact O-N 3.13Å; L250-M253 WeakPolarHBondContact O-CB 3.48Å; L250-M253 PolarHBondContact O-N 3.4Å; M253-G257 VanDerWaalsContact O-CA 3.32Å; M253-G257 WeakPolarHBondContact O-CA 3.33Å; M253-G257 PolarHBondContact O-N 2.6Å; M253-A575 HydrophobicContact CB-CB 4.26Å
254	R	95.3	Very high	90.6	Very high	80 Å²	80	47.7 Å²	47.7	30%	0.302	28%	0.282	S	S	.	.	H	α-helix	trans	-62	-54	177.4	-68.3	171.1	-179.8	132.8	4.6	111.7	L250 N251 N252 G257 T258 L573 A575	L250-R254 WeakPolarHBondContact O-CG 3.41Å; L250-R254 PolarHBondContact O-N 2.8Å; L250-R254 VanDerWaalsContact O-N 3.08Å; N251-R254 PolarHBondContact O-N 3.11Å; N251-R254 PolarHBondContact OD1-NH1 3.43Å; N252-R254 VanDerWaalsContact C-N 3.29Å; N252-R254 PolarHBondContact O-N 2.96Å; R254-G257 PolarHBondContact O-N 3.1Å; R254-T258 WeakPolarHBondContact O-CB 3.41Å; R254-T258 PolarHBondContact O-N 3.1Å; R254-T258 PolarHBondContact O-OG1 2.93Å; R254-L573 PolarHBondContact NE-O 3.3Å; R254-A575 HydrophobicContact CG-CB 3.63Å
255	V	95.6	Very high	91.5	Very high	67 Å²	67	47.1 Å²	47.1	41%	0.406	28%	0.275	S	S	.	.	H	α-helix	trans	-64.5	-49.5	-175.3	174.6	0	0	0	0	111.1	I236 F237 N251 N252 T258 C259	I236-V255 HydrophobicContact CD1-CG1 4.11Å; F237-V255 HydrophobicContact CE2-CG2 3.92Å; N251-V255 PolarHBondContact O-N 2.79Å; N252-V255 PolarHBondContact O-N 2.8Å; V255-T258 PolarHBondContact O-N 3.49Å; V255-C259 PolarHBondContact O-N 2.8Å; V255-C259 VanDerWaalsContact O-N 3.11Å
256	Y	95.4	Very high	92.3	Very high	48 Å²	48	44.6 Å²	44.6	19%	0.188	27%	0.268	C	S	.	.	H	α-helix	trans	-68.3	-37	179	-77.3	-69.2	0	0	0	112.2	L227 M234 I236 N252 C259 V260	L227-Y256 HydrophobicContact CD1-CD2 3.88Å; L227-Y256 HydrophobicContact CD1-CE2 4.48Å; L227-Y256 HydrophobicContact CD2-CD2 3.89Å; L227-Y256 HydrophobicContact CD2-CE2 3.81Å; L227-Y256 HydrophobicContact CG-CD2 4.39Å; M234-Y256 WeakPolarHBondContact O-CE2 3.38Å; M234-Y256 PolarHBondContact O-OH 2.95Å; I236-Y256 HydrophobicContact CD1-CE2 3.82Å; I236-Y256 HydrophobicContact CG1-CE2 3.93Å; N252-Y256 HydrophobicContact CB-CD2 4.41Å; N252-Y256 WeakPolarHBondContact O-CB 3.38Å; N252-Y256 VanDerWaalsContact O-CD2 3.31Å; N252-Y256 WeakPolarHBondContact O-CD2 3.35Å; N252-Y256 PolarHBondContact O-N 2.91Å; Y256-C259 PolarHBondContact O-N 2.82Å; Y256-V260 PolarHBondContact O-N 2.81Å
257	G	95.2	Very high	93	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.6	-47	174.7	0	0	0	0	0	112.2	M253 R254 C259 V260 L261	M253-G257 VanDerWaalsContact O-CA 3.32Å; M253-G257 WeakPolarHBondContact O-CA 3.33Å; M253-G257 PolarHBondContact O-N 2.6Å; R254-G257 PolarHBondContact O-N 3.1Å; G257-C259 VanDerWaalsContact C-N 3.31Å; G257-C259 PolarHBondContact O-N 3.3Å; G257-V260 PolarHBondContact O-N 2.74Å; G257-L261 WeakPolarHBondContact O-CB 3.43Å; G257-L261 PolarHBondContact O-N 3.47Å
258	T	96.2	Very high	93.3	Very high	45 Å²	45	42.7 Å²	42.7	28%	0.276	25%	0.245	S	C	.	.	H	α-helix	trans	-60.1	-42.6	176.9	-49.7	0	0	0	0	111.1	R254 V255 T262 E569	R254-T258 WeakPolarHBondContact O-CB 3.41Å; R254-T258 PolarHBondContact O-N 3.1Å; R254-T258 PolarHBondContact O-OG1 2.93Å; V255-T258 PolarHBondContact O-N 3.49Å; T258-T262 WeakPolarHBondContact O-CB 3.22Å; T258-T262 PolarHBondContact O-N 2.92Å; T258-T262 PolarHBondContact O-OG1 3.43Å; T258-E569 PolarHBondContact OG1-OE1 3.47Å
259	C	95.9	Very high	93.4	Very high	82 Å²	82	47.1 Å²	47.1	55%	0.554	26%	0.262	S	S	*	.	H	α-helix	trans	-63.1	-48	177.8	-175.1	0	0	0	0	111.6	V255 Y256 G257 T262 C263	V255-C259 PolarHBondContact O-N 2.8Å; V255-C259 VanDerWaalsContact O-N 3.11Å; Y256-C259 PolarHBondContact O-N 2.82Å; G257-C259 VanDerWaalsContact C-N 3.31Å; G257-C259 PolarHBondContact O-N 3.3Å; C259-T262 PolarHBondContact O-N 3.27Å; C259-C263 WeakPolarHBondContact O-CB 3.41Å; C259-C263 PolarHBondContact O-N 3Å
260	V	95.1	Very high	93.5	Very high	35 Å²	35	49.6 Å²	49.6	21%	0.212	28%	0.28	C	S	.	.	H	α-helix	trans	-66.6	-41.2	178.9	167.9	0	0	0	0	111.6	I219 I223 Y256 G257 T262 C263 M264	I219-V260 HydrophobicContact CG2-CB 4.3Å; I219-V260 HydrophobicContact CG2-CG1 4.02Å; I223-V260 HydrophobicContact CD1-CB 3.99Å; I223-V260 HydrophobicContact CD1-CG2 3.45Å; I223-V260 VanDerWaalsContact CD1-CG2 3.45Å; Y256-V260 PolarHBondContact O-N 2.81Å; G257-V260 PolarHBondContact O-N 2.74Å; V260-T262 VanDerWaalsContact C-N 3.34Å; V260-T262 PolarHBondContact O-N 3.49Å; V260-C263 PolarHBondContact O-N 2.87Å; V260-M264 HydrophobicContact CG1-CG 4.12Å; V260-M264 HydrophobicContact CG1-SD 3.53Å; V260-M264 VanDerWaalsContact CG1-SD 3.53Å; V260-M264 WeakPolarHBondContact O-CB 3.08Å; V260-M264 VanDerWaalsContact O-CG 3.25Å; V260-M264 WeakPolarHBondContact O-CG 3.36Å; V260-M264 PolarHBondContact O-N 3.3Å
261	L	96.2	Very high	92.7	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.026	27%	0.272	C	S	.	.	H	α-helix	trans	-58	-47.1	173.5	175.1	61.7	0	0	0	111.4	I219 G257 C263 M264 A265 L526 A565 C568 E569 I572	I219-L261 HydrophobicContact CD1-CB 4.07Å; I219-L261 HydrophobicContact CD1-CD1 3.68Å; I219-L261 HydrophobicContact CD1-CG 4.47Å; G257-L261 WeakPolarHBondContact O-CB 3.43Å; G257-L261 PolarHBondContact O-N 3.47Å; L261-C263 VanDerWaalsContact C-N 3.32Å; L261-C263 PolarHBondContact O-N 3Å; L261-M264 PolarHBondContact O-N 3.21Å; L261-A265 VanDerWaalsContact O-CB 3.23Å; L261-A265 WeakPolarHBondContact O-CB 3.45Å; L261-A265 PolarHBondContact O-N 3.45Å; L261-L526 HydrophobicContact CD1-CD1 3.87Å; L261-L526 HydrophobicContact CD1-CD2 3.97Å; L261-A565 WeakPolarHBondContact CD2-O 3.22Å; L261-C568 HydrophobicContact CD1-CB 4.02Å; L261-C568 HydrophobicContact CD2-CB 4.11Å; L261-E569 HydrophobicContact CD2-CB 3.92Å; L261-E569 WeakPolarHBondContact CD2-OE2 3.2Å; L261-I572 HydrophobicContact CB-CD1 3.58Å; L261-I572 HydrophobicContact CD2-CD1 3.7Å; L261-I572 HydrophobicContact CG-CD1 4.13Å
262	T	95.6	Very high	92.1	Very high	82 Å²	82	44.6 Å²	44.6	50%	0.503	26%	0.258	S	S	.	.	H	α-helix	trans	-61.5	-42.5	179.1	-57.2	0	0	0	0	111.2	T258 C259 V260 T266	T258-T262 WeakPolarHBondContact O-CB 3.22Å; T258-T262 PolarHBondContact O-N 2.92Å; T258-T262 PolarHBondContact O-OG1 3.43Å; C259-T262 PolarHBondContact O-N 3.27Å; V260-T262 VanDerWaalsContact C-N 3.34Å; V260-T262 PolarHBondContact O-N 3.49Å; T262-T266 WeakPolarHBondContact O-CB 3.26Å; T262-T266 PolarHBondContact O-N 3.42Å; T262-T266 PolarHBondContact O-OG1 2.82Å
263	C	94.4	Very high	91.5	Very high	77 Å²	77	51.7 Å²	51.7	52%	0.52	29%	0.288	S	S	.	.	H	α-helix	trans	-63	-50.5	175.7	-174	0	0	0	0	111.6	C259 V260 L261 A265 T266 V267	C259-C263 WeakPolarHBondContact O-CB 3.41Å; C259-C263 PolarHBondContact O-N 3Å; V260-C263 PolarHBondContact O-N 2.87Å; L261-C263 VanDerWaalsContact C-N 3.32Å; L261-C263 PolarHBondContact O-N 3Å; C263-A265 PolarHBondContact O-N 2.96Å; C263-T266 WeakPolarHBondContact O-CB 3.46Å; C263-T266 PolarHBondContact O-N 3.24Å; C263-T266 VanDerWaalsContact O-N 3.17Å; C263-V267 WeakPolarHBondContact O-CG2 3.25Å; C263-V267 PolarHBondContact O-N 3.01Å
264	M	93.8	Very high	90.9	Very high	9 Å²	9	58.4 Å²	58.4	4%	0.044	31%	0.314	C	S	.	.	H	α-helix	trans	-62.7	-43	179.6	-69.6	174.9	97.5	0	0	112	I219 V260 L261 T266 V267 V268 C519 L523 L526	I219-M264 HydrophobicContact CD1-SD 4.08Å; I219-M264 HydrophobicContact CG1-SD 3.74Å; V260-M264 HydrophobicContact CG1-CG 4.12Å; V260-M264 HydrophobicContact CG1-SD 3.53Å; V260-M264 VanDerWaalsContact CG1-SD 3.53Å; V260-M264 WeakPolarHBondContact O-CB 3.08Å; V260-M264 VanDerWaalsContact O-CG 3.25Å; V260-M264 WeakPolarHBondContact O-CG 3.36Å; V260-M264 PolarHBondContact O-N 3.3Å; L261-M264 PolarHBondContact O-N 3.21Å; M264-T266 VanDerWaalsContact C-N 3.29Å; M264-T266 PolarHBondContact O-N 3.02Å; M264-V267 PolarHBondContact O-N 3.41Å; M264-V268 WeakPolarHBondContact O-CG2 3.42Å; M264-V268 PolarHBondContact O-N 2.89Å; M264-C519 WeakPolarHBondContact CE-O 3.46Å; M264-L523 HydrophobicContact CB-CD2 3.91Å; M264-L523 HydrophobicContact CE-CB 4.21Å; M264-L523 HydrophobicContact CE-CD2 3.85Å; M264-L523 HydrophobicContact CE-CG 3.53Å; M264-L523 VanDerWaalsContact CE-N 3.28Å; M264-L523 HydrophobicContact CG-CD2 3.96Å; M264-L526 HydrophobicContact CB-CD2 4Å
265	A	92.8	Very high	90.3	Very high	15 Å²	15	54.8 Å²	54.8	12%	0.124	30%	0.301	C	S	.	.	H	α-helix	trans	-61.2	-38.3	175	0	0	0	0	0	111.8	L261 C263 V268 F269 L526 A565	L261-A265 VanDerWaalsContact O-CB 3.23Å; L261-A265 WeakPolarHBondContact O-CB 3.45Å; L261-A265 PolarHBondContact O-N 3.45Å; C263-A265 PolarHBondContact O-N 2.96Å; A265-V268 PolarHBondContact O-N 3.25Å; A265-F269 WeakPolarHBondContact O-CB 3.4Å; A265-F269 PolarHBondContact O-N 2.85Å; A265-L526 HydrophobicContact CB-CD2 4.02Å; A265-A565 HydrophobicContact CB-CB 4.5Å
266	T	92.9	Very high	89.5	Confident	76 Å²	76	53.4 Å²	53.4	47%	0.466	29%	0.291	S	S	.	.	H	α-helix	trans	-65.6	-43.7	175.2	-56.5	0	0	0	0	111.5	T262 C263 M264 V268 F269 V270	T262-T266 WeakPolarHBondContact O-CB 3.26Å; T262-T266 PolarHBondContact O-N 3.42Å; T262-T266 PolarHBondContact O-OG1 2.82Å; C263-T266 WeakPolarHBondContact O-CB 3.46Å; C263-T266 PolarHBondContact O-N 3.24Å; C263-T266 VanDerWaalsContact O-N 3.17Å; M264-T266 VanDerWaalsContact C-N 3.29Å; M264-T266 PolarHBondContact O-N 3.02Å; T266-V268 VanDerWaalsContact C-N 3.34Å; T266-V268 PolarHBondContact O-N 2.62Å; T266-F269 PolarHBondContact O-N 3.14Å; T266-V270 HydrophobicContact CG2-CG2 4.3Å; T266-V270 VanDerWaalsContact O-CG2 3.31Å; T266-V270 WeakPolarHBondContact O-CG2 3.47Å; T266-V270 PolarHBondContact O-N 3.18Å
267	V	91.7	Very high	88.8	Confident	60 Å²	60	58.9 Å²	58.9	36%	0.364	32%	0.316	S	S	.	.	H	α-helix	trans	-59	-46	175.9	171.5	0	0	0	0	111	C263 M264 V270 G271 V275 L523	C263-V267 WeakPolarHBondContact O-CG2 3.25Å; C263-V267 PolarHBondContact O-N 3.01Å; M264-V267 PolarHBondContact O-N 3.41Å; V267-V270 PolarHBondContact O-N 3.47Å; V267-G271 PolarHBondContact O-N 3.15Å; V267-V275 HydrophobicContact CG1-CG2 4.21Å; V267-L523 HydrophobicContact CG1-CD2 4.46Å
268	V	90.7	Very high	88.4	Confident	10 Å²	10	64.2 Å²	64.2	6%	0.061	34%	0.339	C	S	.	.	H	α-helix	trans	-63.2	-42	176.9	172.1	0	0	0	0	111.4	M264 A265 T266 V272 L523 L526 T527 L561	M264-V268 WeakPolarHBondContact O-CG2 3.42Å; M264-V268 PolarHBondContact O-N 2.89Å; A265-V268 PolarHBondContact O-N 3.25Å; T266-V268 VanDerWaalsContact C-N 3.34Å; T266-V268 PolarHBondContact O-N 2.62Å; V268-V272 HydrophobicContact CG1-CG2 4.24Å; V268-V272 WeakPolarHBondContact O-CG2 3.47Å; V268-L523 HydrophobicContact CG2-CD2 4.3Å; V268-L526 HydrophobicContact CG2-CB 4.37Å; V268-T527 HydrophobicContact CB-CG2 4.24Å; V268-T527 HydrophobicContact CG1-CG2 3.74Å; V268-T527 HydrophobicContact CG2-CG2 3.53Å; V268-L561 HydrophobicContact CB-CD1 4.4Å; V268-L561 HydrophobicContact CB-CD2 4.48Å; V268-L561 HydrophobicContact CG1-CD1 3.78Å; V268-L561 HydrophobicContact CG1-CD2 4.02Å
269	F	90.3	Very high	87.8	Confident	104 Å²	104	62 Å²	62	46%	0.456	33%	0.326	S	S	.	.	H	α-helix	trans	-66.2	-38.2	179	-175.9	-99.6	0	0	0	113.4	A265 T266 K552 T558 L561	A265-F269 WeakPolarHBondContact O-CB 3.4Å; A265-F269 PolarHBondContact O-N 2.85Å; T266-F269 PolarHBondContact O-N 3.14Å; F269-K552 VanDerWaalsContact CE1-NZ 3.34Å; F269-K552 VanDerWaalsContact CZ-NZ 3.29Å; F269-K552 PolarHBondContact O-NZ 2.89Å; F269-T558 HydrophobicContact CE2-CG2 4.14Å; F269-L561 HydrophobicContact CB-CD2 3.83Å; F269-L561 HydrophobicContact CD2-CD2 4.12Å; F269-L561 HydrophobicContact CG-CD2 4.5Å
270	V	87.7	Confident	87.2	Confident	108 Å²	108	61 Å²	61	66%	0.655	32%	0.315	S	S	*	.	H	α-helix	trans	-74.9	-44.6	-179	171.7	0	0	0	0	111.3	T266 V267	T266-V270 HydrophobicContact CG2-CG2 4.3Å; T266-V270 VanDerWaalsContact O-CG2 3.31Å; T266-V270 WeakPolarHBondContact O-CG2 3.47Å; T266-V270 PolarHBondContact O-N 3.18Å; V267-V270 PolarHBondContact O-N 3.47Å
271	G	73.4	Confident	86.9	Confident	15 Å²	15	63.3 Å²	63.3	16%	0.155	33%	0.329	C	S	.	.	H	α-helix	trans	-174.9	102	-178	0	0	0	0	0	115.5	V267 K273 Y274	V267-G271 PolarHBondContact O-N 3.15Å; G271-K273 PolarHBondContact O-N 3.5Å; G271-K273 VanDerWaalsContact O-N 3.16Å; G271-Y274 WeakPolarHBondContact O-CD2 3.15Å; G271-Y274 PolarHBondContact O-N 2.97Å
272	V	81.2	Confident	86.6	Confident	4 Å²	4	64 Å²	64	2%	0.024	33%	0.332	C	S	.	.	H	α-helix	trans	-59.5	-25.2	171.8	-175.4	0	0	0	0	113	L94 V268 Y274 V275 N276 T527 E556	L94-V272 HydrophobicContact CD2-CG1 3.16Å; V268-V272 HydrophobicContact CG1-CG2 4.24Å; V268-V272 WeakPolarHBondContact O-CG2 3.47Å; V272-Y274 PolarHBondContact O-N 3.45Å; V272-Y274 VanDerWaalsContact O-N 3.17Å; V272-V275 WeakPolarHBondContact O-CB 3.49Å; V272-V275 PolarHBondContact O-N 3.47Å; V272-N276 PolarHBondContact O-N 3.18Å; V272-N276 PolarHBondContact O-OD1 3.13Å; V272-T527 HydrophobicContact CG1-CG2 4.09Å; V272-T527 HydrophobicContact CG2-CG2 4.3Å; V272-E556 HydrophobicContact CG2-CG 4.42Å; V272-E556 WeakPolarHBondContact CG2-OE2 3.44Å
273	K	80.5	Confident	86.2	Confident	155 Å²	155	60.4 Å²	60.4	67%	0.674	31%	0.309	S	S	*	.	H	α-helix	trans	-55.7	-33.8	176.9	-66.6	-175	179.1	-178.6	0	113.5	G271 K277	G271-K273 PolarHBondContact O-N 3.5Å; G271-K273 VanDerWaalsContact O-N 3.16Å; K273-K277 PolarHBondContact O-N 3.01Å
274	Y	78.6	Confident	86	Confident	149 Å²	149	58 Å²	58	58%	0.584	30%	0.298	S	S	*	.	H	α-helix	trans	-70.7	-41.8	177.3	-62.8	-71.6	0	0	0	110.9	G271 V272 N276 K277 F278	G271-Y274 WeakPolarHBondContact O-CD2 3.15Å; G271-Y274 PolarHBondContact O-N 2.97Å; V272-Y274 PolarHBondContact O-N 3.45Å; V272-Y274 VanDerWaalsContact O-N 3.17Å; Y274-N276 VanDerWaalsContact C-N 3.3Å; Y274-N276 PolarHBondContact O-N 3.06Å; Y274-K277 PolarHBondContact O-N 3Å; Y274-K277 VanDerWaalsContact O-N 3.16Å; Y274-F278 WeakPolarHBondContact O-CD2 3.33Å; Y274-F278 PolarHBondContact O-N 3.29Å
275	V	83.2	Confident	85.9	Confident	5 Å²	5	58.8 Å²	58.8	3%	0.03	30%	0.304	C	S	.	.	H	α-helix	trans	-58.9	-43	176.5	-172.9	0	0	0	0	110.7	L94 V267 V272 K277 F278 A279 L523	L94-V275 HydrophobicContact CD1-CG1 4.22Å; L94-V275 HydrophobicContact CD2-CG1 4.46Å; V267-V275 HydrophobicContact CG1-CG2 4.21Å; V272-V275 WeakPolarHBondContact O-CB 3.49Å; V272-V275 PolarHBondContact O-N 3.47Å; V275-K277 VanDerWaalsContact C-N 3.31Å; V275-K277 PolarHBondContact O-N 2.86Å; V275-F278 PolarHBondContact O-N 2.9Å; V275-A279 PolarHBondContact O-N 3.46Å; V275-A279 VanDerWaalsContact O-N 3.17Å; V275-L523 HydrophobicContact CG1-CB 4.02Å; V275-L523 HydrophobicContact CG1-CD1 4.38Å
276	N	79.8	Confident	85.8	Confident	38 Å²	38	58.2 Å²	58.2	20%	0.203	30%	0.299	C	S	.	.	H	α-helix	trans	-58.3	-42	177.3	-66.1	9.2	0	0	0	112.3	T92 L94 V272 Y274 F278 A279	T92-N276 PolarHBondContact OG1-ND2 2.8Å; L94-N276 WeakPolarHBondContact CD1-OD1 3.48Å; L94-N276 WeakPolarHBondContact CD2-OD1 3.47Å; L94-N276 WeakPolarHBondContact CG-OD1 3.48Å; V272-N276 PolarHBondContact O-N 3.18Å; V272-N276 PolarHBondContact O-OD1 3.13Å; Y274-N276 VanDerWaalsContact C-N 3.3Å; Y274-N276 PolarHBondContact O-N 3.06Å; N276-F278 VanDerWaalsContact C-N 3.34Å; N276-F278 PolarHBondContact O-N 3.14Å; N276-A279 WeakPolarHBondContact O-CB 3.36Å; N276-A279 PolarHBondContact O-N 3.18Å
277	K	80.2	Confident	85.8	Confident	163 Å²	163	57.7 Å²	57.7	71%	0.709	29%	0.292	S	S	*	.	H	α-helix	trans	-67.4	-34.1	180	-70.9	-176.4	177.6	-173.1	0	112.7	K273 Y274 V275 A279	K273-K277 PolarHBondContact O-N 3.01Å; Y274-K277 PolarHBondContact O-N 3Å; Y274-K277 VanDerWaalsContact O-N 3.16Å; V275-K277 VanDerWaalsContact C-N 3.31Å; V275-K277 PolarHBondContact O-N 2.86Å; K277-A279 VanDerWaalsContact C-N 3.31Å
278	F	86.1	Confident	85.8	Confident	111 Å²	111	60.3 Å²	60.3	49%	0.487	30%	0.304	S	S	.	.	H	α-helix	trans	-80.6	-9.7	178.2	-69.3	-64.4	0	0	0	113.7	Y274 V275 N276 L280 V281 F282	Y274-F278 WeakPolarHBondContact O-CD2 3.33Å; Y274-F278 PolarHBondContact O-N 3.29Å; V275-F278 PolarHBondContact O-N 2.9Å; N276-F278 VanDerWaalsContact C-N 3.34Å; N276-F278 PolarHBondContact O-N 3.14Å; F278-L280 VanDerWaalsContact C-N 3.27Å; F278-L280 PolarHBondContact O-N 3.09Å; F278-V281 HydrophobicContact CD1-CG2 4.35Å; F278-V281 WeakPolarHBondContact O-CA 3.33Å; F278-V281 WeakPolarHBondContact O-CB 3.25Å; F278-V281 PolarHBondContact O-N 3.25Å; F278-F282 HydrophobicContact CB-CD2 4.31Å; F278-F282 HydrophobicContact CB-CE2 3.72Å; F278-F282 HydrophobicContact CB-CZ 3.95Å; F278-F282 VanDerWaalsContact O-CD2 3.3Å; F278-F282 WeakPolarHBondContact O-CD2 3.41Å; F278-F282 PolarHBondContact O-N 3.12Å
279	A	84.4	Confident	86	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-54.1	-41.4	-179.7	0	0	0	0	0	113.2	Y91 N93 Q132 V275 N276 K277 F282 L283	Y91-A279 HydrophobicContact CD1-CB 3.92Å; Y91-A279 HydrophobicContact CE1-CB 3.81Å; N93-A279 HydrophobicContact CB-CB 3.86Å; N93-A279 WeakPolarHBondContact OD1-CB 3.39Å; Q132-A279 PolarHBondContact NE2-O 2.97Å; V275-A279 PolarHBondContact O-N 3.46Å; V275-A279 VanDerWaalsContact O-N 3.17Å; N276-A279 WeakPolarHBondContact O-CB 3.36Å; N276-A279 PolarHBondContact O-N 3.18Å; K277-A279 VanDerWaalsContact C-N 3.31Å; A279-F282 PolarHBondContact O-N 3.16Å; A279-L283 PolarHBondContact O-N 2.94Å; A279-L283 VanDerWaalsContact O-N 3.08Å
280	L	83.3	Confident	86.1	Confident	61 Å²	61	55.7 Å²	55.7	32%	0.319	28%	0.283	S	S	.	.	H	α-helix	trans	-68.4	-35.8	178.2	-174.1	68.3	0	0	0	112	L88 Y91 F278 L283 G284	L88-L280 HydrophobicContact CB-CD2 4.17Å; L88-L280 HydrophobicContact CD2-CD1 3.6Å; L88-L280 HydrophobicContact CD2-CD2 3.95Å; L88-L280 HydrophobicContact CD2-CG 4.44Å; Y91-L280 HydrophobicContact CD1-CB 4.03Å; Y91-L280 HydrophobicContact CD1-CD1 4.29Å; F278-L280 VanDerWaalsContact C-N 3.27Å; F278-L280 PolarHBondContact O-N 3.09Å; L280-L283 PolarHBondContact O-N 2.75Å; L280-G284 PolarHBondContact O-N 3.42Å
281	V	88.5	Confident	86.4	Confident	82 Å²	82	55.3 Å²	55.3	50%	0.497	28%	0.277	S	S	.	.	H	α-helix	trans	-64.3	-47.1	177	-179.1	0	0	0	0	109.7	F278 L283 G284 C285	F278-V281 HydrophobicContact CD1-CG2 4.35Å; F278-V281 WeakPolarHBondContact O-CA 3.33Å; F278-V281 WeakPolarHBondContact O-CB 3.25Å; F278-V281 PolarHBondContact O-N 3.25Å; V281-L283 VanDerWaalsContact C-N 3.34Å; V281-L283 PolarHBondContact O-N 3.44Å; V281-G284 PolarHBondContact O-N 2.84Å; V281-G284 VanDerWaalsContact O-N 3.15Å; V281-C285 PolarHBondContact O-N 3.49Å; V281-C285 PolarHBondContact O-SG 3.08Å
282	F	88.8	Confident	87.5	Confident	20 Å²	20	55 Å²	55	9%	0.088	27%	0.273	C	S	.	.	H	α-helix	trans	-61.1	-41.7	177.3	-60.6	-43.2	0	0	0	112.3	F278 A279 C285 V286 F516 L523	F278-F282 HydrophobicContact CB-CD2 4.31Å; F278-F282 HydrophobicContact CB-CE2 3.72Å; F278-F282 HydrophobicContact CB-CZ 3.95Å; F278-F282 VanDerWaalsContact O-CD2 3.3Å; F278-F282 WeakPolarHBondContact O-CD2 3.41Å; F278-F282 PolarHBondContact O-N 3.12Å; A279-F282 PolarHBondContact O-N 3.16Å; F282-C285 WeakPolarHBondContact O-CB 3.34Å; F282-C285 PolarHBondContact O-N 3.26Å; F282-V286 WeakPolarHBondContact O-CG2 3.48Å; F282-V286 PolarHBondContact O-N 3.1Å; F282-F516 HydrophobicContact CD1-CB 4.29Å; F282-F516 VanDerWaalsContact CD1-O 3.24Å; F282-F516 WeakPolarHBondContact CD1-O 3.21Å; F282-F516 HydrophobicContact CE1-CB 4.5Å; F282-L523 HydrophobicContact CE2-CD1 4.31Å; F282-L523 HydrophobicContact CZ-CD1 4.24Å
283	L	87.7	Confident	88.1	Confident	6 Å²	6	55.1 Å²	55.1	3%	0.031	27%	0.273	C	S	.	.	H	α-helix	trans	-61.7	-43.8	173.9	178.3	61.6	0	0	0	111.8	Y91 L128 L131 Q132 A279 L280 V281 C285 V286 I287	Y91-L283 HydrophobicContact CE1-CD2 4.38Å; L128-L283 HydrophobicContact CB-CD2 4.05Å; L128-L283 HydrophobicContact CD1-CD2 4.06Å; L128-L283 HydrophobicContact CD2-CD2 4.21Å; L128-L283 HydrophobicContact CG-CD2 4.35Å; L131-L283 HydrophobicContact CD2-CD1 3.93Å; Q132-L283 HydrophobicContact CB-CD1 4.11Å; Q132-L283 HydrophobicContact CG-CD1 4.42Å; A279-L283 PolarHBondContact O-N 2.94Å; A279-L283 VanDerWaalsContact O-N 3.08Å; L280-L283 PolarHBondContact O-N 2.75Å; V281-L283 VanDerWaalsContact C-N 3.34Å; V281-L283 PolarHBondContact O-N 3.44Å; L283-C285 VanDerWaalsContact C-N 3.33Å; L283-C285 PolarHBondContact O-N 3.13Å; L283-V286 PolarHBondContact O-N 3.13Å; L283-I287 HydrophobicContact CD1-CD1 3.91Å; L283-I287 HydrophobicContact CD1-CG1 4.22Å; L283-I287 HydrophobicContact CG-CD1 3.95Å; L283-I287 WeakPolarHBondContact O-CG1 3.43Å; L283-I287 PolarHBondContact O-N 2.81Å
284	G	90.4	Very high	88.8	Confident	27 Å²	27	50.6 Å²	50.6	28%	0.278	25%	0.253	S	S	.	.	H	α-helix	trans	-57.9	-44.1	175.6	0	0	0	0	0	112.3	L280 V281 V286 I287 L288	L280-G284 PolarHBondContact O-N 3.42Å; V281-G284 PolarHBondContact O-N 2.84Å; V281-G284 VanDerWaalsContact O-N 3.15Å; G284-V286 VanDerWaalsContact C-N 3.34Å; G284-V286 PolarHBondContact O-N 2.64Å; G284-I287 PolarHBondContact O-N 2.86Å; G284-L288 WeakPolarHBondContact O-CB 3.48Å; G284-L288 VanDerWaalsContact O-CG 3.27Å; G284-L288 WeakPolarHBondContact O-CG 3.4Å; G284-L288 PolarHBondContact O-N 2.96Å
285	C	91.2	Very high	89.6	Confident	26 Å²	26	45.1 Å²	45.1	18%	0.176	24%	0.238	C	C	.	.	H	α-helix	trans	-58.7	-43.2	176.1	-67.5	0	0	0	0	112.3	V281 F282 L283 S289 F516	V281-C285 PolarHBondContact O-N 3.49Å; V281-C285 PolarHBondContact O-SG 3.08Å; F282-C285 WeakPolarHBondContact O-CB 3.34Å; F282-C285 PolarHBondContact O-N 3.26Å; L283-C285 VanDerWaalsContact C-N 3.33Å; L283-C285 PolarHBondContact O-N 3.13Å; C285-S289 WeakPolarHBondContact O-CB 3.4Å; C285-S289 PolarHBondContact O-N 2.77Å; C285-S289 PolarHBondContact O-OG 2.85Å; C285-F516 HydrophobicContact CB-CB 4.49Å
286	V	91.3	Very high	90.2	Very high	2 Å²	2	45 Å²	45	1%	0.012	24%	0.238	C	C	.	.	H	α-helix	trans	-63.9	-51	178.6	174	0	0	0	0	111.2	F135 F282 L283 G284 L288 S289 I290 S517	F135-V286 HydrophobicContact CB-CG1 3.73Å; F135-V286 HydrophobicContact CD2-CG1 3.83Å; F135-V286 HydrophobicContact CG-CG1 4Å; F282-V286 WeakPolarHBondContact O-CG2 3.48Å; F282-V286 PolarHBondContact O-N 3.1Å; L283-V286 PolarHBondContact O-N 3.13Å; G284-V286 VanDerWaalsContact C-N 3.34Å; G284-V286 PolarHBondContact O-N 2.64Å; V286-L288 PolarHBondContact O-N 3Å; V286-S289 PolarHBondContact O-N 2.78Å; V286-I290 HydrophobicContact CG1-CD1 3.87Å; V286-I290 WeakPolarHBondContact O-CG1 3.43Å; V286-I290 PolarHBondContact O-N 3.23Å; V286-S517 WeakPolarHBondContact CG2-OG 3.38Å
287	I	92.1	Very high	90.8	Very high	66 Å²	66	43.8 Å²	43.8	34%	0.338	23%	0.232	S	C	.	.	H	α-helix	trans	-62.8	-46.1	-176.9	-65.9	174	0	0	0	110.5	L283 G284 S289 I290 L291	L283-I287 HydrophobicContact CD1-CD1 3.91Å; L283-I287 HydrophobicContact CD1-CG1 4.22Å; L283-I287 HydrophobicContact CG-CD1 3.95Å; L283-I287 WeakPolarHBondContact O-CG1 3.43Å; L283-I287 PolarHBondContact O-N 2.81Å; G284-I287 PolarHBondContact O-N 2.86Å; I287-S289 VanDerWaalsContact C-N 3.29Å; I287-S289 PolarHBondContact O-N 2.71Å; I287-I290 PolarHBondContact O-N 2.84Å; I287-L291 HydrophobicContact CG2-CD1 3.97Å; I287-L291 HydrophobicContact CG2-CG 4.36Å; I287-L291 VanDerWaalsContact O-CG 3.32Å; I287-L291 WeakPolarHBondContact O-CG 3.49Å; I287-L291 PolarHBondContact O-N 3.29Å
288	L	93.1	Very high	91.4	Very high	114 Å²	114	41.3 Å²	41.3	60%	0.597	23%	0.225	S	C	*	.	H	α-helix	trans	-61.7	-37.6	177.5	-70.4	174.3	0	0	0	112.1	G284 V286 L291 A292	G284-L288 WeakPolarHBondContact O-CB 3.48Å; G284-L288 VanDerWaalsContact O-CG 3.27Å; G284-L288 WeakPolarHBondContact O-CG 3.4Å; G284-L288 PolarHBondContact O-N 2.96Å; V286-L288 PolarHBondContact O-N 3Å; L288-L291 PolarHBondContact O-N 3.15Å; L288-A292 WeakPolarHBondContact O-CB 3.32Å; L288-A292 PolarHBondContact O-N 3.22Å
289	S	93.8	Very high	91.8	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.007	22%	0.217	C	C	.	.	H	α-helix	trans	-65	-44.7	176.6	-58.5	0	0	0	0	111.8	C285 V286 I287 A292 I293 I510	C285-S289 WeakPolarHBondContact O-CB 3.4Å; C285-S289 PolarHBondContact O-N 2.77Å; C285-S289 PolarHBondContact O-OG 2.85Å; V286-S289 PolarHBondContact O-N 2.78Å; I287-S289 VanDerWaalsContact C-N 3.29Å; I287-S289 PolarHBondContact O-N 2.71Å; S289-A292 PolarHBondContact O-N 2.93Å; S289-I293 WeakPolarHBondContact O-CG1 2.87Å; S289-I293 PolarHBondContact O-N 2.81Å; S289-I293 VanDerWaalsContact O-N 3.11Å; S289-I510 WeakPolarHBondContact O-CD1 3.16Å
290	I	93	Very high	92.3	Very high	17 Å²	17	39.6 Å²	39.6	9%	0.087	22%	0.218	C	C	.	.	H	α-helix	trans	-63.8	-43.6	177.5	-66.6	169.9	0	0	0	110.9	F135 L139 F140 V286 I287 A292 I293 Y294 V468	F135-I290 HydrophobicContact CD1-CD1 4.07Å; F135-I290 HydrophobicContact CD2-CD1 3.87Å; F135-I290 HydrophobicContact CE1-CD1 3.87Å; F135-I290 HydrophobicContact CE2-CD1 3.64Å; F135-I290 HydrophobicContact CG-CD1 4.08Å; F135-I290 HydrophobicContact CZ-CD1 3.66Å; L139-I290 HydrophobicContact CD2-CD1 4.15Å; L139-I290 HydrophobicContact CD2-CG1 4.08Å; F140-I290 HydrophobicContact CZ-CG1 4.49Å; V286-I290 HydrophobicContact CG1-CD1 3.87Å; V286-I290 WeakPolarHBondContact O-CG1 3.43Å; V286-I290 PolarHBondContact O-N 3.23Å; I287-I290 PolarHBondContact O-N 2.84Å; I290-A292 VanDerWaalsContact C-N 3.32Å; I290-A292 PolarHBondContact O-N 2.65Å; I290-I293 WeakPolarHBondContact O-CB 3.33Å; I290-I293 PolarHBondContact O-N 3.04Å; I290-Y294 HydrophobicContact CG2-CD2 3.85Å; I290-Y294 HydrophobicContact CG2-CE2 3.57Å; I290-Y294 VanDerWaalsContact O-CD2 3.28Å; I290-Y294 WeakPolarHBondContact O-CD2 3.44Å; I290-Y294 PolarHBondContact O-N 3.26Å; I290-Y294 VanDerWaalsContact O-N 3.15Å; I290-V468 HydrophobicContact CG2-CG1 4.22Å
291	L	94.8	Very high	92.6	Very high	100 Å²	100	38.8 Å²	38.8	52%	0.524	22%	0.22	S	C	.	.	H	α-helix	trans	-62.8	-38.3	176.5	-68.5	175.9	0	0	0	112.1	I287 L288 I293 Y294 A295	I287-L291 HydrophobicContact CG2-CD1 3.97Å; I287-L291 HydrophobicContact CG2-CG 4.36Å; I287-L291 VanDerWaalsContact O-CG 3.32Å; I287-L291 WeakPolarHBondContact O-CG 3.49Å; I287-L291 PolarHBondContact O-N 3.29Å; L288-L291 PolarHBondContact O-N 3.15Å; L291-I293 VanDerWaalsContact C-N 3.32Å; L291-I293 PolarHBondContact O-N 3.22Å; L291-Y294 PolarHBondContact O-N 3.27Å; L291-A295 WeakPolarHBondContact O-CB 3.35Å; L291-A295 PolarHBondContact O-N 2.69Å
292	A	95.6	Very high	92.8	Very high	8 Å²	8	43.4 Å²	43.4	7%	0.066	23%	0.234	C	C	.	.	H	α-helix	trans	-63.8	-35.6	175.9	0	0	0	0	0	112.7	L288 S289 I290 G296 A503 W504 V509 I510	L288-A292 WeakPolarHBondContact O-CB 3.32Å; L288-A292 PolarHBondContact O-N 3.22Å; S289-A292 PolarHBondContact O-N 2.93Å; I290-A292 VanDerWaalsContact C-N 3.32Å; I290-A292 PolarHBondContact O-N 2.65Å; A292-G296 PolarHBondContact O-N 2.99Å; A292-A503 HydrophobicContact CB-CB 4.41Å; A292-W504 WeakPolarHBondContact CA-O 3.21Å; A292-W504 WeakPolarHBondContact CB-O 3.34Å; A292-W504 PolarHBondContact O-N 2.83Å; A292-W504 VanDerWaalsContact O-N 3.13Å; A292-V509 HydrophobicContact CB-CG1 4.09Å; A292-I510 HydrophobicContact CB-CD1 4.1Å
293	I	94.4	Very high	92.9	Very high	6 Å²	6	46.7 Å²	46.7	3%	0.031	25%	0.252	C	S	.	.	H	α-helix	trans	-64.4	-51.1	173.8	-65.9	165.8	0	0	0	110.3	F140 S289 I290 L291 A295 G296 V297 F476 V499 I510	F140-I293 HydrophobicContact CD1-CD1 4.23Å; F140-I293 HydrophobicContact CE1-CD1 3.96Å; S289-I293 WeakPolarHBondContact O-CG1 2.87Å; S289-I293 PolarHBondContact O-N 2.81Å; S289-I293 VanDerWaalsContact O-N 3.11Å; I290-I293 WeakPolarHBondContact O-CB 3.33Å; I290-I293 PolarHBondContact O-N 3.04Å; L291-I293 VanDerWaalsContact C-N 3.32Å; L291-I293 PolarHBondContact O-N 3.22Å; I293-A295 PolarHBondContact O-N 3.45Å; I293-G296 PolarHBondContact O-N 2.91Å; I293-V297 WeakPolarHBondContact O-CG2 3.49Å; I293-V297 PolarHBondContact O-N 2.81Å; I293-F476 HydrophobicContact CG2-CE1 3.75Å; I293-F476 HydrophobicContact CG2-CZ 4.24Å; I293-V499 HydrophobicContact CD1-CG2 3.51Å; I293-V499 HydrophobicContact CG1-CG2 3.74Å; I293-V499 HydrophobicContact CG2-CG2 4.36Å; I293-I510 HydrophobicContact CD1-CD1 4.25Å; I293-I510 HydrophobicContact CG1-CD1 3.82Å; I293-I510 HydrophobicContact CG1-CG1 4.47Å
294	Y	95.3	Very high	93.1	Very high	61 Å²	61	48.5 Å²	48.5	24%	0.239	26%	0.264	C	S	.	.	H	α-helix	trans	-63.6	-40.3	179.2	-75.7	-66.1	0	0	0	112.7	I290 L291 G296 V297 I298 S471 L475	I290-Y294 HydrophobicContact CG2-CD2 3.85Å; I290-Y294 HydrophobicContact CG2-CE2 3.57Å; I290-Y294 VanDerWaalsContact O-CD2 3.28Å; I290-Y294 WeakPolarHBondContact O-CD2 3.44Å; I290-Y294 PolarHBondContact O-N 3.26Å; I290-Y294 VanDerWaalsContact O-N 3.15Å; L291-Y294 PolarHBondContact O-N 3.27Å; Y294-G296 VanDerWaalsContact C-N 3.28Å; Y294-G296 PolarHBondContact O-N 2.79Å; Y294-V297 PolarHBondContact O-N 3.14Å; Y294-I298 WeakPolarHBondContact O-CG1 3.44Å; Y294-I298 PolarHBondContact O-N 3.01Å; Y294-S471 PolarHBondContact OH-OG 2.97Å; Y294-L475 HydrophobicContact CD1-CD1 3.84Å; Y294-L475 HydrophobicContact CE1-CD1 3.6Å
295	A	95.1	Very high	93.1	Very high	33 Å²	33	48.7 Å²	48.7	27%	0.273	26%	0.26	S	S	.	.	H	α-helix	trans	-60.6	-40.8	174.2	0	0	0	0	0	111.5	L291 I293 I298 K299 W504	L291-A295 WeakPolarHBondContact O-CB 3.35Å; L291-A295 PolarHBondContact O-N 2.69Å; I293-A295 PolarHBondContact O-N 3.45Å; A295-I298 PolarHBondContact O-N 3.46Å; A295-K299 WeakPolarHBondContact O-CB 3.5Å; A295-K299 PolarHBondContact O-N 3.17Å; A295-W504 HydrophobicContact CB-CB 4.46Å; A295-W504 HydrophobicContact CB-CE3 3.98Å
296	G	94.4	Very high	93	Very high	4 Å²	4	53.9 Å²	53.9	4%	0.041	29%	0.286	C	S	.	.	H	α-helix	trans	-61.2	-45.6	174.4	0	0	0	0	0	113.9	A292 I293 Y294 I298 K299 S300 L502	A292-G296 PolarHBondContact O-N 2.99Å; I293-G296 PolarHBondContact O-N 2.91Å; Y294-G296 VanDerWaalsContact C-N 3.28Å; Y294-G296 PolarHBondContact O-N 2.79Å; G296-I298 PolarHBondContact O-N 3.34Å; G296-K299 PolarHBondContact O-N 2.88Å; G296-S300 WeakPolarHBondContact O-CB 3.18Å; G296-S300 PolarHBondContact O-N 2.95Å; G296-L502 CarbonylContact C-O 3.49Å; G296-L502 WeakPolarHBondContact CA-O 3.45Å
297	V	93.2	Very high	93	Very high	12 Å²	12	56 Å²	56	7%	0.073	30%	0.295	C	S	.	.	H	α-helix	trans	-57.8	-49.7	173.8	169.4	0	0	0	0	111.1	I293 Y294 K299 S300 A301 L475 L502	I293-V297 WeakPolarHBondContact O-CG2 3.49Å; I293-V297 PolarHBondContact O-N 2.81Å; Y294-V297 PolarHBondContact O-N 3.14Å; V297-K299 VanDerWaalsContact C-N 3.34Å; V297-K299 PolarHBondContact O-N 2.87Å; V297-S300 PolarHBondContact O-N 3.5Å; V297-S300 PolarHBondContact O-OG 2.93Å; V297-A301 PolarHBondContact O-N 2.84Å; V297-L475 HydrophobicContact CG1-CB 4.4Å; V297-L475 HydrophobicContact CG1-CD1 4.12Å; V297-L475 HydrophobicContact CG1-CD2 3.74Å; V297-L475 HydrophobicContact CG1-CG 4.28Å; V297-L475 HydrophobicContact CG2-CB 4.17Å; V297-L475 HydrophobicContact CG2-CD1 4.29Å; V297-L502 HydrophobicContact CG2-CD1 4.49Å; V297-L502 HydrophobicContact CG2-CD2 3.72Å; V297-L502 HydrophobicContact CG2-CG 4.22Å
298	I	93.8	Very high	93	Very high	110 Å²	110	55.5 Å²	55.5	56%	0.564	30%	0.297	S	S	*	.	H	α-helix	trans	-62.4	-44.3	-179.5	-66.3	166	0	0	0	110.3	Y294 A295 G296 S300 A301 F302	Y294-I298 WeakPolarHBondContact O-CG1 3.44Å; Y294-I298 PolarHBondContact O-N 3.01Å; A295-I298 PolarHBondContact O-N 3.46Å; G296-I298 PolarHBondContact O-N 3.34Å; I298-S300 VanDerWaalsContact C-N 3.31Å; I298-S300 PolarHBondContact O-N 3.44Å; I298-A301 WeakPolarHBondContact O-CB 3.43Å; I298-A301 PolarHBondContact O-N 2.86Å; I298-F302 HydrophobicContact CG2-CE2 4.23Å; I298-F302 VanDerWaalsContact O-CD2 3.29Å; I298-F302 WeakPolarHBondContact O-CD2 3.38Å
299	K	94.4	Very high	93	Very high	73 Å²	73	50 Å²	50	32%	0.317	27%	0.268	S	S	.	.	H	α-helix	trans	-60.2	-42.1	175.9	-178.7	-177.9	161.4	72.8	0	111.3	A295 G296 V297 A301 F302 D303 W504	A295-K299 WeakPolarHBondContact O-CB 3.5Å; A295-K299 PolarHBondContact O-N 3.17Å; G296-K299 PolarHBondContact O-N 2.88Å; V297-K299 VanDerWaalsContact C-N 3.34Å; V297-K299 PolarHBondContact O-N 2.87Å; K299-A301 PolarHBondContact O-N 3.23Å; K299-A301 VanDerWaalsContact O-N 3.09Å; K299-F302 PolarHBondContact O-N 3.42Å; K299-D303 IonicContact NZ-OD2 2.99Å; K299-D303 PolarHBondContact NZ-OD2 3.47Å; K299-D303 CarbonylContact O-C 3.57Å; K299-D303 PolarHBondContact O-N 3.31Å; K299-W504 HydrophobicContact CD-CB 4.4Å; K299-W504 HydrophobicContact CD-CG 4.03Å
300	S	92.9	Very high	93	Very high	3 Å²	3	50 Å²	50	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-61.6	-20.2	-178.3	80.9	0	0	0	0	114.3	G296 V297 I298 F302	G296-S300 WeakPolarHBondContact O-CB 3.18Å; G296-S300 PolarHBondContact O-N 2.95Å; V297-S300 PolarHBondContact O-N 3.5Å; V297-S300 PolarHBondContact O-OG 2.93Å; I298-S300 VanDerWaalsContact C-N 3.31Å; I298-S300 PolarHBondContact O-N 3.44Å; S300-F302 VanDerWaalsContact C-N 3.29Å
301	A	91	Very high	92.9	Very high	43 Å²	43	49.2 Å²	49.2	36%	0.355	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-25.2	174.6	0	0	0	0	0	112.8	V297 I298 K299 A372	V297-A301 PolarHBondContact O-N 2.84Å; I298-A301 WeakPolarHBondContact O-CB 3.43Å; I298-A301 PolarHBondContact O-N 2.86Å; K299-A301 PolarHBondContact O-N 3.23Å; K299-A301 VanDerWaalsContact O-N 3.09Å; A301-A372 HydrophobicContact CB-CB 4.47Å
302	F	92.3	Very high	92.8	Very high	179 Å²	179	44.5 Å²	44.5	79%	0.785	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.9	-37.3	-178	-52.1	-74.1	0	0	0	112.8	I298 K299 S300	I298-F302 HydrophobicContact CG2-CE2 4.23Å; I298-F302 VanDerWaalsContact O-CD2 3.29Å; I298-F302 WeakPolarHBondContact O-CD2 3.38Å; K299-F302 PolarHBondContact O-N 3.42Å; S300-F302 VanDerWaalsContact C-N 3.29Å
303	D	91.6	Very high	92.5	Very high	90 Å²	90	44.3 Å²	44.3	48%	0.481	24%	0.238	S	C	.	.	S	Bend	trans	-146.7	85.3	-173.2	-178.2	36.1	0	0	0	109.2	K299	K299-D303 IonicContact NZ-OD2 2.99Å; K299-D303 PolarHBondContact NZ-OD2 3.47Å; K299-D303 CarbonylContact O-C 3.57Å; K299-D303 PolarHBondContact O-N 3.31Å
304	P	90.6	Very high	92.3	Very high	43 Å²	43	45 Å²	45	28%	0.279	24%	0.242	S	C	.	.			trans	-64.8	140.4	-178.3	24.9	-32.3	0	0	0	111.9	I369	P304-I369 WeakPolarHBondContact CB-O 3.47Å
305	P	91	Very high	92.1	Very high	31 Å²	31	43.3 Å²	43.3	20%	0.201	24%	0.235	C	C	.	.			trans	-70.7	131.7	179.2	29.2	-34	0	0	0	111.1	F307 Q367 I369 T501	P305-F307 HydrophobicContact CB-CD2 4.03Å; P305-F307 HydrophobicContact CB-CE2 4.05Å; P305-F307 HydrophobicContact CG-CD2 4.44Å; P305-F307 PolarHBondContact O-N 3.41Å; P305-Q367 PolarHBondContact O-NE2 3.15Å; P305-I369 HydrophobicContact CG-CB 4.09Å; P305-I369 HydrophobicContact CG-CD1 3.89Å; P305-I369 HydrophobicContact CG-CG2 3.87Å; P305-T501 WeakPolarHBondContact CG-O 3.42Å
306	N	89.7	Confident	92	Very high	135 Å²	135	41.8 Å²	41.8	72%	0.722	22%	0.222	S	C	*	.			trans	-77.1	91.4	-176.8	-69.6	-24.8	0	0	0	112.9
307	F	91	Very high	91.9	Very high	46 Å²	46	41.6 Å²	41.6	20%	0.202	22%	0.221	C	C	.	.			trans	-120.3	89.2	170	-74	-81	0	0	0	109.5	P305 G368 I369 T501 P507	P305-F307 HydrophobicContact CB-CD2 4.03Å; P305-F307 HydrophobicContact CB-CE2 4.05Å; P305-F307 HydrophobicContact CG-CD2 4.44Å; P305-F307 PolarHBondContact O-N 3.41Å; F307-G368 WeakPolarHBondContact O-CA 3.34Å; F307-G368 PolarHBondContact O-N 3.32Å; F307-I369 HydrophobicContact CD2-CD1 4.23Å; F307-T501 HydrophobicContact CD1-CG2 3.94Å; F307-T501 HydrophobicContact CD2-CG2 4.2Å; F307-T501 HydrophobicContact CE1-CG2 3.86Å; F307-T501 HydrophobicContact CE2-CG2 4.11Å; F307-T501 WeakPolarHBondContact CE2-O 3.47Å; F307-T501 HydrophobicContact CG-CG2 4.12Å; F307-T501 HydrophobicContact CZ-CG2 3.95Å; F307-P507 HydrophobicContact CZ-CG 3.94Å
308	P	92	Very high	91.7	Very high	56 Å²	56	41.4 Å²	41.4	36%	0.364	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	144.4	179.8	29.8	-33.7	0	0	0	111.5	E365 I366	P308-E365 HydrophobicContact CB-CG 3.64Å; P308-I366 CarbonylContact C-O 3.6Å; P308-I366 WeakPolarHBondContact CA-O 3.26Å
309	I	92.5	Very high	91.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	147.6	174.8	63.8	173	0	0	0	110.2	E365 I366 E481 V483 V484 A492 V493	I309-E365 WeakPolarHBondContact O-CA 3.29Å; I309-I366 HydrophobicContact CD1-CD1 3.59Å; I309-I366 HydrophobicContact CD1-CG1 3.8Å; I309-I366 HydrophobicContact CG1-CD1 3.79Å; I309-I366 HydrophobicContact CG1-CG1 3.37Å; I309-I366 PolarHBondContact N-O 2.97Å; I309-I366 PolarHBondContact O-N 2.79Å; I309-E481 HydrophobicContact CD1-CG 4.3Å; I309-V483 HydrophobicContact CD1-CG2 3.32Å; I309-V484 HydrophobicContact CD1-CG2 3.83Å; I309-V484 HydrophobicContact CG2-CG2 3.88Å; I309-A492 HydrophobicContact CG2-CB 4.31Å; I309-A492 WeakPolarHBondContact CG2-O 3.03Å; I309-V493 HydrophobicContact CG2-CG1 3.8Å
310	C	93.8	Very high	90.6	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.007	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	125.8	-175.4	-162	0	0	0	0	111	L317 F322 C325	C310-L317 HydrophobicContact CB-CB 4.3Å; C310-L317 HydrophobicContact CB-CD1 4.41Å; C310-L317 WeakPolarHBondContact O-CB 3.25Å; C310-L317 PolarHBondContact O-N 2.97Å; C310-F322 HydrophobicContact CB-CE2 3.95Å; C310-F322 HydrophobicContact CB-CZ 3.88Å; C310-C325 WeakPolarHBondContact CA-SG 3.49Å; C310-C325 HydrophobicContact CB-CB 3.78Å; C310-C325 WeakPolarHBondContact CB-SG 3.43Å; C310-C325 VanDerWaalsContact SG-CA 3.57Å; C310-C325 WeakPolarHBondContact SG-CB 3.24Å; C310-C325 CovalentContact SG-SG 2.03Å; C310-C325 PolarHBondContact SG-SG 3.22Å
311	L	92.2	Very high	89.9	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	134.3	176.5	-62.2	-175.1	0	0	0	110.3	R315 T316 V363 T364 I366 R394 M397	L311-R315 CarbonylContact C-O 3.58Å; L311-R315 WeakPolarHBondContact CA-O 3.42Å; L311-T316 HydrophobicContact CD2-CG2 4.12Å; L311-V363 CarbonylContact O-C 3.47Å; L311-V363 WeakPolarHBondContact O-CA 3.44Å; L311-T364 PolarHBondContact N-O 3.29Å; L311-T364 PolarHBondContact O-N 3.48Å; L311-I366 HydrophobicContact CD1-CD1 3.4Å; L311-I366 HydrophobicContact CD1-CG1 4Å; L311-I366 HydrophobicContact CG-CD1 3.97Å; L311-I366 HydrophobicContact CG-CG1 4.18Å; L311-R394 HydrophobicContact CD1-CB 4.13Å; L311-M397 HydrophobicContact CB-CE 4.34Å; L311-M397 HydrophobicContact CD1-CE 3.61Å; L311-M397 HydrophobicContact CD1-CG 4.41Å
312	L	91.2	Very high	89.6	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	104.7	164.8	-179.8	66.2	0	0	0	107.7	N314 R315 L317 F344 Y357 F358 V363 Y414	L312-N314 PolarHBondContact O-N 3.04Å; L312-N314 VanDerWaalsContact O-N 3.1Å; L312-R315 PolarHBondContact N-O 3.3Å; L312-R315 PolarHBondContact O-N 3.46Å; L312-L317 HydrophobicContact CB-CD1 3.98Å; L312-L317 HydrophobicContact CB-CD2 4.17Å; L312-L317 HydrophobicContact CB-CG 4.1Å; L312-F344 HydrophobicContact CD2-CE1 4.12Å; L312-F344 HydrophobicContact CD2-CZ 4.09Å; L312-Y357 HydrophobicContact CD2-CD1 3.8Å; L312-Y357 HydrophobicContact CD2-CE1 4.09Å; L312-Y357 HydrophobicContact CG-CD1 4.01Å; L312-Y357 HydrophobicContact CG-CE1 3.86Å; L312-Y357 WeakPolarHBondContact O-CE1 3.46Å; L312-Y357 PolarHBondContact O-OH 2.74Å; L312-F358 HydrophobicContact CD1-CD2 3.7Å; L312-F358 HydrophobicContact CD1-CE2 4.25Å; L312-F358 HydrophobicContact CD2-CB 4.28Å; L312-F358 HydrophobicContact CD2-CD2 3.84Å; L312-F358 HydrophobicContact CG-CD2 4.44Å; L312-V363 HydrophobicContact CD1-CG2 3.58Å; L312-Y414 HydrophobicContact CD2-CE1 4.15Å
313	G	89.9	Confident	89.1	Confident	4 Å²	4	36.7 Å²	36.7	4%	0.041	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	-113.5	-169.2	0	0	0	0	0	111.3	N362 M397	G313-N362 PolarHBondContact N-O 2.94Å; G313-M397 VanDerWaalsContact O-CE 3.25Å; G313-M397 WeakPolarHBondContact O-CE 3.46Å
314	N	90.7	Very high	88.9	Confident	21 Å²	21	36 Å²	36	11%	0.112	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-7.2	175.3	71.3	-26.4	0	0	0	113.6	L312 Y357 E393 R394 M397 S399	L312-N314 PolarHBondContact O-N 3.04Å; L312-N314 VanDerWaalsContact O-N 3.1Å; N314-Y357 PolarHBondContact N-OH 2.92Å; N314-Y357 PolarHBondContact OD1-OH 3.43Å; N314-E393 PolarHBondContact ND2-OE2 3.3Å; N314-E393 CarbonylContact O-C 3.59Å; N314-E393 WeakPolarHBondContact O-CA 3.4Å; N314-E393 WeakPolarHBondContact O-CB 3.28Å; N314-R394 PolarHBondContact O-N 3.49Å; N314-M397 HydrophobicContact CB-CB 4.18Å; N314-S399 PolarHBondContact ND2-OG 3.44Å; N314-S399 PolarHBondContact OD1-OG 3.28Å
315	R	91.1	Very high	88.9	Confident	25 Å²	25	34.6 Å²	34.6	9%	0.094	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	135	-174.6	-64.8	177.4	178.9	176.7	-1.3	111.7	L311 L312 Y357 I391 E393 Y414	L311-R315 CarbonylContact C-O 3.58Å; L311-R315 WeakPolarHBondContact CA-O 3.42Å; L312-R315 PolarHBondContact N-O 3.3Å; L312-R315 PolarHBondContact O-N 3.46Å; R315-Y357 HydrophobicContact CB-CE1 4.44Å; R315-Y357 HydrophobicContact CG-CE1 4.06Å; R315-I391 HydrophobicContact CB-CG2 3.97Å; R315-I391 HydrophobicContact CG-CG2 3.98Å; R315-E393 HydrophobicContact CG-CG 4.19Å; R315-E393 IonicContact NE-OE1 3.37Å; R315-Y414 HydrophobicContact CB-CD1 3.94Å; R315-Y414 HydrophobicContact CB-CE1 3.79Å; R315-Y414 HydrophobicContact CG-CE1 4.38Å
316	T	92.2	Very high	89	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	129.1	178.4	-47.7	0	0	0	0	110.8	L311 V392 Y414 V415 V483 A492	L311-T316 HydrophobicContact CD2-CG2 4.12Å; T316-V392 VanDerWaalsContact CB-O 3.28Å; T316-V392 WeakPolarHBondContact CB-O 3.17Å; T316-V392 PolarHBondContact N-O 2.89Å; T316-V392 VanDerWaalsContact N-O 3.13Å; T316-V392 PolarHBondContact OG1-O 3.14Å; T316-Y414 WeakPolarHBondContact O-CA 3.46Å; T316-V415 HydrophobicContact CG2-CB 4.47Å; T316-V415 HydrophobicContact CG2-CG2 4.03Å; T316-V415 PolarHBondContact O-N 2.92Å; T316-V483 WeakPolarHBondContact OG1-CG1 3.29Å; T316-A492 HydrophobicContact CG2-CB 3.8Å
317	L	91.9	Very high	89	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.005	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-95.1	138.7	176.3	-63.9	172.8	0	0	0	110.7	C310 L312 F322 L340 F344 P413 Y414	C310-L317 HydrophobicContact CB-CB 4.3Å; C310-L317 HydrophobicContact CB-CD1 4.41Å; C310-L317 WeakPolarHBondContact O-CB 3.25Å; C310-L317 PolarHBondContact O-N 2.97Å; L312-L317 HydrophobicContact CB-CD1 3.98Å; L312-L317 HydrophobicContact CB-CD2 4.17Å; L312-L317 HydrophobicContact CB-CG 4.1Å; L317-F322 HydrophobicContact CB-CE1 4.2Å; L317-F322 HydrophobicContact CB-CZ 3.97Å; L317-F322 HydrophobicContact CD1-CZ 4.31Å; L317-L340 HydrophobicContact CD1-CD1 3.93Å; L317-L340 HydrophobicContact CD1-CD2 4.12Å; L317-F344 HydrophobicContact CD2-CE2 4Å; L317-F344 HydrophobicContact CD2-CZ 3.69Å; L317-P413 CarbonylContact C-O 3.54Å; L317-P413 VanDerWaalsContact CA-O 3.28Å; L317-P413 WeakPolarHBondContact CA-O 3.15Å; L317-P413 HydrophobicContact CD2-CG 4.44Å; L317-P413 WeakPolarHBondContact CD2-O 3.33Å; L317-Y414 HydrophobicContact CD2-CD1 3.77Å; L317-Y414 HydrophobicContact CD2-CE1 3.82Å
318	S	89.6	Confident	88.9	Confident	8 Å²	8	31.4 Å²	31.4	6%	0.056	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-69.5	130.4	169.4	-178.7	0	0	0	0	109	H320 F322 P413 E491	S318-H320 PolarHBondContact O-N 3.15Å; S318-H320 VanDerWaalsContact O-N 3.15Å; S318-H320 PolarHBondContact OG-CD2 3.41Å; S318-F322 WeakPolarHBondContact O-CE1 3.11Å; S318-P413 PolarHBondContact N-O 2.93Å; S318-E491 PolarHBondContact OG-OE2 3.49Å
319	R	86.4	Confident	88.7	Confident	41 Å²	41	30 Å²	30	16%	0.155	18%	0.175	C	C	.	.	S	Bend	trans	-72.5	-5.6	-177.9	-160.9	65.5	178.8	-145	3.3	112.5	G321 D323 E365 E491 N494	R319-G321 PolarHBondContact O-N 3.16Å; R319-D323 PolarHBondContact NH2-O 3.03Å; R319-E365 IonicContact CZ-OE1 2.86Å; R319-E365 IonicContact NH1-OE1 3.44Å; R319-E365 PolarHBondContact NH1-OE1 3.42Å; R319-E365 IonicContact NH2-OE1 3.88Å; R319-E365 PolarHBondContact NH2-OE1 3.49Å; R319-E491 PolarHBondContact N-O 3.41Å; R319-N494 HydrophobicContact CB-CB 4.13Å; R319-N494 HydrophobicContact CG-CB 4.07Å
320	H	79.1	Confident	88.3	Confident	105 Å²	105	39.2 Å²	39.2	49%	0.486	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	128.4	175.5	-69	-68.2	0	0	0	111.3	S318	S318-H320 PolarHBondContact O-N 3.15Å; S318-H320 VanDerWaalsContact O-N 3.15Å; S318-H320 PolarHBondContact OG-CD2 3.41Å
321	G	77.6	Confident	87.9	Confident	55 Å²	55	45.6 Å²	45.6	57%	0.567	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.4	-10.1	174.3	0	0	0	0	0	116.1	R319	R319-G321 PolarHBondContact O-N 3.16Å
322	F	85.9	Confident	87.2	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.009	28%	0.28	C	S	.	.			trans	-142.5	141.1	174.5	67.7	-91.5	0	0	0	113.7	C310 L317 S318 C325 R339 L340 L343	C310-F322 HydrophobicContact CB-CE2 3.95Å; C310-F322 HydrophobicContact CB-CZ 3.88Å; L317-F322 HydrophobicContact CB-CE1 4.2Å; L317-F322 HydrophobicContact CB-CZ 3.97Å; L317-F322 HydrophobicContact CD1-CZ 4.31Å; S318-F322 WeakPolarHBondContact O-CE1 3.11Å; F322-C325 HydrophobicContact CE2-CB 4.5Å; F322-R339 HydrophobicContact CB-CB 4.1Å; F322-L340 HydrophobicContact CB-CB 4.19Å; F322-L340 HydrophobicContact CD1-CD1 3.72Å; F322-L340 HydrophobicContact CD2-CB 4.47Å; F322-L340 HydrophobicContact CD2-CD1 4.45Å; F322-L340 HydrophobicContact CE1-CD1 3.77Å; F322-L340 HydrophobicContact CG-CB 4.21Å; F322-L340 HydrophobicContact CG-CD1 4.07Å; F322-L340 HydrophobicContact CZ-CD1 4.22Å; F322-L343 HydrophobicContact CD1-CD1 4.04Å
323	D	81.2	Confident	87	Confident	106 Å²	106	57 Å²	57	57%	0.567	32%	0.321	S	S	*	.	S	Bend	trans	-93	-33.4	-177.4	-55.9	-38.6	0	0	0	111.9	R319 R339	R319-D323 PolarHBondContact NH2-O 3.03Å; D323-R339 IonicContact OD1-NH1 2.81Å; D323-R339 IonicContact OD2-CZ 3.62Å; D323-R339 IonicContact OD2-NH1 2.65Å; D323-R339 PolarHBondContact OD2-NH1 2.6Å; D323-R339 IonicContact OD2-NH2 3.48Å
324	V	88.3	Confident	86.7	Confident	74 Å²	74	63.7 Å²	63.7	45%	0.448	35%	0.351	S	S	.	.			trans	-110.9	121.4	-173.6	-176.7	0	0	0	0	110.4	A326 T338	V324-A326 HydrophobicContact CG1-CB 4Å; V324-A326 PolarHBondContact O-N 2.96Å; V324-T338 HydrophobicContact CB-CG2 4.38Å; V324-T338 HydrophobicContact CG1-CG2 4.32Å
325	C	90.7	Very high	86.5	Confident	15 Å²	15	65.5 Å²	65.5	10%	0.101	36%	0.363	C	S	.	.	S	Bend	trans	-80.4	61.2	175.2	-176.2	0	0	0	0	111.7	C310 F322 V363 E365	C310-C325 WeakPolarHBondContact CA-SG 3.49Å; C310-C325 HydrophobicContact CB-CB 3.78Å; C310-C325 WeakPolarHBondContact CB-SG 3.43Å; C310-C325 VanDerWaalsContact SG-CA 3.57Å; C310-C325 WeakPolarHBondContact SG-CB 3.24Å; C310-C325 CovalentContact SG-SG 2.03Å; C310-C325 PolarHBondContact SG-SG 3.22Å; F322-C325 HydrophobicContact CE2-CB 4.5Å; C325-V363 VanDerWaalsContact SG-CG1 3.54Å; C325-E365 HydrophobicContact CB-CB 4.27Å; C325-E365 HydrophobicContact CB-CG 4.3Å; C325-E365 WeakPolarHBondContact CB-OE1 3.35Å
326	A	91.4	Very high	86.3	Confident	31 Å²	31	66.8 Å²	66.8	26%	0.256	37%	0.373	S	S	.	.	S	Bend	trans	-149.7	156.6	174.6	0	0	0	0	0	109.2	V324 L328 T338	V324-A326 HydrophobicContact CG1-CB 4Å; V324-A326 PolarHBondContact O-N 2.96Å; A326-L328 WeakPolarHBondContact CB-O 3.37Å; A326-T338 WeakPolarHBondContact O-CB 3.5Å; A326-T338 WeakPolarHBondContact O-CG2 3.38Å; A326-T338 PolarHBondContact O-OG1 2.87Å
327	K	89.6	Confident	86.2	Confident	41 Å²	41	67.7 Å²	67.7	18%	0.178	38%	0.379	C	S	.	.	S	Bend	trans	-74.6	-33.9	174.3	-59.5	-171	-177.5	174.3	0	112.3	T338 W341 F358 N361 V363	K327-T338 PolarHBondContact O-N 3.42Å; K327-T338 PolarHBondContact O-OG1 3.42Å; K327-W341 HydrophobicContact CB-CE3 4.27Å; K327-F358 HydrophobicContact CB-CZ 4.21Å; K327-F358 HydrophobicContact CD-CE1 3.98Å; K327-F358 HydrophobicContact CD-CE2 4.29Å; K327-F358 HydrophobicContact CD-CZ 3.78Å; K327-F358 WeakPolarHBondContact CE-O 3.42Å; K327-F358 HydrophobicContact CG-CE1 4.28Å; K327-F358 HydrophobicContact CG-CE2 4.07Å; K327-F358 HydrophobicContact CG-CZ 3.6Å; K327-F358 PolarHBondContact NZ-O 3.14Å; K327-N361 VanDerWaalsContact CE-O 3.3Å; K327-N361 WeakPolarHBondContact CE-O 3.43Å; K327-N361 PolarHBondContact NZ-O 3.13Å; K327-V363 HydrophobicContact CD-CG2 4.36Å; K327-V363 HydrophobicContact CG-CB 4.29Å; K327-V363 HydrophobicContact CG-CG2 3.65Å
328	L	89.3	Confident	86.1	Confident	72 Å²	72	68.2 Å²	68.2	38%	0.377	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	143.3	-176.4	-59.7	171.3	0	0	0	108.9	A326 V336 T337 L350	A326-L328 WeakPolarHBondContact CB-O 3.37Å; L328-V336 CarbonylContact C-O 3.54Å; L328-V336 WeakPolarHBondContact CA-O 3.45Å; L328-T337 HydrophobicContact CD2-CG2 3.97Å; L328-L350 HydrophobicContact CD2-CD2 3.96Å
329	A	87.4	Confident	86.1	Confident	26 Å²	26	75.4 Å²	75.4	22%	0.215	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	152.1	172.4	0	0	0	0	0	109.9	V336 T338	A329-V336 PolarHBondContact N-O 2.98Å; A329-V336 PolarHBondContact O-N 3.47Å; A329-T338 HydrophobicContact CB-CG2 3.81Å
330	W	85.9	Confident	86.2	Confident	195 Å²	195	73.4 Å²	73.4	74%	0.739	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	113.5	174.8	-72.2	92.4	0	0	0	109.1	T335	W330-T335 HydrophobicContact CD2-CG2 3.99Å; W330-T335 HydrophobicContact CE3-CG2 3.89Å; W330-T335 HydrophobicContact CH2-CG2 3.49Å; W330-T335 VanDerWaalsContact CH2-CG2 3.49Å; W330-T335 HydrophobicContact CZ2-CG2 3.56Å; W330-T335 HydrophobicContact CZ3-CG2 3.66Å
331	E	84.4	Confident	86.8	Confident	135 Å²	135	69.8 Å²	69.8	63%	0.631	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.6	119	172	-75.1	-175.9	176.1	0	0	108.2	N333 E334 V336	E331-N333 PolarHBondContact O-N 3.17Å; E331-E334 PolarHBondContact N-O 3.33Å; E331-E334 PolarHBondContact O-N 3.23Å; E331-V336 HydrophobicContact CB-CG2 4.16Å
332	G	77.9	Confident	87.2	Confident	82 Å²	82	69.1 Å²	69.1	85%	0.845	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	42.3	171.6	0	0	0	0	0	116	E334	G332-E334 PolarHBondContact O-N 3.28Å
333	N	85.7	Confident	87.3	Confident	158 Å²	158	72.5 Å²	72.5	85%	0.845	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	4.4	-173.7	-70	-12.5	0	0	0	116.2	E331	E331-N333 PolarHBondContact O-N 3.17Å
334	E	85.2	Confident	87.6	Confident	143 Å²	143	67.9 Å²	67.9	67%	0.668	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	145.5	173.3	-64.6	-171.6	165.7	0	0	111.2	E331 G332 V336	E331-E334 PolarHBondContact N-O 3.33Å; E331-E334 PolarHBondContact O-N 3.23Å; G332-E334 PolarHBondContact O-N 3.28Å; E334-V336 HydrophobicContact CB-CG2 4.47Å; E334-V336 PolarHBondContact O-N 2.91Å
335	T	85.2	Confident	87.7	Confident	60 Å²	60	65 Å²	65	37%	0.368	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	109.5	171	53	0	0	0	0	109.1	W330	W330-T335 HydrophobicContact CD2-CG2 3.99Å; W330-T335 HydrophobicContact CE3-CG2 3.89Å; W330-T335 HydrophobicContact CH2-CG2 3.49Å; W330-T335 VanDerWaalsContact CH2-CG2 3.49Å; W330-T335 HydrophobicContact CZ2-CG2 3.56Å; W330-T335 HydrophobicContact CZ3-CG2 3.66Å
336	V	88.2	Confident	87.5	Confident	52 Å²	52	68.5 Å²	68.5	32%	0.315	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	145.3	-180	-173.1	0	0	0	0	109.3	L328 A329 E331 E334	L328-V336 CarbonylContact C-O 3.54Å; L328-V336 WeakPolarHBondContact CA-O 3.45Å; A329-V336 PolarHBondContact N-O 2.98Å; A329-V336 PolarHBondContact O-N 3.47Å; E331-V336 HydrophobicContact CB-CG2 4.16Å; E334-V336 HydrophobicContact CB-CG2 4.47Å; E334-V336 PolarHBondContact O-N 2.91Å
337	T	89.3	Confident	87.3	Confident	19 Å²	19	69.3 Å²	69.3	12%	0.117	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	139.3	174.4	52.9	0	0	0	0	110.8	L328 W341 R348 L350	L328-T337 HydrophobicContact CD2-CG2 3.97Å; T337-W341 HydrophobicContact CG2-CB 4.42Å; T337-W341 HydrophobicContact CG2-CD2 3.72Å; T337-W341 HydrophobicContact CG2-CE3 4.26Å; T337-W341 HydrophobicContact CG2-CG 3.77Å; T337-R348 WeakPolarHBondContact CB-O 3.4Å; T337-R348 WeakPolarHBondContact CG2-O 3.46Å; T337-R348 PolarHBondContact OG1-O 3.02Å; T337-L350 HydrophobicContact CG2-CG 4.29Å
338	T	90.4	Very high	87.1	Confident	13 Å²	13	76.9 Å²	76.9	8%	0.08	41%	0.407	C	S	.	.			trans	-80.5	171.9	179.5	62.3	0	0	0	0	111.8	V324 A326 K327 A329 L340 W341	V324-T338 HydrophobicContact CB-CG2 4.38Å; V324-T338 HydrophobicContact CG1-CG2 4.32Å; A326-T338 WeakPolarHBondContact O-CB 3.5Å; A326-T338 WeakPolarHBondContact O-CG2 3.38Å; A326-T338 PolarHBondContact O-OG1 2.87Å; K327-T338 PolarHBondContact O-N 3.42Å; K327-T338 PolarHBondContact O-OG1 3.42Å; A329-T338 HydrophobicContact CB-CG2 3.81Å; T338-L340 PolarHBondContact O-N 3.01Å; T338-L340 PolarHBondContact OG1-N 2.9Å; T338-W341 VanDerWaalsContact O-CB 3.25Å; T338-W341 WeakPolarHBondContact O-CB 3.04Å; T338-W341 PolarHBondContact O-N 2.65Å; T338-W341 VanDerWaalsContact O-N 3.12Å; T338-W341 PolarHBondContact OG1-N 2.98Å
339	R	88.3	Confident	86.8	Confident	158 Å²	158	79.2 Å²	79.2	60%	0.596	42%	0.419	S	S	*	.	H	α-helix	trans	-59.3	-33.2	170.3	-68.9	-170.3	-175	154.7	9.1	112.6	F322 D323 W341 G342 L343	F322-R339 HydrophobicContact CB-CB 4.1Å; D323-R339 IonicContact OD1-NH1 2.81Å; D323-R339 IonicContact OD2-CZ 3.62Å; D323-R339 IonicContact OD2-NH1 2.65Å; D323-R339 PolarHBondContact OD2-NH1 2.6Å; D323-R339 IonicContact OD2-NH2 3.48Å; R339-W341 VanDerWaalsContact C-N 3.26Å; R339-W341 PolarHBondContact O-N 3.09Å; R339-G342 PolarHBondContact O-N 3.17Å; R339-G342 VanDerWaalsContact O-N 3.08Å; R339-L343 PolarHBondContact O-N 3.4Å
340	L	90.1	Very high	86.6	Confident	0 Å²	0	82.4 Å²	82.4	0%	0	43%	0.432	C	S	.	.	H	α-helix	trans	-60.1	-37.7	176	-176.2	64.3	0	0	0	111.5	L317 F322 T338 G342 L343 F344 F358 V363	L317-L340 HydrophobicContact CD1-CD1 3.93Å; L317-L340 HydrophobicContact CD1-CD2 4.12Å; F322-L340 HydrophobicContact CB-CB 4.19Å; F322-L340 HydrophobicContact CD1-CD1 3.72Å; F322-L340 HydrophobicContact CD2-CB 4.47Å; F322-L340 HydrophobicContact CD2-CD1 4.45Å; F322-L340 HydrophobicContact CE1-CD1 3.77Å; F322-L340 HydrophobicContact CG-CB 4.21Å; F322-L340 HydrophobicContact CG-CD1 4.07Å; F322-L340 HydrophobicContact CZ-CD1 4.22Å; T338-L340 PolarHBondContact O-N 3.01Å; T338-L340 PolarHBondContact OG1-N 2.9Å; L340-G342 VanDerWaalsContact C-N 3.3Å; L340-G342 PolarHBondContact O-N 3.16Å; L340-L343 HydrophobicContact CD1-CD1 4.49Å; L340-L343 PolarHBondContact O-N 2.73Å; L340-F344 HydrophobicContact CD1-CD2 4.12Å; L340-F344 HydrophobicContact CD1-CE2 3.77Å; L340-F358 HydrophobicContact CG-CE2 4.29Å; L340-V363 HydrophobicContact CD2-CG1 3.96Å; L340-V363 HydrophobicContact CD2-CG2 3.91Å
341	W	90.5	Very high	86.5	Confident	29 Å²	29	80.8 Å²	80.8	11%	0.11	44%	0.438	C	S	.	.	H	α-helix	trans	-58	-43.5	173.8	-175.5	-81	0	0	0	111.9	K327 T337 T338 R339 L343 F344 C345 S347 L349 F358	K327-W341 HydrophobicContact CB-CE3 4.27Å; T337-W341 HydrophobicContact CG2-CB 4.42Å; T337-W341 HydrophobicContact CG2-CD2 3.72Å; T337-W341 HydrophobicContact CG2-CE3 4.26Å; T337-W341 HydrophobicContact CG2-CG 3.77Å; T338-W341 VanDerWaalsContact O-CB 3.25Å; T338-W341 WeakPolarHBondContact O-CB 3.04Å; T338-W341 PolarHBondContact O-N 2.65Å; T338-W341 VanDerWaalsContact O-N 3.12Å; T338-W341 PolarHBondContact OG1-N 2.98Å; R339-W341 VanDerWaalsContact C-N 3.26Å; R339-W341 PolarHBondContact O-N 3.09Å; W341-L343 PolarHBondContact O-N 3.25Å; W341-F344 PolarHBondContact O-N 2.84Å; W341-C345 HydrophobicContact CG-CB 4.34Å; W341-C345 VanDerWaalsContact O-CB 3.24Å; W341-C345 WeakPolarHBondContact O-CB 3.33Å; W341-C345 PolarHBondContact O-N 3.39Å; W341-C345 PolarHBondContact O-SG 3.15Å; W341-S347 VanDerWaalsContact CD1-O 3.24Å; W341-S347 PolarHBondContact NE1-O 2.85Å; W341-L349 PolarHBondContact NE1-O 3.32Å; W341-F358 HydrophobicContact CD2-CE1 4.45Å; W341-F358 AromaticContact CE3-CE1 3.92Å; W341-F358 HydrophobicContact CE3-CE1 3.92Å; W341-F358 HydrophobicContact CE3-CZ 4.35Å; W341-F358 HydrophobicContact CZ3-CE1 4.26Å
342	G	87.2	Confident	86.5	Confident	41 Å²	41	75.2 Å²	75.2	42%	0.423	42%	0.415	S	S	.	.	H	α-helix	trans	-66.3	-16	179.5	0	0	0	0	0	114.8	R339 L340	R339-G342 PolarHBondContact O-N 3.17Å; R339-G342 VanDerWaalsContact O-N 3.08Å; L340-G342 VanDerWaalsContact C-N 3.3Å; L340-G342 PolarHBondContact O-N 3.16Å
343	L	86.9	Confident	86.9	Confident	72 Å²	72	76.6 Å²	76.6	38%	0.377	41%	0.407	S	S	.	.	H	α-helix	trans	-85.3	-22.5	176.5	-63.1	173	0	0	0	112.8	F322 R339 L340 W341 P413	F322-L343 HydrophobicContact CD1-CD1 4.04Å; R339-L343 PolarHBondContact O-N 3.4Å; L340-L343 HydrophobicContact CD1-CD1 4.49Å; L340-L343 PolarHBondContact O-N 2.73Å; W341-L343 PolarHBondContact O-N 3.25Å; L343-P413 HydrophobicContact CB-CG 4.14Å; L343-P413 HydrophobicContact CD1-CB 4.23Å; L343-P413 HydrophobicContact CD1-CG 3.85Å
344	F	88.7	Confident	87	Confident	10 Å²	10	70.6 Å²	70.6	4%	0.044	38%	0.377	C	S	.	.	H	α-helix	trans	-115.9	-7.1	-177.6	-71.6	-82.9	0	0	0	113.8	L312 L317 L340 W341 C354 D355 F358 H412 P413 Y414	L312-F344 HydrophobicContact CD2-CE1 4.12Å; L312-F344 HydrophobicContact CD2-CZ 4.09Å; L317-F344 HydrophobicContact CD2-CE2 4Å; L317-F344 HydrophobicContact CD2-CZ 3.69Å; L340-F344 HydrophobicContact CD1-CD2 4.12Å; L340-F344 HydrophobicContact CD1-CE2 3.77Å; W341-F344 PolarHBondContact O-N 2.84Å; F344-C354 CarbonylContact O-C 3.14Å; F344-C354 WeakPolarHBondContact O-CA 3.27Å; F344-D355 HydrophobicContact CB-CB 4.49Å; F344-D355 HydrophobicContact CD1-CB 4.17Å; F344-D355 PolarHBondContact O-N 3.14Å; F344-F358 HydrophobicContact CB-CB 3.92Å; F344-F358 HydrophobicContact CB-CD1 3.9Å; F344-F358 HydrophobicContact CB-CD2 3.75Å; F344-F358 HydrophobicContact CB-CE1 4.31Å; F344-F358 HydrophobicContact CB-CE2 4.19Å; F344-F358 HydrophobicContact CB-CG 3.59Å; F344-F358 HydrophobicContact CB-CZ 4.44Å; F344-F358 HydrophobicContact CD1-CB 4.07Å; F344-F358 HydrophobicContact CD1-CD2 4.19Å; F344-F358 HydrophobicContact CD1-CG 4.35Å; F344-F358 AromaticContact CD2-CD2 3.65Å; F344-F358 HydrophobicContact CD2-CD2 3.65Å; F344-F358 AromaticContact CD2-CE2 3.81Å; F344-F358 HydrophobicContact CD2-CE2 3.81Å; F344-F358 HydrophobicContact CD2-CG 4.37Å; F344-F358 HydrophobicContact CE2-CD2 4.3Å; F344-F358 HydrophobicContact CG-CB 4.07Å; F344-F358 AromaticContact CG-CD2 3.59Å; F344-F358 HydrophobicContact CG-CD2 3.59Å; F344-F358 HydrophobicContact CG-CE2 4.13Å; F344-F358 AromaticContact CG-CG 3.86Å; F344-F358 HydrophobicContact CG-CG 3.86Å; F344-H412 AromaticContact CD1-CD2 3.26Å; F344-H412 WeakPolarHBondContact CD1-CD2 3.45Å; F344-H412 AromaticContact CD1-NE2 3.79Å; F344-H412 HydrophobicContact CE1-CB 4.09Å; F344-H412 AromaticContact CE1-CD2 3.25Å; F344-H412 WeakPolarHBondContact CE1-CD2 3.24Å; F344-H412 AromaticContact CE1-CG 3.89Å; F344-H412 HydrophobicContact CZ-CB 4.48Å; F344-P413 HydrophobicContact CE2-CG 3.63Å; F344-P413 HydrophobicContact CZ-CG 3.75Å; F344-Y414 HydrophobicContact CE1-CE1 4.33Å; F344-Y414 HydrophobicContact CE1-CE2 4.08Å; F344-Y414 AromaticContact CE1-CZ 3.7Å; F344-Y414 WeakPolarHBondContact CE1-OH 3.38Å; F344-Y414 HydrophobicContact CZ-CE1 4.2Å
345	C	89.5	Confident	87	Confident	13 Å²	13	65.9 Å²	65.9	9%	0.088	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-129.2	148.4	-176.1	-54.5	0	0	0	0	111.5	W341 S347 A352 T353 C354	W341-C345 HydrophobicContact CG-CB 4.34Å; W341-C345 VanDerWaalsContact O-CB 3.24Å; W341-C345 WeakPolarHBondContact O-CB 3.33Å; W341-C345 PolarHBondContact O-N 3.39Å; W341-C345 PolarHBondContact O-SG 3.15Å; C345-S347 PolarHBondContact O-N 3.45Å; C345-A352 HydrophobicContact CB-CB 4.09Å; C345-T353 WeakPolarHBondContact CA-O 3.08Å; C345-C354 HydrophobicContact CB-CB 4.02Å; C345-C354 WeakPolarHBondContact CB-SG 3.13Å; C345-C354 WeakPolarHBondContact SG-CB 3.48Å; C345-C354 CovalentContact SG-SG 2.03Å; C345-C354 PolarHBondContact SG-SG 3.48Å
346	S	86.9	Confident	87	Confident	89 Å²	89	67 Å²	67	62%	0.622	36%	0.358	S	S	*	.	S	Bend	trans	-66.4	-19.6	-176.9	55.8	0	0	0	0	115	T353	S346-T353 PolarHBondContact N-O 3.24Å; S346-T353 PolarHBondContact OG-N 2.94Å; S346-T353 PolarHBondContact OG-O 3.34Å; S346-T353 PolarHBondContact OG-OG1 3.49Å
347	S	86.5	Confident	87	Confident	47 Å²	47	64.6 Å²	64.6	33%	0.329	34%	0.343	S	S	.	.	S	Bend	trans	-152	159.2	-177.9	177	0	0	0	0	111.4	W341 C345 L349 A352	W341-S347 VanDerWaalsContact CD1-O 3.24Å; W341-S347 PolarHBondContact NE1-O 2.85Å; C345-S347 PolarHBondContact O-N 3.45Å; S347-L349 PolarHBondContact O-N 3.42Å; S347-L349 PolarHBondContact OG-N 3.07Å; S347-A352 VanDerWaalsContact O-CB 3.28Å; S347-A352 WeakPolarHBondContact O-CB 3.07Å
348	R	85.2	Confident	87	Confident	200 Å²	200	63.8 Å²	63.8	76%	0.755	34%	0.338	S	S	*	.	S	Bend	trans	-72	-8.2	173.3	-64.5	-173	-175.8	-179.6	2	113.4	T337	T337-R348 WeakPolarHBondContact CB-O 3.4Å; T337-R348 WeakPolarHBondContact CG2-O 3.46Å; T337-R348 PolarHBondContact OG1-O 3.02Å
349	L	84.3	Confident	86.9	Confident	122 Å²	122	67.1 Å²	67.1	64%	0.639	36%	0.359	S	S	*	.	S	Bend	trans	-71.6	144.2	176.3	-64.7	166.1	0	0	0	110.2	W341 S347 N351 A352	W341-L349 PolarHBondContact NE1-O 3.32Å; S347-L349 PolarHBondContact O-N 3.42Å; S347-L349 PolarHBondContact OG-N 3.07Å; L349-N351 PolarHBondContact O-N 3.06Å; L349-N351 VanDerWaalsContact O-N 3.14Å; L349-A352 VanDerWaalsContact O-CB 3.25Å; L349-A352 WeakPolarHBondContact O-CB 3.23Å; L349-A352 PolarHBondContact O-N 3.05Å; L349-A352 VanDerWaalsContact O-N 3.11Å
350	L	82.5	Confident	86.9	Confident	93 Å²	93	65.1 Å²	65.1	49%	0.487	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-21.6	176.8	-71.9	121.6	0	0	0	113.3	L328 T337 A352	L328-L350 HydrophobicContact CD2-CD2 3.96Å; T337-L350 HydrophobicContact CG2-CG 4.29Å; L350-A352 VanDerWaalsContact C-N 3.33Å
351	N	83.9	Confident	87	Confident	160 Å²	160	65.4 Å²	65.4	86%	0.856	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	12.3	179.6	-61.5	2.2	0	0	0	113.1	L349	L349-N351 PolarHBondContact O-N 3.06Å; L349-N351 VanDerWaalsContact O-N 3.14Å
352	A	84.3	Confident	87	Confident	19 Å²	19	70 Å²	70	16%	0.157	38%	0.379	C	S	.	.			trans	-67	152.6	-179.4	0	0	0	0	0	112.5	C345 S347 L349 L350 C354	C345-A352 HydrophobicContact CB-CB 4.09Å; S347-A352 VanDerWaalsContact O-CB 3.28Å; S347-A352 WeakPolarHBondContact O-CB 3.07Å; L349-A352 VanDerWaalsContact O-CB 3.25Å; L349-A352 WeakPolarHBondContact O-CB 3.23Å; L349-A352 PolarHBondContact O-N 3.05Å; L349-A352 VanDerWaalsContact O-N 3.11Å; L350-A352 VanDerWaalsContact C-N 3.33Å; A352-C354 PolarHBondContact O-N 3.44Å
353	T	87.2	Confident	87.2	Confident	110 Å²	110	69.2 Å²	69.2	68%	0.675	37%	0.366	S	S	*	.			trans	-73.9	122.6	166.8	51.6	0	0	0	0	108.9	C345 S346	C345-T353 WeakPolarHBondContact CA-O 3.08Å; S346-T353 PolarHBondContact N-O 3.24Å; S346-T353 PolarHBondContact OG-N 2.94Å; S346-T353 PolarHBondContact OG-O 3.34Å; S346-T353 PolarHBondContact OG-OG1 3.49Å
354	C	86.3	Confident	87.5	Confident	33 Å²	33	68.2 Å²	68.2	22%	0.223	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-118.4	159.7	-177.2	-62.9	0	0	0	0	110.9	F344 C345 A352 F358 T359	F344-C354 CarbonylContact O-C 3.14Å; F344-C354 WeakPolarHBondContact O-CA 3.27Å; C345-C354 HydrophobicContact CB-CB 4.02Å; C345-C354 WeakPolarHBondContact CB-SG 3.13Å; C345-C354 WeakPolarHBondContact SG-CB 3.48Å; C345-C354 CovalentContact SG-SG 2.03Å; C345-C354 PolarHBondContact SG-SG 3.48Å; A352-C354 PolarHBondContact O-N 3.44Å; C354-F358 HydrophobicContact CB-CD1 4.29Å; C354-T359 HydrophobicContact CB-CG2 3.64Å
355	D	85.7	Confident	87.6	Confident	44 Å²	44	72.5 Å²	72.5	24%	0.235	38%	0.383	C	S	.	.			trans	-54.4	141.1	170.4	176.7	65.8	0	0	0	111.9	F344 Y357 F358 T359	F344-D355 HydrophobicContact CB-CB 4.49Å; F344-D355 HydrophobicContact CD1-CB 4.17Å; F344-D355 PolarHBondContact O-N 3.14Å; D355-Y357 PolarHBondContact O-N 3.4Å; D355-Y357 WeakPolarHBondContact OD2-CA 2.92Å; D355-Y357 VanDerWaalsContact OD2-CB 3.3Å; D355-Y357 WeakPolarHBondContact OD2-CB 3.21Å; D355-Y357 PolarHBondContact OD2-N 2.77Å; D355-F358 HydrophobicContact CB-CB 3.99Å; D355-F358 PolarHBondContact O-N 3.14Å; D355-F358 PolarHBondContact OD2-N 3.46Å; D355-T359 WeakPolarHBondContact O-CG2 3.45Å; D355-T359 PolarHBondContact O-N 2.97Å; D355-T359 PolarHBondContact O-OG1 3.04Å
356	E	86.1	Confident	87.7	Confident	83 Å²	83	73.5 Å²	73.5	39%	0.388	39%	0.387	S	S	.	.	H	α-helix	trans	-69.4	-35.6	-173.7	178.2	173.6	-145.5	0	0	111.8	T359 R360 L402	E356-T359 PolarHBondContact O-OG1 3.21Å; E356-R360 WeakPolarHBondContact O-CB 3.37Å; E356-R360 WeakPolarHBondContact O-CD 3.42Å; E356-R360 WeakPolarHBondContact O-CG 3.39Å; E356-R360 PolarHBondContact O-N 3.43Å; E356-R360 IonicContact OE1-CZ 3.13Å; E356-R360 IonicContact OE1-NE 3.14Å; E356-R360 PolarHBondContact OE1-NE 3.31Å; E356-R360 IonicContact OE1-NH2 2.59Å; E356-R360 PolarHBondContact OE1-NH2 3.01Å; E356-L402 HydrophobicContact CB-CD2 3.66Å; E356-L402 HydrophobicContact CG-CD2 3.66Å; E356-L402 VanDerWaalsContact OE2-CD2 3.28Å; E356-L402 WeakPolarHBondContact OE2-CD2 3.29Å
357	Y	87.8	Confident	88	Confident	2 Å²	2	71.9 Å²	71.9	1%	0.008	37%	0.37	C	S	.	.	H	α-helix	trans	-70.9	-38.1	175.4	-172.9	-87.4	0	0	0	110.8	L312 N314 R315 D355 T359 R360 N361 S399 L402	L312-Y357 HydrophobicContact CD2-CD1 3.8Å; L312-Y357 HydrophobicContact CD2-CE1 4.09Å; L312-Y357 HydrophobicContact CG-CD1 4.01Å; L312-Y357 HydrophobicContact CG-CE1 3.86Å; L312-Y357 WeakPolarHBondContact O-CE1 3.46Å; L312-Y357 PolarHBondContact O-OH 2.74Å; N314-Y357 PolarHBondContact N-OH 2.92Å; N314-Y357 PolarHBondContact OD1-OH 3.43Å; R315-Y357 HydrophobicContact CB-CE1 4.44Å; R315-Y357 HydrophobicContact CG-CE1 4.06Å; D355-Y357 PolarHBondContact O-N 3.4Å; D355-Y357 WeakPolarHBondContact OD2-CA 2.92Å; D355-Y357 VanDerWaalsContact OD2-CB 3.3Å; D355-Y357 WeakPolarHBondContact OD2-CB 3.21Å; D355-Y357 PolarHBondContact OD2-N 2.77Å; Y357-T359 PolarHBondContact O-N 3.25Å; Y357-R360 PolarHBondContact O-N 2.74Å; Y357-N361 VanDerWaalsContact CD2-ND2 3.29Å; Y357-N361 WeakPolarHBondContact CD2-ND2 3.46Å; Y357-N361 HydrophobicContact CE1-CB 4.17Å; Y357-N361 WeakPolarHBondContact CE2-ND2 3.36Å; Y357-N361 VanDerWaalsContact CZ-ND2 3.34Å; Y357-N361 WeakPolarHBondContact O-CB 3.43Å; Y357-N361 PolarHBondContact O-N 3.49Å; Y357-N361 VanDerWaalsContact O-N 3.11Å; Y357-N361 PolarHBondContact O-ND2 3.5Å; Y357-S399 WeakPolarHBondContact OH-CB 3.45Å; Y357-L402 HydrophobicContact CD2-CD1 4.29Å; Y357-L402 HydrophobicContact CD2-CG 4.3Å; Y357-L402 HydrophobicContact CG-CD1 4.45Å
358	F	89.1	Confident	88.2	Confident	1 Å²	1	69.6 Å²	69.6	0%	0.004	35%	0.354	C	S	.	.	H	α-helix	trans	-62.2	-39.4	175.3	-175.3	-101.8	0	0	0	112.9	L312 K327 L340 W341 F344 C354 D355 V363	L312-F358 HydrophobicContact CD1-CD2 3.7Å; L312-F358 HydrophobicContact CD1-CE2 4.25Å; L312-F358 HydrophobicContact CD2-CB 4.28Å; L312-F358 HydrophobicContact CD2-CD2 3.84Å; L312-F358 HydrophobicContact CG-CD2 4.44Å; K327-F358 HydrophobicContact CB-CZ 4.21Å; K327-F358 HydrophobicContact CD-CE1 3.98Å; K327-F358 HydrophobicContact CD-CE2 4.29Å; K327-F358 HydrophobicContact CD-CZ 3.78Å; K327-F358 WeakPolarHBondContact CE-O 3.42Å; K327-F358 HydrophobicContact CG-CE1 4.28Å; K327-F358 HydrophobicContact CG-CE2 4.07Å; K327-F358 HydrophobicContact CG-CZ 3.6Å; K327-F358 PolarHBondContact NZ-O 3.14Å; L340-F358 HydrophobicContact CG-CE2 4.29Å; W341-F358 HydrophobicContact CD2-CE1 4.45Å; W341-F358 AromaticContact CE3-CE1 3.92Å; W341-F358 HydrophobicContact CE3-CE1 3.92Å; W341-F358 HydrophobicContact CE3-CZ 4.35Å; W341-F358 HydrophobicContact CZ3-CE1 4.26Å; F344-F358 HydrophobicContact CB-CB 3.92Å; F344-F358 HydrophobicContact CB-CD1 3.9Å; F344-F358 HydrophobicContact CB-CD2 3.75Å; F344-F358 HydrophobicContact CB-CE1 4.31Å; F344-F358 HydrophobicContact CB-CE2 4.19Å; F344-F358 HydrophobicContact CB-CG 3.59Å; F344-F358 HydrophobicContact CB-CZ 4.44Å; F344-F358 HydrophobicContact CD1-CB 4.07Å; F344-F358 HydrophobicContact CD1-CD2 4.19Å; F344-F358 HydrophobicContact CD1-CG 4.35Å; F344-F358 AromaticContact CD2-CD2 3.65Å; F344-F358 HydrophobicContact CD2-CD2 3.65Å; F344-F358 AromaticContact CD2-CE2 3.81Å; F344-F358 HydrophobicContact CD2-CE2 3.81Å; F344-F358 HydrophobicContact CD2-CG 4.37Å; F344-F358 HydrophobicContact CE2-CD2 4.3Å; F344-F358 HydrophobicContact CG-CB 4.07Å; F344-F358 AromaticContact CG-CD2 3.59Å; F344-F358 HydrophobicContact CG-CD2 3.59Å; F344-F358 HydrophobicContact CG-CE2 4.13Å; F344-F358 AromaticContact CG-CG 3.86Å; F344-F358 HydrophobicContact CG-CG 3.86Å; C354-F358 HydrophobicContact CB-CD1 4.29Å; D355-F358 HydrophobicContact CB-CB 3.99Å; D355-F358 PolarHBondContact O-N 3.14Å; D355-F358 PolarHBondContact OD2-N 3.46Å; F358-V363 HydrophobicContact CE2-CG2 4.2Å
359	T	88.1	Confident	88.5	Confident	84 Å²	84	60.1 Å²	60.1	52%	0.515	32%	0.318	S	S	.	.	H	α-helix	trans	-71.8	-38.6	178.1	51.2	0	0	0	0	112.7	C354 D355 E356 Y357	C354-T359 HydrophobicContact CB-CG2 3.64Å; D355-T359 WeakPolarHBondContact O-CG2 3.45Å; D355-T359 PolarHBondContact O-N 2.97Å; D355-T359 PolarHBondContact O-OG1 3.04Å; E356-T359 PolarHBondContact O-OG1 3.21Å; Y357-T359 PolarHBondContact O-N 3.25Å
360	R	89.1	Confident	88.9	Confident	116 Å²	116	56 Å²	56	44%	0.438	30%	0.299	S	S	.	.	H	α-helix	trans	-75.8	-28.2	-176.6	-70.1	173.8	177.7	-155.4	-1.7	114.7	E356 Y357 V400 G401	E356-R360 WeakPolarHBondContact O-CB 3.37Å; E356-R360 WeakPolarHBondContact O-CD 3.42Å; E356-R360 WeakPolarHBondContact O-CG 3.39Å; E356-R360 PolarHBondContact O-N 3.43Å; E356-R360 IonicContact OE1-CZ 3.13Å; E356-R360 IonicContact OE1-NE 3.14Å; E356-R360 PolarHBondContact OE1-NE 3.31Å; E356-R360 IonicContact OE1-NH2 2.59Å; E356-R360 PolarHBondContact OE1-NH2 3.01Å; Y357-R360 PolarHBondContact O-N 2.74Å; R360-V400 HydrophobicContact CB-CB 4.34Å; R360-V400 HydrophobicContact CB-CG1 4.5Å; R360-G401 PolarHBondContact NH1-O 2.98Å
361	N	90.6	Very high	89.3	Confident	6 Å²	6	51.5 Å²	51.5	3%	0.032	28%	0.275	C	S	.	.	S	Bend	trans	-112.8	143.6	-172.4	-65.3	-71.7	0	0	0	112.4	K327 Y357 S399 V400	K327-N361 VanDerWaalsContact CE-O 3.3Å; K327-N361 WeakPolarHBondContact CE-O 3.43Å; K327-N361 PolarHBondContact NZ-O 3.13Å; Y357-N361 VanDerWaalsContact CD2-ND2 3.29Å; Y357-N361 WeakPolarHBondContact CD2-ND2 3.46Å; Y357-N361 HydrophobicContact CE1-CB 4.17Å; Y357-N361 WeakPolarHBondContact CE2-ND2 3.36Å; Y357-N361 VanDerWaalsContact CZ-ND2 3.34Å; Y357-N361 WeakPolarHBondContact O-CB 3.43Å; Y357-N361 PolarHBondContact O-N 3.49Å; Y357-N361 VanDerWaalsContact O-N 3.11Å; Y357-N361 PolarHBondContact O-ND2 3.5Å; N361-S399 WeakPolarHBondContact OD1-CA 3.44Å; N361-V400 PolarHBondContact ND2-O 2.97Å; N361-V400 PolarHBondContact OD1-N 3.44Å
362	N	91.7	Very high	89.4	Confident	125 Å²	125	46 Å²	46	67%	0.668	25%	0.252	S	S	*	.			trans	-77.9	150.1	176.1	-71.2	-18.2	0	0	0	111.5	G313	G313-N362 PolarHBondContact N-O 2.94Å
363	V	91.7	Very high	89.6	Confident	24 Å²	24	49.1 Å²	49.1	15%	0.145	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	129	169.1	176.8	0	0	0	0	107.6	L311 L312 C325 K327 L340 F358	L311-V363 CarbonylContact O-C 3.47Å; L311-V363 WeakPolarHBondContact O-CA 3.44Å; L312-V363 HydrophobicContact CD1-CG2 3.58Å; C325-V363 VanDerWaalsContact SG-CG1 3.54Å; K327-V363 HydrophobicContact CD-CG2 4.36Å; K327-V363 HydrophobicContact CG-CB 4.29Å; K327-V363 HydrophobicContact CG-CG2 3.65Å; L340-V363 HydrophobicContact CD2-CG1 3.96Å; L340-V363 HydrophobicContact CD2-CG2 3.91Å; F358-V363 HydrophobicContact CE2-CG2 4.2Å
364	T	92.1	Very high	89.6	Confident	51 Å²	51	46.5 Å²	46.5	31%	0.313	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	144.5	-178.5	56.1	0	0	0	0	110	L311 M397	L311-T364 PolarHBondContact N-O 3.29Å; L311-T364 PolarHBondContact O-N 3.48Å; T364-M397 VanDerWaalsContact OG1-CE 3.3Å; T364-M397 WeakPolarHBondContact OG1-CE 3.48Å
365	E	91.1	Very high	89.7	Confident	100 Å²	100	46.9 Å²	46.9	47%	0.467	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125.6	175.8	-167.3	164.5	-127.4	0	0	108.6	P308 I309 R319 C325	P308-E365 HydrophobicContact CB-CG 3.64Å; I309-E365 WeakPolarHBondContact O-CA 3.29Å; R319-E365 IonicContact CZ-OE1 2.86Å; R319-E365 IonicContact NH1-OE1 3.44Å; R319-E365 PolarHBondContact NH1-OE1 3.42Å; R319-E365 IonicContact NH2-OE1 3.88Å; R319-E365 PolarHBondContact NH2-OE1 3.49Å; C325-E365 HydrophobicContact CB-CB 4.27Å; C325-E365 HydrophobicContact CB-CG 4.3Å; C325-E365 WeakPolarHBondContact CB-OE1 3.35Å
366	I	91.9	Very high	89.9	Confident	34 Å²	34	45.1 Å²	45.1	17%	0.174	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	159.4	-179	58.8	163.6	0	0	0	109.7	P308 I309 L311 E481	P308-I366 CarbonylContact C-O 3.6Å; P308-I366 WeakPolarHBondContact CA-O 3.26Å; I309-I366 HydrophobicContact CD1-CD1 3.59Å; I309-I366 HydrophobicContact CD1-CG1 3.8Å; I309-I366 HydrophobicContact CG1-CD1 3.79Å; I309-I366 HydrophobicContact CG1-CG1 3.37Å; I309-I366 PolarHBondContact N-O 2.97Å; I309-I366 PolarHBondContact O-N 2.79Å; L311-I366 HydrophobicContact CD1-CD1 3.4Å; L311-I366 HydrophobicContact CD1-CG1 4Å; L311-I366 HydrophobicContact CG-CD1 3.97Å; L311-I366 HydrophobicContact CG-CG1 4.18Å; I366-E481 HydrophobicContact CD1-CG 4.45Å
367	Q	92.4	Very high	90.2	Very high	55 Å²	55	44.5 Å²	44.5	26%	0.257	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	121.1	179.3	-178.6	60.3	23	0	0	110.7	P305 I369	P305-Q367 PolarHBondContact O-NE2 3.15Å; Q367-I369 WeakPolarHBondContact CG-O 3.37Å; Q367-I369 PolarHBondContact NE2-O 2.95Å
368	G	91.3	Very high	90.3	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.298	C	S	.	.	S	Bend	trans	-74.2	-25.7	-179.5	0	0	0	0	0	114.2	F307 E481	F307-G368 WeakPolarHBondContact O-CA 3.34Å; F307-G368 PolarHBondContact O-N 3.32Å; G368-E481 WeakPolarHBondContact O-CB 3.42Å; G368-E481 PolarHBondContact O-N 2.98Å
369	I	92.3	Very high	90.4	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.322	C	S	.	.			trans	-124.9	86.9	173.6	-56.9	176.3	0	0	0	107.9	P304 P305 F307 Q367 G371 C479 T501 L502	P304-I369 WeakPolarHBondContact CB-O 3.47Å; P305-I369 HydrophobicContact CG-CB 4.09Å; P305-I369 HydrophobicContact CG-CD1 3.89Å; P305-I369 HydrophobicContact CG-CG2 3.87Å; F307-I369 HydrophobicContact CD2-CD1 4.23Å; Q367-I369 WeakPolarHBondContact CG-O 3.37Å; Q367-I369 PolarHBondContact NE2-O 2.95Å; I369-G371 PolarHBondContact O-N 3.02Å; I369-C479 WeakPolarHBondContact CG2-O 3.47Å; I369-T501 VanDerWaalsContact CD1-C 3.43Å; I369-T501 WeakPolarHBondContact CD1-O 3.47Å; I369-T501 WeakPolarHBondContact CD1-OG1 3.48Å; I369-L502 HydrophobicContact CD1-CB 4.4Å; I369-L502 HydrophobicContact CG2-CD1 4.08Å
370	P	91.7	Very high	90.7	Very high	35 Å²	35	54.6 Å²	54.6	23%	0.227	30%	0.302	C	S	.	.			trans	-74	-13.1	176.3	31.9	-37.6	0	0	0	112.4	L376 C479	P370-L376 HydrophobicContact CG-CD2 4.06Å; P370-C479 WeakPolarHBondContact CD-O 3.48Å
371	G	90.4	Very high	90.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.294	C	S	.	.			trans	87.1	168.9	176.4	0	0	0	0	0	113.9	I369 A373 S374 C479	I369-G371 PolarHBondContact O-N 3.02Å; G371-A373 PolarHBondContact O-N 2.67Å; G371-S374 VanDerWaalsContact O-CB 3.3Å; G371-S374 WeakPolarHBondContact O-CB 3.26Å; G371-S374 PolarHBondContact O-N 2.91Å; G371-S374 PolarHBondContact O-OG 3.45Å; G371-C479 PolarHBondContact N-O 2.76Å
372	A	87.5	Confident	91	Very high	43 Å²	43	59.4 Å²	59.4	36%	0.355	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-62.3	-26	-171.8	0	0	0	0	0	114.7	A301 S374	A301-A372 HydrophobicContact CB-CB 4.47Å; A372-S374 VanDerWaalsContact C-N 3.29Å; A372-S374 PolarHBondContact O-N 2.88Å
373	A	88.3	Confident	91.1	Very high	85 Å²	85	55.1 Å²	55.1	70%	0.702	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-80.7	-6.3	-178.2	0	0	0	0	0	113.9	G371 G375	G371-A373 PolarHBondContact O-N 2.67Å; A373-G375 VanDerWaalsContact C-N 3.34Å; A373-G375 PolarHBondContact O-N 2.71Å
374	S	87.3	Confident	91	Very high	56 Å²	56	54.7 Å²	54.7	39%	0.392	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-72.8	-19	-172.5	62.8	0	0	0	0	115.3	G371 A372 L376	G371-S374 VanDerWaalsContact O-CB 3.3Å; G371-S374 WeakPolarHBondContact O-CB 3.26Å; G371-S374 PolarHBondContact O-N 2.91Å; G371-S374 PolarHBondContact O-OG 3.45Å; A372-S374 VanDerWaalsContact C-N 3.29Å; A372-S374 PolarHBondContact O-N 2.88Å; S374-L376 VanDerWaalsContact C-N 3.3Å; S374-L376 WeakPolarHBondContact OG-CB 3.4Å; S374-L376 PolarHBondContact OG-N 3.5Å
375	G	88.5	Confident	91	Very high	41 Å²	41	55.8 Å²	55.8	42%	0.423	30%	0.3	S	S	.	.			trans	80.7	7.5	-173.9	0	0	0	0	0	114.7	A373 I377 K378	A373-G375 VanDerWaalsContact C-N 3.34Å; A373-G375 PolarHBondContact O-N 2.71Å; G375-I377 PolarHBondContact O-N 2.85Å; G375-I377 VanDerWaalsContact O-N 3.08Å; G375-K378 PolarHBondContact O-N 3.41Å
376	L	89.9	Confident	90.9	Very high	7 Å²	7	52.3 Å²	52.3	4%	0.037	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-58.6	-21.8	-179.1	-167.1	78.4	0	0	0	114.2	P370 S374 K378 E379 N380 I480 E481	P370-L376 HydrophobicContact CG-CD2 4.06Å; S374-L376 VanDerWaalsContact C-N 3.3Å; S374-L376 WeakPolarHBondContact OG-CB 3.4Å; S374-L376 PolarHBondContact OG-N 3.5Å; L376-K378 PolarHBondContact O-N 3.01Å; L376-E379 HydrophobicContact CD1-CB 4.47Å; L376-E379 PolarHBondContact O-N 3.5Å; L376-N380 WeakPolarHBondContact CD2-ND2 3.42Å; L376-N380 PolarHBondContact O-N 3.28Å; L376-I480 WeakPolarHBondContact CD2-O 3.31Å; L376-E481 WeakPolarHBondContact CD1-OE2 3.32Å
377	I	90.4	Very high	90.9	Very high	70 Å²	70	54.5 Å²	54.5	36%	0.359	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-49.9	-32.3	175.7	-162.7	172.9	0	0	0	113.3	I152 G375 L381 A478	I152-I377 HydrophobicContact CD1-CG1 3.6Å; G375-I377 PolarHBondContact O-N 2.85Å; G375-I377 VanDerWaalsContact O-N 3.08Å; I377-L381 PolarHBondContact O-N 3.32Å; I377-A478 HydrophobicContact CB-CB 4.31Å; I377-A478 HydrophobicContact CD1-CB 4.48Å; I377-A478 HydrophobicContact CG1-CB 4.48Å
378	K	91.3	Very high	90.6	Very high	173 Å²	173	58.8 Å²	58.8	75%	0.752	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-71.4	-34.1	178.3	-68.5	-178	-179.7	176.8	0	112.6	G375 L376	G375-K378 PolarHBondContact O-N 3.41Å; L376-K378 PolarHBondContact O-N 3.01Å
379	E	90.2	Very high	90.3	Very high	108 Å²	108	59.9 Å²	59.9	51%	0.505	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-37.8	-179.8	-62.9	-173.1	-175.4	0	0	111.1	L376 L381 R394	L376-E379 HydrophobicContact CD1-CB 4.47Å; L376-E379 PolarHBondContact O-N 3.5Å; E379-L381 VanDerWaalsContact C-N 3.33Å; E379-L381 PolarHBondContact O-N 3.44Å; E379-R394 IonicContact OE2-NH2 2.75Å; E379-R394 PolarHBondContact OE2-NH2 3.23Å
380	N	94.1	Very high	90	Very high	17 Å²	17	62.8 Å²	62.8	9%	0.091	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	5.9	-178.7	-71.4	-24.4	0	0	0	114.3	G151 I152 L376 W382 G477 I480 G482	G151-N380 WeakPolarHBondContact CA-O 3.38Å; I152-N380 HydrophobicContact CD1-CB 4.24Å; I152-N380 HydrophobicContact CG1-CB 4.49Å; I152-N380 WeakPolarHBondContact CG1-O 3.25Å; I152-N380 PolarHBondContact N-O 3.24Å; L376-N380 WeakPolarHBondContact CD2-ND2 3.42Å; L376-N380 PolarHBondContact O-N 3.28Å; N380-W382 VanDerWaalsContact C-N 3.31Å; N380-W382 PolarHBondContact O-N 3.25Å; N380-G477 WeakPolarHBondContact CB-O 3.4Å; N380-G477 PolarHBondContact ND2-O 2.91Å; N380-I480 PolarHBondContact ND2-O 3.48Å; N380-G482 WeakPolarHBondContact OD1-CA 3.5Å
381	L	93.7	Very high	89.9	Confident	53 Å²	53	61.8 Å²	61.8	28%	0.277	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-34	-175.3	-166.9	68.2	0	0	0	112.7	I152 M153 I377 E379	I152-L381 HydrophobicContact CB-CD1 4.47Å; I152-L381 PolarHBondContact N-O 2.92Å; M153-L381 HydrophobicContact CG-CD1 3.62Å; M153-L381 HydrophobicContact CG-CG 3.83Å; M153-L381 PolarHBondContact N-O 3.38Å; M153-L381 HydrophobicContact SD-CD1 4.14Å; I377-L381 PolarHBondContact O-N 3.32Å; E379-L381 VanDerWaalsContact C-N 3.33Å; E379-L381 PolarHBondContact O-N 3.44Å
382	W	93.5	Very high	89.9	Confident	171 Å²	171	61.9 Å²	61.9	65%	0.648	34%	0.34	S	S	*	.	S	Bend	trans	-107.7	154.6	-169.2	-57.4	109.5	0	0	0	113	N380	N380-W382 VanDerWaalsContact C-N 3.31Å; N380-W382 PolarHBondContact O-N 3.25Å
383	S	93	Very high	90	Very high	35 Å²	35	63.3 Å²	63.3	25%	0.245	34%	0.339	C	S	.	.			trans	-65.2	149.6	178.7	62.5	0	0	0	0	113.6	I149 A150 R395	I149-S383 CarbonylContact O-C 3.58Å; I149-S383 WeakPolarHBondContact O-CA 3.32Å; A150-S383 VanDerWaalsContact O-CA 3.3Å; A150-S383 WeakPolarHBondContact O-CA 3.37Å; A150-S383 WeakPolarHBondContact O-CB 3.3Å; A150-S383 PolarHBondContact O-N 3Å; S383-R395 PolarHBondContact O-NH2 2.92Å
384	S	90.5	Very high	90.1	Very high	14 Å²	14	61.2 Å²	61.2	10%	0.098	31%	0.313	C	S	.	.			trans	-138	65.8	175	-62.4	0	0	0	0	109.5	I149 L386 R395	I149-S384 CarbonylContact O-C 3.59Å; I149-S384 PolarHBondContact O-N 2.89Å; S384-L386 PolarHBondContact O-N 3.38Å; S384-R395 VanDerWaalsContact OG-CZ 3.25Å; S384-R395 PolarHBondContact OG-NH1 3.29Å; S384-R395 PolarHBondContact OG-NH2 3.34Å; S384-R395 VanDerWaalsContact OG-NH2 3.07Å
385	Y	92.4	Very high	90	Very high	75 Å²	75	65.8 Å²	65.8	29%	0.294	32%	0.322	S	S	.	.			trans	-65.3	127.6	175.5	-66.9	-63.9	0	0	0	111.2	I149 E154 S421 F423 L426	I149-Y385 HydrophobicContact CG2-CD1 3.6Å; I149-Y385 HydrophobicContact CG2-CE1 3.91Å; E154-Y385 WeakPolarHBondContact OE2-CE2 3.36Å; E154-Y385 VanDerWaalsContact OE2-CZ 3.28Å; E154-Y385 PolarHBondContact OE2-OH 3.36Å; Y385-S421 WeakPolarHBondContact CB-O 3.46Å; Y385-S421 VanDerWaalsContact CD1-O 3.25Å; Y385-S421 WeakPolarHBondContact CD1-O 3.22Å; Y385-F423 WeakPolarHBondContact OH-CA 3.45Å; Y385-F423 WeakPolarHBondContact OH-CB 3.43Å; Y385-L426 HydrophobicContact CE1-CD1 3.87Å
386	L	89.4	Confident	89.5	Confident	26 Å²	26	67.9 Å²	67.9	14%	0.136	34%	0.343	C	S	.	.			trans	-117.5	145.5	-178	-63.7	169.5	0	0	0	109.9	I149 S384 V390 V392 S417 T420 S421	I149-L386 HydrophobicContact CD1-CD1 4.18Å; S384-L386 PolarHBondContact O-N 3.38Å; L386-V390 HydrophobicContact CD2-CG1 4.12Å; L386-V392 HydrophobicContact CD1-CG2 4.24Å; L386-S417 WeakPolarHBondContact CB-OG 3.04Å; L386-T420 WeakPolarHBondContact O-CA 3.42Å; L386-S421 PolarHBondContact O-N 3.15Å
387	T	90.2	Very high	89.2	Confident	81 Å²	81	69.8 Å²	69.8	50%	0.497	35%	0.353	S	S	.	.			trans	-85.2	151.8	167.5	50.4	0	0	0	0	110.1	G389 V390 T420	T387-G389 PolarHBondContact O-N 2.98Å; T387-V390 WeakPolarHBondContact O-CB 3.44Å; T387-V390 WeakPolarHBondContact O-CG2 3.44Å; T387-V390 PolarHBondContact O-N 3.47Å; T387-V390 WeakPolarHBondContact OG1-CG2 3.31Å; T387-T420 HydrophobicContact CG2-CG2 4.25Å
388	K	87.1	Confident	88.6	Confident	144 Å²	144	72.1 Å²	72.1	63%	0.626	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	133.1	177.2	-178.5	169	-175.5	176.3	0	111.3	S417 D418 T420	K388-S417 WeakPolarHBondContact CA-O 3.48Å; K388-D418 WeakPolarHBondContact CD-O 3.39Å; K388-D418 WeakPolarHBondContact CE-O 3.49Å; K388-D418 WeakPolarHBondContact CG-O 3.27Å; K388-T420 PolarHBondContact N-OG1 2.92Å
389	G	83.8	Confident	88.2	Confident	24 Å²	24	66 Å²	66	25%	0.247	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	2.8	177.7	0	0	0	0	0	115.6	T387 F416 S417	T387-G389 PolarHBondContact O-N 2.98Å; G389-F416 WeakPolarHBondContact O-CD1 3.5Å; G389-S417 PolarHBondContact N-O 3.38Å
390	V	87.7	Confident	87.8	Confident	60 Å²	60	64.7 Å²	64.7	36%	0.364	35%	0.35	S	S	.	.			trans	-80.7	139.7	173.9	175.1	0	0	0	0	110.6	L386 T387 S417	L386-V390 HydrophobicContact CD2-CG1 4.12Å; T387-V390 WeakPolarHBondContact O-CB 3.44Å; T387-V390 WeakPolarHBondContact O-CG2 3.44Å; T387-V390 PolarHBondContact O-N 3.47Å; T387-V390 WeakPolarHBondContact OG1-CG2 3.31Å; V390-S417 PolarHBondContact O-N 2.93Å
391	I	88.6	Confident	86.8	Confident	15 Å²	15	66 Å²	66	8%	0.077	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-67.4	138.2	177.9	-59.4	158.8	0	0	0	110.6	R315 E393 V408 Y414 F416	R315-I391 HydrophobicContact CB-CG2 3.97Å; R315-I391 HydrophobicContact CG-CG2 3.98Å; I391-E393 HydrophobicContact CG2-CG 4.37Å; I391-E393 PolarHBondContact O-N 3.16Å; I391-V408 HydrophobicContact CD1-CG1 3.77Å; I391-V408 HydrophobicContact CD1-CG2 4.14Å; I391-V408 HydrophobicContact CG1-CG1 4.46Å; I391-Y414 HydrophobicContact CD1-CD2 4.16Å; I391-Y414 HydrophobicContact CD1-CE2 4.5Å; I391-Y414 HydrophobicContact CD1-CG 4.31Å; I391-Y414 HydrophobicContact CG1-CG 4.37Å; I391-Y414 HydrophobicContact CG2-CD1 4.38Å; I391-Y414 HydrophobicContact CG2-CG 4.37Å; I391-F416 HydrophobicContact CD1-CE1 4.45Å; I391-F416 HydrophobicContact CG1-CD1 3.89Å; I391-F416 HydrophobicContact CG1-CE1 3.58Å; I391-F416 HydrophobicContact CG1-CZ 4.49Å
392	V	90.4	Very high	85.8	Confident	1 Å²	1	65 Å²	65	1%	0.006	36%	0.363	C	S	.	.			trans	-78.5	107.6	175.6	-178.5	0	0	0	0	110.1	T316 L386 V415 V483 R486	T316-V392 VanDerWaalsContact CB-O 3.28Å; T316-V392 WeakPolarHBondContact CB-O 3.17Å; T316-V392 PolarHBondContact N-O 2.89Å; T316-V392 VanDerWaalsContact N-O 3.13Å; T316-V392 PolarHBondContact OG1-O 3.14Å; L386-V392 HydrophobicContact CD1-CG2 4.24Å; V392-V415 HydrophobicContact CB-CG1 4.4Å; V392-V415 HydrophobicContact CG2-CG1 4.08Å; V392-V415 PolarHBondContact N-O 3.11Å; V392-V483 HydrophobicContact CG1-CB 4.09Å; V392-V483 HydrophobicContact CG1-CG1 4.15Å; V392-R486 HydrophobicContact CG1-CB 3.9Å
393	E	90	Very high	84.3	Confident	73 Å²	73	60.5 Å²	60.5	34%	0.341	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-106	144.1	-177.2	-62.6	-177.3	161.8	0	0	113.2	N314 R315 I391 R486	N314-E393 PolarHBondContact ND2-OE2 3.3Å; N314-E393 CarbonylContact O-C 3.59Å; N314-E393 WeakPolarHBondContact O-CA 3.4Å; N314-E393 WeakPolarHBondContact O-CB 3.28Å; R315-E393 HydrophobicContact CG-CG 4.19Å; R315-E393 IonicContact NE-OE1 3.37Å; I391-E393 HydrophobicContact CG2-CG 4.37Å; I391-E393 PolarHBondContact O-N 3.16Å; E393-R486 VanDerWaalsContact O-CZ 3.28Å; E393-R486 PolarHBondContact O-NH1 3.06Å; E393-R486 PolarHBondContact O-NH2 3.19Å
394	R	90.1	Very high	82.4	Confident	42 Å²	42	67.4 Å²	67.4	16%	0.158	40%	0.396	C	S	.	.			trans	-82.1	124	171	-175.3	174	178.8	138.6	19.4	110.1	L311 N314 E379 M397 E481 V483	L311-R394 HydrophobicContact CD1-CB 4.13Å; N314-R394 PolarHBondContact O-N 3.49Å; E379-R394 IonicContact OE2-NH2 2.75Å; E379-R394 PolarHBondContact OE2-NH2 3.23Å; R394-M397 HydrophobicContact CB-CG 4.17Å; R394-M397 HydrophobicContact CG-CG 4Å; R394-E481 IonicContact CZ-OE1 2.98Å; R394-E481 IonicContact CZ-OE2 3.27Å; R394-E481 IonicContact NE-OE1 3.88Å; R394-E481 PolarHBondContact NE-OE1 2.71Å; R394-E481 IonicContact NH1-OE1 3.64Å; R394-E481 PolarHBondContact NH1-OE1 3.01Å; R394-E481 IonicContact NH1-OE2 3.34Å; R394-E481 PolarHBondContact NH1-OE2 2.89Å; R394-E481 IonicContact NH2-OE1 3.38Å; R394-E481 PolarHBondContact NH2-OE1 2.81Å; R394-E481 IonicContact NH2-OE2 3.75Å; R394-E481 PolarHBondContact NH2-OE2 3.29Å; R394-V483 HydrophobicContact CB-CG1 3.73Å; R394-V483 HydrophobicContact CG-CG1 4.5Å
395	R	84.5	Confident	80.9	Confident	152 Å²	152	70.5 Å²	70.5	57%	0.574	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	141	174.4	-67.1	-177.5	178.3	167	1.6	110.1	S383 S384	S383-R395 PolarHBondContact O-NH2 2.92Å; S384-R395 VanDerWaalsContact OG-CZ 3.25Å; S384-R395 PolarHBondContact OG-NH1 3.29Å; S384-R395 PolarHBondContact OG-NH2 3.34Å; S384-R395 VanDerWaalsContact OG-NH2 3.07Å
396	G	79	Confident	79.4	Confident	85 Å²	85	69.9 Å²	69.9	88%	0.876	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.1	-3.3	175.1	0	0	0	0	0	116.1
397	M	82.8	Confident	78	Confident	47 Å²	47	74.6 Å²	74.6	23%	0.232	47%	0.467	C	S	.	.			trans	-83.8	135.1	172.2	-76	-85.1	-76.7	0	0	110.9	L311 G313 N314 T364 R394 S399	L311-M397 HydrophobicContact CB-CE 4.34Å; L311-M397 HydrophobicContact CD1-CE 3.61Å; L311-M397 HydrophobicContact CD1-CG 4.41Å; G313-M397 VanDerWaalsContact O-CE 3.25Å; G313-M397 WeakPolarHBondContact O-CE 3.46Å; N314-M397 HydrophobicContact CB-CB 4.18Å; T364-M397 VanDerWaalsContact OG1-CE 3.3Å; T364-M397 WeakPolarHBondContact OG1-CE 3.48Å; R394-M397 HydrophobicContact CB-CG 4.17Å; R394-M397 HydrophobicContact CG-CG 4Å; M397-S399 PolarHBondContact O-N 3.36Å
398	P	78.7	Confident	76.8	Confident	118 Å²	118	73.5 Å²	73.5	77%	0.766	46%	0.46	S	S	*	.			trans	-70.3	124.2	175.7	28.2	-32.5	0	0	0	110.6
399	S	82.7	Confident	75.9	Confident	46 Å²	46	70.7 Å²	70.7	32%	0.322	45%	0.451	S	S	.	.			trans	-139.6	140.8	174.4	59.8	0	0	0	0	111.3	N314 Y357 N361 M397	N314-S399 PolarHBondContact ND2-OG 3.44Å; N314-S399 PolarHBondContact OD1-OG 3.28Å; Y357-S399 WeakPolarHBondContact OH-CB 3.45Å; N361-S399 WeakPolarHBondContact OD1-CA 3.44Å; M397-S399 PolarHBondContact O-N 3.36Å
400	V	82.1	Confident	75.1	Confident	79 Å²	79	73.8 Å²	73.8	48%	0.479	46%	0.461	S	S	.	.			trans	-89.9	111.1	171.5	-175.9	0	0	0	0	108	R360 N361	R360-V400 HydrophobicContact CB-CB 4.34Å; R360-V400 HydrophobicContact CB-CG1 4.5Å; N361-V400 PolarHBondContact ND2-O 2.97Å; N361-V400 PolarHBondContact OD1-N 3.44Å
401	G	73	Confident	74.2	Confident	46 Å²	46	75.8 Å²	75.8	47%	0.474	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-65.3	160.1	177.4	0	0	0	0	0	113.2	R360	R360-G401 PolarHBondContact NH1-O 2.98Å
402	L	72.6	Confident	73.7	Confident	32 Å²	32	76.6 Å²	76.6	17%	0.168	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-78	160.1	163.6	-70	151.8	0	0	0	109.1	E356 Y357 D404 T406	E356-L402 HydrophobicContact CB-CD2 3.66Å; E356-L402 HydrophobicContact CG-CD2 3.66Å; E356-L402 VanDerWaalsContact OE2-CD2 3.28Å; E356-L402 WeakPolarHBondContact OE2-CD2 3.29Å; Y357-L402 HydrophobicContact CD2-CD1 4.29Å; Y357-L402 HydrophobicContact CD2-CG 4.3Å; Y357-L402 HydrophobicContact CG-CD1 4.45Å; L402-D404 PolarHBondContact O-N 3.46Å; L402-T406 VanDerWaalsContact CB-OG1 3.27Å; L402-T406 WeakPolarHBondContact CB-OG1 3.19Å
403	A	62.1	Low	73.5	Confident	75 Å²	75	77.4 Å²	77.4	62%	0.62	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-60.9	138	168.3	0	0	0	0	0	109.6	G405 T406	A403-G405 PolarHBondContact O-N 3.03Å; A403-T406 PolarHBondContact O-OG1 2.81Å
404	D	53.6	Low	73.4	Confident	181 Å²	181	74.2 Å²	74.2	97%	0.968	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.5	126.8	-177.6	-80.6	-28	0	0	0	111.5	L402	L402-D404 PolarHBondContact O-N 3.46Å
405	G	57.9	Low	73.4	Confident	78 Å²	78	72.3 Å²	72.3	80%	0.804	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	102	6.2	172.7	0	0	0	0	0	116.9	A403 P407	A403-G405 PolarHBondContact O-N 3.03Å; G405-P407 WeakPolarHBondContact O-CD 3.4Å
406	T	60.3	Low	73.5	Confident	63 Å²	63	67.6 Å²	67.6	39%	0.387	44%	0.44	S	S	.	.			trans	-69.8	121.5	168	38.7	0	0	0	0	110.1	L402 A403 V408	L402-T406 VanDerWaalsContact CB-OG1 3.27Å; L402-T406 WeakPolarHBondContact CB-OG1 3.19Å; A403-T406 PolarHBondContact O-OG1 2.81Å; T406-V408 PolarHBondContact O-N 3.11Å
407	P	61.3	Low	74	Confident	125 Å²	125	63.9 Å²	63.9	81%	0.812	40%	0.4	S	S	*	.			trans	-64.2	123.1	177.6	24.8	-30.7	0	0	0	108.9	G405 D409	G405-P407 WeakPolarHBondContact O-CD 3.4Å; P407-D409 PolarHBondContact O-N 2.98Å
408	V	65.4	Low	74	Confident	58 Å²	58	64.3 Å²	64.3	35%	0.352	40%	0.403	S	S	.	.			trans	-71.7	115.7	169.2	177.2	0	0	0	0	106.6	I391 T406 M410 Y414 F416	I391-V408 HydrophobicContact CD1-CG1 3.77Å; I391-V408 HydrophobicContact CD1-CG2 4.14Å; I391-V408 HydrophobicContact CG1-CG1 4.46Å; T406-V408 PolarHBondContact O-N 3.11Å; V408-M410 PolarHBondContact O-N 3.27Å; V408-Y414 HydrophobicContact CG1-CD2 4.35Å; V408-Y414 HydrophobicContact CG1-CE2 4.45Å; V408-F416 HydrophobicContact CG1-CE1 4.25Å; V408-F416 HydrophobicContact CG1-CZ 4.46Å
409	D	66.6	Low	74.4	Confident	85 Å²	85	60.1 Å²	60.1	46%	0.455	37%	0.374	S	S	.	.			trans	-72	120.7	173.9	-176.8	1.5	0	0	0	109	P407 D411 H412	P407-D409 PolarHBondContact O-N 2.98Å; D409-D411 PolarHBondContact O-N 3.03Å; D409-D411 PolarHBondContact OD1-N 3.19Å; D409-H412 WeakPolarHBondContact CB-ND1 3.06Å; D409-H412 WeakPolarHBondContact O-CB 3.36Å; D409-H412 PolarHBondContact O-N 3.06Å; D409-H412 PolarHBondContact O-ND1 3.06Å
410	M	67.2	Low	74.8	Confident	89 Å²	89	61.1 Å²	61.1	44%	0.438	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-13.4	-173.9	-68.8	-64.5	-137.1	0	0	112.6	V408 H412 F416	V408-M410 PolarHBondContact O-N 3.27Å; M410-H412 PolarHBondContact O-N 2.9Å; M410-F416 HydrophobicContact CE-CD1 4.48Å; M410-F416 HydrophobicContact SD-CD1 3.85Å; M410-F416 HydrophobicContact SD-CE1 3.41Å; M410-F416 WeakPolarHBondContact SD-CE1 3.44Å; M410-F416 HydrophobicContact SD-CE2 4.17Å; M410-F416 HydrophobicContact SD-CG 4.39Å; M410-F416 HydrophobicContact SD-CZ 3.59Å; M410-F416 VanDerWaalsContact SD-CZ 3.59Å
411	D	69.1	Low	75.2	Confident	101 Å²	101	57.6 Å²	57.6	54%	0.54	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-9.9	176.3	-66	-20	0	0	0	112.4	A242 D409	A242-D411 WeakPolarHBondContact CB-OD1 3.28Å; D409-D411 PolarHBondContact O-N 3.03Å; D409-D411 PolarHBondContact OD1-N 3.19Å
412	H	79	Confident	76.1	Confident	32 Å²	32	60.9 Å²	60.9	15%	0.148	36%	0.356	C	S	.	.	S	Bend	trans	-70	147.5	173.3	-71.6	96.5	0	0	0	111.8	F344 D409 M410 Y414	F344-H412 AromaticContact CD1-CD2 3.26Å; F344-H412 WeakPolarHBondContact CD1-CD2 3.45Å; F344-H412 AromaticContact CD1-NE2 3.79Å; F344-H412 HydrophobicContact CE1-CB 4.09Å; F344-H412 AromaticContact CE1-CD2 3.25Å; F344-H412 WeakPolarHBondContact CE1-CD2 3.24Å; F344-H412 AromaticContact CE1-CG 3.89Å; F344-H412 HydrophobicContact CZ-CB 4.48Å; D409-H412 WeakPolarHBondContact CB-ND1 3.06Å; D409-H412 WeakPolarHBondContact O-CB 3.36Å; D409-H412 PolarHBondContact O-N 3.06Å; D409-H412 PolarHBondContact O-ND1 3.06Å; M410-H412 PolarHBondContact O-N 2.9Å; H412-Y414 HydrophobicContact CB-CD2 3.5Å; H412-Y414 HydrophobicContact CB-CE2 3.53Å; H412-Y414 HydrophobicContact CB-CG 4.48Å; H412-Y414 PolarHBondContact O-N 3.39Å
413	P	85.1	Confident	77	Confident	19 Å²	19	62.6 Å²	62.6	12%	0.123	36%	0.362	C	S	.	.	S	Bend	trans	-76.8	50.7	-177	35.8	-40.8	0	0	0	112.3	L317 S318 L343 F344	L317-P413 CarbonylContact C-O 3.54Å; L317-P413 VanDerWaalsContact CA-O 3.28Å; L317-P413 WeakPolarHBondContact CA-O 3.15Å; L317-P413 HydrophobicContact CD2-CG 4.44Å; L317-P413 WeakPolarHBondContact CD2-O 3.33Å; S318-P413 PolarHBondContact N-O 2.93Å; L343-P413 HydrophobicContact CB-CG 4.14Å; L343-P413 HydrophobicContact CD1-CB 4.23Å; L343-P413 HydrophobicContact CD1-CG 3.85Å; F344-P413 HydrophobicContact CE2-CG 3.63Å; F344-P413 HydrophobicContact CZ-CG 3.75Å
414	Y	89	Confident	78.3	Confident	6 Å²	6	61.2 Å²	61.2	2%	0.024	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-91.1	152.7	172.1	-64.5	-61.4	0	0	0	110.7	L312 R315 T316 L317 F344 I391 V408 H412 F416	L312-Y414 HydrophobicContact CD2-CE1 4.15Å; R315-Y414 HydrophobicContact CB-CD1 3.94Å; R315-Y414 HydrophobicContact CB-CE1 3.79Å; R315-Y414 HydrophobicContact CG-CE1 4.38Å; T316-Y414 WeakPolarHBondContact O-CA 3.46Å; L317-Y414 HydrophobicContact CD2-CD1 3.77Å; L317-Y414 HydrophobicContact CD2-CE1 3.82Å; F344-Y414 HydrophobicContact CE1-CE1 4.33Å; F344-Y414 HydrophobicContact CE1-CE2 4.08Å; F344-Y414 AromaticContact CE1-CZ 3.7Å; F344-Y414 WeakPolarHBondContact CE1-OH 3.38Å; F344-Y414 HydrophobicContact CZ-CE1 4.2Å; I391-Y414 HydrophobicContact CD1-CD2 4.16Å; I391-Y414 HydrophobicContact CD1-CE2 4.5Å; I391-Y414 HydrophobicContact CD1-CG 4.31Å; I391-Y414 HydrophobicContact CG1-CG 4.37Å; I391-Y414 HydrophobicContact CG2-CD1 4.38Å; I391-Y414 HydrophobicContact CG2-CG 4.37Å; V408-Y414 HydrophobicContact CG1-CD2 4.35Å; V408-Y414 HydrophobicContact CG1-CE2 4.45Å; H412-Y414 HydrophobicContact CB-CD2 3.5Å; H412-Y414 HydrophobicContact CB-CE2 3.53Å; H412-Y414 HydrophobicContact CB-CG 4.48Å; H412-Y414 PolarHBondContact O-N 3.39Å; Y414-F416 HydrophobicContact CD2-CZ 4.23Å; Y414-F416 VanDerWaalsContact O-CD2 3.24Å; Y414-F416 WeakPolarHBondContact O-CD2 3.48Å; Y414-F416 WeakPolarHBondContact O-CE2 3.43Å
415	V	88.7	Confident	80.1	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.012	31%	0.308	C	S	.	.			trans	-85.2	119.5	169.8	-178.1	0	0	0	0	109	T316 V392 D487 E491 A492	T316-V415 HydrophobicContact CG2-CB 4.47Å; T316-V415 HydrophobicContact CG2-CG2 4.03Å; T316-V415 PolarHBondContact O-N 2.92Å; V392-V415 HydrophobicContact CB-CG1 4.4Å; V392-V415 HydrophobicContact CG2-CG1 4.08Å; V392-V415 PolarHBondContact N-O 3.11Å; V415-D487 HydrophobicContact CG1-CB 4.14Å; V415-E491 HydrophobicContact CG2-CB 4.22Å; V415-A492 HydrophobicContact CG2-CB 4.38Å
416	F	87.8	Confident	81.8	Confident	53 Å²	53	50.4 Å²	50.4	23%	0.232	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-105.1	151.5	-178.4	-61.9	-80.8	0	0	0	112.2	G389 I391 V408 M410 Y414 D418	G389-F416 WeakPolarHBondContact O-CD1 3.5Å; I391-F416 HydrophobicContact CD1-CE1 4.45Å; I391-F416 HydrophobicContact CG1-CD1 3.89Å; I391-F416 HydrophobicContact CG1-CE1 3.58Å; I391-F416 HydrophobicContact CG1-CZ 4.49Å; V408-F416 HydrophobicContact CG1-CE1 4.25Å; V408-F416 HydrophobicContact CG1-CZ 4.46Å; M410-F416 HydrophobicContact CE-CD1 4.48Å; M410-F416 HydrophobicContact SD-CD1 3.85Å; M410-F416 HydrophobicContact SD-CE1 3.41Å; M410-F416 WeakPolarHBondContact SD-CE1 3.44Å; M410-F416 HydrophobicContact SD-CE2 4.17Å; M410-F416 HydrophobicContact SD-CG 4.39Å; M410-F416 HydrophobicContact SD-CZ 3.59Å; M410-F416 VanDerWaalsContact SD-CZ 3.59Å; Y414-F416 HydrophobicContact CD2-CZ 4.23Å; Y414-F416 VanDerWaalsContact O-CD2 3.24Å; Y414-F416 WeakPolarHBondContact O-CD2 3.48Å; Y414-F416 WeakPolarHBondContact O-CE2 3.43Å; F416-D418 PolarHBondContact O-N 3.38Å
417	S	88.1	Confident	83.3	Confident	7 Å²	7	47.8 Å²	47.8	5%	0.049	25%	0.253	C	S	.	.			trans	-71.4	116.1	171.7	-171.9	0	0	0	0	110.9	L386 K388 G389 V390 M419	L386-S417 WeakPolarHBondContact CB-OG 3.04Å; K388-S417 WeakPolarHBondContact CA-O 3.48Å; G389-S417 PolarHBondContact N-O 3.38Å; V390-S417 PolarHBondContact O-N 2.93Å; S417-M419 VanDerWaalsContact C-N 3.35Å; S417-M419 PolarHBondContact O-N 2.97Å; S417-M419 PolarHBondContact OG-O 3.45Å; S417-M419 VanDerWaalsContact OG-O 3.08Å
418	D	83.4	Confident	84.8	Confident	56 Å²	56	41.9 Å²	41.9	30%	0.299	22%	0.215	S	C	.	.	S	Bend	trans	-60.7	-38.4	-177.7	-179.7	40.7	0	0	0	113.5	K388 F416 K488	K388-D418 WeakPolarHBondContact CD-O 3.39Å; K388-D418 WeakPolarHBondContact CE-O 3.49Å; K388-D418 WeakPolarHBondContact CG-O 3.27Å; F416-D418 PolarHBondContact O-N 3.38Å; D418-K488 HydrophobicContact CB-CD 4.39Å; D418-K488 IonicContact OD2-NZ 2.86Å; D418-K488 PolarHBondContact OD2-NZ 2.86Å
419	M	87.3	Confident	86.1	Confident	30 Å²	30	39.1 Å²	39.1	15%	0.148	20%	0.198	C	C	.	.	S	Bend	trans	-141.7	160.1	-180	68.8	-177.4	76.2	0	0	113.3	W145 S417 S421 L425 I429 D578	W145-M419 HydrophobicContact CH2-CE 4.45Å; W145-M419 HydrophobicContact CH2-CG 3.98Å; W145-M419 HydrophobicContact CH2-SD 3.78Å; W145-M419 HydrophobicContact CZ2-CG 4.01Å; W145-M419 HydrophobicContact CZ2-SD 4.37Å; S417-M419 VanDerWaalsContact C-N 3.35Å; S417-M419 PolarHBondContact O-N 2.97Å; S417-M419 PolarHBondContact OG-O 3.45Å; S417-M419 VanDerWaalsContact OG-O 3.08Å; M419-S421 PolarHBondContact O-N 2.8Å; M419-S421 PolarHBondContact O-OG 3.45Å; M419-L425 HydrophobicContact SD-CD2 4.17Å; M419-I429 HydrophobicContact SD-CD1 4.41Å; M419-D578 HydrophobicContact CE-CB 3.55Å; M419-D578 VanDerWaalsContact CE-CG 3.49Å; M419-D578 WeakPolarHBondContact CE-OD2 3.47Å; M419-D578 HydrophobicContact SD-CB 4.17Å
420	T	91.4	Very high	87.4	Confident	66 Å²	66	35.1 Å²	35.1	41%	0.405	18%	0.177	S	C	.	.			trans	-73.3	121.8	171.4	-62.8	0	0	0	0	109.2	L386 T387 K388 L425	L386-T420 WeakPolarHBondContact O-CA 3.42Å; T387-T420 HydrophobicContact CG2-CG2 4.25Å; K388-T420 PolarHBondContact N-OG1 2.92Å; T420-L425 WeakPolarHBondContact O-CD2 3.39Å
421	S	90	Very high	88.7	Confident	5 Å²	5	31 Å²	31	4%	0.035	16%	0.157	C	C	.	.			trans	-112.6	136.8	-173	-54.8	0	0	0	0	111.6	W145 Y385 L386 M419	W145-S421 WeakPolarHBondContact CZ2-OG 3.37Å; Y385-S421 WeakPolarHBondContact CB-O 3.46Å; Y385-S421 VanDerWaalsContact CD1-O 3.25Å; Y385-S421 WeakPolarHBondContact CD1-O 3.22Å; L386-S421 PolarHBondContact O-N 3.15Å; M419-S421 PolarHBondContact O-N 2.8Å; M419-S421 PolarHBondContact O-OG 3.45Å
422	Y	91.8	Very high	89.9	Confident	116 Å²	116	26.3 Å²	26.3	46%	0.455	13%	0.132	S	C	.	.			trans	-147.6	159.2	173.4	49.8	-87.4	0	0	0	109.1	T424 L425 L426	Y422-T424 VanDerWaalsContact C-N 3.29Å; Y422-T424 WeakPolarHBondContact CD2-OG1 3.48Å; Y422-T424 WeakPolarHBondContact CE2-OG1 3.23Å; Y422-T424 PolarHBondContact O-N 3.22Å; Y422-T424 VanDerWaalsContact O-N 3.15Å; Y422-L425 HydrophobicContact CD1-CB 4.33Å; Y422-L425 HydrophobicContact CD2-CB 3.93Å; Y422-L425 HydrophobicContact CE1-CB 4.05Å; Y422-L425 HydrophobicContact CE1-CD2 4.27Å; Y422-L425 HydrophobicContact CE2-CB 3.64Å; Y422-L425 HydrophobicContact CG-CB 4.27Å; Y422-L425 PolarHBondContact O-N 3.48Å; Y422-L425 VanDerWaalsContact O-N 3.15Å; Y422-L426 PolarHBondContact O-N 3.27Å
423	F	91.5	Very high	90.6	Very high	67 Å²	67	24.9 Å²	24.9	29%	0.294	13%	0.125	S	C	.	.	H	α-helix	trans	-50.2	-45.3	-171.6	-177.3	-101.9	0	0	0	113.7	E154 M158 Y385 L425 L426 V427	E154-F423 HydrophobicContact CB-CD2 4.3Å; E154-F423 HydrophobicContact CB-CE2 4.19Å; M158-F423 HydrophobicContact CB-CE2 4.19Å; M158-F423 HydrophobicContact CB-CZ 4.31Å; Y385-F423 WeakPolarHBondContact OH-CA 3.45Å; Y385-F423 WeakPolarHBondContact OH-CB 3.43Å; F423-L425 PolarHBondContact O-N 3.46Å; F423-L426 PolarHBondContact O-N 3.34Å; F423-V427 HydrophobicContact CD1-CG2 4.17Å; F423-V427 HydrophobicContact CE1-CG2 3.77Å; F423-V427 HydrophobicContact CZ-CG2 3.98Å; F423-V427 WeakPolarHBondContact O-CG2 3.36Å; F423-V427 PolarHBondContact O-N 3.18Å; F423-V427 VanDerWaalsContact O-N 3.07Å
424	T	90.9	Very high	91.1	Very high	46 Å²	46	24.2 Å²	24.2	28%	0.282	12%	0.121	S	C	.	.	H	α-helix	trans	-72.2	-30.3	-173.5	70.4	0	0	0	0	113.3	Y422 G428 I635	Y422-T424 VanDerWaalsContact C-N 3.29Å; Y422-T424 WeakPolarHBondContact CD2-OG1 3.48Å; Y422-T424 WeakPolarHBondContact CE2-OG1 3.23Å; Y422-T424 PolarHBondContact O-N 3.22Å; Y422-T424 VanDerWaalsContact O-N 3.15Å; T424-G428 PolarHBondContact O-N 3.39Å; T424-I635 WeakPolarHBondContact CB-O 3.37Å; T424-I635 HydrophobicContact CG2-CG2 3.47Å; T424-I635 VanDerWaalsContact CG2-CG2 3.47Å
425	L	90.4	Very high	91.3	Very high	32 Å²	32	24.1 Å²	24.1	17%	0.168	12%	0.121	C	C	.	.	H	α-helix	trans	-64.6	-45.1	170.7	-177.9	67.7	0	0	0	110.6	M419 T420 Y422 F423 V427 G428 I429	M419-L425 HydrophobicContact SD-CD2 4.17Å; T420-L425 WeakPolarHBondContact O-CD2 3.39Å; Y422-L425 HydrophobicContact CD1-CB 4.33Å; Y422-L425 HydrophobicContact CD2-CB 3.93Å; Y422-L425 HydrophobicContact CE1-CB 4.05Å; Y422-L425 HydrophobicContact CE1-CD2 4.27Å; Y422-L425 HydrophobicContact CE2-CB 3.64Å; Y422-L425 HydrophobicContact CG-CB 4.27Å; Y422-L425 PolarHBondContact O-N 3.48Å; Y422-L425 VanDerWaalsContact O-N 3.15Å; F423-L425 PolarHBondContact O-N 3.46Å; L425-V427 VanDerWaalsContact C-N 3.3Å; L425-V427 PolarHBondContact O-N 3.4Å; L425-G428 PolarHBondContact O-N 2.7Å; L425-I429 HydrophobicContact CD1-CD1 4.37Å; L425-I429 HydrophobicContact CD2-CD1 4.39Å; L425-I429 HydrophobicContact CG-CD1 3.9Å; L425-I429 WeakPolarHBondContact O-CG1 3.21Å; L425-I429 PolarHBondContact O-N 3.17Å
426	L	93.2	Very high	91.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.6	-37.4	179.6	-62.9	-179.8	0	0	0	111.9	W145 V146 I149 A150 M158 Y385 Y422 F423 G428 I429 Y430	W145-L426 HydrophobicContact CE3-CD2 4.26Å; W145-L426 HydrophobicContact CH2-CD2 3.84Å; W145-L426 HydrophobicContact CZ3-CD2 3.56Å; V146-L426 HydrophobicContact CG2-CD2 4.42Å; I149-L426 HydrophobicContact CB-CD1 4.32Å; I149-L426 HydrophobicContact CG2-CD1 3.98Å; A150-L426 HydrophobicContact CB-CD1 3.79Å; M158-L426 HydrophobicContact CE-CB 4.06Å; M158-L426 VanDerWaalsContact SD-C 3.53Å; M158-L426 HydrophobicContact SD-CB 3.94Å; Y385-L426 HydrophobicContact CE1-CD1 3.87Å; Y422-L426 PolarHBondContact O-N 3.27Å; F423-L426 PolarHBondContact O-N 3.34Å; L426-G428 VanDerWaalsContact C-N 3.31Å; L426-G428 PolarHBondContact O-N 3.44Å; L426-I429 PolarHBondContact O-N 3.2Å; L426-Y430 VanDerWaalsContact O-CB 3.22Å; L426-Y430 WeakPolarHBondContact O-CB 3.22Å; L426-Y430 PolarHBondContact O-N 3.22Å
427	V	92.9	Very high	91.7	Very high	8 Å²	8	22 Å²	22	5%	0.048	12%	0.115	C	C	.	.	H	α-helix	trans	-58.9	-44.5	172.9	173	0	0	0	0	110.8	M158 F423 L425 Y430 F431 L632	M158-V427 HydrophobicContact CG-CG2 3.99Å; M158-V427 HydrophobicContact SD-CB 4.39Å; M158-V427 HydrophobicContact SD-CG2 3.86Å; F423-V427 HydrophobicContact CD1-CG2 4.17Å; F423-V427 HydrophobicContact CE1-CG2 3.77Å; F423-V427 HydrophobicContact CZ-CG2 3.98Å; F423-V427 WeakPolarHBondContact O-CG2 3.36Å; F423-V427 PolarHBondContact O-N 3.18Å; F423-V427 VanDerWaalsContact O-N 3.07Å; L425-V427 VanDerWaalsContact C-N 3.3Å; L425-V427 PolarHBondContact O-N 3.4Å; V427-Y430 PolarHBondContact O-N 3.28Å; V427-F431 WeakPolarHBondContact O-CB 3.45Å; V427-F431 PolarHBondContact O-N 3.42Å; V427-L632 HydrophobicContact CG1-CD2 3.8Å
428	G	92.1	Very high	91.8	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.01	11%	0.113	C	C	.	.	H	α-helix	trans	-64.9	-36.6	177.7	0	0	0	0	0	114	T424 L425 L426 P432 S585	T424-G428 PolarHBondContact O-N 3.39Å; L425-G428 PolarHBondContact O-N 2.7Å; L426-G428 VanDerWaalsContact C-N 3.31Å; L426-G428 PolarHBondContact O-N 3.44Å; G428-P432 WeakPolarHBondContact O-CD 3.37Å; G428-S585 PolarHBondContact O-OG 2.99Å
429	I	93.1	Very high	91.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-74.6	-35.6	176.7	-65.6	170.2	0	0	0	111.5	W145 M419 L425 L426 P432 D578	W145-I429 HydrophobicContact CH2-CD1 4.38Å; W145-I429 HydrophobicContact CZ3-CD1 3.99Å; M419-I429 HydrophobicContact SD-CD1 4.41Å; L425-I429 HydrophobicContact CD1-CD1 4.37Å; L425-I429 HydrophobicContact CD2-CD1 4.39Å; L425-I429 HydrophobicContact CG-CD1 3.9Å; L425-I429 WeakPolarHBondContact O-CG1 3.21Å; L425-I429 PolarHBondContact O-N 3.17Å; L426-I429 PolarHBondContact O-N 3.2Å; I429-P432 VanDerWaalsContact O-CD 3.27Å; I429-P432 WeakPolarHBondContact O-CD 3.34Å; I429-D578 HydrophobicContact CD1-CB 4Å; I429-D578 HydrophobicContact CG1-CB 4.41Å
430	Y	94.4	Very high	91.7	Very high	2 Å²	2	18 Å²	18	1%	0.008	9%	0.094	C	C	.	.	H	α-helix	trans	-79.4	-38.3	-177.8	177.9	-98.9	0	0	0	112.9	I138 L143 M158 V159 C162 L426 V427 P432 S433 V434 Y469	I138-Y430 HydrophobicContact CG2-CD2 4.35Å; L143-Y430 HydrophobicContact CD1-CD2 4.29Å; L143-Y430 HydrophobicContact CD1-CE2 3.93Å; M158-Y430 HydrophobicContact CG-CD1 4.07Å; M158-Y430 HydrophobicContact CG-CG 4.38Å; M158-Y430 HydrophobicContact SD-CG 4.41Å; V159-Y430 HydrophobicContact CB-CE1 4.24Å; V159-Y430 HydrophobicContact CG1-CE1 4.5Å; V159-Y430 WeakPolarHBondContact CG1-OH 3.44Å; V159-Y430 HydrophobicContact CG2-CE1 3.85Å; V159-Y430 HydrophobicContact CG2-CE2 3.91Å; V159-Y430 VanDerWaalsContact CG2-CZ 3.46Å; V159-Y430 WeakPolarHBondContact CG2-OH 3.2Å; C162-Y430 HydrophobicContact CB-CD1 4.19Å; C162-Y430 HydrophobicContact CB-CE1 3.96Å; L426-Y430 VanDerWaalsContact O-CB 3.22Å; L426-Y430 WeakPolarHBondContact O-CB 3.22Å; L426-Y430 PolarHBondContact O-N 3.22Å; V427-Y430 PolarHBondContact O-N 3.28Å; Y430-P432 VanDerWaalsContact C-N 3.32Å; Y430-P432 WeakPolarHBondContact O-CD 3.24Å; Y430-P432 VanDerWaalsContact O-N 3.12Å; Y430-S433 VanDerWaalsContact CE2-OG 3.22Å; Y430-S433 WeakPolarHBondContact CE2-OG 3.41Å; Y430-S433 VanDerWaalsContact O-CB 3.23Å; Y430-S433 WeakPolarHBondContact O-CB 3.45Å; Y430-S433 PolarHBondContact O-N 2.98Å; Y430-S433 PolarHBondContact O-OG 3.37Å; Y430-V434 HydrophobicContact CE1-CG1 4.13Å; Y430-Y469 WeakPolarHBondContact OH-CD2 3.47Å
431	F	94.3	Very high	91.5	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.009	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-50.7	-35.9	-173.8	-172.8	-94.5	0	0	0	116.1	C162 V427 S433 V434 T435 F588 L589 Y592 L632	C162-F431 HydrophobicContact CB-CD2 4.29Å; V427-F431 WeakPolarHBondContact O-CB 3.45Å; V427-F431 PolarHBondContact O-N 3.42Å; F431-S433 PolarHBondContact O-N 3.37Å; F431-V434 HydrophobicContact CD2-CG2 3.99Å; F431-V434 HydrophobicContact CE2-CG2 4.05Å; F431-V434 HydrophobicContact CG-CG2 4.47Å; F431-V434 WeakPolarHBondContact O-CG2 3.44Å; F431-V434 PolarHBondContact O-N 3.42Å; F431-V434 VanDerWaalsContact O-N 3.08Å; F431-T435 HydrophobicContact CD1-CG2 3.99Å; F431-T435 HydrophobicContact CE1-CG2 3.78Å; F431-F588 HydrophobicContact CE1-CB 4Å; F431-L589 HydrophobicContact CD1-CG 4.2Å; F431-L589 HydrophobicContact CD2-CD2 4.25Å; F431-L589 HydrophobicContact CE1-CD1 4.48Å; F431-L589 HydrophobicContact CE1-CD2 3.93Å; F431-L589 HydrophobicContact CE1-CG 3.65Å; F431-L589 HydrophobicContact CE2-CD2 3.49Å; F431-L589 VanDerWaalsContact CE2-CD2 3.49Å; F431-L589 HydrophobicContact CE2-CG 4.08Å; F431-L589 HydrophobicContact CZ-CD2 3.29Å; F431-L589 HydrophobicContact CZ-CG 3.58Å; F431-Y592 HydrophobicContact CE1-CE2 4.38Å; F431-Y592 HydrophobicContact CZ-CD2 4.07Å; F431-Y592 HydrophobicContact CZ-CE2 4.01Å; F431-L632 HydrophobicContact CD2-CD1 4.45Å; F431-L632 HydrophobicContact CE2-CD1 4.25Å
432	P	93.9	Very high	91.3	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.013	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-54.2	-27.7	175	-24.1	34.3	0	0	0	113.6	I138 M217 G428 I429 Y430 V434 T435 A581 L584 S585	I138-P432 HydrophobicContact CG1-CB 4.43Å; M217-P432 HydrophobicContact CE-CB 3.89Å; M217-P432 HydrophobicContact SD-CB 3.84Å; M217-P432 HydrophobicContact SD-CG 4.11Å; G428-P432 WeakPolarHBondContact O-CD 3.37Å; I429-P432 VanDerWaalsContact O-CD 3.27Å; I429-P432 WeakPolarHBondContact O-CD 3.34Å; Y430-P432 VanDerWaalsContact C-N 3.32Å; Y430-P432 WeakPolarHBondContact O-CD 3.24Å; Y430-P432 VanDerWaalsContact O-N 3.12Å; P432-V434 VanDerWaalsContact C-N 3.27Å; P432-V434 PolarHBondContact O-N 3.04Å; P432-T435 PolarHBondContact O-N 3.26Å; P432-T435 PolarHBondContact O-OG1 3.09Å; P432-A581 HydrophobicContact CG-CB 3.93Å; P432-L584 HydrophobicContact CB-CD2 3.75Å; P432-L584 HydrophobicContact CG-CD2 3.83Å; P432-S585 WeakPolarHBondContact CD-OG 3.32Å
433	S	93.5	Very high	90.9	Very high	3 Å²	3	10 Å²	10	2%	0.021	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-66.4	-21.6	179.3	69.5	0	0	0	0	115.1	I134 Y430 F431 Y469	I134-S433 VanDerWaalsContact CG2-O 3.31Å; I134-S433 WeakPolarHBondContact CG2-O 3.27Å; I134-S433 VanDerWaalsContact O-O 3.07Å; Y430-S433 VanDerWaalsContact CE2-OG 3.22Å; Y430-S433 WeakPolarHBondContact CE2-OG 3.41Å; Y430-S433 VanDerWaalsContact O-CB 3.23Å; Y430-S433 WeakPolarHBondContact O-CB 3.45Å; Y430-S433 PolarHBondContact O-N 2.98Å; Y430-S433 PolarHBondContact O-OG 3.37Å; F431-S433 PolarHBondContact O-N 3.37Å; S433-Y469 VanDerWaalsContact O-CE2 3.27Å; S433-Y469 WeakPolarHBondContact O-CE2 3.35Å; S433-Y469 PolarHBondContact O-OH 3.44Å
434	V	94.8	Very high	90.5	Very high	5 Å²	5	7.1 Å²	7.1	3%	0.03	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-102.7	0.5	177.8	-60	0	0	0	0	112.2	C162 T166 Y430 F431 P432 Y469	C162-V434 HydrophobicContact CB-CG1 4.23Å; C162-V434 HydrophobicContact CB-CG2 3.9Å; T166-V434 HydrophobicContact CG2-CB 3.91Å; T166-V434 HydrophobicContact CG2-CG2 3.65Å; T166-V434 WeakPolarHBondContact CG2-O 3.26Å; Y430-V434 HydrophobicContact CE1-CG1 4.13Å; F431-V434 HydrophobicContact CD2-CG2 3.99Å; F431-V434 HydrophobicContact CE2-CG2 4.05Å; F431-V434 HydrophobicContact CG-CG2 4.47Å; F431-V434 WeakPolarHBondContact O-CG2 3.44Å; F431-V434 PolarHBondContact O-N 3.42Å; F431-V434 VanDerWaalsContact O-N 3.08Å; P432-V434 VanDerWaalsContact C-N 3.27Å; P432-V434 PolarHBondContact O-N 3.04Å; V434-Y469 HydrophobicContact CG1-CD2 4.42Å; V434-Y469 HydrophobicContact CG1-CE2 4.32Å
435	T	93.8	Very high	89.9	Confident	4 Å²	4	6.5 Å²	6.5	3%	0.025	5%	0.047	C	C	.	.			trans	-76.3	174.6	177	69.7	0	0	0	0	111.7	I134 F431 P432 L584 F588	I134-T435 WeakPolarHBondContact CA-O 3.43Å; I134-T435 WeakPolarHBondContact CG1-O 3.35Å; F431-T435 HydrophobicContact CD1-CG2 3.99Å; F431-T435 HydrophobicContact CE1-CG2 3.78Å; P432-T435 PolarHBondContact O-N 3.26Å; P432-T435 PolarHBondContact O-OG1 3.09Å; T435-L584 HydrophobicContact CG2-CD2 4.38Å; T435-F588 HydrophobicContact CG2-CB 3.94Å; T435-F588 HydrophobicContact CG2-CD1 4.23Å; T435-F588 HydrophobicContact CG2-CD2 4Å; T435-F588 HydrophobicContact CG2-CG 3.8Å
436	G	90.1	Very high	89.6	Confident	11 Å²	11	7.7 Å²	7.7	11%	0.113	5%	0.054	C	C	.	.			trans	93.6	5.7	178.9	0	0	0	0	0	115.4	M438 A439	G436-M438 PolarHBondContact O-N 2.87Å; G436-M438 VanDerWaalsContact O-N 3.16Å; G436-A439 VanDerWaalsContact O-CB 3.23Å; G436-A439 WeakPolarHBondContact O-CB 3.44Å; G436-A439 PolarHBondContact O-N 2.96Å
437	I	94	Very high	89.2	Confident	0 Å²	0	8.1 Å²	8.1	0%	0	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-59.9	-27.1	178.8	66.4	174.6	0	0	0	113.5	I134 T169 M173 A439 G440 T458 I462 Y592	I134-I437 HydrophobicContact CD1-CG2 4.43Å; T169-I437 HydrophobicContact CG2-CD1 3.93Å; M173-I437 HydrophobicContact CE-CB 4.38Å; M173-I437 HydrophobicContact CE-CD1 4.19Å; M173-I437 HydrophobicContact CE-CG1 3.92Å; I437-A439 PolarHBondContact O-N 3.04Å; I437-G440 PolarHBondContact O-N 3.31Å; I437-T458 HydrophobicContact CB-CG2 4.46Å; I437-I462 HydrophobicContact CB-CD1 4.17Å; I437-I462 HydrophobicContact CG2-CD1 3.59Å; I437-I462 HydrophobicContact CG2-CG1 3.8Å; I437-Y592 HydrophobicContact CD1-CD1 4.47Å; I437-Y592 HydrophobicContact CD1-CE1 3.99Å; I437-Y592 HydrophobicContact CG1-CE1 4.01Å
438	M	90.4	Very high	88.8	Confident	3 Å²	3	17.3 Å²	17.3	2%	0.015	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-71.1	-12.5	178.2	-64.9	-170.5	177.3	0	0	113.2	M173 I191 F207 G436 G440 S441 N442 C591 Y592 V595	M173-M438 HydrophobicContact CE-CB 4.47Å; M173-M438 HydrophobicContact CE-CG 3.94Å; I191-M438 HydrophobicContact CD1-CE 4.38Å; F207-M438 HydrophobicContact CD1-SD 4.08Å; F207-M438 HydrophobicContact CD2-SD 3.96Å; F207-M438 HydrophobicContact CE1-CB 4.4Å; F207-M438 HydrophobicContact CE1-SD 4.15Å; F207-M438 HydrophobicContact CE2-CB 4.27Å; F207-M438 HydrophobicContact CE2-SD 4.02Å; F207-M438 HydrophobicContact CG-SD 4.02Å; F207-M438 HydrophobicContact CZ-CB 3.9Å; F207-M438 HydrophobicContact CZ-SD 4.13Å; G436-M438 PolarHBondContact O-N 2.87Å; G436-M438 VanDerWaalsContact O-N 3.16Å; M438-G440 PolarHBondContact O-N 3.34Å; M438-S441 PolarHBondContact O-N 3Å; M438-S441 PolarHBondContact O-OG 3.19Å; M438-S441 VanDerWaalsContact O-OG 3.11Å; M438-N442 PolarHBondContact O-N 2.96Å; M438-N442 PolarHBondContact O-OD1 3.34Å; M438-C591 WeakPolarHBondContact CE-SG 3.16Å; M438-Y592 HydrophobicContact CE-CD1 4.08Å; M438-Y592 HydrophobicContact CE-CE1 4.02Å; M438-V595 HydrophobicContact CE-CG2 4.05Å
439	A	86.4	Confident	88.5	Confident	6 Å²	6	20.6 Å²	20.6	5%	0.05	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-62.8	-24.7	175.8	0	0	0	0	0	113.3	N133 G436 I437 S441 N442	N133-A439 HydrophobicContact CB-CB 3.65Å; N133-A439 VanDerWaalsContact CG-CB 3.46Å; N133-A439 WeakPolarHBondContact ND2-CB 3.09Å; G436-A439 VanDerWaalsContact O-CB 3.23Å; G436-A439 WeakPolarHBondContact O-CB 3.44Å; G436-A439 PolarHBondContact O-N 2.96Å; I437-A439 PolarHBondContact O-N 3.04Å; A439-S441 VanDerWaalsContact C-N 3.32Å; A439-S441 PolarHBondContact O-N 3.41Å; A439-N442 PolarHBondContact O-N 2.87Å
440	G	81.9	Confident	88.4	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-65.4	-31.1	176.3	0	0	0	0	0	114	I437 M438	I437-G440 PolarHBondContact O-N 3.31Å; M438-G440 PolarHBondContact O-N 3.34Å
441	S	88.1	Confident	88.1	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-7.6	179.3	55.1	0	0	0	0	113.5	G186 S187 M438 A439 R443 S444	G186-S441 CarbonylContact C-O 3.57Å; G186-S441 WeakPolarHBondContact CA-O 3.47Å; S187-S441 VanDerWaalsContact CB-OG 3.3Å; S187-S441 WeakPolarHBondContact CB-OG 3.27Å; M438-S441 PolarHBondContact O-N 3Å; M438-S441 PolarHBondContact O-OG 3.19Å; M438-S441 VanDerWaalsContact O-OG 3.11Å; A439-S441 VanDerWaalsContact C-N 3.32Å; A439-S441 PolarHBondContact O-N 3.41Å; S441-R443 PolarHBondContact O-N 3.3Å; S441-R443 VanDerWaalsContact O-N 3.08Å; S441-S444 PolarHBondContact O-N 3.03Å
442	N	86.5	Confident	88	Confident	17 Å²	17	30.4 Å²	30.4	9%	0.091	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-8.5	-178.5	-80.2	-9.3	0	0	0	114.5	P95 Q96 S187 M438 A439	P95-N442 HydrophobicContact CB-CB 3.89Å; Q96-N442 WeakPolarHBondContact CB-O 3.34Å; Q96-N442 VanDerWaalsContact CG-O 3.31Å; Q96-N442 WeakPolarHBondContact CG-O 3.3Å; Q96-N442 PolarHBondContact N-O 3.11Å; S187-N442 VanDerWaalsContact CB-OD1 3.31Å; S187-N442 WeakPolarHBondContact CB-OD1 3.26Å; S187-N442 PolarHBondContact OG-OD1 3.5Å; M438-N442 PolarHBondContact O-N 2.96Å; M438-N442 PolarHBondContact O-OD1 3.34Å; A439-N442 PolarHBondContact O-N 2.87Å
443	R	82.5	Confident	88	Confident	1 Å²	1	30.7 Å²	30.7	0%	0.004	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	29.7	175.2	-57.4	-172.3	-161.2	162	10.3	113.3	T92 N93 M124 P129 S441 G445 D446	T92-R443 PolarHBondContact O-NE 3.47Å; T92-R443 PolarHBondContact O-NH1 3.18Å; T92-R443 PolarHBondContact O-NH2 3.06Å; N93-R443 VanDerWaalsContact C-NH2 3.26Å; N93-R443 PolarHBondContact O-NH2 3.43Å; M124-R443 PolarHBondContact O-NH1 3.2Å; P129-R443 VanDerWaalsContact CB-NH2 3.33Å; P129-R443 VanDerWaalsContact CG-NH1 3.32Å; S441-R443 PolarHBondContact O-N 3.3Å; S441-R443 VanDerWaalsContact O-N 3.08Å; R443-G445 PolarHBondContact O-N 3.48Å; R443-G445 VanDerWaalsContact O-N 3.08Å; R443-D446 PolarHBondContact O-N 2.97Å; R443-D446 VanDerWaalsContact O-N 3.08Å
444	S	83.2	Confident	88	Confident	6 Å²	6	30.6 Å²	30.6	4%	0.042	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-52.2	-34.4	-173.5	56.7	0	0	0	0	114	P183 G186 S441	P183-S444 WeakPolarHBondContact O-CB 3.36Å; P183-S444 PolarHBondContact O-OG 3.38Å; G186-S444 PolarHBondContact N-OG 3.4Å; G186-S444 VanDerWaalsContact N-OG 3.12Å; S441-S444 PolarHBondContact O-N 3.03Å
445	G	79	Confident	88	Confident	33 Å²	33	30.6 Å²	30.6	34%	0.34	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-73.9	-22.4	-178.8	0	0	0	0	0	115.7	A184 R443	A184-G445 VanDerWaalsContact CB-CA 3.48Å; R443-G445 PolarHBondContact O-N 3.48Å; R443-G445 VanDerWaalsContact O-N 3.08Å
446	D	82.8	Confident	88	Confident	58 Å²	58	33.1 Å²	33.1	31%	0.31	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-95	-6.7	-176	-64.9	-25.9	0	0	0	113.1	Q96 R119 M120 R443	Q96-D446 PolarHBondContact NE2-OD1 3.49Å; Q96-D446 PolarHBondContact NE2-OD2 3.47Å; R119-D446 CarbonylContact C-O 3.58Å; R119-D446 WeakPolarHBondContact CA-O 3.33Å; M120-D446 PolarHBondContact N-O 2.98Å; R443-D446 PolarHBondContact O-N 2.97Å; R443-D446 VanDerWaalsContact O-N 3.08Å
447	L	86.1	Confident	88.2	Confident	9 Å²	9	32.6 Å²	32.6	5%	0.047	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-79.9	141.4	-176.5	-64.1	171.3	0	0	0	111.6	M120 V126 D449 A450 I454	M120-L447 HydrophobicContact CB-CD2 4.28Å; V126-L447 HydrophobicContact CG2-CD1 3.6Å; V126-L447 HydrophobicContact CG2-CD2 3.76Å; V126-L447 HydrophobicContact CG2-CG 4.35Å; L447-D449 VanDerWaalsContact C-N 3.34Å; L447-D449 PolarHBondContact O-N 3.13Å; L447-A450 HydrophobicContact CB-CB 4.19Å; L447-A450 HydrophobicContact CD1-CB 4.12Å; L447-I454 HydrophobicContact CD1-CD1 4.34Å; L447-I454 HydrophobicContact CD1-CG1 3.83Å
448	R	83.8	Confident	88.3	Confident	201 Å²	201	32.7 Å²	32.7	76%	0.758	17%	0.165	S	C	*	.	S	Bend	trans	-61.5	-43.2	173.8	-178.1	178.2	173.6	178	-0.6	112.4	R119 M120	R119-R448 HydrophobicContact CB-CB 4.02Å; M120-R448 PolarHBondContact O-N 2.85Å
449	D	87	Confident	88.6	Confident	69 Å²	69	34.7 Å²	34.7	37%	0.369	18%	0.175	S	C	.	.			trans	-142.6	94.1	177.1	177.5	-3.2	0	0	0	108.3	L447 Q451 K452 S453	L447-D449 VanDerWaalsContact C-N 3.34Å; L447-D449 PolarHBondContact O-N 3.13Å; D449-Q451 PolarHBondContact OD1-N 3.15Å; D449-K452 PolarHBondContact OD1-N 3.06Å; D449-K452 VanDerWaalsContact OD2-CB 3.29Å; D449-K452 WeakPolarHBondContact OD2-CB 3.05Å; D449-S453 WeakPolarHBondContact O-CB 3.5Å; D449-S453 PolarHBondContact O-N 3.1Å; D449-S453 PolarHBondContact O-OG 2.72Å
450	A	89	Confident	89	Confident	13 Å²	13	39.3 Å²	39.3	11%	0.107	20%	0.198	C	C	.	.	H	α-helix	trans	-66.8	-36.6	-177.3	0	0	0	0	0	112.5	V182 L447 K452 S453 I454	V182-A450 HydrophobicContact CB-CB 3.95Å; V182-A450 HydrophobicContact CG1-CB 4Å; V182-A450 HydrophobicContact CG2-CB 4.18Å; L447-A450 HydrophobicContact CB-CB 4.19Å; L447-A450 HydrophobicContact CD1-CB 4.12Å; A450-K452 VanDerWaalsContact C-N 3.32Å; A450-K452 PolarHBondContact O-N 3.24Å; A450-S453 PolarHBondContact O-N 3.18Å; A450-I454 HydrophobicContact CB-CD1 4.08Å; A450-I454 WeakPolarHBondContact O-CB 3.5Å; A450-I454 VanDerWaalsContact O-CG1 3.29Å; A450-I454 WeakPolarHBondContact O-CG1 3.42Å; A450-I454 PolarHBondContact O-N 3.09Å
451	Q	90.1	Very high	89.7	Confident	53 Å²	53	39.3 Å²	39.3	25%	0.248	20%	0.198	C	C	.	.	H	α-helix	trans	-63.3	-37.5	-177.5	-69.8	178.1	-7.2	0	0	112	G180 V182 D449 P455 R613	G180-Q451 PolarHBondContact O-NE2 3.35Å; V182-Q451 HydrophobicContact CG2-CG 3.73Å; D449-Q451 PolarHBondContact OD1-N 3.15Å; Q451-P455 WeakPolarHBondContact O-CD 3.23Å; Q451-P455 VanDerWaalsContact O-CG 3.29Å; Q451-P455 WeakPolarHBondContact O-CG 3.45Å; Q451-R613 VanDerWaalsContact CD-NH2 3.29Å; Q451-R613 VanDerWaalsContact NE2-NH2 3.2Å
452	K	91.2	Very high	90.1	Very high	145 Å²	145	39.4 Å²	39.4	63%	0.63	20%	0.199	S	C	*	.	H	α-helix	trans	-85.2	-39.7	175.3	-172.5	177.4	179.7	178.7	0	112.8	D449 A450 T456	D449-K452 PolarHBondContact OD1-N 3.06Å; D449-K452 VanDerWaalsContact OD2-CB 3.29Å; D449-K452 WeakPolarHBondContact OD2-CB 3.05Å; A450-K452 VanDerWaalsContact C-N 3.32Å; A450-K452 PolarHBondContact O-N 3.24Å; K452-T456 WeakPolarHBondContact O-CG2 3.24Å; K452-T456 PolarHBondContact O-N 2.99Å; K452-T456 PolarHBondContact O-OG1 3.09Å
453	S	93.2	Very high	90.5	Very high	7 Å²	7	40.8 Å²	40.8	5%	0.049	21%	0.213	C	C	.	.	H	α-helix	trans	-72.7	-38.9	-172.1	-58.6	0	0	0	0	113	T122 D449 A450 T456 G457	T122-S453 PolarHBondContact OG1-OG 2.78Å; D449-S453 WeakPolarHBondContact O-CB 3.5Å; D449-S453 PolarHBondContact O-N 3.1Å; D449-S453 PolarHBondContact O-OG 2.72Å; A450-S453 PolarHBondContact O-N 3.18Å; S453-T456 PolarHBondContact O-OG1 3.26Å; S453-G457 PolarHBondContact O-N 3.39Å
454	I	93.4	Very high	91.2	Very high	1 Å²	1	43 Å²	43	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-64	-52.3	-177.4	-66	168.7	0	0	0	111.4	V126 A177 V182 M190 L447 A450 T456 T458	V126-I454 HydrophobicContact CG2-CG1 4.41Å; A177-I454 HydrophobicContact CB-CB 4.18Å; A177-I454 HydrophobicContact CB-CD1 4.35Å; A177-I454 HydrophobicContact CB-CG2 3.91Å; V182-I454 HydrophobicContact CG1-CD1 4.13Å; M190-I454 HydrophobicContact SD-CD1 4.13Å; L447-I454 HydrophobicContact CD1-CD1 4.34Å; L447-I454 HydrophobicContact CD1-CG1 3.83Å; A450-I454 HydrophobicContact CB-CD1 4.08Å; A450-I454 WeakPolarHBondContact O-CB 3.5Å; A450-I454 VanDerWaalsContact O-CG1 3.29Å; A450-I454 WeakPolarHBondContact O-CG1 3.42Å; A450-I454 PolarHBondContact O-N 3.09Å; I454-T456 PolarHBondContact O-N 3.1Å; I454-T458 VanDerWaalsContact O-CB 3.25Å; I454-T458 WeakPolarHBondContact O-CB 3.42Å; I454-T458 PolarHBondContact O-N 3.03Å; I454-T458 PolarHBondContact O-OG1 3.23Å
455	P	94.8	Very high	91.8	Very high	5 Å²	5	42.9 Å²	42.9	3%	0.032	23%	0.226	C	C	.	.	H	α-helix	trans	-60.5	-48.3	178.7	-26.3	36.4	0	0	0	112.9	S174 T178 Q451 I459 F614	S174-P455 WeakPolarHBondContact OG-CA 3.45Å; S174-P455 WeakPolarHBondContact OG-CB 3.47Å; T178-P455 HydrophobicContact CG2-CG 4.19Å; Q451-P455 WeakPolarHBondContact O-CD 3.23Å; Q451-P455 VanDerWaalsContact O-CG 3.29Å; Q451-P455 WeakPolarHBondContact O-CG 3.45Å; P455-I459 WeakPolarHBondContact O-CB 3.45Å; P455-I459 VanDerWaalsContact O-CG1 3.29Å; P455-I459 WeakPolarHBondContact O-CG1 3.41Å; P455-I459 PolarHBondContact O-N 3.02Å; P455-I459 VanDerWaalsContact O-N 3.09Å; P455-F614 HydrophobicContact CB-CD2 4.37Å; P455-F614 HydrophobicContact CB-CE2 3.94Å
456	T	94.6	Very high	92.5	Very high	58 Å²	58	42.1 Å²	42.1	36%	0.356	22%	0.215	S	C	.	.	H	α-helix	trans	-66.7	-46	-175.9	51.8	0	0	0	0	111.9	T122 K452 S453 I454 L460	T122-T456 VanDerWaalsContact CG2-OG1 3.3Å; T122-T456 WeakPolarHBondContact CG2-OG1 3.43Å; K452-T456 WeakPolarHBondContact O-CG2 3.24Å; K452-T456 PolarHBondContact O-N 2.99Å; K452-T456 PolarHBondContact O-OG1 3.09Å; S453-T456 PolarHBondContact O-OG1 3.26Å; I454-T456 PolarHBondContact O-N 3.1Å; T456-L460 VanDerWaalsContact O-CB 3.31Å; T456-L460 WeakPolarHBondContact O-CB 3.03Å; T456-L460 WeakPolarHBondContact O-CD1 3.45Å; T456-L460 VanDerWaalsContact O-CG 3.24Å; T456-L460 WeakPolarHBondContact O-CG 3.3Å; T456-L460 PolarHBondContact O-N 2.99Å
457	G	94.9	Very high	93.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-67.6	-41.4	-179.8	0	0	0	0	0	113	S453 A461	S453-G457 PolarHBondContact O-N 3.39Å; G457-A461 VanDerWaalsContact O-CB 3.3Å; G457-A461 WeakPolarHBondContact O-CB 3.24Å; G457-A461 PolarHBondContact O-N 3.27Å
458	T	95.6	Very high	93.6	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-70.3	-46.5	-177.6	-50.8	0	0	0	0	111.5	A170 I437 I454 L460 A461 I462	A170-T458 HydrophobicContact CB-CG2 4.27Å; I437-T458 HydrophobicContact CB-CG2 4.46Å; I454-T458 VanDerWaalsContact O-CB 3.25Å; I454-T458 WeakPolarHBondContact O-CB 3.42Å; I454-T458 PolarHBondContact O-N 3.03Å; I454-T458 PolarHBondContact O-OG1 3.23Å; T458-L460 PolarHBondContact O-N 3.35Å; T458-A461 PolarHBondContact O-N 3.3Å; T458-I462 HydrophobicContact CG2-CD1 4.12Å; T458-I462 WeakPolarHBondContact O-CG1 3.39Å; T458-I462 PolarHBondContact O-N 3.45Å
459	I	96.1	Very high	94.2	Very high	45 Å²	45	33 Å²	33	23%	0.231	19%	0.19	C	C	.	.	H	α-helix	trans	-64	-42.7	179.6	-67.7	171.1	0	0	0	110.9	M167 P455 I462 A463 F614	M167-I459 HydrophobicContact CE-CG2 4.46Å; M167-I459 HydrophobicContact SD-CG2 4.09Å; P455-I459 WeakPolarHBondContact O-CB 3.45Å; P455-I459 VanDerWaalsContact O-CG1 3.29Å; P455-I459 WeakPolarHBondContact O-CG1 3.41Å; P455-I459 PolarHBondContact O-N 3.02Å; P455-I459 VanDerWaalsContact O-N 3.09Å; I459-I462 PolarHBondContact O-N 2.85Å; I459-A463 WeakPolarHBondContact O-CB 3.43Å; I459-A463 PolarHBondContact O-N 2.96Å; I459-F614 HydrophobicContact CD1-CZ 3.95Å
460	L	96.1	Very high	94.5	Very high	103 Å²	103	31.8 Å²	31.8	54%	0.539	18%	0.183	S	C	.	.	H	α-helix	trans	-65.1	-38.1	176.4	-74.1	174.5	0	0	0	112.5	Y127 T456 T458 A463 T464	Y127-L460 HydrophobicContact CD2-CB 4Å; Y127-L460 HydrophobicContact CE2-CB 4.12Å; T456-L460 VanDerWaalsContact O-CB 3.31Å; T456-L460 WeakPolarHBondContact O-CB 3.03Å; T456-L460 WeakPolarHBondContact O-CD1 3.45Å; T456-L460 VanDerWaalsContact O-CG 3.24Å; T456-L460 WeakPolarHBondContact O-CG 3.3Å; T456-L460 PolarHBondContact O-N 2.99Å; T458-L460 PolarHBondContact O-N 3.35Å; L460-A463 PolarHBondContact O-N 3.14Å; L460-T464 WeakPolarHBondContact O-CB 3.49Å; L460-T464 PolarHBondContact O-N 3.44Å; L460-T464 PolarHBondContact O-OG1 3.4Å
461	A	96	Very high	94.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63	-48.3	176.7	0	0	0	0	0	111	Y127 C130 G457 T458 A463 T464 T465	Y127-A461 HydrophobicContact CD2-CB 3.91Å; Y127-A461 HydrophobicContact CE2-CB 4.23Å; C130-A461 HydrophobicContact CB-CB 3.63Å; G457-A461 VanDerWaalsContact O-CB 3.3Å; G457-A461 WeakPolarHBondContact O-CB 3.24Å; G457-A461 PolarHBondContact O-N 3.27Å; T458-A461 PolarHBondContact O-N 3.3Å; A461-A463 PolarHBondContact O-N 3.06Å; A461-T464 WeakPolarHBondContact O-CB 3.24Å; A461-T464 PolarHBondContact O-N 2.77Å; A461-T465 WeakPolarHBondContact O-CG2 3.31Å; A461-T465 PolarHBondContact O-N 3.45Å; A461-T465 PolarHBondContact O-OG1 3.29Å
462	I	96.3	Very high	95	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-60.4	-46.4	176.7	-63.6	167.9	0	0	0	110.5	I134 M167 A170 I437 T458 I459 T464 T465 S466	I134-I462 HydrophobicContact CD1-CG1 4.22Å; M167-I462 HydrophobicContact CE-CB 4.07Å; M167-I462 HydrophobicContact CE-CG2 3.67Å; A170-I462 HydrophobicContact CB-CD1 3.37Å; I437-I462 HydrophobicContact CB-CD1 4.17Å; I437-I462 HydrophobicContact CG2-CD1 3.59Å; I437-I462 HydrophobicContact CG2-CG1 3.8Å; T458-I462 HydrophobicContact CG2-CD1 4.12Å; T458-I462 WeakPolarHBondContact O-CG1 3.39Å; T458-I462 PolarHBondContact O-N 3.45Å; I459-I462 PolarHBondContact O-N 2.85Å; I462-T464 VanDerWaalsContact C-N 3.29Å; I462-T464 PolarHBondContact O-N 2.88Å; I462-T465 WeakPolarHBondContact CA-OG1 3.3Å; I462-T465 PolarHBondContact O-N 3.04Å; I462-T465 PolarHBondContact O-OG1 3.02Å; I462-S466 VanDerWaalsContact O-CB 3.31Å; I462-S466 WeakPolarHBondContact O-CB 3.42Å; I462-S466 PolarHBondContact O-N 3.2Å; I462-S466 PolarHBondContact O-OG 2.83Å
463	A	96.2	Very high	95.2	Very high	46 Å²	46	23.7 Å²	23.7	38%	0.38	15%	0.149	S	C	.	.	H	α-helix	trans	-58.6	-41.2	177.6	0	0	0	0	0	112.2	I459 L460 A461 A467	I459-A463 WeakPolarHBondContact O-CB 3.43Å; I459-A463 PolarHBondContact O-N 2.96Å; L460-A463 PolarHBondContact O-N 3.14Å; A461-A463 PolarHBondContact O-N 3.06Å; A463-A467 WeakPolarHBondContact O-CB 3.34Å; A463-A467 PolarHBondContact O-N 3.47Å
464	T	95.6	Very high	95.3	Very high	48 Å²	48	25.8 Å²	25.8	29%	0.294	16%	0.162	S	C	.	.	H	α-helix	trans	-64	-49.7	176.5	-53.3	0	0	0	0	110.9	Y127 L131 L460 A461 I462 S466 A467 V468	Y127-T464 WeakPolarHBondContact OH-CG2 3.26Å; Y127-T464 PolarHBondContact OH-OG1 3.09Å; L131-T464 HydrophobicContact CD1-CG2 4.2Å; L460-T464 WeakPolarHBondContact O-CB 3.49Å; L460-T464 PolarHBondContact O-N 3.44Å; L460-T464 PolarHBondContact O-OG1 3.4Å; A461-T464 WeakPolarHBondContact O-CB 3.24Å; A461-T464 PolarHBondContact O-N 2.77Å; I462-T464 VanDerWaalsContact C-N 3.29Å; I462-T464 PolarHBondContact O-N 2.88Å; T464-S466 PolarHBondContact O-N 2.82Å; T464-A467 PolarHBondContact O-N 3.45Å; T464-V468 WeakPolarHBondContact O-CG2 2.91Å; T464-V468 PolarHBondContact O-N 3.41Å
465	T	95.3	Very high	95.4	Very high	4 Å²	4	27.9 Å²	27.9	3%	0.025	17%	0.173	C	C	.	.	H	α-helix	trans	-66.6	-39.8	-177.6	53.1	0	0	0	0	111.8	I134 F135 A461 I462 A467 V468 Y469	I134-T465 HydrophobicContact CB-CG2 3.9Å; I134-T465 HydrophobicContact CD1-CG2 4.1Å; I134-T465 HydrophobicContact CG2-CG2 3.61Å; F135-T465 HydrophobicContact CD1-CG2 4.44Å; F135-T465 HydrophobicContact CD2-CG2 4.48Å; F135-T465 HydrophobicContact CE1-CG2 3.97Å; F135-T465 HydrophobicContact CE2-CG2 4.04Å; F135-T465 HydrophobicContact CZ-CG2 3.75Å; A461-T465 WeakPolarHBondContact O-CG2 3.31Å; A461-T465 PolarHBondContact O-N 3.45Å; A461-T465 PolarHBondContact O-OG1 3.29Å; I462-T465 WeakPolarHBondContact CA-OG1 3.3Å; I462-T465 PolarHBondContact O-N 3.04Å; I462-T465 PolarHBondContact O-OG1 3.02Å; T465-A467 VanDerWaalsContact C-N 3.35Å; T465-A467 PolarHBondContact O-N 3.39Å; T465-V468 PolarHBondContact O-N 2.9Å; T465-Y469 VanDerWaalsContact O-CD2 3.24Å; T465-Y469 WeakPolarHBondContact O-CD2 3.26Å; T465-Y469 PolarHBondContact O-N 3.3Å
466	S	95.4	Very high	95.4	Very high	16 Å²	16	27.6 Å²	27.6	11%	0.112	17%	0.171	C	C	.	.	H	α-helix	trans	-62.3	-41.8	174.9	-62.4	0	0	0	0	111.6	C163 I462 T464 V468 Y469 I470	C163-S466 WeakPolarHBondContact CB-OG 3.46Å; C163-S466 PolarHBondContact SG-OG 3.18Å; I462-S466 VanDerWaalsContact O-CB 3.31Å; I462-S466 WeakPolarHBondContact O-CB 3.42Å; I462-S466 PolarHBondContact O-N 3.2Å; I462-S466 PolarHBondContact O-OG 2.83Å; T464-S466 PolarHBondContact O-N 2.82Å; S466-V468 VanDerWaalsContact C-N 3.35Å; S466-V468 PolarHBondContact O-N 2.8Å; S466-Y469 PolarHBondContact O-N 3.42Å; S466-I470 WeakPolarHBondContact O-CB 3.38Å; S466-I470 VanDerWaalsContact O-CG1 3.24Å; S466-I470 WeakPolarHBondContact O-CG1 3.49Å; S466-I470 PolarHBondContact O-N 3.36Å
467	A	95.9	Very high	95.4	Very high	58 Å²	58	24.9 Å²	24.9	48%	0.479	15%	0.154	S	C	.	.	H	α-helix	trans	-62.6	-41.3	175.4	0	0	0	0	0	111.9	A463 T464 T465 S471	A463-A467 WeakPolarHBondContact O-CB 3.34Å; A463-A467 PolarHBondContact O-N 3.47Å; T464-A467 PolarHBondContact O-N 3.45Å; T465-A467 VanDerWaalsContact C-N 3.35Å; T465-A467 PolarHBondContact O-N 3.39Å; A467-S471 VanDerWaalsContact O-CB 3.3Å; A467-S471 WeakPolarHBondContact O-CB 3.34Å; A467-S471 PolarHBondContact O-N 2.98Å; A467-S471 PolarHBondContact O-OG 3.11Å
468	V	95.4	Very high	95.3	Very high	18 Å²	18	25.5 Å²	25.5	11%	0.109	16%	0.16	C	C	.	.	H	α-helix	trans	-64.4	-45.1	176.1	172.9	0	0	0	0	111.4	F135 I290 T464 T465 S466 S471 S472	F135-V468 HydrophobicContact CE1-CB 4.15Å; F135-V468 HydrophobicContact CE1-CG1 3.92Å; F135-V468 HydrophobicContact CZ-CB 4.1Å; F135-V468 HydrophobicContact CZ-CG1 4.12Å; F135-V468 HydrophobicContact CZ-CG2 4.1Å; I290-V468 HydrophobicContact CG2-CG1 4.22Å; T464-V468 WeakPolarHBondContact O-CG2 2.91Å; T464-V468 PolarHBondContact O-N 3.41Å; T465-V468 PolarHBondContact O-N 2.9Å; S466-V468 VanDerWaalsContact C-N 3.35Å; S466-V468 PolarHBondContact O-N 2.8Å; V468-S471 PolarHBondContact O-OG 3.25Å; V468-S471 VanDerWaalsContact O-OG 3.07Å; V468-S472 VanDerWaalsContact O-CB 3.24Å; V468-S472 WeakPolarHBondContact O-CB 2.98Å; V468-S472 PolarHBondContact O-N 3.05Å; V468-S472 PolarHBondContact O-OG 2.81Å
469	Y	95.6	Very high	95.3	Very high	1 Å²	1	25.5 Å²	25.5	0%	0.004	16%	0.16	C	C	.	.	H	α-helix	trans	-66.1	-46.4	178.9	-66	-37.4	0	0	0	113	I134 F135 L139 Y430 S433 V434 T465 S466 S472 V473	I134-Y469 HydrophobicContact CG2-CE2 4.14Å; I134-Y469 PolarHBondContact O-OH 2.94Å; I134-Y469 VanDerWaalsContact O-OH 3.11Å; F135-Y469 HydrophobicContact CD1-CE1 4.13Å; F135-Y469 HydrophobicContact CE1-CE1 4.16Å; L139-Y469 HydrophobicContact CB-CE1 4.12Å; L139-Y469 HydrophobicContact CD1-CD1 3.96Å; L139-Y469 HydrophobicContact CD1-CE1 3.92Å; L139-Y469 HydrophobicContact CD2-CE1 4.29Å; L139-Y469 HydrophobicContact CG-CE1 4.33Å; Y430-Y469 WeakPolarHBondContact OH-CD2 3.47Å; S433-Y469 VanDerWaalsContact O-CE2 3.27Å; S433-Y469 WeakPolarHBondContact O-CE2 3.35Å; S433-Y469 PolarHBondContact O-OH 3.44Å; V434-Y469 HydrophobicContact CG1-CD2 4.42Å; V434-Y469 HydrophobicContact CG1-CE2 4.32Å; T465-Y469 VanDerWaalsContact O-CD2 3.24Å; T465-Y469 WeakPolarHBondContact O-CD2 3.26Å; T465-Y469 PolarHBondContact O-N 3.3Å; S466-Y469 PolarHBondContact O-N 3.42Å; Y469-S472 PolarHBondContact O-N 3.25Å; Y469-V473 WeakPolarHBondContact O-CG2 3.4Å; Y469-V473 PolarHBondContact O-N 3.2Å
470	I	94.6	Very high	95.2	Very high	43 Å²	43	23.3 Å²	23.3	22%	0.221	15%	0.149	C	C	.	.	H	α-helix	trans	-63	-45.6	179.5	-70.2	170.2	0	0	0	110.8	F156 V159 S466 V473 V474	F156-I470 HydrophobicContact CD2-CG2 3.85Å; F156-I470 HydrophobicContact CE2-CG2 3.35Å; F156-I470 HydrophobicContact CZ-CG2 4.23Å; V159-I470 HydrophobicContact CG1-CG1 3.66Å; S466-I470 WeakPolarHBondContact O-CB 3.38Å; S466-I470 VanDerWaalsContact O-CG1 3.24Å; S466-I470 WeakPolarHBondContact O-CG1 3.49Å; S466-I470 PolarHBondContact O-N 3.36Å; I470-V473 PolarHBondContact O-N 3.47Å; I470-V474 PolarHBondContact O-N 3.43Å
471	S	95.3	Very high	95.1	Very high	36 Å²	36	18.8 Å²	18.8	25%	0.252	13%	0.125	S	C	.	.	H	α-helix	trans	-65.3	-41.4	177.3	56.9	0	0	0	0	111.7	Y294 A467 V468 V473 V474 L475	Y294-S471 PolarHBondContact OH-OG 2.97Å; A467-S471 VanDerWaalsContact O-CB 3.3Å; A467-S471 WeakPolarHBondContact O-CB 3.34Å; A467-S471 PolarHBondContact O-N 2.98Å; A467-S471 PolarHBondContact O-OG 3.11Å; V468-S471 PolarHBondContact O-OG 3.25Å; V468-S471 VanDerWaalsContact O-OG 3.07Å; S471-V473 VanDerWaalsContact C-N 3.34Å; S471-V473 PolarHBondContact O-N 3.35Å; S471-V474 PolarHBondContact O-N 3.02Å; S471-L475 WeakPolarHBondContact O-CB 3.5Å; S471-L475 WeakPolarHBondContact O-CG 3.39Å; S471-L475 PolarHBondContact O-N 3.22Å
472	S	94.3	Very high	94.9	Very high	5 Å²	5	19 Å²	19	4%	0.035	13%	0.127	C	C	.	.	H	α-helix	trans	-60.7	-40.6	177.8	-60.9	0	0	0	0	112.5	V468 Y469 V474 L475 F476	V468-S472 VanDerWaalsContact O-CB 3.24Å; V468-S472 WeakPolarHBondContact O-CB 2.98Å; V468-S472 PolarHBondContact O-N 3.05Å; V468-S472 PolarHBondContact O-OG 2.81Å; Y469-S472 PolarHBondContact O-N 3.25Å; S472-V474 VanDerWaalsContact C-N 3.34Å; S472-V474 PolarHBondContact O-N 3Å; S472-L475 PolarHBondContact O-N 3.2Å; S472-F476 WeakPolarHBondContact O-CB 3.4Å; S472-F476 WeakPolarHBondContact O-CD2 3.41Å; S472-F476 WeakPolarHBondContact O-CG 3.34Å; S472-F476 PolarHBondContact O-N 3.49Å
473	V	95.5	Very high	94.8	Very high	0 Å²	0	19 Å²	19	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-56.3	-47.5	175.5	164.6	0	0	0	0	111.7	L143 V147 I152 F156 V159 Y469 I470 S471 G477	L143-V473 HydrophobicContact CD1-CG2 3.98Å; V147-V473 HydrophobicContact CG2-CB 4.19Å; V147-V473 HydrophobicContact CG2-CG1 4.09Å; V147-V473 HydrophobicContact CG2-CG2 3.97Å; I152-V473 HydrophobicContact CG2-CG1 4.44Å; F156-V473 HydrophobicContact CB-CG1 4.5Å; V159-V473 HydrophobicContact CG2-CG2 3.85Å; Y469-V473 WeakPolarHBondContact O-CG2 3.4Å; Y469-V473 PolarHBondContact O-N 3.2Å; I470-V473 PolarHBondContact O-N 3.47Å; S471-V473 VanDerWaalsContact C-N 3.34Å; S471-V473 PolarHBondContact O-N 3.35Å; V473-G477 PolarHBondContact O-N 2.98Å
474	V	94.9	Very high	94.7	Very high	51 Å²	51	16.8 Å²	16.8	31%	0.309	11%	0.109	S	C	.	.	H	α-helix	trans	-69.1	-44	-180	178.7	0	0	0	0	111	I152 I470 S471 S472 A478	I152-V474 HydrophobicContact CG2-CG2 4.4Å; I470-V474 PolarHBondContact O-N 3.43Å; S471-V474 PolarHBondContact O-N 3.02Å; S472-V474 VanDerWaalsContact C-N 3.34Å; S472-V474 PolarHBondContact O-N 3Å; V474-A478 VanDerWaalsContact O-CB 3.3Å; V474-A478 WeakPolarHBondContact O-CB 3.37Å; V474-A478 PolarHBondContact O-N 3.39Å
475	L	94.8	Very high	94.6	Very high	45 Å²	45	14.5 Å²	14.5	24%	0.236	10%	0.095	C	C	.	.	H	α-helix	trans	-68.1	-41	-176.7	-67.3	175.8	0	0	0	112.4	Y294 V297 S471 S472 A478 C479	Y294-L475 HydrophobicContact CD1-CD1 3.84Å; Y294-L475 HydrophobicContact CE1-CD1 3.6Å; V297-L475 HydrophobicContact CG1-CB 4.4Å; V297-L475 HydrophobicContact CG1-CD1 4.12Å; V297-L475 HydrophobicContact CG1-CD2 3.74Å; V297-L475 HydrophobicContact CG1-CG 4.28Å; V297-L475 HydrophobicContact CG2-CB 4.17Å; V297-L475 HydrophobicContact CG2-CD1 4.29Å; S471-L475 WeakPolarHBondContact O-CB 3.5Å; S471-L475 WeakPolarHBondContact O-CG 3.39Å; S471-L475 PolarHBondContact O-N 3.22Å; S472-L475 PolarHBondContact O-N 3.2Å; L475-A478 PolarHBondContact O-N 3.02Å; L475-C479 WeakPolarHBondContact O-CB 3.49Å; L475-C479 PolarHBondContact O-N 3.31Å; L475-C479 PolarHBondContact O-SG 3.05Å
476	F	95.1	Very high	94.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-63.5	-46.7	176.8	-64.9	-18.8	0	0	0	111.6	L143 T144 I293 S472 A478 C479 I480 L485 V499 L502	L143-F476 HydrophobicContact CB-CE2 4.28Å; L143-F476 HydrophobicContact CD2-CD2 4.39Å; L143-F476 HydrophobicContact CD2-CE2 3.85Å; L143-F476 HydrophobicContact CG-CD2 4.24Å; L143-F476 HydrophobicContact CG-CE2 4.02Å; T144-F476 HydrophobicContact CG2-CD2 3.78Å; T144-F476 HydrophobicContact CG2-CE2 3.96Å; T144-F476 HydrophobicContact CG2-CG 4.18Å; I293-F476 HydrophobicContact CG2-CE1 3.75Å; I293-F476 HydrophobicContact CG2-CZ 4.24Å; S472-F476 WeakPolarHBondContact O-CB 3.4Å; S472-F476 WeakPolarHBondContact O-CD2 3.41Å; S472-F476 WeakPolarHBondContact O-CG 3.34Å; S472-F476 PolarHBondContact O-N 3.49Å; F476-A478 PolarHBondContact O-N 3.14Å; F476-C479 PolarHBondContact O-N 3.11Å; F476-I480 PolarHBondContact O-N 3.19Å; F476-I480 VanDerWaalsContact O-N 3.08Å; F476-L485 HydrophobicContact CB-CD2 4.38Å; F476-V499 HydrophobicContact CE1-CG2 3.89Å; F476-V499 HydrophobicContact CZ-CB 4.46Å; F476-V499 HydrophobicContact CZ-CG2 3.66Å; F476-L502 HydrophobicContact CD1-CD2 4.01Å; F476-L502 HydrophobicContact CE1-CD2 4.21Å
477	G	94.1	Very high	94.3	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-66.3	-24.3	176.6	0	0	0	0	0	114.1	N380 V473	N380-G477 WeakPolarHBondContact CB-O 3.4Å; N380-G477 PolarHBondContact ND2-O 2.91Å; V473-G477 PolarHBondContact O-N 2.98Å
478	A	94	Very high	93.9	Very high	14 Å²	14	13.1 Å²	13.1	12%	0.116	8%	0.075	C	C	.	.	H	α-helix	trans	-84.6	-26.4	176.9	0	0	0	0	0	114.1	I377 V474 L475 F476	I377-A478 HydrophobicContact CB-CB 4.31Å; I377-A478 HydrophobicContact CD1-CB 4.48Å; I377-A478 HydrophobicContact CG1-CB 4.48Å; V474-A478 VanDerWaalsContact O-CB 3.3Å; V474-A478 WeakPolarHBondContact O-CB 3.37Å; V474-A478 PolarHBondContact O-N 3.39Å; L475-A478 PolarHBondContact O-N 3.02Å; F476-A478 PolarHBondContact O-N 3.14Å
479	C	94.7	Very high	93.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-105	-30.8	-172	-58	0	0	0	0	114.7	I369 P370 G371 L475 F476 L502	I369-C479 WeakPolarHBondContact CG2-O 3.47Å; P370-C479 WeakPolarHBondContact CD-O 3.48Å; G371-C479 PolarHBondContact N-O 2.76Å; L475-C479 WeakPolarHBondContact O-CB 3.49Å; L475-C479 PolarHBondContact O-N 3.31Å; L475-C479 PolarHBondContact O-SG 3.05Å; F476-C479 PolarHBondContact O-N 3.11Å; C479-L502 HydrophobicContact CB-CD1 4.06Å; C479-L502 HydrophobicContact CB-CD2 4.39Å
480	I	94.3	Very high	93.2	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.078	C	C	.	.	S	Bend	trans	-111.4	130	-168	-53.5	175	0	0	0	110.6	T144 L376 N380 F476 V484 L485 V498 L502	T144-I480 HydrophobicContact CG2-CD1 4.5Å; L376-I480 WeakPolarHBondContact CD2-O 3.31Å; N380-I480 PolarHBondContact ND2-O 3.48Å; F476-I480 PolarHBondContact O-N 3.19Å; F476-I480 VanDerWaalsContact O-N 3.08Å; I480-V484 HydrophobicContact CG2-CB 3.88Å; I480-V484 HydrophobicContact CG2-CG1 3.9Å; I480-L485 HydrophobicContact CB-CD1 4.4Å; I480-L485 HydrophobicContact CB-CD2 3.83Å; I480-L485 HydrophobicContact CB-CG 3.92Å; I480-L485 HydrophobicContact CD1-CD2 4.02Å; I480-L485 HydrophobicContact CG1-CD2 4.49Å; I480-L485 HydrophobicContact CG2-CD2 3.86Å; I480-L485 HydrophobicContact CG2-CG 3.81Å; I480-L485 WeakPolarHBondContact O-CD1 3.11Å; I480-V498 HydrophobicContact CD1-CG1 4.09Å; I480-V498 HydrophobicContact CG2-CG1 4.17Å; I480-L502 HydrophobicContact CD1-CD2 4.15Å; I480-L502 HydrophobicContact CG1-CD2 4.35Å
481	E	93.9	Very high	92.9	Very high	8 Å²	8	15.1 Å²	15.1	4%	0.037	8%	0.082	C	C	.	.			trans	-54.7	138	179.1	-173.4	60.4	-127	0	0	112.6	I309 I366 G368 L376 R394 V483 V484 L485	I309-E481 HydrophobicContact CD1-CG 4.3Å; I366-E481 HydrophobicContact CD1-CG 4.45Å; G368-E481 WeakPolarHBondContact O-CB 3.42Å; G368-E481 PolarHBondContact O-N 2.98Å; L376-E481 WeakPolarHBondContact CD1-OE2 3.32Å; R394-E481 IonicContact CZ-OE1 2.98Å; R394-E481 IonicContact CZ-OE2 3.27Å; R394-E481 IonicContact NE-OE1 3.88Å; R394-E481 PolarHBondContact NE-OE1 2.71Å; R394-E481 IonicContact NH1-OE1 3.64Å; R394-E481 PolarHBondContact NH1-OE1 3.01Å; R394-E481 IonicContact NH1-OE2 3.34Å; R394-E481 PolarHBondContact NH1-OE2 2.89Å; R394-E481 IonicContact NH2-OE1 3.38Å; R394-E481 PolarHBondContact NH2-OE1 2.81Å; R394-E481 IonicContact NH2-OE2 3.75Å; R394-E481 PolarHBondContact NH2-OE2 3.29Å; E481-V483 VanDerWaalsContact C-N 3.28Å; E481-V483 HydrophobicContact CG-CG2 3.88Å; E481-V483 PolarHBondContact O-N 2.96Å; E481-V484 HydrophobicContact CB-CG2 4.19Å; E481-V484 WeakPolarHBondContact O-CB 3.28Å; E481-V484 PolarHBondContact O-N 3.22Å; E481-L485 PolarHBondContact O-N 3.08Å
482	G	92.6	Very high	92.7	Very high	5 Å²	5	13.4 Å²	13.4	5%	0.052	7%	0.07	C	C	.	.	H	α-helix	trans	-63.5	-27.6	-170	0	0	0	0	0	114.8	N380 R486	N380-G482 WeakPolarHBondContact OD1-CA 3.5Å; G482-R486 WeakPolarHBondContact O-CG 3.45Å; G482-R486 PolarHBondContact O-N 3.03Å; G482-R486 PolarHBondContact O-NE 3.28Å
483	V	93.1	Very high	92.5	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.006	7%	0.07	C	C	.	.	H	α-helix	trans	-70.2	-34.2	172.6	-67.6	0	0	0	0	112.4	I309 T316 V392 R394 E481 R486 D487	I309-V483 HydrophobicContact CD1-CG2 3.32Å; T316-V483 WeakPolarHBondContact OG1-CG1 3.29Å; V392-V483 HydrophobicContact CG1-CB 4.09Å; V392-V483 HydrophobicContact CG1-CG1 4.15Å; R394-V483 HydrophobicContact CB-CG1 3.73Å; R394-V483 HydrophobicContact CG-CG1 4.5Å; E481-V483 VanDerWaalsContact C-N 3.28Å; E481-V483 HydrophobicContact CG-CG2 3.88Å; E481-V483 PolarHBondContact O-N 2.96Å; V483-R486 PolarHBondContact O-N 3.49Å; V483-D487 PolarHBondContact O-N 3.08Å
484	V	94.1	Very high	92	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-73.4	-37	177.2	-176.3	0	0	0	0	110.4	I309 I480 E481 R486 D487 V493 V498	I309-V484 HydrophobicContact CD1-CG2 3.83Å; I309-V484 HydrophobicContact CG2-CG2 3.88Å; I480-V484 HydrophobicContact CG2-CB 3.88Å; I480-V484 HydrophobicContact CG2-CG1 3.9Å; E481-V484 HydrophobicContact CB-CG2 4.19Å; E481-V484 WeakPolarHBondContact O-CB 3.28Å; E481-V484 PolarHBondContact O-N 3.22Å; V484-R486 VanDerWaalsContact C-N 3.3Å; V484-R486 PolarHBondContact O-N 3.19Å; V484-D487 PolarHBondContact O-N 3.22Å; V484-V493 HydrophobicContact CG1-CG1 3.73Å; V484-V493 HydrophobicContact CG1-CG2 4.48Å; V484-V493 HydrophobicContact CG2-CG1 4.16Å; V484-V498 HydrophobicContact CG1-CG1 3.91Å; V484-V498 HydrophobicContact CG1-CG2 4.08Å
485	L	93.8	Very high	91.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64.6	-33.6	174.2	-71.7	174	0	0	0	112.7	T144 W145 V147 F476 I480 E481 D487	T144-L485 HydrophobicContact CG2-CD2 4.33Å; W145-L485 VanDerWaalsContact CA-O 3.27Å; W145-L485 WeakPolarHBondContact CA-O 3.5Å; V147-L485 HydrophobicContact CG1-CD1 4.35Å; F476-L485 HydrophobicContact CB-CD2 4.38Å; I480-L485 HydrophobicContact CB-CD1 4.4Å; I480-L485 HydrophobicContact CB-CD2 3.83Å; I480-L485 HydrophobicContact CB-CG 3.92Å; I480-L485 HydrophobicContact CD1-CD2 4.02Å; I480-L485 HydrophobicContact CG1-CD2 4.49Å; I480-L485 HydrophobicContact CG2-CD2 3.86Å; I480-L485 HydrophobicContact CG2-CG 3.81Å; I480-L485 WeakPolarHBondContact O-CD1 3.11Å; E481-L485 PolarHBondContact O-N 3.08Å; L485-D487 VanDerWaalsContact C-N 3.31Å
486	R	93.4	Very high	91.4	Very high	24 Å²	24	16.8 Å²	16.8	9%	0.091	9%	0.091	C	C	.	.	H	α-helix	trans	-81.1	-12.9	180	-73.1	176.3	-71.2	159.5	-1.3	113.6	G148 I149 V392 E393 G482 V483 V484	G148-R486 VanDerWaalsContact O-CG 3.27Å; G148-R486 WeakPolarHBondContact O-CG 3.49Å; I149-R486 HydrophobicContact CD1-CB 4.36Å; I149-R486 HydrophobicContact CD1-CG 3.98Å; V392-R486 HydrophobicContact CG1-CB 3.9Å; E393-R486 VanDerWaalsContact O-CZ 3.28Å; E393-R486 PolarHBondContact O-NH1 3.06Å; E393-R486 PolarHBondContact O-NH2 3.19Å; G482-R486 WeakPolarHBondContact O-CG 3.45Å; G482-R486 PolarHBondContact O-N 3.03Å; G482-R486 PolarHBondContact O-NE 3.28Å; V483-R486 PolarHBondContact O-N 3.49Å; V484-R486 VanDerWaalsContact C-N 3.3Å; V484-R486 PolarHBondContact O-N 3.19Å
487	D	90.6	Very high	91.2	Very high	6 Å²	6	17 Å²	17	3%	0.032	9%	0.093	C	C	.	.			trans	-84.2	112.8	173.8	-179.7	-4.2	0	0	0	110.1	V415 V483 V484 L485 F489 G490 E491 A492	V415-D487 HydrophobicContact CG1-CB 4.14Å; V483-D487 PolarHBondContact O-N 3.08Å; V484-D487 PolarHBondContact O-N 3.22Å; L485-D487 VanDerWaalsContact C-N 3.31Å; D487-F489 PolarHBondContact OD1-N 3.12Å; D487-F489 VanDerWaalsContact OD1-N 3.15Å; D487-G490 PolarHBondContact OD1-N 3.2Å; D487-G490 VanDerWaalsContact OD2-C 3.26Å; D487-G490 WeakPolarHBondContact OD2-CA 3.29Å; D487-E491 PolarHBondContact OD1-N 3.16Å; D487-E491 PolarHBondContact OD2-N 3.39Å; D487-A492 WeakPolarHBondContact OD2-CB 3.08Å; D487-A492 PolarHBondContact OD2-N 3.2Å
488	K	88.1	Confident	91.2	Very high	19 Å²	19	17.2 Å²	17.2	8%	0.083	9%	0.094	C	C	.	.	S	Bend	trans	-72.8	-36.7	-174.8	179.3	-177.8	166.3	-170.3	0	113	W145 D418 D578	W145-K488 HydrophobicContact CG-CB 4.36Å; D418-K488 HydrophobicContact CB-CD 4.39Å; D418-K488 IonicContact OD2-NZ 2.86Å; D418-K488 PolarHBondContact OD2-NZ 2.86Å; K488-D578 WeakPolarHBondContact CE-OD2 3.44Å; K488-D578 IonicContact NZ-OD2 3.45Å; K488-D578 PolarHBondContact NZ-OD2 2.9Å
489	F	87.5	Confident	91.1	Very high	41 Å²	41	16.6 Å²	16.6	18%	0.18	9%	0.089	C	C	.	.	S	Bend	trans	-103.6	-7.1	-173.6	-59.2	-63.4	0	0	0	113	Y229 M249 D487	Y229-F489 WeakPolarHBondContact CE1-O 3.41Å; M249-F489 HydrophobicContact CE-CD1 4.31Å; M249-F489 HydrophobicContact CE-CE1 3.86Å; M249-F489 HydrophobicContact CE-CZ 4.27Å; M249-F489 HydrophobicContact SD-CZ 4.42Å; D487-F489 PolarHBondContact OD1-N 3.12Å; D487-F489 VanDerWaalsContact OD1-N 3.15Å
490	G	89.1	Confident	91.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.089	C	C	.	.			trans	76.8	28.2	176.4	0	0	0	0	0	113.6	D487 A492 V493 N494 G495	D487-G490 PolarHBondContact OD1-N 3.2Å; D487-G490 VanDerWaalsContact OD2-C 3.26Å; D487-G490 WeakPolarHBondContact OD2-CA 3.29Å; G490-A492 VanDerWaalsContact C-N 3.27Å; G490-A492 PolarHBondContact O-N 3.28Å; G490-V493 CarbonylContact O-C 3.46Å; G490-V493 VanDerWaalsContact O-CG2 3.24Å; G490-V493 WeakPolarHBondContact O-CG2 3.22Å; G490-V493 PolarHBondContact O-N 3.41Å; G490-V493 VanDerWaalsContact O-N 3.08Å; G490-N494 PolarHBondContact O-N 3.03Å; G490-G495 WeakPolarHBondContact O-CA 3.45Å; G490-G495 PolarHBondContact O-N 3.31Å
491	E	88.2	Confident	91	Very high	62 Å²	62	16.6 Å²	16.6	29%	0.29	9%	0.089	S	C	.	.	G	3₁₀ helix	trans	-58.5	-36.3	175.8	-70	-177.2	-155	0	0	113	S318 R319 V415 D487 V493 N494	S318-E491 PolarHBondContact OG-OE2 3.49Å; R319-E491 PolarHBondContact N-O 3.41Å; V415-E491 HydrophobicContact CG2-CB 4.22Å; D487-E491 PolarHBondContact OD1-N 3.16Å; D487-E491 PolarHBondContact OD2-N 3.39Å; E491-V493 PolarHBondContact O-N 2.98Å; E491-N494 PolarHBondContact O-N 3.02Å
492	A	89.9	Confident	91	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.008	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-64.7	-27.7	176	0	0	0	0	0	112.5	I309 T316 V415 D487 G490	I309-A492 HydrophobicContact CG2-CB 4.31Å; I309-A492 WeakPolarHBondContact CG2-O 3.03Å; T316-A492 HydrophobicContact CG2-CB 3.8Å; V415-A492 HydrophobicContact CG2-CB 4.38Å; D487-A492 WeakPolarHBondContact OD2-CB 3.08Å; D487-A492 PolarHBondContact OD2-N 3.2Å; G490-A492 VanDerWaalsContact C-N 3.27Å; G490-A492 PolarHBondContact O-N 3.28Å
493	V	90.6	Very high	91	Very high	5 Å²	5	16.6 Å²	16.6	3%	0.03	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-108.4	32.9	-178.2	-67.8	0	0	0	0	112.3	I309 V484 G490 E491 G495 N496 T501	I309-V493 HydrophobicContact CG2-CG1 3.8Å; V484-V493 HydrophobicContact CG1-CG1 3.73Å; V484-V493 HydrophobicContact CG1-CG2 4.48Å; V484-V493 HydrophobicContact CG2-CG1 4.16Å; G490-V493 CarbonylContact O-C 3.46Å; G490-V493 VanDerWaalsContact O-CG2 3.24Å; G490-V493 WeakPolarHBondContact O-CG2 3.22Å; G490-V493 PolarHBondContact O-N 3.41Å; G490-V493 VanDerWaalsContact O-N 3.08Å; E491-V493 PolarHBondContact O-N 2.98Å; V493-G495 PolarHBondContact O-N 3.37Å; V493-N496 HydrophobicContact CG2-CB 4.28Å; V493-N496 VanDerWaalsContact CG2-O 3.31Å; V493-N496 WeakPolarHBondContact CG2-O 3.29Å; V493-N496 WeakPolarHBondContact O-CB 3.39Å; V493-N496 PolarHBondContact O-N 2.85Å; V493-N496 PolarHBondContact O-ND2 3.43Å; V493-T501 HydrophobicContact CB-CG2 4.42Å; V493-T501 HydrophobicContact CG2-CG2 4.33Å
494	N	86.5	Confident	91.1	Very high	99 Å²	99	23.1 Å²	23.1	53%	0.529	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	41.2	174.9	-159.3	25.3	0	0	0	113.8	R319 G490 E491 N496	R319-N494 HydrophobicContact CB-CB 4.13Å; R319-N494 HydrophobicContact CG-CB 4.07Å; G490-N494 PolarHBondContact O-N 3.03Å; E491-N494 PolarHBondContact O-N 3.02Å; N494-N496 VanDerWaalsContact C-N 3.27Å; N494-N496 PolarHBondContact O-N 3.06Å
495	G	85.2	Confident	91	Very high	22 Å²	22	27.4 Å²	27.4	23%	0.227	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	20	178.5	0	0	0	0	0	113.8	Y229 G490 V493	Y229-G495 VanDerWaalsContact CD1-O 3.31Å; Y229-G495 WeakPolarHBondContact CD1-O 3.37Å; G490-G495 WeakPolarHBondContact O-CA 3.45Å; G490-G495 PolarHBondContact O-N 3.31Å; V493-G495 PolarHBondContact O-N 3.37Å
496	N	91	Very high	91	Very high	45 Å²	45	29.3 Å²	29.3	24%	0.241	16%	0.155	C	C	.	.			trans	-86.4	141.4	172.4	-70.3	-69.7	0	0	0	110.7	V493 N494 V498 T501	V493-N496 HydrophobicContact CG2-CB 4.28Å; V493-N496 VanDerWaalsContact CG2-O 3.31Å; V493-N496 WeakPolarHBondContact CG2-O 3.29Å; V493-N496 WeakPolarHBondContact O-CB 3.39Å; V493-N496 PolarHBondContact O-N 2.85Å; V493-N496 PolarHBondContact O-ND2 3.43Å; N494-N496 VanDerWaalsContact C-N 3.27Å; N494-N496 PolarHBondContact O-N 3.06Å; N496-V498 PolarHBondContact O-N 2.91Å; N496-T501 HydrophobicContact CB-CG2 3.5Å; N496-T501 VanDerWaalsContact CB-CG2 3.5Å
497	L	91.6	Very high	90.9	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.026	16%	0.158	C	C	.	.			trans	-62.7	123.9	174.3	-161	165.5	0	0	0	109.6	L141 Y229 V499 G500 T501 V511	L141-L497 HydrophobicContact CD2-CD1 4.08Å; Y229-L497 HydrophobicContact CD1-CB 4.05Å; Y229-L497 HydrophobicContact CD2-CB 4.33Å; Y229-L497 HydrophobicContact CD2-CD1 3.84Å; Y229-L497 HydrophobicContact CD2-CG 4.26Å; Y229-L497 HydrophobicContact CE1-CB 3.93Å; Y229-L497 HydrophobicContact CE1-CG 4.35Å; Y229-L497 HydrophobicContact CE2-CB 4.27Å; Y229-L497 HydrophobicContact CE2-CD1 3.8Å; Y229-L497 HydrophobicContact CE2-CG 3.91Å; Y229-L497 HydrophobicContact CG-CB 4.26Å; Y229-L497 HydrophobicContact CG-CD1 4.47Å; L497-V499 VanDerWaalsContact C-N 3.34Å; L497-V499 HydrophobicContact CD2-CB 4.21Å; L497-V499 HydrophobicContact CD2-CG1 3.13Å; L497-V499 PolarHBondContact O-N 3.02Å; L497-G500 VanDerWaalsContact O-CA 3.25Å; L497-G500 WeakPolarHBondContact O-CA 3.38Å; L497-G500 PolarHBondContact O-N 3.17Å; L497-T501 PolarHBondContact O-N 3.12Å; L497-T501 VanDerWaalsContact O-N 3.1Å; L497-V511 HydrophobicContact CB-CG2 4.3Å; L497-V511 HydrophobicContact CD1-CG2 4.46Å
498	V	92.8	Very high	91	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.03	18%	0.181	C	C	.	.	H	α-helix	trans	-57.4	-37.3	-170.1	175.4	0	0	0	0	114.1	T144 I480 V484 N496 G500 T501	T144-V498 HydrophobicContact CG2-CG1 4.06Å; I480-V498 HydrophobicContact CD1-CG1 4.09Å; I480-V498 HydrophobicContact CG2-CG1 4.17Å; V484-V498 HydrophobicContact CG1-CG1 3.91Å; V484-V498 HydrophobicContact CG1-CG2 4.08Å; N496-V498 PolarHBondContact O-N 2.91Å; V498-G500 VanDerWaalsContact C-N 3.33Å; V498-T501 PolarHBondContact O-OG1 2.72Å
499	V	93.3	Very high	91.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-76.9	-23.4	173.4	61.2	0	0	0	0	112.3	F140 T144 I293 F476 L497 L502 A503 I510	F140-V499 WeakPolarHBondContact O-CG1 3.39Å; T144-V499 HydrophobicContact CG2-CB 3.99Å; I293-V499 HydrophobicContact CD1-CG2 3.51Å; I293-V499 HydrophobicContact CG1-CG2 3.74Å; I293-V499 HydrophobicContact CG2-CG2 4.36Å; F476-V499 HydrophobicContact CE1-CG2 3.89Å; F476-V499 HydrophobicContact CZ-CB 4.46Å; F476-V499 HydrophobicContact CZ-CG2 3.66Å; L497-V499 VanDerWaalsContact C-N 3.34Å; L497-V499 HydrophobicContact CD2-CB 4.21Å; L497-V499 HydrophobicContact CD2-CG1 3.13Å; L497-V499 PolarHBondContact O-N 3.02Å; V499-L502 PolarHBondContact O-N 3.19Å; V499-A503 PolarHBondContact O-N 3.16Å; V499-I510 HydrophobicContact CG1-CG2 4.08Å
500	G	93.2	Very high	91.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-68.9	-37.7	175.4	0	0	0	0	0	112.7	L497 V498 L502 A503 P507	L497-G500 VanDerWaalsContact O-CA 3.25Å; L497-G500 WeakPolarHBondContact O-CA 3.38Å; L497-G500 PolarHBondContact O-N 3.17Å; V498-G500 VanDerWaalsContact C-N 3.33Å; G500-L502 PolarHBondContact O-N 2.9Å; G500-A503 PolarHBondContact O-N 3.22Å; G500-P507 VanDerWaalsContact O-CA 3.22Å; G500-P507 WeakPolarHBondContact O-CA 3.46Å; G500-P507 WeakPolarHBondContact O-CB 3.46Å
501	T	92.6	Very high	91.8	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.006	19%	0.185	C	C	.	.	H	α-helix	trans	-64	-23.9	178	52.9	0	0	0	0	113	P305 F307 I369 V493 N496 L497 V498	P305-T501 WeakPolarHBondContact CG-O 3.42Å; F307-T501 HydrophobicContact CD1-CG2 3.94Å; F307-T501 HydrophobicContact CD2-CG2 4.2Å; F307-T501 HydrophobicContact CE1-CG2 3.86Å; F307-T501 HydrophobicContact CE2-CG2 4.11Å; F307-T501 WeakPolarHBondContact CE2-O 3.47Å; F307-T501 HydrophobicContact CG-CG2 4.12Å; F307-T501 HydrophobicContact CZ-CG2 3.95Å; I369-T501 VanDerWaalsContact CD1-C 3.43Å; I369-T501 WeakPolarHBondContact CD1-O 3.47Å; I369-T501 WeakPolarHBondContact CD1-OG1 3.48Å; V493-T501 HydrophobicContact CB-CG2 4.42Å; V493-T501 HydrophobicContact CG2-CG2 4.33Å; N496-T501 HydrophobicContact CB-CG2 3.5Å; N496-T501 VanDerWaalsContact CB-CG2 3.5Å; L497-T501 PolarHBondContact O-N 3.12Å; L497-T501 VanDerWaalsContact O-N 3.1Å; V498-T501 PolarHBondContact O-OG1 2.72Å
502	L	93.2	Very high	92	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.016	19%	0.192	C	C	.	.	H	α-helix	trans	-81.9	-25.4	173.5	-175.6	59.3	0	0	0	113	G296 V297 I369 F476 C479 I480 V499 G500	G296-L502 CarbonylContact C-O 3.49Å; G296-L502 WeakPolarHBondContact CA-O 3.45Å; V297-L502 HydrophobicContact CG2-CD1 4.49Å; V297-L502 HydrophobicContact CG2-CD2 3.72Å; V297-L502 HydrophobicContact CG2-CG 4.22Å; I369-L502 HydrophobicContact CD1-CB 4.4Å; I369-L502 HydrophobicContact CG2-CD1 4.08Å; F476-L502 HydrophobicContact CD1-CD2 4.01Å; F476-L502 HydrophobicContact CE1-CD2 4.21Å; C479-L502 HydrophobicContact CB-CD1 4.06Å; C479-L502 HydrophobicContact CB-CD2 4.39Å; I480-L502 HydrophobicContact CD1-CD2 4.15Å; I480-L502 HydrophobicContact CG1-CD2 4.35Å; V499-L502 PolarHBondContact O-N 3.19Å; G500-L502 PolarHBondContact O-N 2.9Å
503	A	94	Very high	92.1	Very high	10 Å²	10	36.5 Å²	36.5	8%	0.083	19%	0.194	C	C	.	.			trans	-75.4	143.4	-169.4	0	0	0	0	0	113.8	A292 V499 G500 I510	A292-A503 HydrophobicContact CB-CB 4.41Å; V499-A503 PolarHBondContact O-N 3.16Å; G500-A503 PolarHBondContact O-N 3.22Å; A503-I510 HydrophobicContact CB-CD1 3.9Å; A503-I510 HydrophobicContact CB-CG1 3.37Å
504	W	93.8	Very high	92.2	Very high	137 Å²	137	36.3 Å²	36.3	52%	0.519	19%	0.193	S	C	.	.	S	Bend	trans	-111.9	137.9	173	-179.9	84.8	0	0	0	109.9	A292 A295 K299	A292-W504 WeakPolarHBondContact CA-O 3.21Å; A292-W504 WeakPolarHBondContact CB-O 3.34Å; A292-W504 PolarHBondContact O-N 2.83Å; A292-W504 VanDerWaalsContact O-N 3.13Å; A295-W504 HydrophobicContact CB-CB 4.46Å; A295-W504 HydrophobicContact CB-CE3 3.98Å; K299-W504 HydrophobicContact CD-CB 4.4Å; K299-W504 HydrophobicContact CD-CG 4.03Å
505	P	92.9	Very high	92.5	Very high	91 Å²	91	33.6 Å²	33.6	59%	0.591	18%	0.177	S	C	*	.	S	Bend	cis	-86.8	-15.8	10.6	32.9	-37.6	0	0	0	116.5	V509	P505-V509 HydrophobicContact CG-CG2 4.27Å
506	S	93	Very high	92.8	Very high	39 Å²	39	36.9 Å²	36.9	27%	0.273	19%	0.185	S	C	.	.			trans	-153.5	148.2	-175.6	-179.7	0	0	0	0	111.6	W508 V509	S506-W508 PolarHBondContact O-N 2.94Å; S506-W508 PolarHBondContact OG-N 3.3Å; S506-V509 WeakPolarHBondContact O-CB 3.46Å; S506-V509 PolarHBondContact O-N 3.11Å; S506-V509 VanDerWaalsContact O-N 3.13Å
507	P	91.9	Very high	92.8	Very high	25 Å²	25	35 Å²	35	16%	0.162	18%	0.175	C	C	.	.	H	α-helix	trans	-56	-32.1	172.8	-25	33.8	0	0	0	113.9	F307 G500 V509 I510 V511	F307-P507 HydrophobicContact CZ-CG 3.94Å; G500-P507 VanDerWaalsContact O-CA 3.22Å; G500-P507 WeakPolarHBondContact O-CA 3.46Å; G500-P507 WeakPolarHBondContact O-CB 3.46Å; P507-V509 PolarHBondContact O-N 2.99Å; P507-I510 PolarHBondContact O-N 3.36Å; P507-I510 VanDerWaalsContact O-N 3.1Å; P507-V511 PolarHBondContact O-N 2.95Å
508	W	92.7	Very high	92.8	Very high	132 Å²	132	34.9 Å²	34.9	50%	0.5	17%	0.174	S	C	.	.	H	α-helix	trans	-60.9	-25.5	179.7	-69.5	107.5	0	0	0	113.6	L230 S506 I510 V511 I512	L230-W508 HydrophobicContact CD1-CZ3 4.03Å; S506-W508 PolarHBondContact O-N 2.94Å; S506-W508 PolarHBondContact OG-N 3.3Å; W508-I510 VanDerWaalsContact C-N 3.31Å; W508-I510 PolarHBondContact O-N 3.16Å; W508-V511 HydrophobicContact CE3-CB 4.33Å; W508-V511 HydrophobicContact CE3-CG1 4.3Å; W508-V511 HydrophobicContact CZ3-CG1 4.35Å; W508-V511 PolarHBondContact O-N 3.5Å; W508-I512 WeakPolarHBondContact O-CB 2.98Å; W508-I512 VanDerWaalsContact O-CG1 3.3Å; W508-I512 WeakPolarHBondContact O-CG1 3.49Å; W508-I512 PolarHBondContact O-N 3.05Å
509	V	93.6	Very high	92.8	Very high	51 Å²	51	36 Å²	36	31%	0.309	18%	0.183	S	C	.	.	H	α-helix	trans	-61.7	-43.5	176.3	178.3	0	0	0	0	110.3	A292 P505 S506 P507 G513	A292-V509 HydrophobicContact CB-CG1 4.09Å; P505-V509 HydrophobicContact CG-CG2 4.27Å; S506-V509 WeakPolarHBondContact O-CB 3.46Å; S506-V509 PolarHBondContact O-N 3.11Å; S506-V509 VanDerWaalsContact O-N 3.13Å; P507-V509 PolarHBondContact O-N 2.99Å; V509-G513 WeakPolarHBondContact O-CA 3.31Å; V509-G513 PolarHBondContact O-N 3.17Å
510	I	93.8	Very high	92.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-74.8	-40.2	178.7	-54.6	-56.4	0	0	0	110.9	F140 S289 A292 I293 V499 A503 P507 W508 I512 G513 S514	F140-I510 HydrophobicContact CD1-CG2 3.92Å; F140-I510 HydrophobicContact CE1-CG2 4.5Å; S289-I510 WeakPolarHBondContact O-CD1 3.16Å; A292-I510 HydrophobicContact CB-CD1 4.1Å; I293-I510 HydrophobicContact CD1-CD1 4.25Å; I293-I510 HydrophobicContact CG1-CD1 3.82Å; I293-I510 HydrophobicContact CG1-CG1 4.47Å; V499-I510 HydrophobicContact CG1-CG2 4.08Å; A503-I510 HydrophobicContact CB-CD1 3.9Å; A503-I510 HydrophobicContact CB-CG1 3.37Å; P507-I510 PolarHBondContact O-N 3.36Å; P507-I510 VanDerWaalsContact O-N 3.1Å; W508-I510 VanDerWaalsContact C-N 3.31Å; W508-I510 PolarHBondContact O-N 3.16Å; I510-I512 PolarHBondContact O-N 2.74Å; I510-G513 PolarHBondContact O-N 3.15Å; I510-S514 WeakPolarHBondContact O-CB 3.39Å; I510-S514 PolarHBondContact O-N 3.38Å; I510-S514 PolarHBondContact O-OG 3.3Å
511	V	93.5	Very high	92.5	Very high	8 Å²	8	36.8 Å²	36.8	5%	0.048	19%	0.189	C	C	.	.	H	α-helix	trans	-60.2	-49.8	178.7	177.4	0	0	0	0	110.7	I225 L230 L497 P507 W508 S514 F515	I225-V511 HydrophobicContact CG2-CG1 4.23Å; L230-V511 HydrophobicContact CD1-CG1 3.63Å; L497-V511 HydrophobicContact CB-CG2 4.3Å; L497-V511 HydrophobicContact CD1-CG2 4.46Å; P507-V511 PolarHBondContact O-N 2.95Å; W508-V511 HydrophobicContact CE3-CB 4.33Å; W508-V511 HydrophobicContact CE3-CG1 4.3Å; W508-V511 HydrophobicContact CZ3-CG1 4.35Å; W508-V511 PolarHBondContact O-N 3.5Å; V511-S514 PolarHBondContact O-OG 3.25Å; V511-F515 VanDerWaalsContact O-CB 3.32Å; V511-F515 WeakPolarHBondContact O-CB 3.31Å; V511-F515 PolarHBondContact O-N 2.82Å; V511-F515 VanDerWaalsContact O-N 3.1Å
512	I	92.8	Very high	92.5	Very high	83 Å²	83	36.7 Å²	36.7	43%	0.426	19%	0.189	S	C	.	.	H	α-helix	trans	-70.3	-43.1	179.1	-63.5	169.6	0	0	0	111	W508 I510 F515 F516	W508-I512 WeakPolarHBondContact O-CB 2.98Å; W508-I512 VanDerWaalsContact O-CG1 3.3Å; W508-I512 WeakPolarHBondContact O-CG1 3.49Å; W508-I512 PolarHBondContact O-N 3.05Å; I510-I512 PolarHBondContact O-N 2.74Å; I512-F515 PolarHBondContact O-N 2.82Å; I512-F516 HydrophobicContact CG2-CD2 3.74Å; I512-F516 HydrophobicContact CG2-CE2 3.6Å; I512-F516 VanDerWaalsContact O-CD2 3.28Å; I512-F516 WeakPolarHBondContact O-CD2 3.47Å; I512-F516 PolarHBondContact O-N 3.41Å; I512-F516 VanDerWaalsContact O-N 3.12Å
513	G	92.1	Very high	92.4	Very high	6 Å²	6	37.4 Å²	37.4	6%	0.062	19%	0.192	C	C	.	.	H	α-helix	trans	-64.2	-44.6	-179	0	0	0	0	0	112.9	V509 I510 S517	V509-G513 WeakPolarHBondContact O-CA 3.31Å; V509-G513 PolarHBondContact O-N 3.17Å; I510-G513 PolarHBondContact O-N 3.15Å; G513-S517 VanDerWaalsContact O-CB 3.28Å; G513-S517 WeakPolarHBondContact O-CB 3.45Å; G513-S517 PolarHBondContact O-N 3.03Å
514	S	92	Very high	92.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-66.2	-40.1	175.3	62.7	0	0	0	0	111.7	I510 V511 F516 S517 T518	I510-S514 WeakPolarHBondContact O-CB 3.39Å; I510-S514 PolarHBondContact O-N 3.38Å; I510-S514 PolarHBondContact O-OG 3.3Å; V511-S514 PolarHBondContact O-OG 3.25Å; S514-F516 PolarHBondContact O-N 3.4Å; S514-S517 WeakPolarHBondContact O-CB 3.29Å; S514-S517 PolarHBondContact O-N 3.12Å; S514-T518 WeakPolarHBondContact O-CG2 3.39Å; S514-T518 PolarHBondContact O-N 2.87Å; S514-T518 PolarHBondContact O-OG1 3.43Å; S514-T518 VanDerWaalsContact O-OG1 3.05Å
515	F	93.6	Very high	92.1	Very high	43 Å²	43	31.5 Å²	31.5	19%	0.189	17%	0.17	C	C	.	.	H	α-helix	trans	-56.8	-49.5	175.3	176	-96.8	0	0	0	112.8	T222 I225 L226 V511 I512 T518 C519	T222-F515 HydrophobicContact CG2-CD2 3.88Å; T222-F515 HydrophobicContact CG2-CE2 3.57Å; T222-F515 HydrophobicContact CG2-CZ 4.28Å; I225-F515 HydrophobicContact CG2-CB 3.99Å; I225-F515 HydrophobicContact CG2-CD2 4.36Å; L226-F515 HydrophobicContact CB-CE2 4.33Å; L226-F515 HydrophobicContact CD1-CE2 4.17Å; V511-F515 VanDerWaalsContact O-CB 3.32Å; V511-F515 WeakPolarHBondContact O-CB 3.31Å; V511-F515 PolarHBondContact O-N 2.82Å; V511-F515 VanDerWaalsContact O-N 3.1Å; I512-F515 PolarHBondContact O-N 2.82Å; F515-T518 PolarHBondContact O-OG1 3.33Å; F515-T518 VanDerWaalsContact O-OG1 3.09Å; F515-C519 VanDerWaalsContact O-CB 3.29Å; F515-C519 WeakPolarHBondContact O-CB 3.45Å; F515-C519 PolarHBondContact O-N 3.46Å; F515-C519 VanDerWaalsContact O-N 3.07Å
516	F	91.8	Very high	92.1	Very high	91 Å²	91	27.2 Å²	27.2	40%	0.399	14%	0.142	S	C	.	.	H	α-helix	trans	-70.3	-34.2	177.5	-74.6	-62.2	0	0	0	112.5	F282 C285 I512 S514 G520	F282-F516 HydrophobicContact CD1-CB 4.29Å; F282-F516 VanDerWaalsContact CD1-O 3.24Å; F282-F516 WeakPolarHBondContact CD1-O 3.21Å; F282-F516 HydrophobicContact CE1-CB 4.5Å; C285-F516 HydrophobicContact CB-CB 4.49Å; I512-F516 HydrophobicContact CG2-CD2 3.74Å; I512-F516 HydrophobicContact CG2-CE2 3.6Å; I512-F516 VanDerWaalsContact O-CD2 3.28Å; I512-F516 WeakPolarHBondContact O-CD2 3.47Å; I512-F516 PolarHBondContact O-N 3.41Å; I512-F516 VanDerWaalsContact O-N 3.12Å; S514-F516 PolarHBondContact O-N 3.4Å; F516-G520 PolarHBondContact O-N 3.48Å
517	S	90.8	Very high	92	Very high	6 Å²	6	25.5 Å²	25.5	4%	0.042	13%	0.13	C	C	.	.	H	α-helix	trans	-61.5	-48.6	174.8	176.7	0	0	0	0	112	V286 G513 S514 G520 A521	V286-S517 WeakPolarHBondContact CG2-OG 3.38Å; G513-S517 VanDerWaalsContact O-CB 3.28Å; G513-S517 WeakPolarHBondContact O-CB 3.45Å; G513-S517 PolarHBondContact O-N 3.03Å; S514-S517 WeakPolarHBondContact O-CB 3.29Å; S514-S517 PolarHBondContact O-N 3.12Å; S517-G520 PolarHBondContact O-N 2.93Å; S517-A521 WeakPolarHBondContact O-CB 3.44Å; S517-A521 PolarHBondContact O-N 3.37Å
518	T	92.2	Very high	91.9	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-69.6	-40.1	-178.5	53.2	0	0	0	0	111.4	V137 T222 I225 S514 F515 G520 A521 G522	V137-T518 HydrophobicContact CB-CG2 3.57Å; V137-T518 HydrophobicContact CG2-CG2 3.73Å; T222-T518 WeakPolarHBondContact OG1-CB 3.26Å; T222-T518 PolarHBondContact OG1-OG1 3.44Å; I225-T518 HydrophobicContact CD1-CG2 4.11Å; S514-T518 WeakPolarHBondContact O-CG2 3.39Å; S514-T518 PolarHBondContact O-N 2.87Å; S514-T518 PolarHBondContact O-OG1 3.43Å; S514-T518 VanDerWaalsContact O-OG1 3.05Å; F515-T518 PolarHBondContact O-OG1 3.33Å; F515-T518 VanDerWaalsContact O-OG1 3.09Å; T518-G520 VanDerWaalsContact C-N 3.35Å; T518-G520 PolarHBondContact O-N 3.31Å; T518-A521 PolarHBondContact O-N 2.99Å; T518-G522 PolarHBondContact O-N 3.43Å
519	C	92.1	Very high	91.9	Very high	30 Å²	30	18.4 Å²	18.4	20%	0.203	10%	0.103	C	C	.	.	H	α-helix	trans	-59.9	-44.8	172.8	-172.8	0	0	0	0	111.5	T222 M264 F515 G522 L523	T222-C519 HydrophobicContact CG2-CB 4.32Å; T222-C519 PolarHBondContact OG1-N 2.92Å; M264-C519 WeakPolarHBondContact CE-O 3.46Å; F515-C519 VanDerWaalsContact O-CB 3.29Å; F515-C519 WeakPolarHBondContact O-CB 3.45Å; F515-C519 PolarHBondContact O-N 3.46Å; F515-C519 VanDerWaalsContact O-N 3.07Å; C519-G522 PolarHBondContact O-N 2.99Å; C519-L523 PolarHBondContact O-N 2.78Å
520	G	90.1	Very high	91.9	Very high	4 Å²	4	16.1 Å²	16.1	4%	0.041	9%	0.089	C	C	.	.	H	α-helix	trans	-61.5	-45.4	176.2	0	0	0	0	0	113.2	F516 S517 T518 G522 L523 Q524	F516-G520 PolarHBondContact O-N 3.48Å; S517-G520 PolarHBondContact O-N 2.93Å; T518-G520 VanDerWaalsContact C-N 3.35Å; T518-G520 PolarHBondContact O-N 3.31Å; G520-G522 VanDerWaalsContact C-N 3.35Å; G520-G522 PolarHBondContact O-N 3.36Å; G520-L523 PolarHBondContact O-N 3.37Å; G520-Q524 WeakPolarHBondContact O-CB 3.45Å; G520-Q524 PolarHBondContact O-N 3.2Å
521	A	91.2	Very high	91.8	Very high	11 Å²	11	17.3 Å²	17.3	9%	0.091	9%	0.093	C	C	.	.	H	α-helix	trans	-64.3	-38.4	176.2	0	0	0	0	0	112.1	Y218 S517 T518 Q524 S525	Y218-A521 HydrophobicContact CD1-CB 4.03Å; Y218-A521 HydrophobicContact CD2-CB 3.66Å; Y218-A521 HydrophobicContact CE1-CB 4.11Å; Y218-A521 HydrophobicContact CE2-CB 3.75Å; Y218-A521 HydrophobicContact CG-CB 3.82Å; S517-A521 WeakPolarHBondContact O-CB 3.44Å; S517-A521 PolarHBondContact O-N 3.37Å; T518-A521 PolarHBondContact O-N 2.99Å; A521-Q524 PolarHBondContact O-N 3.42Å; A521-S525 PolarHBondContact O-N 3.14Å; A521-S525 PolarHBondContact O-OG 3.44Å
522	G	92.1	Very high	91.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.8	-48	172.9	0	0	0	0	0	112.4	T518 C519 G520 Q524 S525 L526	T518-G522 PolarHBondContact O-N 3.43Å; C519-G522 PolarHBondContact O-N 2.99Å; G520-G522 VanDerWaalsContact C-N 3.35Å; G520-G522 PolarHBondContact O-N 3.36Å; G522-Q524 VanDerWaalsContact C-N 3.28Å; G522-Q524 PolarHBondContact O-N 2.96Å; G522-S525 PolarHBondContact O-N 3.21Å; G522-L526 WeakPolarHBondContact O-CB 3.48Å; G522-L526 PolarHBondContact O-N 3.48Å
523	L	91.2	Very high	91.8	Very high	18 Å²	18	13.8 Å²	13.8	9%	0.094	8%	0.075	C	C	.	.	H	α-helix	trans	-59.9	-40.3	175.7	-76.6	174.5	0	0	0	111.4	M264 V267 V268 V275 F282 C519 G520 L526 T527	M264-L523 HydrophobicContact CB-CD2 3.91Å; M264-L523 HydrophobicContact CE-CB 4.21Å; M264-L523 HydrophobicContact CE-CD2 3.85Å; M264-L523 HydrophobicContact CE-CG 3.53Å; M264-L523 VanDerWaalsContact CE-N 3.28Å; M264-L523 HydrophobicContact CG-CD2 3.96Å; V267-L523 HydrophobicContact CG1-CD2 4.46Å; V268-L523 HydrophobicContact CG2-CD2 4.3Å; V275-L523 HydrophobicContact CG1-CB 4.02Å; V275-L523 HydrophobicContact CG1-CD1 4.38Å; F282-L523 HydrophobicContact CE2-CD1 4.31Å; F282-L523 HydrophobicContact CZ-CD1 4.24Å; C519-L523 PolarHBondContact O-N 2.78Å; G520-L523 PolarHBondContact O-N 3.37Å; L523-L526 PolarHBondContact O-N 2.9Å; L523-T527 VanDerWaalsContact O-CG2 3.3Å; L523-T527 WeakPolarHBondContact O-CG2 3.37Å; L523-T527 PolarHBondContact O-N 3.01Å; L523-T527 PolarHBondContact O-OG1 3.3Å
524	Q	89.8	Confident	91.9	Very high	11 Å²	11	13.7 Å²	13.7	5%	0.051	7%	0.073	C	C	.	.	H	α-helix	trans	-67.4	-43	-179.8	-161.2	-164.3	-23.1	0	0	112.1	N93 N133 G520 A521 G522 L526 T527 G528	N93-Q524 PolarHBondContact ND2-OE1 3.06Å; N133-Q524 PolarHBondContact ND2-NE2 3.01Å; N133-Q524 PolarHBondContact ND2-OE1 3.16Å; N133-Q524 PolarHBondContact OD1-NE2 2.86Å; N133-Q524 PolarHBondContact OD1-OE1 2.68Å; G520-Q524 WeakPolarHBondContact O-CB 3.45Å; G520-Q524 PolarHBondContact O-N 3.2Å; A521-Q524 PolarHBondContact O-N 3.42Å; G522-Q524 VanDerWaalsContact C-N 3.28Å; G522-Q524 PolarHBondContact O-N 2.96Å; Q524-L526 VanDerWaalsContact C-N 3.32Å; Q524-L526 PolarHBondContact O-N 3.47Å; Q524-T527 WeakPolarHBondContact CA-OG1 3.5Å; Q524-T527 PolarHBondContact O-N 3.33Å; Q524-T527 PolarHBondContact O-OG1 2.97Å; Q524-G528 PolarHBondContact O-N 3.44Å
525	S	91.8	Very high	91.8	Very high	11 Å²	11	13.9 Å²	13.9	8%	0.077	7%	0.074	C	C	.	.	H	α-helix	trans	-61.8	-40.8	174	-66.7	0	0	0	0	111.9	A521 G522 T527 G528 A529	A521-S525 PolarHBondContact O-N 3.14Å; A521-S525 PolarHBondContact O-OG 3.44Å; G522-S525 PolarHBondContact O-N 3.21Å; S525-T527 VanDerWaalsContact C-N 3.27Å; S525-T527 PolarHBondContact O-N 3.01Å; S525-G528 PolarHBondContact O-N 3.25Å; S525-A529 WeakPolarHBondContact O-CB 3.23Å; S525-A529 PolarHBondContact O-N 3.04Å
526	L	92.3	Very high	91.7	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-70.6	-18.8	178.8	-127.6	74.6	0	0	0	113.9	L261 M264 A265 V268 G522 L523 Q524 P530	L261-L526 HydrophobicContact CD1-CD1 3.87Å; L261-L526 HydrophobicContact CD1-CD2 3.97Å; M264-L526 HydrophobicContact CB-CD2 4Å; A265-L526 HydrophobicContact CB-CD2 4.02Å; V268-L526 HydrophobicContact CG2-CB 4.37Å; G522-L526 WeakPolarHBondContact O-CB 3.48Å; G522-L526 PolarHBondContact O-N 3.48Å; L523-L526 PolarHBondContact O-N 2.9Å; Q524-L526 VanDerWaalsContact C-N 3.32Å; Q524-L526 PolarHBondContact O-N 3.47Å; L526-P530 VanDerWaalsContact O-CD 3.24Å; L526-P530 WeakPolarHBondContact O-CD 3.24Å; L526-P530 WeakPolarHBondContact O-CG 3.31Å
527	T	90.9	Very high	91.8	Very high	3 Å²	3	7.7 Å²	7.7	2%	0.018	5%	0.048	C	C	.	.	H	α-helix	trans	-92.6	-35.5	171.8	54.9	0	0	0	0	111.8	L94 V268 V272 L523 Q524 S525 R531	L94-T527 HydrophobicContact CD2-CG2 3.79Å; L94-T527 VanDerWaalsContact CD2-OG1 3.31Å; L94-T527 WeakPolarHBondContact CD2-OG1 3.4Å; V268-T527 HydrophobicContact CB-CG2 4.24Å; V268-T527 HydrophobicContact CG1-CG2 3.74Å; V268-T527 HydrophobicContact CG2-CG2 3.53Å; V272-T527 HydrophobicContact CG1-CG2 4.09Å; V272-T527 HydrophobicContact CG2-CG2 4.3Å; L523-T527 VanDerWaalsContact O-CG2 3.3Å; L523-T527 WeakPolarHBondContact O-CG2 3.37Å; L523-T527 PolarHBondContact O-N 3.01Å; L523-T527 PolarHBondContact O-OG1 3.3Å; Q524-T527 WeakPolarHBondContact CA-OG1 3.5Å; Q524-T527 PolarHBondContact O-N 3.33Å; Q524-T527 PolarHBondContact O-OG1 2.97Å; S525-T527 VanDerWaalsContact C-N 3.27Å; S525-T527 PolarHBondContact O-N 3.01Å; T527-R531 WeakPolarHBondContact O-CG 3.46Å
528	G	89.2	Confident	91.7	Very high	9 Å²	9	11.5 Å²	11.5	9%	0.093	6%	0.061	C	C	.	.	H	α-helix	trans	-76.6	-44.5	-175.2	0	0	0	0	0	114.8	Q524 S525 R531 L532	Q524-G528 PolarHBondContact O-N 3.44Å; S525-G528 PolarHBondContact O-N 3.25Å; G528-R531 PolarHBondContact O-N 2.87Å; G528-L532 WeakPolarHBondContact O-CB 3.19Å; G528-L532 PolarHBondContact O-N 3.44Å
529	A	93.2	Very high	91.4	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-60.4	-45.4	179.6	0	0	0	0	0	112.9	Y208 T211 S525 R531 L532 L533 T564	Y208-A529 HydrophobicContact CD2-CB 3.89Å; Y208-A529 VanDerWaalsContact CD2-O 3.29Å; Y208-A529 WeakPolarHBondContact CD2-O 3.44Å; Y208-A529 HydrophobicContact CE2-CB 4Å; T211-A529 HydrophobicContact CG2-CB 4.02Å; S525-A529 WeakPolarHBondContact O-CB 3.23Å; S525-A529 PolarHBondContact O-N 3.04Å; A529-R531 PolarHBondContact O-N 3.22Å; A529-L532 PolarHBondContact O-N 2.83Å; A529-L533 PolarHBondContact O-N 2.67Å; A529-T564 HydrophobicContact CB-CG2 3.82Å
530	P	93.7	Very high	91.1	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.013	7%	0.068	C	C	.	.	H	α-helix	trans	-62.2	-39.9	176.2	-24.9	35	0	0	0	113.6	L526 L532 L533 Q534 P557 A560 L561 T564	L526-P530 VanDerWaalsContact O-CD 3.24Å; L526-P530 WeakPolarHBondContact O-CD 3.24Å; L526-P530 WeakPolarHBondContact O-CG 3.31Å; P530-L532 VanDerWaalsContact C-N 3.35Å; P530-L533 PolarHBondContact O-N 3.43Å; P530-Q534 WeakPolarHBondContact O-CB 3.39Å; P530-Q534 PolarHBondContact O-N 2.51Å; P530-P557 HydrophobicContact CB-CB 4.27Å; P530-P557 HydrophobicContact CB-CG 3.48Å; P530-P557 VanDerWaalsContact CB-CG 3.48Å; P530-A560 HydrophobicContact CB-CB 4.12Å; P530-L561 HydrophobicContact CB-CB 4.27Å; P530-L561 HydrophobicContact CG-CB 4.18Å; P530-L561 HydrophobicContact CG-CD1 3.77Å; P530-T564 HydrophobicContact CG-CG2 4.16Å; P530-T564 WeakPolarHBondContact CG-OG1 3.34Å
531	R	91.3	Very high	90.9	Very high	26 Å²	26	13 Å²	13	10%	0.098	7%	0.071	C	C	.	.	H	α-helix	trans	-65.5	-38.8	178.5	-74.6	178.8	176.1	-165.5	-3.2	111.7	P95 T527 G528 A529 Q534 A535 E556 P557	P95-R531 WeakPolarHBondContact O-CD 3.36Å; P95-R531 PolarHBondContact O-NH1 3.27Å; T527-R531 WeakPolarHBondContact O-CG 3.46Å; G528-R531 PolarHBondContact O-N 2.87Å; A529-R531 PolarHBondContact O-N 3.22Å; R531-Q534 PolarHBondContact O-N 2.81Å; R531-A535 PolarHBondContact O-N 3.43Å; R531-E556 IonicContact CZ-OE1 2.73Å; R531-E556 IonicContact CZ-OE2 2.8Å; R531-E556 IonicContact NE-OE2 2.63Å; R531-E556 PolarHBondContact NE-OE2 3.44Å; R531-E556 IonicContact NH2-OE1 3.99Å; R531-E556 PolarHBondContact NH2-OE1 3.37Å; R531-E556 IonicContact NH2-OE2 2.73Å; R531-E556 PolarHBondContact NH2-OE2 3.12Å; R531-P557 HydrophobicContact CG-CG 4.4Å
532	L	92.1	Very high	90.7	Very high	15 Å²	15	12.7 Å²	12.7	8%	0.079	7%	0.067	C	C	.	.	H	α-helix	trans	-63.8	-46.8	173.7	177.1	62.3	0	0	0	111.8	Y188 F207 G528 A529 P530 Q534 A535 I536	Y188-L532 HydrophobicContact CD2-CD1 4.19Å; Y188-L532 HydrophobicContact CG-CD1 4.01Å; F207-L532 HydrophobicContact CB-CD2 4.09Å; F207-L532 HydrophobicContact CD1-CD1 4.32Å; F207-L532 HydrophobicContact CD1-CD2 3.29Å; F207-L532 HydrophobicContact CD1-CG 4.44Å; F207-L532 HydrophobicContact CE1-CD2 3.93Å; F207-L532 HydrophobicContact CG-CD2 3.93Å; G528-L532 WeakPolarHBondContact O-CB 3.19Å; G528-L532 PolarHBondContact O-N 3.44Å; A529-L532 PolarHBondContact O-N 2.83Å; P530-L532 VanDerWaalsContact C-N 3.35Å; L532-Q534 VanDerWaalsContact C-N 3.29Å; L532-Q534 PolarHBondContact O-N 3.18Å; L532-A535 PolarHBondContact O-N 3.26Å; L532-I536 HydrophobicContact CD1-CD1 4.26Å; L532-I536 HydrophobicContact CG-CD1 4.1Å; L532-I536 WeakPolarHBondContact O-CG1 3.19Å; L532-I536 PolarHBondContact O-N 3.28Å
533	L	94.2	Very high	90.4	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.01	8%	0.08	C	C	.	.	H	α-helix	trans	-64.7	-35.6	177.7	-177.6	62.3	0	0	0	112.1	Y208 A529 P530 I536 S537 L545 F548 A560 L563	Y208-L533 HydrophobicContact CD2-CB 3.85Å; Y208-L533 HydrophobicContact CE1-CD2 4.34Å; Y208-L533 HydrophobicContact CE2-CB 3.82Å; Y208-L533 HydrophobicContact CE2-CD2 3.92Å; Y208-L533 HydrophobicContact CE2-CG 4.38Å; Y208-L533 HydrophobicContact CG-CB 4.47Å; A529-L533 PolarHBondContact O-N 2.67Å; P530-L533 PolarHBondContact O-N 3.43Å; L533-I536 PolarHBondContact O-N 2.99Å; L533-S537 WeakPolarHBondContact O-CB 3.29Å; L533-S537 PolarHBondContact O-N 3.4Å; L533-S537 PolarHBondContact O-OG 3.39Å; L533-L545 HydrophobicContact CD1-CD1 4.31Å; L533-F548 HydrophobicContact CD2-CB 4.1Å; L533-F548 HydrophobicContact CD2-CD2 4.42Å; L533-F548 HydrophobicContact CD2-CG 4.09Å; L533-F548 HydrophobicContact CG-CB 4.14Å; L533-A560 HydrophobicContact CB-CB 4.17Å; L533-A560 HydrophobicContact CD2-CB 3.88Å; L533-A560 HydrophobicContact CG-CB 4.2Å; L533-L563 HydrophobicContact CD2-CD2 3.68Å
534	Q	93.6	Very high	90.4	Very high	3 Å²	3	20.2 Å²	20.2	1%	0.014	10%	0.104	C	C	.	.	H	α-helix	trans	-64.2	-41.4	173.4	-169.1	-170.7	35.6	0	0	111.9	S98 P530 R531 L532 S537 R538 G555 P557	S98-Q534 PolarHBondContact OG-OE1 3.33Å; P530-Q534 WeakPolarHBondContact O-CB 3.39Å; P530-Q534 PolarHBondContact O-N 2.51Å; R531-Q534 PolarHBondContact O-N 2.81Å; L532-Q534 VanDerWaalsContact C-N 3.29Å; L532-Q534 PolarHBondContact O-N 3.18Å; Q534-S537 VanDerWaalsContact CA-OG 3.27Å; Q534-S537 WeakPolarHBondContact CA-OG 3.48Å; Q534-S537 PolarHBondContact O-N 3.38Å; Q534-S537 PolarHBondContact O-OG 3.38Å; Q534-R538 WeakPolarHBondContact O-CB 3.38Å; Q534-R538 WeakPolarHBondContact O-CG 3.48Å; Q534-R538 PolarHBondContact O-N 3.15Å; Q534-G555 PolarHBondContact NE2-O 3.24Å; Q534-G555 PolarHBondContact OE1-O 3.44Å; Q534-G555 VanDerWaalsContact OE1-O 3.14Å; Q534-P557 HydrophobicContact CB-CB 4.12Å; Q534-P557 HydrophobicContact CG-CB 4.3Å
535	A	91	Very high	90.5	Very high	4 Å²	4	20.5 Å²	20.5	3%	0.033	11%	0.105	C	C	.	.	H	α-helix	trans	-63.3	-45.5	175.7	0	0	0	0	0	111.7	Y188 Y189 R531 L532 S537 R538 D539	Y188-A535 HydrophobicContact CD1-CB 3.66Å; Y188-A535 HydrophobicContact CE1-CB 4.07Å; Y188-A535 HydrophobicContact CG-CB 4.47Å; Y189-A535 HydrophobicContact CE2-CB 3.71Å; R531-A535 PolarHBondContact O-N 3.43Å; L532-A535 PolarHBondContact O-N 3.26Å; A535-S537 VanDerWaalsContact C-N 3.33Å; A535-S537 PolarHBondContact O-N 3.42Å; A535-R538 PolarHBondContact O-N 3.36Å; A535-D539 PolarHBondContact O-N 3.46Å
536	I	92.3	Very high	90.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-58.3	-43.9	175.9	-70.2	164.8	0	0	0	111.9	Y188 G204 L205 L532 L533 I541 L545	Y188-I536 HydrophobicContact CD2-CG1 3.9Å; Y188-I536 HydrophobicContact CE1-CG1 4.29Å; Y188-I536 HydrophobicContact CE2-CD1 4.42Å; Y188-I536 HydrophobicContact CE2-CG1 3.46Å; Y188-I536 VanDerWaalsContact CE2-CG1 3.46Å; Y188-I536 HydrophobicContact CG-CG1 4.48Å; G204-I536 VanDerWaalsContact C-CD1 3.47Å; L205-I536 HydrophobicContact CD2-CD1 4.35Å; L205-I536 HydrophobicContact CD2-CG2 4.4Å; L205-I536 HydrophobicContact CG-CD1 4.49Å; L532-I536 HydrophobicContact CD1-CD1 4.26Å; L532-I536 HydrophobicContact CG-CD1 4.1Å; L532-I536 WeakPolarHBondContact O-CG1 3.19Å; L532-I536 PolarHBondContact O-N 3.28Å; L533-I536 PolarHBondContact O-N 2.99Å; I536-I541 HydrophobicContact CG2-CD1 4.05Å; I536-I541 HydrophobicContact CG2-CG1 4.3Å; I536-L545 HydrophobicContact CG2-CD1 4.32Å
537	S	92.5	Very high	90.4	Very high	5 Å²	5	29.9 Å²	29.9	4%	0.035	16%	0.155	C	C	.	.	H	α-helix	trans	-72.3	-33.1	-178.8	50.1	0	0	0	0	112.9	L533 Q534 A535 G540 L545 G549	L533-S537 WeakPolarHBondContact O-CB 3.29Å; L533-S537 PolarHBondContact O-N 3.4Å; L533-S537 PolarHBondContact O-OG 3.39Å; Q534-S537 VanDerWaalsContact CA-OG 3.27Å; Q534-S537 WeakPolarHBondContact CA-OG 3.48Å; Q534-S537 PolarHBondContact O-N 3.38Å; Q534-S537 PolarHBondContact O-OG 3.38Å; A535-S537 VanDerWaalsContact C-N 3.33Å; A535-S537 PolarHBondContact O-N 3.42Å; S537-G540 PolarHBondContact O-N 3.27Å; S537-L545 WeakPolarHBondContact CB-O 3.35Å; S537-G549 WeakPolarHBondContact OG-CA 3.25Å; S537-G549 PolarHBondContact OG-N 3.49Å
538	R	89.1	Confident	90.5	Very high	86 Å²	86	31.8 Å²	31.8	33%	0.325	16%	0.163	S	C	.	.	H	α-helix	trans	-73.1	-31.7	174.5	-76.3	-165.4	-177.6	-173.8	1.1	113.9	S98 E102 Q534 A535 G540 G549	S98-R538 PolarHBondContact OG-NH1 3Å; E102-R538 IonicContact OE1-CZ 3.1Å; E102-R538 IonicContact OE1-NE 3.7Å; E102-R538 IonicContact OE1-NH1 2.71Å; E102-R538 PolarHBondContact OE1-NH1 3.35Å; E102-R538 IonicContact OE2-NH1 3.35Å; E102-R538 PolarHBondContact OE2-NH1 3.34Å; Q534-R538 WeakPolarHBondContact O-CB 3.38Å; Q534-R538 WeakPolarHBondContact O-CG 3.48Å; Q534-R538 PolarHBondContact O-N 3.15Å; A535-R538 PolarHBondContact O-N 3.36Å; R538-G540 PolarHBondContact O-N 3.08Å; R538-G540 VanDerWaalsContact O-N 3.16Å; R538-G549 PolarHBondContact NE-O 3.11Å
539	D	86	Confident	90.5	Very high	29 Å²	29	31.9 Å²	31.9	16%	0.155	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-16.8	170.8	-98	0	0	0	0	112	Y188 Y189 R193 A535 I541	Y188-D539 HydrophobicContact CE1-CB 4.35Å; Y188-D539 VanDerWaalsContact CE1-OD2 3.26Å; Y188-D539 WeakPolarHBondContact CE1-OD2 3.4Å; Y188-D539 PolarHBondContact OH-OD2 3.24Å; Y188-D539 VanDerWaalsContact OH-OD2 3.09Å; Y189-D539 WeakPolarHBondContact CE1-OD1 3.47Å; R193-D539 IonicContact CZ-OD1 3.31Å; R193-D539 IonicContact NH1-OD2 3.78Å; R193-D539 IonicContact NH2-OD1 2.76Å; R193-D539 PolarHBondContact NH2-OD1 3.2Å; A535-D539 PolarHBondContact O-N 3.46Å; D539-I541 HydrophobicContact CB-CG2 4.38Å; D539-I541 PolarHBondContact O-N 3.14Å
540	G	85.1	Confident	90.4	Very high	19 Å²	19	37.4 Å²	37.4	20%	0.196	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	18.4	172.3	0	0	0	0	0	114	S537 R538 V542	S537-G540 PolarHBondContact O-N 3.27Å; R538-G540 PolarHBondContact O-N 3.08Å; R538-G540 VanDerWaalsContact O-N 3.16Å; G540-V542 VanDerWaalsContact C-N 3.3Å; G540-V542 PolarHBondContact O-N 3.44Å
541	I	85.9	Confident	89.9	Confident	19 Å²	19	38.1 Å²	38.1	10%	0.097	20%	0.197	C	C	.	.	S	Bend	trans	-69	-27.8	179.5	48.6	159.3	0	0	0	113	Y188 P197 I536 D539 I655	Y188-I541 WeakPolarHBondContact OH-CD1 3.35Å; P197-I541 HydrophobicContact CB-CG2 3.9Å; I536-I541 HydrophobicContact CG2-CD1 4.05Å; I536-I541 HydrophobicContact CG2-CG1 4.3Å; D539-I541 HydrophobicContact CB-CG2 4.38Å; D539-I541 PolarHBondContact O-N 3.14Å; I541-I655 HydrophobicContact CB-CG2 4.22Å; I541-I655 HydrophobicContact CD1-CD1 4.38Å
542	V	87.8	Confident	89.6	Confident	3 Å²	3	40.6 Å²	40.6	2%	0.018	21%	0.208	C	C	.	.	S	Bend	trans	-126.7	100.1	-179.2	-177.4	0	0	0	0	108.8	G540 F544 L545 Y654 I655	G540-V542 VanDerWaalsContact C-N 3.3Å; G540-V542 PolarHBondContact O-N 3.44Å; V542-F544 VanDerWaalsContact C-N 3.3Å; V542-F544 HydrophobicContact CG1-CD1 3.47Å; V542-F544 VanDerWaalsContact CG1-CD1 3.47Å; V542-F544 HydrophobicContact CG1-CD2 4.17Å; V542-F544 HydrophobicContact CG1-CE1 3.07Å; V542-F544 HydrophobicContact CG1-CE2 3.82Å; V542-F544 HydrophobicContact CG1-CG 4.01Å; V542-F544 HydrophobicContact CG1-CZ 3.26Å; V542-F544 PolarHBondContact O-N 2.9Å; V542-L545 HydrophobicContact CB-CB 4.29Å; V542-L545 HydrophobicContact CB-CD1 3.91Å; V542-L545 HydrophobicContact CB-CG 4.13Å; V542-L545 HydrophobicContact CG1-CB 4.24Å; V542-L545 HydrophobicContact CG1-CD1 3.79Å; V542-L545 HydrophobicContact CG1-CG 3.71Å; V542-L545 HydrophobicContact CG2-CD1 4.39Å; V542-L545 PolarHBondContact O-N 3.14Å; V542-Y654 HydrophobicContact CG1-CE1 4.34Å; V542-I655 HydrophobicContact CG2-CD1 4.33Å; V542-I655 HydrophobicContact CG2-CG1 4.05Å
543	P	85.9	Confident	89.1	Confident	40 Å²	40	44.7 Å²	44.7	26%	0.26	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-58.5	-36.2	-169.6	-29.4	36.3	0	0	0	114.7	L545 Q546	P543-L545 PolarHBondContact O-N 3.2Å; P543-Q546 WeakPolarHBondContact O-CB 3.31Å; P543-Q546 VanDerWaalsContact O-CG 3.23Å; P543-Q546 WeakPolarHBondContact O-CG 3.14Å; P543-Q546 PolarHBondContact O-N 3.19Å
544	F	90.5	Very high	88.4	Confident	136 Å²	136	49.5 Å²	49.5	60%	0.596	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-71.8	-17.1	-179.9	66.2	-98.5	0	0	0	113.5	V542 Y654	V542-F544 VanDerWaalsContact C-N 3.3Å; V542-F544 HydrophobicContact CG1-CD1 3.47Å; V542-F544 VanDerWaalsContact CG1-CD1 3.47Å; V542-F544 HydrophobicContact CG1-CD2 4.17Å; V542-F544 HydrophobicContact CG1-CE1 3.07Å; V542-F544 HydrophobicContact CG1-CE2 3.82Å; V542-F544 HydrophobicContact CG1-CG 4.01Å; V542-F544 HydrophobicContact CG1-CZ 3.26Å; V542-F544 PolarHBondContact O-N 2.9Å; F544-Y654 HydrophobicContact CE1-CE1 4.16Å
545	L	91.7	Very high	87.8	Confident	17 Å²	17	49.9 Å²	49.9	9%	0.089	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-86.2	-4.6	176	-65.8	-179.9	0	0	0	113.1	L205 L533 I536 S537 V542 P543 V547 F548	L205-L545 HydrophobicContact CD2-CD1 3.8Å; L533-L545 HydrophobicContact CD1-CD1 4.31Å; I536-L545 HydrophobicContact CG2-CD1 4.32Å; S537-L545 WeakPolarHBondContact CB-O 3.35Å; V542-L545 HydrophobicContact CB-CB 4.29Å; V542-L545 HydrophobicContact CB-CD1 3.91Å; V542-L545 HydrophobicContact CB-CG 4.13Å; V542-L545 HydrophobicContact CG1-CB 4.24Å; V542-L545 HydrophobicContact CG1-CD1 3.79Å; V542-L545 HydrophobicContact CG1-CG 3.71Å; V542-L545 HydrophobicContact CG2-CD1 4.39Å; V542-L545 PolarHBondContact O-N 3.14Å; P543-L545 PolarHBondContact O-N 3.2Å; L545-V547 PolarHBondContact O-N 3.08Å; L545-V547 VanDerWaalsContact O-N 3.11Å; L545-F548 HydrophobicContact CB-CD2 4.27Å; L545-F548 HydrophobicContact CD2-CD2 3.71Å; L545-F548 HydrophobicContact CD2-CE2 3.73Å; L545-F548 WeakPolarHBondContact O-CB 3.28Å; L545-F548 WeakPolarHBondContact O-CD2 3.37Å; L545-F548 PolarHBondContact O-N 3.41Å
546	Q	89.7	Confident	87.6	Confident	113 Å²	113	52 Å²	52	53%	0.528	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-57.3	-29.8	-176.7	-74.1	177.3	-7	0	0	113.7	P543 F548 G549	P543-Q546 WeakPolarHBondContact O-CB 3.31Å; P543-Q546 VanDerWaalsContact O-CG 3.23Å; P543-Q546 WeakPolarHBondContact O-CG 3.14Å; P543-Q546 PolarHBondContact O-N 3.19Å; Q546-F548 PolarHBondContact O-N 3.44Å; Q546-G549 PolarHBondContact O-N 2.91Å
547	V	92.9	Very high	87.5	Confident	97 Å²	97	52.5 Å²	52.5	59%	0.588	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-57.9	-33	176.4	-178.4	0	0	0	0	111.7	L545 G549	L545-V547 PolarHBondContact O-N 3.08Å; L545-V547 VanDerWaalsContact O-N 3.11Å; V547-G549 PolarHBondContact O-N 2.83Å
548	F	93.8	Very high	87.5	Confident	43 Å²	43	53.7 Å²	53.7	19%	0.189	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-78.3	-5.9	-179.9	-56.5	-64.8	0	0	0	113.8	L533 L545 Q546 H550 W559 A560 L563	L533-F548 HydrophobicContact CD2-CB 4.1Å; L533-F548 HydrophobicContact CD2-CD2 4.42Å; L533-F548 HydrophobicContact CD2-CG 4.09Å; L533-F548 HydrophobicContact CG-CB 4.14Å; L545-F548 HydrophobicContact CB-CD2 4.27Å; L545-F548 HydrophobicContact CD2-CD2 3.71Å; L545-F548 HydrophobicContact CD2-CE2 3.73Å; L545-F548 WeakPolarHBondContact O-CB 3.28Å; L545-F548 WeakPolarHBondContact O-CD2 3.37Å; L545-F548 PolarHBondContact O-N 3.41Å; Q546-F548 PolarHBondContact O-N 3.44Å; F548-H550 PolarHBondContact O-N 3.26Å; F548-W559 HydrophobicContact CD1-CB 3.85Å; F548-W559 HydrophobicContact CE1-CB 4.4Å; F548-A560 HydrophobicContact CB-CB 4.25Å; F548-L563 HydrophobicContact CD1-CB 4.44Å; F548-L563 HydrophobicContact CD1-CD2 4.4Å; F548-L563 HydrophobicContact CE1-CB 3.99Å; F548-L563 HydrophobicContact CE1-CD2 3.94Å; F548-L563 HydrophobicContact CE1-CG 4.43Å; F548-L563 HydrophobicContact CE2-CD2 4.07Å; F548-L563 HydrophobicContact CZ-CD2 3.77Å
549	G	88.4	Confident	87.7	Confident	11 Å²	11	56 Å²	56	11%	0.113	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-76.5	-11.5	176.2	0	0	0	0	0	114	S537 R538 Q546 V547	S537-G549 WeakPolarHBondContact OG-CA 3.25Å; S537-G549 PolarHBondContact OG-N 3.49Å; R538-G549 PolarHBondContact NE-O 3.11Å; Q546-G549 PolarHBondContact O-N 2.91Å; V547-G549 PolarHBondContact O-N 2.83Å
550	H	90.5	Very high	88.1	Confident	115 Å²	115	54.6 Å²	54.6	53%	0.532	30%	0.296	S	S	.	.			trans	-66.4	132.1	178.2	-168.3	84.6	0	0	0	111.3	F548 T558	F548-H550 PolarHBondContact O-N 3.26Å; H550-T558 PolarHBondContact O-N 2.84Å
551	G	84.2	Confident	88.6	Confident	18 Å²	18	54.2 Å²	54.2	19%	0.186	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-138.9	160.6	176.5	0	0	0	0	0	111.7	E556	G551-E556 CarbonylContact C-O 3.42Å; G551-E556 WeakPolarHBondContact CA-O 3.36Å
552	K	85.5	Confident	89	Confident	77 Å²	77	57.9 Å²	57.9	34%	0.335	31%	0.309	S	S	.	.			trans	-61.1	167	170.2	-65.6	-178.2	-178.3	176.6	0	109.8	F269 N554 G555 E556 T558	F269-K552 VanDerWaalsContact CE1-NZ 3.34Å; F269-K552 VanDerWaalsContact CZ-NZ 3.29Å; F269-K552 PolarHBondContact O-NZ 2.89Å; K552-N554 PolarHBondContact O-N 3.29Å; K552-G555 PolarHBondContact O-N 3.03Å; K552-E556 PolarHBondContact N-O 2.95Å; K552-T558 HydrophobicContact CG-CG2 3.81Å
553	A	81.6	Confident	89.4	Confident	102 Å²	102	60.2 Å²	60.2	84%	0.843	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-24.5	174.9	0	0	0	0	0	113.8	R99 G555	R99-A553 PolarHBondContact NH1-O 2.79Å; A553-G555 VanDerWaalsContact C-N 3.28Å; A553-G555 PolarHBondContact O-N 2.89Å
554	N	77.7	Confident	89.9	Confident	103 Å²	103	58.3 Å²	58.3	55%	0.551	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-5.7	177.5	-62.1	-0.8	0	0	0	113.5	R99 K552 E556	R99-N554 WeakPolarHBondContact CD-O 3.4Å; R99-N554 PolarHBondContact NH1-O 3.02Å; K552-N554 PolarHBondContact O-N 3.29Å; N554-E556 HydrophobicContact CB-CG 4.46Å
555	G	81.3	Confident	90.2	Very high	10 Å²	10	52.7 Å²	52.7	10%	0.103	29%	0.287	C	S	.	.	S	Bend	trans	94.6	-15.1	-173.5	0	0	0	0	0	114	Q534 K552 A553	Q534-G555 PolarHBondContact NE2-O 3.24Å; Q534-G555 PolarHBondContact OE1-O 3.44Å; Q534-G555 VanDerWaalsContact OE1-O 3.14Å; K552-G555 PolarHBondContact O-N 3.03Å; A553-G555 VanDerWaalsContact C-N 3.28Å; A553-G555 PolarHBondContact O-N 2.89Å
556	E	86.7	Confident	90.4	Very high	49 Å²	49	55.2 Å²	55.2	23%	0.229	31%	0.305	C	S	.	.			trans	-67.1	130.1	-174.6	-60.2	-62.4	168.3	0	0	112.7	V272 R531 G551 K552 N554	V272-E556 HydrophobicContact CG2-CG 4.42Å; V272-E556 WeakPolarHBondContact CG2-OE2 3.44Å; R531-E556 IonicContact CZ-OE1 2.73Å; R531-E556 IonicContact CZ-OE2 2.8Å; R531-E556 IonicContact NE-OE2 2.63Å; R531-E556 PolarHBondContact NE-OE2 3.44Å; R531-E556 IonicContact NH2-OE1 3.99Å; R531-E556 PolarHBondContact NH2-OE1 3.37Å; R531-E556 IonicContact NH2-OE2 2.73Å; R531-E556 PolarHBondContact NH2-OE2 3.12Å; G551-E556 CarbonylContact C-O 3.42Å; G551-E556 WeakPolarHBondContact CA-O 3.36Å; K552-E556 PolarHBondContact N-O 2.95Å; N554-E556 HydrophobicContact CB-CG 4.46Å
557	P	91.1	Very high	90.7	Very high	10 Å²	10	51.2 Å²	51.2	7%	0.065	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-74.4	140.4	-176.1	28.9	-34.6	0	0	0	112.7	P530 R531 Q534 A560	P530-P557 HydrophobicContact CB-CB 4.27Å; P530-P557 HydrophobicContact CB-CG 3.48Å; P530-P557 VanDerWaalsContact CB-CG 3.48Å; R531-P557 HydrophobicContact CG-CG 4.4Å; Q534-P557 HydrophobicContact CB-CB 4.12Å; Q534-P557 HydrophobicContact CG-CB 4.3Å; P557-A560 HydrophobicContact CB-CB 3.94Å
558	T	91.5	Very high	90.8	Very high	30 Å²	30	46.6 Å²	46.6	18%	0.184	26%	0.259	C	S	.	.	S	Bend	trans	-103.2	-61.9	178.3	56.8	0	0	0	0	111.9	F269 H550 K552 A560 L561 L562	F269-T558 HydrophobicContact CE2-CG2 4.14Å; H550-T558 PolarHBondContact O-N 2.84Å; K552-T558 HydrophobicContact CG-CG2 3.81Å; T558-A560 VanDerWaalsContact C-N 3.35Å; T558-A560 PolarHBondContact O-N 3.17Å; T558-L561 WeakPolarHBondContact O-CB 3.16Å; T558-L561 PolarHBondContact O-N 3.24Å; T558-L562 PolarHBondContact O-N 3.16Å; T558-L562 VanDerWaalsContact O-N 3.14Å
559	W	94.5	Very high	91	Very high	135 Å²	135	46.5 Å²	46.5	51%	0.511	26%	0.259	S	S	.	.	H	α-helix	trans	-66.7	-35.4	-178.5	-66.1	119.2	0	0	0	112.5	F548 L561 L562 L563	F548-W559 HydrophobicContact CD1-CB 3.85Å; F548-W559 HydrophobicContact CE1-CB 4.4Å; W559-L561 VanDerWaalsContact C-N 3.31Å; W559-L561 PolarHBondContact O-N 3.07Å; W559-L562 HydrophobicContact CE3-CD2 3.9Å; W559-L562 HydrophobicContact CZ3-CD2 3.88Å; W559-L562 PolarHBondContact O-N 3.02Å; W559-L563 PolarHBondContact O-N 3.24Å
560	A	94.8	Very high	91.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-66.2	-34.8	175.7	0	0	0	0	0	112	P530 L533 F548 P557 T558 L563 T564	P530-A560 HydrophobicContact CB-CB 4.12Å; L533-A560 HydrophobicContact CB-CB 4.17Å; L533-A560 HydrophobicContact CD2-CB 3.88Å; L533-A560 HydrophobicContact CG-CB 4.2Å; F548-A560 HydrophobicContact CB-CB 4.25Å; P557-A560 HydrophobicContact CB-CB 3.94Å; T558-A560 VanDerWaalsContact C-N 3.35Å; T558-A560 PolarHBondContact O-N 3.17Å; A560-L563 PolarHBondContact O-N 2.76Å; A560-T564 WeakPolarHBondContact O-CB 3.28Å; A560-T564 PolarHBondContact O-N 3.42Å; A560-T564 PolarHBondContact O-OG1 3.3Å
561	L	94.6	Very high	91.5	Very high	11 Å²	11	45.2 Å²	45.2	6%	0.058	25%	0.253	C	S	.	.	H	α-helix	trans	-66.2	-42.8	174.8	179.3	65.5	0	0	0	111	V268 F269 P530 T558 W559 T564 A565	V268-L561 HydrophobicContact CB-CD1 4.4Å; V268-L561 HydrophobicContact CB-CD2 4.48Å; V268-L561 HydrophobicContact CG1-CD1 3.78Å; V268-L561 HydrophobicContact CG1-CD2 4.02Å; F269-L561 HydrophobicContact CB-CD2 3.83Å; F269-L561 HydrophobicContact CD2-CD2 4.12Å; F269-L561 HydrophobicContact CG-CD2 4.5Å; P530-L561 HydrophobicContact CB-CB 4.27Å; P530-L561 HydrophobicContact CG-CB 4.18Å; P530-L561 HydrophobicContact CG-CD1 3.77Å; T558-L561 WeakPolarHBondContact O-CB 3.16Å; T558-L561 PolarHBondContact O-N 3.24Å; W559-L561 VanDerWaalsContact C-N 3.31Å; W559-L561 PolarHBondContact O-N 3.07Å; L561-T564 PolarHBondContact O-N 3.29Å; L561-A565 WeakPolarHBondContact O-CB 3.33Å; L561-A565 PolarHBondContact O-N 2.7Å
562	L	95.2	Very high	92.1	Very high	96 Å²	96	44.4 Å²	44.4	50%	0.503	24%	0.244	S	C	.	.	H	α-helix	trans	-59.7	-47.2	175.3	-176.8	65.7	0	0	0	111.3	T558 W559 T564 A565 C566	T558-L562 PolarHBondContact O-N 3.16Å; T558-L562 VanDerWaalsContact O-N 3.14Å; W559-L562 HydrophobicContact CE3-CD2 3.9Å; W559-L562 HydrophobicContact CZ3-CD2 3.88Å; W559-L562 PolarHBondContact O-N 3.02Å; L562-T564 VanDerWaalsContact C-N 3.34Å; L562-T564 PolarHBondContact O-N 3.34Å; L562-A565 PolarHBondContact O-N 3.01Å; L562-C566 PolarHBondContact O-N 3.01Å; L562-C566 PolarHBondContact O-SG 3.43Å
563	L	95.4	Very high	92.6	Very high	52 Å²	52	45 Å²	45	27%	0.272	25%	0.25	S	S	.	.	H	α-helix	trans	-62	-42.8	177.4	-175.8	67.2	0	0	0	111.9	L533 F548 W559 A560 A565 C566 I567	L533-L563 HydrophobicContact CD2-CD2 3.68Å; F548-L563 HydrophobicContact CD1-CB 4.44Å; F548-L563 HydrophobicContact CD1-CD2 4.4Å; F548-L563 HydrophobicContact CE1-CB 3.99Å; F548-L563 HydrophobicContact CE1-CD2 3.94Å; F548-L563 HydrophobicContact CE1-CG 4.43Å; F548-L563 HydrophobicContact CE2-CD2 4.07Å; F548-L563 HydrophobicContact CZ-CD2 3.77Å; W559-L563 PolarHBondContact O-N 3.24Å; A560-L563 PolarHBondContact O-N 2.76Å; L563-A565 VanDerWaalsContact C-N 3.34Å; L563-A565 PolarHBondContact O-N 3.31Å; L563-C566 PolarHBondContact O-N 2.89Å; L563-I567 HydrophobicContact CD1-CD1 4.29Å; L563-I567 HydrophobicContact CD1-CG1 4.5Å; L563-I567 HydrophobicContact CD2-CD1 4.5Å; L563-I567 HydrophobicContact CG-CD1 4Å; L563-I567 WeakPolarHBondContact O-CG1 3.14Å; L563-I567 PolarHBondContact O-N 2.92Å
564	T	96.3	Very high	93.1	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.1	-44.5	177.6	-56.7	0	0	0	0	110.6	Y208 T212 A529 P530 A560 L561 L562 I567 C568	Y208-T564 PolarHBondContact OH-OG1 3.04Å; T212-T564 HydrophobicContact CG2-CG2 3.77Å; T212-T564 WeakPolarHBondContact CG2-O 3.39Å; A529-T564 HydrophobicContact CB-CG2 3.82Å; P530-T564 HydrophobicContact CG-CG2 4.16Å; P530-T564 WeakPolarHBondContact CG-OG1 3.34Å; A560-T564 WeakPolarHBondContact O-CB 3.28Å; A560-T564 PolarHBondContact O-N 3.42Å; A560-T564 PolarHBondContact O-OG1 3.3Å; L561-T564 PolarHBondContact O-N 3.29Å; L562-T564 VanDerWaalsContact C-N 3.34Å; L562-T564 PolarHBondContact O-N 3.34Å; T564-I567 PolarHBondContact O-N 2.94Å; T564-C568 WeakPolarHBondContact O-CB 3.3Å; T564-C568 PolarHBondContact O-N 2.86Å
565	A	96.2	Very high	93.8	Very high	18 Å²	18	38.4 Å²	38.4	15%	0.149	20%	0.201	C	C	.	.	H	α-helix	trans	-61.7	-43.5	176	0	0	0	0	0	111.6	L261 A265 L561 L562 L563 I567 C568 E569	L261-A565 WeakPolarHBondContact CD2-O 3.22Å; A265-A565 HydrophobicContact CB-CB 4.5Å; L561-A565 WeakPolarHBondContact O-CB 3.33Å; L561-A565 PolarHBondContact O-N 2.7Å; L562-A565 PolarHBondContact O-N 3.01Å; L563-A565 VanDerWaalsContact C-N 3.34Å; L563-A565 PolarHBondContact O-N 3.31Å; A565-I567 PolarHBondContact O-N 3.23Å; A565-C568 PolarHBondContact O-N 2.9Å; A565-E569 WeakPolarHBondContact O-CB 3.48Å; A565-E569 PolarHBondContact O-N 2.87Å
566	C	96.4	Very high	94.2	Very high	70 Å²	70	39.1 Å²	39.1	47%	0.473	21%	0.205	S	C	.	.	H	α-helix	trans	-62.4	-41.6	176.6	-67.3	0	0	0	0	113.1	L562 L563 E569 I570	L562-C566 PolarHBondContact O-N 3.01Å; L562-C566 PolarHBondContact O-SG 3.43Å; L563-C566 PolarHBondContact O-N 2.89Å; C566-E569 WeakPolarHBondContact O-CB 3.42Å; C566-E569 PolarHBondContact O-N 3.39Å; C566-I570 PolarHBondContact O-N 3.37Å
567	I	96.1	Very high	94.4	Very high	28 Å²	28	37 Å²	37	14%	0.144	20%	0.195	C	C	.	.	H	α-helix	trans	-71.5	-37.5	177.5	-63.3	170.8	0	0	0	110.6	Y208 L209 T212 F213 L563 T564 A565 E569 I570 G571	Y208-I567 HydrophobicContact CE1-CD1 4.01Å; L209-I567 HydrophobicContact CD2-CD1 4.34Å; T212-I567 HydrophobicContact CG2-CB 3.69Å; T212-I567 HydrophobicContact CG2-CG2 3.59Å; F213-I567 HydrophobicContact CE2-CG2 4.21Å; F213-I567 HydrophobicContact CZ-CG2 4.37Å; L563-I567 HydrophobicContact CD1-CD1 4.29Å; L563-I567 HydrophobicContact CD1-CG1 4.5Å; L563-I567 HydrophobicContact CD2-CD1 4.5Å; L563-I567 HydrophobicContact CG-CD1 4Å; L563-I567 WeakPolarHBondContact O-CG1 3.14Å; L563-I567 PolarHBondContact O-N 2.92Å; T564-I567 PolarHBondContact O-N 2.94Å; A565-I567 PolarHBondContact O-N 3.23Å; I567-E569 VanDerWaalsContact C-N 3.3Å; I567-E569 PolarHBondContact O-N 2.99Å; I567-I570 WeakPolarHBondContact O-CB 3.31Å; I567-I570 PolarHBondContact O-N 2.97Å; I567-G571 PolarHBondContact O-N 3.39Å
568	C	95.8	Very high	94.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.2	-40.8	174.8	-167.1	0	0	0	0	111.2	T212 A216 L261 T564 A565 I570 G571 I572	T212-C568 HydrophobicContact CG2-CB 4.32Å; A216-C568 VanDerWaalsContact CA-SG 3.53Å; A216-C568 PolarHBondContact N-SG 3.44Å; L261-C568 HydrophobicContact CD1-CB 4.02Å; L261-C568 HydrophobicContact CD2-CB 4.11Å; T564-C568 WeakPolarHBondContact O-CB 3.3Å; T564-C568 PolarHBondContact O-N 2.86Å; A565-C568 PolarHBondContact O-N 2.9Å; C568-I570 VanDerWaalsContact C-N 3.31Å; C568-I570 PolarHBondContact O-N 2.87Å; C568-G571 WeakPolarHBondContact O-CA 3.29Å; C568-G571 PolarHBondContact O-N 3.46Å; C568-I572 PolarHBondContact O-N 3.45Å
569	E	96.6	Very high	94.5	Very high	42 Å²	42	41 Å²	41	20%	0.196	21%	0.21	C	C	.	.	H	α-helix	trans	-58.8	-39.8	175.1	-176.7	59.2	-157.9	0	0	112.1	T258 L261 A565 C566 I567 G571 I572 L573	T258-E569 PolarHBondContact OG1-OE1 3.47Å; L261-E569 HydrophobicContact CD2-CB 3.92Å; L261-E569 WeakPolarHBondContact CD2-OE2 3.2Å; A565-E569 WeakPolarHBondContact O-CB 3.48Å; A565-E569 PolarHBondContact O-N 2.87Å; C566-E569 WeakPolarHBondContact O-CB 3.42Å; C566-E569 PolarHBondContact O-N 3.39Å; I567-E569 VanDerWaalsContact C-N 3.3Å; I567-E569 PolarHBondContact O-N 2.99Å; E569-G571 VanDerWaalsContact C-N 3.25Å; E569-G571 PolarHBondContact O-N 3.11Å; E569-I572 PolarHBondContact O-N 3.42Å; E569-L573 HydrophobicContact CG-CD1 4.45Å; E569-L573 HydrophobicContact CG-CG 4.49Å; E569-L573 WeakPolarHBondContact O-CG 3.43Å; E569-L573 PolarHBondContact O-N 3Å
570	I	96	Very high	94.4	Very high	99 Å²	99	34.5 Å²	34.5	51%	0.508	19%	0.186	S	C	.	.	H	α-helix	trans	-57.1	-42.3	173.3	-62.4	169.4	0	0	0	110.6	C566 I567 C568 L573	C566-I570 PolarHBondContact O-N 3.37Å; I567-I570 WeakPolarHBondContact O-CB 3.31Å; I567-I570 PolarHBondContact O-N 2.97Å; C568-I570 VanDerWaalsContact C-N 3.31Å; C568-I570 PolarHBondContact O-N 2.87Å; I570-L573 PolarHBondContact O-N 2.9Å
571	G	94.6	Very high	94.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-65.3	-36.7	175.1	0	0	0	0	0	113.3	I567 C568 E569 I574 V580	I567-G571 PolarHBondContact O-N 3.39Å; C568-G571 WeakPolarHBondContact O-CA 3.29Å; C568-G571 PolarHBondContact O-N 3.46Å; E569-G571 VanDerWaalsContact C-N 3.25Å; E569-G571 PolarHBondContact O-N 3.11Å; G571-I574 PolarHBondContact O-N 2.74Å; G571-V580 WeakPolarHBondContact O-CG2 3.34Å
572	I	96	Very high	94.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-69.8	-37.5	177.7	-67.1	178.5	0	0	0	111.6	A216 I219 L220 L261 C568 E569 I574 A575	A216-I572 HydrophobicContact CB-CG1 4.34Å; I219-I572 HydrophobicContact CB-CD1 4.36Å; I219-I572 HydrophobicContact CD1-CD1 4.26Å; I219-I572 HydrophobicContact CG2-CD1 3.81Å; I219-I572 HydrophobicContact CG2-CG1 4.47Å; L220-I572 HydrophobicContact CD2-CG2 4.46Å; L261-I572 HydrophobicContact CB-CD1 3.58Å; L261-I572 HydrophobicContact CD2-CD1 3.7Å; L261-I572 HydrophobicContact CG-CD1 4.13Å; C568-I572 PolarHBondContact O-N 3.45Å; E569-I572 PolarHBondContact O-N 3.42Å; I572-I574 PolarHBondContact O-N 3.48Å; I572-A575 VanDerWaalsContact O-CA 3.28Å; I572-A575 WeakPolarHBondContact O-CA 3.4Å; I572-A575 PolarHBondContact O-N 3.14Å
573	L	95.7	Very high	94	Very high	89 Å²	89	33.3 Å²	33.3	47%	0.466	18%	0.181	S	C	.	.	H	α-helix	trans	-64	-28.3	178.5	-70.1	175	0	0	0	113.1	R254 E569 I570 A575	R254-L573 PolarHBondContact NE-O 3.3Å; E569-L573 HydrophobicContact CG-CD1 4.45Å; E569-L573 HydrophobicContact CG-CG 4.49Å; E569-L573 WeakPolarHBondContact O-CG 3.43Å; E569-L573 PolarHBondContact O-N 3Å; I570-L573 PolarHBondContact O-N 2.9Å; L573-A575 PolarHBondContact O-N 2.94Å
574	I	93.8	Very high	93.9	Very high	62 Å²	62	30.9 Å²	30.9	32%	0.318	17%	0.168	S	C	.	.	H	α-helix	trans	-61	-30.4	170.9	-62.9	170	0	0	0	110.6	G571 I572 S576 E579 V580 I583	G571-I574 PolarHBondContact O-N 2.74Å; I572-I574 PolarHBondContact O-N 3.48Å; I574-S576 PolarHBondContact O-N 3.45Å; I574-E579 HydrophobicContact CG2-CB 3.84Å; I574-V580 HydrophobicContact CB-CG2 4Å; I574-V580 HydrophobicContact CD1-CG2 4.23Å; I574-V580 HydrophobicContact CG2-CG2 3.97Å; I574-I583 HydrophobicContact CD1-CD1 4.03Å
575	A	91.4	Very high	93.7	Very high	5 Å²	5	30.9 Å²	30.9	4%	0.041	17%	0.168	C	C	.	.			trans	65.2	-17.7	171.8	0	0	0	0	0	117	L250 M253 R254 I572 L573	L250-A575 HydrophobicContact CB-CB 4.17Å; L250-A575 HydrophobicContact CD2-CB 3.89Å; M253-A575 HydrophobicContact CB-CB 4.26Å; R254-A575 HydrophobicContact CG-CB 3.63Å; I572-A575 VanDerWaalsContact O-CA 3.28Å; I572-A575 WeakPolarHBondContact O-CA 3.4Å; I572-A575 PolarHBondContact O-N 3.14Å; L573-A575 PolarHBondContact O-N 2.94Å
576	S	90.3	Very high	93.6	Very high	26 Å²	26	30.7 Å²	30.7	18%	0.182	16%	0.164	C	C	.	.			trans	-99.2	119.6	176.4	178.9	0	0	0	0	111.2	I574 D578 E579 V580	I574-S576 PolarHBondContact O-N 3.45Å; S576-D578 PolarHBondContact O-N 3.47Å; S576-E579 PolarHBondContact O-N 3.47Å; S576-V580 WeakPolarHBondContact O-CG2 3.4Å; S576-V580 PolarHBondContact O-N 2.93Å
577	L	90.9	Very high	93.5	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-58.2	-38.1	175.4	-175.6	152.5	0	0	0	111.6	V137 I138 R142 M217 E579 V580 A581	V137-L577 HydrophobicContact CG1-CD1 4.36Å; V137-L577 HydrophobicContact CG2-CD1 4.26Å; I138-L577 HydrophobicContact CD1-CD2 4.03Å; R142-L577 HydrophobicContact CG-CD2 4.36Å; M217-L577 HydrophobicContact CG-CG 4.15Å; L577-E579 VanDerWaalsContact C-N 3.32Å; L577-E579 PolarHBondContact O-N 3.34Å; L577-V580 PolarHBondContact O-N 3.24Å; L577-A581 WeakPolarHBondContact O-CB 3.21Å; L577-A581 PolarHBondContact O-N 3.3Å
578	D	92.1	Very high	93.4	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.021	15%	0.145	C	C	.	.	H	α-helix	trans	-76.1	-20.1	-173.2	-53.3	-51.5	0	0	0	112.9	R142 M419 I429 K488 S576 P582	R142-D578 IonicContact CZ-OD1 2.92Å; R142-D578 IonicContact NE-OD1 2.64Å; R142-D578 PolarHBondContact NE-OD1 3.4Å; R142-D578 IonicContact NE-OD2 3.93Å; R142-D578 IonicContact NH2-OD1 2.61Å; R142-D578 IonicContact NH2-OD2 3.24Å; M419-D578 HydrophobicContact CE-CB 3.55Å; M419-D578 VanDerWaalsContact CE-CG 3.49Å; M419-D578 WeakPolarHBondContact CE-OD2 3.47Å; M419-D578 HydrophobicContact SD-CB 4.17Å; I429-D578 HydrophobicContact CD1-CB 4Å; I429-D578 HydrophobicContact CG1-CB 4.41Å; K488-D578 WeakPolarHBondContact CE-OD2 3.44Å; K488-D578 IonicContact NZ-OD2 3.45Å; K488-D578 PolarHBondContact NZ-OD2 2.9Å; S576-D578 PolarHBondContact O-N 3.47Å; D578-P582 WeakPolarHBondContact O-CD 3.25Å; D578-P582 WeakPolarHBondContact O-CG 3.43Å
579	E	91.6	Very high	93.3	Very high	119 Å²	119	28.6 Å²	28.6	56%	0.556	15%	0.146	S	C	*	.	H	α-helix	trans	-86.2	-32.7	172.1	-68	-69.2	171.9	0	0	111.8	I574 S576 L577	I574-E579 HydrophobicContact CG2-CB 3.84Å; S576-E579 PolarHBondContact O-N 3.47Å; L577-E579 VanDerWaalsContact C-N 3.32Å; L577-E579 PolarHBondContact O-N 3.34Å
580	V	93	Very high	93.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-73.4	-34.8	178	175.5	0	0	0	0	111.5	F213 M217 L220 G571 I574 S576 L577 I583 L584	F213-V580 HydrophobicContact CD1-CG1 4.41Å; M217-V580 HydrophobicContact CB-CG1 4.27Å; L220-V580 HydrophobicContact CD1-CG2 3.97Å; G571-V580 WeakPolarHBondContact O-CG2 3.34Å; I574-V580 HydrophobicContact CB-CG2 4Å; I574-V580 HydrophobicContact CD1-CG2 4.23Å; I574-V580 HydrophobicContact CG2-CG2 3.97Å; S576-V580 WeakPolarHBondContact O-CG2 3.4Å; S576-V580 PolarHBondContact O-N 2.93Å; L577-V580 PolarHBondContact O-N 3.24Å; V580-I583 PolarHBondContact O-N 2.99Å; V580-L584 PolarHBondContact O-N 3.45Å
581	A	92.5	Very high	93.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-58.7	-49.1	-178	0	0	0	0	0	113.9	M217 P432 L577 I583 L584 S585	M217-A581 HydrophobicContact SD-CB 4.26Å; P432-A581 HydrophobicContact CG-CB 3.93Å; L577-A581 WeakPolarHBondContact O-CB 3.21Å; L577-A581 PolarHBondContact O-N 3.3Å; A581-I583 VanDerWaalsContact C-N 3.31Å; A581-I583 PolarHBondContact O-N 2.97Å; A581-L584 WeakPolarHBondContact O-CB 3.3Å; A581-L584 PolarHBondContact O-N 2.7Å; A581-S585 PolarHBondContact O-N 3.35Å; A581-S585 PolarHBondContact O-OG 2.94Å
582	P	91.2	Very high	93.1	Very high	23 Å²	23	22.2 Å²	22.2	15%	0.149	11%	0.114	C	C	.	.	H	α-helix	trans	-58.7	-35.5	175.2	-28.4	35.8	0	0	0	114.7	D578 S585 M586	D578-P582 WeakPolarHBondContact O-CD 3.25Å; D578-P582 WeakPolarHBondContact O-CG 3.43Å; P582-S585 WeakPolarHBondContact O-CB 3.49Å; P582-S585 PolarHBondContact O-N 2.7Å; P582-M586 PolarHBondContact O-N 3.42Å
583	I	92.2	Very high	93.1	Very high	59 Å²	59	22.8 Å²	22.8	30%	0.303	12%	0.117	S	C	.	.	H	α-helix	trans	-63.8	-47.6	178.1	-62.2	172.4	0	0	0	109.9	F213 I574 V580 A581 S585 M586 F587	F213-I583 HydrophobicContact CD1-CG2 4.32Å; F213-I583 HydrophobicContact CD2-CG2 4.34Å; F213-I583 HydrophobicContact CE1-CG2 4.27Å; F213-I583 HydrophobicContact CE2-CG2 4.29Å; F213-I583 HydrophobicContact CG-CG2 4.37Å; F213-I583 HydrophobicContact CZ-CG2 4.26Å; I574-I583 HydrophobicContact CD1-CD1 4.03Å; V580-I583 PolarHBondContact O-N 2.99Å; A581-I583 VanDerWaalsContact C-N 3.31Å; A581-I583 PolarHBondContact O-N 2.97Å; I583-S585 VanDerWaalsContact C-N 3.34Å; I583-S585 PolarHBondContact O-N 3.32Å; I583-M586 WeakPolarHBondContact O-CB 3.21Å; I583-M586 PolarHBondContact O-N 2.9Å; I583-F587 HydrophobicContact CG2-CD2 4.28Å; I583-F587 HydrophobicContact CG2-CE2 3.78Å; I583-F587 VanDerWaalsContact O-CD2 3.25Å; I583-F587 WeakPolarHBondContact O-CD2 3.24Å; I583-F587 PolarHBondContact O-N 2.87Å
584	L	92.8	Very high	93	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-58.9	-46.2	174.2	174.4	157.1	0	0	0	111.5	F213 A214 M217 P432 T435 V580 A581 M586 F587 F588	F213-L584 HydrophobicContact CB-CB 4.28Å; A214-L584 HydrophobicContact CB-CD1 3.46Å; A214-L584 VanDerWaalsContact CB-CD1 3.46Å; M217-L584 HydrophobicContact CE-CD1 4.36Å; M217-L584 HydrophobicContact SD-CD1 4.38Å; P432-L584 HydrophobicContact CB-CD2 3.75Å; P432-L584 HydrophobicContact CG-CD2 3.83Å; T435-L584 HydrophobicContact CG2-CD2 4.38Å; V580-L584 PolarHBondContact O-N 3.45Å; A581-L584 WeakPolarHBondContact O-CB 3.3Å; A581-L584 PolarHBondContact O-N 2.7Å; L584-M586 PolarHBondContact O-N 2.65Å; L584-F587 PolarHBondContact O-N 2.9Å; L584-F587 VanDerWaalsContact O-N 3.1Å; L584-F588 HydrophobicContact CD1-CE2 4.11Å; L584-F588 HydrophobicContact CD2-CD2 3.36Å; L584-F588 HydrophobicContact CD2-CE2 3.69Å; L584-F588 HydrophobicContact CD2-CG 4.48Å; L584-F588 HydrophobicContact CG-CD2 3.63Å; L584-F588 HydrophobicContact CG-CE2 3.68Å; L584-F588 WeakPolarHBondContact O-CD2 3.3Å; L584-F588 PolarHBondContact O-N 3.37Å
585	S	93.4	Very high	93.1	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.007	9%	0.085	C	C	.	.	H	α-helix	trans	-57	-39.3	-179.4	-65.1	0	0	0	0	111.6	G428 P432 A581 P582 I583 F588 L589	G428-S585 PolarHBondContact O-OG 2.99Å; P432-S585 WeakPolarHBondContact CD-OG 3.32Å; A581-S585 PolarHBondContact O-N 3.35Å; A581-S585 PolarHBondContact O-OG 2.94Å; P582-S585 WeakPolarHBondContact O-CB 3.49Å; P582-S585 PolarHBondContact O-N 2.7Å; I583-S585 VanDerWaalsContact C-N 3.34Å; I583-S585 PolarHBondContact O-N 3.32Å; S585-F588 PolarHBondContact O-N 2.74Å; S585-L589 VanDerWaalsContact O-CB 3.27Å; S585-L589 WeakPolarHBondContact O-CB 3.23Å; S585-L589 VanDerWaalsContact O-CG 3.25Å; S585-L589 WeakPolarHBondContact O-CG 3.23Å; S585-L589 PolarHBondContact O-N 3.3Å
586	M	93.1	Very high	93.3	Very high	14 Å²	14	16.6 Å²	16.6	7%	0.069	8%	0.083	C	C	.	.	H	α-helix	trans	-61.4	-45	176.2	-165.2	62.9	72.6	0	0	112.4	P582 I583 L584 M590 M633 C636 S637 A641 A644	P582-M586 PolarHBondContact O-N 3.42Å; I583-M586 WeakPolarHBondContact O-CB 3.21Å; I583-M586 PolarHBondContact O-N 2.9Å; L584-M586 PolarHBondContact O-N 2.65Å; M586-M590 VanDerWaalsContact O-CB 3.31Å; M586-M590 WeakPolarHBondContact O-CB 3.45Å; M586-M590 PolarHBondContact O-N 2.98Å; M586-M633 HydrophobicContact SD-CB 3.81Å; M586-M633 HydrophobicContact SD-CG 3.8Å; M586-M633 HydrophobicContact SD-SD 4.15Å; M586-C636 HydrophobicContact CE-CB 4.49Å; M586-S637 WeakPolarHBondContact CE-O 3.37Å; M586-A641 HydrophobicContact CE-CB 4.04Å; M586-A641 HydrophobicContact SD-CB 3.88Å; M586-A644 HydrophobicContact CG-CB 4.38Å
587	F	93.6	Very high	93.6	Very high	42 Å²	42	17.9 Å²	17.9	18%	0.184	9%	0.088	C	C	.	.	H	α-helix	trans	-67	-42	179.1	-70.6	-61.1	0	0	0	112.9	L209 F213 I583 L584 M590 C591	L209-F587 HydrophobicContact CB-CD1 3.95Å; L209-F587 HydrophobicContact CB-CD2 4.25Å; L209-F587 HydrophobicContact CB-CE1 4.03Å; L209-F587 HydrophobicContact CB-CE2 4.3Å; L209-F587 HydrophobicContact CB-CG 4.08Å; L209-F587 HydrophobicContact CB-CZ 4.2Å; L209-F587 HydrophobicContact CD1-CD1 4.19Å; L209-F587 HydrophobicContact CD1-CE1 3.64Å; L209-F587 HydrophobicContact CD1-CZ 4.06Å; L209-F587 HydrophobicContact CG-CE1 4.48Å; F213-F587 HydrophobicContact CD2-CD2 4.05Å; F213-F587 AromaticContact CD2-CE2 3.71Å; F213-F587 HydrophobicContact CD2-CE2 3.71Å; F213-F587 HydrophobicContact CE2-CD2 4.47Å; F213-F587 AromaticContact CE2-CE2 3.68Å; F213-F587 HydrophobicContact CE2-CE2 3.68Å; F213-F587 HydrophobicContact CE2-CZ 4.39Å; I583-F587 HydrophobicContact CG2-CD2 4.28Å; I583-F587 HydrophobicContact CG2-CE2 3.78Å; I583-F587 VanDerWaalsContact O-CD2 3.25Å; I583-F587 WeakPolarHBondContact O-CD2 3.24Å; I583-F587 PolarHBondContact O-N 2.87Å; L584-F587 PolarHBondContact O-N 2.9Å; L584-F587 VanDerWaalsContact O-N 3.1Å; F587-M590 HydrophobicContact CD1-CE 3.95Å; F587-M590 HydrophobicContact CE1-CE 4.47Å; F587-C591 WeakPolarHBondContact O-CB 3.38Å; F587-C591 PolarHBondContact O-N 3.07Å
588	F	94.2	Very high	93.7	Very high	7 Å²	7	17.7 Å²	17.7	3%	0.031	9%	0.087	C	C	.	.	H	α-helix	trans	-69.9	-40.8	177.8	-83.6	-75.7	0	0	0	112.7	F207 G210 F431 T435 L584 S585 M590 C591 Y592	F207-F588 HydrophobicContact CD2-CD1 4.45Å; F207-F588 AromaticContact CD2-CE1 3.74Å; F207-F588 HydrophobicContact CD2-CE1 3.74Å; F207-F588 HydrophobicContact CD2-CZ 4.43Å; F207-F588 AromaticContact CE2-CE1 3.74Å; F207-F588 HydrophobicContact CE2-CE1 3.74Å; F207-F588 HydrophobicContact CE2-CZ 4.36Å; G210-F588 VanDerWaalsContact C-CE2 3.44Å; G210-F588 WeakPolarHBondContact O-CE2 3.1Å; F431-F588 HydrophobicContact CE1-CB 4Å; T435-F588 HydrophobicContact CG2-CB 3.94Å; T435-F588 HydrophobicContact CG2-CD1 4.23Å; T435-F588 HydrophobicContact CG2-CD2 4Å; T435-F588 HydrophobicContact CG2-CG 3.8Å; L584-F588 HydrophobicContact CD1-CE2 4.11Å; L584-F588 HydrophobicContact CD2-CD2 3.36Å; L584-F588 HydrophobicContact CD2-CE2 3.69Å; L584-F588 HydrophobicContact CD2-CG 4.48Å; L584-F588 HydrophobicContact CG-CD2 3.63Å; L584-F588 HydrophobicContact CG-CE2 3.68Å; L584-F588 WeakPolarHBondContact O-CD2 3.3Å; L584-F588 PolarHBondContact O-N 3.37Å; S585-F588 PolarHBondContact O-N 2.74Å; F588-M590 VanDerWaalsContact C-N 3.33Å; F588-M590 PolarHBondContact O-N 2.83Å; F588-C591 WeakPolarHBondContact O-CB 3.29Å; F588-C591 PolarHBondContact O-N 2.92Å; F588-Y592 HydrophobicContact CB-CE2 4.35Å; F588-Y592 HydrophobicContact CD1-CE1 4.32Å; F588-Y592 AromaticContact CD1-CZ 3.99Å; F588-Y592 WeakPolarHBondContact O-CD2 3.49Å; F588-Y592 PolarHBondContact O-N 3.49Å
589	L	95	Very high	93.9	Very high	4 Å²	4	17.5 Å²	17.5	2%	0.021	9%	0.086	C	C	.	.	H	α-helix	trans	-62.2	-41.4	174.5	-76.7	167.7	0	0	0	111.7	F431 S585 Y592 M593 C629 L632 M633	F431-L589 HydrophobicContact CD1-CG 4.2Å; F431-L589 HydrophobicContact CD2-CD2 4.25Å; F431-L589 HydrophobicContact CE1-CD1 4.48Å; F431-L589 HydrophobicContact CE1-CD2 3.93Å; F431-L589 HydrophobicContact CE1-CG 3.65Å; F431-L589 HydrophobicContact CE2-CD2 3.49Å; F431-L589 VanDerWaalsContact CE2-CD2 3.49Å; F431-L589 HydrophobicContact CE2-CG 4.08Å; F431-L589 HydrophobicContact CZ-CD2 3.29Å; F431-L589 HydrophobicContact CZ-CG 3.58Å; S585-L589 VanDerWaalsContact O-CB 3.27Å; S585-L589 WeakPolarHBondContact O-CB 3.23Å; S585-L589 VanDerWaalsContact O-CG 3.25Å; S585-L589 WeakPolarHBondContact O-CG 3.23Å; S585-L589 PolarHBondContact O-N 3.3Å; L589-Y592 PolarHBondContact O-N 3.2Å; L589-M593 VanDerWaalsContact O-CB 3.3Å; L589-M593 WeakPolarHBondContact O-CB 3.3Å; L589-M593 PolarHBondContact O-N 3.11Å; L589-C629 HydrophobicContact CD2-CB 4.44Å; L589-L632 HydrophobicContact CD1-CB 3.82Å; L589-L632 HydrophobicContact CD2-CB 3.85Å; L589-L632 HydrophobicContact CD2-CD1 3.95Å; L589-M633 HydrophobicContact CB-CG 3.39Å; L589-M633 HydrophobicContact CB-SD 3.94Å; L589-M633 HydrophobicContact CD1-CG 3.82Å; L589-M633 HydrophobicContact CG-CG 4.19Å
590	M	93.7	Very high	94.1	Very high	7 Å²	7	12 Å²	12	3%	0.034	6%	0.061	C	C	.	.	H	α-helix	trans	-64.2	-41.7	175.6	-179.3	170.8	53.6	0	0	111.7	C206 M586 F587 F588 M593 F594 M633 A644 A648	C206-M590 HydrophobicContact CB-CE 4.15Å; C206-M590 WeakPolarHBondContact SG-CE 3.48Å; M586-M590 VanDerWaalsContact O-CB 3.31Å; M586-M590 WeakPolarHBondContact O-CB 3.45Å; M586-M590 PolarHBondContact O-N 2.98Å; F587-M590 HydrophobicContact CD1-CE 3.95Å; F587-M590 HydrophobicContact CE1-CE 4.47Å; F588-M590 VanDerWaalsContact C-N 3.33Å; F588-M590 PolarHBondContact O-N 2.83Å; M590-M593 PolarHBondContact O-N 3.2Å; M590-F594 HydrophobicContact CG-CD2 4.05Å; M590-F594 HydrophobicContact CG-CE2 3.56Å; M590-F594 HydrophobicContact CG-CZ 4.35Å; M590-F594 VanDerWaalsContact O-CD2 3.3Å; M590-F594 WeakPolarHBondContact O-CD2 3.38Å; M590-F594 PolarHBondContact O-N 3.11Å; M590-F594 VanDerWaalsContact O-N 3.11Å; M590-F594 HydrophobicContact SD-CE2 4.15Å; M590-M633 HydrophobicContact CB-SD 4.01Å; M590-A644 HydrophobicContact CE-CB 4.14Å; M590-A644 HydrophobicContact SD-CB 3.9Å; M590-A648 HydrophobicContact SD-CB 3.64Å
591	C	94	Very high	94.1	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-58.1	-50.8	173.9	-178.9	0	0	0	0	111.6	C206 M438 F587 F588 M593 F594 V595	C206-C591 HydrophobicContact CB-CB 4.21Å; M438-C591 WeakPolarHBondContact CE-SG 3.16Å; F587-C591 WeakPolarHBondContact O-CB 3.38Å; F587-C591 PolarHBondContact O-N 3.07Å; F588-C591 WeakPolarHBondContact O-CB 3.29Å; F588-C591 PolarHBondContact O-N 2.92Å; C591-M593 PolarHBondContact O-N 2.71Å; C591-F594 PolarHBondContact O-N 3.27Å; C591-V595 WeakPolarHBondContact O-CG2 3.36Å; C591-V595 PolarHBondContact O-N 3.48Å; C591-V595 VanDerWaalsContact O-N 3.14Å
592	Y	95.5	Very high	94	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-66.2	-36.2	179.3	-61.3	-18.9	0	0	0	112.6	T166 T169 F431 I437 M438 F588 L589 F594 V595 N596	T166-Y592 HydrophobicContact CG2-CE2 4.26Å; T169-Y592 HydrophobicContact CG2-CD1 3.82Å; T169-Y592 HydrophobicContact CG2-CG 3.86Å; F431-Y592 HydrophobicContact CE1-CE2 4.38Å; F431-Y592 HydrophobicContact CZ-CD2 4.07Å; F431-Y592 HydrophobicContact CZ-CE2 4.01Å; I437-Y592 HydrophobicContact CD1-CD1 4.47Å; I437-Y592 HydrophobicContact CD1-CE1 3.99Å; I437-Y592 HydrophobicContact CG1-CE1 4.01Å; M438-Y592 HydrophobicContact CE-CD1 4.08Å; M438-Y592 HydrophobicContact CE-CE1 4.02Å; F588-Y592 HydrophobicContact CB-CE2 4.35Å; F588-Y592 HydrophobicContact CD1-CE1 4.32Å; F588-Y592 AromaticContact CD1-CZ 3.99Å; F588-Y592 WeakPolarHBondContact O-CD2 3.49Å; F588-Y592 PolarHBondContact O-N 3.49Å; L589-Y592 PolarHBondContact O-N 3.2Å; Y592-F594 PolarHBondContact O-N 3.25Å; Y592-V595 PolarHBondContact O-N 2.71Å; Y592-N596 WeakPolarHBondContact O-CB 3.28Å; Y592-N596 PolarHBondContact O-N 2.72Å; Y592-N596 PolarHBondContact O-ND2 3.17Å
593	M	95.2	Very high	94	Very high	12 Å²	12	16.1 Å²	16.1	6%	0.059	9%	0.085	C	C	.	.	H	α-helix	trans	-58.2	-47.6	173.4	-176.3	-165.1	68.6	0	0	111.2	L589 M590 C591 N596 L597 M626 C629 L630 M633 M645	L589-M593 VanDerWaalsContact O-CB 3.3Å; L589-M593 WeakPolarHBondContact O-CB 3.3Å; L589-M593 PolarHBondContact O-N 3.11Å; M590-M593 PolarHBondContact O-N 3.2Å; C591-M593 PolarHBondContact O-N 2.71Å; M593-N596 PolarHBondContact O-N 3.18Å; M593-L597 VanDerWaalsContact O-CB 3.28Å; M593-L597 WeakPolarHBondContact O-CB 3.42Å; M593-L597 PolarHBondContact O-N 3.34Å; M593-M626 HydrophobicContact CG-CG 3.91Å; M593-C629 HydrophobicContact CB-CB 3.84Å; M593-C629 HydrophobicContact CG-CB 4.46Å; M593-L630 HydrophobicContact SD-CD1 3.91Å; M593-M633 HydrophobicContact CB-CE 4.37Å; M593-M633 HydrophobicContact CE-CE 4.38Å; M593-M633 HydrophobicContact CG-CE 4.4Å; M593-M633 HydrophobicContact SD-CE 3.46Å; M593-M633 WeakPolarHBondContact SD-CE 3.3Å; M593-M645 HydrophobicContact CE-CG 4.47Å
594	F	94.5	Very high	93.9	Very high	25 Å²	25	18.5 Å²	18.5	11%	0.11	10%	0.097	C	C	.	.	H	α-helix	trans	-68.1	-38.7	-179.7	-74.4	-46.3	0	0	0	113.4	V203 M590 C591 Y592 N596 L597 A598 A648	V203-F594 HydrophobicContact CG2-CB 3.63Å; M590-F594 HydrophobicContact CG-CD2 4.05Å; M590-F594 HydrophobicContact CG-CE2 3.56Å; M590-F594 HydrophobicContact CG-CZ 4.35Å; M590-F594 VanDerWaalsContact O-CD2 3.3Å; M590-F594 WeakPolarHBondContact O-CD2 3.38Å; M590-F594 PolarHBondContact O-N 3.11Å; M590-F594 VanDerWaalsContact O-N 3.11Å; M590-F594 HydrophobicContact SD-CE2 4.15Å; C591-F594 PolarHBondContact O-N 3.27Å; Y592-F594 PolarHBondContact O-N 3.25Å; F594-N596 VanDerWaalsContact C-N 3.32Å; F594-N596 PolarHBondContact O-N 3.02Å; F594-L597 HydrophobicContact CD1-CD2 4.28Å; F594-L597 PolarHBondContact O-N 3.16Å; F594-A598 VanDerWaalsContact O-CB 3.26Å; F594-A598 WeakPolarHBondContact O-CB 3.48Å; F594-A598 PolarHBondContact O-N 3.47Å; F594-A648 HydrophobicContact CE2-CB 3.44Å; F594-A648 VanDerWaalsContact CE2-CB 3.44Å; F594-A648 HydrophobicContact CZ-CB 3.5Å
595	V	94.8	Very high	93.6	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.006	12%	0.118	C	C	.	.	H	α-helix	trans	-59.1	-47.1	174.3	170.7	0	0	0	0	110.4	T169 I176 I191 V203 M438 C591 Y592 C599	T169-V595 HydrophobicContact CG2-CG1 4.4Å; I176-V595 HydrophobicContact CD1-CG1 3.88Å; I191-V595 HydrophobicContact CD1-CG2 4.44Å; V203-V595 HydrophobicContact CG1-CG2 3.87Å; V203-V595 HydrophobicContact CG2-CG2 4.28Å; M438-V595 HydrophobicContact CE-CG2 4.05Å; C591-V595 WeakPolarHBondContact O-CG2 3.36Å; C591-V595 PolarHBondContact O-N 3.48Å; C591-V595 VanDerWaalsContact O-N 3.14Å; Y592-V595 PolarHBondContact O-N 2.71Å; V595-C599 PolarHBondContact O-N 3.03Å; V595-C599 PolarHBondContact O-SG 3.22Å
596	N	96.8	Very high	93.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-65.9	-44.6	178.3	-75.9	-35.5	0	0	0	112.5	T169 S172 Y592 M593 F594 A600 S622 M626	T169-N596 WeakPolarHBondContact CA-OD1 3.37Å; T169-N596 PolarHBondContact OG1-ND2 3.3Å; S172-N596 VanDerWaalsContact CB-OD1 3.24Å; S172-N596 WeakPolarHBondContact CB-OD1 3.36Å; S172-N596 PolarHBondContact OG-OD1 2.74Å; Y592-N596 WeakPolarHBondContact O-CB 3.28Å; Y592-N596 PolarHBondContact O-N 2.72Å; Y592-N596 PolarHBondContact O-ND2 3.17Å; M593-N596 PolarHBondContact O-N 3.18Å; F594-N596 VanDerWaalsContact C-N 3.32Å; F594-N596 PolarHBondContact O-N 3.02Å; N596-A600 PolarHBondContact O-N 3.23Å; N596-S622 WeakPolarHBondContact CB-O 3.42Å; N596-S622 WeakPolarHBondContact O-CB 3.48Å; N596-M626 HydrophobicContact CB-CB 3.91Å
597	L	95.2	Very high	92.5	Very high	54 Å²	54	32.2 Å²	32.2	28%	0.283	16%	0.157	S	C	.	.	H	α-helix	trans	-59.8	-48.8	177.1	172.7	63.6	0	0	0	111.5	M593 F594 C599 A600 V601 M626	M593-L597 VanDerWaalsContact O-CB 3.28Å; M593-L597 WeakPolarHBondContact O-CB 3.42Å; M593-L597 PolarHBondContact O-N 3.34Å; F594-L597 HydrophobicContact CD1-CD2 4.28Å; F594-L597 PolarHBondContact O-N 3.16Å; L597-C599 PolarHBondContact O-N 2.72Å; L597-A600 PolarHBondContact O-N 3.46Å; L597-V601 HydrophobicContact CD1-CG2 3.68Å; L597-V601 HydrophobicContact CG-CG2 4.26Å; L597-V601 WeakPolarHBondContact O-CB 3.34Å; L597-V601 VanDerWaalsContact O-CG2 3.29Å; L597-V601 WeakPolarHBondContact O-CG2 3.47Å; L597-V601 PolarHBondContact O-N 3.42Å; L597-M626 HydrophobicContact CB-CG 4.2Å; L597-M626 HydrophobicContact CB-SD 3.86Å; L597-M626 HydrophobicContact CD1-SD 3.53Å; L597-M626 VanDerWaalsContact CD1-SD 3.53Å; L597-M626 HydrophobicContact CG-SD 4.22Å
598	A	94	Very high	91.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.1	-45.2	-176.8	0	0	0	0	0	112	L195 F199 F594 A600 V601 Q602	L195-A598 HydrophobicContact CD1-CB 3.68Å; L195-A598 HydrophobicContact CD2-CB 4.16Å; L195-A598 HydrophobicContact CG-CB 4.43Å; F199-A598 HydrophobicContact CD1-CB 3.74Å; F199-A598 HydrophobicContact CD2-CB 4.1Å; F199-A598 HydrophobicContact CE1-CB 3.81Å; F199-A598 HydrophobicContact CE2-CB 4.17Å; F199-A598 HydrophobicContact CG-CB 3.89Å; F199-A598 HydrophobicContact CZ-CB 4.03Å; F594-A598 VanDerWaalsContact O-CB 3.26Å; F594-A598 WeakPolarHBondContact O-CB 3.48Å; F594-A598 PolarHBondContact O-N 3.47Å; A598-A600 VanDerWaalsContact C-N 3.34Å; A598-A600 PolarHBondContact O-N 2.79Å; A598-V601 PolarHBondContact O-N 2.78Å; A598-Q602 WeakPolarHBondContact O-CB 3.43Å; A598-Q602 VanDerWaalsContact O-CG 3.29Å; A598-Q602 WeakPolarHBondContact O-CG 3.48Å; A598-Q602 PolarHBondContact O-N 3.49Å
599	C	95.1	Very high	91	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.8	-44.1	176.6	-63.9	0	0	0	0	111.6	V595 L597 T603 W610 Y617	V595-C599 PolarHBondContact O-N 3.03Å; V595-C599 PolarHBondContact O-SG 3.22Å; L597-C599 PolarHBondContact O-N 2.72Å; C599-T603 PolarHBondContact O-N 3.32Å; C599-T603 PolarHBondContact O-OG1 3.4Å; C599-W610 HydrophobicContact CB-CH2 4.3Å; C599-W610 HydrophobicContact CB-CZ2 4.02Å; C599-Y617 VanDerWaalsContact C-OH 3.31Å; C599-Y617 HydrophobicContact CB-CE2 4.24Å; C599-Y617 PolarHBondContact O-OH 3.45Å
600	A	95.5	Very high	90.5	Very high	4 Å²	4	38.3 Å²	38.3	3%	0.033	19%	0.192	C	C	.	.	H	α-helix	trans	-64.2	-46.7	178.3	0	0	0	0	0	111.7	N596 L597 A598 T603 L604	N596-A600 PolarHBondContact O-N 3.23Å; L597-A600 PolarHBondContact O-N 3.46Å; A598-A600 VanDerWaalsContact C-N 3.34Å; A598-A600 PolarHBondContact O-N 2.79Å; A600-T603 PolarHBondContact O-N 3.11Å; A600-L604 WeakPolarHBondContact O-CB 3.37Å; A600-L604 PolarHBondContact O-N 3.42Å
601	V	93.2	Very high	90.4	Very high	51 Å²	51	46.2 Å²	46.2	31%	0.309	22%	0.222	S	C	.	.	H	α-helix	trans	-64.5	-43.7	-178.5	169.3	0	0	0	0	111.9	L597 A598 T603 L604 L605	L597-V601 HydrophobicContact CD1-CG2 3.68Å; L597-V601 HydrophobicContact CG-CG2 4.26Å; L597-V601 WeakPolarHBondContact O-CB 3.34Å; L597-V601 VanDerWaalsContact O-CG2 3.29Å; L597-V601 WeakPolarHBondContact O-CG2 3.47Å; L597-V601 PolarHBondContact O-N 3.42Å; A598-V601 PolarHBondContact O-N 2.78Å; V601-T603 VanDerWaalsContact C-N 3.32Å; V601-T603 PolarHBondContact O-N 2.85Å; V601-L604 PolarHBondContact O-N 2.84Å; V601-L605 HydrophobicContact CG1-CD1 3.58Å; V601-L605 HydrophobicContact CG1-CG 4.17Å; V601-L605 WeakPolarHBondContact O-CB 3.3Å; V601-L605 WeakPolarHBondContact O-CG 3.42Å; V601-L605 PolarHBondContact O-N 3.49Å
602	Q	91.6	Very high	90.1	Very high	15 Å²	15	47.8 Å²	47.8	7%	0.07	23%	0.232	C	C	.	.	H	α-helix	trans	-65.4	-37.1	-179.5	-71.7	-179.1	-3.3	0	0	112.5	L195 A598 R606 T607 W610	L195-Q602 VanDerWaalsContact CA-NE2 3.31Å; L195-Q602 PolarHBondContact O-NE2 3.34Å; A598-Q602 WeakPolarHBondContact O-CB 3.43Å; A598-Q602 VanDerWaalsContact O-CG 3.29Å; A598-Q602 WeakPolarHBondContact O-CG 3.48Å; A598-Q602 PolarHBondContact O-N 3.49Å; Q602-R606 PolarHBondContact O-N 2.78Å; Q602-R606 VanDerWaalsContact O-N 3.16Å; Q602-T607 PolarHBondContact O-N 3.39Å; Q602-T607 VanDerWaalsContact O-N 3.11Å; Q602-W610 HydrophobicContact CB-CB 4.1Å; Q602-W610 HydrophobicContact CB-CD2 3.9Å; Q602-W610 HydrophobicContact CB-CG 3.65Å; Q602-W610 VanDerWaalsContact OE1-CD2 3.31Å
603	T	91.2	Very high	89.9	Confident	42 Å²	42	55.9 Å²	55.9	26%	0.258	26%	0.262	S	S	.	.	H	α-helix	trans	-66.3	-44.5	173.1	-53.6	0	0	0	0	111.6	C599 A600 V601 R606 W610 Y617 W619	C599-T603 PolarHBondContact O-N 3.32Å; C599-T603 PolarHBondContact O-OG1 3.4Å; A600-T603 PolarHBondContact O-N 3.11Å; V601-T603 VanDerWaalsContact C-N 3.32Å; V601-T603 PolarHBondContact O-N 2.85Å; T603-R606 PolarHBondContact O-N 3.19Å; T603-W610 PolarHBondContact OG1-NE1 3.04Å; T603-Y617 PolarHBondContact OG1-OH 3.21Å; T603-W619 HydrophobicContact CG2-CB 4.02Å
604	L	90.4	Very high	89.7	Confident	109 Å²	109	57 Å²	57	57%	0.571	27%	0.267	S	S	*	.	H	α-helix	trans	-65.3	-39	179.1	-102.2	141.1	0	0	0	113.1	A600 V601 R606 W619	A600-L604 WeakPolarHBondContact O-CB 3.37Å; A600-L604 PolarHBondContact O-N 3.42Å; V601-L604 PolarHBondContact O-N 2.84Å; L604-R606 VanDerWaalsContact C-N 3.28Å; L604-R606 PolarHBondContact O-N 3.23Å; L604-W619 HydrophobicContact CD1-CD2 4.47Å; L604-W619 HydrophobicContact CD1-CE3 3.95Å; L604-W619 HydrophobicContact CD1-CZ3 4.33Å
605	L	85.7	Confident	89.5	Confident	81 Å²	81	66.1 Å²	66.1	42%	0.424	30%	0.301	S	S	.	.	H	α-helix	trans	-81.8	-6.3	179.5	-67.8	178.6	0	0	0	113.4	V601	V601-L605 HydrophobicContact CG1-CD1 3.58Å; V601-L605 HydrophobicContact CG1-CG 4.17Å; V601-L605 WeakPolarHBondContact O-CB 3.3Å; V601-L605 WeakPolarHBondContact O-CG 3.42Å; V601-L605 PolarHBondContact O-N 3.49Å
606	R	83.2	Confident	89.5	Confident	193 Å²	193	73.5 Å²	73.5	73%	0.728	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	56.4	-172.7	-59.5	-175.8	-177.5	-176.7	-1.8	110.9	Q602 T603 L604	Q602-R606 PolarHBondContact O-N 2.78Å; Q602-R606 VanDerWaalsContact O-N 3.16Å; T603-R606 PolarHBondContact O-N 3.19Å; L604-R606 VanDerWaalsContact C-N 3.28Å; L604-R606 PolarHBondContact O-N 3.23Å
607	T	79.9	Confident	89.4	Confident	29 Å²	29	74.9 Å²	74.9	18%	0.178	34%	0.335	C	S	.	.			trans	-60.5	130.2	177.9	-60.8	0	0	0	0	109.6	Q602 N609 W610 Y678	Q602-T607 PolarHBondContact O-N 3.39Å; Q602-T607 VanDerWaalsContact O-N 3.11Å; T607-N609 VanDerWaalsContact C-N 3.27Å; T607-N609 PolarHBondContact O-N 2.7Å; T607-N609 VanDerWaalsContact O-N 3.1Å; T607-W610 HydrophobicContact CG2-CB 4.5Å; T607-W610 PolarHBondContact O-N 2.88Å; T607-Y678 WeakPolarHBondContact CA-OH 3.23Å; T607-Y678 HydrophobicContact CG2-CE2 4.16Å; T607-Y678 PolarHBondContact OG1-OH 2.98Å
608	P	73.4	Confident	89.4	Confident	24 Å²	24	76.6 Å²	76.6	16%	0.156	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-39.7	-168.8	-31.6	35.9	0	0	0	115.1	R611 E685	P608-R611 PolarHBondContact O-NE 3.4Å; P608-E685 WeakPolarHBondContact CA-OE1 3.41Å; P608-E685 WeakPolarHBondContact CB-OE1 3.39Å
609	N	82.6	Confident	89.4	Confident	143 Å²	143	81.4 Å²	81.4	77%	0.765	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-0.8	-177.5	-63.6	-14.8	0	0	0	114	N179 T607	N179-N609 PolarHBondContact ND2-O 3.27Å; N179-N609 PolarHBondContact OD1-O 3.09Å; T607-N609 VanDerWaalsContact C-N 3.27Å; T607-N609 PolarHBondContact O-N 2.7Å; T607-N609 VanDerWaalsContact O-N 3.1Å
610	W	85.9	Confident	89.5	Confident	15 Å²	15	84.3 Å²	84.3	6%	0.057	38%	0.377	C	S	.	.			trans	-99.1	99.3	-177.8	-178.6	-100.9	0	0	0	110.4	A175 I176 N179 L195 C599 Q602 T603 T607 P612	A175-W610 HydrophobicContact CB-CH2 4.46Å; A175-W610 HydrophobicContact CB-CZ2 4.39Å; I176-W610 HydrophobicContact CG1-CH2 3.86Å; I176-W610 HydrophobicContact CG1-CZ3 4.19Å; N179-W610 HydrophobicContact CB-CE3 4.25Å; N179-W610 HydrophobicContact CB-CZ3 4.12Å; L195-W610 HydrophobicContact CD2-CE3 4.25Å; L195-W610 HydrophobicContact CD2-CH2 4.05Å; L195-W610 HydrophobicContact CD2-CZ3 3.61Å; C599-W610 HydrophobicContact CB-CH2 4.3Å; C599-W610 HydrophobicContact CB-CZ2 4.02Å; Q602-W610 HydrophobicContact CB-CB 4.1Å; Q602-W610 HydrophobicContact CB-CD2 3.9Å; Q602-W610 HydrophobicContact CB-CG 3.65Å; Q602-W610 VanDerWaalsContact OE1-CD2 3.31Å; T603-W610 PolarHBondContact OG1-NE1 3.04Å; T607-W610 HydrophobicContact CG2-CB 4.5Å; T607-W610 PolarHBondContact O-N 2.88Å; W610-P612 HydrophobicContact CZ2-CB 4.34Å; W610-P612 HydrophobicContact CZ2-CG 4.14Å
611	R	89.7	Confident	89.5	Confident	172 Å²	172	86.7 Å²	86.7	65%	0.649	39%	0.39	S	S	*	.			trans	-137	69.1	-179.4	-60.1	-177.2	-170.4	-172.9	-1.5	110	N179 P608 R613 E685	N179-R611 PolarHBondContact OD1-N 3.31Å; P608-R611 PolarHBondContact O-NE 3.4Å; R611-R613 PolarHBondContact O-N 3.17Å; R611-E685 IonicContact NH2-OE1 3.72Å; R611-E685 PolarHBondContact NH2-OE1 3.4Å; R611-E685 VanDerWaalsContact NH2-OE1 3.15Å
612	P	88.8	Confident	89.6	Confident	33 Å²	33	84.3 Å²	84.3	21%	0.214	38%	0.375	C	S	.	.			trans	-62.8	125.7	-177.5	26.4	-33.9	0	0	0	110.4	A175 W610 Y617	A175-P612 HydrophobicContact CB-CB 3.88Å; W610-P612 HydrophobicContact CZ2-CB 4.34Å; W610-P612 HydrophobicContact CZ2-CG 4.14Å; P612-Y617 HydrophobicContact CB-CD1 4.05Å; P612-Y617 HydrophobicContact CB-CE1 4.33Å; P612-Y617 HydrophobicContact CG-CD1 3.62Å; P612-Y617 HydrophobicContact CG-CE1 3.57Å
613	R	90.3	Very high	89.9	Confident	170 Å²	170	88.6 Å²	88.6	64%	0.642	39%	0.394	S	S	*	.			trans	-91.2	1.8	-179.1	-67.3	-175.2	-68.6	165.1	3.5	113.8	Q451 R611 R615	Q451-R613 VanDerWaalsContact CD-NH2 3.29Å; Q451-R613 VanDerWaalsContact NE2-NH2 3.2Å; R611-R613 PolarHBondContact O-N 3.17Å; R613-R615 PolarHBondContact O-N 3.03Å
614	F	91.1	Very high	90.1	Very high	37 Å²	37	90.6 Å²	90.6	16%	0.162	40%	0.402	C	S	.	.			trans	-74.4	117.8	-177.5	-173.1	-118.7	0	0	0	111.8	I171 T178 P455 I459 Y616 Y617	I171-F614 HydrophobicContact CG2-CE1 4.27Å; T178-F614 HydrophobicContact CG2-CB 4.31Å; T178-F614 WeakPolarHBondContact OG1-CB 3.38Å; T178-F614 PolarHBondContact OG1-N 3.48Å; P455-F614 HydrophobicContact CB-CD2 4.37Å; P455-F614 HydrophobicContact CB-CE2 3.94Å; I459-F614 HydrophobicContact CD1-CZ 3.95Å; F614-Y616 VanDerWaalsContact C-N 3.31Å; F614-Y616 HydrophobicContact CE1-CD2 4.3Å; F614-Y616 HydrophobicContact CE2-CD2 4.27Å; F614-Y616 AromaticContact CZ-CD2 3.83Å; F614-Y616 HydrophobicContact CZ-CD2 3.83Å; F614-Y616 HydrophobicContact CZ-CG 4.48Å; F614-Y616 PolarHBondContact O-N 3.27Å; F614-Y617 VanDerWaalsContact O-CB 3.31Å; F614-Y617 WeakPolarHBondContact O-CB 3.19Å; F614-Y617 PolarHBondContact O-N 3.25Å; F614-Y617 VanDerWaalsContact O-N 3.11Å
615	R	91.6	Very high	90.4	Very high	215 Å²	215	85.4 Å²	85.4	81%	0.811	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-35.6	-174	-174.9	178.8	-179.9	179.4	2	115.2	R613 Y617	R613-R615 PolarHBondContact O-N 3.03Å; R615-Y617 VanDerWaalsContact C-N 3.33Å
616	Y	93.2	Very high	90.9	Very high	157 Å²	157	83.1 Å²	83.1	62%	0.616	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	8.9	-176.6	-54.4	-72	0	0	0	113.3	F614 L621	F614-Y616 VanDerWaalsContact C-N 3.31Å; F614-Y616 HydrophobicContact CE1-CD2 4.3Å; F614-Y616 HydrophobicContact CE2-CD2 4.27Å; F614-Y616 AromaticContact CZ-CD2 3.83Å; F614-Y616 HydrophobicContact CZ-CD2 3.83Å; F614-Y616 HydrophobicContact CZ-CG 4.48Å; F614-Y616 PolarHBondContact O-N 3.27Å; Y616-L621 WeakPolarHBondContact O-CD1 3.41Å
617	Y	95	Very high	91.5	Very high	28 Å²	28	76.1 Å²	76.1	11%	0.11	34%	0.343	C	S	.	.			trans	-83.2	133	175.5	175.3	-105.4	0	0	0	110.9	I171 A175 C599 T603 P612 F614 R615 S622	I171-Y617 HydrophobicContact CG2-CD2 4.48Å; A175-Y617 HydrophobicContact CB-CD1 4.21Å; A175-Y617 HydrophobicContact CB-CD2 3.32Å; A175-Y617 HydrophobicContact CB-CE2 3.66Å; A175-Y617 HydrophobicContact CB-CG 3.62Å; C599-Y617 VanDerWaalsContact C-OH 3.31Å; C599-Y617 HydrophobicContact CB-CE2 4.24Å; C599-Y617 PolarHBondContact O-OH 3.45Å; T603-Y617 PolarHBondContact OG1-OH 3.21Å; P612-Y617 HydrophobicContact CB-CD1 4.05Å; P612-Y617 HydrophobicContact CB-CE1 4.33Å; P612-Y617 HydrophobicContact CG-CD1 3.62Å; P612-Y617 HydrophobicContact CG-CE1 3.57Å; F614-Y617 VanDerWaalsContact O-CB 3.31Å; F614-Y617 WeakPolarHBondContact O-CB 3.19Å; F614-Y617 PolarHBondContact O-N 3.25Å; F614-Y617 VanDerWaalsContact O-N 3.11Å; R615-Y617 VanDerWaalsContact C-N 3.33Å; Y617-S622 VanDerWaalsContact CE2-OG 3.3Å; Y617-S622 WeakPolarHBondContact CE2-OG 3.4Å
618	H	95.3	Very high	92.2	Very high	90 Å²	90	77 Å²	77	42%	0.417	35%	0.347	S	S	.	.			trans	-145.6	144.8	166.6	-170.2	-95.8	0	0	0	109.3	T620 L621	H618-T620 PolarHBondContact ND1-N 3.48Å; H618-T620 PolarHBondContact ND1-OG1 2.9Å; H618-T620 PolarHBondContact O-N 3.19Å; H618-T620 VanDerWaalsContact O-N 3.14Å; H618-L621 HydrophobicContact CB-CD1 4.43Å; H618-L621 HydrophobicContact CB-CG 4.46Å; H618-L621 WeakPolarHBondContact O-CB 3.44Å; H618-L621 PolarHBondContact O-N 3.18Å
619	W	94.9	Very high	93.3	Very high	101 Å²	101	75.9 Å²	75.9	38%	0.383	34%	0.339	S	S	.	.	H	α-helix	trans	-59.4	-30.2	-175	68.9	-91.9	0	0	0	113.1	T603 L604 L621 S622 F623	T603-W619 HydrophobicContact CG2-CB 4.02Å; L604-W619 HydrophobicContact CD1-CD2 4.47Å; L604-W619 HydrophobicContact CD1-CE3 3.95Å; L604-W619 HydrophobicContact CD1-CZ3 4.33Å; W619-L621 VanDerWaalsContact C-N 3.34Å; W619-L621 PolarHBondContact O-N 2.84Å; W619-S622 PolarHBondContact O-N 3.27Å; W619-F623 PolarHBondContact O-N 2.91Å
620	T	96.3	Very high	93.9	Very high	61 Å²	61	72.4 Å²	72.4	37%	0.374	32%	0.32	S	S	.	.	H	α-helix	trans	-66.9	-32.4	176.6	59.1	0	0	0	0	112.8	H618 F623 L624	H618-T620 PolarHBondContact ND1-N 3.48Å; H618-T620 PolarHBondContact ND1-OG1 2.9Å; H618-T620 PolarHBondContact O-N 3.19Å; H618-T620 VanDerWaalsContact O-N 3.14Å; T620-F623 PolarHBondContact O-N 2.85Å; T620-L624 WeakPolarHBondContact O-CB 3.4Å; T620-L624 PolarHBondContact O-N 3.41Å
621	L	95.6	Very high	94.3	Very high	55 Å²	55	73.7 Å²	73.7	29%	0.288	33%	0.334	S	S	.	.	H	α-helix	trans	-68.4	-42.4	176.9	-66	175.2	0	0	0	110.7	L168 I171 Y616 H618 W619 L624 G625	L168-L621 HydrophobicContact CD2-CB 4.22Å; L168-L621 HydrophobicContact CD2-CD2 4.12Å; I171-L621 HydrophobicContact CG2-CD1 4.47Å; Y616-L621 WeakPolarHBondContact O-CD1 3.41Å; H618-L621 HydrophobicContact CB-CD1 4.43Å; H618-L621 HydrophobicContact CB-CG 4.46Å; H618-L621 WeakPolarHBondContact O-CB 3.44Å; H618-L621 PolarHBondContact O-N 3.18Å; W619-L621 VanDerWaalsContact C-N 3.34Å; W619-L621 PolarHBondContact O-N 2.84Å; L621-L624 PolarHBondContact O-N 3.04Å; L621-G625 PolarHBondContact O-N 3.37Å
622	S	96.1	Very high	94.5	Very high	0 Å²	0	66 Å²	66	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-64.3	-40.8	172.7	-61.4	0	0	0	0	111.6	S172 N596 Y617 W619 L624 G625 M626	S172-S622 WeakPolarHBondContact OG-CB 3.3Å; S172-S622 PolarHBondContact OG-OG 3.35Å; N596-S622 WeakPolarHBondContact CB-O 3.42Å; N596-S622 WeakPolarHBondContact O-CB 3.48Å; Y617-S622 VanDerWaalsContact CE2-OG 3.3Å; Y617-S622 WeakPolarHBondContact CE2-OG 3.4Å; W619-S622 PolarHBondContact O-N 3.27Å; S622-L624 VanDerWaalsContact C-N 3.35Å; S622-L624 PolarHBondContact O-N 3.38Å; S622-G625 PolarHBondContact O-N 2.86Å; S622-M626 WeakPolarHBondContact O-CB 3.41Å; S622-M626 PolarHBondContact O-N 3.44Å
623	F	96.6	Very high	94.7	Very high	106 Å²	106	64.5 Å²	64.5	47%	0.465	30%	0.296	S	S	.	.	H	α-helix	trans	-62.8	-40.2	175.5	-174.2	-96.6	0	0	0	112.4	W619 T620 M626 S627	W619-F623 PolarHBondContact O-N 2.91Å; T620-F623 PolarHBondContact O-N 2.85Å; F623-M626 HydrophobicContact CD2-CE 3.57Å; F623-M626 HydrophobicContact CE2-CE 3.41Å; F623-M626 VanDerWaalsContact CE2-CE 3.41Å; F623-M626 HydrophobicContact CG-CE 4.37Å; F623-M626 HydrophobicContact CZ-CE 4.1Å; F623-M626 WeakPolarHBondContact O-CB 3.32Å; F623-M626 PolarHBondContact O-N 3.49Å; F623-S627 PolarHBondContact O-N 2.97Å; F623-S627 PolarHBondContact O-OG 3.34Å
624	L	96.9	Very high	94.8	Very high	83 Å²	83	60 Å²	60	44%	0.435	28%	0.281	S	S	.	.	H	α-helix	trans	-64.5	-40.8	173.5	-177	66.6	0	0	0	111.9	L168 T620 L621 S622 M626 S627 L628	L168-L624 HydrophobicContact CD1-CB 4.34Å; L168-L624 HydrophobicContact CD1-CD2 3.96Å; L168-L624 HydrophobicContact CD1-CG 3.9Å; L168-L624 HydrophobicContact CD2-CD2 4.46Å; T620-L624 WeakPolarHBondContact O-CB 3.4Å; T620-L624 PolarHBondContact O-N 3.41Å; L621-L624 PolarHBondContact O-N 3.04Å; S622-L624 VanDerWaalsContact C-N 3.35Å; S622-L624 PolarHBondContact O-N 3.38Å; L624-M626 VanDerWaalsContact C-N 3.34Å; L624-M626 PolarHBondContact O-N 3.11Å; L624-S627 PolarHBondContact O-N 3.46Å; L624-S627 PolarHBondContact O-OG 2.96Å; L624-L628 HydrophobicContact CG-CD1 4.33Å; L624-L628 WeakPolarHBondContact O-CG 3.43Å; L624-L628 PolarHBondContact O-N 2.77Å
625	G	96.3	Very high	94.8	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.7	-42.8	174.6	0	0	0	0	0	112	L621 S622 L628 C629	L621-G625 PolarHBondContact O-N 3.37Å; S622-G625 PolarHBondContact O-N 2.86Å; G625-L628 PolarHBondContact O-N 3.48Å; G625-C629 PolarHBondContact O-N 3.14Å; G625-C629 PolarHBondContact O-SG 3.3Å
626	M	95.7	Very high	94.5	Very high	33 Å²	33	52.8 Å²	52.8	16%	0.163	26%	0.262	C	S	.	.	H	α-helix	trans	-61	-46.8	175.1	-178.9	-160.5	72.9	0	0	111.7	M593 N596 L597 S622 F623 L624 C629 L630	M593-M626 HydrophobicContact CG-CG 3.91Å; N596-M626 HydrophobicContact CB-CB 3.91Å; L597-M626 HydrophobicContact CB-CG 4.2Å; L597-M626 HydrophobicContact CB-SD 3.86Å; L597-M626 HydrophobicContact CD1-SD 3.53Å; L597-M626 VanDerWaalsContact CD1-SD 3.53Å; L597-M626 HydrophobicContact CG-SD 4.22Å; S622-M626 WeakPolarHBondContact O-CB 3.41Å; S622-M626 PolarHBondContact O-N 3.44Å; F623-M626 HydrophobicContact CD2-CE 3.57Å; F623-M626 HydrophobicContact CE2-CE 3.41Å; F623-M626 VanDerWaalsContact CE2-CE 3.41Å; F623-M626 HydrophobicContact CG-CE 4.37Å; F623-M626 HydrophobicContact CZ-CE 4.1Å; F623-M626 WeakPolarHBondContact O-CB 3.32Å; F623-M626 PolarHBondContact O-N 3.49Å; L624-M626 VanDerWaalsContact C-N 3.34Å; L624-M626 PolarHBondContact O-N 3.11Å; M626-C629 PolarHBondContact O-N 3.47Å; M626-L630 WeakPolarHBondContact O-CB 3.49Å; M626-L630 PolarHBondContact O-N 2.94Å
627	S	96.5	Very high	94.3	Very high	46 Å²	46	46 Å²	46	32%	0.322	24%	0.237	S	C	.	.	H	α-helix	trans	-66.5	-38	-179.1	66.4	0	0	0	0	112.5	F623 L624 L630 A631	F623-S627 PolarHBondContact O-N 2.97Å; F623-S627 PolarHBondContact O-OG 3.34Å; L624-S627 PolarHBondContact O-N 3.46Å; L624-S627 PolarHBondContact O-OG 2.96Å; S627-L630 PolarHBondContact O-N 3.45Å; S627-A631 WeakPolarHBondContact O-CB 3.24Å; S627-A631 PolarHBondContact O-N 3.23Å
628	L	95.2	Very high	94.1	Very high	49 Å²	49	52.2 Å²	52.2	26%	0.257	26%	0.26	S	S	.	.	H	α-helix	trans	-65.9	-42.5	173.6	-73.8	173.4	0	0	0	112.4	L168 L624 G625 L630 A631 L632	L168-L628 HydrophobicContact CD1-CD1 3.66Å; L624-L628 HydrophobicContact CG-CD1 4.33Å; L624-L628 WeakPolarHBondContact O-CG 3.43Å; L624-L628 PolarHBondContact O-N 2.77Å; G625-L628 PolarHBondContact O-N 3.48Å; L628-L630 VanDerWaalsContact C-N 3.31Å; L628-L630 PolarHBondContact O-N 3.21Å; L628-A631 PolarHBondContact O-N 3.4Å; L628-L632 WeakPolarHBondContact O-CG 3.31Å; L628-L632 PolarHBondContact O-N 3.17Å
629	C	95.7	Very high	94	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-58.6	-46.6	174.2	-66.8	0	0	0	0	110.8	C165 L589 M593 G625 M626 L632 M633	C165-C629 PolarHBondContact SG-SG 2.96Å; L589-C629 HydrophobicContact CD2-CB 4.44Å; M593-C629 HydrophobicContact CB-CB 3.84Å; M593-C629 HydrophobicContact CG-CB 4.46Å; G625-C629 PolarHBondContact O-N 3.14Å; G625-C629 PolarHBondContact O-SG 3.3Å; M626-C629 PolarHBondContact O-N 3.47Å; C629-L632 PolarHBondContact O-N 3.03Å; C629-M633 WeakPolarHBondContact O-CG 3.3Å; C629-M633 PolarHBondContact O-N 3.01Å
630	L	94.6	Very high	93.8	Very high	69 Å²	69	55.1 Å²	55.1	36%	0.361	27%	0.269	S	S	.	.	H	α-helix	trans	-61.1	-47.6	178.5	-168.8	117	0	0	0	111.3	M593 M626 S627 L628 L632 M633 F634 M645	M593-L630 HydrophobicContact SD-CD1 3.91Å; M626-L630 WeakPolarHBondContact O-CB 3.49Å; M626-L630 PolarHBondContact O-N 2.94Å; S627-L630 PolarHBondContact O-N 3.45Å; L628-L630 VanDerWaalsContact C-N 3.31Å; L628-L630 PolarHBondContact O-N 3.21Å; L630-L632 PolarHBondContact O-N 3.39Å; L630-M633 HydrophobicContact CB-CE 4.46Å; L630-M633 PolarHBondContact O-N 3.38Å; L630-F634 HydrophobicContact CD1-CE2 4.26Å; L630-F634 HydrophobicContact CD2-CD2 4.13Å; L630-F634 HydrophobicContact CD2-CE2 4.05Å; L630-F634 HydrophobicContact CG-CD2 3.98Å; L630-F634 HydrophobicContact CG-CE2 3.91Å; L630-F634 WeakPolarHBondContact O-CD2 3.29Å; L630-F634 PolarHBondContact O-N 2.74Å; L630-F634 VanDerWaalsContact O-N 3.13Å; L630-M645 HydrophobicContact CD1-SD 4.1Å
631	A	94.5	Very high	93.5	Very high	43 Å²	43	52.2 Å²	52.2	36%	0.355	25%	0.252	S	S	.	.	H	α-helix	trans	-57	-46.8	177.2	0	0	0	0	0	112	S627 L628 M633 F634 I635	S627-A631 WeakPolarHBondContact O-CB 3.24Å; S627-A631 PolarHBondContact O-N 3.23Å; L628-A631 PolarHBondContact O-N 3.4Å; A631-M633 PolarHBondContact O-N 3.07Å; A631-F634 PolarHBondContact O-N 3.4Å; A631-I635 WeakPolarHBondContact O-CB 3.35Å; A631-I635 WeakPolarHBondContact O-CD1 3.37Å; A631-I635 WeakPolarHBondContact O-CG1 3.17Å; A631-I635 PolarHBondContact O-N 2.92Å
632	L	93.8	Very high	93.4	Very high	10 Å²	10	53.5 Å²	53.5	5%	0.052	26%	0.259	C	S	.	.	H	α-helix	trans	-63.4	-37.9	179.1	-71.2	175.1	0	0	0	113	I161 C165 V427 F431 L589 L628 C629 L630 I635 C636	I161-L632 HydrophobicContact CG2-CD1 4.38Å; I161-L632 HydrophobicContact CG2-CD2 3.94Å; I161-L632 HydrophobicContact CG2-CG 4.48Å; C165-L632 HydrophobicContact CB-CD1 4.11Å; V427-L632 HydrophobicContact CG1-CD2 3.8Å; F431-L632 HydrophobicContact CD2-CD1 4.45Å; F431-L632 HydrophobicContact CE2-CD1 4.25Å; L589-L632 HydrophobicContact CD1-CB 3.82Å; L589-L632 HydrophobicContact CD2-CB 3.85Å; L589-L632 HydrophobicContact CD2-CD1 3.95Å; L628-L632 WeakPolarHBondContact O-CG 3.31Å; L628-L632 PolarHBondContact O-N 3.17Å; C629-L632 PolarHBondContact O-N 3.03Å; L630-L632 PolarHBondContact O-N 3.39Å; L632-I635 PolarHBondContact O-N 2.89Å; L632-C636 WeakPolarHBondContact O-CB 3.37Å; L632-C636 PolarHBondContact O-N 3.36Å
633	M	92.9	Very high	93.2	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-62.8	-47.8	175.8	-71.3	-171.9	-62	0	0	111.7	M586 L589 M590 M593 C629 L630 A631 I635 C636 S637 A641 M645	M586-M633 HydrophobicContact SD-CB 3.81Å; M586-M633 HydrophobicContact SD-CG 3.8Å; M586-M633 HydrophobicContact SD-SD 4.15Å; L589-M633 HydrophobicContact CB-CG 3.39Å; L589-M633 HydrophobicContact CB-SD 3.94Å; L589-M633 HydrophobicContact CD1-CG 3.82Å; L589-M633 HydrophobicContact CG-CG 4.19Å; M590-M633 HydrophobicContact CB-SD 4.01Å; M593-M633 HydrophobicContact CB-CE 4.37Å; M593-M633 HydrophobicContact CE-CE 4.38Å; M593-M633 HydrophobicContact CG-CE 4.4Å; M593-M633 HydrophobicContact SD-CE 3.46Å; M593-M633 WeakPolarHBondContact SD-CE 3.3Å; C629-M633 WeakPolarHBondContact O-CG 3.3Å; C629-M633 PolarHBondContact O-N 3.01Å; L630-M633 HydrophobicContact CB-CE 4.46Å; L630-M633 PolarHBondContact O-N 3.38Å; A631-M633 PolarHBondContact O-N 3.07Å; M633-I635 VanDerWaalsContact C-N 3.32Å; M633-I635 PolarHBondContact O-N 2.93Å; M633-C636 PolarHBondContact O-N 2.74Å; M633-S637 CarbonylContact O-C 3.58Å; M633-S637 PolarHBondContact O-N 3.03Å; M633-A641 HydrophobicContact CB-CB 3.96Å; M633-M645 HydrophobicContact CE-SD 4.47Å
634	F	93.5	Very high	92.9	Very high	75 Å²	75	53 Å²	53	33%	0.329	27%	0.266	S	S	.	.	H	α-helix	trans	-65.9	-35.6	179.5	-85.7	-85.8	0	0	0	112.5	L630 A631 W638 L642 M645	L630-F634 HydrophobicContact CD1-CE2 4.26Å; L630-F634 HydrophobicContact CD2-CD2 4.13Å; L630-F634 HydrophobicContact CD2-CE2 4.05Å; L630-F634 HydrophobicContact CG-CD2 3.98Å; L630-F634 HydrophobicContact CG-CE2 3.91Å; L630-F634 WeakPolarHBondContact O-CD2 3.29Å; L630-F634 PolarHBondContact O-N 2.74Å; L630-F634 VanDerWaalsContact O-N 3.13Å; A631-F634 PolarHBondContact O-N 3.4Å; F634-W638 HydrophobicContact CD1-CB 3.76Å; F634-W638 HydrophobicContact CE1-CB 4.4Å; F634-W638 PolarHBondContact O-N 3.44Å; F634-L642 HydrophobicContact CE1-CD2 4.16Å; F634-L642 HydrophobicContact CE1-CG 4.24Å; F634-L642 HydrophobicContact CZ-CD2 3.98Å; F634-L642 HydrophobicContact CZ-CG 4.45Å; F634-M645 HydrophobicContact CE2-CE 3.62Å; F634-M645 HydrophobicContact CZ-CE 3.59Å
635	I	90.6	Very high	92.7	Very high	76 Å²	76	51.1 Å²	51.1	39%	0.39	26%	0.255	S	S	.	.	H	α-helix	trans	-66	-41.7	175.5	-72.6	167.4	0	0	0	111.2	T424 A631 L632 M633	T424-I635 WeakPolarHBondContact CB-O 3.37Å; T424-I635 HydrophobicContact CG2-CG2 3.47Å; T424-I635 VanDerWaalsContact CG2-CG2 3.47Å; A631-I635 WeakPolarHBondContact O-CB 3.35Å; A631-I635 WeakPolarHBondContact O-CD1 3.37Å; A631-I635 WeakPolarHBondContact O-CG1 3.17Å; A631-I635 PolarHBondContact O-N 2.92Å; L632-I635 PolarHBondContact O-N 2.89Å; M633-I635 VanDerWaalsContact C-N 3.32Å; M633-I635 PolarHBondContact O-N 2.93Å
636	C	86.1	Confident	92.5	Very high	26 Å²	26	56.5 Å²	56.5	18%	0.176	28%	0.283	C	S	.	.	H	α-helix	trans	-67.3	-55.3	179.4	-174	0	0	0	0	111.5	M586 L632 M633	M586-C636 HydrophobicContact CE-CB 4.49Å; L632-C636 WeakPolarHBondContact O-CB 3.37Å; L632-C636 PolarHBondContact O-N 3.36Å; M633-C636 PolarHBondContact O-N 2.74Å
637	S	88.1	Confident	92.3	Very high	15 Å²	15	59.2 Å²	59.2	11%	0.105	30%	0.297	C	S	.	.	H	α-helix	trans	-163.4	106.9	173.4	174.2	0	0	0	0	110.3	M586 M633 Y639 Y640 A641	M586-S637 WeakPolarHBondContact CE-O 3.37Å; M633-S637 CarbonylContact O-C 3.58Å; M633-S637 PolarHBondContact O-N 3.03Å; S637-Y639 VanDerWaalsContact C-N 3.34Å; S637-Y639 PolarHBondContact O-N 2.81Å; S637-Y639 WeakPolarHBondContact OG-CD1 3.47Å; S637-Y639 WeakPolarHBondContact OG-CE1 3.41Å; S637-Y640 WeakPolarHBondContact OG-CD2 3.5Å; S637-A641 VanDerWaalsContact O-CB 3.3Å; S637-A641 WeakPolarHBondContact O-CB 3.3Å; S637-A641 PolarHBondContact O-N 3.49Å
638	W	92.1	Very high	92	Very high	157 Å²	157	57.1 Å²	57.1	60%	0.595	28%	0.283	S	S	*	.	H	α-helix	trans	-62.2	-37.4	-176.8	69.8	-88.9	0	0	0	113.5	F634 A641 L642	F634-W638 HydrophobicContact CD1-CB 3.76Å; F634-W638 HydrophobicContact CE1-CB 4.4Å; F634-W638 PolarHBondContact O-N 3.44Å; W638-A641 PolarHBondContact O-N 3.3Å; W638-L642 HydrophobicContact CE3-CD1 3.74Å; W638-L642 HydrophobicContact CZ3-CD1 3.86Å; W638-L642 WeakPolarHBondContact O-CG 3.38Å; W638-L642 PolarHBondContact O-N 3.37Å
639	Y	91.6	Very high	91.8	Very high	112 Å²	112	56.4 Å²	56.4	44%	0.439	29%	0.287	S	S	.	.	H	α-helix	trans	-75.3	-40.7	-176.5	56.7	-87.2	0	0	0	111.6	S637 A641 L642 V643	S637-Y639 VanDerWaalsContact C-N 3.34Å; S637-Y639 PolarHBondContact O-N 2.81Å; S637-Y639 WeakPolarHBondContact OG-CD1 3.47Å; S637-Y639 WeakPolarHBondContact OG-CE1 3.41Å; Y639-A641 VanDerWaalsContact C-N 3.33Å; Y639-L642 PolarHBondContact O-N 2.92Å; Y639-V643 WeakPolarHBondContact O-CG2 3.47Å; Y639-V643 PolarHBondContact O-N 3.27Å; Y639-V643 VanDerWaalsContact O-N 3.15Å
640	Y	90.5	Very high	91.7	Very high	140 Å²	140	61.9 Å²	61.9	55%	0.549	32%	0.316	S	S	.	.	H	α-helix	trans	-66.3	-36.6	171.8	-68.4	-44.6	0	0	0	111.8	S637 V643 A644	S637-Y640 WeakPolarHBondContact OG-CD2 3.5Å; Y640-V643 PolarHBondContact O-N 3.48Å; Y640-A644 VanDerWaalsContact O-CB 3.24Å; Y640-A644 WeakPolarHBondContact O-CB 3.43Å; Y640-A644 PolarHBondContact O-N 2.92Å
641	A	91.9	Very high	91.5	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-60.4	-45.8	174.8	0	0	0	0	0	112	M586 M633 S637 W638 Y639 A644 M645	M586-A641 HydrophobicContact CE-CB 4.04Å; M586-A641 HydrophobicContact SD-CB 3.88Å; M633-A641 HydrophobicContact CB-CB 3.96Å; S637-A641 VanDerWaalsContact O-CB 3.3Å; S637-A641 WeakPolarHBondContact O-CB 3.3Å; S637-A641 PolarHBondContact O-N 3.49Å; W638-A641 PolarHBondContact O-N 3.3Å; Y639-A641 VanDerWaalsContact C-N 3.33Å; A641-A644 PolarHBondContact O-N 2.86Å; A641-M645 WeakPolarHBondContact O-CB 3.4Å; A641-M645 WeakPolarHBondContact O-CE 3.3Å; A641-M645 WeakPolarHBondContact O-CG 3.47Å; A641-M645 PolarHBondContact O-N 3.45Å
642	L	93.1	Very high	91.4	Very high	83 Å²	83	61.9 Å²	61.9	44%	0.435	31%	0.305	S	S	.	.	H	α-helix	trans	-61.5	-45.5	177.1	-73.9	175.1	0	0	0	112.3	F634 W638 Y639 M645 L646	F634-L642 HydrophobicContact CE1-CD2 4.16Å; F634-L642 HydrophobicContact CE1-CG 4.24Å; F634-L642 HydrophobicContact CZ-CD2 3.98Å; F634-L642 HydrophobicContact CZ-CG 4.45Å; W638-L642 HydrophobicContact CE3-CD1 3.74Å; W638-L642 HydrophobicContact CZ3-CD1 3.86Å; W638-L642 WeakPolarHBondContact O-CG 3.38Å; W638-L642 PolarHBondContact O-N 3.37Å; Y639-L642 PolarHBondContact O-N 2.92Å; L642-M645 HydrophobicContact CD2-CE 4.02Å; L642-L646 WeakPolarHBondContact O-CB 3.44Å; L642-L646 PolarHBondContact O-N 3.33Å
643	V	92.2	Very high	91.3	Very high	82 Å²	82	67.2 Å²	67.2	50%	0.497	33%	0.328	S	S	.	.	H	α-helix	trans	-63.8	-44.9	178	173.8	0	0	0	0	110.8	Y639 Y640 L646 I647	Y639-V643 WeakPolarHBondContact O-CG2 3.47Å; Y639-V643 PolarHBondContact O-N 3.27Å; Y639-V643 VanDerWaalsContact O-N 3.15Å; Y640-V643 PolarHBondContact O-N 3.48Å; V643-L646 PolarHBondContact O-N 3.02Å; V643-I647 HydrophobicContact CG1-CD1 3.81Å; V643-I647 HydrophobicContact CG1-CG1 4.5Å; V643-I647 VanDerWaalsContact O-CG1 3.32Å; V643-I647 WeakPolarHBondContact O-CG1 3.44Å; V643-I647 PolarHBondContact O-N 3.47Å
644	A	90.4	Very high	91.3	Very high	14 Å²	14	71 Å²	71	12%	0.116	34%	0.343	C	S	.	.	H	α-helix	trans	-62.1	-46.3	178.8	0	0	0	0	0	112	M586 M590 Y640 A641 L646 I647 A648	M586-A644 HydrophobicContact CG-CB 4.38Å; M590-A644 HydrophobicContact CE-CB 4.14Å; M590-A644 HydrophobicContact SD-CB 3.9Å; Y640-A644 VanDerWaalsContact O-CB 3.24Å; Y640-A644 WeakPolarHBondContact O-CB 3.43Å; Y640-A644 PolarHBondContact O-N 2.92Å; A641-A644 PolarHBondContact O-N 2.86Å; A644-L646 VanDerWaalsContact C-N 3.35Å; A644-L646 PolarHBondContact O-N 3.32Å; A644-I647 PolarHBondContact O-N 3.46Å; A644-A648 WeakPolarHBondContact O-CB 3.41Å; A644-A648 PolarHBondContact O-N 3.33Å
645	M	91.2	Very high	91.2	Very high	43 Å²	43	67.6 Å²	67.6	21%	0.212	33%	0.328	C	S	.	.	H	α-helix	trans	-62.6	-39.6	176.7	-73.5	-173	-67.8	0	0	112.5	M593 L630 M633 F634 A641 L642 A648 G649	M593-M645 HydrophobicContact CE-CG 4.47Å; L630-M645 HydrophobicContact CD1-SD 4.1Å; M633-M645 HydrophobicContact CE-SD 4.47Å; F634-M645 HydrophobicContact CE2-CE 3.62Å; F634-M645 HydrophobicContact CZ-CE 3.59Å; A641-M645 WeakPolarHBondContact O-CB 3.4Å; A641-M645 WeakPolarHBondContact O-CE 3.3Å; A641-M645 WeakPolarHBondContact O-CG 3.47Å; A641-M645 PolarHBondContact O-N 3.45Å; L642-M645 HydrophobicContact CD2-CE 4.02Å; M645-A648 PolarHBondContact O-N 3.47Å; M645-G649 PolarHBondContact O-N 2.88Å
646	L	93.1	Very high	91.2	Very high	113 Å²	113	66.3 Å²	66.3	59%	0.592	32%	0.321	S	S	*	.	H	α-helix	trans	-62	-49.1	175.6	177.9	64	0	0	0	111.1	L642 V643 A644 A648 G649 L650	L642-L646 WeakPolarHBondContact O-CB 3.44Å; L642-L646 PolarHBondContact O-N 3.33Å; V643-L646 PolarHBondContact O-N 3.02Å; A644-L646 VanDerWaalsContact C-N 3.35Å; A644-L646 PolarHBondContact O-N 3.32Å; L646-A648 VanDerWaalsContact C-N 3.34Å; L646-A648 PolarHBondContact O-N 3.26Å; L646-G649 PolarHBondContact O-N 3Å; L646-L650 HydrophobicContact CG-CD1 4.42Å; L646-L650 WeakPolarHBondContact O-CG 3.37Å; L646-L650 PolarHBondContact O-N 2.91Å
647	I	91.7	Very high	91.5	Very high	90 Å²	90	69.2 Å²	69.2	46%	0.462	33%	0.328	S	S	.	.	H	α-helix	trans	-60.1	-45.9	178.7	-68.1	168.7	0	0	0	110.4	V643 A644 G649 L650 I651	V643-I647 HydrophobicContact CG1-CD1 3.81Å; V643-I647 HydrophobicContact CG1-CG1 4.5Å; V643-I647 VanDerWaalsContact O-CG1 3.32Å; V643-I647 WeakPolarHBondContact O-CG1 3.44Å; V643-I647 PolarHBondContact O-N 3.47Å; A644-I647 PolarHBondContact O-N 3.46Å; I647-G649 VanDerWaalsContact C-N 3.35Å; I647-G649 PolarHBondContact O-N 2.97Å; I647-L650 PolarHBondContact O-N 3.18Å; I647-I651 HydrophobicContact CG2-CD1 3.89Å; I647-I651 HydrophobicContact CG2-CG1 4.49Å; I647-I651 WeakPolarHBondContact O-CG1 3.42Å; I647-I651 PolarHBondContact O-N 3.03Å
648	A	89.5	Confident	91.6	Very high	2 Å²	2	72.3 Å²	72.3	2%	0.017	34%	0.338	C	S	.	.	H	α-helix	trans	-65.2	-36.9	178.9	0	0	0	0	0	113	M590 F594 A644 M645 L646 I651 Y652	M590-A648 HydrophobicContact SD-CB 3.64Å; F594-A648 HydrophobicContact CE2-CB 3.44Å; F594-A648 VanDerWaalsContact CE2-CB 3.44Å; F594-A648 HydrophobicContact CZ-CB 3.5Å; A644-A648 WeakPolarHBondContact O-CB 3.41Å; A644-A648 PolarHBondContact O-N 3.33Å; M645-A648 PolarHBondContact O-N 3.47Å; L646-A648 VanDerWaalsContact C-N 3.34Å; L646-A648 PolarHBondContact O-N 3.26Å; A648-I651 PolarHBondContact O-N 3.46Å; A648-Y652 WeakPolarHBondContact O-CB 3.47Å; A648-Y652 PolarHBondContact O-N 3.32Å
649	G	90.8	Very high	91.4	Very high	34 Å²	34	66.4 Å²	66.4	35%	0.351	33%	0.326	S	S	.	.	H	α-helix	trans	-63.7	-39.2	173	0	0	0	0	0	113	M645 L646 I647 Y652 K653	M645-G649 PolarHBondContact O-N 2.88Å; L646-G649 PolarHBondContact O-N 3Å; I647-G649 VanDerWaalsContact C-N 3.35Å; I647-G649 PolarHBondContact O-N 2.97Å; G649-Y652 PolarHBondContact O-N 3.04Å; G649-K653 PolarHBondContact O-N 3.48Å
650	L	93.3	Very high	91.3	Very high	114 Å²	114	61.3 Å²	61.3	60%	0.597	31%	0.306	S	S	*	.	H	α-helix	trans	-65.9	-41.5	173.7	-68.4	174.6	0	0	0	111.8	L646 I647 K653 Y654	L646-L650 HydrophobicContact CG-CD1 4.42Å; L646-L650 WeakPolarHBondContact O-CG 3.37Å; L646-L650 PolarHBondContact O-N 2.91Å; I647-L650 PolarHBondContact O-N 3.18Å; L650-K653 PolarHBondContact O-N 3.09Å; L650-Y654 VanDerWaalsContact O-CB 3.28Å; L650-Y654 WeakPolarHBondContact O-CB 3.45Å; L650-Y654 PolarHBondContact O-N 3.02Å
651	I	91.5	Very high	91.3	Very high	48 Å²	48	57.6 Å²	57.6	25%	0.246	29%	0.294	C	S	.	.	H	α-helix	trans	-61.4	-47.4	174.9	-70.3	168.5	0	0	0	110.5	A202 L205 I647 A648 K653 Y654 I655	A202-I651 HydrophobicContact CB-CG2 4.42Å; L205-I651 HydrophobicContact CD1-CD1 4.38Å; L205-I651 HydrophobicContact CD1-CG2 3.81Å; I647-I651 HydrophobicContact CG2-CD1 3.89Å; I647-I651 HydrophobicContact CG2-CG1 4.49Å; I647-I651 WeakPolarHBondContact O-CG1 3.42Å; I647-I651 PolarHBondContact O-N 3.03Å; A648-I651 PolarHBondContact O-N 3.46Å; I651-K653 PolarHBondContact O-N 2.92Å; I651-Y654 PolarHBondContact O-N 3.28Å; I651-I655 HydrophobicContact CG2-CD1 3.74Å; I651-I655 HydrophobicContact CG2-CG1 4.46Å; I651-I655 VanDerWaalsContact O-CG1 3.31Å; I651-I655 WeakPolarHBondContact O-CG1 3.5Å; I651-I655 PolarHBondContact O-N 3.02Å
652	Y	91.5	Very high	91.1	Very high	64 Å²	64	65.6 Å²	65.6	25%	0.251	33%	0.329	S	S	.	.	H	α-helix	trans	-55.7	-50.8	177.1	179.3	-82.4	0	0	0	111.2	E198 F199 A648 G649 Y654 I655 E656	E198-Y652 HydrophobicContact CB-CD2 3.87Å; E198-Y652 HydrophobicContact CB-CE2 3.51Å; F199-Y652 HydrophobicContact CD1-CD2 4.42Å; F199-Y652 HydrophobicContact CD1-CE2 4.01Å; F199-Y652 HydrophobicContact CD2-CE2 4.04Å; F199-Y652 HydrophobicContact CE1-CD2 4.47Å; F199-Y652 AromaticContact CE1-CE2 3.9Å; F199-Y652 HydrophobicContact CE1-CE2 3.9Å; F199-Y652 AromaticContact CE2-CE2 3.92Å; F199-Y652 HydrophobicContact CE2-CE2 3.92Å; F199-Y652 HydrophobicContact CG-CE2 4.08Å; F199-Y652 AromaticContact CZ-CE2 3.86Å; F199-Y652 HydrophobicContact CZ-CE2 3.86Å; A648-Y652 WeakPolarHBondContact O-CB 3.47Å; A648-Y652 PolarHBondContact O-N 3.32Å; G649-Y652 PolarHBondContact O-N 3.04Å; Y652-Y654 VanDerWaalsContact C-N 3.34Å; Y652-Y654 PolarHBondContact O-N 3.01Å; Y652-I655 PolarHBondContact O-N 3.47Å; Y652-E656 PolarHBondContact O-N 2.9Å
653	K	91.7	Very high	90.8	Very high	122 Å²	122	66.3 Å²	66.3	53%	0.53	33%	0.33	S	S	.	.	H	α-helix	trans	-66.1	-34.5	179.5	-80	-72.4	167.3	-160	0	113.2	G649 L650 I651 E656 Y657	G649-K653 PolarHBondContact O-N 3.48Å; L650-K653 PolarHBondContact O-N 3.09Å; I651-K653 PolarHBondContact O-N 2.92Å; K653-E656 WeakPolarHBondContact CD-OE2 3.48Å; K653-E656 WeakPolarHBondContact CE-OE2 3.08Å; K653-E656 IonicContact NZ-OE1 3.14Å; K653-E656 IonicContact NZ-OE2 2.68Å; K653-E656 PolarHBondContact NZ-OE2 3.42Å; K653-Y657 WeakPolarHBondContact O-CB 3.43Å; K653-Y657 PolarHBondContact O-N 3.22Å
654	Y	92.7	Very high	90.8	Very high	81 Å²	81	67.2 Å²	67.2	32%	0.318	33%	0.325	S	S	.	.	H	α-helix	trans	-64.3	-44.3	174.9	179.9	-95.6	0	0	0	111.7	V542 F544 L650 I651 Y652 Y657 R658	V542-Y654 HydrophobicContact CG1-CE1 4.34Å; F544-Y654 HydrophobicContact CE1-CE1 4.16Å; L650-Y654 VanDerWaalsContact O-CB 3.28Å; L650-Y654 WeakPolarHBondContact O-CB 3.45Å; L650-Y654 PolarHBondContact O-N 3.02Å; I651-Y654 PolarHBondContact O-N 3.28Å; Y652-Y654 VanDerWaalsContact C-N 3.34Å; Y652-Y654 PolarHBondContact O-N 3.01Å; Y654-Y657 PolarHBondContact O-N 2.78Å; Y654-R658 HydrophobicContact CD1-CG 4.31Å; Y654-R658 HydrophobicContact CE1-CG 3.81Å; Y654-R658 HydrophobicContact CE2-CG 4.25Å; Y654-R658 WeakPolarHBondContact O-CG 3.4Å; Y654-R658 PolarHBondContact O-N 2.94Å; Y654-R658 PolarHBondContact OH-NE 3.3Å
655	I	91.8	Very high	90.6	Very high	3 Å²	3	69.7 Å²	69.7	2%	0.015	35%	0.351	C	S	.	.	H	α-helix	trans	-65.3	-43.3	177.9	-64.6	164.9	0	0	0	110.4	E198 I541 V542 I651 Y652 Y657 R658 G659	E198-I655 HydrophobicContact CG-CG2 4.44Å; I541-I655 HydrophobicContact CB-CG2 4.22Å; I541-I655 HydrophobicContact CD1-CD1 4.38Å; V542-I655 HydrophobicContact CG2-CD1 4.33Å; V542-I655 HydrophobicContact CG2-CG1 4.05Å; I651-I655 HydrophobicContact CG2-CD1 3.74Å; I651-I655 HydrophobicContact CG2-CG1 4.46Å; I651-I655 VanDerWaalsContact O-CG1 3.31Å; I651-I655 WeakPolarHBondContact O-CG1 3.5Å; I651-I655 PolarHBondContact O-N 3.02Å; Y652-I655 PolarHBondContact O-N 3.47Å; I655-Y657 VanDerWaalsContact C-N 3.34Å; I655-Y657 PolarHBondContact O-N 2.99Å; I655-R658 PolarHBondContact O-N 3.08Å; I655-G659 PolarHBondContact O-N 3.18Å
656	E	90.8	Very high	90.5	Very high	50 Å²	50	71.2 Å²	71.2	23%	0.234	36%	0.36	C	S	.	.	H	α-helix	trans	-58.4	-45.2	175.9	-163.9	-169	161.5	0	0	111.6	E198 Y652 K653 G659 A660 L671	E198-E656 HydrophobicContact CG-CB 4.02Å; E198-E656 HydrophobicContact CG-CG 4.3Å; Y652-E656 PolarHBondContact O-N 2.9Å; K653-E656 WeakPolarHBondContact CD-OE2 3.48Å; K653-E656 WeakPolarHBondContact CE-OE2 3.08Å; K653-E656 IonicContact NZ-OE1 3.14Å; K653-E656 IonicContact NZ-OE2 2.68Å; K653-E656 PolarHBondContact NZ-OE2 3.42Å; E656-G659 PolarHBondContact O-N 3.26Å; E656-A660 WeakPolarHBondContact O-CB 3.25Å; E656-A660 PolarHBondContact O-N 3.23Å; E656-L671 HydrophobicContact CB-CD2 4.4Å; E656-L671 HydrophobicContact CG-CD2 3.6Å
657	Y	92.2	Very high	90.3	Very high	86 Å²	86	65.8 Å²	65.8	34%	0.337	33%	0.332	S	S	.	.	H	α-helix	trans	-63.4	-46.6	177.4	175.8	-94.5	0	0	0	112.6	K653 Y654 I655 A660 E661 I668 L671	K653-Y657 WeakPolarHBondContact O-CB 3.43Å; K653-Y657 PolarHBondContact O-N 3.22Å; Y654-Y657 PolarHBondContact O-N 2.78Å; I655-Y657 VanDerWaalsContact C-N 3.34Å; I655-Y657 PolarHBondContact O-N 2.99Å; Y657-A660 PolarHBondContact O-N 2.89Å; Y657-E661 WeakPolarHBondContact O-CB 3.4Å; Y657-E661 PolarHBondContact O-N 3.3Å; Y657-I668 HydrophobicContact CE2-CG1 3.93Å; Y657-L671 HydrophobicContact CD2-CD1 4.33Å
658	R	90.4	Very high	90.2	Very high	81 Å²	81	67.1 Å²	67.1	31%	0.306	34%	0.339	S	S	.	.	H	α-helix	trans	-68.6	-35.5	178.2	-74.4	-58.9	-148.3	177.1	7.7	112.4	Y654 I655 E661 K662	Y654-R658 HydrophobicContact CD1-CG 4.31Å; Y654-R658 HydrophobicContact CE1-CG 3.81Å; Y654-R658 HydrophobicContact CE2-CG 4.25Å; Y654-R658 WeakPolarHBondContact O-CG 3.4Å; Y654-R658 PolarHBondContact O-N 2.94Å; Y654-R658 PolarHBondContact OH-NE 3.3Å; I655-R658 PolarHBondContact O-N 3.08Å; R658-E661 WeakPolarHBondContact CD-OE2 3.33Å; R658-E661 IonicContact CZ-OE2 3.48Å; R658-E661 IonicContact NE-OE2 2.78Å; R658-E661 IonicContact NH1-OE1 3.61Å; R658-E661 PolarHBondContact NH1-OE1 3.08Å; R658-E661 IonicContact NH1-OE2 3.71Å; R658-E661 PolarHBondContact NH1-OE2 3.44Å; R658-E661 PolarHBondContact O-N 2.65Å; R658-K662 WeakPolarHBondContact O-CB 3.43Å; R658-K662 PolarHBondContact O-N 3.21Å
659	G	88	Confident	90.3	Very high	33 Å²	33	73.5 Å²	73.5	34%	0.34	36%	0.363	S	S	.	.	H	α-helix	trans	-59.9	-47.9	172.2	0	0	0	0	0	111.1	I655 E656 E661 K662 E663	I655-G659 PolarHBondContact O-N 3.18Å; E656-G659 PolarHBondContact O-N 3.26Å; G659-E661 PolarHBondContact O-N 3.48Å; G659-K662 PolarHBondContact O-N 2.76Å; G659-E663 WeakPolarHBondContact O-CB 3.3Å; G659-E663 PolarHBondContact O-N 3.28Å
660	A	89.1	Confident	90.2	Very high	4 Å²	4	71.9 Å²	71.9	3%	0.033	35%	0.346	C	S	.	.	H	α-helix	trans	-62.8	-40.1	175.3	0	0	0	0	0	113.3	E656 Y657 E663 W664 L671	E656-A660 WeakPolarHBondContact O-CB 3.25Å; E656-A660 PolarHBondContact O-N 3.23Å; Y657-A660 PolarHBondContact O-N 2.89Å; A660-E663 PolarHBondContact O-N 3.02Å; A660-W664 WeakPolarHBondContact O-CB 3.48Å; A660-W664 PolarHBondContact O-N 3.3Å; A660-L671 HydrophobicContact CB-CD2 3.93Å; A660-L671 HydrophobicContact CB-CG 3.89Å
661	E	90.6	Very high	90	Very high	62 Å²	62	69 Å²	69	29%	0.29	33%	0.331	S	S	.	.	H	α-helix	trans	-64.1	-41	175.6	-172.3	-175.1	177.8	0	0	111.7	Y657 R658 G659 G665	Y657-E661 WeakPolarHBondContact O-CB 3.4Å; Y657-E661 PolarHBondContact O-N 3.3Å; R658-E661 WeakPolarHBondContact CD-OE2 3.33Å; R658-E661 IonicContact CZ-OE2 3.48Å; R658-E661 IonicContact NE-OE2 2.78Å; R658-E661 IonicContact NH1-OE1 3.61Å; R658-E661 PolarHBondContact NH1-OE1 3.08Å; R658-E661 IonicContact NH1-OE2 3.71Å; R658-E661 PolarHBondContact NH1-OE2 3.44Å; R658-E661 PolarHBondContact O-N 2.65Å; G659-E661 PolarHBondContact O-N 3.48Å; E661-G665 CarbonylContact O-C 3.51Å; E661-G665 WeakPolarHBondContact O-CA 3.25Å; E661-G665 PolarHBondContact O-N 3.48Å
662	K	87.3	Confident	90	Very high	169 Å²	169	70.4 Å²	70.4	74%	0.735	35%	0.345	S	S	*	.	H	α-helix	trans	-69.6	-39.7	177.7	-173.3	-179.4	178.3	-176.1	0	112.4	R658 G659	R658-K662 WeakPolarHBondContact O-CB 3.43Å; R658-K662 PolarHBondContact O-N 3.21Å; G659-K662 PolarHBondContact O-N 2.76Å
663	E	88	Confident	90	Very high	98 Å²	98	70.3 Å²	70.3	46%	0.458	35%	0.348	S	S	.	.	H	α-helix	trans	-75.4	-40.6	-178.5	-171.4	178.9	-177.9	0	0	112.4	G659 A660 R677	G659-E663 WeakPolarHBondContact O-CB 3.3Å; G659-E663 PolarHBondContact O-N 3.28Å; A660-E663 PolarHBondContact O-N 3.02Å; E663-R677 IonicContact OE1-CZ 2.62Å; E663-R677 IonicContact OE1-NH1 3.3Å; E663-R677 PolarHBondContact OE1-NH1 2.9Å
664	W	90.3	Very high	89.9	Confident	100 Å²	100	66.1 Å²	66.1	38%	0.379	33%	0.334	S	S	.	.	H	α-helix	trans	-115.3	-1.5	-170.3	-58.1	100	0	0	0	114.9	A660 D666 G670 L673 S674	A660-W664 WeakPolarHBondContact O-CB 3.48Å; A660-W664 PolarHBondContact O-N 3.3Å; W664-D666 PolarHBondContact O-N 3.15Å; W664-G670 VanDerWaalsContact CD1-CA 3.42Å; W664-L673 HydrophobicContact CB-CD1 4.28Å; W664-L673 HydrophobicContact CD2-CB 3.75Å; W664-L673 HydrophobicContact CD2-CD1 3.85Å; W664-L673 HydrophobicContact CD2-CG 4.45Å; W664-L673 HydrophobicContact CE3-CB 4.04Å; W664-L673 HydrophobicContact CE3-CD1 3.59Å; W664-L673 HydrophobicContact CE3-CG 4.39Å; W664-L673 HydrophobicContact CG-CB 4.22Å; W664-L673 HydrophobicContact CG-CD1 4.16Å; W664-L673 HydrophobicContact CH2-CB 4.24Å; W664-L673 HydrophobicContact CZ2-CB 3.98Å; W664-L673 HydrophobicContact CZ3-CB 4.27Å; W664-L673 HydrophobicContact CZ3-CD1 4.2Å; W664-S674 PolarHBondContact NE1-OG 2.89Å
665	G	88	Confident	89.7	Confident	66 Å²	66	65.1 Å²	65.1	68%	0.68	34%	0.343	S	S	*	.	S	Bend	trans	80.5	-18.8	-178.7	0	0	0	0	0	115.3	E661	E661-G665 CarbonylContact O-C 3.51Å; E661-G665 WeakPolarHBondContact O-CA 3.25Å; E661-G665 PolarHBondContact O-N 3.48Å
666	D	89.2	Confident	89.6	Confident	75 Å²	75	67.4 Å²	67.4	40%	0.401	36%	0.363	S	S	.	.	S	Bend	trans	-135.2	129.8	174.6	173.1	16.4	0	0	0	109.4	W664 I668 R669 G670	W664-D666 PolarHBondContact O-N 3.15Å; D666-I668 PolarHBondContact OD1-N 3.5Å; D666-R669 HydrophobicContact CB-CB 4.26Å; D666-R669 VanDerWaalsContact OD2-CB 3.24Å; D666-R669 WeakPolarHBondContact OD2-CB 3.48Å; D666-G670 WeakPolarHBondContact O-CA 3.31Å; D666-G670 PolarHBondContact O-N 2.85Å
667	G	87.1	Confident	89.6	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-65.1	-47.4	-176	0	0	0	0	0	113.9	G670 L671	G667-G670 PolarHBondContact O-N 3.31Å; G667-L671 VanDerWaalsContact O-CG 3.29Å; G667-L671 WeakPolarHBondContact O-CG 3.46Å; G667-L671 PolarHBondContact O-N 3.4Å
668	I	91.2	Very high	89.2	Confident	118 Å²	118	71.3 Å²	71.3	61%	0.605	38%	0.375	S	S	*	.	H	α-helix	trans	-73.6	-46.2	-173.6	-58.1	-178.8	0	0	0	110.9	Y657 D666 G670 L671 S672	Y657-I668 HydrophobicContact CE2-CG1 3.93Å; D666-I668 PolarHBondContact OD1-N 3.5Å; I668-G670 VanDerWaalsContact C-N 3.3Å; I668-L671 PolarHBondContact O-N 3.11Å; I668-S672 PolarHBondContact O-N 3.33Å; I668-S672 PolarHBondContact O-OG 3.34Å
669	R	90.3	Very high	89	Confident	135 Å²	135	69.8 Å²	69.8	51%	0.509	38%	0.38	S	S	.	.	H	α-helix	trans	-65.7	-38.1	174.6	-173.1	176.9	177.6	177.3	-1.9	110.9	D666 L671 S672 L673	D666-R669 HydrophobicContact CB-CB 4.26Å; D666-R669 VanDerWaalsContact OD2-CB 3.24Å; D666-R669 WeakPolarHBondContact OD2-CB 3.48Å; R669-L671 PolarHBondContact O-N 3.13Å; R669-S672 WeakPolarHBondContact O-CB 3.39Å; R669-S672 PolarHBondContact O-N 3.41Å; R669-S672 VanDerWaalsContact O-N 3.15Å; R669-L673 HydrophobicContact CG-CD1 4.11Å; R669-L673 HydrophobicContact CG-CG 4.46Å; R669-L673 WeakPolarHBondContact O-CG 3.37Å; R669-L673 PolarHBondContact O-N 2.92Å
670	G	89.2	Confident	89	Confident	0 Å²	0	70 Å²	70	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-59.1	-44	176.4	0	0	0	0	0	112.7	W664 D666 G667 I668 S672 L673 S674	W664-G670 VanDerWaalsContact CD1-CA 3.42Å; D666-G670 WeakPolarHBondContact O-CA 3.31Å; D666-G670 PolarHBondContact O-N 2.85Å; G667-G670 PolarHBondContact O-N 3.31Å; I668-G670 VanDerWaalsContact C-N 3.3Å; G670-S672 PolarHBondContact O-N 2.68Å; G670-L673 PolarHBondContact O-N 3.36Å; G670-L673 VanDerWaalsContact O-N 3.11Å; G670-S674 PolarHBondContact O-N 3Å; G670-S674 PolarHBondContact O-OG 3.38Å
671	L	89.4	Confident	88.8	Confident	54 Å²	54	74 Å²	74	28%	0.283	39%	0.394	S	S	.	.	H	α-helix	trans	-57.4	-40.8	175.2	-73.1	170.5	0	0	0	111.9	E656 Y657 A660 G667 I668 R669 A675	E656-L671 HydrophobicContact CB-CD2 4.4Å; E656-L671 HydrophobicContact CG-CD2 3.6Å; Y657-L671 HydrophobicContact CD2-CD1 4.33Å; A660-L671 HydrophobicContact CB-CD2 3.93Å; A660-L671 HydrophobicContact CB-CG 3.89Å; G667-L671 VanDerWaalsContact O-CG 3.29Å; G667-L671 WeakPolarHBondContact O-CG 3.46Å; G667-L671 PolarHBondContact O-N 3.4Å; I668-L671 PolarHBondContact O-N 3.11Å; R669-L671 PolarHBondContact O-N 3.13Å; L671-A675 WeakPolarHBondContact O-CB 3.5Å; L671-A675 PolarHBondContact O-N 2.97Å
672	S	92	Very high	88.3	Confident	77 Å²	77	76.7 Å²	76.7	54%	0.538	40%	0.401	S	S	.	.	H	α-helix	trans	-67.2	-40.2	178.1	-49.6	0	0	0	0	111.8	I668 R669 G670 A676	I668-S672 PolarHBondContact O-N 3.33Å; I668-S672 PolarHBondContact O-OG 3.34Å; R669-S672 WeakPolarHBondContact O-CB 3.39Å; R669-S672 PolarHBondContact O-N 3.41Å; R669-S672 VanDerWaalsContact O-N 3.15Å; G670-S672 PolarHBondContact O-N 2.68Å; S672-A676 WeakPolarHBondContact O-CB 3.25Å; S672-A676 PolarHBondContact O-N 3Å
673	L	91.8	Very high	88	Confident	62 Å²	62	73.3 Å²	73.3	33%	0.325	39%	0.391	S	S	.	.	H	α-helix	trans	-69.6	-44.1	177.9	-71.4	170.1	0	0	0	112	W664 R669 G670 A675 A676 R677	W664-L673 HydrophobicContact CB-CD1 4.28Å; W664-L673 HydrophobicContact CD2-CB 3.75Å; W664-L673 HydrophobicContact CD2-CD1 3.85Å; W664-L673 HydrophobicContact CD2-CG 4.45Å; W664-L673 HydrophobicContact CE3-CB 4.04Å; W664-L673 HydrophobicContact CE3-CD1 3.59Å; W664-L673 HydrophobicContact CE3-CG 4.39Å; W664-L673 HydrophobicContact CG-CB 4.22Å; W664-L673 HydrophobicContact CG-CD1 4.16Å; W664-L673 HydrophobicContact CH2-CB 4.24Å; W664-L673 HydrophobicContact CZ2-CB 3.98Å; W664-L673 HydrophobicContact CZ3-CB 4.27Å; W664-L673 HydrophobicContact CZ3-CD1 4.2Å; R669-L673 HydrophobicContact CG-CD1 4.11Å; R669-L673 HydrophobicContact CG-CG 4.46Å; R669-L673 WeakPolarHBondContact O-CG 3.37Å; R669-L673 PolarHBondContact O-N 2.92Å; G670-L673 PolarHBondContact O-N 3.36Å; G670-L673 VanDerWaalsContact O-N 3.11Å; L673-A675 VanDerWaalsContact C-N 3.33Å; L673-A675 PolarHBondContact O-N 2.77Å; L673-A676 PolarHBondContact O-N 3.43Å; L673-R677 WeakPolarHBondContact O-CB 3.32Å; L673-R677 PolarHBondContact O-N 2.94Å
674	S	87.5	Confident	87.7	Confident	34 Å²	34	74.1 Å²	74.1	24%	0.238	39%	0.394	C	S	.	.	H	α-helix	trans	-60.1	-43.4	174.1	-66.1	0	0	0	0	111.4	W664 G670 A676 R677 Y678	W664-S674 PolarHBondContact NE1-OG 2.89Å; G670-S674 PolarHBondContact O-N 3Å; G670-S674 PolarHBondContact O-OG 3.38Å; S674-A676 PolarHBondContact O-N 3.49Å; S674-R677 PolarHBondContact O-N 3.14Å; S674-Y678 WeakPolarHBondContact O-CB 3.36Å; S674-Y678 PolarHBondContact O-N 3.5Å
675	A	89.5	Confident	86.7	Confident	61 Å²	61	73.9 Å²	73.9	50%	0.504	40%	0.397	S	S	.	.	H	α-helix	trans	-62.7	-42.2	175.5	0	0	0	0	0	112.3	L671 L673 Y678 A679	L671-A675 WeakPolarHBondContact O-CB 3.5Å; L671-A675 PolarHBondContact O-N 2.97Å; L673-A675 VanDerWaalsContact C-N 3.33Å; L673-A675 PolarHBondContact O-N 2.77Å; A675-Y678 PolarHBondContact O-N 3.49Å; A675-A679 WeakPolarHBondContact O-CB 3.24Å; A675-A679 PolarHBondContact O-N 3.23Å
676	A	90.6	Very high	85.6	Confident	51 Å²	51	72.5 Å²	72.5	42%	0.421	38%	0.383	S	S	.	.	H	α-helix	trans	-64.7	-45.5	176.6	0	0	0	0	0	112	S672 L673 S674 A679 L680	S672-A676 WeakPolarHBondContact O-CB 3.25Å; S672-A676 PolarHBondContact O-N 3Å; L673-A676 PolarHBondContact O-N 3.43Å; S674-A676 PolarHBondContact O-N 3.49Å; A676-A679 PolarHBondContact O-N 3.16Å; A676-L680 WeakPolarHBondContact O-CG 3.45Å; A676-L680 PolarHBondContact O-N 3.47Å
677	R	89.4	Confident	84.2	Confident	132 Å²	132	74.3 Å²	74.3	50%	0.498	40%	0.399	S	S	.	.	H	α-helix	trans	-58.6	-47.9	175.4	177.9	-174.1	165.1	-160.6	-5.3	111.3	E663 L673 S674 A679 L680 L681	E663-R677 IonicContact OE1-CZ 2.62Å; E663-R677 IonicContact OE1-NH1 3.3Å; E663-R677 PolarHBondContact OE1-NH1 2.9Å; L673-R677 WeakPolarHBondContact O-CB 3.32Å; L673-R677 PolarHBondContact O-N 2.94Å; S674-R677 PolarHBondContact O-N 3.14Å; R677-A679 VanDerWaalsContact C-N 3.34Å; R677-A679 PolarHBondContact O-N 3.07Å; R677-L680 PolarHBondContact O-N 2.81Å; R677-L681 HydrophobicContact CG-CD1 4.14Å; R677-L681 WeakPolarHBondContact O-CG 3.35Å; R677-L681 PolarHBondContact O-N 3.37Å
678	Y	84.3	Confident	83	Confident	85 Å²	85	79.7 Å²	79.7	33%	0.333	43%	0.434	S	S	.	.	H	α-helix	trans	-60.7	-43.3	178.8	-174.1	-91.6	0	0	0	111.8	T607 S674 A675 L680 R682	T607-Y678 WeakPolarHBondContact CA-OH 3.23Å; T607-Y678 HydrophobicContact CG2-CE2 4.16Å; T607-Y678 PolarHBondContact OG1-OH 2.98Å; S674-Y678 WeakPolarHBondContact O-CB 3.36Å; S674-Y678 PolarHBondContact O-N 3.5Å; A675-Y678 PolarHBondContact O-N 3.49Å; Y678-L680 PolarHBondContact O-N 2.98Å; Y678-R682 WeakPolarHBondContact O-CB 3.4Å; Y678-R682 PolarHBondContact O-N 3.38Å; Y678-R682 VanDerWaalsContact O-N 3.13Å
679	A	86.2	Confident	81.5	Confident	50 Å²	50	82.1 Å²	82.1	41%	0.413	44%	0.443	S	S	.	.	H	α-helix	trans	-63.5	-40	176.5	0	0	0	0	0	112.5	A675 A676 R677 R682 L683	A675-A679 WeakPolarHBondContact O-CB 3.24Å; A675-A679 PolarHBondContact O-N 3.23Å; A676-A679 PolarHBondContact O-N 3.16Å; R677-A679 VanDerWaalsContact C-N 3.34Å; R677-A679 PolarHBondContact O-N 3.07Å; A679-R682 PolarHBondContact O-N 3.32Å; A679-L683 WeakPolarHBondContact O-CG 3.46Å; A679-L683 PolarHBondContact O-N 2.97Å
680	L	87.7	Confident	80	Confident	37 Å²	37	78.2 Å²	78.2	19%	0.194	43%	0.434	C	S	.	.	H	α-helix	trans	-67	-46.6	177.8	-73.3	171.8	0	0	0	112.5	A676 R677 Y678 R682 L683 E684 L786 L789	A676-L680 WeakPolarHBondContact O-CG 3.45Å; A676-L680 PolarHBondContact O-N 3.47Å; R677-L680 PolarHBondContact O-N 2.81Å; Y678-L680 PolarHBondContact O-N 2.98Å; L680-R682 PolarHBondContact O-N 3.34Å; L680-L683 HydrophobicContact CD2-CD1 4.49Å; L680-L683 WeakPolarHBondContact O-CB 3.44Å; L680-L683 PolarHBondContact O-N 3.5Å; L680-E684 PolarHBondContact O-N 2.89Å; L680-L786 HydrophobicContact CD1-CD2 3.7Å; L680-L786 HydrophobicContact CD1-CG 4.24Å; L680-L789 HydrophobicContact CD2-CB 3.62Å; L680-L789 HydrophobicContact CD2-CD2 4.37Å
681	L	85	Confident	78.6	Confident	88 Å²	88	81.1 Å²	81.1	46%	0.461	45%	0.446	S	S	.	.	H	α-helix	trans	-60.5	-36	177.3	-71.3	173.3	0	0	0	112	R677 L683 E684	R677-L681 HydrophobicContact CG-CD1 4.14Å; R677-L681 WeakPolarHBondContact O-CG 3.35Å; R677-L681 PolarHBondContact O-N 3.37Å; L681-L683 VanDerWaalsContact C-N 3.31Å; L681-L683 PolarHBondContact O-N 3.33Å; L681-E684 PolarHBondContact O-N 3.37Å
682	R	80.2	Confident	77.7	Confident	118 Å²	118	81.9 Å²	81.9	45%	0.445	45%	0.451	S	S	.	.	H	α-helix	trans	-68.3	-29.8	175.7	-174.6	178	173	-169.6	0.6	113	Y678 A679 L680 E684	Y678-R682 WeakPolarHBondContact O-CB 3.4Å; Y678-R682 PolarHBondContact O-N 3.38Å; Y678-R682 VanDerWaalsContact O-N 3.13Å; A679-R682 PolarHBondContact O-N 3.32Å; L680-R682 PolarHBondContact O-N 3.34Å; R682-E684 VanDerWaalsContact C-N 3.27Å; R682-E684 PolarHBondContact O-N 2.96Å
683	L	81.4	Confident	77.1	Confident	99 Å²	99	79.5 Å²	79.5	52%	0.518	43%	0.43	S	S	.	.	H	α-helix	trans	-71.3	-22.3	177.3	-73.3	166.6	0	0	0	112.6	A679 L680 L681	A679-L683 WeakPolarHBondContact O-CG 3.46Å; A679-L683 PolarHBondContact O-N 2.97Å; L680-L683 HydrophobicContact CD2-CD1 4.49Å; L680-L683 WeakPolarHBondContact O-CB 3.44Å; L680-L683 PolarHBondContact O-N 3.5Å; L681-L683 VanDerWaalsContact C-N 3.31Å; L681-L683 PolarHBondContact O-N 3.33Å
684	E	80.9	Confident	76.9	Confident	115 Å²	115	79.6 Å²	79.6	54%	0.537	43%	0.426	S	S	.	.	H	α-helix	trans	-76.2	-29.1	178.4	-69.9	-68.2	147.5	0	0	113.7	L680 L681 R682 G686 G787 G788	L680-E684 PolarHBondContact O-N 2.89Å; L681-E684 PolarHBondContact O-N 3.37Å; R682-E684 VanDerWaalsContact C-N 3.27Å; R682-E684 PolarHBondContact O-N 2.96Å; E684-G686 PolarHBondContact O-N 3.24Å; E684-G686 VanDerWaalsContact O-N 3.16Å; E684-G787 WeakPolarHBondContact OE1-CA 3.4Å; E684-G788 PolarHBondContact OE1-N 2.92Å
685	E	70.4	Confident	77	Confident	94 Å²	94	78 Å²	78	44%	0.439	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-8.9	-172.9	-72.4	-166.6	138.3	0	0	114.4	P608 R611	P608-E685 WeakPolarHBondContact CA-OE1 3.41Å; P608-E685 WeakPolarHBondContact CB-OE1 3.39Å; R611-E685 IonicContact NH2-OE1 3.72Å; R611-E685 PolarHBondContact NH2-OE1 3.4Å; R611-E685 VanDerWaalsContact NH2-OE1 3.15Å
686	G	64.9	Low	77.1	Confident	37 Å²	37	77.5 Å²	77.5	38%	0.381	40%	0.402	S	S	.	.	S	Bend	trans	-133	146.6	-179.3	0	0	0	0	0	112.7	E684	E684-G686 PolarHBondContact O-N 3.24Å; E684-G686 VanDerWaalsContact O-N 3.16Å
687	P	59.5	Low	77.4	Confident	113 Å²	113	75 Å²	75	73%	0.734	38%	0.382	S	S	*	.			trans	-58.4	138.7	173.1	26	-33.3	0	0	0	109.1	H689	P687-H689 PolarHBondContact O-N 3.48Å
688	P	60.6	Low	77.7	Confident	113 Å²	113	68.8 Å²	68.8	73%	0.734	36%	0.358	S	S	*	.			trans	-54.2	123.4	177.4	22.3	-32.2	0	0	0	107.9	T690	P688-T690 VanDerWaalsContact C-N 3.34Å; P688-T690 PolarHBondContact O-N 3.28Å
689	H	60.1	Low	78.3	Confident	170 Å²	170	64.7 Å²	64.7	79%	0.787	34%	0.342	S	S	*	.			trans	-58.4	96.6	-176.2	-81.7	-55.8	0	0	0	110.3	P687 K691	P687-H689 PolarHBondContact O-N 3.48Å; H689-K691 PolarHBondContact O-N 3.41Å
690	T	58.8	Low	78.7	Confident	53 Å²	53	63.2 Å²	63.2	33%	0.325	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-20.6	-179.2	48.7	0	0	0	0	112.5	P688 N692 M942	P688-T690 VanDerWaalsContact C-N 3.34Å; P688-T690 PolarHBondContact O-N 3.28Å; T690-N692 PolarHBondContact O-N 2.84Å; T690-N692 VanDerWaalsContact O-N 3.1Å; T690-M942 WeakPolarHBondContact CB-SD 3.43Å; T690-M942 HydrophobicContact CG2-SD 4.02Å; T690-M942 PolarHBondContact OG1-SD 3.08Å
691	K	61.4	Low	79	Confident	60 Å²	60	61.8 Å²	61.8	26%	0.261	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-21.4	-177.8	-60.5	-162.7	173.7	-163.8	0	113.9	H689 L944 E948 T1135	H689-K691 PolarHBondContact O-N 3.41Å; K691-L944 HydrophobicContact CD-CD2 3.9Å; K691-L944 HydrophobicContact CG-CD2 3.93Å; K691-E948 IonicContact NZ-OE1 2.71Å; K691-E948 IonicContact NZ-OE2 3.66Å; K691-E948 PolarHBondContact NZ-OE2 3.35Å; K691-T1135 PolarHBondContact O-OG1 2.84Å
692	N	68.8	Low	79.2	Confident	71 Å²	71	65.7 Å²	65.7	38%	0.38	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-137.4	69	179.9	-79.4	-31.9	0	0	0	111.7	T690 R694 T1135 I1136	T690-N692 PolarHBondContact O-N 2.84Å; T690-N692 VanDerWaalsContact O-N 3.1Å; N692-R694 PolarHBondContact O-N 3.34Å; N692-T1135 PolarHBondContact OD1-OG1 3.11Å; N692-I1136 WeakPolarHBondContact OD1-CB 3.49Å; N692-I1136 WeakPolarHBondContact OD1-CG1 3.28Å
693	W	80.7	Confident	79.6	Confident	26 Å²	26	61.3 Å²	61.3	10%	0.098	32%	0.315	C	S	.	.			trans	-58.8	137	173.4	-169.6	94.9	0	0	0	111.5	P695 N792 T793 A827 M860 L863 E1132 V1133 I1134	W693-P695 HydrophobicContact CH2-CB 3.75Å; W693-P695 HydrophobicContact CZ3-CB 3.99Å; W693-P695 HydrophobicContact CZ3-CG 4.32Å; W693-N792 PolarHBondContact NE1-ND2 3.26Å; W693-T793 WeakPolarHBondContact CH2-OG1 3.29Å; W693-T793 WeakPolarHBondContact CZ2-OG1 3.48Å; W693-A827 HydrophobicContact CH2-CB 4.2Å; W693-A827 HydrophobicContact CZ2-CB 3.91Å; W693-M860 HydrophobicContact CH2-CG 4.44Å; W693-M860 HydrophobicContact CH2-SD 3.82Å; W693-M860 HydrophobicContact CZ3-CG 4.29Å; W693-M860 HydrophobicContact CZ3-SD 4.24Å; W693-L863 HydrophobicContact CE3-CD2 4Å; W693-L863 HydrophobicContact CZ3-CD2 4.1Å; W693-E1132 HydrophobicContact CD2-CB 4.19Å; W693-E1132 HydrophobicContact CD2-CG 3.74Å; W693-E1132 VanDerWaalsContact CE2-CG 3.49Å; W693-E1132 HydrophobicContact CE3-CG 4.37Å; W693-E1132 HydrophobicContact CG-CB 4.12Å; W693-E1132 HydrophobicContact CG-CG 3.95Å; W693-E1132 HydrophobicContact CZ2-CG 3.92Å; W693-V1133 WeakPolarHBondContact CB-O 3.37Å; W693-V1133 PolarHBondContact N-O 2.62Å; W693-I1134 HydrophobicContact CB-CG1 4.11Å; W693-I1134 HydrophobicContact CE3-CD1 4.25Å
694	R	86.3	Confident	79.8	Confident	64 Å²	64	59.5 Å²	59.5	24%	0.242	31%	0.306	C	S	.	.			trans	-139.4	140.8	174.1	-73.7	-68	-172.5	-81.6	5.3	108.5	N692 Q696 N792 I1136 S1138	N692-R694 PolarHBondContact O-N 3.34Å; R694-Q696 PolarHBondContact O-N 3.02Å; R694-N792 PolarHBondContact O-ND2 3.04Å; R694-I1136 PolarHBondContact NH1-O 3.11Å; R694-I1136 PolarHBondContact NH2-O 3.14Å; R694-I1136 VanDerWaalsContact NH2-O 3.09Å; R694-S1138 PolarHBondContact NE-O 3.37Å; R694-S1138 VanDerWaalsContact NH2-N 3.16Å; R694-S1138 PolarHBondContact NH2-O 2.59Å
695	P	90.3	Very high	79.8	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.013	32%	0.324	C	S	.	.			trans	-70.6	119.6	-177.4	27	-33.2	0	0	0	110.8	W693 L697 K722 L867	W693-P695 HydrophobicContact CH2-CB 3.75Å; W693-P695 HydrophobicContact CZ3-CB 3.99Å; W693-P695 HydrophobicContact CZ3-CG 4.32Å; P695-L697 HydrophobicContact CB-CD2 4.06Å; P695-K722 WeakPolarHBondContact O-CE 3.45Å; P695-K722 PolarHBondContact O-NZ 3.43Å; P695-L867 HydrophobicContact CG-CD1 3.91Å
696	Q	92.6	Very high	80.3	Confident	49 Å²	49	64.9 Å²	64.9	23%	0.229	34%	0.335	C	S	.	.			trans	-105.5	113.2	168.1	-51.2	-55.4	-8.5	0	0	107.5	R694 K722 L727 N792 T793	R694-Q696 PolarHBondContact O-N 3.02Å; Q696-K722 VanDerWaalsContact OE1-NZ 3.09Å; Q696-L727 HydrophobicContact CB-CB 4.22Å; Q696-L727 HydrophobicContact CG-CB 4.46Å; Q696-L727 PolarHBondContact OE1-O 3.19Å; Q696-N792 PolarHBondContact N-OD1 3.49Å; Q696-N792 PolarHBondContact O-N 3.28Å; Q696-N792 PolarHBondContact O-OD1 3.29Å; Q696-T793 PolarHBondContact O-N 3.05Å
697	L	95.4	Very high	81.1	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	130.5	-161.1	-57.6	176.6	0	0	0	111.6	P695 V699 T718 L721 K722 L727 T728 I729 T793 L829	P695-L697 HydrophobicContact CB-CD2 4.06Å; L697-V699 HydrophobicContact CB-CG2 4.13Å; L697-T718 HydrophobicContact CD1-CG2 3.9Å; L697-L721 HydrophobicContact CD1-CD2 4.02Å; L697-L721 HydrophobicContact CD2-CD2 4.31Å; L697-K722 HydrophobicContact CD1-CD 3.87Å; L697-K722 HydrophobicContact CD1-CG 3.47Å; L697-K722 VanDerWaalsContact CD1-CG 3.47Å; L697-K722 HydrophobicContact CG-CD 4.09Å; L697-K722 HydrophobicContact CG-CG 4.21Å; L697-L727 PolarHBondContact N-O 3.05Å; L697-T728 HydrophobicContact CB-CG2 4.46Å; L697-T728 CarbonylContact O-C 3.55Å; L697-T728 WeakPolarHBondContact O-CA 3.48Å; L697-I729 PolarHBondContact O-N 2.76Å; L697-T793 CarbonylContact C-O 3.58Å; L697-T793 WeakPolarHBondContact CA-O 3.5Å; L697-T793 HydrophobicContact CD2-CG2 3.75Å; L697-L829 HydrophobicContact CD2-CD1 4.23Å
698	L	96.7	Very high	82.3	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	109.2	155.4	173.6	64	0	0	0	108	L700 I729 I781 H791 T793 V794 L795	L698-L700 HydrophobicContact CD2-CD2 4.31Å; L698-L700 HydrophobicContact CG-CD2 4.26Å; L698-I729 CarbonylContact C-O 3.54Å; L698-I729 WeakPolarHBondContact CA-O 3.41Å; L698-I729 HydrophobicContact CD1-CB 4.05Å; L698-I729 HydrophobicContact CD1-CG2 3.8Å; L698-I781 HydrophobicContact CD2-CG1 4.34Å; L698-H791 HydrophobicContact CB-CB 3.82Å; L698-H791 WeakPolarHBondContact CB-CD2 3.34Å; L698-H791 WeakPolarHBondContact CD2-NE2 3.34Å; L698-T793 PolarHBondContact N-O 3.48Å; L698-V794 HydrophobicContact CD2-CG2 4.44Å; L698-V794 CarbonylContact O-C 3.55Å; L698-V794 WeakPolarHBondContact O-CA 3.47Å; L698-L795 PolarHBondContact O-N 3.27Å
699	V	96.2	Very high	83.6	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	111.6	-177.9	-170.8	0	0	0	0	108.8	L697 V701 L714 L715 T718 T728 I729 V730 G731 L795	L697-V699 HydrophobicContact CB-CG2 4.13Å; V699-V701 HydrophobicContact CG1-CG2 3.99Å; V699-L714 HydrophobicContact CG1-CD2 3.68Å; V699-L714 HydrophobicContact CG1-CG 3.78Å; V699-L715 HydrophobicContact CG1-CD2 4.38Å; V699-T718 HydrophobicContact CG2-CG2 3.73Å; V699-T718 WeakPolarHBondContact CG2-OG1 3.48Å; V699-T728 HydrophobicContact CG2-CG2 4.16Å; V699-I729 PolarHBondContact N-O 2.94Å; V699-V730 HydrophobicContact CB-CG2 4.45Å; V699-V730 CarbonylContact O-C 3.28Å; V699-V730 WeakPolarHBondContact O-CA 3.45Å; V699-G731 PolarHBondContact O-N 3.21Å; V699-L795 WeakPolarHBondContact CA-O 3.42Å; V699-L795 HydrophobicContact CG1-CD2 4.16Å; V699-L795 HydrophobicContact CG1-CG 4.4Å; V699-L795 HydrophobicContact CG2-CB 4.36Å; V699-L795 HydrophobicContact CG2-CD2 4.13Å
700	L	95.3	Very high	84.9	Confident	18 Å²	18	53.8 Å²	53.8	9%	0.094	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	112.8	179.1	-66	174.8	0	0	0	110	L698 L714 G731 V777 L780 V794 L795 V796 L817	L698-L700 HydrophobicContact CD2-CD2 4.31Å; L698-L700 HydrophobicContact CG-CD2 4.26Å; L700-L714 WeakPolarHBondContact O-CD2 3.38Å; L700-G731 WeakPolarHBondContact CA-O 3.5Å; L700-V777 HydrophobicContact CD1-CG1 4.05Å; L700-L780 HydrophobicContact CD2-CD1 4.09Å; L700-V794 HydrophobicContact CD1-CG1 3.73Å; L700-V794 HydrophobicContact CG-CG1 4.22Å; L700-L795 PolarHBondContact N-O 3.34Å; L700-V796 HydrophobicContact CB-CG2 4.32Å; L700-L817 HydrophobicContact CD1-CD1 3.62Å; L700-L817 HydrophobicContact CD1-CG 4.42Å
701	V	93.5	Very high	86.1	Confident	8 Å²	8	53.3 Å²	53.3	5%	0.048	26%	0.257	C	S	.	.			trans	-112.6	131.1	-176	-179.6	0	0	0	0	110	V699 V709 L714 L715 V730 G731 S732	V699-V701 HydrophobicContact CG1-CG2 3.99Å; V701-V709 HydrophobicContact CG1-CB 4.07Å; V701-V709 HydrophobicContact CG1-CG1 3.28Å; V701-V709 HydrophobicContact CG1-CG2 3.8Å; V701-L714 HydrophobicContact CG2-CD2 4.41Å; V701-L715 HydrophobicContact CG2-CD2 4.25Å; V701-V730 HydrophobicContact CB-CG1 4.34Å; V701-V730 HydrophobicContact CG2-CG1 3.67Å; V701-G731 PolarHBondContact N-O 3.14Å; V701-S732 WeakPolarHBondContact O-CB 3.46Å; V701-S732 PolarHBondContact O-OG 3.4Å
702	R	89.9	Confident	87.5	Confident	169 Å²	169	52.4 Å²	52.4	64%	0.638	26%	0.257	S	S	*	.			trans	-86.9	137.5	171.8	-64.7	-174.4	70.9	-175.2	1.4	110.4	V710	R702-V710 HydrophobicContact CB-CG2 4.31Å; R702-V710 PolarHBondContact O-N 3.44Å; R702-V710 VanDerWaalsContact O-N 3.09Å
703	V	88.9	Confident	88.6	Confident	26 Å²	26	51.4 Å²	51.4	16%	0.158	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-113	136.8	177.4	176.1	0	0	0	0	108	Q707 N708 V709 S732 L734 A748 I752	V703-Q707 HydrophobicContact CG1-CB 4.24Å; V703-N708 CarbonylContact C-O 3.56Å; V703-N708 WeakPolarHBondContact CA-O 3.49Å; V703-V709 HydrophobicContact CG2-CG2 4.48Å; V703-S732 WeakPolarHBondContact CG2-OG 3.46Å; V703-L734 HydrophobicContact CB-CD2 4.25Å; V703-L734 HydrophobicContact CG1-CD2 4.39Å; V703-A748 HydrophobicContact CG1-CB 4.37Å; V703-I752 HydrophobicContact CG2-CD1 4.04Å; V703-I752 HydrophobicContact CG2-CG1 4.38Å
704	D	85.1	Confident	89.1	Confident	61 Å²	61	50.4 Å²	50.4	33%	0.326	25%	0.247	S	C	.	.			trans	-80.7	179.9	177.5	65.2	19.6	0	0	0	112.5	D706 Q707 N708 V710	D704-D706 PolarHBondContact O-N 2.99Å; D704-D706 VanDerWaalsContact OD1-C 3.23Å; D704-D706 WeakPolarHBondContact OD1-CA 3.47Å; D704-D706 PolarHBondContact OD1-N 3.02Å; D704-Q707 PolarHBondContact O-N 3.06Å; D704-Q707 PolarHBondContact OD1-N 2.9Å; D704-N708 PolarHBondContact N-O 3.5Å; D704-N708 WeakPolarHBondContact OD1-CA 3.33Å; D704-N708 PolarHBondContact OD1-N 3.42Å; D704-N708 WeakPolarHBondContact OD2-CB 3.39Å; D704-V710 HydrophobicContact CB-CG2 4.09Å
705	Q	80.6	Confident	89.5	Confident	195 Å²	195	47.4 Å²	47.4	91%	0.911	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-27.7	178.4	-65.5	-179.6	0.2	0	0	112.6	Q707	Q705-Q707 PolarHBondContact O-N 3.48Å
706	D	81.5	Confident	89.7	Confident	128 Å²	128	47.5 Å²	47.5	68%	0.684	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	7.2	176.9	-65.3	-37.9	0	0	0	112.8	D704 N708	D704-D706 PolarHBondContact O-N 2.99Å; D704-D706 VanDerWaalsContact OD1-C 3.23Å; D704-D706 WeakPolarHBondContact OD1-CA 3.47Å; D704-D706 PolarHBondContact OD1-N 3.02Å; D706-N708 WeakPolarHBondContact CB-ND2 3.1Å; D706-N708 PolarHBondContact O-N 3.27Å
707	Q	80.6	Confident	89.7	Confident	32 Å²	32	45.3 Å²	45.3	15%	0.15	23%	0.226	C	C	.	.	S	Bend	trans	64.7	23.6	179.5	-60.3	161.9	-3.2	0	0	114.5	V703 D704 Q705 Q744 S751	V703-Q707 HydrophobicContact CG1-CB 4.24Å; D704-Q707 PolarHBondContact O-N 3.06Å; D704-Q707 PolarHBondContact OD1-N 2.9Å; Q705-Q707 PolarHBondContact O-N 3.48Å; Q707-Q744 VanDerWaalsContact NE2-CB 3.28Å; Q707-S751 VanDerWaalsContact O-CB 3.31Å; Q707-S751 WeakPolarHBondContact O-CB 3.41Å; Q707-S751 PolarHBondContact O-OG 3.1Å
708	N	86.1	Confident	89.7	Confident	82 Å²	82	45.4 Å²	45.4	44%	0.439	23%	0.226	S	C	.	.			trans	-94.6	147.3	171.9	-57.1	-59	0	0	0	110.8	V703 D704 D706 V710	V703-N708 CarbonylContact C-O 3.56Å; V703-N708 WeakPolarHBondContact CA-O 3.49Å; D704-N708 PolarHBondContact N-O 3.5Å; D704-N708 WeakPolarHBondContact OD1-CA 3.33Å; D704-N708 PolarHBondContact OD1-N 3.42Å; D704-N708 WeakPolarHBondContact OD2-CB 3.39Å; D706-N708 WeakPolarHBondContact CB-ND2 3.1Å; D706-N708 PolarHBondContact O-N 3.27Å; N708-V710 PolarHBondContact O-N 2.98Å
709	V	87.3	Confident	89.5	Confident	18 Å²	18	45.9 Å²	45.9	11%	0.109	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-74.5	120.2	176.8	167.3	0	0	0	0	109.4	V701 V703 H711 I752 L755	V701-V709 HydrophobicContact CG1-CB 4.07Å; V701-V709 HydrophobicContact CG1-CG1 3.28Å; V701-V709 HydrophobicContact CG1-CG2 3.8Å; V703-V709 HydrophobicContact CG2-CG2 4.48Å; V709-H711 VanDerWaalsContact C-N 3.29Å; V709-H711 PolarHBondContact O-N 3.45Å; V709-I752 HydrophobicContact CG2-CG1 3.84Å; V709-L755 HydrophobicContact CB-CD2 3.53Å; V709-L755 HydrophobicContact CG1-CD2 3.72Å; V709-L755 HydrophobicContact CG2-CD2 3.77Å
710	V	86.2	Confident	89.4	Confident	68 Å²	68	45.9 Å²	45.9	41%	0.412	23%	0.23	S	C	.	.	S	Bend	trans	-63.2	-35.1	-175.3	-177.6	0	0	0	0	112.2	R702 D704 N708	R702-V710 HydrophobicContact CB-CG2 4.31Å; R702-V710 PolarHBondContact O-N 3.44Å; R702-V710 VanDerWaalsContact O-N 3.09Å; D704-V710 HydrophobicContact CB-CG2 4.09Å; N708-V710 PolarHBondContact O-N 2.98Å
711	H	85.5	Confident	89.3	Confident	43 Å²	43	45.4 Å²	45.4	20%	0.199	23%	0.227	C	C	.	.			trans	-130.7	79.5	-175.1	-65.8	-33.4	0	0	0	111.9	V709 Q713 L714 V834	V709-H711 VanDerWaalsContact C-N 3.29Å; V709-H711 PolarHBondContact O-N 3.45Å; H711-Q713 PolarHBondContact O-N 3.33Å; H711-L714 WeakPolarHBondContact O-CB 3.37Å; H711-L714 PolarHBondContact O-N 2.98Å; H711-V834 HydrophobicContact CB-CG1 4.02Å
712	P	90.2	Very high	89.3	Confident	41 Å²	41	46.2 Å²	46.2	27%	0.266	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-27.5	178.9	25.3	-34.6	0	0	0	112.8	L714 L715 S716 L755	P712-L714 PolarHBondContact O-N 2.83Å; P712-L714 VanDerWaalsContact O-N 3.12Å; P712-L715 WeakPolarHBondContact O-CB 3.24Å; P712-L715 PolarHBondContact O-N 3.3Å; P712-S716 PolarHBondContact O-N 3.31Å; P712-L755 HydrophobicContact CB-CD1 4.13Å; P712-L755 HydrophobicContact CB-CD2 3.94Å
713	Q	91.5	Very high	89.2	Confident	49 Å²	49	41 Å²	41	23%	0.229	22%	0.223	C	C	.	.	H	α-helix	trans	-61.9	-22.1	179.5	-60	84.1	-3.8	0	0	113	H711 L715 S716 L717 V834 F837	H711-Q713 PolarHBondContact O-N 3.33Å; Q713-L715 VanDerWaalsContact C-N 3.31Å; Q713-S716 WeakPolarHBondContact O-CB 3.43Å; Q713-S716 PolarHBondContact O-N 3.02Å; Q713-L717 WeakPolarHBondContact O-CB 3.42Å; Q713-L717 PolarHBondContact O-N 2.79Å; Q713-V834 HydrophobicContact CB-CG1 4.04Å; Q713-V834 VanDerWaalsContact CB-O 3.28Å; Q713-V834 WeakPolarHBondContact CB-O 3.47Å; Q713-F837 HydrophobicContact CB-CB 4.32Å
714	L	92.7	Very high	89	Confident	6 Å²	6	41.2 Å²	41.2	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-65	-38.3	174.1	-165.7	64.6	0	0	0	111.2	V699 L700 V701 H711 P712 T718 L795 T831 V834	V699-L714 HydrophobicContact CG1-CD2 3.68Å; V699-L714 HydrophobicContact CG1-CG 3.78Å; L700-L714 WeakPolarHBondContact O-CD2 3.38Å; V701-L714 HydrophobicContact CG2-CD2 4.41Å; H711-L714 WeakPolarHBondContact O-CB 3.37Å; H711-L714 PolarHBondContact O-N 2.98Å; P712-L714 PolarHBondContact O-N 2.83Å; P712-L714 VanDerWaalsContact O-N 3.12Å; L714-T718 WeakPolarHBondContact O-CB 3.41Å; L714-T718 PolarHBondContact O-N 3.11Å; L714-T718 PolarHBondContact O-OG1 3.37Å; L714-L795 HydrophobicContact CD1-CD1 4.13Å; L714-L795 HydrophobicContact CD1-CD2 4.05Å; L714-L795 HydrophobicContact CD1-CG 3.89Å; L714-L795 HydrophobicContact CG-CD2 4.38Å; L714-L795 HydrophobicContact CG-CG 4.43Å; L714-T831 HydrophobicContact CD1-CG2 4.43Å; L714-T831 WeakPolarHBondContact CD1-OG1 3.34Å; L714-V834 HydrophobicContact CB-CG1 4.11Å; L714-V834 HydrophobicContact CD1-CG1 4.47Å
715	L	93.9	Very high	89.1	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-72.1	-37.3	173.9	-65.9	178.9	0	0	0	111.4	V699 V701 P712 Q713 L717 T718 S719 V730 L755 M756 E759 V761	V699-L715 HydrophobicContact CG1-CD2 4.38Å; V701-L715 HydrophobicContact CG2-CD2 4.25Å; P712-L715 WeakPolarHBondContact O-CB 3.24Å; P712-L715 PolarHBondContact O-N 3.3Å; Q713-L715 VanDerWaalsContact C-N 3.31Å; L715-L717 PolarHBondContact O-N 2.91Å; L715-T718 WeakPolarHBondContact O-CB 3.29Å; L715-T718 PolarHBondContact O-N 3.31Å; L715-S719 WeakPolarHBondContact O-CB 3.42Å; L715-S719 PolarHBondContact O-N 3.32Å; L715-V730 HydrophobicContact CD2-CG1 3.99Å; L715-V730 HydrophobicContact CD2-CG2 3.71Å; L715-L755 HydrophobicContact CD1-CB 4.3Å; L715-L755 HydrophobicContact CD1-CD2 3.66Å; L715-L755 HydrophobicContact CD1-CG 3.77Å; L715-M756 HydrophobicContact CD1-CG 4.3Å; L715-E759 HydrophobicContact CB-CB 4.24Å; L715-E759 HydrophobicContact CB-CG 4.26Å; L715-V761 HydrophobicContact CB-CG2 4.11Å; L715-V761 VanDerWaalsContact O-CG2 3.25Å; L715-V761 WeakPolarHBondContact O-CG2 3.41Å
716	S	93.4	Very high	89.4	Confident	4 Å²	4	39.5 Å²	39.5	3%	0.028	23%	0.233	C	C	.	.	H	α-helix	trans	-58.5	-47.7	171.5	-50.3	0	0	0	0	111.3	P712 Q713 T718 S719 Q720 E759	P712-S716 PolarHBondContact O-N 3.31Å; Q713-S716 WeakPolarHBondContact O-CB 3.43Å; Q713-S716 PolarHBondContact O-N 3.02Å; S716-T718 VanDerWaalsContact C-N 3.33Å; S716-T718 PolarHBondContact O-N 3.16Å; S716-S719 WeakPolarHBondContact O-CB 3.31Å; S716-S719 PolarHBondContact O-N 2.94Å; S716-Q720 WeakPolarHBondContact O-CG 3.4Å; S716-Q720 PolarHBondContact O-N 3.4Å; S716-E759 WeakPolarHBondContact CB-OE2 3.24Å; S716-E759 PolarHBondContact OG-OE2 2.9Å
717	L	93.8	Very high	89.9	Confident	4 Å²	4	34 Å²	34	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-61.7	-41.2	176.7	178.8	64.2	0	0	0	111.9	Q713 L715 S719 Q720 L721 T831 F837 L868	Q713-L717 WeakPolarHBondContact O-CB 3.42Å; Q713-L717 PolarHBondContact O-N 2.79Å; L715-L717 PolarHBondContact O-N 2.91Å; L717-S719 VanDerWaalsContact C-N 3.33Å; L717-S719 PolarHBondContact O-N 3.38Å; L717-Q720 WeakPolarHBondContact O-CB 3.38Å; L717-Q720 PolarHBondContact O-N 2.9Å; L717-L721 WeakPolarHBondContact O-CB 3.39Å; L717-L721 PolarHBondContact O-N 3.46Å; L717-T831 HydrophobicContact CD2-CG2 3.49Å; L717-T831 VanDerWaalsContact CD2-CG2 3.49Å; L717-F837 HydrophobicContact CD1-CD1 3.87Å; L717-F837 HydrophobicContact CD1-CE1 3.87Å; L717-F837 HydrophobicContact CD2-CD1 4.06Å; L717-F837 HydrophobicContact CD2-CE1 3.81Å; L717-F837 HydrophobicContact CD2-CZ 4.44Å; L717-F837 HydrophobicContact CG-CD1 4.37Å; L717-F837 HydrophobicContact CG-CE1 4.42Å; L717-L868 HydrophobicContact CD1-CD2 4.01Å
718	T	94.1	Very high	90.7	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	20%	0.198	C	C	.	.	H	α-helix	trans	-58.4	-46.6	175.4	-59.2	0	0	0	0	111.2	L697 V699 L714 L715 S716 Q720 L721 K722 T728 V761 L795	L697-T718 HydrophobicContact CD1-CG2 3.9Å; V699-T718 HydrophobicContact CG2-CG2 3.73Å; V699-T718 WeakPolarHBondContact CG2-OG1 3.48Å; L714-T718 WeakPolarHBondContact O-CB 3.41Å; L714-T718 PolarHBondContact O-N 3.11Å; L714-T718 PolarHBondContact O-OG1 3.37Å; L715-T718 WeakPolarHBondContact O-CB 3.29Å; L715-T718 PolarHBondContact O-N 3.31Å; S716-T718 VanDerWaalsContact C-N 3.33Å; S716-T718 PolarHBondContact O-N 3.16Å; T718-Q720 VanDerWaalsContact C-N 3.31Å; T718-Q720 PolarHBondContact O-N 3.31Å; T718-L721 PolarHBondContact O-N 3Å; T718-K722 WeakPolarHBondContact O-CB 3.43Å; T718-K722 PolarHBondContact O-N 2.99Å; T718-T728 HydrophobicContact CG2-CG2 3.47Å; T718-T728 VanDerWaalsContact CG2-CG2 3.47Å; T718-V761 HydrophobicContact CG2-CG1 4.26Å; T718-L795 WeakPolarHBondContact OG1-CD2 3.17Å
719	S	94.1	Very high	91.1	Very high	10 Å²	10	29 Å²	29	7%	0.07	18%	0.178	C	C	.	.	H	α-helix	trans	-59.5	-42	175.4	-167.5	0	0	0	0	111.7	L715 S716 L717 A723 E759 K760	L715-S719 WeakPolarHBondContact O-CB 3.42Å; L715-S719 PolarHBondContact O-N 3.32Å; S716-S719 WeakPolarHBondContact O-CB 3.31Å; S716-S719 PolarHBondContact O-N 2.94Å; L717-S719 VanDerWaalsContact C-N 3.33Å; L717-S719 PolarHBondContact O-N 3.38Å; S719-A723 VanDerWaalsContact O-CA 3.28Å; S719-A723 WeakPolarHBondContact O-CA 3.25Å; S719-A723 PolarHBondContact O-N 3.23Å; S719-E759 WeakPolarHBondContact CB-O 3.04Å; S719-E759 PolarHBondContact OG-O 3.01Å; S719-K760 PolarHBondContact OG-O 2.98Å
720	Q	93.9	Very high	91.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-67	-41	178.4	-65.2	164.1	23	0	0	112.5	S716 L717 T718 P838 L868 H871 V873	S716-Q720 WeakPolarHBondContact O-CG 3.4Å; S716-Q720 PolarHBondContact O-N 3.4Å; L717-Q720 WeakPolarHBondContact O-CB 3.38Å; L717-Q720 PolarHBondContact O-N 2.9Å; T718-Q720 VanDerWaalsContact C-N 3.31Å; T718-Q720 PolarHBondContact O-N 3.31Å; Q720-P838 PolarHBondContact NE2-O 3.05Å; Q720-L868 HydrophobicContact CB-CD2 4.38Å; Q720-H871 HydrophobicContact CB-CB 4.41Å; Q720-H871 WeakPolarHBondContact O-CB 3.11Å; Q720-V873 HydrophobicContact CG-CG2 4.37Å
721	L	93.4	Very high	91.9	Very high	8 Å²	8	25 Å²	25	4%	0.042	15%	0.154	C	C	.	.	H	α-helix	trans	-72.6	-40.5	-178.8	-178	61.5	0	0	0	112.2	L697 L717 T718 L829 L864 L867 L868	L697-L721 HydrophobicContact CD1-CD2 4.02Å; L697-L721 HydrophobicContact CD2-CD2 4.31Å; L717-L721 WeakPolarHBondContact O-CB 3.39Å; L717-L721 PolarHBondContact O-N 3.46Å; T718-L721 PolarHBondContact O-N 3Å; L721-L829 HydrophobicContact CD2-CD1 4.18Å; L721-L864 HydrophobicContact CD1-CD2 4.01Å; L721-L864 HydrophobicContact CD2-CD2 4.16Å; L721-L867 HydrophobicContact CD1-CB 4.09Å; L721-L868 HydrophobicContact CD1-CD1 4.24Å; L721-L868 HydrophobicContact CD1-CG 3.96Å
722	K	92.7	Very high	92.4	Very high	26 Å²	26	23 Å²	23	11%	0.113	15%	0.145	C	C	.	.	H	α-helix	trans	-91.6	-20.4	-176.6	-65.8	-70.7	-82.3	169.5	0	113.8	P695 Q696 L697 T718 G724 K725 L727	P695-K722 WeakPolarHBondContact O-CE 3.45Å; P695-K722 PolarHBondContact O-NZ 3.43Å; Q696-K722 VanDerWaalsContact OE1-NZ 3.09Å; L697-K722 HydrophobicContact CD1-CD 3.87Å; L697-K722 HydrophobicContact CD1-CG 3.47Å; L697-K722 VanDerWaalsContact CD1-CG 3.47Å; L697-K722 HydrophobicContact CG-CD 4.09Å; L697-K722 HydrophobicContact CG-CG 4.21Å; T718-K722 WeakPolarHBondContact O-CB 3.43Å; T718-K722 PolarHBondContact O-N 2.99Å; K722-G724 PolarHBondContact O-N 2.87Å; K722-K725 WeakPolarHBondContact CE-O 3.46Å; K722-K725 PolarHBondContact NZ-O 3.15Å; K722-K725 PolarHBondContact O-N 3.4Å; K722-L727 VanDerWaalsContact CE-O 3.29Å; K722-L727 WeakPolarHBondContact CE-O 3.35Å
723	A	88.3	Confident	92.5	Very high	58 Å²	58	22 Å²	22	48%	0.479	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	33.4	-177.2	0	0	0	0	0	113.7	S719	S719-A723 VanDerWaalsContact O-CA 3.28Å; S719-A723 WeakPolarHBondContact O-CA 3.25Å; S719-A723 PolarHBondContact O-N 3.23Å
724	G	84	Confident	92.6	Very high	32 Å²	32	20.7 Å²	20.7	33%	0.33	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	16.6	-178.2	0	0	0	0	0	116	K722	K722-G724 PolarHBondContact O-N 2.87Å
725	K	88	Confident	92.5	Very high	163 Å²	163	27 Å²	27	71%	0.709	16%	0.162	S	C	*	.			trans	-116.8	150.8	178.7	-59.9	-179.8	-177.6	178.6	0	112.1	K722	K722-K725 WeakPolarHBondContact CE-O 3.46Å; K722-K725 PolarHBondContact NZ-O 3.15Å; K722-K725 PolarHBondContact O-N 3.4Å
726	G	87.2	Confident	92.3	Very high	56 Å²	56	28 Å²	28	58%	0.577	17%	0.172	S	C	*	.	S	Bend	trans	74.1	-175.9	178.6	0	0	0	0	0	113.8
727	L	91.9	Very high	92.2	Very high	14 Å²	14	31.4 Å²	31.4	7%	0.073	19%	0.192	C	C	.	.			trans	-81.9	134.4	-177.8	-178.2	67.5	0	0	0	111	Q696 L697 K722 I729 F764 L789 Q790	Q696-L727 HydrophobicContact CB-CB 4.22Å; Q696-L727 HydrophobicContact CG-CB 4.46Å; Q696-L727 PolarHBondContact OE1-O 3.19Å; L697-L727 PolarHBondContact N-O 3.05Å; K722-L727 VanDerWaalsContact CE-O 3.29Å; K722-L727 WeakPolarHBondContact CE-O 3.35Å; L727-I729 HydrophobicContact CD1-CG1 4.19Å; L727-I729 HydrophobicContact CD2-CD1 4.24Å; L727-I729 HydrophobicContact CD2-CG1 4.49Å; L727-I729 HydrophobicContact CG-CG1 4.23Å; L727-F764 HydrophobicContact CD1-CD2 3.79Å; L727-F764 HydrophobicContact CD1-CE2 3.71Å; L727-L789 HydrophobicContact CD1-CD1 4.32Å; L727-L789 HydrophobicContact CD1-CD2 4.2Å; L727-L789 HydrophobicContact CD1-CG 4.02Å; L727-L789 HydrophobicContact CD2-CD1 4.24Å; L727-L789 HydrophobicContact CD2-CG 3.96Å; L727-Q790 WeakPolarHBondContact CD2-O 3.48Å
728	T	95.6	Very high	92	Very high	4 Å²	4	37.4 Å²	37.4	3%	0.025	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	125.3	170.3	-53	0	0	0	0	107.9	L697 V699 T718 V761 G763 F764	L697-T728 HydrophobicContact CB-CG2 4.46Å; L697-T728 CarbonylContact O-C 3.55Å; L697-T728 WeakPolarHBondContact O-CA 3.48Å; V699-T728 HydrophobicContact CG2-CG2 4.16Å; T718-T728 HydrophobicContact CG2-CG2 3.47Å; T718-T728 VanDerWaalsContact CG2-CG2 3.47Å; T728-V761 HydrophobicContact CG2-CG1 3.92Å; T728-G763 CarbonylContact O-C 3.53Å; T728-G763 WeakPolarHBondContact O-CA 3.49Å; T728-F764 PolarHBondContact O-N 3Å
729	I	95.9	Very high	91.9	Very high	5 Å²	5	45 Å²	45	3%	0.026	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	127.2	174.7	-57.1	175.6	0	0	0	106.6	L697 L698 V699 L727 F764 Q766	L697-I729 PolarHBondContact O-N 2.76Å; L698-I729 CarbonylContact C-O 3.54Å; L698-I729 WeakPolarHBondContact CA-O 3.41Å; L698-I729 HydrophobicContact CD1-CB 4.05Å; L698-I729 HydrophobicContact CD1-CG2 3.8Å; V699-I729 PolarHBondContact N-O 2.94Å; L727-I729 HydrophobicContact CD1-CG1 4.19Å; L727-I729 HydrophobicContact CD2-CD1 4.24Å; L727-I729 HydrophobicContact CD2-CG1 4.49Å; L727-I729 HydrophobicContact CG-CG1 4.23Å; I729-F764 CarbonylContact C-O 3.56Å; I729-F764 WeakPolarHBondContact CA-O 3.49Å; I729-Q766 HydrophobicContact CG2-CB 4.39Å
730	V	96.2	Very high	91.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	111.2	175.2	-177.9	0	0	0	0	107.7	V699 V701 L715 I752 M756 F764 C765 Q766	V699-V730 HydrophobicContact CB-CG2 4.45Å; V699-V730 CarbonylContact O-C 3.28Å; V699-V730 WeakPolarHBondContact O-CA 3.45Å; V701-V730 HydrophobicContact CB-CG1 4.34Å; V701-V730 HydrophobicContact CG2-CG1 3.67Å; L715-V730 HydrophobicContact CD2-CG1 3.99Å; L715-V730 HydrophobicContact CD2-CG2 3.71Å; V730-I752 HydrophobicContact CB-CG2 4.31Å; V730-I752 HydrophobicContact CG1-CG2 3.67Å; V730-M756 HydrophobicContact CB-CE 4.48Å; V730-M756 HydrophobicContact CB-SD 3.95Å; V730-M756 HydrophobicContact CG2-CE 3.78Å; V730-M756 HydrophobicContact CG2-CG 4.12Å; V730-M756 HydrophobicContact CG2-SD 3.7Å; V730-F764 PolarHBondContact N-O 2.93Å; V730-C765 WeakPolarHBondContact O-CA 3.36Å; V730-Q766 PolarHBondContact O-N 3.49Å
731	G	94.7	Very high	91.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	138.2	-178	0	0	0	0	0	111.9	V699 L700 V701 Q766	V699-G731 PolarHBondContact O-N 3.21Å; L700-G731 WeakPolarHBondContact CA-O 3.5Å; V701-G731 PolarHBondContact N-O 3.14Å; G731-Q766 CarbonylContact C-O 3.59Å; G731-Q766 VanDerWaalsContact CA-O 3.29Å; G731-Q766 WeakPolarHBondContact CA-O 3.31Å
732	S	94.7	Very high	91.4	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.021	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	146.5	168.6	-162.3	0	0	0	0	111.2	V701 V703 Q766 V767 V768	V701-S732 WeakPolarHBondContact O-CB 3.46Å; V701-S732 PolarHBondContact O-OG 3.4Å; V703-S732 WeakPolarHBondContact CG2-OG 3.46Å; S732-Q766 PolarHBondContact N-O 2.95Å; S732-V767 WeakPolarHBondContact O-CA 3.5Å; S732-V768 PolarHBondContact O-N 3.44Å
733	V	93.7	Very high	91.3	Very high	19 Å²	19	56.1 Å²	56.1	12%	0.115	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	124.5	179.6	-175.7	0	0	0	0	108.6	V768 L773 V777 L780	V733-V768 CarbonylContact C-O 3.59Å; V733-V768 WeakPolarHBondContact CA-O 3.32Å; V733-L773 HydrophobicContact CB-CD1 3.82Å; V733-L773 HydrophobicContact CG1-CD1 3.84Å; V733-V777 HydrophobicContact CG2-CG2 3.82Å; V733-L780 HydrophobicContact CG2-CD1 3.43Å; V733-L780 VanDerWaalsContact CG2-CD1 3.43Å; V733-L780 HydrophobicContact CG2-CG 4.35Å
734	L	92.3	Very high	91.4	Very high	22 Å²	22	57.3 Å²	57.3	12%	0.115	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	131	172.7	-61	178.3	0	0	0	109.1	V703 A745 A748 V767 V768 I769 S770	V703-L734 HydrophobicContact CB-CD2 4.25Å; V703-L734 HydrophobicContact CG1-CD2 4.39Å; L734-A745 HydrophobicContact CD1-CB 4.06Å; L734-A748 HydrophobicContact CD1-CB 3.97Å; L734-V767 HydrophobicContact CD1-CG1 3.89Å; L734-V767 HydrophobicContact CG-CG1 4.03Å; L734-V768 PolarHBondContact N-O 2.93Å; L734-I769 HydrophobicContact CB-CG1 4.38Å; L734-I769 WeakPolarHBondContact O-CA 3.27Å; L734-S770 PolarHBondContact O-N 3.47Å
735	E	90.2	Very high	91.7	Very high	139 Å²	139	56.3 Å²	56.3	65%	0.65	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	128.1	175.5	-169.1	172.3	-176.1	0	0	110	N741 S770	E735-N741 PolarHBondContact O-ND2 3.46Å; E735-S770 CarbonylContact C-O 3.21Å; E735-S770 WeakPolarHBondContact CA-O 3.36Å
736	G	90.8	Very high	91.8	Very high	21 Å²	21	53.1 Å²	53.1	22%	0.216	29%	0.292	C	S	.	.	S	Bend	trans	149.7	-168.7	176.6	0	0	0	0	0	114.5	I769 S770 S771	G736-I769 WeakPolarHBondContact O-CG2 3.28Å; G736-S770 PolarHBondContact N-O 3.27Å; G736-S770 CarbonylContact O-C 3.59Å; G736-S771 PolarHBondContact O-N 2.96Å
737	T	90.8	Very high	92.1	Very high	74 Å²	74	58 Å²	58	45%	0.454	29%	0.292	S	S	.	.			trans	-99.8	136	176.4	43.9	0	0	0	0	110	L739 D740 N741	T737-L739 VanDerWaalsContact C-N 3.3Å; T737-L739 PolarHBondContact O-N 2.94Å; T737-D740 PolarHBondContact O-N 3.31Å; T737-D740 PolarHBondContact OG1-OD2 2.94Å; T737-N741 WeakPolarHBondContact O-CB 3.32Å; T737-N741 PolarHBondContact O-N 3.44Å
738	F	90.7	Very high	92.1	Very high	130 Å²	130	57.3 Å²	57.3	57%	0.57	29%	0.289	S	S	*	.	H	α-helix	trans	-60.5	-38.4	-177.2	-178.8	-95.7	0	0	0	112.9	D740 H742 I769	F738-D740 VanDerWaalsContact C-N 3.3Å; F738-D740 PolarHBondContact O-N 2.94Å; F738-H742 AromaticContact CE2-ND1 3.5Å; F738-H742 WeakPolarHBondContact CE2-ND1 3.38Å; F738-H742 AromaticContact CZ-CE1 3.87Å; F738-H742 AromaticContact CZ-ND1 3.25Å; F738-H742 VanDerWaalsContact CZ-ND1 3.25Å; F738-H742 WeakPolarHBondContact CZ-ND1 3.42Å; F738-H742 WeakPolarHBondContact O-CB 3.34Å; F738-H742 PolarHBondContact O-N 3.45Å; F738-I769 HydrophobicContact CD2-CB 4.47Å; F738-I769 HydrophobicContact CD2-CD1 3.84Å; F738-I769 HydrophobicContact CE2-CD1 4.5Å
739	L	91	Very high	92	Very high	162 Å²	162	59.7 Å²	59.7	85%	0.848	30%	0.3	S	S	*	.	H	α-helix	trans	-58.4	-40.3	-178.8	-68.7	170.7	0	0	0	112.6	T737	T737-L739 VanDerWaalsContact C-N 3.3Å; T737-L739 PolarHBondContact O-N 2.94Å
740	D	90.4	Very high	91.8	Very high	111 Å²	111	64.2 Å²	64.2	59%	0.594	32%	0.321	S	S	*	.	H	α-helix	trans	-92	-34.6	-174.9	-53.2	-51.3	0	0	0	111.7	T737 F738	T737-D740 PolarHBondContact O-N 3.31Å; T737-D740 PolarHBondContact OG1-OD2 2.94Å; F738-D740 VanDerWaalsContact C-N 3.3Å; F738-D740 PolarHBondContact O-N 2.94Å
741	N	89.4	Confident	91.7	Very high	29 Å²	29	65.7 Å²	65.7	16%	0.155	33%	0.331	C	S	.	.	H	α-helix	trans	-101.8	2.8	-170.2	-65	20.2	0	0	0	113.8	E735 T737 P743 Q744 A745 I769	E735-N741 PolarHBondContact O-ND2 3.46Å; T737-N741 WeakPolarHBondContact O-CB 3.32Å; T737-N741 PolarHBondContact O-N 3.44Å; N741-P743 VanDerWaalsContact C-CD 3.47Å; N741-Q744 WeakPolarHBondContact O-CA 3.38Å; N741-Q744 VanDerWaalsContact O-CB 3.3Å; N741-Q744 WeakPolarHBondContact O-CB 3.49Å; N741-Q744 PolarHBondContact O-N 3.33Å; N741-A745 PolarHBondContact O-N 3.15Å; N741-A745 VanDerWaalsContact O-N 3.09Å; N741-I769 HydrophobicContact CB-CD1 4.05Å
742	H	90.7	Very high	91.6	Very high	71 Å²	71	65.7 Å²	65.7	33%	0.329	33%	0.331	S	S	.	.	H	α-helix	trans	-46.9	-48.6	175.7	-175.4	65.4	0	0	0	115	F738 Q744 A745 Q746	F738-H742 AromaticContact CE2-ND1 3.5Å; F738-H742 WeakPolarHBondContact CE2-ND1 3.38Å; F738-H742 AromaticContact CZ-CE1 3.87Å; F738-H742 AromaticContact CZ-ND1 3.25Å; F738-H742 VanDerWaalsContact CZ-ND1 3.25Å; F738-H742 WeakPolarHBondContact CZ-ND1 3.42Å; F738-H742 WeakPolarHBondContact O-CB 3.34Å; F738-H742 PolarHBondContact O-N 3.45Å; H742-Q744 PolarHBondContact O-N 3.23Å; H742-A745 PolarHBondContact O-N 3.18Å; H742-Q746 PolarHBondContact NE2-NE2 3.42Å; H742-Q746 PolarHBondContact O-N 3.14Å; H742-Q746 VanDerWaalsContact O-N 3.16Å
743	P	91	Very high	91.6	Very high	65 Å²	65	71.8 Å²	71.8	42%	0.422	35%	0.353	S	S	.	.	H	α-helix	trans	-65.1	-27.3	178.5	25.5	-35.1	0	0	0	112.9	N741 R747	N741-P743 VanDerWaalsContact C-CD 3.47Å; P743-R747 WeakPolarHBondContact O-CG 3.48Å; P743-R747 PolarHBondContact O-N 3.05Å
744	Q	89.9	Confident	91.6	Very high	83 Å²	83	78.7 Å²	78.7	39%	0.388	38%	0.378	S	S	.	.	H	α-helix	trans	-71.6	-40.1	176	-59.1	-179.7	13	0	0	111.2	Q707 N741 H742 R747 A748	Q707-Q744 VanDerWaalsContact NE2-CB 3.28Å; N741-Q744 WeakPolarHBondContact O-CA 3.38Å; N741-Q744 VanDerWaalsContact O-CB 3.3Å; N741-Q744 WeakPolarHBondContact O-CB 3.49Å; N741-Q744 PolarHBondContact O-N 3.33Å; H742-Q744 PolarHBondContact O-N 3.23Å; Q744-R747 PolarHBondContact O-N 3.37Å; Q744-A748 WeakPolarHBondContact O-CB 3.3Å; Q744-A748 PolarHBondContact O-N 2.88Å
745	A	90.4	Very high	91.7	Very high	11 Å²	11	79.5 Å²	79.5	9%	0.091	38%	0.382	C	S	.	.	H	α-helix	trans	-62.2	-41.7	174.1	0	0	0	0	0	112.7	L734 N741 H742 R747 A748 E749 V767 I769	L734-A745 HydrophobicContact CD1-CB 4.06Å; N741-A745 PolarHBondContact O-N 3.15Å; N741-A745 VanDerWaalsContact O-N 3.09Å; H742-A745 PolarHBondContact O-N 3.18Å; A745-R747 PolarHBondContact O-N 3.44Å; A745-A748 PolarHBondContact O-N 3.35Å; A745-E749 WeakPolarHBondContact O-CB 3.38Å; A745-E749 PolarHBondContact O-N 2.96Å; A745-V767 HydrophobicContact CB-CG1 4.17Å; A745-I769 HydrophobicContact CB-CD1 3.58Å; A745-I769 HydrophobicContact CB-CG1 3.83Å
746	Q	91.5	Very high	91.9	Very high	97 Å²	97	73.3 Å²	73.3	45%	0.453	35%	0.353	S	S	.	.	H	α-helix	trans	-61.3	-44.2	176.4	-70.6	-174.3	-20.1	0	0	112.1	H742 E749 E750	H742-Q746 PolarHBondContact NE2-NE2 3.42Å; H742-Q746 PolarHBondContact O-N 3.14Å; H742-Q746 VanDerWaalsContact O-N 3.16Å; Q746-E749 PolarHBondContact O-N 3.23Å; Q746-E750 PolarHBondContact O-N 3.22Å
747	R	91.9	Very high	92	Very high	158 Å²	158	79.8 Å²	79.8	60%	0.596	38%	0.378	S	S	*	.	H	α-helix	trans	-66.2	-42.1	177.4	-70.6	176.7	-172.5	174.1	3.9	112.5	P743 Q744 A745 E749 E750 S751	P743-R747 WeakPolarHBondContact O-CG 3.48Å; P743-R747 PolarHBondContact O-N 3.05Å; Q744-R747 PolarHBondContact O-N 3.37Å; A745-R747 PolarHBondContact O-N 3.44Å; R747-E749 VanDerWaalsContact C-N 3.32Å; R747-E749 PolarHBondContact O-N 2.9Å; R747-E750 PolarHBondContact O-N 3.1Å; R747-S751 WeakPolarHBondContact O-CB 3.37Å; R747-S751 PolarHBondContact O-N 2.92Å
748	A	92.1	Very high	92.1	Very high	0 Å²	0	79.6 Å²	79.6	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-61.1	-42.3	174.5	0	0	0	0	0	111.2	V703 L734 Q744 A745 S751 I752 V767	V703-A748 HydrophobicContact CG1-CB 4.37Å; L734-A748 HydrophobicContact CD1-CB 3.97Å; Q744-A748 WeakPolarHBondContact O-CB 3.3Å; Q744-A748 PolarHBondContact O-N 2.88Å; A745-A748 PolarHBondContact O-N 3.35Å; A748-S751 WeakPolarHBondContact O-CB 3.28Å; A748-S751 PolarHBondContact O-N 3.01Å; A748-I752 WeakPolarHBondContact O-CD1 3.32Å; A748-I752 VanDerWaalsContact O-CG1 3.24Å; A748-I752 WeakPolarHBondContact O-CG1 3.15Å; A748-I752 PolarHBondContact O-N 3.47Å; A748-V767 HydrophobicContact CB-CG1 4.5Å
749	E	93.2	Very high	92.2	Very high	53 Å²	53	75.3 Å²	75.3	25%	0.248	37%	0.365	C	S	.	.	H	α-helix	trans	-62.6	-45.2	176.8	-171.7	179.5	-176.9	0	0	112.2	A745 Q746 R747 I752 R753 C765 V767	A745-E749 WeakPolarHBondContact O-CB 3.38Å; A745-E749 PolarHBondContact O-N 2.96Å; Q746-E749 PolarHBondContact O-N 3.23Å; R747-E749 VanDerWaalsContact C-N 3.32Å; R747-E749 PolarHBondContact O-N 2.9Å; E749-I752 PolarHBondContact O-N 3.38Å; E749-R753 WeakPolarHBondContact O-CB 3.43Å; E749-R753 VanDerWaalsContact O-CG 3.3Å; E749-R753 WeakPolarHBondContact O-CG 3.4Å; E749-R753 PolarHBondContact O-N 3.11Å; E749-R753 IonicContact OE1-CZ 2.67Å; E749-R753 VanDerWaalsContact OE1-CZ 3.24Å; E749-R753 IonicContact OE1-NE 2.71Å; E749-R753 PolarHBondContact OE1-NE 3.13Å; E749-R753 IonicContact OE1-NH2 3.97Å; E749-R753 PolarHBondContact OE1-NH2 3.21Å; E749-C765 HydrophobicContact CG-CB 4.4Å; E749-V767 HydrophobicContact CB-CG2 3.86Å; E749-V767 HydrophobicContact CG-CG2 4.28Å
750	E	92.8	Very high	92.2	Very high	101 Å²	101	75 Å²	75	47%	0.472	36%	0.357	S	S	.	.	H	α-helix	trans	-61.7	-42.9	174.6	-75.9	-172.2	-162.6	0	0	112.5	Q746 R747 R753 R754	Q746-E750 PolarHBondContact O-N 3.22Å; R747-E750 PolarHBondContact O-N 3.1Å; E750-R753 PolarHBondContact O-N 3.37Å; E750-R754 WeakPolarHBondContact O-CG 3.27Å; E750-R754 PolarHBondContact O-N 2.99Å; E750-R754 IonicContact OE2-CZ 2.88Å; E750-R754 IonicContact OE2-NH2 3.64Å; E750-R754 PolarHBondContact OE2-NH2 3.49Å
751	S	92.9	Very high	92.4	Very high	30 Å²	30	70.3 Å²	70.3	21%	0.21	33%	0.332	C	S	.	.	H	α-helix	trans	-59	-49.2	177	-178.3	0	0	0	0	111	Q707 R747 A748 R753 R754 L755	Q707-S751 VanDerWaalsContact O-CB 3.31Å; Q707-S751 WeakPolarHBondContact O-CB 3.41Å; Q707-S751 PolarHBondContact O-OG 3.1Å; R747-S751 WeakPolarHBondContact O-CB 3.37Å; R747-S751 PolarHBondContact O-N 2.92Å; A748-S751 WeakPolarHBondContact O-CB 3.28Å; A748-S751 PolarHBondContact O-N 3.01Å; S751-R753 PolarHBondContact O-N 3.09Å; S751-R754 PolarHBondContact O-N 3.38Å; S751-L755 PolarHBondContact O-N 3.05Å
752	I	94	Very high	92.5	Very high	0 Å²	0	76.2 Å²	76.2	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-61	-45.6	176.6	-66.8	163.6	0	0	0	110.7	V703 V709 V730 A748 E749 R754 L755 M756 C765 V767	V703-I752 HydrophobicContact CG2-CD1 4.04Å; V703-I752 HydrophobicContact CG2-CG1 4.38Å; V709-I752 HydrophobicContact CG2-CG1 3.84Å; V730-I752 HydrophobicContact CB-CG2 4.31Å; V730-I752 HydrophobicContact CG1-CG2 3.67Å; A748-I752 WeakPolarHBondContact O-CD1 3.32Å; A748-I752 VanDerWaalsContact O-CG1 3.24Å; A748-I752 WeakPolarHBondContact O-CG1 3.15Å; A748-I752 PolarHBondContact O-N 3.47Å; E749-I752 PolarHBondContact O-N 3.38Å; I752-R754 PolarHBondContact O-N 2.94Å; I752-L755 PolarHBondContact O-N 3.01Å; I752-M756 HydrophobicContact CG2-CG 4.22Å; I752-M756 HydrophobicContact CG2-SD 3.99Å; I752-M756 VanDerWaalsContact O-CG 3.3Å; I752-M756 WeakPolarHBondContact O-CG 3.37Å; I752-M756 PolarHBondContact O-N 2.87Å; I752-C765 HydrophobicContact CG2-CB 4.47Å; I752-C765 WeakPolarHBondContact CG2-SG 3.31Å; I752-V767 HydrophobicContact CD1-CG2 3.82Å
753	R	94.5	Very high	92.6	Very high	131 Å²	131	74.5 Å²	74.5	49%	0.494	36%	0.358	S	S	.	.	H	α-helix	trans	-61.5	-44	179.2	-74.9	176.1	-175.6	-170.6	0.6	112.4	E749 E750 S751 L755 M756 E757 C765	E749-R753 WeakPolarHBondContact O-CB 3.43Å; E749-R753 VanDerWaalsContact O-CG 3.3Å; E749-R753 WeakPolarHBondContact O-CG 3.4Å; E749-R753 PolarHBondContact O-N 3.11Å; E749-R753 IonicContact OE1-CZ 2.67Å; E749-R753 VanDerWaalsContact OE1-CZ 3.24Å; E749-R753 IonicContact OE1-NE 2.71Å; E749-R753 PolarHBondContact OE1-NE 3.13Å; E749-R753 IonicContact OE1-NH2 3.97Å; E749-R753 PolarHBondContact OE1-NH2 3.21Å; E750-R753 PolarHBondContact O-N 3.37Å; S751-R753 PolarHBondContact O-N 3.09Å; R753-L755 VanDerWaalsContact C-N 3.28Å; R753-L755 PolarHBondContact O-N 3.07Å; R753-M756 WeakPolarHBondContact O-CB 3.35Å; R753-M756 PolarHBondContact O-N 2.72Å; R753-E757 PolarHBondContact O-N 2.98Å; R753-C765 HydrophobicContact CG-CB 3.9Å
754	R	94.2	Very high	92.8	Very high	165 Å²	165	77.4 Å²	77.4	62%	0.623	36%	0.364	S	S	*	.	H	α-helix	trans	-60.5	-40.4	175.9	-71.3	175.9	-161.3	173	9.5	111.3	E750 S751 I752 E757 A758	E750-R754 WeakPolarHBondContact O-CG 3.27Å; E750-R754 PolarHBondContact O-N 2.99Å; E750-R754 IonicContact OE2-CZ 2.88Å; E750-R754 IonicContact OE2-NH2 3.64Å; E750-R754 PolarHBondContact OE2-NH2 3.49Å; S751-R754 PolarHBondContact O-N 3.38Å; I752-R754 PolarHBondContact O-N 2.94Å; R754-E757 PolarHBondContact O-N 3.37Å; R754-A758 PolarHBondContact O-N 3.47Å
755	L	93.3	Very high	93	Very high	39 Å²	39	74.4 Å²	74.4	20%	0.204	35%	0.352	C	S	.	.	H	α-helix	trans	-70	-39	177	-173	62.9	0	0	0	112.4	V709 P712 L715 S751 I752 R753 E757 A758 E759	V709-L755 HydrophobicContact CB-CD2 3.53Å; V709-L755 HydrophobicContact CG1-CD2 3.72Å; V709-L755 HydrophobicContact CG2-CD2 3.77Å; P712-L755 HydrophobicContact CB-CD1 4.13Å; P712-L755 HydrophobicContact CB-CD2 3.94Å; L715-L755 HydrophobicContact CD1-CB 4.3Å; L715-L755 HydrophobicContact CD1-CD2 3.66Å; L715-L755 HydrophobicContact CD1-CG 3.77Å; S751-L755 PolarHBondContact O-N 3.05Å; I752-L755 PolarHBondContact O-N 3.01Å; R753-L755 VanDerWaalsContact C-N 3.28Å; R753-L755 PolarHBondContact O-N 3.07Å; L755-E757 VanDerWaalsContact C-N 3.3Å; L755-E757 PolarHBondContact O-N 3.06Å; L755-A758 PolarHBondContact O-N 3.39Å; L755-E759 HydrophobicContact CD1-CG 4.23Å; L755-E759 HydrophobicContact CG-CG 4.5Å; L755-E759 WeakPolarHBondContact O-CB 3.42Å; L755-E759 PolarHBondContact O-N 3.43Å
756	M	94.1	Very high	93.2	Very high	9 Å²	9	76.7 Å²	76.7	4%	0.044	36%	0.361	C	S	.	.	H	α-helix	trans	-58.1	-43.2	173.1	-73.1	174.4	68.6	0	0	111.4	L715 V730 I752 R753 K760 V761 C765	L715-M756 HydrophobicContact CD1-CG 4.3Å; V730-M756 HydrophobicContact CB-CE 4.48Å; V730-M756 HydrophobicContact CB-SD 3.95Å; V730-M756 HydrophobicContact CG2-CE 3.78Å; V730-M756 HydrophobicContact CG2-CG 4.12Å; V730-M756 HydrophobicContact CG2-SD 3.7Å; I752-M756 HydrophobicContact CG2-CG 4.22Å; I752-M756 HydrophobicContact CG2-SD 3.99Å; I752-M756 VanDerWaalsContact O-CG 3.3Å; I752-M756 WeakPolarHBondContact O-CG 3.37Å; I752-M756 PolarHBondContact O-N 2.87Å; R753-M756 WeakPolarHBondContact O-CB 3.35Å; R753-M756 PolarHBondContact O-N 2.72Å; M756-K760 PolarHBondContact O-N 3.46Å; M756-V761 HydrophobicContact CB-CB 4.21Å; M756-V761 HydrophobicContact CE-CG1 4.06Å; M756-V761 HydrophobicContact CG-CB 4.4Å; M756-V761 PolarHBondContact O-N 3.41Å; M756-C765 HydrophobicContact SD-CB 4.13Å
757	E	93.8	Very high	93.3	Very high	157 Å²	157	73.3 Å²	73.3	73%	0.734	35%	0.347	S	S	*	.	H	α-helix	trans	-64	-44.8	175.5	-71.6	-179	-179.9	0	0	112	R753 R754 L755 E759 K760	R753-E757 PolarHBondContact O-N 2.98Å; R754-E757 PolarHBondContact O-N 3.37Å; L755-E757 VanDerWaalsContact C-N 3.3Å; L755-E757 PolarHBondContact O-N 3.06Å; E757-E759 PolarHBondContact O-N 3.35Å; E757-K760 PolarHBondContact O-N 3.03Å; E757-K760 VanDerWaalsContact O-N 3.15Å
758	A	92.8	Very high	93.3	Very high	70 Å²	70	67.5 Å²	67.5	58%	0.579	33%	0.329	S	S	*	.	H	α-helix	trans	-60.5	-43.4	177.6	0	0	0	0	0	112.3	R754 L755 K760	R754-A758 PolarHBondContact O-N 3.47Å; L755-A758 PolarHBondContact O-N 3.39Å; A758-K760 VanDerWaalsContact C-N 3.26Å; A758-K760 PolarHBondContact O-N 3.36Å
759	E	91.9	Very high	93.4	Very high	39 Å²	39	68.8 Å²	68.8	18%	0.182	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	3.4	178.1	-66.2	-56.3	144.9	0	0	113.9	L715 S716 S719 L755 E757 V761 N840	L715-E759 HydrophobicContact CB-CB 4.24Å; L715-E759 HydrophobicContact CB-CG 4.26Å; S716-E759 WeakPolarHBondContact CB-OE2 3.24Å; S716-E759 PolarHBondContact OG-OE2 2.9Å; S719-E759 WeakPolarHBondContact CB-O 3.04Å; S719-E759 PolarHBondContact OG-O 3.01Å; L755-E759 HydrophobicContact CD1-CG 4.23Å; L755-E759 HydrophobicContact CG-CG 4.5Å; L755-E759 WeakPolarHBondContact O-CB 3.42Å; L755-E759 PolarHBondContact O-N 3.43Å; E757-E759 PolarHBondContact O-N 3.35Å; E759-V761 HydrophobicContact CB-CG2 4.19Å; E759-V761 PolarHBondContact O-N 3.29Å; E759-N840 PolarHBondContact O-ND2 3.36Å; E759-N840 PolarHBondContact OE2-ND2 2.74Å
760	K	92.2	Very high	93.4	Very high	155 Å²	155	67 Å²	67	67%	0.674	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	28.9	179.3	-54.4	178.3	-179.6	175.2	0	114.1	S719 M756 E757 A758 K762	S719-K760 PolarHBondContact OG-O 2.98Å; M756-K760 PolarHBondContact O-N 3.46Å; E757-K760 PolarHBondContact O-N 3.03Å; E757-K760 VanDerWaalsContact O-N 3.15Å; A758-K760 VanDerWaalsContact C-N 3.26Å; A758-K760 PolarHBondContact O-N 3.36Å; K760-K762 PolarHBondContact O-N 2.94Å
761	V	93.2	Very high	93.3	Very high	13 Å²	13	66.7 Å²	66.7	8%	0.079	34%	0.338	C	S	.	.			trans	-78.5	113.7	173.6	-178.3	0	0	0	0	109	L715 T718 T728 M756 E759	L715-V761 HydrophobicContact CB-CG2 4.11Å; L715-V761 VanDerWaalsContact O-CG2 3.25Å; L715-V761 WeakPolarHBondContact O-CG2 3.41Å; T718-V761 HydrophobicContact CG2-CG1 4.26Å; T728-V761 HydrophobicContact CG2-CG1 3.92Å; M756-V761 HydrophobicContact CB-CB 4.21Å; M756-V761 HydrophobicContact CE-CG1 4.06Å; M756-V761 HydrophobicContact CG-CB 4.4Å; M756-V761 PolarHBondContact O-N 3.41Å; E759-V761 HydrophobicContact CB-CG2 4.19Å; E759-V761 PolarHBondContact O-N 3.29Å
762	K	92.8	Very high	93.2	Very high	153 Å²	153	67.7 Å²	67.7	67%	0.665	34%	0.341	S	S	*	.			trans	-88.9	112.5	170.4	-66.1	-174.7	178.9	-178.2	0	109	K760	K760-K762 PolarHBondContact O-N 2.94Å
763	G	92.6	Very high	93	Very high	35 Å²	35	70.2 Å²	70.2	36%	0.361	35%	0.354	S	S	.	.	S	Bend	trans	-178	-169.4	-176.4	0	0	0	0	0	113.2	T728	T728-G763 CarbonylContact O-C 3.53Å; T728-G763 WeakPolarHBondContact O-CA 3.49Å
764	F	94.2	Very high	92.8	Very high	126 Å²	126	67.6 Å²	67.6	55%	0.553	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	151.2	177.8	-55.7	-77.8	0	0	0	110.6	L727 T728 I729 V730	L727-F764 HydrophobicContact CD1-CD2 3.79Å; L727-F764 HydrophobicContact CD1-CE2 3.71Å; T728-F764 PolarHBondContact O-N 3Å; I729-F764 CarbonylContact C-O 3.56Å; I729-F764 WeakPolarHBondContact CA-O 3.49Å; V730-F764 PolarHBondContact N-O 2.93Å
765	C	94.7	Very high	92.7	Very high	20 Å²	20	62.1 Å²	62.1	14%	0.135	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	135.8	175.1	-176	0	0	0	0	108.8	V730 E749 I752 R753 M756	V730-C765 WeakPolarHBondContact O-CA 3.36Å; E749-C765 HydrophobicContact CG-CB 4.4Å; I752-C765 HydrophobicContact CG2-CB 4.47Å; I752-C765 WeakPolarHBondContact CG2-SG 3.31Å; R753-C765 HydrophobicContact CG-CB 3.9Å; M756-C765 HydrophobicContact SD-CB 4.13Å
766	Q	93.8	Very high	92.6	Very high	59 Å²	59	60.3 Å²	60.3	28%	0.276	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	112.5	177.7	-171.5	172.3	-6.3	0	0	109.5	I729 V730 G731 S732 V768 L780	I729-Q766 HydrophobicContact CG2-CB 4.39Å; V730-Q766 PolarHBondContact O-N 3.49Å; G731-Q766 CarbonylContact C-O 3.59Å; G731-Q766 VanDerWaalsContact CA-O 3.29Å; G731-Q766 WeakPolarHBondContact CA-O 3.31Å; S732-Q766 PolarHBondContact N-O 2.95Å; Q766-V768 HydrophobicContact CG-CG2 4.42Å; Q766-L780 HydrophobicContact CB-CD2 4.41Å; Q766-L780 HydrophobicContact CG-CD2 3.82Å
767	V	93.7	Very high	92.6	Very high	27 Å²	27	61 Å²	61	16%	0.164	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	124.7	177.5	-177.4	0	0	0	0	108.8	S732 L734 A745 A748 E749 I752	S732-V767 WeakPolarHBondContact O-CA 3.5Å; L734-V767 HydrophobicContact CD1-CG1 3.89Å; L734-V767 HydrophobicContact CG-CG1 4.03Å; A745-V767 HydrophobicContact CB-CG1 4.17Å; A748-V767 HydrophobicContact CB-CG1 4.5Å; E749-V767 HydrophobicContact CB-CG2 3.86Å; E749-V767 HydrophobicContact CG-CG2 4.28Å; I752-V767 HydrophobicContact CD1-CG2 3.82Å
768	V	93.6	Very high	92.6	Very high	36 Å²	36	54.1 Å²	54.1	22%	0.218	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134.7	-179.3	176.2	0	0	0	0	109.4	S732 V733 L734 Q766 L780	S732-V768 PolarHBondContact O-N 3.44Å; V733-V768 CarbonylContact C-O 3.59Å; V733-V768 WeakPolarHBondContact CA-O 3.32Å; L734-V768 PolarHBondContact N-O 2.93Å; Q766-V768 HydrophobicContact CG-CG2 4.42Å; V768-L780 HydrophobicContact CB-CD2 4.5Å; V768-L780 HydrophobicContact CG2-CD2 3.56Å; V768-L780 HydrophobicContact CG2-CG 4.03Å
769	I	93.7	Very high	92.7	Very high	26 Å²	26	55.8 Å²	55.8	13%	0.133	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	127.8	169.9	-60.5	169.9	0	0	0	107.9	L734 G736 F738 N741 A745	L734-I769 HydrophobicContact CB-CG1 4.38Å; L734-I769 WeakPolarHBondContact O-CA 3.27Å; G736-I769 WeakPolarHBondContact O-CG2 3.28Å; F738-I769 HydrophobicContact CD2-CB 4.47Å; F738-I769 HydrophobicContact CD2-CD1 3.84Å; F738-I769 HydrophobicContact CE2-CD1 4.5Å; N741-I769 HydrophobicContact CB-CD1 4.05Å; A745-I769 HydrophobicContact CB-CD1 3.58Å; A745-I769 HydrophobicContact CB-CG1 3.83Å
770	S	92.9	Very high	92.8	Very high	16 Å²	16	53.9 Å²	53.9	11%	0.112	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	147.5	177.5	-179.8	0	0	0	0	110.6	L734 E735 G736 N772	L734-S770 PolarHBondContact O-N 3.47Å; E735-S770 CarbonylContact C-O 3.21Å; E735-S770 WeakPolarHBondContact CA-O 3.36Å; G736-S770 PolarHBondContact N-O 3.27Å; G736-S770 CarbonylContact O-C 3.59Å; S770-N772 WeakPolarHBondContact CB-O 3.28Å; S770-N772 PolarHBondContact O-N 3.41Å; S770-N772 PolarHBondContact OG-N 3.21Å; S770-N772 PolarHBondContact OG-O 2.95Å
771	S	91.2	Very high	92.9	Very high	95 Å²	95	46.9 Å²	46.9	66%	0.664	25%	0.249	S	C	*	.	S	Bend	trans	-66.6	-22	173.3	55.6	0	0	0	0	112.8	G736	G736-S771 PolarHBondContact O-N 2.96Å
772	N	89.9	Confident	92.8	Very high	51 Å²	51	53.1 Å²	53.1	27%	0.273	28%	0.277	S	S	.	.	S	Bend	trans	-132.5	126.2	178.6	-178.4	1.8	0	0	0	109.3	S770 R774 D775 G776	S770-N772 WeakPolarHBondContact CB-O 3.28Å; S770-N772 PolarHBondContact O-N 3.41Å; S770-N772 PolarHBondContact OG-N 3.21Å; S770-N772 PolarHBondContact OG-O 2.95Å; N772-R774 VanDerWaalsContact C-N 3.26Å; N772-R774 PolarHBondContact O-N 3.49Å; N772-R774 PolarHBondContact OD1-N 3.28Å; N772-R774 VanDerWaalsContact OD1-N 3.15Å; N772-D775 HydrophobicContact CB-CB 4.33Å; N772-D775 WeakPolarHBondContact CB-OD2 3.27Å; N772-D775 PolarHBondContact ND2-OD2 3.25Å; N772-D775 PolarHBondContact O-N 3.33Å; N772-G776 PolarHBondContact O-N 3.32Å
773	L	89	Confident	92.7	Very high	53 Å²	53	49.3 Å²	49.3	28%	0.277	27%	0.269	S	S	.	.	H	α-helix	trans	-57.8	-40.2	179.6	-172	74.3	0	0	0	111.7	V733 G776 V777	V733-L773 HydrophobicContact CB-CD1 3.82Å; V733-L773 HydrophobicContact CG1-CD1 3.84Å; L773-G776 PolarHBondContact O-N 3.13Å; L773-V777 WeakPolarHBondContact O-CG2 3.23Å; L773-V777 PolarHBondContact O-N 3.4Å
774	R	90.4	Very high	92.5	Very high	75 Å²	75	47.7 Å²	47.7	28%	0.283	25%	0.253	S	S	.	.	H	α-helix	trans	-58.7	-53.4	179.1	176	-176.5	174.8	-95.3	0.7	111	N772 G776 V777 S778 E816	N772-R774 VanDerWaalsContact C-N 3.26Å; N772-R774 PolarHBondContact O-N 3.49Å; N772-R774 PolarHBondContact OD1-N 3.28Å; N772-R774 VanDerWaalsContact OD1-N 3.15Å; R774-G776 VanDerWaalsContact C-N 3.29Å; R774-G776 PolarHBondContact O-N 3.03Å; R774-V777 PolarHBondContact O-N 3.26Å; R774-S778 WeakPolarHBondContact O-CB 3.43Å; R774-S778 PolarHBondContact O-N 3.32Å; R774-E816 IonicContact CZ-OE2 3.68Å; R774-E816 IonicContact NE-OE2 3.14Å; R774-E816 PolarHBondContact NE-OE2 2.94Å; R774-E816 IonicContact NH2-OE2 3.61Å; R774-E816 PolarHBondContact NH2-OE2 2.96Å
775	D	92.4	Very high	92.3	Very high	51 Å²	51	43.3 Å²	43.3	27%	0.273	24%	0.243	S	C	.	.	H	α-helix	trans	-67.4	-35.4	-175.4	-54.9	-27.1	0	0	0	110.5	N772 S778 H779	N772-D775 HydrophobicContact CB-CB 4.33Å; N772-D775 WeakPolarHBondContact CB-OD2 3.27Å; N772-D775 PolarHBondContact ND2-OD2 3.25Å; N772-D775 PolarHBondContact O-N 3.33Å; D775-S778 WeakPolarHBondContact O-CB 3.44Å; D775-S778 PolarHBondContact O-N 3.06Å; D775-H779 PolarHBondContact O-CD2 3.45Å; D775-H779 PolarHBondContact O-N 3.44Å; D775-H779 PolarHBondContact O-ND1 2.92Å
776	G	92.7	Very high	92	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.5	-40.4	173.7	0	0	0	0	0	113.4	N772 L773 R774 L780	N772-G776 PolarHBondContact O-N 3.32Å; L773-G776 PolarHBondContact O-N 3.13Å; R774-G776 VanDerWaalsContact C-N 3.29Å; R774-G776 PolarHBondContact O-N 3.03Å; G776-L780 PolarHBondContact O-N 2.82Å; G776-L780 VanDerWaalsContact O-N 3.12Å
777	V	93.4	Very high	91.4	Very high	24 Å²	24	46.4 Å²	46.4	15%	0.145	27%	0.266	C	S	.	.	H	α-helix	trans	-67.4	-44	174.7	168.9	0	0	0	0	110.6	L700 V733 L773 R774 H779 L780 I781 L817	L700-V777 HydrophobicContact CD1-CG1 4.05Å; V733-V777 HydrophobicContact CG2-CG2 3.82Å; L773-V777 WeakPolarHBondContact O-CG2 3.23Å; L773-V777 PolarHBondContact O-N 3.4Å; R774-V777 PolarHBondContact O-N 3.26Å; V777-H779 VanDerWaalsContact C-N 3.31Å; V777-H779 PolarHBondContact O-N 3.42Å; V777-L780 PolarHBondContact O-N 3.42Å; V777-L780 VanDerWaalsContact O-N 3.13Å; V777-I781 HydrophobicContact CG1-CD1 3.83Å; V777-I781 HydrophobicContact CG1-CG1 4.45Å; V777-I781 WeakPolarHBondContact O-CG1 3.39Å; V777-I781 PolarHBondContact O-N 3.41Å; V777-L817 HydrophobicContact CG1-CB 4.41Å; V777-L817 HydrophobicContact CG1-CD1 3.93Å; V777-L817 HydrophobicContact CG1-CG 4.23Å
778	S	93.9	Very high	90.8	Very high	13 Å²	13	47.3 Å²	47.3	9%	0.091	28%	0.281	C	S	.	.	H	α-helix	trans	-55.5	-46.5	176.1	-160.9	0	0	0	0	111.5	R774 D775 L780 I781 Q782 E820	R774-S778 WeakPolarHBondContact O-CB 3.43Å; R774-S778 PolarHBondContact O-N 3.32Å; D775-S778 WeakPolarHBondContact O-CB 3.44Å; D775-S778 PolarHBondContact O-N 3.06Å; S778-L780 PolarHBondContact O-N 3.32Å; S778-I781 PolarHBondContact O-N 2.9Å; S778-Q782 WeakPolarHBondContact O-CG 3.49Å; S778-Q782 PolarHBondContact O-N 3.2Å; S778-Q782 VanDerWaalsContact O-N 3.09Å; S778-Q782 PolarHBondContact OG-NE2 3.21Å; S778-E820 VanDerWaalsContact CA-OE2 3.3Å; S778-E820 WeakPolarHBondContact CA-OE2 3.18Å; S778-E820 WeakPolarHBondContact CB-OE1 3.44Å; S778-E820 WeakPolarHBondContact CB-OE2 3.22Å; S778-E820 PolarHBondContact OG-OE1 2.87Å; S778-E820 PolarHBondContact OG-OE2 3.27Å
779	H	94.2	Very high	90.5	Very high	104 Å²	104	48.9 Å²	48.9	48%	0.481	29%	0.288	S	S	.	.	H	α-helix	trans	-63.3	-40.9	176.6	-63.4	159.3	0	0	0	112.4	D775 V777 I781 Q782 S783	D775-H779 PolarHBondContact O-CD2 3.45Å; D775-H779 PolarHBondContact O-N 3.44Å; D775-H779 PolarHBondContact O-ND1 2.92Å; V777-H779 VanDerWaalsContact C-N 3.31Å; V777-H779 PolarHBondContact O-N 3.42Å; H779-I781 PolarHBondContact O-N 3.04Å; H779-Q782 PolarHBondContact O-N 2.97Å; H779-S783 WeakPolarHBondContact O-CB 3.32Å; H779-S783 PolarHBondContact O-N 3.48Å; H779-S783 PolarHBondContact O-OG 3.37Å
780	L	93.6	Very high	90.3	Very high	0 Å²	0	53 Å²	53	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-62.5	-40.5	176.6	-79.6	177.1	0	0	0	112.6	L700 V733 Q766 V768 G776 V777 S778 Q782 G784	L700-L780 HydrophobicContact CD2-CD1 4.09Å; V733-L780 HydrophobicContact CG2-CD1 3.43Å; V733-L780 VanDerWaalsContact CG2-CD1 3.43Å; V733-L780 HydrophobicContact CG2-CG 4.35Å; Q766-L780 HydrophobicContact CB-CD2 4.41Å; Q766-L780 HydrophobicContact CG-CD2 3.82Å; V768-L780 HydrophobicContact CB-CD2 4.5Å; V768-L780 HydrophobicContact CG2-CD2 3.56Å; V768-L780 HydrophobicContact CG2-CG 4.03Å; G776-L780 PolarHBondContact O-N 2.82Å; G776-L780 VanDerWaalsContact O-N 3.12Å; V777-L780 PolarHBondContact O-N 3.42Å; V777-L780 VanDerWaalsContact O-N 3.13Å; S778-L780 PolarHBondContact O-N 3.32Å; L780-Q782 VanDerWaalsContact C-N 3.34Å; L780-G784 WeakPolarHBondContact O-CA 3.41Å; L780-G784 PolarHBondContact O-N 3.3Å
781	I	94.1	Very high	90.3	Very high	8 Å²	8	52.9 Å²	52.9	4%	0.041	30%	0.304	C	S	.	.	H	α-helix	trans	-66.4	-37.9	178.5	-66.4	169.1	0	0	0	110.9	L698 V777 S778 H779 H791 V794 L817 E820 L826	L698-I781 HydrophobicContact CD2-CG1 4.34Å; V777-I781 HydrophobicContact CG1-CD1 3.83Å; V777-I781 HydrophobicContact CG1-CG1 4.45Å; V777-I781 WeakPolarHBondContact O-CG1 3.39Å; V777-I781 PolarHBondContact O-N 3.41Å; S778-I781 PolarHBondContact O-N 2.9Å; H779-I781 PolarHBondContact O-N 3.04Å; I781-H791 PolarHBondContact O-CE1 3Å; I781-H791 PolarHBondContact O-NE2 3.34Å; I781-H791 VanDerWaalsContact O-NE2 3.08Å; I781-V794 HydrophobicContact CG1-CG2 4.39Å; I781-L817 HydrophobicContact CD1-CG 4.11Å; I781-E820 HydrophobicContact CD1-CB 4.4Å; I781-L826 HydrophobicContact CG2-CD1 3.64Å
782	Q	91.6	Very high	90.3	Very high	143 Å²	143	50.1 Å²	50.1	67%	0.668	28%	0.282	S	S	*	.	H	α-helix	trans	-83.5	-31.3	-177.1	-65.4	174.5	34.8	0	0	113.6	S778 H779 L780	S778-Q782 WeakPolarHBondContact O-CG 3.49Å; S778-Q782 PolarHBondContact O-N 3.2Å; S778-Q782 VanDerWaalsContact O-N 3.09Å; S778-Q782 PolarHBondContact OG-NE2 3.21Å; H779-Q782 PolarHBondContact O-N 2.97Å; L780-Q782 VanDerWaalsContact C-N 3.34Å
783	S	91.8	Very high	90.6	Very high	73 Å²	73	47.7 Å²	47.7	51%	0.51	27%	0.269	S	S	.	.	H	α-helix	trans	-114.9	2.9	-170.2	69.3	0	0	0	0	115.2	H779 G785	H779-S783 WeakPolarHBondContact O-CB 3.32Å; H779-S783 PolarHBondContact O-N 3.48Å; H779-S783 PolarHBondContact O-OG 3.37Å; S783-G785 PolarHBondContact O-N 2.69Å
784	G	88.4	Confident	90.9	Very high	2 Å²	2	45.2 Å²	45.2	2%	0.021	26%	0.256	C	S	.	.			trans	-69.2	110.7	180	0	0	0	0	0	113.4	L780 H791	L780-G784 WeakPolarHBondContact O-CA 3.41Å; L780-G784 PolarHBondContact O-N 3.3Å; G784-H791 PolarHBondContact O-CE1 2.96Å; G784-H791 PolarHBondContact O-ND1 2.97Å
785	G	88.6	Confident	91.2	Very high	33 Å²	33	41.7 Å²	41.7	34%	0.34	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	125.2	-170.6	176.3	0	0	0	0	0	113.2	S783 L789	S783-G785 PolarHBondContact O-N 2.69Å; G785-L789 WeakPolarHBondContact CA-O 3.45Å
786	L	88.3	Confident	91.3	Very high	119 Å²	119	40 Å²	40	62%	0.623	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-144.2	119	175.9	-176.7	64.8	0	0	0	110.9	L680 L789	L680-L786 HydrophobicContact CD1-CD2 3.7Å; L680-L786 HydrophobicContact CD1-CG 4.24Å; L786-L789 PolarHBondContact N-O 3.48Å; L786-L789 VanDerWaalsContact N-O 3.11Å; L786-L789 WeakPolarHBondContact O-CB 3.33Å; L786-L789 PolarHBondContact O-N 2.9Å
787	G	82.4	Confident	91.3	Very high	25 Å²	25	40.9 Å²	40.9	26%	0.258	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	-135.5	-176.6	0	0	0	0	0	112.5	E684 L789 Q790	E684-G787 WeakPolarHBondContact OE1-CA 3.4Å; G787-L789 PolarHBondContact O-N 3.48Å; G787-L789 VanDerWaalsContact O-N 3.08Å; G787-Q790 VanDerWaalsContact O-CD 3.23Å; G787-Q790 WeakPolarHBondContact O-CG 3.27Å; G787-Q790 PolarHBondContact O-NE2 3.48Å
788	G	81.2	Confident	91.2	Very high	47 Å²	47	40.6 Å²	40.6	49%	0.485	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-10.6	175.1	0	0	0	0	0	115.7	E684 Q790	E684-G788 PolarHBondContact OE1-N 2.92Å; G788-Q790 PolarHBondContact O-N 2.89Å
789	L	87.2	Confident	91	Very high	69 Å²	69	40.7 Å²	40.7	36%	0.361	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	67.7	176	-165	73.8	0	0	0	110.9	L680 L727 G785 L786 G787	L680-L789 HydrophobicContact CD2-CB 3.62Å; L680-L789 HydrophobicContact CD2-CD2 4.37Å; L727-L789 HydrophobicContact CD1-CD1 4.32Å; L727-L789 HydrophobicContact CD1-CD2 4.2Å; L727-L789 HydrophobicContact CD1-CG 4.02Å; L727-L789 HydrophobicContact CD2-CD1 4.24Å; L727-L789 HydrophobicContact CD2-CG 3.96Å; G785-L789 WeakPolarHBondContact CA-O 3.45Å; L786-L789 PolarHBondContact N-O 3.48Å; L786-L789 VanDerWaalsContact N-O 3.11Å; L786-L789 WeakPolarHBondContact O-CB 3.33Å; L786-L789 PolarHBondContact O-N 2.9Å; G787-L789 PolarHBondContact O-N 3.48Å; G787-L789 VanDerWaalsContact O-N 3.08Å
790	Q	89.6	Confident	90.3	Very high	113 Å²	113	40.8 Å²	40.8	53%	0.528	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	159.6	179.4	-78	168.2	4.2	0	0	112.5	L727 G787 G788	L727-Q790 WeakPolarHBondContact CD2-O 3.48Å; G787-Q790 VanDerWaalsContact O-CD 3.23Å; G787-Q790 WeakPolarHBondContact O-CG 3.27Å; G787-Q790 PolarHBondContact O-NE2 3.48Å; G788-Q790 PolarHBondContact O-N 2.89Å
791	H	92.8	Very high	89.6	Confident	12 Å²	12	45.5 Å²	45.5	6%	0.056	26%	0.261	C	S	.	.			trans	-74.2	148.4	170.3	66.7	-75	0	0	0	110.1	L698 I781 G784	L698-H791 HydrophobicContact CB-CB 3.82Å; L698-H791 WeakPolarHBondContact CB-CD2 3.34Å; L698-H791 WeakPolarHBondContact CD2-NE2 3.34Å; I781-H791 PolarHBondContact O-CE1 3Å; I781-H791 PolarHBondContact O-NE2 3.34Å; I781-H791 VanDerWaalsContact O-NE2 3.08Å; G784-H791 PolarHBondContact O-CE1 2.96Å; G784-H791 PolarHBondContact O-ND1 2.97Å
792	N	91.5	Very high	89.2	Confident	37 Å²	37	45.8 Å²	45.8	20%	0.198	26%	0.261	C	S	.	.			trans	-125	-2.3	175	69.1	8	0	0	0	112.3	W693 R694 Q696 A827	W693-N792 PolarHBondContact NE1-ND2 3.26Å; R694-N792 PolarHBondContact O-ND2 3.04Å; Q696-N792 PolarHBondContact N-OD1 3.49Å; Q696-N792 PolarHBondContact O-N 3.28Å; Q696-N792 PolarHBondContact O-OD1 3.29Å; N792-A827 PolarHBondContact O-N 3.38Å
793	T	94.5	Very high	88.7	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	126.2	-177.2	-52.9	0	0	0	0	109.1	W693 Q696 L697 L698 A827 L829	W693-T793 WeakPolarHBondContact CH2-OG1 3.29Å; W693-T793 WeakPolarHBondContact CZ2-OG1 3.48Å; Q696-T793 PolarHBondContact O-N 3.05Å; L697-T793 CarbonylContact C-O 3.58Å; L697-T793 WeakPolarHBondContact CA-O 3.5Å; L697-T793 HydrophobicContact CD2-CG2 3.75Å; L698-T793 PolarHBondContact N-O 3.48Å; T793-A827 CarbonylContact C-O 3.57Å; T793-A827 VanDerWaalsContact CA-O 3.23Å; T793-A827 WeakPolarHBondContact CA-O 3.38Å; T793-A827 HydrophobicContact CG2-CB 4Å; T793-L829 HydrophobicContact CG2-CD1 3.63Å; T793-L829 HydrophobicContact CG2-CG 3.64Å
794	V	96.3	Very high	88.1	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	127.5	173.7	-178.9	0	0	0	0	109	L698 L700 I781 T821 L826 A827 L828 L829	L698-V794 HydrophobicContact CD2-CG2 4.44Å; L698-V794 CarbonylContact O-C 3.55Å; L698-V794 WeakPolarHBondContact O-CA 3.47Å; L700-V794 HydrophobicContact CD1-CG1 3.73Å; L700-V794 HydrophobicContact CG-CG1 4.22Å; I781-V794 HydrophobicContact CG1-CG2 4.39Å; V794-T821 HydrophobicContact CB-CG2 4Å; V794-T821 HydrophobicContact CG2-CG2 3.79Å; V794-L826 HydrophobicContact CG2-CD1 4.12Å; V794-A827 PolarHBondContact N-O 3.36Å; V794-L828 HydrophobicContact CB-CD1 4.04Å; V794-L828 HydrophobicContact CG1-CD1 4.16Å; V794-L829 PolarHBondContact O-N 2.88Å
795	L	96.1	Very high	86.9	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	120.5	175.6	175.3	63.7	0	0	0	109.5	L698 V699 L700 L714 T718 L829 T831	L698-L795 PolarHBondContact O-N 3.27Å; V699-L795 WeakPolarHBondContact CA-O 3.42Å; V699-L795 HydrophobicContact CG1-CD2 4.16Å; V699-L795 HydrophobicContact CG1-CG 4.4Å; V699-L795 HydrophobicContact CG2-CB 4.36Å; V699-L795 HydrophobicContact CG2-CD2 4.13Å; L700-L795 PolarHBondContact N-O 3.34Å; L714-L795 HydrophobicContact CD1-CD1 4.13Å; L714-L795 HydrophobicContact CD1-CD2 4.05Å; L714-L795 HydrophobicContact CD1-CG 3.89Å; L714-L795 HydrophobicContact CG-CD2 4.38Å; L714-L795 HydrophobicContact CG-CG 4.43Å; T718-L795 WeakPolarHBondContact OG1-CD2 3.17Å; L795-L829 WeakPolarHBondContact CA-O 3.39Å; L795-L829 HydrophobicContact CD1-CB 3.68Å; L795-T831 HydrophobicContact CD1-CG2 3.83Å
796	V	94.6	Very high	85.8	Confident	16 Å²	16	64.1 Å²	64.1	10%	0.097	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	153.9	-177.5	68.3	0	0	0	0	111.5	L700 F814 L817 L828 L829 V830 T831	L700-V796 HydrophobicContact CB-CG2 4.32Å; V796-F814 HydrophobicContact CG1-CE2 4.12Å; V796-L817 HydrophobicContact CB-CD1 4.46Å; V796-L817 HydrophobicContact CG1-CD2 4.16Å; V796-L817 HydrophobicContact CG2-CD1 3.98Å; V796-L828 HydrophobicContact CG1-CD1 4.13Å; V796-L829 PolarHBondContact N-O 2.69Å; V796-V830 HydrophobicContact CG1-CB 4.39Å; V796-V830 HydrophobicContact CG1-CG1 4.28Å; V796-V830 HydrophobicContact CG1-CG2 3.88Å; V796-V830 WeakPolarHBondContact O-CA 3.24Å; V796-T831 PolarHBondContact O-N 3.33Å; V796-T831 PolarHBondContact O-OG1 3.04Å; V796-T831 VanDerWaalsContact O-OG1 3.14Å
797	G	92.8	Very high	84.7	Confident	18 Å²	18	61.8 Å²	61.8	19%	0.186	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	149.3	171.7	0	0	0	0	0	112.4
798	W	91.8	Very high	84.3	Confident	19 Å²	19	64.3 Å²	64.3	7%	0.072	31%	0.314	C	S	.	.			trans	-62.8	136.9	174.1	-176.3	-102.9	0	0	0	112.3	R800 W802 F814 V830 T831 K832 M1110 L1113 E1114 L1125	W798-R800 PolarHBondContact O-N 3.22Å; W798-R800 VanDerWaalsContact O-N 3.13Å; W798-W802 AromaticContact CZ2-NE1 3.93Å; W798-F814 HydrophobicContact CE3-CE1 4.41Å; W798-F814 HydrophobicContact CE3-CZ 4.15Å; W798-F814 AromaticContact CZ3-CE1 3.96Å; W798-F814 HydrophobicContact CZ3-CE1 3.96Å; W798-F814 HydrophobicContact CZ3-CZ 4.04Å; W798-V830 HydrophobicContact CE3-CG1 3.98Å; W798-T831 WeakPolarHBondContact CB-O 3.39Å; W798-T831 PolarHBondContact N-O 3.41Å; W798-K832 HydrophobicContact CB-CB 4.18Å; W798-K832 HydrophobicContact CB-CG 4.08Å; W798-K832 HydrophobicContact CD2-CG 4.32Å; W798-K832 HydrophobicContact CG-CB 4.4Å; W798-K832 HydrophobicContact CG-CG 3.85Å; W798-M1110 HydrophobicContact CH2-CE 3.64Å; W798-M1110 HydrophobicContact CH2-SD 4.19Å; W798-M1110 HydrophobicContact CZ2-CE 3.63Å; W798-M1110 HydrophobicContact CZ3-CE 4.45Å; W798-L1113 HydrophobicContact CH2-CB 3.72Å; W798-L1113 HydrophobicContact CH2-CD1 4.09Å; W798-L1113 HydrophobicContact CZ3-CB 4.27Å; W798-L1113 HydrophobicContact CZ3-CD1 4.06Å; W798-E1114 VanDerWaalsContact CZ2-OE2 3.23Å; W798-E1114 WeakPolarHBondContact CZ2-OE2 3.48Å; W798-E1114 PolarHBondContact NE1-OE2 3.42Å; W798-L1125 HydrophobicContact CE3-CD1 4.46Å; W798-L1125 HydrophobicContact CZ3-CD1 4.14Å
799	P	89.1	Confident	84.3	Confident	15 Å²	15	67.2 Å²	67.2	10%	0.097	32%	0.315	C	S	.	.			trans	-68.6	108.6	174.7	28.6	-34.4	0	0	0	110.8	F814 M1110	P799-F814 HydrophobicContact CG-CB 4.08Å; P799-F814 HydrophobicContact CG-CD1 4.11Å; P799-F814 HydrophobicContact CG-CD2 4.35Å; P799-F814 HydrophobicContact CG-CG 3.91Å; P799-M1110 HydrophobicContact CG-CE 3.96Å
800	R	80.5	Confident	84	Confident	105 Å²	105	65.4 Å²	65.4	40%	0.396	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	150.5	174.7	-67.1	-177.1	175.3	-169	-7.4	110.7	W798 W802 S835	W798-R800 PolarHBondContact O-N 3.22Å; W798-R800 VanDerWaalsContact O-N 3.13Å; R800-W802 PolarHBondContact O-N 3Å; R800-W802 VanDerWaalsContact O-N 3.12Å; R800-S835 PolarHBondContact NH2-OG 3.36Å
801	N	78.4	Confident	83.9	Confident	100 Å²	100	60.6 Å²	60.6	54%	0.535	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	21	172	-60.5	-13.3	0	0	0	115.8	R803 Q804	N801-R803 PolarHBondContact O-N 2.95Å; N801-Q804 HydrophobicContact CB-CG 4.15Å; N801-Q804 WeakPolarHBondContact O-CB 3.42Å; N801-Q804 PolarHBondContact O-N 3.12Å
802	W	85.2	Confident	83.7	Confident	13 Å²	13	65.6 Å²	65.6	5%	0.049	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-21.8	-177.5	69.5	-94.1	0	0	0	114.7	W798 R800 Q804 W811 M1110 E1111 E1114	W798-W802 AromaticContact CZ2-NE1 3.93Å; R800-W802 PolarHBondContact O-N 3Å; R800-W802 VanDerWaalsContact O-N 3.12Å; W802-Q804 VanDerWaalsContact C-N 3.27Å; W802-Q804 PolarHBondContact O-N 2.84Å; W802-W811 HydrophobicContact CB-CB 3.78Å; W802-W811 HydrophobicContact CB-CG 4.41Å; W802-W811 HydrophobicContact CE3-CG 4.38Å; W802-W811 HydrophobicContact CG-CB 4.48Å; W802-M1110 HydrophobicContact CD2-CB 4.4Å; W802-M1110 HydrophobicContact CD2-CE 3.91Å; W802-M1110 HydrophobicContact CE3-CB 4.17Å; W802-M1110 HydrophobicContact CG-CE 3.91Å; W802-M1110 HydrophobicContact CH2-CB 3.55Å; W802-M1110 HydrophobicContact CZ2-CB 3.82Å; W802-M1110 HydrophobicContact CZ3-CB 3.75Å; W802-E1111 HydrophobicContact CH2-CB 4.47Å; W802-E1111 VanDerWaalsContact CH2-CD 3.5Å; W802-E1111 HydrophobicContact CH2-CG 3.78Å; W802-E1111 WeakPolarHBondContact CH2-OE1 3.2Å; W802-E1114 HydrophobicContact CZ2-CB 4.03Å; W802-E1114 HydrophobicContact CZ2-CG 4.32Å; W802-E1114 PolarHBondContact NE1-OE2 2.9Å
803	R	82.3	Confident	83.6	Confident	140 Å²	140	65 Å²	65	53%	0.528	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-14.2	173.8	-71.4	-175.8	172.3	160.7	2.6	113.9	N801 E1111	N801-R803 PolarHBondContact O-N 2.95Å; R803-E1111 IonicContact CZ-OE1 3.09Å; R803-E1111 IonicContact CZ-OE2 3.77Å; R803-E1111 IonicContact NE-OE1 3.13Å; R803-E1111 PolarHBondContact NE-OE1 3.03Å; R803-E1111 IonicContact NE-OE2 3.51Å; R803-E1111 IonicContact NH2-OE1 2.74Å; R803-E1111 IonicContact NH2-OE2 3.83Å; R803-E1111 PolarHBondContact NH2-OE2 3Å
804	Q	79.5	Confident	83.5	Confident	102 Å²	102	65.4 Å²	65.4	48%	0.477	30%	0.3	S	S	.	.	S	Bend	trans	-75.8	134.6	179	-64.5	-179.8	3.8	0	0	110.2	N801 W802 E806 D807	N801-Q804 HydrophobicContact CB-CG 4.15Å; N801-Q804 WeakPolarHBondContact O-CB 3.42Å; N801-Q804 PolarHBondContact O-N 3.12Å; W802-Q804 VanDerWaalsContact C-N 3.27Å; W802-Q804 PolarHBondContact O-N 2.84Å; Q804-E806 PolarHBondContact O-N 3.13Å; Q804-D807 PolarHBondContact O-N 2.9Å
805	K	63.4	Low	83.2	Confident	208 Å²	208	65.4 Å²	65.4	90%	0.904	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-60	-22.7	-172.8	-78.2	-175.5	176.1	179.1	0	114.3	D807	K805-D807 VanDerWaalsContact C-N 3.33Å
806	E	63.5	Low	83	Confident	186 Å²	186	66.4 Å²	66.4	87%	0.869	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-77.1	-17.7	-175.4	-65.7	177	178.9	0	0	113.1	Q804	Q804-E806 PolarHBondContact O-N 3.13Å
807	D	66.2	Low	82.9	Confident	70 Å²	70	66.2 Å²	66.2	37%	0.374	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-116	30.5	-166.7	-96.9	-19.2	0	0	0	114.4	Q804 K805 Q809 T810	Q804-D807 PolarHBondContact O-N 2.9Å; K805-D807 VanDerWaalsContact C-N 3.33Å; D807-Q809 PolarHBondContact O-N 3.34Å; D807-T810 HydrophobicContact CB-CG2 4.18Å; D807-T810 PolarHBondContact O-N 3.2Å; D807-T810 PolarHBondContact O-OG1 3.41Å
808	H	74.6	Confident	83	Confident	79 Å²	79	65.3 Å²	65.3	37%	0.366	30%	0.295	S	S	.	.	H	α-helix	trans	-58.4	-23.2	-175	-151	109	0	0	0	113.8	W811 R812	H808-W811 AromaticContact CD2-CE2 3.87Å; H808-W811 AromaticContact CD2-CZ2 3.76Å; H808-W811 AromaticContact CD2-NE1 3.59Å; H808-W811 AromaticContact CE1-CZ2 3.88Å; H808-W811 AromaticContact CG-NE1 3.72Å; H808-W811 AromaticContact NE2-CE2 3.87Å; H808-W811 AromaticContact NE2-CZ2 3.3Å; H808-W811 VanDerWaalsContact NE2-CZ2 3.3Å; H808-W811 WeakPolarHBondContact NE2-CZ2 2.97Å; H808-W811 AromaticContact NE2-NE1 3.91Å; H808-W811 PolarHBondContact O-NE1 3.49Å; H808-R812 PolarHBondContact CD2-NE 2.8Å; H808-R812 PolarHBondContact CD2-NH2 2.89Å; H808-R812 VanDerWaalsContact CD2-NH2 3.26Å; H808-R812 PolarHBondContact NE2-NE 3.46Å; H808-R812 PolarHBondContact NE2-NH2 3.12Å; H808-R812 WeakPolarHBondContact O-CG 3.47Å
809	Q	79.7	Confident	83	Confident	107 Å²	107	66.4 Å²	66.4	50%	0.5	30%	0.299	S	S	.	.	H	α-helix	trans	-77	-30.2	178.6	-166.3	61	28.9	0	0	113.2	D807 N813	D807-Q809 PolarHBondContact O-N 3.34Å; Q809-N813 PolarHBondContact NE2-OD1 3.08Å; Q809-N813 WeakPolarHBondContact O-CB 3.46Å; Q809-N813 PolarHBondContact O-N 3.39Å; Q809-N813 PolarHBondContact O-ND2 2.82Å; Q809-N813 PolarHBondContact O-OD1 2.81Å
810	T	81.9	Confident	83.1	Confident	32 Å²	32	67.1 Å²	67.1	20%	0.196	30%	0.301	C	S	.	.	H	α-helix	trans	-68.1	-44.9	-170.8	60.5	0	0	0	0	112.7	D807 N813 F814	D807-T810 HydrophobicContact CB-CG2 4.18Å; D807-T810 PolarHBondContact O-N 3.2Å; D807-T810 PolarHBondContact O-OG1 3.41Å; T810-N813 PolarHBondContact O-N 3.4Å; T810-F814 PolarHBondContact O-N 3.32Å; T810-F814 VanDerWaalsContact O-N 3.1Å
811	W	87.3	Confident	83.7	Confident	12 Å²	12	62.1 Å²	62.1	5%	0.045	28%	0.282	C	S	.	.	H	α-helix	trans	-75.6	-32.1	-179.4	71	-98.1	0	0	0	112.4	W802 H808 F814 I815 D1106 E1107 M1110	W802-W811 HydrophobicContact CB-CB 3.78Å; W802-W811 HydrophobicContact CB-CG 4.41Å; W802-W811 HydrophobicContact CE3-CG 4.38Å; W802-W811 HydrophobicContact CG-CB 4.48Å; H808-W811 AromaticContact CD2-CE2 3.87Å; H808-W811 AromaticContact CD2-CZ2 3.76Å; H808-W811 AromaticContact CD2-NE1 3.59Å; H808-W811 AromaticContact CE1-CZ2 3.88Å; H808-W811 AromaticContact CG-NE1 3.72Å; H808-W811 AromaticContact NE2-CE2 3.87Å; H808-W811 AromaticContact NE2-CZ2 3.3Å; H808-W811 VanDerWaalsContact NE2-CZ2 3.3Å; H808-W811 WeakPolarHBondContact NE2-CZ2 2.97Å; H808-W811 AromaticContact NE2-NE1 3.91Å; H808-W811 PolarHBondContact O-NE1 3.49Å; W811-F814 WeakPolarHBondContact O-CB 3.46Å; W811-F814 PolarHBondContact O-N 2.64Å; W811-I815 HydrophobicContact CE3-CD1 3.44Å; W811-I815 VanDerWaalsContact CE3-CD1 3.44Å; W811-I815 HydrophobicContact CE3-CG1 4.33Å; W811-I815 HydrophobicContact CZ3-CD1 3.38Å; W811-I815 WeakPolarHBondContact O-CG1 3.36Å; W811-I815 PolarHBondContact O-N 3.39Å; W811-D1106 HydrophobicContact CH2-CB 4.1Å; W811-D1106 HydrophobicContact CZ3-CB 3.7Å; W811-E1107 HydrophobicContact CH2-CB 3.86Å; W811-E1107 HydrophobicContact CZ2-CB 4.45Å; W811-E1107 HydrophobicContact CZ3-CB 4.42Å; W811-M1110 HydrophobicContact CB-CE 4.34Å; W811-M1110 HydrophobicContact CE3-CG 3.8Å; W811-M1110 HydrophobicContact CZ3-CG 4.34Å
812	R	88.4	Confident	84.2	Confident	116 Å²	116	59.4 Å²	59.4	44%	0.438	27%	0.269	S	S	.	.	H	α-helix	trans	-62.2	-44.7	170.2	-72.8	-176.1	177	167.7	0.8	111.3	H808 F814 I815 E816	H808-R812 PolarHBondContact CD2-NE 2.8Å; H808-R812 PolarHBondContact CD2-NH2 2.89Å; H808-R812 VanDerWaalsContact CD2-NH2 3.26Å; H808-R812 PolarHBondContact NE2-NE 3.46Å; H808-R812 PolarHBondContact NE2-NH2 3.12Å; H808-R812 WeakPolarHBondContact O-CG 3.47Å; R812-F814 VanDerWaalsContact C-N 3.27Å; R812-F814 PolarHBondContact O-N 2.88Å; R812-I815 PolarHBondContact O-N 2.77Å; R812-E816 WeakPolarHBondContact O-CG 3.41Å; R812-E816 PolarHBondContact O-N 3.1Å
813	N	89.1	Confident	84.4	Confident	24 Å²	24	62.5 Å²	62.5	13%	0.128	30%	0.297	C	S	.	.	H	α-helix	trans	-61	-37.7	174.9	-69.5	-9.5	0	0	0	111.6	Q809 T810 E816 L817	Q809-N813 PolarHBondContact NE2-OD1 3.08Å; Q809-N813 WeakPolarHBondContact O-CB 3.46Å; Q809-N813 PolarHBondContact O-N 3.39Å; Q809-N813 PolarHBondContact O-ND2 2.82Å; Q809-N813 PolarHBondContact O-OD1 2.81Å; T810-N813 PolarHBondContact O-N 3.4Å; N813-E816 PolarHBondContact O-N 3.05Å; N813-L817 WeakPolarHBondContact O-CB 3.31Å; N813-L817 PolarHBondContact O-N 3.22Å
814	F	91.9	Very high	84.7	Confident	10 Å²	10	57.9 Å²	57.9	4%	0.044	29%	0.293	C	S	.	.	H	α-helix	trans	-64.5	-44.3	174.7	173.3	-100.8	0	0	0	112.6	V796 W798 P799 T810 W811 R812 E816 L817 V818 V830 M1110	V796-F814 HydrophobicContact CG1-CE2 4.12Å; W798-F814 HydrophobicContact CE3-CE1 4.41Å; W798-F814 HydrophobicContact CE3-CZ 4.15Å; W798-F814 AromaticContact CZ3-CE1 3.96Å; W798-F814 HydrophobicContact CZ3-CE1 3.96Å; W798-F814 HydrophobicContact CZ3-CZ 4.04Å; P799-F814 HydrophobicContact CG-CB 4.08Å; P799-F814 HydrophobicContact CG-CD1 4.11Å; P799-F814 HydrophobicContact CG-CD2 4.35Å; P799-F814 HydrophobicContact CG-CG 3.91Å; T810-F814 PolarHBondContact O-N 3.32Å; T810-F814 VanDerWaalsContact O-N 3.1Å; W811-F814 WeakPolarHBondContact O-CB 3.46Å; W811-F814 PolarHBondContact O-N 2.64Å; R812-F814 VanDerWaalsContact C-N 3.27Å; R812-F814 PolarHBondContact O-N 2.88Å; F814-E816 VanDerWaalsContact C-N 3.35Å; F814-E816 PolarHBondContact O-N 3.01Å; F814-L817 WeakPolarHBondContact O-CB 3.39Å; F814-L817 PolarHBondContact O-N 3.24Å; F814-V818 HydrophobicContact CD1-CG2 4.41Å; F814-V818 HydrophobicContact CE1-CG2 4Å; F814-V818 HydrophobicContact CE2-CG2 4.35Å; F814-V818 HydrophobicContact CZ-CG2 3.96Å; F814-V818 WeakPolarHBondContact O-CG2 3.3Å; F814-V818 PolarHBondContact O-N 3.44Å; F814-V830 HydrophobicContact CE2-CG1 3.77Å; F814-V830 HydrophobicContact CE2-CG2 4.04Å; F814-V830 HydrophobicContact CZ-CB 4.5Å; F814-V830 HydrophobicContact CZ-CG1 3.81Å; F814-V830 HydrophobicContact CZ-CG2 3.99Å; F814-M1110 HydrophobicContact CD1-CE 4.32Å; F814-M1110 HydrophobicContact CD1-SD 3.75Å; F814-M1110 HydrophobicContact CE1-SD 3.95Å
815	I	91.7	Very high	85.1	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.4	-40.3	176.9	-65.3	173.6	0	0	0	111.2	W811 R812 L817 V818 R819 D1106 M1110	W811-I815 HydrophobicContact CE3-CD1 3.44Å; W811-I815 VanDerWaalsContact CE3-CD1 3.44Å; W811-I815 HydrophobicContact CE3-CG1 4.33Å; W811-I815 HydrophobicContact CZ3-CD1 3.38Å; W811-I815 WeakPolarHBondContact O-CG1 3.36Å; W811-I815 PolarHBondContact O-N 3.39Å; R812-I815 PolarHBondContact O-N 2.77Å; I815-L817 VanDerWaalsContact C-N 3.32Å; I815-L817 PolarHBondContact O-N 3.07Å; I815-V818 WeakPolarHBondContact O-CB 3.47Å; I815-V818 PolarHBondContact O-N 3.47Å; I815-R819 WeakPolarHBondContact O-CG 3.49Å; I815-R819 PolarHBondContact O-N 3.4Å; I815-D1106 HydrophobicContact CD1-CB 3.55Å; I815-D1106 WeakPolarHBondContact CD1-O 3.1Å; I815-M1110 HydrophobicContact CD1-CG 3.75Å; I815-M1110 HydrophobicContact CD1-SD 4.39Å; I815-M1110 HydrophobicContact CG1-CG 4.15Å; I815-M1110 HydrophobicContact CG1-SD 4.13Å
816	E	91	Very high	86.5	Confident	22 Å²	22	48.9 Å²	48.9	10%	0.103	26%	0.255	C	S	.	.	H	α-helix	trans	-62.2	-41.1	174.8	-69	-72.3	128	0	0	110.9	R774 R812 N813 F814 V818 R819 E820 R1103	R774-E816 IonicContact CZ-OE2 3.68Å; R774-E816 IonicContact NE-OE2 3.14Å; R774-E816 PolarHBondContact NE-OE2 2.94Å; R774-E816 IonicContact NH2-OE2 3.61Å; R774-E816 PolarHBondContact NH2-OE2 2.96Å; R812-E816 WeakPolarHBondContact O-CG 3.41Å; R812-E816 PolarHBondContact O-N 3.1Å; N813-E816 PolarHBondContact O-N 3.05Å; F814-E816 VanDerWaalsContact C-N 3.35Å; F814-E816 PolarHBondContact O-N 3.01Å; E816-V818 VanDerWaalsContact C-N 3.34Å; E816-V818 PolarHBondContact O-N 3.04Å; E816-R819 WeakPolarHBondContact O-CB 3.34Å; E816-R819 PolarHBondContact O-N 3.47Å; E816-R819 VanDerWaalsContact O-N 3.16Å; E816-R819 IonicContact OE1-CZ 3.72Å; E816-R819 IonicContact OE1-NH1 3.29Å; E816-R819 PolarHBondContact OE1-NH1 3.32Å; E816-E820 WeakPolarHBondContact O-CB 3.28Å; E816-E820 VanDerWaalsContact O-CG 3.27Å; E816-E820 WeakPolarHBondContact O-CG 3.3Å; E816-E820 PolarHBondContact O-N 3.47Å; E816-R1103 IonicContact OE1-CZ 2.88Å; E816-R1103 IonicContact OE1-NE 3.53Å; E816-R1103 IonicContact OE1-NH2 3.06Å; E816-R1103 PolarHBondContact OE1-NH2 3.08Å; E816-R1103 IonicContact OE2-NH2 3.77Å; E816-R1103 PolarHBondContact OE2-NH2 3.41Å
817	L	93.2	Very high	87.9	Confident	12 Å²	12	40 Å²	40	6%	0.063	21%	0.213	C	C	.	.	H	α-helix	trans	-57.1	-44.5	171	174.7	167.3	0	0	0	112	L700 V777 I781 V796 N813 F814 I815 R819 E820 T821 L828	L700-L817 HydrophobicContact CD1-CD1 3.62Å; L700-L817 HydrophobicContact CD1-CG 4.42Å; V777-L817 HydrophobicContact CG1-CB 4.41Å; V777-L817 HydrophobicContact CG1-CD1 3.93Å; V777-L817 HydrophobicContact CG1-CG 4.23Å; I781-L817 HydrophobicContact CD1-CG 4.11Å; V796-L817 HydrophobicContact CB-CD1 4.46Å; V796-L817 HydrophobicContact CG1-CD2 4.16Å; V796-L817 HydrophobicContact CG2-CD1 3.98Å; N813-L817 WeakPolarHBondContact O-CB 3.31Å; N813-L817 PolarHBondContact O-N 3.22Å; F814-L817 WeakPolarHBondContact O-CB 3.39Å; F814-L817 PolarHBondContact O-N 3.24Å; I815-L817 VanDerWaalsContact C-N 3.32Å; I815-L817 PolarHBondContact O-N 3.07Å; L817-R819 VanDerWaalsContact C-N 3.32Å; L817-R819 PolarHBondContact O-N 3.05Å; L817-E820 PolarHBondContact O-N 3.34Å; L817-T821 WeakPolarHBondContact O-CB 3.33Å; L817-T821 PolarHBondContact O-N 3.03Å; L817-T821 PolarHBondContact O-OG1 2.99Å; L817-L828 HydrophobicContact CD2-CD1 3.82Å
818	V	93.4	Very high	89.3	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.7	-43.2	176.9	176.2	0	0	0	0	110.7	F814 I815 E816 T822 L828 M1096 P1099	F814-V818 HydrophobicContact CD1-CG2 4.41Å; F814-V818 HydrophobicContact CE1-CG2 4Å; F814-V818 HydrophobicContact CE2-CG2 4.35Å; F814-V818 HydrophobicContact CZ-CG2 3.96Å; F814-V818 WeakPolarHBondContact O-CG2 3.3Å; F814-V818 PolarHBondContact O-N 3.44Å; I815-V818 WeakPolarHBondContact O-CB 3.47Å; I815-V818 PolarHBondContact O-N 3.47Å; E816-V818 VanDerWaalsContact C-N 3.34Å; E816-V818 PolarHBondContact O-N 3.04Å; V818-T822 WeakPolarHBondContact O-CB 3.2Å; V818-T822 PolarHBondContact O-N 3.44Å; V818-T822 PolarHBondContact O-OG1 3.32Å; V818-L828 HydrophobicContact CB-CD2 4.19Å; V818-L828 HydrophobicContact CG1-CD2 4.07Å; V818-L828 HydrophobicContact CG2-CD2 3.77Å; V818-M1096 HydrophobicContact CG1-CE 3.84Å; V818-M1096 HydrophobicContact CG2-CE 4.12Å; V818-P1099 HydrophobicContact CG1-CG 4.13Å
819	R	92.1	Very high	90.4	Very high	42 Å²	42	32.9 Å²	32.9	16%	0.158	18%	0.178	C	C	.	.	H	α-helix	trans	-64.7	-47.3	177	-73	177.6	171.4	126.3	8.5	112	I815 E816 L817 T822 A823 P1099 P1100 D1106	I815-R819 WeakPolarHBondContact O-CG 3.49Å; I815-R819 PolarHBondContact O-N 3.4Å; E816-R819 WeakPolarHBondContact O-CB 3.34Å; E816-R819 PolarHBondContact O-N 3.47Å; E816-R819 VanDerWaalsContact O-N 3.16Å; E816-R819 IonicContact OE1-CZ 3.72Å; E816-R819 IonicContact OE1-NH1 3.29Å; E816-R819 PolarHBondContact OE1-NH1 3.32Å; L817-R819 VanDerWaalsContact C-N 3.32Å; L817-R819 PolarHBondContact O-N 3.05Å; R819-T822 PolarHBondContact O-N 2.87Å; R819-A823 VanDerWaalsContact O-CB 3.31Å; R819-A823 WeakPolarHBondContact O-CB 3.38Å; R819-A823 PolarHBondContact O-N 2.98Å; R819-P1099 HydrophobicContact CG-CB 4.33Å; R819-P1099 HydrophobicContact CG-CG 4Å; R819-P1100 PolarHBondContact NH2-O 3.34Å; R819-D1106 IonicContact CZ-OD1 3.53Å; R819-D1106 IonicContact CZ-OD2 3.5Å; R819-D1106 IonicContact NH1-OD1 3.97Å; R819-D1106 IonicContact NH1-OD2 3.36Å; R819-D1106 PolarHBondContact NH1-OD2 3.45Å; R819-D1106 VanDerWaalsContact NH2-CG 3.33Å; R819-D1106 IonicContact NH2-OD1 2.74Å; R819-D1106 PolarHBondContact NH2-OD1 3.2Å; R819-D1106 IonicContact NH2-OD2 3.46Å; R819-D1106 PolarHBondContact NH2-OD2 2.96Å
820	E	92.1	Very high	91.1	Very high	30 Å²	30	27.8 Å²	27.8	14%	0.14	15%	0.154	C	C	.	.	H	α-helix	trans	-62.6	-42.9	179.8	-72.4	174.1	164.2	0	0	111.5	S778 I781 E816 L817 T822 A823 G824	S778-E820 VanDerWaalsContact CA-OE2 3.3Å; S778-E820 WeakPolarHBondContact CA-OE2 3.18Å; S778-E820 WeakPolarHBondContact CB-OE1 3.44Å; S778-E820 WeakPolarHBondContact CB-OE2 3.22Å; S778-E820 PolarHBondContact OG-OE1 2.87Å; S778-E820 PolarHBondContact OG-OE2 3.27Å; I781-E820 HydrophobicContact CD1-CB 4.4Å; E816-E820 WeakPolarHBondContact O-CB 3.28Å; E816-E820 VanDerWaalsContact O-CG 3.27Å; E816-E820 WeakPolarHBondContact O-CG 3.3Å; E816-E820 PolarHBondContact O-N 3.47Å; L817-E820 PolarHBondContact O-N 3.34Å; E820-T822 VanDerWaalsContact C-N 3.35Å; E820-T822 PolarHBondContact O-N 2.83Å; E820-A823 PolarHBondContact O-N 2.63Å; E820-G824 PolarHBondContact O-N 3.3Å
821	T	93.1	Very high	91.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.1	-42.6	176.3	-51.8	0	0	0	0	111.3	V794 L817 G824 H825 L826 L828	V794-T821 HydrophobicContact CB-CG2 4Å; V794-T821 HydrophobicContact CG2-CG2 3.79Å; L817-T821 WeakPolarHBondContact O-CB 3.33Å; L817-T821 PolarHBondContact O-N 3.03Å; L817-T821 PolarHBondContact O-OG1 2.99Å; T821-G824 PolarHBondContact O-N 3.34Å; T821-H825 PolarHBondContact O-N 3.33Å; T821-L826 HydrophobicContact CG2-CB 3.75Å; T821-L826 PolarHBondContact O-N 3.24Å; T821-L826 VanDerWaalsContact O-N 3.1Å; T821-L828 HydrophobicContact CG2-CB 3.91Å; T821-L828 HydrophobicContact CG2-CD1 4.12Å
822	T	89.1	Confident	92	Very high	42 Å²	42	26.2 Å²	26.2	26%	0.258	15%	0.145	S	C	.	.	H	α-helix	trans	-67.2	-41	177.3	-54.4	0	0	0	0	111.6	V818 R819 E820 G824 H825 R1127	V818-T822 WeakPolarHBondContact O-CB 3.2Å; V818-T822 PolarHBondContact O-N 3.44Å; V818-T822 PolarHBondContact O-OG1 3.32Å; R819-T822 PolarHBondContact O-N 2.87Å; E820-T822 VanDerWaalsContact C-N 3.35Å; E820-T822 PolarHBondContact O-N 2.83Å; T822-G824 VanDerWaalsContact C-N 3.3Å; T822-G824 PolarHBondContact O-N 3.35Å; T822-H825 PolarHBondContact O-N 3.33Å; T822-H825 VanDerWaalsContact O-N 3.16Å; T822-R1127 PolarHBondContact OG1-NE 3.03Å; T822-R1127 VanDerWaalsContact OG1-NE 3.1Å
823	A	89.8	Confident	92.1	Very high	78 Å²	78	23.3 Å²	23.3	65%	0.645	14%	0.138	S	C	*	.	H	α-helix	trans	-66.1	-33.1	176.5	0	0	0	0	0	112.2	R819 E820 H825	R819-A823 VanDerWaalsContact O-CB 3.31Å; R819-A823 WeakPolarHBondContact O-CB 3.38Å; R819-A823 PolarHBondContact O-N 2.98Å; E820-A823 PolarHBondContact O-N 2.63Å; A823-H825 PolarHBondContact O-N 2.94Å
824	G	88.1	Confident	92.1	Very high	44 Å²	44	22.4 Å²	22.4	45%	0.454	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-0.4	173.3	0	0	0	0	0	114.8	E820 T821 T822 L826	E820-G824 PolarHBondContact O-N 3.3Å; T821-G824 PolarHBondContact O-N 3.34Å; T822-G824 VanDerWaalsContact C-N 3.3Å; T822-G824 PolarHBondContact O-N 3.35Å; G824-L826 PolarHBondContact O-N 3.08Å
825	H	88.1	Confident	91.9	Very high	95 Å²	95	24.5 Å²	24.5	44%	0.44	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	35.2	-172.7	-57.2	-68.3	0	0	0	113.4	T821 T822 A823	T821-H825 PolarHBondContact O-N 3.33Å; T822-H825 PolarHBondContact O-N 3.33Å; T822-H825 VanDerWaalsContact O-N 3.16Å; A823-H825 PolarHBondContact O-N 2.94Å
826	L	92.2	Very high	91.8	Very high	25 Å²	25	29.3 Å²	29.3	13%	0.131	17%	0.173	C	C	.	.			trans	-100.2	149.1	178.2	-57.1	172.8	0	0	0	109.9	I781 V794 T821 G824	I781-L826 HydrophobicContact CG2-CD1 3.64Å; V794-L826 HydrophobicContact CG2-CD1 4.12Å; T821-L826 HydrophobicContact CG2-CB 3.75Å; T821-L826 PolarHBondContact O-N 3.24Å; T821-L826 VanDerWaalsContact O-N 3.1Å; G824-L826 PolarHBondContact O-N 3.08Å
827	A	93.4	Very high	91.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	147.1	169.1	0	0	0	0	0	110.3	W693 N792 T793 V794 M860 R1127	W693-A827 HydrophobicContact CH2-CB 4.2Å; W693-A827 HydrophobicContact CZ2-CB 3.91Å; N792-A827 PolarHBondContact O-N 3.38Å; T793-A827 CarbonylContact C-O 3.57Å; T793-A827 VanDerWaalsContact CA-O 3.23Å; T793-A827 WeakPolarHBondContact CA-O 3.38Å; T793-A827 HydrophobicContact CG2-CB 4Å; V794-A827 PolarHBondContact N-O 3.36Å; A827-M860 HydrophobicContact CB-CE 4.22Å; A827-M860 HydrophobicContact CB-SD 3.75Å; A827-R1127 CarbonylContact C-O 3.57Å; A827-R1127 VanDerWaalsContact CA-O 3.31Å; A827-R1127 WeakPolarHBondContact CA-O 3.28Å
828	L	95.6	Very high	91.9	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	131.1	176.8	-177.8	67.6	0	0	0	110.4	V794 V796 L817 V818 T821 V830 M1096 R1127	V794-L828 HydrophobicContact CB-CD1 4.04Å; V794-L828 HydrophobicContact CG1-CD1 4.16Å; V796-L828 HydrophobicContact CG1-CD1 4.13Å; L817-L828 HydrophobicContact CD2-CD1 3.82Å; V818-L828 HydrophobicContact CB-CD2 4.19Å; V818-L828 HydrophobicContact CG1-CD2 4.07Å; V818-L828 HydrophobicContact CG2-CD2 3.77Å; T821-L828 HydrophobicContact CG2-CB 3.91Å; T821-L828 HydrophobicContact CG2-CD1 4.12Å; L828-V830 HydrophobicContact CD1-CG2 4.27Å; L828-V830 HydrophobicContact CD2-CG2 3.85Å; L828-V830 HydrophobicContact CG-CG2 3.83Å; L828-M1096 HydrophobicContact CD2-CE 4.26Å; L828-M1096 HydrophobicContact CD2-SD 3.96Å; L828-R1127 HydrophobicContact CB-CB 4.25Å; L828-R1127 PolarHBondContact N-O 2.95Å; L828-R1127 PolarHBondContact O-N 3.27Å
829	L	96.2	Very high	91.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	116.8	172.8	-56.5	179.9	0	0	0	108.8	L697 L721 T793 V794 L795 V796 L864 L1125 V1126	L697-L829 HydrophobicContact CD2-CD1 4.23Å; L721-L829 HydrophobicContact CD2-CD1 4.18Å; T793-L829 HydrophobicContact CG2-CD1 3.63Å; T793-L829 HydrophobicContact CG2-CG 3.64Å; V794-L829 PolarHBondContact O-N 2.88Å; L795-L829 WeakPolarHBondContact CA-O 3.39Å; L795-L829 HydrophobicContact CD1-CB 3.68Å; V796-L829 PolarHBondContact N-O 2.69Å; L829-L864 HydrophobicContact CD1-CD2 4.18Å; L829-L864 HydrophobicContact CD2-CD1 3.54Å; L829-L1125 WeakPolarHBondContact CA-O 3.21Å; L829-V1126 HydrophobicContact CD2-CB 4.34Å; L829-V1126 HydrophobicContact CD2-CG1 4.05Å; L829-V1126 HydrophobicContact CD2-CG2 3.94Å
830	V	95.7	Very high	91.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	123.7	177.5	-171.8	0	0	0	0	109.6	V796 W798 F814 L828 M1096 M1124 L1125	V796-V830 HydrophobicContact CG1-CB 4.39Å; V796-V830 HydrophobicContact CG1-CG1 4.28Å; V796-V830 HydrophobicContact CG1-CG2 3.88Å; V796-V830 WeakPolarHBondContact O-CA 3.24Å; W798-V830 HydrophobicContact CE3-CG1 3.98Å; F814-V830 HydrophobicContact CE2-CG1 3.77Å; F814-V830 HydrophobicContact CE2-CG2 4.04Å; F814-V830 HydrophobicContact CZ-CB 4.5Å; F814-V830 HydrophobicContact CZ-CG1 3.81Å; F814-V830 HydrophobicContact CZ-CG2 3.99Å; L828-V830 HydrophobicContact CD1-CG2 4.27Å; L828-V830 HydrophobicContact CD2-CG2 3.85Å; L828-V830 HydrophobicContact CG-CG2 3.83Å; V830-M1096 HydrophobicContact CG2-SD 4.16Å; V830-M1124 CarbonylContact O-C 3.57Å; V830-M1124 WeakPolarHBondContact O-CA 3.24Å; V830-L1125 HydrophobicContact CB-CB 4.14Å; V830-L1125 PolarHBondContact N-O 3.29Å; V830-L1125 PolarHBondContact O-N 2.89Å
831	T	94.9	Very high	91.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	113.7	-177.4	51.1	0	0	0	0	110.4	L714 L717 L795 V796 W798 V834 F837 M1124	L714-T831 HydrophobicContact CD1-CG2 4.43Å; L714-T831 WeakPolarHBondContact CD1-OG1 3.34Å; L717-T831 HydrophobicContact CD2-CG2 3.49Å; L717-T831 VanDerWaalsContact CD2-CG2 3.49Å; L795-T831 HydrophobicContact CD1-CG2 3.83Å; V796-T831 PolarHBondContact O-N 3.33Å; V796-T831 PolarHBondContact O-OG1 3.04Å; V796-T831 VanDerWaalsContact O-OG1 3.14Å; W798-T831 WeakPolarHBondContact CB-O 3.39Å; W798-T831 PolarHBondContact N-O 3.41Å; T831-V834 VanDerWaalsContact O-CG2 3.23Å; T831-V834 WeakPolarHBondContact O-CG2 3.38Å; T831-V834 VanDerWaalsContact OG1-CG2 3.32Å; T831-V834 WeakPolarHBondContact OG1-CG2 3.34Å; T831-F837 HydrophobicContact CG2-CZ 4.5Å; T831-M1124 HydrophobicContact CG2-CG 4.3Å
832	K	93.3	Very high	91	Very high	10 Å²	10	37.7 Å²	37.7	4%	0.043	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	146.2	173.7	-160.3	178.4	-176.6	-174	0	109.3	W798 V834 E1114 T1117 V1123	W798-K832 HydrophobicContact CB-CB 4.18Å; W798-K832 HydrophobicContact CB-CG 4.08Å; W798-K832 HydrophobicContact CD2-CG 4.32Å; W798-K832 HydrophobicContact CG-CB 4.4Å; W798-K832 HydrophobicContact CG-CG 3.85Å; K832-V834 PolarHBondContact O-N 3.44Å; K832-E1114 VanDerWaalsContact CE-OE1 3.27Å; K832-E1114 WeakPolarHBondContact CE-OE1 3.22Å; K832-E1114 IonicContact NZ-OE1 3.98Å; K832-E1114 PolarHBondContact NZ-OE1 3.44Å; K832-T1117 WeakPolarHBondContact CD-OG1 3.48Å; K832-T1117 PolarHBondContact NZ-O 2.97Å; K832-T1117 PolarHBondContact NZ-OG1 3.34Å; K832-V1123 HydrophobicContact CB-CB 4.08Å; K832-V1123 PolarHBondContact N-O 2.03Å
833	N	91	Very high	90.9	Very high	55 Å²	55	43.1 Å²	43.1	29%	0.294	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	43.9	179.6	-58.5	-24.7	0	0	0	114	S835 M836 L1120 D1121	N833-S835 PolarHBondContact O-N 2.89Å; N833-M836 HydrophobicContact CB-CB 4.44Å; N833-M836 HydrophobicContact CB-CG 4.07Å; N833-M836 WeakPolarHBondContact O-CB 3.15Å; N833-M836 PolarHBondContact O-N 2.76Å; N833-L1120 PolarHBondContact ND2-O 2.93Å; N833-D1121 WeakPolarHBondContact CB-O 3.3Å; N833-D1121 PolarHBondContact ND2-O 3.48Å
834	V	89.3	Confident	90.9	Very high	5 Å²	5	41 Å²	41	3%	0.03	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-48.9	-36	-176.9	-174	0	0	0	0	113.8	H711 Q713 L714 T831 K832 M836 F837	H711-V834 HydrophobicContact CB-CG1 4.02Å; Q713-V834 HydrophobicContact CB-CG1 4.04Å; Q713-V834 VanDerWaalsContact CB-O 3.28Å; Q713-V834 WeakPolarHBondContact CB-O 3.47Å; L714-V834 HydrophobicContact CB-CG1 4.11Å; L714-V834 HydrophobicContact CD1-CG1 4.47Å; T831-V834 VanDerWaalsContact O-CG2 3.23Å; T831-V834 WeakPolarHBondContact O-CG2 3.38Å; T831-V834 VanDerWaalsContact OG1-CG2 3.32Å; T831-V834 WeakPolarHBondContact OG1-CG2 3.34Å; K832-V834 PolarHBondContact O-N 3.44Å; V834-M836 PolarHBondContact O-N 3.29Å; V834-F837 WeakPolarHBondContact O-CB 3.42Å; V834-F837 PolarHBondContact O-N 3.24Å; V834-F837 VanDerWaalsContact O-N 3.15Å
835	S	87.1	Confident	90.8	Very high	54 Å²	54	43.2 Å²	43.2	38%	0.378	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-64.3	-20.3	177.6	61.9	0	0	0	0	114.9	R800 N833	R800-S835 PolarHBondContact NH2-OG 3.36Å; N833-S835 PolarHBondContact O-N 2.89Å
836	M	90.1	Very high	90.8	Very high	102 Å²	102	45.6 Å²	45.6	50%	0.502	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-84.1	-13.3	178.5	-60.1	-68.2	-106.1	0	0	112.1	N833 V834 R1122	N833-M836 HydrophobicContact CB-CB 4.44Å; N833-M836 HydrophobicContact CB-CG 4.07Å; N833-M836 WeakPolarHBondContact O-CB 3.15Å; N833-M836 PolarHBondContact O-N 2.76Å; V834-M836 PolarHBondContact O-N 3.29Å; M836-R1122 HydrophobicContact CB-CG 4.21Å; M836-R1122 PolarHBondContact O-NE 3.47Å; M836-R1122 PolarHBondContact O-NH2 3.15Å
837	F	92.6	Very high	90.8	Very high	6 Å²	6	45.6 Å²	45.6	3%	0.026	25%	0.246	C	C	.	.	S	Bend	trans	-68.2	143.5	180	-84	-107.1	0	0	0	111.3	Q713 L717 T831 V834 L1091 R1122	Q713-F837 HydrophobicContact CB-CB 4.32Å; L717-F837 HydrophobicContact CD1-CD1 3.87Å; L717-F837 HydrophobicContact CD1-CE1 3.87Å; L717-F837 HydrophobicContact CD2-CD1 4.06Å; L717-F837 HydrophobicContact CD2-CE1 3.81Å; L717-F837 HydrophobicContact CD2-CZ 4.44Å; L717-F837 HydrophobicContact CG-CD1 4.37Å; L717-F837 HydrophobicContact CG-CE1 4.42Å; T831-F837 HydrophobicContact CG2-CZ 4.5Å; V834-F837 WeakPolarHBondContact O-CB 3.42Å; V834-F837 PolarHBondContact O-N 3.24Å; V834-F837 VanDerWaalsContact O-N 3.15Å; F837-L1091 HydrophobicContact CE1-CD1 3.74Å; F837-L1091 HydrophobicContact CZ-CD1 3.65Å; F837-R1122 HydrophobicContact CD2-CG 4.39Å; F837-R1122 HydrophobicContact CE2-CB 3.99Å; F837-R1122 HydrophobicContact CE2-CG 4.35Å; F837-R1122 HydrophobicContact CZ-CB 4.14Å
838	P	91.8	Very high	90.8	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.006	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-69	140	-175.6	30.5	-37.3	0	0	0	111.4	Q720 E842 F844 V873 W874	Q720-P838 PolarHBondContact NE2-O 3.05Å; P838-E842 WeakPolarHBondContact CA-OE2 3.32Å; P838-E842 HydrophobicContact CB-CB 4.06Å; P838-F844 HydrophobicContact CB-CE2 4.21Å; P838-F844 HydrophobicContact CB-CZ 3.95Å; P838-F844 HydrophobicContact CG-CE2 3.73Å; P838-F844 HydrophobicContact CG-CZ 3.82Å; P838-V873 HydrophobicContact CB-CG1 3.96Å; P838-V873 HydrophobicContact CG-CG1 3.57Å; P838-W874 HydrophobicContact CG-CH2 4.43Å; P838-W874 HydrophobicContact CG-CZ2 3.84Å
839	G	89.1	Confident	90.7	Very high	16 Å²	16	46.3 Å²	46.3	17%	0.165	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-66.2	165.3	164.8	0	0	0	0	0	111.6	E842	G839-E842 PolarHBondContact N-OE2 2.71Å; G839-E842 PolarHBondContact O-N 2.68Å; G839-E842 VanDerWaalsContact O-N 3.14Å
840	N	88.7	Confident	90.7	Very high	31 Å²	31	46.3 Å²	46.3	17%	0.166	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-34.6	174.1	-78.7	-43.3	0	0	0	116.6	E759	E759-N840 PolarHBondContact O-ND2 3.36Å; E759-N840 PolarHBondContact OE2-ND2 2.74Å
841	P	86.6	Confident	90.7	Very high	111 Å²	111	46.3 Å²	46.3	72%	0.721	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-21.6	177.1	29.1	-33.5	0	0	0	113.5	R843	P841-R843 PolarHBondContact O-N 3.07Å
842	E	87.7	Confident	90.7	Very high	116 Å²	116	46.3 Å²	46.3	54%	0.542	25%	0.252	S	S	.	.			trans	-80.2	119.6	-175	-65.3	175.6	179.4	0	0	110.3	P838 G839 V873	P838-E842 WeakPolarHBondContact CA-OE2 3.32Å; P838-E842 HydrophobicContact CB-CB 4.06Å; G839-E842 PolarHBondContact N-OE2 2.71Å; G839-E842 PolarHBondContact O-N 2.68Å; G839-E842 VanDerWaalsContact O-N 3.14Å; E842-V873 WeakPolarHBondContact O-CG1 3.41Å; E842-V873 WeakPolarHBondContact O-CG2 3.22Å
843	R	88.5	Confident	90.6	Very high	156 Å²	156	46 Å²	46	59%	0.589	25%	0.25	S	C	*	.			trans	-117.7	133	-178.1	-59.3	-178.1	-170.1	168.3	6	109.9	P841	P841-R843 PolarHBondContact O-N 3.07Å
844	F	90	Very high	90.4	Very high	33 Å²	33	43.3 Å²	43.3	15%	0.145	24%	0.236	C	C	.	.			trans	-73.5	131.6	171.3	-60.5	-59.6	0	0	0	110.2	P838 V873 W874 K1090	P838-F844 HydrophobicContact CB-CE2 4.21Å; P838-F844 HydrophobicContact CB-CZ 3.95Å; P838-F844 HydrophobicContact CG-CE2 3.73Å; P838-F844 HydrophobicContact CG-CZ 3.82Å; F844-V873 HydrophobicContact CD2-CG1 4.17Å; F844-V873 HydrophobicContact CE2-CG1 4.13Å; F844-V873 PolarHBondContact N-O 2.71Å; F844-W874 HydrophobicContact CD2-CE3 4.07Å; F844-W874 HydrophobicContact CD2-CZ3 4.17Å; F844-W874 HydrophobicContact CE2-CD2 4.34Å; F844-W874 AromaticContact CE2-CE3 3.93Å; F844-W874 HydrophobicContact CE2-CE3 3.93Å; F844-W874 AromaticContact CE2-CH2 3.78Å; F844-W874 HydrophobicContact CE2-CH2 3.78Å; F844-W874 HydrophobicContact CE2-CZ2 4.18Å; F844-W874 AromaticContact CE2-CZ3 3.64Å; F844-W874 HydrophobicContact CE2-CZ3 3.64Å; F844-K1090 HydrophobicContact CD1-CD 4.29Å; F844-K1090 HydrophobicContact CE1-CD 4.28Å
845	S	84.8	Confident	89.8	Confident	91 Å²	91	43.3 Å²	43.3	64%	0.636	24%	0.236	S	C	*	.	S	Bend	trans	-71.2	-39.6	170.7	46.3	0	0	0	0	111.1	K876	S845-K876 WeakPolarHBondContact O-CD 3.26Å
846	E	89	Confident	89.6	Confident	146 Å²	146	42.3 Å²	42.3	68%	0.682	23%	0.225	S	C	*	.	S	Bend	trans	-157.5	165.3	-179.4	64.3	-171.3	168.3	0	0	110.4
847	G	90.4	Very high	89.2	Confident	24 Å²	24	38.9 Å²	38.9	25%	0.247	21%	0.209	C	C	.	.			trans	152.7	176.4	176	0	0	0	0	0	112.6	C877 K878	G847-C877 CarbonylContact O-C 3.55Å; G847-C877 VanDerWaalsContact O-CA 3.22Å; G847-C877 WeakPolarHBondContact O-CA 3.22Å; G847-K878 PolarHBondContact O-N 3.23Å
848	S	93.5	Very high	88.6	Confident	16 Å²	16	38.6 Å²	38.6	11%	0.112	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	148.6	173.1	65.8	0	0	0	0	112	D850 K878 R880 K1090	S848-D850 VanDerWaalsContact CB-OD1 3.26Å; S848-D850 WeakPolarHBondContact CB-OD1 3.46Å; S848-D850 PolarHBondContact OG-OD1 2.99Å; S848-K878 CarbonylContact C-O 3.5Å; S848-K878 VanDerWaalsContact CA-O 3.25Å; S848-K878 WeakPolarHBondContact CA-O 3.44Å; S848-R880 PolarHBondContact OG-NH2 3.07Å; S848-K1090 PolarHBondContact O-N 2.83Å
849	I	95.5	Very high	88.2	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	116.3	161.8	-60.1	167.5	0	0	0	105.8	P865 R869 W874 C877 K878 M879 R880 L1091 L1093	I849-P865 HydrophobicContact CG2-CB 3.93Å; I849-P865 HydrophobicContact CG2-CG 4.27Å; I849-R869 HydrophobicContact CD1-CG 3.82Å; I849-W874 HydrophobicContact CD1-CB 4.31Å; I849-W874 HydrophobicContact CD1-CD2 4.48Å; I849-W874 HydrophobicContact CD1-CE3 3.93Å; I849-W874 HydrophobicContact CG1-CE3 4.03Å; I849-W874 HydrophobicContact CG1-CZ3 4.39Å; I849-C877 HydrophobicContact CD1-CB 4.01Å; I849-C877 HydrophobicContact CG1-CB 3.9Å; I849-K878 PolarHBondContact N-O 3.25Å; I849-M879 WeakPolarHBondContact O-CA 3.13Å; I849-R880 PolarHBondContact O-N 3.49Å; I849-L1091 WeakPolarHBondContact CA-O 3.49Å; I849-L1091 HydrophobicContact CG1-CB 4.47Å; I849-L1091 HydrophobicContact CG2-CB 4.4Å; I849-L1091 HydrophobicContact CG2-CD2 4.31Å; I849-L1093 HydrophobicContact CG2-CD1 3.58Å
850	D	96	Very high	88.1	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127.9	-175	-73.5	13.9	0	0	0	109.4	S848 R880 F882 S1086 A1089 L1091 V1092 L1093	S848-D850 VanDerWaalsContact CB-OD1 3.26Å; S848-D850 WeakPolarHBondContact CB-OD1 3.46Å; S848-D850 PolarHBondContact OG-OD1 2.99Å; D850-R880 CarbonylContact C-O 3.5Å; D850-R880 WeakPolarHBondContact CA-O 3.35Å; D850-R880 VanDerWaalsContact CG-NH2 3.29Å; D850-R880 IonicContact OD1-CZ 3.06Å; D850-R880 IonicContact OD1-NE 3.15Å; D850-R880 PolarHBondContact OD1-NE 3.11Å; D850-R880 IonicContact OD1-NH2 3.95Å; D850-R880 PolarHBondContact OD1-NH2 2.69Å; D850-R880 VanDerWaalsContact OD1-NH2 3.14Å; D850-R880 IonicContact OD2-CZ 3.81Å; D850-R880 IonicContact OD2-NE 2.7Å; D850-R880 IonicContact OD2-NH2 3.27Å; D850-R880 PolarHBondContact OD2-NH2 3.03Å; D850-F882 HydrophobicContact CB-CD2 4.43Å; D850-F882 HydrophobicContact CB-CE2 3.88Å; D850-S1086 WeakPolarHBondContact OD2-CA 3.5Å; D850-S1086 WeakPolarHBondContact OD2-CB 3.28Å; D850-S1086 PolarHBondContact OD2-OG 2.03Å; D850-A1089 HydrophobicContact CB-CB 4.04Å; D850-A1089 VanDerWaalsContact CG-CB 3.5Å; D850-A1089 WeakPolarHBondContact OD2-CB 3.15Å; D850-L1091 PolarHBondContact N-O 2.9Å; D850-V1092 CarbonylContact O-C 3.55Å; D850-V1092 WeakPolarHBondContact O-CA 3.06Å; D850-L1093 PolarHBondContact O-N 3.27Å
851	V	95.2	Very high	88.2	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	112.4	-177.5	-174.9	0	0	0	0	108.4	L861 P865 M879 R880 I881 F882	V851-L861 HydrophobicContact CG1-CB 3.83Å; V851-L861 HydrophobicContact CG1-CD2 3.96Å; V851-L861 HydrophobicContact CG1-CG 4.48Å; V851-L861 WeakPolarHBondContact CG1-O 3.44Å; V851-P865 HydrophobicContact CG2-CB 4.28Å; V851-P865 HydrophobicContact CG2-CG 3.49Å; V851-P865 VanDerWaalsContact CG2-CG 3.49Å; V851-M879 HydrophobicContact CG2-CG 4.43Å; V851-R880 PolarHBondContact N-O 3.33Å; V851-I881 HydrophobicContact CB-CG1 4.35Å; V851-I881 CarbonylContact O-C 3.46Å; V851-I881 WeakPolarHBondContact O-CA 3.49Å; V851-F882 PolarHBondContact O-N 3.38Å
852	W	94.6	Very high	88.2	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	101.4	174.5	-75.3	85.6	0	0	0	109.5	F882 V884 V914 V1081 I1082 K1085 S1086 L1093 L1094 N1095	W852-F882 WeakPolarHBondContact CA-O 3.41Å; W852-F882 HydrophobicContact CD2-CB 3.75Å; W852-F882 HydrophobicContact CD2-CD2 4.25Å; W852-F882 HydrophobicContact CD2-CG 4.21Å; W852-F882 AromaticContact CE2-CD2 3.75Å; W852-F882 AromaticContact CE2-CG 3.87Å; W852-F882 HydrophobicContact CE3-CB 3.71Å; W852-F882 HydrophobicContact CE3-CG 4.49Å; W852-F882 HydrophobicContact CG-CB 4.37Å; W852-F882 HydrophobicContact CG-CD2 4.5Å; W852-F882 HydrophobicContact CH2-CB 4.07Å; W852-F882 HydrophobicContact CH2-CD1 4.39Å; W852-F882 HydrophobicContact CH2-CG 4.17Å; W852-F882 HydrophobicContact CZ2-CB 4.1Å; W852-F882 HydrophobicContact CZ2-CD1 4.24Å; W852-F882 HydrophobicContact CZ2-CD2 4.05Å; W852-F882 AromaticContact CZ2-CG 3.86Å; W852-F882 HydrophobicContact CZ2-CG 3.86Å; W852-F882 HydrophobicContact CZ3-CB 3.88Å; W852-F882 HydrophobicContact CZ3-CG 4.48Å; W852-F882 AromaticContact NE1-CD2 3.71Å; W852-V884 HydrophobicContact CE3-CG2 4.43Å; W852-V914 HydrophobicContact CH2-CG2 4.3Å; W852-V914 HydrophobicContact CZ3-CG2 4.18Å; W852-V1081 HydrophobicContact CH2-CG1 3.8Å; W852-V1081 HydrophobicContact CZ3-CG1 4.13Å; W852-I1082 HydrophobicContact CD2-CD1 4.49Å; W852-I1082 HydrophobicContact CD2-CG1 3.73Å; W852-I1082 HydrophobicContact CE3-CG1 3.91Å; W852-I1082 HydrophobicContact CG-CG1 4.27Å; W852-I1082 HydrophobicContact CH2-CG1 4.17Å; W852-I1082 HydrophobicContact CZ2-CB 4.23Å; W852-I1082 HydrophobicContact CZ2-CG1 4.01Å; W852-I1082 HydrophobicContact CZ2-CG2 4.49Å; W852-I1082 HydrophobicContact CZ3-CG1 4.12Å; W852-K1085 HydrophobicContact CH2-CD 4.11Å; W852-K1085 HydrophobicContact CZ2-CB 4.09Å; W852-K1085 HydrophobicContact CZ2-CD 4.26Å; W852-S1086 PolarHBondContact NE1-OG 2.92Å; W852-L1093 PolarHBondContact N-O 2.61Å; W852-L1094 HydrophobicContact CB-CB 3.86Å; W852-N1095 PolarHBondContact O-OD1 3.1Å
853	W	90.9	Very high	88.3	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.008	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	103.3	176.3	176.1	17.6	0	0	0	110.6	V855 H856 L861 F882 T883 V884 L898 I953 T957	W853-V855 PolarHBondContact NE1-O 3.46Å; W853-H856 PolarHBondContact NE1-O 3.17Å; W853-L861 HydrophobicContact CB-CD1 4.28Å; W853-L861 HydrophobicContact CG-CD1 4.38Å; W853-F882 PolarHBondContact N-O 2.91Å; W853-T883 WeakPolarHBondContact O-CA 3.4Å; W853-V884 PolarHBondContact O-N 3.28Å; W853-V884 VanDerWaalsContact O-N 3.09Å; W853-L898 HydrophobicContact CH2-CD2 4.15Å; W853-L898 HydrophobicContact CZ3-CD1 4.19Å; W853-L898 HydrophobicContact CZ3-CD2 3.51Å; W853-I953 HydrophobicContact CH2-CD1 4.26Å; W853-I953 HydrophobicContact CH2-CG1 3.94Å; W853-I953 HydrophobicContact CH2-CG2 4.26Å; W853-I953 HydrophobicContact CZ3-CD1 3.86Å; W853-I953 HydrophobicContact CZ3-CG1 4.01Å; W853-T957 HydrophobicContact CH2-CG2 3.13Å; W853-T957 VanDerWaalsContact CH2-OG1 3.27Å; W853-T957 WeakPolarHBondContact CH2-OG1 3.3Å; W853-T957 HydrophobicContact CZ2-CG2 3.84Å; W853-T957 VanDerWaalsContact CZ2-OG1 3.23Å; W853-T957 WeakPolarHBondContact CZ2-OG1 3.02Å; W853-T957 HydrophobicContact CZ3-CG2 3.69Å
854	I	86.1	Confident	88.5	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.109	C	C	.	.			trans	-105.3	93.1	-179.7	-48.6	160.5	0	0	0	108.8	H856 V884 Y924 L1078 N1095	I854-H856 PolarHBondContact O-N 2.93Å; I854-V884 HydrophobicContact CG1-CG2 4.01Å; I854-Y924 HydrophobicContact CB-CD1 4.26Å; I854-Y924 HydrophobicContact CB-CE1 4.29Å; I854-Y924 HydrophobicContact CB-CG 4.37Å; I854-Y924 HydrophobicContact CD1-CE1 4.28Å; I854-Y924 HydrophobicContact CD1-CE2 3.99Å; I854-Y924 HydrophobicContact CG2-CD1 3.97Å; I854-Y924 HydrophobicContact CG2-CD2 3.64Å; I854-Y924 HydrophobicContact CG2-CE1 4.32Å; I854-Y924 HydrophobicContact CG2-CE2 4.03Å; I854-Y924 HydrophobicContact CG2-CG 3.59Å; I854-L1078 HydrophobicContact CD1-CD2 3.91Å; I854-N1095 WeakPolarHBondContact CA-OD1 3.47Å; I854-N1095 WeakPolarHBondContact CB-OD1 3.25Å; I854-N1095 PolarHBondContact N-OD1 2.98Å; I854-N1095 PolarHBondContact O-ND2 3.41Å
855	V	78.7	Confident	88.6	Confident	5 Å²	5	17.2 Å²	17.2	3%	0.03	10%	0.102	C	C	.	.	S	Bend	trans	66.2	-56	176	-168.9	0	0	0	0	115.2	W853 T925 K928 Q954 R961	W853-V855 PolarHBondContact NE1-O 3.46Å; V855-T925 HydrophobicContact CG2-CG2 4.41Å; V855-K928 HydrophobicContact CG1-CB 4.46Å; V855-K928 HydrophobicContact CG1-CD 3.77Å; V855-K928 HydrophobicContact CG1-CG 3.84Å; V855-Q954 PolarHBondContact O-NE2 3.5Å; V855-R961 PolarHBondContact O-NH1 3.19Å
856	H	81.2	Confident	88.8	Confident	32 Å²	32	14.4 Å²	14.4	15%	0.148	8%	0.078	C	C	.	.	S	Bend	trans	-110.3	172.3	-168	-60.1	-55.9	0	0	0	113.9	W853 I854 G858 Y924	W853-H856 PolarHBondContact NE1-O 3.17Å; I854-H856 PolarHBondContact O-N 2.93Å; H856-G858 PolarHBondContact O-N 3.12Å; H856-G858 VanDerWaalsContact O-N 3.12Å; H856-Y924 PolarHBondContact NE2-O 2.94Å; H856-Y924 VanDerWaalsContact NE2-O 3.14Å
857	D	82.2	Confident	88.9	Confident	30 Å²	30	8.8 Å²	8.8	16%	0.16	5%	0.053	C	C	.	.			trans	58.3	22.4	171.2	-59.6	-31.6	0	0	0	116.6	G859 M860 L861 G1128	D857-G859 VanDerWaalsContact C-N 3.29Å; D857-G859 PolarHBondContact O-N 2.66Å; D857-G859 VanDerWaalsContact O-N 3.16Å; D857-M860 HydrophobicContact CB-CE 4.49Å; D857-M860 PolarHBondContact O-N 3.1Å; D857-M860 VanDerWaalsContact O-N 3.13Å; D857-L861 HydrophobicContact CB-CD1 4.28Å; D857-L861 PolarHBondContact O-N 3.37Å; D857-L861 VanDerWaalsContact O-N 3.1Å; D857-G1128 WeakPolarHBondContact OD1-CA 3.05Å; D857-G1128 PolarHBondContact OD1-N 3.31Å; D857-G1128 PolarHBondContact OD2-N 3.33Å
858	G	80.5	Confident	89	Confident	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-55	-40.6	-172.6	0	0	0	0	0	113.7	H856 M860 M862	H856-G858 PolarHBondContact O-N 3.12Å; H856-G858 VanDerWaalsContact O-N 3.12Å; G858-M860 PolarHBondContact O-N 3.48Å; G858-M862 WeakPolarHBondContact O-CB 3.15Å; G858-M862 WeakPolarHBondContact O-CG 3.06Å; G858-M862 PolarHBondContact O-N 3.43Å; G858-M862 VanDerWaalsContact O-N 3.14Å
859	G	83.1	Confident	88.9	Confident	7 Å²	7	9.4 Å²	9.4	7%	0.072	5%	0.045	C	C	.	.	H	α-helix	trans	-61.4	-44.9	179.9	0	0	0	0	0	113.3	D857 M862 L863 I1134	D857-G859 VanDerWaalsContact C-N 3.29Å; D857-G859 PolarHBondContact O-N 2.66Å; D857-G859 VanDerWaalsContact O-N 3.16Å; G859-M862 PolarHBondContact O-N 2.93Å; G859-L863 WeakPolarHBondContact O-CB 3.45Å; G859-L863 PolarHBondContact O-N 3.47Å; G859-I1134 VanDerWaalsContact C-CD1 3.43Å; G859-I1134 WeakPolarHBondContact O-CD1 3.4Å
860	M	87	Confident	88.6	Confident	4 Å²	4	15.2 Å²	15.2	2%	0.02	7%	0.072	C	C	.	.	H	α-helix	trans	-73.4	-40.8	-177.9	179.9	169.7	51.5	0	0	111.8	W693 A827 D857 G858 M862 L863 L864 V1126 R1127 G1128	W693-M860 HydrophobicContact CH2-CG 4.44Å; W693-M860 HydrophobicContact CH2-SD 3.82Å; W693-M860 HydrophobicContact CZ3-CG 4.29Å; W693-M860 HydrophobicContact CZ3-SD 4.24Å; A827-M860 HydrophobicContact CB-CE 4.22Å; A827-M860 HydrophobicContact CB-SD 3.75Å; D857-M860 HydrophobicContact CB-CE 4.49Å; D857-M860 PolarHBondContact O-N 3.1Å; D857-M860 VanDerWaalsContact O-N 3.13Å; G858-M860 PolarHBondContact O-N 3.48Å; M860-M862 PolarHBondContact O-N 3.31Å; M860-L863 PolarHBondContact O-N 2.92Å; M860-L863 VanDerWaalsContact O-N 3.15Å; M860-L864 HydrophobicContact CG-CD1 3.8Å; M860-L864 HydrophobicContact CG-CG 4.06Å; M860-L864 WeakPolarHBondContact O-CG 3.35Å; M860-L864 PolarHBondContact O-N 3.38Å; M860-L864 HydrophobicContact SD-CD1 4.5Å; M860-V1126 HydrophobicContact CE-CG1 3.24Å; M860-V1126 HydrophobicContact CG-CG1 3.98Å; M860-V1126 HydrophobicContact SD-CG1 3.94Å; M860-R1127 WeakPolarHBondContact CE-O 3.25Å; M860-G1128 VanDerWaalsContact CE-CA 3.49Å; M860-G1128 VanDerWaalsContact CE-N 3.35Å
861	L	90.2	Very high	88.3	Confident	1 Å²	1	16.7 Å²	16.7	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-57.1	-30.7	173.7	-82.9	157.9	0	0	0	112.6	V851 W853 D857 P865 L1093 N1095 V1126	V851-L861 HydrophobicContact CG1-CB 3.83Å; V851-L861 HydrophobicContact CG1-CD2 3.96Å; V851-L861 HydrophobicContact CG1-CG 4.48Å; V851-L861 WeakPolarHBondContact CG1-O 3.44Å; W853-L861 HydrophobicContact CB-CD1 4.28Å; W853-L861 HydrophobicContact CG-CD1 4.38Å; D857-L861 HydrophobicContact CB-CD1 4.28Å; D857-L861 PolarHBondContact O-N 3.37Å; D857-L861 VanDerWaalsContact O-N 3.1Å; L861-P865 WeakPolarHBondContact O-CD 3.13Å; L861-P865 WeakPolarHBondContact O-CG 3.04Å; L861-L1093 HydrophobicContact CD2-CB 4.15Å; L861-N1095 HydrophobicContact CD1-CB 4.12Å; L861-V1126 HydrophobicContact CD2-CB 4.33Å; L861-V1126 HydrophobicContact CD2-CG2 4.42Å
862	M	88.1	Confident	88.2	Confident	3 Å²	3	23 Å²	23	2%	0.015	11%	0.106	C	C	.	.	H	α-helix	trans	-82.9	-38.1	175.8	-69.3	-61.4	-52.4	0	0	113	G858 G859 M860 F866 M879 I881 L902 I907 I953 Y1137	G858-M862 WeakPolarHBondContact O-CB 3.15Å; G858-M862 WeakPolarHBondContact O-CG 3.06Å; G858-M862 PolarHBondContact O-N 3.43Å; G858-M862 VanDerWaalsContact O-N 3.14Å; G859-M862 PolarHBondContact O-N 2.93Å; M860-M862 PolarHBondContact O-N 3.31Å; M862-F866 WeakPolarHBondContact O-CB 3.39Å; M862-F866 PolarHBondContact O-N 2.91Å; M862-M879 HydrophobicContact CE-CE 3.78Å; M862-I881 HydrophobicContact CE-CD1 3.42Å; M862-I881 VanDerWaalsContact CE-CD1 3.42Å; M862-I881 HydrophobicContact CE-CG1 4.27Å; M862-I881 HydrophobicContact SD-CD1 3.46Å; M862-I881 WeakPolarHBondContact SD-CD1 3.47Å; M862-I881 HydrophobicContact SD-CG1 3.78Å; M862-I881 HydrophobicContact SD-CG2 4.21Å; M862-L902 HydrophobicContact CE-CD2 3.2Å; M862-L902 HydrophobicContact CE-CG 4.46Å; M862-I907 HydrophobicContact CE-CG2 4.36Å; M862-I953 HydrophobicContact CG-CD1 3.79Å; M862-I953 HydrophobicContact SD-CD1 4.49Å; M862-Y1137 HydrophobicContact CB-CE1 3.94Å
863	L	89.2	Confident	88.1	Confident	0 Å²	0	23 Å²	23	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-69.4	-42	-178.6	-178.4	65.3	0	0	0	112.5	W693 G859 M860 F866 L867 I1134 Y1137	W693-L863 HydrophobicContact CE3-CD2 4Å; W693-L863 HydrophobicContact CZ3-CD2 4.1Å; G859-L863 WeakPolarHBondContact O-CB 3.45Å; G859-L863 PolarHBondContact O-N 3.47Å; M860-L863 PolarHBondContact O-N 2.92Å; M860-L863 VanDerWaalsContact O-N 3.15Å; L863-F866 WeakPolarHBondContact O-CB 3.49Å; L863-F866 PolarHBondContact O-N 2.92Å; L863-L867 HydrophobicContact CD1-CD1 4.21Å; L863-L867 HydrophobicContact CD1-CD2 4.43Å; L863-L867 HydrophobicContact CD1-CG 4.09Å; L863-L867 HydrophobicContact CD2-CD1 4.46Å; L863-L867 HydrophobicContact CG-CD1 3.95Å; L863-L867 HydrophobicContact CG-CG 4.23Å; L863-L867 WeakPolarHBondContact O-CG 3.42Å; L863-L867 PolarHBondContact O-N 3.2Å; L863-I1134 HydrophobicContact CB-CD1 4.05Å; L863-I1134 HydrophobicContact CD2-CD1 3.76Å; L863-I1134 HydrophobicContact CD2-CG1 4.37Å; L863-Y1137 HydrophobicContact CB-CD1 4.48Å; L863-Y1137 HydrophobicContact CB-CE1 4.26Å; L863-Y1137 HydrophobicContact CD1-CD1 4.19Å
864	L	92.2	Very high	88.2	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.3	-50.7	-174.5	-64.6	166.7	0	0	0	113.2	L721 L829 M860 F866 L867 L868 L1093 M1124 V1126	L721-L864 HydrophobicContact CD1-CD2 4.01Å; L721-L864 HydrophobicContact CD2-CD2 4.16Å; L829-L864 HydrophobicContact CD1-CD2 4.18Å; L829-L864 HydrophobicContact CD2-CD1 3.54Å; M860-L864 HydrophobicContact CG-CD1 3.8Å; M860-L864 HydrophobicContact CG-CG 4.06Å; M860-L864 WeakPolarHBondContact O-CG 3.35Å; M860-L864 PolarHBondContact O-N 3.38Å; M860-L864 HydrophobicContact SD-CD1 4.5Å; L864-F866 VanDerWaalsContact C-N 3.29Å; L864-F866 PolarHBondContact O-N 3.28Å; L864-L867 PolarHBondContact O-N 3.17Å; L864-L868 WeakPolarHBondContact O-CD1 3.32Å; L864-L868 PolarHBondContact O-N 3.11Å; L864-L1093 HydrophobicContact CB-CD2 3.95Å; L864-L1093 HydrophobicContact CD1-CD2 4.4Å; L864-M1124 HydrophobicContact CB-CE 4.11Å; L864-M1124 HydrophobicContact CD1-CE 4Å; L864-V1126 HydrophobicContact CD1-CG1 3.95Å; L864-V1126 HydrophobicContact CD1-CG2 3.76Å
865	P	92.5	Very high	88.5	Confident	0 Å²	0	30 Å²	30	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.3	-36.9	174.7	-22.4	34.4	0	0	0	112.6	I849 V851 L861 L868 R869 M879 L1093	I849-P865 HydrophobicContact CG2-CB 3.93Å; I849-P865 HydrophobicContact CG2-CG 4.27Å; V851-P865 HydrophobicContact CG2-CB 4.28Å; V851-P865 HydrophobicContact CG2-CG 3.49Å; V851-P865 VanDerWaalsContact CG2-CG 3.49Å; L861-P865 WeakPolarHBondContact O-CD 3.13Å; L861-P865 WeakPolarHBondContact O-CG 3.04Å; P865-L868 PolarHBondContact O-N 3.41Å; P865-R869 WeakPolarHBondContact O-CB 3.34Å; P865-R869 WeakPolarHBondContact O-CG 3.33Å; P865-R869 PolarHBondContact O-N 2.89Å; P865-M879 HydrophobicContact CB-CG 4.38Å; P865-M879 HydrophobicContact CB-SD 3.55Å; P865-M879 VanDerWaalsContact CB-SD 3.55Å; P865-M879 HydrophobicContact CG-SD 4.34Å; P865-L1093 HydrophobicContact CG-CD1 4.11Å; P865-L1093 HydrophobicContact CG-CD2 3.59Å; P865-L1093 HydrophobicContact CG-CG 4.46Å
866	F	89.8	Confident	89.1	Confident	32 Å²	32	36.1 Å²	36.1	14%	0.14	16%	0.159	C	C	.	.	H	α-helix	trans	-59.2	-49.8	176.7	177.3	-94.5	0	0	0	110.5	M862 L863 L864 R869 H870 I907	M862-F866 WeakPolarHBondContact O-CB 3.39Å; M862-F866 PolarHBondContact O-N 2.91Å; L863-F866 WeakPolarHBondContact O-CB 3.49Å; L863-F866 PolarHBondContact O-N 2.92Å; L864-F866 VanDerWaalsContact C-N 3.29Å; L864-F866 PolarHBondContact O-N 3.28Å; F866-R869 PolarHBondContact O-N 3.46Å; F866-H870 AromaticContact CE1-NE2 3.55Å; F866-H870 AromaticContact CE2-NE2 3.96Å; F866-H870 AromaticContact CZ-NE2 3.41Å; F866-H870 WeakPolarHBondContact CZ-NE2 3.46Å; F866-H870 PolarHBondContact O-CD2 3.41Å; F866-I907 HydrophobicContact CD2-CD1 4.21Å; F866-I907 HydrophobicContact CD2-CG1 3.95Å; F866-I907 HydrophobicContact CE2-CG1 4.08Å
867	L	91	Very high	89.7	Confident	29 Å²	29	34.7 Å²	34.7	15%	0.152	15%	0.153	C	C	.	.	H	α-helix	trans	-61.8	-43.8	175.7	-67.1	176.7	0	0	0	112.2	P695 L721 L863 L864 R869 H870	P695-L867 HydrophobicContact CG-CD1 3.91Å; L721-L867 HydrophobicContact CD1-CB 4.09Å; L863-L867 HydrophobicContact CD1-CD1 4.21Å; L863-L867 HydrophobicContact CD1-CD2 4.43Å; L863-L867 HydrophobicContact CD1-CG 4.09Å; L863-L867 HydrophobicContact CD2-CD1 4.46Å; L863-L867 HydrophobicContact CG-CD1 3.95Å; L863-L867 HydrophobicContact CG-CG 4.23Å; L863-L867 WeakPolarHBondContact O-CG 3.42Å; L863-L867 PolarHBondContact O-N 3.2Å; L864-L867 PolarHBondContact O-N 3.17Å; L867-R869 PolarHBondContact O-N 2.88Å; L867-H870 PolarHBondContact O-N 2.82Å
868	L	92.2	Very high	90.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-58.8	-44.3	177.4	-86.2	151.1	0	0	0	112.3	L717 Q720 L721 L864 P865 H870 H871 W874 L1091 M1124	L717-L868 HydrophobicContact CD1-CD2 4.01Å; Q720-L868 HydrophobicContact CB-CD2 4.38Å; L721-L868 HydrophobicContact CD1-CD1 4.24Å; L721-L868 HydrophobicContact CD1-CG 3.96Å; L864-L868 WeakPolarHBondContact O-CD1 3.32Å; L864-L868 PolarHBondContact O-N 3.11Å; P865-L868 PolarHBondContact O-N 3.41Å; L868-H870 PolarHBondContact O-N 3.25Å; L868-H871 VanDerWaalsContact O-CB 3.31Å; L868-H871 WeakPolarHBondContact O-CB 3.41Å; L868-H871 PolarHBondContact O-N 3.21Å; L868-W874 HydrophobicContact CB-CG 4.37Å; L868-W874 HydrophobicContact CD2-CD2 4.45Å; L868-W874 HydrophobicContact CD2-CG 4.28Å; L868-W874 WeakPolarHBondContact O-CB 3.19Å; L868-L1091 HydrophobicContact CD1-CD2 4.06Å; L868-M1124 HydrophobicContact CD1-CE 4.32Å
869	R	91.5	Very high	90.7	Very high	53 Å²	53	39.8 Å²	39.8	20%	0.2	17%	0.173	C	C	.	.	H	α-helix	trans	-62.6	-21.9	-179.5	-75.9	178.5	76.6	-161.5	-0.6	113.7	I849 P865 F866 L867 H871 R875 C877 T908	I849-R869 HydrophobicContact CD1-CG 3.82Å; P865-R869 WeakPolarHBondContact O-CB 3.34Å; P865-R869 WeakPolarHBondContact O-CG 3.33Å; P865-R869 PolarHBondContact O-N 2.89Å; F866-R869 PolarHBondContact O-N 3.46Å; L867-R869 PolarHBondContact O-N 2.88Å; R869-H871 PolarHBondContact O-N 3.16Å; R869-R875 VanDerWaalsContact O-CA 3.26Å; R869-R875 WeakPolarHBondContact O-CA 3.35Å; R869-C877 PolarHBondContact NE-O 2.99Å; R869-C877 PolarHBondContact NH2-O 3.45Å; R869-T908 PolarHBondContact NH1-O 3.26Å
870	H	88.4	Confident	91.3	Very high	121 Å²	121	42.6 Å²	42.6	56%	0.56	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-21.1	172.5	-78.4	-76.6	0	0	0	113	F866 L867 L868	F866-H870 AromaticContact CE1-NE2 3.55Å; F866-H870 AromaticContact CE2-NE2 3.96Å; F866-H870 AromaticContact CZ-NE2 3.41Å; F866-H870 WeakPolarHBondContact CZ-NE2 3.46Å; F866-H870 PolarHBondContact O-CD2 3.41Å; L867-H870 PolarHBondContact O-N 2.82Å; L868-H870 PolarHBondContact O-N 3.25Å
871	H	91	Very high	91.6	Very high	32 Å²	32	42.6 Å²	42.6	15%	0.148	18%	0.182	C	C	.	.	S	Bend	trans	-78.1	149.1	178	-165.1	-99.4	0	0	0	112.6	Q720 L868 R869 V873 W874 R875	Q720-H871 HydrophobicContact CB-CB 4.41Å; Q720-H871 WeakPolarHBondContact O-CB 3.11Å; L868-H871 VanDerWaalsContact O-CB 3.31Å; L868-H871 WeakPolarHBondContact O-CB 3.41Å; L868-H871 PolarHBondContact O-N 3.21Å; R869-H871 PolarHBondContact O-N 3.16Å; H871-V873 WeakPolarHBondContact ND1-CG2 3.25Å; H871-V873 PolarHBondContact ND1-N 3.1Å; H871-V873 PolarHBondContact O-N 3.49Å; H871-W874 PolarHBondContact O-N 2.78Å; H871-R875 WeakPolarHBondContact O-CB 3.2Å; H871-R875 PolarHBondContact O-N 2.9Å
872	K	91.7	Very high	91.8	Very high	131 Å²	131	42.9 Å²	42.9	57%	0.57	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-26.6	-175.8	-67.2	179.8	-178.9	176.8	0	114
873	V	93	Very high	91.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-45.3	-179	173.7	0	0	0	0	111.4	Q720 P838 E842 F844 H871	Q720-V873 HydrophobicContact CG-CG2 4.37Å; P838-V873 HydrophobicContact CB-CG1 3.96Å; P838-V873 HydrophobicContact CG-CG1 3.57Å; E842-V873 WeakPolarHBondContact O-CG1 3.41Å; E842-V873 WeakPolarHBondContact O-CG2 3.22Å; F844-V873 HydrophobicContact CD2-CG1 4.17Å; F844-V873 HydrophobicContact CE2-CG1 4.13Å; F844-V873 PolarHBondContact N-O 2.71Å; H871-V873 WeakPolarHBondContact ND1-CG2 3.25Å; H871-V873 PolarHBondContact ND1-N 3.1Å; H871-V873 PolarHBondContact O-N 3.49Å
874	W	93.6	Very high	91.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-3.7	-171.1	-56.5	97.5	0	0	0	114	P838 F844 I849 L868 H871 K876 C877 K1090 L1091	P838-W874 HydrophobicContact CG-CH2 4.43Å; P838-W874 HydrophobicContact CG-CZ2 3.84Å; F844-W874 HydrophobicContact CD2-CE3 4.07Å; F844-W874 HydrophobicContact CD2-CZ3 4.17Å; F844-W874 HydrophobicContact CE2-CD2 4.34Å; F844-W874 AromaticContact CE2-CE3 3.93Å; F844-W874 HydrophobicContact CE2-CE3 3.93Å; F844-W874 AromaticContact CE2-CH2 3.78Å; F844-W874 HydrophobicContact CE2-CH2 3.78Å; F844-W874 HydrophobicContact CE2-CZ2 4.18Å; F844-W874 AromaticContact CE2-CZ3 3.64Å; F844-W874 HydrophobicContact CE2-CZ3 3.64Å; I849-W874 HydrophobicContact CD1-CB 4.31Å; I849-W874 HydrophobicContact CD1-CD2 4.48Å; I849-W874 HydrophobicContact CD1-CE3 3.93Å; I849-W874 HydrophobicContact CG1-CE3 4.03Å; I849-W874 HydrophobicContact CG1-CZ3 4.39Å; L868-W874 HydrophobicContact CB-CG 4.37Å; L868-W874 HydrophobicContact CD2-CD2 4.45Å; L868-W874 HydrophobicContact CD2-CG 4.28Å; L868-W874 WeakPolarHBondContact O-CB 3.19Å; H871-W874 PolarHBondContact O-N 2.78Å; W874-K876 PolarHBondContact O-N 2.8Å; W874-K876 VanDerWaalsContact O-N 3.11Å; W874-C877 VanDerWaalsContact O-CB 3.3Å; W874-C877 WeakPolarHBondContact O-CB 3.24Å; W874-C877 PolarHBondContact O-N 3.29Å; W874-K1090 HydrophobicContact CZ3-CB 4.2Å; W874-L1091 HydrophobicContact CH2-CB 3.84Å; W874-L1091 HydrophobicContact CH2-CD2 4.06Å; W874-L1091 HydrophobicContact CH2-CG 4.4Å; W874-L1091 HydrophobicContact CZ2-CD2 4.49Å; W874-L1091 HydrophobicContact CZ3-CB 3.67Å; W874-L1091 HydrophobicContact CZ3-CD2 4.22Å
875	R	91.4	Very high	91.5	Very high	151 Å²	151	42.8 Å²	42.8	57%	0.57	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-33.9	-175	-175.1	175.5	62.2	174.1	2.8	115	R869 H871	R869-R875 VanDerWaalsContact O-CA 3.26Å; R869-R875 WeakPolarHBondContact O-CA 3.35Å; H871-R875 WeakPolarHBondContact O-CB 3.2Å; H871-R875 PolarHBondContact O-N 2.9Å
876	K	92.1	Very high	91	Very high	133 Å²	133	44.1 Å²	44.1	58%	0.578	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-4	-180	-66.6	-167.4	178.4	-174.4	0	113.5	S845 W874	S845-K876 WeakPolarHBondContact O-CD 3.26Å; W874-K876 PolarHBondContact O-N 2.8Å; W874-K876 VanDerWaalsContact O-N 3.11Å
877	C	92.3	Very high	90.6	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.014	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-77.3	137.9	178.8	-57.9	0	0	0	0	110.7	G847 I849 R869 W874	G847-C877 CarbonylContact O-C 3.55Å; G847-C877 VanDerWaalsContact O-CA 3.22Å; G847-C877 WeakPolarHBondContact O-CA 3.22Å; I849-C877 HydrophobicContact CD1-CB 4.01Å; I849-C877 HydrophobicContact CG1-CB 3.9Å; R869-C877 PolarHBondContact NE-O 2.99Å; R869-C877 PolarHBondContact NH2-O 3.45Å; W874-C877 VanDerWaalsContact O-CB 3.3Å; W874-C877 WeakPolarHBondContact O-CB 3.24Å; W874-C877 PolarHBondContact O-N 3.29Å
878	K	92.8	Very high	90.1	Very high	134 Å²	134	53.3 Å²	53.3	58%	0.583	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	147.8	171.2	-64.7	-176.6	179.5	-178.1	0	109.8	G847 S848 I849	G847-K878 PolarHBondContact O-N 3.23Å; S848-K878 CarbonylContact C-O 3.5Å; S848-K878 VanDerWaalsContact CA-O 3.25Å; S848-K878 WeakPolarHBondContact CA-O 3.44Å; I849-K878 PolarHBondContact N-O 3.25Å
879	M	92.5	Very high	89.5	Confident	3 Å²	3	54 Å²	54	2%	0.015	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	126.5	177.7	-168.3	164.6	81.3	0	0	110	I849 V851 M862 P865 I881 I907 A909 E910	I849-M879 WeakPolarHBondContact O-CA 3.13Å; V851-M879 HydrophobicContact CG2-CG 4.43Å; M862-M879 HydrophobicContact CE-CE 3.78Å; P865-M879 HydrophobicContact CB-CG 4.38Å; P865-M879 HydrophobicContact CB-SD 3.55Å; P865-M879 VanDerWaalsContact CB-SD 3.55Å; P865-M879 HydrophobicContact CG-SD 4.34Å; M879-I881 HydrophobicContact CE-CD1 4.19Å; M879-I907 HydrophobicContact CE-CG2 3.13Å; M879-A909 HydrophobicContact CB-CB 4Å; M879-A909 HydrophobicContact CE-CB 3.46Å; M879-A909 VanDerWaalsContact CE-CB 3.46Å; M879-A909 HydrophobicContact CG-CB 4.13Å; M879-A909 VanDerWaalsContact O-CA 3.26Å; M879-A909 WeakPolarHBondContact O-CA 3.36Å; M879-E910 PolarHBondContact O-N 3.26Å
880	R	94.8	Very high	89.2	Confident	66 Å²	66	54.5 Å²	54.5	25%	0.249	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	130.5	176.1	-56.7	-169.8	-62.7	174.6	3.5	109	S848 I849 D850 V851 F882 E910 K1085	S848-R880 PolarHBondContact OG-NH2 3.07Å; I849-R880 PolarHBondContact O-N 3.49Å; D850-R880 CarbonylContact C-O 3.5Å; D850-R880 WeakPolarHBondContact CA-O 3.35Å; D850-R880 VanDerWaalsContact CG-NH2 3.29Å; D850-R880 IonicContact OD1-CZ 3.06Å; D850-R880 IonicContact OD1-NE 3.15Å; D850-R880 PolarHBondContact OD1-NE 3.11Å; D850-R880 IonicContact OD1-NH2 3.95Å; D850-R880 PolarHBondContact OD1-NH2 2.69Å; D850-R880 VanDerWaalsContact OD1-NH2 3.14Å; D850-R880 IonicContact OD2-CZ 3.81Å; D850-R880 IonicContact OD2-NE 2.7Å; D850-R880 IonicContact OD2-NH2 3.27Å; D850-R880 PolarHBondContact OD2-NH2 3.03Å; V851-R880 PolarHBondContact N-O 3.33Å; R880-F882 HydrophobicContact CB-CE2 3.85Å; R880-F882 HydrophobicContact CB-CZ 4Å; R880-E910 CarbonylContact C-O 3.6Å; R880-E910 HydrophobicContact CG-CB 4.49Å; R880-K1085 PolarHBondContact NH2-O 3.28Å
881	I	93.1	Very high	89.1	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	120.2	-176.5	-57.1	153	0	0	0	108.1	V851 M862 M879 L902 A909 E910 V911 E912	V851-I881 HydrophobicContact CB-CG1 4.35Å; V851-I881 CarbonylContact O-C 3.46Å; V851-I881 WeakPolarHBondContact O-CA 3.49Å; M862-I881 HydrophobicContact CE-CD1 3.42Å; M862-I881 VanDerWaalsContact CE-CD1 3.42Å; M862-I881 HydrophobicContact CE-CG1 4.27Å; M862-I881 HydrophobicContact SD-CD1 3.46Å; M862-I881 WeakPolarHBondContact SD-CD1 3.47Å; M862-I881 HydrophobicContact SD-CG1 3.78Å; M862-I881 HydrophobicContact SD-CG2 4.21Å; M879-I881 HydrophobicContact CE-CD1 4.19Å; I881-L902 HydrophobicContact CD1-CD1 3.53Å; I881-L902 HydrophobicContact CD1-CD2 4.3Å; I881-A909 HydrophobicContact CD1-CB 3.49Å; I881-A909 VanDerWaalsContact CD1-CB 3.49Å; I881-A909 HydrophobicContact CG1-CB 4.2Å; I881-E910 PolarHBondContact N-O 3.47Å; I881-V911 HydrophobicContact CD1-CG2 4.26Å; I881-V911 WeakPolarHBondContact O-CA 3.27Å; I881-E912 PolarHBondContact O-N 3.35Å
882	F	94	Very high	88.8	Confident	6 Å²	6	54.7 Å²	54.7	3%	0.026	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	113	175.2	-54.5	-83.6	0	0	0	107.5	D850 V851 W852 W853 R880 E912 K1085	D850-F882 HydrophobicContact CB-CD2 4.43Å; D850-F882 HydrophobicContact CB-CE2 3.88Å; V851-F882 PolarHBondContact O-N 3.38Å; W852-F882 WeakPolarHBondContact CA-O 3.41Å; W852-F882 HydrophobicContact CD2-CB 3.75Å; W852-F882 HydrophobicContact CD2-CD2 4.25Å; W852-F882 HydrophobicContact CD2-CG 4.21Å; W852-F882 AromaticContact CE2-CD2 3.75Å; W852-F882 AromaticContact CE2-CG 3.87Å; W852-F882 HydrophobicContact CE3-CB 3.71Å; W852-F882 HydrophobicContact CE3-CG 4.49Å; W852-F882 HydrophobicContact CG-CB 4.37Å; W852-F882 HydrophobicContact CG-CD2 4.5Å; W852-F882 HydrophobicContact CH2-CB 4.07Å; W852-F882 HydrophobicContact CH2-CD1 4.39Å; W852-F882 HydrophobicContact CH2-CG 4.17Å; W852-F882 HydrophobicContact CZ2-CB 4.1Å; W852-F882 HydrophobicContact CZ2-CD1 4.24Å; W852-F882 HydrophobicContact CZ2-CD2 4.05Å; W852-F882 AromaticContact CZ2-CG 3.86Å; W852-F882 HydrophobicContact CZ2-CG 3.86Å; W852-F882 HydrophobicContact CZ3-CB 3.88Å; W852-F882 HydrophobicContact CZ3-CG 4.48Å; W852-F882 AromaticContact NE1-CD2 3.71Å; W853-F882 PolarHBondContact N-O 2.91Å; R880-F882 HydrophobicContact CB-CE2 3.85Å; R880-F882 HydrophobicContact CB-CZ 4Å; F882-E912 CarbonylContact C-O 3.59Å; F882-E912 VanDerWaalsContact CA-O 3.32Å; F882-E912 WeakPolarHBondContact CA-O 3.44Å; F882-E912 HydrophobicContact CD1-CB 3.95Å; F882-E912 HydrophobicContact CE1-CB 4.26Å; F882-E912 WeakPolarHBondContact CE1-OE2 3.31Å; F882-K1085 HydrophobicContact CD1-CD 3.98Å; F882-K1085 HydrophobicContact CE1-CB 4.33Å; F882-K1085 HydrophobicContact CE1-CD 3.78Å; F882-K1085 HydrophobicContact CZ-CB 4.41Å
883	T	90.8	Very high	88.5	Confident	0 Å²	0	52 Å²	52	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	135.7	173.9	-177.9	0	0	0	0	109.7	W853 M894 L898 E912 V913 V914	W853-T883 WeakPolarHBondContact O-CA 3.4Å; T883-M894 HydrophobicContact CG2-SD 3.99Å; T883-L898 HydrophobicContact CG2-CD1 3.72Å; T883-E912 PolarHBondContact N-O 3.1Å; T883-V913 HydrophobicContact CG2-CB 4.06Å; T883-V913 HydrophobicContact CG2-CG1 4.11Å; T883-V913 HydrophobicContact CG2-CG2 3.58Å; T883-V913 CarbonylContact O-C 3.51Å; T883-V913 WeakPolarHBondContact O-CA 3.46Å; T883-V914 PolarHBondContact O-N 3.38Å
884	V	87.7	Confident	88	Confident	2 Å²	2	52 Å²	52	1%	0.012	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	123.6	178.1	-172.6	0	0	0	0	109.9	W852 W853 I854 V914 M916 I921 R961	W852-V884 HydrophobicContact CE3-CG2 4.43Å; W853-V884 PolarHBondContact O-N 3.28Å; W853-V884 VanDerWaalsContact O-N 3.09Å; I854-V884 HydrophobicContact CG1-CG2 4.01Å; V884-V914 WeakPolarHBondContact CA-O 3.39Å; V884-M916 HydrophobicContact CG1-CB 3.98Å; V884-M916 HydrophobicContact CG1-CG 3.92Å; V884-M916 HydrophobicContact CG1-SD 3.94Å; V884-I921 HydrophobicContact CG1-CG2 3.86Å; V884-R961 PolarHBondContact O-NH2 2.95Å
885	A	84.8	Confident	87.8	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	144.8	177.9	0	0	0	0	0	110.3	D889 M894 V913 V914 E915 M916	A885-D889 HydrophobicContact CB-CB 4.17Å; A885-M894 HydrophobicContact CB-CE 4.03Å; A885-M894 HydrophobicContact CB-SD 4.21Å; A885-V913 HydrophobicContact CB-CG1 3.57Å; A885-V914 PolarHBondContact N-O 3.07Å; A885-E915 WeakPolarHBondContact O-CA 3.37Å; A885-M916 PolarHBondContact O-N 3.04Å
886	Q	83	Confident	87.7	Confident	28 Å²	28	56 Å²	56	13%	0.131	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	156.8	169.2	-71.3	175.6	-62.5	0	0	109.4	D888 D889 I921	Q886-D888 PolarHBondContact O-N 3.2Å; Q886-D888 VanDerWaalsContact O-N 3.13Å; Q886-D889 PolarHBondContact N-OD2 2.63Å; Q886-D889 WeakPolarHBondContact O-CB 3.39Å; Q886-D889 PolarHBondContact O-N 3.12Å; Q886-I921 HydrophobicContact CG-CD1 3.58Å
887	M	80.2	Confident	87.4	Confident	125 Å²	125	51.4 Å²	51.4	62%	0.616	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.3	176.2	-67.1	-174.3	175	0	0	113	H917	M887-H917 HydrophobicContact CE-CB 4.39Å
888	D	81.3	Confident	87.1	Confident	128 Å²	128	51.5 Å²	51.5	68%	0.684	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-7.1	177	-59.6	-28.9	0	0	0	113.7	Q886 I964	Q886-D888 PolarHBondContact O-N 3.2Å; Q886-D888 VanDerWaalsContact O-N 3.13Å; D888-I964 WeakPolarHBondContact O-CD1 3.33Å
889	D	79.7	Confident	86.9	Confident	16 Å²	16	48.6 Å²	48.6	9%	0.086	24%	0.241	C	C	.	.	S	Bend	trans	-86.6	149.6	179	-70.4	-34.9	0	0	0	111.1	A885 Q886 S891 M894 R961	A885-D889 HydrophobicContact CB-CB 4.17Å; Q886-D889 PolarHBondContact N-OD2 2.63Å; Q886-D889 WeakPolarHBondContact O-CB 3.39Å; Q886-D889 PolarHBondContact O-N 3.12Å; D889-S891 PolarHBondContact O-N 3.06Å; D889-M894 HydrophobicContact CB-CE 4.03Å; D889-R961 IonicContact OD2-NE 3.64Å
890	N	85.1	Confident	86.6	Confident	63 Å²	63	51.5 Å²	51.5	34%	0.337	26%	0.259	S	S	.	.			trans	-79.3	87.9	172.2	-172.1	-20.8	0	0	0	110.8	I892 Q893 M894 I964	N890-I892 VanDerWaalsContact C-N 3.3Å; N890-I892 PolarHBondContact O-N 3.43Å; N890-I892 PolarHBondContact OD1-N 2.84Å; N890-Q893 HydrophobicContact CB-CB 4.01Å; N890-Q893 WeakPolarHBondContact ND2-CB 3.36Å; N890-Q893 PolarHBondContact O-N 3.16Å; N890-Q893 WeakPolarHBondContact OD1-CB 3.33Å; N890-Q893 PolarHBondContact OD1-N 3.06Å; N890-M894 WeakPolarHBondContact O-CB 3.39Å; N890-M894 PolarHBondContact O-N 2.93Å; N890-I964 HydrophobicContact CB-CD1 4.42Å
891	S	85.6	Confident	86	Confident	23 Å²	23	48.9 Å²	48.9	16%	0.161	25%	0.249	C	C	.	.	H	α-helix	trans	-59.1	-36.8	-177.9	60.9	0	0	0	0	113.4	D889 K895 E915	D889-S891 PolarHBondContact O-N 3.06Å; S891-K895 WeakPolarHBondContact O-CB 3.34Å; S891-K895 PolarHBondContact O-N 3.08Å; S891-E915 WeakPolarHBondContact CB-OE1 3.49Å; S891-E915 PolarHBondContact OG-OE1 3.49Å
892	I	86.4	Confident	85.6	Confident	134 Å²	134	49 Å²	49	69%	0.687	25%	0.25	S	C	*	.	H	α-helix	trans	-66	-48.1	179	-59	173.9	0	0	0	110.7	N890 K895 K896	N890-I892 VanDerWaalsContact C-N 3.3Å; N890-I892 PolarHBondContact O-N 3.43Å; N890-I892 PolarHBondContact OD1-N 2.84Å; I892-K895 PolarHBondContact O-N 3.45Å; I892-K896 PolarHBondContact O-N 3.42Å; I892-K896 VanDerWaalsContact O-N 3.09Å
893	Q	85	Confident	85.1	Confident	73 Å²	73	57.5 Å²	57.5	34%	0.341	28%	0.283	S	S	.	.	H	α-helix	trans	-64.8	-44.1	178.7	-176.2	61.2	29.9	0	0	110.7	N890 K895 K896 D897	N890-Q893 HydrophobicContact CB-CB 4.01Å; N890-Q893 WeakPolarHBondContact ND2-CB 3.36Å; N890-Q893 PolarHBondContact O-N 3.16Å; N890-Q893 WeakPolarHBondContact OD1-CB 3.33Å; N890-Q893 PolarHBondContact OD1-N 3.06Å; Q893-K895 VanDerWaalsContact C-N 3.34Å; Q893-K895 PolarHBondContact O-N 2.86Å; Q893-K896 WeakPolarHBondContact O-CB 3.42Å; Q893-K896 PolarHBondContact O-N 3.47Å; Q893-K896 VanDerWaalsContact O-N 3.13Å; Q893-D897 WeakPolarHBondContact CG-OD2 3.42Å; Q893-D897 VanDerWaalsContact NE2-CG 3.28Å; Q893-D897 PolarHBondContact NE2-OD1 3.18Å; Q893-D897 PolarHBondContact NE2-OD2 3.44Å; Q893-D897 VanDerWaalsContact NE2-OD2 3.11Å; Q893-D897 WeakPolarHBondContact O-CB 3.43Å; Q893-D897 VanDerWaalsContact O-CG 3.23Å; Q893-D897 PolarHBondContact O-N 3.38Å
894	M	83	Confident	84.6	Confident	0 Å²	0	64 Å²	64	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-58.2	-44.1	176.6	-170.2	-176.1	-58.3	0	0	112	T883 A885 D889 N890 K896 D897 L898 V913 R961	T883-M894 HydrophobicContact CG2-SD 3.99Å; A885-M894 HydrophobicContact CB-CE 4.03Å; A885-M894 HydrophobicContact CB-SD 4.21Å; D889-M894 HydrophobicContact CB-CE 4.03Å; N890-M894 WeakPolarHBondContact O-CB 3.39Å; N890-M894 PolarHBondContact O-N 2.93Å; M894-K896 VanDerWaalsContact C-N 3.35Å; M894-K896 PolarHBondContact O-N 2.89Å; M894-D897 PolarHBondContact O-N 3.21Å; M894-L898 HydrophobicContact CG-CD1 4.16Å; M894-L898 WeakPolarHBondContact O-CB 3.29Å; M894-L898 VanDerWaalsContact O-CG 3.27Å; M894-L898 WeakPolarHBondContact O-CG 3.42Å; M894-L898 PolarHBondContact O-N 3.17Å; M894-V913 HydrophobicContact SD-CG1 4.5Å; M894-R961 HydrophobicContact CE-CG 3.81Å
895	K	89.1	Confident	84	Confident	102 Å²	102	65.2 Å²	65.2	44%	0.443	32%	0.319	S	S	.	.	H	α-helix	trans	-60	-44.9	175.5	-171.6	174	179.6	173	0	111.8	S891 I892 Q893 T899 V911 V913	S891-K895 WeakPolarHBondContact O-CB 3.34Å; S891-K895 PolarHBondContact O-N 3.08Å; I892-K895 PolarHBondContact O-N 3.45Å; Q893-K895 VanDerWaalsContact C-N 3.34Å; Q893-K895 PolarHBondContact O-N 2.86Å; K895-T899 WeakPolarHBondContact O-CB 3.39Å; K895-T899 PolarHBondContact O-N 3.21Å; K895-T899 PolarHBondContact O-OG1 2.94Å; K895-V911 WeakPolarHBondContact CE-O 3.38Å; K895-V913 HydrophobicContact CB-CG2 3.64Å; K895-V913 HydrophobicContact CG-CG2 4.24Å
896	K	89.4	Confident	83.9	Confident	133 Å²	133	76 Å²	76	58%	0.578	36%	0.36	S	S	*	.	H	α-helix	trans	-64.3	-49.3	-180	-173.1	-178.6	177.8	-175.8	0	111.1	I892 Q893 M894 L898 T899 T900	I892-K896 PolarHBondContact O-N 3.42Å; I892-K896 VanDerWaalsContact O-N 3.09Å; Q893-K896 WeakPolarHBondContact O-CB 3.42Å; Q893-K896 PolarHBondContact O-N 3.47Å; Q893-K896 VanDerWaalsContact O-N 3.13Å; M894-K896 VanDerWaalsContact C-N 3.35Å; M894-K896 PolarHBondContact O-N 2.89Å; K896-L898 VanDerWaalsContact C-N 3.35Å; K896-L898 PolarHBondContact O-N 2.97Å; K896-T899 PolarHBondContact O-N 3.46Å; K896-T900 WeakPolarHBondContact O-CB 3.43Å; K896-T900 PolarHBondContact O-N 3.32Å; K896-T900 PolarHBondContact O-OG1 3.41Å
897	D	85.4	Confident	83.9	Confident	38 Å²	38	75.1 Å²	75.1	20%	0.203	36%	0.356	C	S	.	.	H	α-helix	trans	-60.2	-44.8	-179	-67.9	-20.7	0	0	0	111.3	Q893 M894 T900 F901 I956 S960	Q893-D897 WeakPolarHBondContact CG-OD2 3.42Å; Q893-D897 VanDerWaalsContact NE2-CG 3.28Å; Q893-D897 PolarHBondContact NE2-OD1 3.18Å; Q893-D897 PolarHBondContact NE2-OD2 3.44Å; Q893-D897 VanDerWaalsContact NE2-OD2 3.11Å; Q893-D897 WeakPolarHBondContact O-CB 3.43Å; Q893-D897 VanDerWaalsContact O-CG 3.23Å; Q893-D897 PolarHBondContact O-N 3.38Å; M894-D897 PolarHBondContact O-N 3.21Å; D897-T900 PolarHBondContact O-N 2.93Å; D897-F901 VanDerWaalsContact O-CB 3.24Å; D897-F901 WeakPolarHBondContact O-CB 3.35Å; D897-F901 PolarHBondContact O-N 3.4Å; D897-I956 HydrophobicContact CB-CG2 3.88Å; D897-S960 PolarHBondContact OD2-OG 2.98Å
898	L	86.1	Confident	84.2	Confident	4 Å²	4	74 Å²	74	2%	0.021	36%	0.357	C	S	.	.	H	α-helix	trans	-64.9	-40.4	176	-71.4	176.5	0	0	0	112.9	W853 T883 M894 K896 F901 L902 V911 I953 T957	W853-L898 HydrophobicContact CH2-CD2 4.15Å; W853-L898 HydrophobicContact CZ3-CD1 4.19Å; W853-L898 HydrophobicContact CZ3-CD2 3.51Å; T883-L898 HydrophobicContact CG2-CD1 3.72Å; M894-L898 HydrophobicContact CG-CD1 4.16Å; M894-L898 WeakPolarHBondContact O-CB 3.29Å; M894-L898 VanDerWaalsContact O-CG 3.27Å; M894-L898 WeakPolarHBondContact O-CG 3.42Å; M894-L898 PolarHBondContact O-N 3.17Å; K896-L898 VanDerWaalsContact C-N 3.35Å; K896-L898 PolarHBondContact O-N 2.97Å; L898-F901 PolarHBondContact O-N 3.45Å; L898-L902 VanDerWaalsContact O-CG 3.24Å; L898-L902 WeakPolarHBondContact O-CG 3.07Å; L898-L902 PolarHBondContact O-N 3.23Å; L898-V911 HydrophobicContact CB-CG1 4.02Å; L898-V911 HydrophobicContact CB-CG2 4.45Å; L898-V911 HydrophobicContact CD1-CG1 4.08Å; L898-I953 HydrophobicContact CD2-CD1 4.03Å; L898-I953 HydrophobicContact CD2-CG1 3.99Å; L898-T957 HydrophobicContact CD1-CG2 4.45Å; L898-T957 HydrophobicContact CD2-CG2 3.7Å; L898-T957 HydrophobicContact CG-CG2 4.24Å
899	T	88.9	Confident	84.6	Confident	72 Å²	72	69.3 Å²	69.3	44%	0.442	34%	0.335	S	S	.	.	H	α-helix	trans	-64.4	-45.6	177.6	-56.9	0	0	0	0	110.9	K895 K896 F901 L902 Y903	K895-T899 WeakPolarHBondContact O-CB 3.39Å; K895-T899 PolarHBondContact O-N 3.21Å; K895-T899 PolarHBondContact O-OG1 2.94Å; K896-T899 PolarHBondContact O-N 3.46Å; T899-F901 VanDerWaalsContact C-N 3.33Å; T899-F901 PolarHBondContact O-N 2.87Å; T899-L902 PolarHBondContact O-N 3.4Å; T899-Y903 WeakPolarHBondContact O-CB 3.19Å; T899-Y903 PolarHBondContact O-N 3.02Å
900	T	85.3	Confident	85.2	Confident	64 Å²	64	73.9 Å²	73.9	39%	0.393	36%	0.356	S	S	.	.	H	α-helix	trans	-61.8	-42.5	175.8	-65.1	0	0	0	0	111.3	K896 D897 Y903 H904	K896-T900 WeakPolarHBondContact O-CB 3.43Å; K896-T900 PolarHBondContact O-N 3.32Å; K896-T900 PolarHBondContact O-OG1 3.41Å; D897-T900 PolarHBondContact O-N 2.93Å; T900-Y903 WeakPolarHBondContact O-CB 3.3Å; T900-Y903 PolarHBondContact O-N 3.13Å; T900-H904 WeakPolarHBondContact CG2-NE2 3.41Å; T900-H904 PolarHBondContact O-CD2 3.13Å; T900-H904 PolarHBondContact O-N 3.2Å
901	F	81.2	Confident	85.5	Confident	11 Å²	11	71.7 Å²	71.7	5%	0.048	35%	0.345	C	S	.	.	H	α-helix	trans	-60.2	-48.4	177	-179.4	-101.5	0	0	0	112.5	D897 L898 T899 Y903 H904 L905 R951 I953 I956 Y1137	D897-F901 VanDerWaalsContact O-CB 3.24Å; D897-F901 WeakPolarHBondContact O-CB 3.35Å; D897-F901 PolarHBondContact O-N 3.4Å; L898-F901 PolarHBondContact O-N 3.45Å; T899-F901 VanDerWaalsContact C-N 3.33Å; T899-F901 PolarHBondContact O-N 2.87Å; F901-Y903 VanDerWaalsContact C-N 3.28Å; F901-Y903 PolarHBondContact O-N 3.33Å; F901-H904 PolarHBondContact O-N 3.41Å; F901-H904 VanDerWaalsContact O-N 3.16Å; F901-L905 HydrophobicContact CD1-CD1 3.82Å; F901-L905 HydrophobicContact CD1-CG 4.47Å; F901-L905 HydrophobicContact CE1-CD1 3.13Å; F901-L905 HydrophobicContact CE1-CG 4.07Å; F901-L905 HydrophobicContact CE2-CD1 4.27Å; F901-L905 HydrophobicContact CZ-CD1 3.43Å; F901-L905 VanDerWaalsContact CZ-CD1 3.43Å; F901-L905 HydrophobicContact CZ-CG 4.13Å; F901-L905 PolarHBondContact O-N 2.91Å; F901-R951 VanDerWaalsContact CE2-O 3.3Å; F901-R951 WeakPolarHBondContact CE2-O 3.46Å; F901-R951 VanDerWaalsContact CZ-O 3.23Å; F901-R951 WeakPolarHBondContact CZ-O 3.34Å; F901-I953 HydrophobicContact CD1-CB 4.12Å; F901-I953 HydrophobicContact CD1-CD1 3.61Å; F901-I953 HydrophobicContact CD1-CG1 3.52Å; F901-I953 HydrophobicContact CE1-CB 3.38Å; F901-I953 HydrophobicContact CE1-CD1 3.47Å; F901-I953 VanDerWaalsContact CE1-CD1 3.47Å; F901-I953 HydrophobicContact CE1-CG1 3.31Å; F901-I953 HydrophobicContact CE2-CB 4.41Å; F901-I953 HydrophobicContact CG-CG1 4.3Å; F901-I953 HydrophobicContact CZ-CB 3.54Å; F901-I953 HydrophobicContact CZ-CD1 4.49Å; F901-I953 HydrophobicContact CZ-CG1 3.93Å; F901-I956 HydrophobicContact CB-CD1 4.31Å; F901-I956 HydrophobicContact CD2-CD1 3.18Å; F901-I956 HydrophobicContact CE2-CD1 3.62Å; F901-I956 HydrophobicContact CG-CD1 3.97Å; F901-Y1137 HydrophobicContact CZ-CE2 4.37Å
902	L	85.6	Confident	85.8	Confident	6 Å²	6	74.4 Å²	74.4	3%	0.031	36%	0.355	C	S	.	.	H	α-helix	trans	-64.7	-35.1	178.4	-66.7	170.4	0	0	0	112.6	M862 I881 L898 T899 L905 R906 I907 A909 V911	M862-L902 HydrophobicContact CE-CD2 3.2Å; M862-L902 HydrophobicContact CE-CG 4.46Å; I881-L902 HydrophobicContact CD1-CD1 3.53Å; I881-L902 HydrophobicContact CD1-CD2 4.3Å; L898-L902 VanDerWaalsContact O-CG 3.24Å; L898-L902 WeakPolarHBondContact O-CG 3.07Å; L898-L902 PolarHBondContact O-N 3.23Å; T899-L902 PolarHBondContact O-N 3.4Å; L902-L905 CarbonylContact O-C 3.44Å; L902-L905 PolarHBondContact O-N 3.23Å; L902-R906 PolarHBondContact O-N 3.47Å; L902-I907 HydrophobicContact CD2-CB 3.99Å; L902-I907 HydrophobicContact CD2-CD1 4.38Å; L902-I907 HydrophobicContact CD2-CG2 3.95Å; L902-I907 PolarHBondContact O-N 3.45Å; L902-A909 HydrophobicContact CD1-CB 4.25Å; L902-V911 HydrophobicContact CD1-CG2 3.32Å
903	Y	84.5	Confident	86	Confident	185 Å²	185	69.2 Å²	69.2	73%	0.725	33%	0.33	S	S	*	.	H	α-helix	trans	-60	-47.1	172.1	178.4	-96.5	0	0	0	111.5	T899 T900 F901 L905 R906	T899-Y903 WeakPolarHBondContact O-CB 3.19Å; T899-Y903 PolarHBondContact O-N 3.02Å; T900-Y903 WeakPolarHBondContact O-CB 3.3Å; T900-Y903 PolarHBondContact O-N 3.13Å; F901-Y903 VanDerWaalsContact C-N 3.28Å; F901-Y903 PolarHBondContact O-N 3.33Å; Y903-L905 VanDerWaalsContact C-N 3.28Å; Y903-L905 PolarHBondContact O-N 2.79Å; Y903-R906 PolarHBondContact O-N 3.24Å
904	H	78.9	Confident	86.3	Confident	137 Å²	137	66.5 Å²	66.5	63%	0.634	32%	0.318	S	S	*	.	H	α-helix	trans	-62.9	-34.1	176.5	-72.1	-56.2	0	0	0	113.1	T900 F901 R906	T900-H904 WeakPolarHBondContact CG2-NE2 3.41Å; T900-H904 PolarHBondContact O-CD2 3.13Å; T900-H904 PolarHBondContact O-N 3.2Å; F901-H904 PolarHBondContact O-N 3.41Å; F901-H904 VanDerWaalsContact O-N 3.16Å; H904-R906 VanDerWaalsContact C-N 3.29Å
905	L	75	Confident	86.5	Confident	28 Å²	28	71.7 Å²	71.7	15%	0.147	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-5.3	175	-66.1	-177.3	0	0	0	114.4	F901 L902 Y903 I907 Y1137	F901-L905 HydrophobicContact CD1-CD1 3.82Å; F901-L905 HydrophobicContact CD1-CG 4.47Å; F901-L905 HydrophobicContact CE1-CD1 3.13Å; F901-L905 HydrophobicContact CE1-CG 4.07Å; F901-L905 HydrophobicContact CE2-CD1 4.27Å; F901-L905 HydrophobicContact CZ-CD1 3.43Å; F901-L905 VanDerWaalsContact CZ-CD1 3.43Å; F901-L905 HydrophobicContact CZ-CG 4.13Å; F901-L905 PolarHBondContact O-N 2.91Å; L902-L905 CarbonylContact O-C 3.44Å; L902-L905 PolarHBondContact O-N 3.23Å; Y903-L905 VanDerWaalsContact C-N 3.28Å; Y903-L905 PolarHBondContact O-N 2.79Å; L905-I907 HydrophobicContact CB-CD1 3.92Å; L905-I907 HydrophobicContact CB-CG1 3.88Å; L905-I907 HydrophobicContact CD1-CD1 3.93Å; L905-I907 PolarHBondContact O-N 3.47Å; L905-Y1137 HydrophobicContact CD1-CD2 3.3Å; L905-Y1137 HydrophobicContact CD1-CE2 3.37Å; L905-Y1137 HydrophobicContact CD1-CG 3.94Å; L905-Y1137 HydrophobicContact CD2-CD2 3.66Å; L905-Y1137 HydrophobicContact CD2-CE2 4.22Å; L905-Y1137 HydrophobicContact CG-CD2 4.06Å; L905-Y1137 HydrophobicContact CG-CE2 4.43Å
906	R	83.3	Confident	86.3	Confident	225 Å²	225	67.3 Å²	67.3	85%	0.849	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	30.6	-174.2	-52.7	178	178.3	177.3	-1.5	113.3	L902 Y903 H904	L902-R906 PolarHBondContact O-N 3.47Å; Y903-R906 PolarHBondContact O-N 3.24Å; H904-R906 VanDerWaalsContact C-N 3.29Å
907	I	82.8	Confident	86	Confident	10 Å²	10	65.8 Å²	65.8	5%	0.051	32%	0.318	C	S	.	.			trans	-92.4	116.2	176.8	-64.9	179.2	0	0	0	108.3	M862 F866 M879 L902 L905 A909 Y1137	M862-I907 HydrophobicContact CE-CG2 4.36Å; F866-I907 HydrophobicContact CD2-CD1 4.21Å; F866-I907 HydrophobicContact CD2-CG1 3.95Å; F866-I907 HydrophobicContact CE2-CG1 4.08Å; M879-I907 HydrophobicContact CE-CG2 3.13Å; L902-I907 HydrophobicContact CD2-CB 3.99Å; L902-I907 HydrophobicContact CD2-CD1 4.38Å; L902-I907 HydrophobicContact CD2-CG2 3.95Å; L902-I907 PolarHBondContact O-N 3.45Å; L905-I907 HydrophobicContact CB-CD1 3.92Å; L905-I907 HydrophobicContact CB-CG1 3.88Å; L905-I907 HydrophobicContact CD1-CD1 3.93Å; L905-I907 PolarHBondContact O-N 3.47Å; I907-A909 HydrophobicContact CG2-CB 4.43Å; I907-A909 PolarHBondContact O-N 2.9Å; I907-Y1137 HydrophobicContact CD1-CD1 3.85Å; I907-Y1137 HydrophobicContact CD1-CG 3.94Å
908	T	87.3	Confident	85.5	Confident	102 Å²	102	69.2 Å²	69.2	63%	0.626	33%	0.333	S	S	*	.			trans	-82.8	101.6	176.7	49.7	0	0	0	0	110.3	R869	R869-T908 PolarHBondContact NH1-O 3.26Å
909	A	89.1	Confident	85	Confident	29 Å²	29	71.8 Å²	71.8	24%	0.24	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	152.4	177.1	0	0	0	0	0	112.4	M879 I881 L902 I907	M879-A909 HydrophobicContact CB-CB 4Å; M879-A909 HydrophobicContact CE-CB 3.46Å; M879-A909 VanDerWaalsContact CE-CB 3.46Å; M879-A909 HydrophobicContact CG-CB 4.13Å; M879-A909 VanDerWaalsContact O-CA 3.26Å; M879-A909 WeakPolarHBondContact O-CA 3.36Å; I881-A909 HydrophobicContact CD1-CB 3.49Å; I881-A909 VanDerWaalsContact CD1-CB 3.49Å; I881-A909 HydrophobicContact CG1-CB 4.2Å; L902-A909 HydrophobicContact CD1-CB 4.25Å; I907-A909 HydrophobicContact CG2-CB 4.43Å; I907-A909 PolarHBondContact O-N 2.9Å
910	E	91.4	Very high	84.5	Confident	112 Å²	112	69.7 Å²	69.7	52%	0.523	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	128.5	172.7	-66.6	168.5	-166.2	0	0	108.8	M879 R880 I881	M879-E910 PolarHBondContact O-N 3.26Å; R880-E910 CarbonylContact C-O 3.6Å; R880-E910 HydrophobicContact CG-CB 4.49Å; I881-E910 PolarHBondContact N-O 3.47Å
911	V	91.5	Very high	84.2	Confident	17 Å²	17	66.7 Å²	66.7	10%	0.103	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126.7	179.6	-177.3	0	0	0	0	110.1	I881 K895 L898 L902	I881-V911 HydrophobicContact CD1-CG2 4.26Å; I881-V911 WeakPolarHBondContact O-CA 3.27Å; K895-V911 WeakPolarHBondContact CE-O 3.38Å; L898-V911 HydrophobicContact CB-CG1 4.02Å; L898-V911 HydrophobicContact CB-CG2 4.45Å; L898-V911 HydrophobicContact CD1-CG1 4.08Å; L902-V911 HydrophobicContact CD1-CG2 3.32Å
912	E	92.4	Very high	83.9	Confident	81 Å²	81	67.2 Å²	67.2	38%	0.379	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	135.2	171.9	-160.2	-176.3	173.3	0	0	110.3	I881 F882 T883 K1085	I881-E912 PolarHBondContact O-N 3.35Å; F882-E912 CarbonylContact C-O 3.59Å; F882-E912 VanDerWaalsContact CA-O 3.32Å; F882-E912 WeakPolarHBondContact CA-O 3.44Å; F882-E912 HydrophobicContact CD1-CB 3.95Å; F882-E912 HydrophobicContact CE1-CB 4.26Å; F882-E912 WeakPolarHBondContact CE1-OE2 3.31Å; T883-E912 PolarHBondContact N-O 3.1Å; E912-K1085 IonicContact OE1-NZ 2.77Å; E912-K1085 PolarHBondContact OE1-NZ 3.23Å; E912-K1085 IonicContact OE2-NZ 3.65Å; E912-K1085 PolarHBondContact OE2-NZ 2.98Å
913	V	90.9	Very high	83.3	Confident	25 Å²	25	67.5 Å²	67.5	15%	0.152	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	126.6	176.2	-176.5	0	0	0	0	107.6	T883 A885 M894 K895	T883-V913 HydrophobicContact CG2-CB 4.06Å; T883-V913 HydrophobicContact CG2-CG1 4.11Å; T883-V913 HydrophobicContact CG2-CG2 3.58Å; T883-V913 CarbonylContact O-C 3.51Å; T883-V913 WeakPolarHBondContact O-CA 3.46Å; A885-V913 HydrophobicContact CB-CG1 3.57Å; M894-V913 HydrophobicContact SD-CG1 4.5Å; K895-V913 HydrophobicContact CB-CG2 3.64Å; K895-V913 HydrophobicContact CG-CG2 4.24Å
914	V	90.5	Very high	82.9	Confident	16 Å²	16	59 Å²	59	10%	0.097	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	117.4	178.8	-175.6	0	0	0	0	108.2	W852 T883 V884 A885 M916 V1081	W852-V914 HydrophobicContact CH2-CG2 4.3Å; W852-V914 HydrophobicContact CZ3-CG2 4.18Å; T883-V914 PolarHBondContact O-N 3.38Å; V884-V914 WeakPolarHBondContact CA-O 3.39Å; A885-V914 PolarHBondContact N-O 3.07Å; V914-M916 HydrophobicContact CG1-CG 4.28Å; V914-V1081 HydrophobicContact CG1-CG1 3.87Å
915	E	88	Confident	82.6	Confident	109 Å²	109	53.3 Å²	53.3	51%	0.509	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	129.4	178.1	-66.7	176.5	-178	0	0	109.8	A885 S891	A885-E915 WeakPolarHBondContact O-CA 3.37Å; S891-E915 WeakPolarHBondContact CB-OE1 3.49Å; S891-E915 PolarHBondContact OG-OE1 3.49Å
916	M	84.5	Confident	82.2	Confident	10 Å²	10	59 Å²	59	5%	0.049	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	152.6	177.6	-66.2	-168.6	76.2	0	0	110.9	V884 A885 V914 D920 I921 L1078	V884-M916 HydrophobicContact CG1-CB 3.98Å; V884-M916 HydrophobicContact CG1-CG 3.92Å; V884-M916 HydrophobicContact CG1-SD 3.94Å; A885-M916 PolarHBondContact O-N 3.04Å; V914-M916 HydrophobicContact CG1-CG 4.28Å; M916-D920 HydrophobicContact CE-CB 3.76Å; M916-I921 HydrophobicContact CB-CG2 4.16Å; M916-I921 HydrophobicContact SD-CG2 4.23Å; M916-L1078 HydrophobicContact CE-CB 4.41Å; M916-L1078 HydrophobicContact CE-CD1 3.99Å; M916-L1078 HydrophobicContact SD-CD1 3.55Å; M916-L1078 VanDerWaalsContact SD-CD1 3.55Å
917	H	83.1	Confident	81.3	Confident	100 Å²	100	51.8 Å²	51.8	46%	0.463	27%	0.266	S	S	.	.			trans	-73.6	149	175.3	-165.3	-96.2	0	0	0	110.5	M887 S919 D920	M887-H917 HydrophobicContact CE-CB 4.39Å; H917-S919 PolarHBondContact ND1-N 3.41Å; H917-S919 PolarHBondContact ND1-OG 2.88Å; H917-S919 PolarHBondContact O-N 3.15Å; H917-D920 WeakPolarHBondContact O-CB 3.49Å; H917-D920 PolarHBondContact O-N 3.27Å
918	E	74.7	Confident	80.5	Confident	110 Å²	110	53.2 Å²	53.2	51%	0.514	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-59	-33.7	-176.9	-179.1	169.3	-156.7	0	0	113.1	D920 I921 S922	E918-D920 PolarHBondContact O-N 3.02Å; E918-I921 PolarHBondContact O-N 3.4Å; E918-S922 PolarHBondContact O-N 3.47Å
919	S	75.6	Confident	79.4	Confident	59 Å²	59	53.4 Å²	53.4	41%	0.413	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-55.6	-32.6	174	55.7	0	0	0	0	113.2	H917 S922 T1074	H917-S919 PolarHBondContact ND1-N 3.41Å; H917-S919 PolarHBondContact ND1-OG 2.88Å; H917-S919 PolarHBondContact O-N 3.15Å; S919-S922 PolarHBondContact O-OG 3.35Å; S919-T1074 PolarHBondContact O-OG1 3.02Å
920	D	79.4	Confident	78.4	Confident	28 Å²	28	56.5 Å²	56.5	15%	0.15	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-91.3	-4.9	-172.1	-53.9	-21.3	0	0	0	112.3	M916 H917 E918 T1074	M916-D920 HydrophobicContact CE-CB 3.76Å; H917-D920 WeakPolarHBondContact O-CB 3.49Å; H917-D920 PolarHBondContact O-N 3.27Å; E918-D920 PolarHBondContact O-N 3.02Å; D920-T1074 WeakPolarHBondContact O-CG2 3.44Å
921	I	78.1	Confident	77.3	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126	10.8	174.5	60.3	168.3	0	0	0	113	V884 Q886 M916 E918 A923 Y924 T925	V884-I921 HydrophobicContact CG1-CG2 3.86Å; Q886-I921 HydrophobicContact CG-CD1 3.58Å; M916-I921 HydrophobicContact CB-CG2 4.16Å; M916-I921 HydrophobicContact SD-CG2 4.23Å; E918-I921 PolarHBondContact O-N 3.4Å; I921-A923 PolarHBondContact O-N 3.36Å; I921-Y924 PolarHBondContact O-N 3.34Å; I921-T925 HydrophobicContact CB-CG2 4.46Å; I921-T925 HydrophobicContact CD1-CG2 3.55Å; I921-T925 HydrophobicContact CG1-CG2 3.76Å; I921-T925 PolarHBondContact O-N 3.39Å; I921-T925 VanDerWaalsContact O-N 3.15Å; I921-T925 PolarHBondContact O-OG1 2.88Å
922	S	74.7	Confident	76.1	Confident	22 Å²	22	56.8 Å²	56.8	15%	0.154	29%	0.29	C	S	.	.	H	α-helix	trans	-53.8	-31.2	-173.6	59.6	0	0	0	0	114.6	E918 S919 Y924 T925 Y926	E918-S922 PolarHBondContact O-N 3.47Å; S919-S922 PolarHBondContact O-OG 3.35Å; S922-Y924 PolarHBondContact O-N 3.12Å; S922-T925 WeakPolarHBondContact CA-OG1 3.31Å; S922-Y926 PolarHBondContact O-N 3.5Å
923	A	73	Confident	75.1	Confident	12 Å²	12	58.4 Å²	58.4	10%	0.099	30%	0.297	C	S	.	.	H	α-helix	trans	-65.5	-25.1	176.5	0	0	0	0	0	113.7	I921 P1097 F1112	I921-A923 PolarHBondContact O-N 3.36Å; A923-P1097 HydrophobicContact CB-CB 4.43Å; A923-F1112 HydrophobicContact CB-CE2 4.11Å; A923-F1112 HydrophobicContact CB-CZ 3.79Å
924	Y	76.3	Confident	74.2	Confident	5 Å²	5	62.1 Å²	62.1	2%	0.02	31%	0.313	C	S	.	.	H	α-helix	trans	-100.1	-29.8	-180	-66.3	-87.1	0	0	0	112.8	I854 H856 I921 S922 L1078 N1095 P1097 L1116	I854-Y924 HydrophobicContact CB-CD1 4.26Å; I854-Y924 HydrophobicContact CB-CE1 4.29Å; I854-Y924 HydrophobicContact CB-CG 4.37Å; I854-Y924 HydrophobicContact CD1-CE1 4.28Å; I854-Y924 HydrophobicContact CD1-CE2 3.99Å; I854-Y924 HydrophobicContact CG2-CD1 3.97Å; I854-Y924 HydrophobicContact CG2-CD2 3.64Å; I854-Y924 HydrophobicContact CG2-CE1 4.32Å; I854-Y924 HydrophobicContact CG2-CE2 4.03Å; I854-Y924 HydrophobicContact CG2-CG 3.59Å; H856-Y924 PolarHBondContact NE2-O 2.94Å; H856-Y924 VanDerWaalsContact NE2-O 3.14Å; I921-Y924 PolarHBondContact O-N 3.34Å; S922-Y924 PolarHBondContact O-N 3.12Å; Y924-L1078 HydrophobicContact CE2-CD2 3.88Å; Y924-N1095 WeakPolarHBondContact CD1-ND2 3.24Å; Y924-N1095 VanDerWaalsContact CE1-ND2 3.34Å; Y924-N1095 WeakPolarHBondContact CE1-ND2 3.35Å; Y924-N1095 VanDerWaalsContact CE1-O 3.28Å; Y924-N1095 WeakPolarHBondContact CE1-O 3.36Å; Y924-N1095 PolarHBondContact OH-O 3.43Å; Y924-P1097 HydrophobicContact CD1-CB 4.36Å; Y924-P1097 HydrophobicContact CE1-CB 4.14Å; Y924-L1116 WeakPolarHBondContact OH-CD2 3.16Å
925	T	72.7	Confident	73.2	Confident	18 Å²	18	63.4 Å²	63.4	11%	0.11	32%	0.316	C	S	.	.	H	α-helix	trans	-79.6	-24.9	-178.2	54.9	0	0	0	0	113.3	V855 I921 S922 E927 K928	V855-T925 HydrophobicContact CG2-CG2 4.41Å; I921-T925 HydrophobicContact CB-CG2 4.46Å; I921-T925 HydrophobicContact CD1-CG2 3.55Å; I921-T925 HydrophobicContact CG1-CG2 3.76Å; I921-T925 PolarHBondContact O-N 3.39Å; I921-T925 VanDerWaalsContact O-N 3.15Å; I921-T925 PolarHBondContact O-OG1 2.88Å; S922-T925 WeakPolarHBondContact CA-OG1 3.31Å; T925-E927 VanDerWaalsContact C-N 3.26Å; T925-E927 PolarHBondContact O-N 3.15Å; T925-K928 WeakPolarHBondContact O-CB 3.42Å; T925-K928 PolarHBondContact O-N 3.15Å
926	Y	66.8	Low	72.4	Confident	149 Å²	149	60.9 Å²	60.9	58%	0.584	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-37.3	-179	-176.1	-103.4	0	0	0	113.8	S922	S922-Y926 PolarHBondContact O-N 3.5Å
927	E	65.3	Low	72	Confident	73 Å²	73	65.5 Å²	65.5	34%	0.341	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-0.4	-179.1	-63	-177	162.1	0	0	113.2	T925 T929 V931	T925-E927 VanDerWaalsContact C-N 3.26Å; T925-E927 PolarHBondContact O-N 3.15Å; E927-T929 PolarHBondContact O-N 3.46Å; E927-V931 HydrophobicContact CB-CG2 4.26Å; E927-V931 WeakPolarHBondContact O-CG2 3.27Å; E927-V931 PolarHBondContact O-N 3.41Å
928	K	66.4	Low	71.5	Confident	39 Å²	39	63.1 Å²	63.1	17%	0.17	32%	0.322	C	S	.	.	H	α-helix	trans	-60.8	-48.9	-165.5	-175.2	-178.5	177.9	-176.2	0	113.4	V855 T925 M932	V855-K928 HydrophobicContact CG1-CB 4.46Å; V855-K928 HydrophobicContact CG1-CD 3.77Å; V855-K928 HydrophobicContact CG1-CG 3.84Å; T925-K928 WeakPolarHBondContact O-CB 3.42Å; T925-K928 PolarHBondContact O-N 3.15Å; K928-M932 VanDerWaalsContact O-CB 3.25Å; K928-M932 WeakPolarHBondContact O-CB 3.4Å; K928-M932 PolarHBondContact O-N 2.73Å; K928-M932 VanDerWaalsContact O-N 3.14Å
929	T	63.6	Low	71.3	Confident	106 Å²	106	59.2 Å²	59.2	65%	0.65	30%	0.304	S	S	*	.	H	α-helix	trans	-68.5	-42.8	-173.7	-39.5	0	0	0	0	111.9	E927 E933	E927-T929 PolarHBondContact O-N 3.46Å; T929-E933 PolarHBondContact O-N 3.42Å
930	L	67.8	Low	71.2	Confident	94 Å²	94	64 Å²	64	49%	0.492	32%	0.318	S	S	.	.	H	α-helix	trans	-66.6	-46.4	-177.7	-177.1	67.2	0	0	0	111.7	E933 Q934	L930-E933 PolarHBondContact O-N 3.15Å; L930-Q934 WeakPolarHBondContact O-CG 3.45Å; L930-Q934 PolarHBondContact O-N 3.18Å; L930-Q934 VanDerWaalsContact O-N 3.15Å
931	V	67.7	Low	70.8	Confident	54 Å²	54	69.5 Å²	69.5	33%	0.327	34%	0.343	S	S	.	.	H	α-helix	trans	-68.9	-37.7	-178.1	177.1	0	0	0	0	111.1	E927 R935	E927-V931 HydrophobicContact CB-CG2 4.26Å; E927-V931 WeakPolarHBondContact O-CG2 3.27Å; E927-V931 PolarHBondContact O-N 3.41Å; V931-R935 WeakPolarHBondContact O-CB 3.14Å; V931-R935 PolarHBondContact O-N 3.28Å
932	M	67.8	Low	70.2	Confident	82 Å²	82	70.9 Å²	70.9	40%	0.404	35%	0.349	S	S	.	.	H	α-helix	trans	-65.2	-40	178	-167.1	-179.1	79.7	0	0	112.1	K928 R935 S936 D958	K928-M932 VanDerWaalsContact O-CB 3.25Å; K928-M932 WeakPolarHBondContact O-CB 3.4Å; K928-M932 PolarHBondContact O-N 2.73Å; K928-M932 VanDerWaalsContact O-N 3.14Å; M932-R935 PolarHBondContact O-N 3.43Å; M932-S936 WeakPolarHBondContact O-CB 3.42Å; M932-S936 PolarHBondContact O-N 3.34Å; M932-D958 HydrophobicContact SD-CB 4.2Å
933	E	70.5	Confident	70	Confident	114 Å²	114	77.6 Å²	77.6	53%	0.533	38%	0.378	S	S	.	.	H	α-helix	trans	-68.3	-45.8	177.7	-172.4	171.7	-168.2	0	0	112	T929 L930 R935 S936 Q937	T929-E933 PolarHBondContact O-N 3.42Å; L930-E933 PolarHBondContact O-N 3.15Å; E933-R935 VanDerWaalsContact C-N 3.31Å; E933-R935 PolarHBondContact O-N 3.39Å; E933-S936 WeakPolarHBondContact O-CB 3.4Å; E933-S936 PolarHBondContact O-N 3.37Å; E933-S936 VanDerWaalsContact O-N 3.15Å; E933-Q937 PolarHBondContact O-N 3.49Å
934	Q	72.2	Confident	69.8	Low	103 Å²	103	78.5 Å²	78.5	48%	0.481	38%	0.381	S	S	.	.	H	α-helix	trans	-58	-44.3	174.5	-72.8	179.7	-12.6	0	0	111.5	L930 S936 Q937 I938	L930-Q934 WeakPolarHBondContact O-CG 3.45Å; L930-Q934 PolarHBondContact O-N 3.18Å; L930-Q934 VanDerWaalsContact O-N 3.15Å; Q934-S936 VanDerWaalsContact C-N 3.35Å; Q934-S936 PolarHBondContact O-N 3.44Å; Q934-Q937 PolarHBondContact O-N 3.41Å; Q934-I938 WeakPolarHBondContact O-CG1 3.38Å; Q934-I938 PolarHBondContact O-N 3.19Å
935	R	70.2	Confident	69.8	Low	44 Å²	44	82 Å²	82	17%	0.166	40%	0.403	C	S	.	.	H	α-helix	trans	-61.3	-42	175.8	-172.2	-176.9	-173.3	139.2	3.8	112	V931 M932 E933 Q937 I938 L939 E952 Q954	V931-R935 WeakPolarHBondContact O-CB 3.14Å; V931-R935 PolarHBondContact O-N 3.28Å; M932-R935 PolarHBondContact O-N 3.43Å; E933-R935 VanDerWaalsContact C-N 3.31Å; E933-R935 PolarHBondContact O-N 3.39Å; R935-Q937 VanDerWaalsContact C-N 3.33Å; R935-Q937 PolarHBondContact O-N 2.86Å; R935-I938 PolarHBondContact O-N 3.48Å; R935-L939 HydrophobicContact CG-CD1 4.14Å; R935-L939 WeakPolarHBondContact O-CG 3.3Å; R935-L939 PolarHBondContact O-N 3.04Å; R935-E952 IonicContact CZ-OE1 3.94Å; R935-E952 VanDerWaalsContact CZ-OE1 3.27Å; R935-E952 IonicContact NE-OE1 3.55Å; R935-E952 PolarHBondContact NE-OE1 3.08Å; R935-E952 VanDerWaalsContact NE-OE1 3.09Å; R935-E952 IonicContact NH2-OE1 2.89Å; R935-E952 PolarHBondContact NH2-OE1 3.38Å; R935-Q954 VanDerWaalsContact NH1-CG 3.29Å
936	S	71.2	Confident	69.8	Low	56 Å²	56	87.9 Å²	87.9	39%	0.392	43%	0.427	S	S	.	.	H	α-helix	trans	-62.1	-39.4	177.7	-168	0	0	0	0	112.3	M932 E933 Q934 L939 K940	M932-S936 WeakPolarHBondContact O-CB 3.42Å; M932-S936 PolarHBondContact O-N 3.34Å; E933-S936 WeakPolarHBondContact O-CB 3.4Å; E933-S936 PolarHBondContact O-N 3.37Å; E933-S936 VanDerWaalsContact O-N 3.15Å; Q934-S936 VanDerWaalsContact C-N 3.35Å; Q934-S936 PolarHBondContact O-N 3.44Å; S936-L939 PolarHBondContact O-N 2.92Å; S936-K940 WeakPolarHBondContact O-CG 3.43Å; S936-K940 PolarHBondContact O-N 3.46Å; S936-K940 VanDerWaalsContact O-N 3.14Å
937	Q	75.2	Confident	70.2	Confident	106 Å²	106	86.1 Å²	86.1	50%	0.495	43%	0.428	S	S	.	.	H	α-helix	trans	-65.3	-43.8	175	-68.5	179	-0.9	0	0	111.9	E933 Q934 R935 L939 K940 Q941	E933-Q937 PolarHBondContact O-N 3.49Å; Q934-Q937 PolarHBondContact O-N 3.41Å; R935-Q937 VanDerWaalsContact C-N 3.33Å; R935-Q937 PolarHBondContact O-N 2.86Å; Q937-L939 PolarHBondContact O-N 3.42Å; Q937-K940 PolarHBondContact O-N 2.69Å; Q937-Q941 PolarHBondContact O-N 3.19Å; Q937-Q941 VanDerWaalsContact O-N 3.17Å
938	I	72.3	Confident	70.4	Confident	51 Å²	51	85 Å²	85	26%	0.262	42%	0.423	S	S	.	.	H	α-helix	trans	-61.4	-44.4	176.5	-66.3	166.5	0	0	0	110.4	Q934 R935 K940 Q941 M942	Q934-I938 WeakPolarHBondContact O-CG1 3.38Å; Q934-I938 PolarHBondContact O-N 3.19Å; R935-I938 PolarHBondContact O-N 3.48Å; I938-K940 VanDerWaalsContact C-N 3.28Å; I938-K940 PolarHBondContact O-N 3.04Å; I938-Q941 PolarHBondContact O-N 3.14Å; I938-Q941 VanDerWaalsContact O-N 3.14Å; I938-M942 HydrophobicContact CG2-CE 3.65Å; I938-M942 HydrophobicContact CG2-SD 4.11Å; I938-M942 WeakPolarHBondContact O-CG 3.25Å; I938-M942 PolarHBondContact O-N 3.28Å
939	L	70.5	Confident	70.6	Confident	28 Å²	28	88.8 Å²	88.8	15%	0.147	44%	0.436	C	S	.	.	H	α-helix	trans	-59.6	-36.3	176.8	-73.3	168.8	0	0	0	113.1	R935 S936 Q937 M942 L944 E952 V1133	R935-L939 HydrophobicContact CG-CD1 4.14Å; R935-L939 WeakPolarHBondContact O-CG 3.3Å; R935-L939 PolarHBondContact O-N 3.04Å; S936-L939 PolarHBondContact O-N 2.92Å; Q937-L939 PolarHBondContact O-N 3.42Å; L939-M942 HydrophobicContact CD2-CE 3.66Å; L939-M942 HydrophobicContact CG-CE 4.24Å; L939-M942 PolarHBondContact O-N 3.1Å; L939-L944 HydrophobicContact CD2-CD1 3.55Å; L939-E952 WeakPolarHBondContact CD2-OE2 3.47Å; L939-V1133 HydrophobicContact CD2-CG1 4.38Å; L939-V1133 HydrophobicContact CD2-CG2 3.94Å
940	K	72.7	Confident	71	Confident	159 Å²	159	88.6 Å²	88.6	69%	0.691	43%	0.428	S	S	*	.	H	α-helix	trans	-67.4	-38.6	175.1	-72.2	175	-177.2	-179.5	0	112.4	S936 Q937 I938 M942	S936-K940 WeakPolarHBondContact O-CG 3.43Å; S936-K940 PolarHBondContact O-N 3.46Å; S936-K940 VanDerWaalsContact O-N 3.14Å; Q937-K940 PolarHBondContact O-N 2.69Å; I938-K940 VanDerWaalsContact C-N 3.28Å; I938-K940 PolarHBondContact O-N 3.04Å; K940-M942 VanDerWaalsContact C-N 3.25Å; K940-M942 PolarHBondContact O-N 2.8Å
941	Q	71.9	Confident	71.1	Confident	144 Å²	144	90.4 Å²	90.4	67%	0.673	43%	0.428	S	S	*	.	H	α-helix	trans	-67.1	-26.2	177.5	-68.9	175.2	-10.6	0	0	112.9	Q937 I938 H943	Q937-Q941 PolarHBondContact O-N 3.19Å; Q937-Q941 VanDerWaalsContact O-N 3.17Å; I938-Q941 PolarHBondContact O-N 3.14Å; I938-Q941 VanDerWaalsContact O-N 3.14Å; Q941-H943 VanDerWaalsContact C-N 3.32Å; Q941-H943 PolarHBondContact O-N 3.02Å; Q941-H943 PolarHBondContact O-ND1 3.34Å
942	M	64.9	Low	71.4	Confident	30 Å²	30	88 Å²	88	15%	0.148	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	1.7	-174.1	-70.6	-173.9	-63.1	0	0	115.5	T690 I938 L939 K940 L944 V1133	T690-M942 WeakPolarHBondContact CB-SD 3.43Å; T690-M942 HydrophobicContact CG2-SD 4.02Å; T690-M942 PolarHBondContact OG1-SD 3.08Å; I938-M942 HydrophobicContact CG2-CE 3.65Å; I938-M942 HydrophobicContact CG2-SD 4.11Å; I938-M942 WeakPolarHBondContact O-CG 3.25Å; I938-M942 PolarHBondContact O-N 3.28Å; L939-M942 HydrophobicContact CD2-CE 3.66Å; L939-M942 HydrophobicContact CG-CE 4.24Å; L939-M942 PolarHBondContact O-N 3.1Å; K940-M942 VanDerWaalsContact C-N 3.25Å; K940-M942 PolarHBondContact O-N 2.8Å; M942-L944 HydrophobicContact CB-CD1 4.4Å; M942-L944 HydrophobicContact CB-CG 4.26Å; M942-L944 HydrophobicContact CE-CD1 4.4Å; M942-L944 PolarHBondContact O-N 3.01Å; M942-L944 VanDerWaalsContact O-N 3.14Å; M942-V1133 HydrophobicContact CE-CB 4.41Å; M942-V1133 HydrophobicContact CE-CG2 3.54Å; M942-V1133 HydrophobicContact SD-CG2 4.45Å
943	H	70.8	Confident	71.7	Confident	163 Å²	163	84.2 Å²	84.2	76%	0.755	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.4	47.3	177.3	-62.8	83.1	0	0	0	112.9	Q941	Q941-H943 VanDerWaalsContact C-N 3.32Å; Q941-H943 PolarHBondContact O-N 3.02Å; Q941-H943 PolarHBondContact O-ND1 3.34Å
944	L	69.5	Low	71.9	Confident	30 Å²	30	79 Å²	79	16%	0.157	37%	0.37	C	S	.	.			trans	-73.1	136.7	177.9	-71.9	160.9	0	0	0	110	K691 L939 M942 E948	K691-L944 HydrophobicContact CD-CD2 3.9Å; K691-L944 HydrophobicContact CG-CD2 3.93Å; L939-L944 HydrophobicContact CD2-CD1 3.55Å; M942-L944 HydrophobicContact CB-CD1 4.4Å; M942-L944 HydrophobicContact CB-CG 4.26Å; M942-L944 HydrophobicContact CE-CD1 4.4Å; M942-L944 PolarHBondContact O-N 3.01Å; M942-L944 VanDerWaalsContact O-N 3.14Å; L944-E948 HydrophobicContact CB-CB 4.36Å; L944-E948 HydrophobicContact CD2-CB 3.91Å
945	T	75.8	Confident	71.8	Confident	80 Å²	80	75.1 Å²	75.1	49%	0.491	35%	0.354	S	S	.	.			trans	-66.8	155.5	169.9	62.1	0	0	0	0	109.8	N947 E948 R949	T945-N947 PolarHBondContact O-N 3.5Å; T945-E948 PolarHBondContact N-OE2 3.45Å; T945-E948 WeakPolarHBondContact O-CB 3.46Å; T945-E948 PolarHBondContact O-N 2.71Å; T945-E948 WeakPolarHBondContact OG1-CG 3.5Å; T945-E948 PolarHBondContact OG1-N 3.38Å; T945-E948 PolarHBondContact OG1-OE2 3.17Å; T945-R949 PolarHBondContact O-N 2.91Å
946	K	72.9	Confident	71.9	Confident	140 Å²	140	74.5 Å²	74.5	61%	0.609	35%	0.354	S	S	*	.	H	α-helix	trans	-54.2	-42	179.9	-170	-179.2	175.3	-174.8	0	112.2	E948 R949 E950	K946-E948 VanDerWaalsContact C-N 3.32Å; K946-E948 PolarHBondContact O-N 2.87Å; K946-R949 PolarHBondContact O-N 3Å; K946-E950 VanDerWaalsContact CE-OE1 3.28Å; K946-E950 WeakPolarHBondContact CE-OE1 3.5Å; K946-E950 WeakPolarHBondContact O-CG 3.4Å; K946-E950 PolarHBondContact O-N 2.95Å
947	N	74.3	Confident	72	Confident	112 Å²	112	71.9 Å²	71.9	60%	0.599	34%	0.336	S	S	*	.	H	α-helix	trans	-63.1	-33.1	176.3	-69.9	-9.4	0	0	0	113.4	T945 R951	T945-N947 PolarHBondContact O-N 3.5Å; N947-R951 WeakPolarHBondContact O-CG 3.47Å
948	E	70	Confident	71.9	Confident	50 Å²	50	68.6 Å²	68.6	23%	0.234	32%	0.321	C	S	.	.	H	α-helix	trans	-74.6	-39.5	176.5	-72.8	171	154	0	0	111.3	K691 L944 T945 K946 E950 R951 T1135	K691-E948 IonicContact NZ-OE1 2.71Å; K691-E948 IonicContact NZ-OE2 3.66Å; K691-E948 PolarHBondContact NZ-OE2 3.35Å; L944-E948 HydrophobicContact CB-CB 4.36Å; L944-E948 HydrophobicContact CD2-CB 3.91Å; T945-E948 PolarHBondContact N-OE2 3.45Å; T945-E948 WeakPolarHBondContact O-CB 3.46Å; T945-E948 PolarHBondContact O-N 2.71Å; T945-E948 WeakPolarHBondContact OG1-CG 3.5Å; T945-E948 PolarHBondContact OG1-N 3.38Å; T945-E948 PolarHBondContact OG1-OE2 3.17Å; K946-E948 VanDerWaalsContact C-N 3.32Å; K946-E948 PolarHBondContact O-N 2.87Å; E948-E950 VanDerWaalsContact C-N 3.34Å; E948-E950 PolarHBondContact O-N 2.51Å; E948-R951 WeakPolarHBondContact O-CB 3.45Å; E948-R951 PolarHBondContact O-N 3.43Å; E948-R951 VanDerWaalsContact O-N 3.08Å; E948-T1135 HydrophobicContact CB-CG2 4.49Å
949	R	71	Confident	71.8	Confident	119 Å²	119	72.4 Å²	72.4	45%	0.449	34%	0.338	S	S	.	.	H	α-helix	trans	-62.9	-40.3	176.8	-166.6	179.9	75.6	-170.3	6.9	111.8	T945 K946 R951 E952 S955	T945-R949 PolarHBondContact O-N 2.91Å; K946-R949 PolarHBondContact O-N 3Å; R949-R951 PolarHBondContact O-N 3.35Å; R949-E952 PolarHBondContact O-N 2.91Å; R949-S955 PolarHBondContact O-OG 2.79Å; R949-S955 VanDerWaalsContact O-OG 3.11Å
950	E	70.9	Confident	71.6	Confident	102 Å²	102	71.5 Å²	71.5	48%	0.477	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-11.3	175.1	-71.1	173.1	-171	0	0	113.4	K946 E948 I956	K946-E950 VanDerWaalsContact CE-OE1 3.28Å; K946-E950 WeakPolarHBondContact CE-OE1 3.5Å; K946-E950 WeakPolarHBondContact O-CG 3.4Å; K946-E950 PolarHBondContact O-N 2.95Å; E948-E950 VanDerWaalsContact C-N 3.34Å; E948-E950 PolarHBondContact O-N 2.51Å; E950-I956 WeakPolarHBondContact O-CD1 3.35Å
951	R	71	Confident	71.3	Confident	131 Å²	131	65.2 Å²	65.2	49%	0.494	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-3.1	174.2	-71.3	175.8	-177.1	-173	2.4	113.6	F901 N947 E948 R949	F901-R951 VanDerWaalsContact CE2-O 3.3Å; F901-R951 WeakPolarHBondContact CE2-O 3.46Å; F901-R951 VanDerWaalsContact CZ-O 3.23Å; F901-R951 WeakPolarHBondContact CZ-O 3.34Å; N947-R951 WeakPolarHBondContact O-CG 3.47Å; E948-R951 WeakPolarHBondContact O-CB 3.45Å; E948-R951 PolarHBondContact O-N 3.43Å; E948-R951 VanDerWaalsContact O-N 3.08Å; R949-R951 PolarHBondContact O-N 3.35Å
952	E	74.2	Confident	70.7	Confident	3 Å²	3	60 Å²	60	1%	0.014	29%	0.291	C	S	.	.			trans	-88	122	174.8	-173	-179.7	-174.2	0	0	110.3	R935 L939 R949 Q954 S955 V1133	R935-E952 IonicContact CZ-OE1 3.94Å; R935-E952 VanDerWaalsContact CZ-OE1 3.27Å; R935-E952 IonicContact NE-OE1 3.55Å; R935-E952 PolarHBondContact NE-OE1 3.08Å; R935-E952 VanDerWaalsContact NE-OE1 3.09Å; R935-E952 IonicContact NH2-OE1 2.89Å; R935-E952 PolarHBondContact NH2-OE1 3.38Å; L939-E952 WeakPolarHBondContact CD2-OE2 3.47Å; R949-E952 PolarHBondContact O-N 2.91Å; E952-Q954 VanDerWaalsContact C-N 3.32Å; E952-Q954 PolarHBondContact O-N 2.8Å; E952-S955 PolarHBondContact O-N 3.46Å; E952-S955 PolarHBondContact O-OG 3.31Å; E952-V1133 HydrophobicContact CG-CG1 4.49Å
953	I	74.4	Confident	69.8	Low	3 Å²	3	61.2 Å²	61.2	2%	0.015	30%	0.302	C	S	.	.	H	α-helix	trans	-66.5	-34.4	-171.9	-158.4	172	0	0	0	113	W853 M862 L898 F901 I956 T957	W853-I953 HydrophobicContact CH2-CD1 4.26Å; W853-I953 HydrophobicContact CH2-CG1 3.94Å; W853-I953 HydrophobicContact CH2-CG2 4.26Å; W853-I953 HydrophobicContact CZ3-CD1 3.86Å; W853-I953 HydrophobicContact CZ3-CG1 4.01Å; M862-I953 HydrophobicContact CG-CD1 3.79Å; M862-I953 HydrophobicContact SD-CD1 4.49Å; L898-I953 HydrophobicContact CD2-CD1 4.03Å; L898-I953 HydrophobicContact CD2-CG1 3.99Å; F901-I953 HydrophobicContact CD1-CB 4.12Å; F901-I953 HydrophobicContact CD1-CD1 3.61Å; F901-I953 HydrophobicContact CD1-CG1 3.52Å; F901-I953 HydrophobicContact CE1-CB 3.38Å; F901-I953 HydrophobicContact CE1-CD1 3.47Å; F901-I953 VanDerWaalsContact CE1-CD1 3.47Å; F901-I953 HydrophobicContact CE1-CG1 3.31Å; F901-I953 HydrophobicContact CE2-CB 4.41Å; F901-I953 HydrophobicContact CG-CG1 4.3Å; F901-I953 HydrophobicContact CZ-CB 3.54Å; F901-I953 HydrophobicContact CZ-CD1 4.49Å; F901-I953 HydrophobicContact CZ-CG1 3.93Å; I953-I956 PolarHBondContact O-N 3.44Å; I953-T957 PolarHBondContact O-N 2.75Å; I953-T957 PolarHBondContact O-OG1 3.36Å
954	Q	73.3	Confident	68.6	Low	4 Å²	4	57.9 Å²	57.9	2%	0.019	29%	0.289	C	S	.	.	H	α-helix	trans	-68.4	-42	-175.6	-170.4	76.4	36.8	0	0	110.9	V855 R935 E952 I956 T957 D958	V855-Q954 PolarHBondContact O-NE2 3.5Å; R935-Q954 VanDerWaalsContact NH1-CG 3.29Å; E952-Q954 VanDerWaalsContact C-N 3.32Å; E952-Q954 PolarHBondContact O-N 2.8Å; Q954-I956 VanDerWaalsContact C-N 3.27Å; Q954-I956 PolarHBondContact O-N 3.45Å; Q954-T957 PolarHBondContact O-N 2.91Å; Q954-T957 VanDerWaalsContact O-N 3.15Å; Q954-T957 PolarHBondContact O-OG1 3.32Å; Q954-D958 PolarHBondContact NE2-OD1 2.96Å; Q954-D958 WeakPolarHBondContact O-CB 3.16Å; Q954-D958 PolarHBondContact O-N 3.08Å
955	S	71.5	Confident	67.4	Low	22 Å²	22	68.1 Å²	68.1	15%	0.154	33%	0.326	C	S	.	.	H	α-helix	trans	-62.3	-36.9	-178.8	52.9	0	0	0	0	112	R949 E952 D958 E959	R949-S955 PolarHBondContact O-OG 2.79Å; R949-S955 VanDerWaalsContact O-OG 3.11Å; E952-S955 PolarHBondContact O-N 3.46Å; E952-S955 PolarHBondContact O-OG 3.31Å; S955-D958 PolarHBondContact O-N 3.44Å; S955-E959 WeakPolarHBondContact O-CG 3.49Å; S955-E959 PolarHBondContact O-N 2.84Å
956	I	72.2	Confident	65.8	Low	31 Å²	31	75.6 Å²	75.6	16%	0.159	35%	0.345	C	S	.	.	H	α-helix	trans	-62.8	-48.4	175.4	-65.5	165.3	0	0	0	110.3	D897 F901 E950 I953 Q954 D958 E959 S960	D897-I956 HydrophobicContact CB-CG2 3.88Å; F901-I956 HydrophobicContact CB-CD1 4.31Å; F901-I956 HydrophobicContact CD2-CD1 3.18Å; F901-I956 HydrophobicContact CE2-CD1 3.62Å; F901-I956 HydrophobicContact CG-CD1 3.97Å; E950-I956 WeakPolarHBondContact O-CD1 3.35Å; I953-I956 PolarHBondContact O-N 3.44Å; Q954-I956 VanDerWaalsContact C-N 3.27Å; Q954-I956 PolarHBondContact O-N 3.45Å; I956-D958 VanDerWaalsContact C-N 3.31Å; I956-D958 PolarHBondContact O-N 2.83Å; I956-E959 PolarHBondContact O-N 3.37Å; I956-S960 PolarHBondContact O-N 3.21Å; I956-S960 PolarHBondContact O-OG 3.2Å; I956-S960 VanDerWaalsContact O-OG 3.09Å
957	T	73.5	Confident	64	Low	1 Å²	1	77.4 Å²	77.4	1%	0.006	35%	0.353	C	S	.	.	H	α-helix	trans	-68.1	-31.7	179.7	49.6	0	0	0	0	113.7	W853 L898 I953 Q954 E959 S960 R961	W853-T957 HydrophobicContact CH2-CG2 3.13Å; W853-T957 VanDerWaalsContact CH2-OG1 3.27Å; W853-T957 WeakPolarHBondContact CH2-OG1 3.3Å; W853-T957 HydrophobicContact CZ2-CG2 3.84Å; W853-T957 VanDerWaalsContact CZ2-OG1 3.23Å; W853-T957 WeakPolarHBondContact CZ2-OG1 3.02Å; W853-T957 HydrophobicContact CZ3-CG2 3.69Å; L898-T957 HydrophobicContact CD1-CG2 4.45Å; L898-T957 HydrophobicContact CD2-CG2 3.7Å; L898-T957 HydrophobicContact CG-CG2 4.24Å; I953-T957 PolarHBondContact O-N 2.75Å; I953-T957 PolarHBondContact O-OG1 3.36Å; Q954-T957 PolarHBondContact O-N 2.91Å; Q954-T957 VanDerWaalsContact O-N 3.15Å; Q954-T957 PolarHBondContact O-OG1 3.32Å; T957-E959 VanDerWaalsContact C-N 3.32Å; T957-S960 PolarHBondContact O-N 3.5Å; T957-R961 WeakPolarHBondContact O-CB 3.18Å; T957-R961 VanDerWaalsContact O-CG 3.24Å; T957-R961 WeakPolarHBondContact O-CG 3.46Å; T957-R961 PolarHBondContact O-N 3.24Å
958	D	72.5	Confident	62	Low	37 Å²	37	79 Å²	79	20%	0.198	36%	0.361	C	S	.	.	H	α-helix	trans	-67.8	-36.4	176.1	-66.5	-11	0	0	0	110.3	M932 Q954 S955 I956 G962	M932-D958 HydrophobicContact SD-CB 4.2Å; Q954-D958 PolarHBondContact NE2-OD1 2.96Å; Q954-D958 WeakPolarHBondContact O-CB 3.16Å; Q954-D958 PolarHBondContact O-N 3.08Å; S955-D958 PolarHBondContact O-N 3.44Å; I956-D958 VanDerWaalsContact C-N 3.31Å; I956-D958 PolarHBondContact O-N 2.83Å; D958-G962 PolarHBondContact O-N 2.68Å
959	E	70.1	Confident	60.1	Low	132 Å²	132	82.8 Å²	82.8	62%	0.617	39%	0.39	S	S	*	.	H	α-helix	trans	-64.7	-45.9	171.4	-75.9	-172.9	171.9	0	0	112.3	S955 I956 T957 R961 G962 S963	S955-E959 WeakPolarHBondContact O-CG 3.49Å; S955-E959 PolarHBondContact O-N 2.84Å; I956-E959 PolarHBondContact O-N 3.37Å; T957-E959 VanDerWaalsContact C-N 3.32Å; E959-R961 VanDerWaalsContact C-N 3.32Å; E959-R961 PolarHBondContact O-N 2.99Å; E959-G962 PolarHBondContact O-N 2.82Å; E959-G962 VanDerWaalsContact O-N 3.16Å; E959-S963 PolarHBondContact O-N 3.46Å
960	S	65.7	Low	58.2	Low	9 Å²	9	81.2 Å²	81.2	6%	0.063	40%	0.403	C	S	.	.	H	α-helix	trans	-64.3	-36.5	179.2	-46	0	0	0	0	112.1	D897 I956 T957	D897-S960 PolarHBondContact OD2-OG 2.98Å; I956-S960 PolarHBondContact O-N 3.21Å; I956-S960 PolarHBondContact O-OG 3.2Å; I956-S960 VanDerWaalsContact O-OG 3.09Å; T957-S960 PolarHBondContact O-N 3.5Å
961	R	67.3	Low	56.4	Low	26 Å²	26	83.5 Å²	83.5	10%	0.098	42%	0.418	C	S	.	.	H	α-helix	trans	-70	-29.9	174	-73.5	175.6	166.5	125.9	3.2	113	V855 V884 D889 M894 T957 E959	V855-R961 PolarHBondContact O-NH1 3.19Å; V884-R961 PolarHBondContact O-NH2 2.95Å; D889-R961 IonicContact OD2-NE 3.64Å; M894-R961 HydrophobicContact CE-CG 3.81Å; T957-R961 WeakPolarHBondContact O-CB 3.18Å; T957-R961 VanDerWaalsContact O-CG 3.24Å; T957-R961 WeakPolarHBondContact O-CG 3.46Å; T957-R961 PolarHBondContact O-N 3.24Å; E959-R961 VanDerWaalsContact C-N 3.32Å; E959-R961 PolarHBondContact O-N 2.99Å
962	G	58.4	Low	54.4	Low	35 Å²	35	83.4 Å²	83.4	36%	0.361	43%	0.434	S	S	.	.	H	α-helix	trans	-82.9	-12	-179.6	0	0	0	0	0	115.5	D958 E959 I964	D958-G962 PolarHBondContact O-N 2.68Å; E959-G962 PolarHBondContact O-N 2.82Å; E959-G962 VanDerWaalsContact O-N 3.16Å; G962-I964 VanDerWaalsContact C-N 3.31Å; G962-I964 PolarHBondContact O-N 3.09Å
963	S	47.7	Very low	52.3	Low	55 Å²	55	94 Å²	94	39%	0.385	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-17.7	-164	85.1	0	0	0	0	115.6	E959	E959-S963 PolarHBondContact O-N 3.46Å
964	I	44.1	Very low	50.2	Low	93 Å²	93	102.1 Å²	102.1	48%	0.477	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-34.8	-178.5	-68.9	164.7	0	0	0	112.1	D888 N890 G962 R966 K967	D888-I964 WeakPolarHBondContact O-CD1 3.33Å; N890-I964 HydrophobicContact CB-CD1 4.42Å; G962-I964 VanDerWaalsContact C-N 3.31Å; G962-I964 PolarHBondContact O-N 3.09Å; I964-R966 PolarHBondContact O-N 3.05Å; I964-K967 PolarHBondContact O-N 2.66Å
965	R	44.2	Very low	48.1	Very low	246 Å²	246	113.3 Å²	113.3	93%	0.928	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	-20.5	179.2	-109.1	-177.8	-177	-175.3	1.7	114.2
966	R	42	Very low	46.4	Very low	237 Å²	237	120.5 Å²	120.5	89%	0.894	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-5.1	177	-78	-175	175.9	172.8	0.2	114.5	I964	I964-R966 PolarHBondContact O-N 3.05Å
967	K	36.7	Very low	44.2	Very low	178 Å²	178	126.2 Å²	126.2	77%	0.774	63%	0.626	S	S	*	*	S	Bend	trans	-101.9	5.8	-174.1	-100.3	-179.1	176.4	178.3	0	116.3	I964 P969	I964-K967 PolarHBondContact O-N 2.66Å; K967-P969 WeakPolarHBondContact O-CD 3.45Å
968	N	31.6	Very low	42.3	Very low	145 Å²	145	132.3 Å²	132.3	78%	0.775	66%	0.663	S	S	*	*			trans	-101.1	104.6	170.6	-95.3	-6.6	0	0	0	111.6	A970	N968-A970 PolarHBondContact O-N 3.28Å
969	P	29.6	Very low	40.4	Very low	129 Å²	129	136.2 Å²	136.2	84%	0.838	69%	0.69	S	S	*	*			trans	-85.1	83.1	173.3	34.2	-29.4	0	0	0	109.1	K967	K967-P969 WeakPolarHBondContact O-CD 3.45Å
970	A	31.7	Very low	38.4	Very low	86 Å²	86	139 Å²	139	71%	0.711	70%	0.703	S	S	*	*			trans	-146.5	51.4	175.6	0	0	0	0	0	112.5	N968	N968-A970 PolarHBondContact O-N 3.28Å
971	N	32	Very low	36.7	Very low	151 Å²	151	148 Å²	148	81%	0.807	74%	0.744	S	S	*	*			trans	-177.5	108.1	147.3	-117.2	-25.7	0	0	0	111.3	R973	N971-R973 PolarHBondContact O-N 3.35Å
972	P	30	Very low	34.7	Very low	128 Å²	128	153.2 Å²	153.2	83%	0.831	78%	0.779	S	S	*	*			trans	-94.5	65.2	176.9	37.4	-30.5	0	0	0	110.2
973	R	29.6	Very low	33.2	Very low	226 Å²	226	156 Å²	156	85%	0.853	80%	0.799	S	S	*	*			trans	-149.1	80.9	170.1	-74	-167.3	175.7	150.2	-1.9	110.8	N971	N971-R973 PolarHBondContact O-N 3.35Å
974	L	31.3	Very low	32	Very low	173 Å²	173	158.5 Å²	158.5	91%	0.906	82%	0.815	S	S	*	*			trans	169.9	78.8	146.7	-109.4	104.8	0	0	0	107.2
975	R	29.1	Very low	31.1	Very low	240 Å²	240	160.3 Å²	160.3	91%	0.906	83%	0.825	S	S	*	*			trans	-102.8	104.8	161.7	-81.9	-167.8	176.2	-174.4	-1.3	107.1
976	L	34.5	Very low	30.2	Very low	172 Å²	172	155.5 Å²	155.5	90%	0.901	82%	0.818	S	S	*	*			trans	-78.1	115.9	159.5	-139.5	83.9	0	0	0	106.5	V978	L976-V978 PolarHBondContact O-N 2.7Å
977	N	27.7	Very low	29.6	Very low	151 Å²	151	153.4 Å²	153.4	81%	0.807	82%	0.819	S	S	*	*			trans	-62.7	123.7	-178.6	-76.8	-21.6	0	0	0	111.7
978	V	33.5	Very low	29	Very low	130 Å²	130	154 Å²	154	79%	0.788	82%	0.824	S	S	*	*			trans	-133	126.5	148.1	-176.8	0	0	0	0	106	L976	L976-V978 PolarHBondContact O-N 2.7Å
979	P	32.4	Very low	28.9	Very low	119 Å²	119	156.1 Å²	156.1	77%	0.773	83%	0.827	S	S	*	*			trans	-74.5	134.2	-171.1	-6.8	23.5	0	0	0	111.7
980	E	27.5	Very low	28.8	Very low	191 Å²	191	156 Å²	156	89%	0.893	83%	0.826	S	S	*	*			trans	-77.1	116.2	160.4	-86.7	177.2	136.3	0	0	108.8
981	E	29.7	Very low	28.7	Very low	198 Å²	198	160.9 Å²	160.9	93%	0.925	83%	0.834	S	S	*	*			trans	-93.8	114.1	159.7	-83.3	-172.4	162.6	0	0	109.6
982	T	25.5	Very low	28.5	Very low	134 Å²	134	162.4 Å²	162.4	82%	0.822	84%	0.836	S	S	*	*			trans	-82.6	140.2	166.3	33.3	0	0	0	0	111.7
983	A	26.1	Very low	28.2	Very low	94 Å²	94	164.4 Å²	164.4	78%	0.777	83%	0.834	S	S	*	*			trans	100.8	134.2	140	0	0	0	0	0	120.3
984	C	23.2	Very low	28.3	Very low	108 Å²	108	160.7 Å²	160.7	73%	0.73	84%	0.836	S	S	*	*			trans	89.2	109.7	150.2	-78	0	0	0	0	120.6
985	D	25.3	Very low	28	Very low	130 Å²	130	159.7 Å²	159.7	70%	0.695	83%	0.827	S	S	*	*				73.9	119.5	125.3	-59.9	-25.6	0	0	0	121.2
986	N	26.2	Very low	28	Very low	146 Å²	146	154.6 Å²	154.6	78%	0.781	82%	0.817	S	S	*	*			trans	83.1	130.4	136.9	-68	-21.1	0	0	0	121.1
987	E	28	Very low	27.8	Very low	192 Å²	192	152.7 Å²	152.7	90%	0.897	81%	0.806	S	S	*	*			trans	85.9	126.1	151.1	-70.6	-165.3	130.9	0	0	121.1
988	E	25.4	Very low	28	Very low	191 Å²	191	153 Å²	153	89%	0.893	80%	0.803	S	S	*	*			trans	-63.8	134.2	175.4	-64.3	170.8	126.8	0	0	112.2
989	K	28	Very low	27.6	Very low	190 Å²	190	154.2 Å²	154.2	83%	0.826	81%	0.805	S	S	*	*			trans	-173.2	135.2	132.9	-105.1	165.2	-175	178.2	0	110.4
990	P	27.7	Very low	27.6	Very low	127 Å²	127	157.1 Å²	157.1	83%	0.825	81%	0.808	S	S	*	*			trans	-91.3	124.7	172.4	33.6	-25.3	0	0	0	109.5
991	E	29.3	Very low	27.6	Very low	187 Å²	187	153.6 Å²	153.6	87%	0.874	81%	0.805	S	S	*	*			trans	-123.7	155.9	164.8	-77.8	-171.3	170.1	0	0	111
992	E	27.7	Very low	27.6	Very low	184 Å²	184	148.9 Å²	148.9	86%	0.86	80%	0.799	S	S	*	*			trans	-70.4	-175.9	-167.2	-62.4	171.8	125.8	0	0	114.4
993	E	25.6	Very low	27.9	Very low	170 Å²	170	147.9 Å²	147.9	79%	0.794	80%	0.795	S	S	*	*			trans	81.2	106	163.4	-63.3	-172.2	142.5	0	0	118.1
994	V	30	Very low	27.9	Very low	147 Å²	147	148.6 Å²	148.6	89%	0.891	79%	0.794	S	S	*	*				-142.7	99.1	126.7	-176.7	0	0	0	0	109.4
995	Q	25.7	Very low	28	Very low	152 Å²	152	149.7 Å²	149.7	71%	0.71	80%	0.802	S	S	*	*			trans	-62	162.6	148.5	-90.3	176.4	-10	0	0	111
996	L	28.7	Very low	28.3	Very low	134 Å²	134	148.6 Å²	148.6	70%	0.702	80%	0.802	S	S	*	*			trans	97.1	132.9	138.8	-85.4	156.1	0	0	0	120.8
997	I	29.9	Very low	28.4	Very low	131 Å²	131	146.9 Å²	146.9	67%	0.672	80%	0.801	S	S	*	*			trans	85.9	125.9	144	-60.2	154	0	0	0	115.1
998	H	32.8	Very low	28.4	Very low	158 Å²	158	143.3 Å²	143.3	73%	0.731	80%	0.798	S	S	*	*			cis	-157.8	132.8	22.8	-123.4	-30.4	0	0	0	110.2
999	D	25.5	Very low	28.8	Very low	156 Å²	156	139.5 Å²	139.5	83%	0.834	79%	0.792	S	S	*	*			trans	-82.6	131.6	142.4	-96.3	-34	0	0	0	107.7
1000	Q	31.9	Very low	29.1	Very low	179 Å²	179	136.3 Å²	136.3	84%	0.836	79%	0.791	S	S	*	*			trans	-171.2	126	138.9	-106.7	170.9	37.8	0	0	112.2
1001	S	27.9	Very low	29.3	Very low	118 Å²	118	136 Å²	136	83%	0.825	79%	0.791	S	S	*	*			trans	-74.2	141.3	171.7	32.6	0	0	0	0	112.5
1002	A	29.8	Very low	29.5	Very low	98 Å²	98	133.5 Å²	133.5	81%	0.81	79%	0.791	S	S	*	*			trans	-163.4	140.6	148.3	0	0	0	0	0	111.9
1003	P	31	Very low	29.7	Very low	114 Å²	114	128.6 Å²	128.6	74%	0.74	79%	0.79	S	S	*	*			trans	-102.6	161.8	-169.9	38.8	-32.3	0	0	0	115
1004	S	25.8	Very low	29.9	Very low	108 Å²	108	129.8 Å²	129.8	76%	0.755	80%	0.796	S	S	*	*			trans	55.6	122.8	151.6	60.8	0	0	0	0	120.8
1005	C	25.7	Very low	29.9	Very low	131 Å²	131	131.8 Å²	131.8	89%	0.885	80%	0.796	S	S	*	*				-170.3	153.2	120.1	-97.8	0	0	0	0	113.3
1006	P	31.2	Very low	30.3	Very low	107 Å²	107	130.7 Å²	130.7	70%	0.695	80%	0.801	S	S	*	*			trans	-112.8	154.6	-165.2	38.2	-25	0	0	0	116
1007	S	28.6	Very low	30.3	Very low	110 Å²	110	133 Å²	133	77%	0.769	81%	0.809	S	S	*	*			trans	63.7	150.2	144.3	69.1	0	0	0	0	123.4
1008	S	29	Very low	30.2	Very low	118 Å²	118	130.5 Å²	130.5	83%	0.825	82%	0.815	S	S	*	*			trans	87.6	134.2	169.2	78.9	0	0	0	0	115.5
1009	S	32.3	Very low	29.9	Very low	111 Å²	111	131.6 Å²	131.6	78%	0.776	82%	0.821	S	S	*	*			cis	-163.5	163.3	21.2	36.1	0	0	0	0	111.2
1010	P	35.1	Very low	30	Very low	122 Å²	122	135.4 Å²	135.4	79%	0.792	82%	0.824	S	S	*	*			trans	-101.7	165.6	-173.3	38.2	-30.2	0	0	0	113.7
1011	S	31.4	Very low	29.7	Very low	120 Å²	120	136.5 Å²	136.5	84%	0.839	83%	0.829	S	S	*	*			trans	-143.8	135.6	165.3	-52	0	0	0	0	110.8
1012	P	33.5	Very low	29.7	Very low	135 Å²	135	137.4 Å²	137.4	88%	0.877	83%	0.829	S	S	*	*			trans	-102.1	159.2	-167.9	38.6	-30.5	0	0	0	113.1
1013	G	32.7	Very low	29.5	Very low	81 Å²	81	140.4 Å²	140.4	84%	0.835	83%	0.832	S	S	*	*			trans	-171.1	94	170.7	0	0	0	0	0	110.8
1014	E	28.8	Very low	29.5	Very low	195 Å²	195	140.3 Å²	140.3	91%	0.911	83%	0.831	S	S	*	*			trans	-69.3	138.6	174.2	-68.2	168.1	136.7	0	0	111.7
1015	E	31.2	Very low	29.6	Very low	190 Å²	190	144.8 Å²	144.8	89%	0.888	84%	0.84	S	S	*	*			trans	-143.2	147.7	143.7	-80.3	-160.6	166.1	0	0	109.3
1016	P	33.9	Very low	30.2	Very low	128 Å²	128	143.8 Å²	143.8	83%	0.831	83%	0.83	S	S	*	*			trans	-95.1	166.7	-141.8	36.1	-35.1	0	0	0	116.1
1017	E	27.6	Very low	30.5	Very low	182 Å²	182	145.4 Å²	145.4	85%	0.85	83%	0.828	S	S	*	*			trans	-59	143.3	-171.7	-62.1	172.1	143.9	0	0	115.7
1018	G	29.1	Very low	31.4	Very low	79 Å²	79	142.8 Å²	142.8	81%	0.814	81%	0.805	S	S	*	*			trans	-124.4	108.5	151.5	0	0	0	0	0	108.2
1019	E	25.6	Very low	32.4	Very low	181 Å²	181	140 Å²	140	85%	0.846	78%	0.783	S	S	*	*			trans	-59	129.4	-174.1	-63.5	166.6	147	0	0	113.5
1020	R	28	Very low	33.4	Very low	237 Å²	237	136.6 Å²	136.6	89%	0.894	75%	0.753	S	S	*	*			trans	-143.5	119	146.5	-76	-167	-176	170.4	1.7	109.3
1021	E	25.5	Very low	34.1	Very low	202 Å²	202	131.6 Å²	131.6	94%	0.944	72%	0.721	S	S	*	*			trans	-55.8	134.1	176.5	-66.5	169.5	137.4	0	0	112.2
1022	T	27.7	Very low	34.4	Very low	137 Å²	137	134 Å²	134	84%	0.84	72%	0.716	S	S	*	*			trans	-127.2	122.5	165.9	43.3	0	0	0	0	109.5
1023	D	26.8	Very low	34.6	Very low	160 Å²	160	133.2 Å²	133.2	86%	0.856	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-57.5	154	176.5	-85.8	-38.9	0	0	0	113.7
1024	P	30.3	Very low	34.5	Very low	113 Å²	113	138 Å²	138	73%	0.734	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-81.2	123.9	-172.4	32.5	-32.3	0	0	0	112.6	V1026	P1024-V1026 PolarHBondContact O-N 3.43Å
1025	E	27.6	Very low	34.4	Very low	201 Å²	201	134.7 Å²	134.7	94%	0.939	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-67.2	121.3	171.5	-117	-178.7	164.7	0	0	111.4
1026	V	38.2	Very low	34.3	Very low	111 Å²	111	131.1 Å²	131.1	67%	0.673	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-94.1	116.2	-176.9	-179.3	0	0	0	0	111.3	P1024	P1024-V1026 PolarHBondContact O-N 3.43Å
1027	H	36.5	Very low	34.1	Very low	141 Å²	141	129.5 Å²	129.5	65%	0.653	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-77.5	122.9	-179	-159.5	-40.8	0	0	0	112.7
1028	L	48.2	Very low	34.3	Very low	55 Å²	55	129.4 Å²	129.4	29%	0.288	69%	0.688	S	S	.	*	P	Polyproline II helix	trans	-97.5	121.4	179.6	-79.2	150.5	0	0	0	112.2
1029	T	49.5	Very low	34.4	Very low	60 Å²	60	135.5 Å²	135.5	37%	0.368	69%	0.692	S	S	.	*			trans	-122.6	158.1	179.4	63	0	0	0	0	112.1	T1031 R1071	T1029-T1031 VanDerWaalsContact C-N 3.27Å; T1029-T1031 PolarHBondContact O-N 3.33Å; T1029-T1031 PolarHBondContact OG1-O 3.08Å; T1029-R1071 PolarHBondContact O-NH1 2.88Å
1030	W	54.1	Low	34.7	Very low	39 Å²	39	134.8 Å²	134.8	15%	0.148	69%	0.694	C	S	.	*	S	Bend	trans	-79.5	-1.6	176.2	-70.4	93	0	0	0	114.4	P1100 Y1109	W1030-P1100 HydrophobicContact CB-CB 3.54Å; W1030-P1100 HydrophobicContact CD2-CB 3.76Å; W1030-P1100 HydrophobicContact CD2-CG 4.45Å; W1030-P1100 HydrophobicContact CE3-CB 4.29Å; W1030-P1100 HydrophobicContact CG-CB 3.44Å; W1030-P1100 VanDerWaalsContact CG-CB 3.44Å; W1030-Y1109 HydrophobicContact CH2-CD2 4.12Å; W1030-Y1109 HydrophobicContact CZ3-CD2 4.37Å
1031	T	49.3	Very low	35.1	Very low	17 Å²	17	133.4 Å²	133.4	10%	0.104	70%	0.695	C	S	.	*	S	Bend	trans	-126.2	167.4	-171.2	48.4	0	0	0	0	114.2	T1029 D1033 N1102 N1104	T1029-T1031 VanDerWaalsContact C-N 3.27Å; T1029-T1031 PolarHBondContact O-N 3.33Å; T1029-T1031 PolarHBondContact OG1-O 3.08Å; T1031-D1033 VanDerWaalsContact C-N 3.3Å; T1031-D1033 PolarHBondContact O-N 2.92Å; T1031-N1102 HydrophobicContact CG2-CB 3.21Å; T1031-N1102 VanDerWaalsContact CG2-ND2 3.32Å; T1031-N1102 WeakPolarHBondContact CG2-ND2 3.49Å; T1031-N1102 PolarHBondContact OG1-ND2 3.32Å; T1031-N1102 VanDerWaalsContact OG1-ND2 3.08Å; T1031-N1104 HydrophobicContact CG2-CB 4.06Å
1032	K	38.9	Very low	35.5	Very low	169 Å²	169	127.4 Å²	127.4	74%	0.735	69%	0.687	S	S	*	*			trans	-81.5	4.9	-170.1	-159.6	173.6	178.9	176.8	0	114.1	K1034	K1032-K1034 PolarHBondContact O-N 3.01Å
1033	D	36.6	Very low	35.9	Very low	120 Å²	120	127.3 Å²	127.3	64%	0.642	69%	0.689	S	S	*	*			trans	-85.9	119.6	-159.6	-63.1	-42.2	0	0	0	114.5	T1031	T1031-D1033 VanDerWaalsContact C-N 3.3Å; T1031-D1033 PolarHBondContact O-N 2.92Å
1034	K	30.1	Very low	36.1	Very low	182 Å²	182	125.3 Å²	125.3	79%	0.791	69%	0.688	S	S	*	*			trans	-59.8	130.1	171.8	-70	172.3	167.7	177.4	0	110.5	K1032 V1036	K1032-K1034 PolarHBondContact O-N 3.01Å; K1034-V1036 HydrophobicContact CB-CG2 3.76Å; K1034-V1036 HydrophobicContact CD-CG2 4.24Å; K1034-V1036 PolarHBondContact O-N 2.86Å
1035	S	28.4	Very low	36.3	Very low	125 Å²	125	125.7 Å²	125.7	87%	0.874	69%	0.69	S	S	*	*			trans	-66.4	77.4	158	45.8	0	0	0	0	110.1	A1037	S1035-A1037 VanDerWaalsContact C-N 3.34Å; S1035-A1037 PolarHBondContact O-N 3.47Å
1036	V	28	Very low	36.5	Very low	115 Å²	115	122.4 Å²	122.4	70%	0.697	68%	0.683	S	S	*	*			trans	-94.6	73.9	164	-172.8	0	0	0	0	107.3	K1034	K1034-V1036 HydrophobicContact CB-CG2 3.76Å; K1034-V1036 HydrophobicContact CD-CG2 4.24Å; K1034-V1036 PolarHBondContact O-N 2.86Å
1037	A	29.6	Very low	36.2	Very low	93 Å²	93	122.5 Å²	122.5	77%	0.769	69%	0.689	S	S	*	*			trans	-142.2	42.5	170.8	0	0	0	0	0	110.2	S1035	S1035-A1037 VanDerWaalsContact C-N 3.34Å; S1035-A1037 PolarHBondContact O-N 3.47Å
1038	E	31.5	Very low	35.9	Very low	180 Å²	180	120.1 Å²	120.1	84%	0.841	69%	0.688	S	S	*	*	S	Bend	trans	-160.8	132.3	162.4	-110.8	174.2	-174.3	0	0	107.3
1039	K	32.3	Very low	35.2	Very low	207 Å²	207	126.4 Å²	126.4	90%	0.9	72%	0.716	S	S	*	*			trans	82.5	62.5	-173.9	-57.3	179.9	175.4	174.5	0	117.3
1040	N	30.9	Very low	34.4	Very low	167 Å²	167	127 Å²	127	89%	0.893	73%	0.733	S	S	*	*			trans	-101.4	91.5	142.7	-95.7	-15.5	0	0	0	108.9
1041	K	36.8	Very low	33.3	Very low	207 Å²	207	133 Å²	133	90%	0.9	77%	0.767	S	S	*	*			trans	-140.2	98.8	160.7	-104	-174.9	178.4	178	0	109
1042	G	34	Very low	32.5	Very low	76 Å²	76	140.8 Å²	140.8	78%	0.784	80%	0.799	S	S	*	*			trans	73.1	123.9	149.8	0	0	0	0	0	119.1
1043	P	35.7	Very low	32.4	Very low	136 Å²	136	138.9 Å²	138.9	88%	0.883	80%	0.797	S	S	*	*			trans	-96.6	143.5	172.9	36	-27.7	0	0	0	112.2
1044	S	31	Very low	32.1	Very low	118 Å²	118	143.1 Å²	143.1	83%	0.825	81%	0.81	S	S	*	*			trans	-145	132.6	161.5	55.1	0	0	0	0	110.2
1045	P	35.5	Very low	32.2	Very low	120 Å²	120	144.1 Å²	144.1	78%	0.779	82%	0.815	S	S	*	*			trans	-118.3	163.9	-164.2	42.6	-30.5	0	0	0	116
1046	V	32	Very low	32.4	Very low	132 Å²	132	143 Å²	143	80%	0.8	81%	0.807	S	S	*	*			trans	88.2	138.6	150.8	-158.6	0	0	0	0	121.2
1047	S	31	Very low	32.6	Very low	113 Å²	113	147.1 Å²	147.1	79%	0.79	82%	0.821	S	S	*	*			trans	96.7	142.3	152.9	75	0	0	0	0	116.9
1048	S	31.1	Very low	32.7	Very low	91 Å²	91	149.8 Å²	149.8	64%	0.636	82%	0.815	S	S	*	*			cis	-164.6	158.2	-15.5	-165.1	0	0	0	0	107.3
1049	E	32.8	Very low	33	Very low	188 Å²	188	145 Å²	145	88%	0.879	80%	0.8	S	S	*	*			trans	67	134.2	148.2	-80.9	156.4	-134.9	0	0	123.2
1050	G	32.8	Very low	33	Very low	71 Å²	71	144.1 Å²	144.1	73%	0.732	80%	0.799	S	S	*	*			trans	155.7	60.1	158	0	0	0	0	0	118.4
1051	I	30.6	Very low	33.3	Very low	165 Å²	165	145.4 Å²	145.4	85%	0.846	79%	0.791	S	S	*	*			trans	17.5	113.4	145.5	-53.9	164.8	0	0	0	117.3
1052	K	34	Very low	33.1	Very low	181 Å²	181	142.6 Å²	142.6	79%	0.787	78%	0.782	S	S	*	*				-177.5	129.2	129.1	-103	173.7	-179.1	179	0	114.1
1053	D	35.2	Very low	33.4	Very low	130 Å²	130	146.3 Å²	146.3	70%	0.695	78%	0.783	S	S	*	*			trans	83.5	102.3	139.5	-53.8	-23.2	0	0	0	121.3	F1055	D1053-F1055 PolarHBondContact O-N 3.41Å
1054	F	30.3	Very low	33.4	Very low	209 Å²	209	146.1 Å²	146.1	92%	0.917	77%	0.774	S	S	*	*	S	Bend	trans	-57	52.4	163	-105.2	-97.6	0	0	0	114
1055	F	33.8	Very low	34.4	Very low	203 Å²	203	143.6 Å²	143.6	89%	0.89	75%	0.752	S	S	*	*			trans	-154.1	70.6	171.4	-86.6	-78.4	0	0	0	112.1	D1053	D1053-F1055 PolarHBondContact O-N 3.41Å
1056	S	32.5	Very low	35.2	Very low	101 Å²	101	145.1 Å²	145.1	71%	0.706	75%	0.748	S	S	*	*			trans	-159.9	80.7	159.7	63.6	0	0	0	0	111.5	K1058	S1056-K1058 PolarHBondContact O-N 3.18Å
1057	M	30.4	Very low	36.3	Very low	201 Å²	201	140.4 Å²	140.4	99%	0.99	72%	0.721	S	S	*	*			trans	-75.6	82.1	162.7	-160.3	153.2	100	0	0	107.4
1058	K	31.7	Very low	37.7	Very low	149 Å²	149	137 Å²	137	65%	0.648	69%	0.694	S	S	*	*			trans	-81.1	123.8	175.3	-117.2	-169.4	173.6	-147.1	0	108.5	S1056 E1062	S1056-K1058 PolarHBondContact O-N 3.18Å; K1058-E1062 IonicContact NZ-OE1 2.65Å; K1058-E1062 IonicContact NZ-OE2 3.27Å; K1058-E1062 PolarHBondContact NZ-OE2 3.49Å
1059	P	38.5	Very low	39.1	Very low	79 Å²	79	136.7 Å²	136.7	51%	0.513	69%	0.688	S	S	.	*			trans	-84.2	145.2	-172.2	34.7	-35.5	0	0	0	112.2	W1061	P1059-W1061 VanDerWaalsContact CB-NE1 3.34Å; P1059-W1061 PolarHBondContact O-N 3.37Å
1060	E	32.1	Very low	40.4	Very low	190 Å²	190	134 Å²	134	89%	0.888	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-54.5	9.9	-171.1	-81.3	177	123.3	0	0	118.4
1061	W	37.4	Very low	41.8	Very low	193 Å²	193	131.5 Å²	131.5	73%	0.731	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-84.4	-14.5	-169.6	-40.6	103.2	0	0	0	115.3	P1059 N1063	P1059-W1061 VanDerWaalsContact CB-NE1 3.34Å; P1059-W1061 PolarHBondContact O-N 3.37Å; W1061-N1063 PolarHBondContact O-N 3.05Å; W1061-N1063 VanDerWaalsContact O-N 3.16Å
1062	E	33.6	Very low	43.7	Very low	149 Å²	149	126 Å²	126	70%	0.696	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-74.3	-1.3	-173.4	-74.5	-180	153.6	0	0	114.3	K1058	K1058-E1062 IonicContact NZ-OE1 2.65Å; K1058-E1062 IonicContact NZ-OE2 3.27Å; K1058-E1062 PolarHBondContact NZ-OE2 3.49Å
1063	N	39.1	Very low	45.7	Very low	153 Å²	153	121.5 Å²	121.5	82%	0.818	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-112.9	16.7	-178	-79.8	-31.1	0	0	0	115.6	W1061 N1065	W1061-N1063 PolarHBondContact O-N 3.05Å; W1061-N1063 VanDerWaalsContact O-N 3.16Å; N1063-N1065 PolarHBondContact O-N 2.94Å
1064	L	35.9	Very low	47.7	Very low	132 Å²	132	115.5 Å²	115.5	69%	0.691	56%	0.559	S	S	*	*	S	Bend	trans	-86.8	102.7	175.4	-84.6	148.8	0	0	0	112.3
1065	N	53.1	Low	50.2	Low	66 Å²	66	105.5 Å²	105.5	35%	0.353	52%	0.516	S	S	.	.			trans	-27.4	122.6	-179	-75.6	-17.5	0	0	0	120.1	N1063 S1067 N1068 V1069	N1063-N1065 PolarHBondContact O-N 2.94Å; N1065-S1067 VanDerWaalsContact C-N 3.3Å; N1065-S1067 PolarHBondContact O-N 3.17Å; N1065-N1068 HydrophobicContact CB-CB 4.47Å; N1065-N1068 PolarHBondContact O-N 2.87Å; N1065-V1069 VanDerWaalsContact O-CG2 3.26Å; N1065-V1069 WeakPolarHBondContact O-CG2 3.46Å; N1065-V1069 PolarHBondContact O-N 3.24Å
1066	Q	51.1	Low	52.8	Low	151 Å²	151	98.7 Å²	98.7	71%	0.706	49%	0.49	S	S	*	.	H	α-helix	trans	-54.4	-33	171.7	-80.1	-178.2	-1	0	0	115.2	R1070	Q1066-R1070 WeakPolarHBondContact O-CB 3.38Å; Q1066-R1070 VanDerWaalsContact O-CG 3.27Å; Q1066-R1070 WeakPolarHBondContact O-CG 3.41Å; Q1066-R1070 PolarHBondContact O-N 2.93Å
1067	S	54.6	Low	55.4	Low	33 Å²	33	99.1 Å²	99.1	23%	0.231	48%	0.477	C	S	.	.	H	α-helix	trans	-73	-42.5	-176.8	54	0	0	0	0	113.5	N1065 R1070 R1071	N1065-S1067 VanDerWaalsContact C-N 3.3Å; N1065-S1067 PolarHBondContact O-N 3.17Å; S1067-R1070 PolarHBondContact O-N 3.41Å; S1067-R1071 PolarHBondContact O-N 3Å
1068	N	60.5	Low	58.1	Low	42 Å²	42	89.6 Å²	89.6	23%	0.225	43%	0.43	C	S	.	.	H	α-helix	trans	-68.1	-41.3	174.2	-75.3	-10	0	0	0	110.9	N1065 R1070 R1071 M1072	N1065-N1068 HydrophobicContact CB-CB 4.47Å; N1065-N1068 PolarHBondContact O-N 2.87Å; N1068-R1070 VanDerWaalsContact C-N 3.34Å; N1068-R1070 PolarHBondContact O-N 3.07Å; N1068-R1071 PolarHBondContact O-N 3.47Å; N1068-M1072 WeakPolarHBondContact O-CG 3.04Å; N1068-M1072 PolarHBondContact O-N 3.03Å
1069	V	61.6	Low	61	Low	85 Å²	85	83.1 Å²	83.1	52%	0.515	40%	0.402	S	S	.	.	H	α-helix	trans	-61.2	-42.8	176.2	175.9	0	0	0	0	110.9	N1065 R1071 M1072 H1073	N1065-V1069 VanDerWaalsContact O-CG2 3.26Å; N1065-V1069 WeakPolarHBondContact O-CG2 3.46Å; N1065-V1069 PolarHBondContact O-N 3.24Å; V1069-R1071 PolarHBondContact O-N 3.15Å; V1069-M1072 PolarHBondContact O-N 3.25Å; V1069-H1073 WeakPolarHBondContact O-CB 3.36Å; V1069-H1073 PolarHBondContact O-N 3.33Å
1070	R	59.4	Low	63.5	Low	132 Å²	132	84.1 Å²	84.1	50%	0.498	40%	0.4	S	S	.	.	H	α-helix	trans	-62.7	-40.7	177	-80.3	179	-175.1	-174.4	2.9	112.7	Q1066 S1067 N1068 H1073 T1074	Q1066-R1070 WeakPolarHBondContact O-CB 3.38Å; Q1066-R1070 VanDerWaalsContact O-CG 3.27Å; Q1066-R1070 WeakPolarHBondContact O-CG 3.41Å; Q1066-R1070 PolarHBondContact O-N 2.93Å; S1067-R1070 PolarHBondContact O-N 3.41Å; N1068-R1070 VanDerWaalsContact C-N 3.34Å; N1068-R1070 PolarHBondContact O-N 3.07Å; R1070-H1073 WeakPolarHBondContact O-CB 3.24Å; R1070-H1073 PolarHBondContact O-N 3.44Å; R1070-T1074 PolarHBondContact O-N 3.24Å; R1070-T1074 PolarHBondContact O-OG1 2.87Å
1071	R	63.2	Low	66.3	Low	17 Å²	17	77 Å²	77	6%	0.064	37%	0.37	C	S	.	.	H	α-helix	trans	-72.4	-34.8	177.8	-72.7	-177.8	177.4	169.7	-3.4	113.6	T1029 S1067 N1068 V1069 H1073 T1074 A1075 F1112	T1029-R1071 PolarHBondContact O-NH1 2.88Å; S1067-R1071 PolarHBondContact O-N 3Å; N1068-R1071 PolarHBondContact O-N 3.47Å; V1069-R1071 PolarHBondContact O-N 3.15Å; R1071-H1073 VanDerWaalsContact C-N 3.31Å; R1071-T1074 WeakPolarHBondContact O-CB 3.38Å; R1071-T1074 PolarHBondContact O-N 3.19Å; R1071-A1075 PolarHBondContact O-N 2.82Å; R1071-F1112 WeakPolarHBondContact O-CD2 3.3Å; R1071-F1112 WeakPolarHBondContact O-CE2 3.35Å
1072	M	70.6	Confident	69	Low	49 Å²	49	67.9 Å²	67.9	24%	0.241	34%	0.335	C	S	.	.	H	α-helix	trans	-64.1	-41.1	169.4	-70.4	-63.5	148.7	0	0	110.4	N1068 V1069 T1074 A1075 V1076 N1108 E1111 F1112 V1115	N1068-M1072 WeakPolarHBondContact O-CG 3.04Å; N1068-M1072 PolarHBondContact O-N 3.03Å; V1069-M1072 PolarHBondContact O-N 3.25Å; M1072-T1074 PolarHBondContact O-N 3.02Å; M1072-A1075 PolarHBondContact O-N 2.85Å; M1072-V1076 VanDerWaalsContact O-CG2 3.26Å; M1072-V1076 WeakPolarHBondContact O-CG2 3.39Å; M1072-V1076 PolarHBondContact O-N 3.28Å; M1072-N1108 WeakPolarHBondContact CE-O 3.25Å; M1072-E1111 HydrophobicContact CE-CB 3.55Å; M1072-E1111 HydrophobicContact SD-CB 4.32Å; M1072-F1112 HydrophobicContact CE-CB 4.24Å; M1072-V1115 HydrophobicContact SD-CG2 4.38Å
1073	H	75.6	Confident	71.8	Confident	88 Å²	88	61.6 Å²	61.6	41%	0.407	31%	0.307	S	S	.	.	H	α-helix	trans	-60.3	-43.1	173.4	-175.7	-87.3	0	0	0	112	V1069 R1070 R1071 V1076 R1077	V1069-H1073 WeakPolarHBondContact O-CB 3.36Å; V1069-H1073 PolarHBondContact O-N 3.33Å; R1070-H1073 WeakPolarHBondContact O-CB 3.24Å; R1070-H1073 PolarHBondContact O-N 3.44Å; R1071-H1073 VanDerWaalsContact C-N 3.31Å; H1073-V1076 PolarHBondContact O-N 3.39Å; H1073-R1077 PolarHBondContact NE2-NE 3.39Å; H1073-R1077 WeakPolarHBondContact O-CB 3.42Å; H1073-R1077 VanDerWaalsContact O-CG 3.28Å; H1073-R1077 WeakPolarHBondContact O-CG 3.47Å; H1073-R1077 PolarHBondContact O-N 3.2Å
1074	T	77.3	Confident	74.4	Confident	3 Å²	3	61 Å²	61	2%	0.018	30%	0.304	C	S	.	.	H	α-helix	trans	-55.2	-50.7	171.8	-56.3	0	0	0	0	111.5	S919 D920 R1070 R1071 M1072 R1077 L1078 F1112	S919-T1074 PolarHBondContact O-OG1 3.02Å; D920-T1074 WeakPolarHBondContact O-CG2 3.44Å; R1070-T1074 PolarHBondContact O-N 3.24Å; R1070-T1074 PolarHBondContact O-OG1 2.87Å; R1071-T1074 WeakPolarHBondContact O-CB 3.38Å; R1071-T1074 PolarHBondContact O-N 3.19Å; M1072-T1074 PolarHBondContact O-N 3.02Å; T1074-R1077 PolarHBondContact O-N 3.38Å; T1074-L1078 WeakPolarHBondContact O-CB 3.36Å; T1074-L1078 PolarHBondContact O-N 3.27Å; T1074-F1112 HydrophobicContact CG2-CE2 4.39Å
1075	A	83	Confident	77.1	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.1	-44.1	179.3	0	0	0	0	0	112.4	R1071 M1072 N1079 F1112 V1115	R1071-A1075 PolarHBondContact O-N 2.82Å; M1072-A1075 PolarHBondContact O-N 2.85Å; A1075-N1079 VanDerWaalsContact O-CB 3.23Å; A1075-N1079 WeakPolarHBondContact O-CB 3.39Å; A1075-N1079 PolarHBondContact O-N 3.26Å; A1075-F1112 HydrophobicContact CB-CD2 3.67Å; A1075-F1112 HydrophobicContact CB-CE2 3.67Å; A1075-F1112 HydrophobicContact CB-CG 4.22Å; A1075-F1112 HydrophobicContact CB-CZ 4.21Å; A1075-V1115 HydrophobicContact CB-CB 4.18Å; A1075-V1115 HydrophobicContact CB-CG1 3.82Å
1076	V	87.4	Confident	79	Confident	59 Å²	59	54.5 Å²	54.5	36%	0.358	27%	0.267	S	S	.	.	H	α-helix	trans	-61.9	-49.5	178.4	171.8	0	0	0	0	110.6	M1072 H1073 L1078 N1079 E1080 V1115	M1072-V1076 VanDerWaalsContact O-CG2 3.26Å; M1072-V1076 WeakPolarHBondContact O-CG2 3.39Å; M1072-V1076 PolarHBondContact O-N 3.28Å; H1073-V1076 PolarHBondContact O-N 3.39Å; V1076-L1078 PolarHBondContact O-N 2.9Å; V1076-N1079 PolarHBondContact O-N 2.84Å; V1076-E1080 HydrophobicContact CG1-CG 4.38Å; V1076-E1080 WeakPolarHBondContact O-CG 3.38Å; V1076-E1080 PolarHBondContact O-N 3.04Å; V1076-V1115 HydrophobicContact CB-CG1 4.48Å; V1076-V1115 HydrophobicContact CG2-CG1 3.61Å
1077	R	86.7	Confident	80.9	Confident	111 Å²	111	54.7 Å²	54.7	42%	0.419	26%	0.261	S	S	.	.	H	α-helix	trans	-61.3	-44.4	179.7	-72.4	-59.8	-172.7	-180	7.5	112.5	H1073 T1074 E1080 V1081	H1073-R1077 PolarHBondContact NE2-NE 3.39Å; H1073-R1077 WeakPolarHBondContact O-CB 3.42Å; H1073-R1077 VanDerWaalsContact O-CG 3.28Å; H1073-R1077 WeakPolarHBondContact O-CG 3.47Å; H1073-R1077 PolarHBondContact O-N 3.2Å; T1074-R1077 PolarHBondContact O-N 3.38Å; R1077-E1080 IonicContact CZ-OE2 3.54Å; R1077-E1080 IonicContact NH1-OE2 2.98Å; R1077-E1080 PolarHBondContact NH1-OE2 3.45Å; R1077-E1080 VanDerWaalsContact NH1-OE2 3.08Å; R1077-E1080 PolarHBondContact O-N 2.74Å; R1077-V1081 WeakPolarHBondContact O-CG2 3.41Å; R1077-V1081 PolarHBondContact O-N 2.75Å
1078	L	87.8	Confident	82.6	Confident	0 Å²	0	60 Å²	60	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-65.2	-41.8	177.4	-173.9	61.6	0	0	0	111	I854 M916 Y924 T1074 V1076 V1081 I1082 L1116	I854-L1078 HydrophobicContact CD1-CD2 3.91Å; M916-L1078 HydrophobicContact CE-CB 4.41Å; M916-L1078 HydrophobicContact CE-CD1 3.99Å; M916-L1078 HydrophobicContact SD-CD1 3.55Å; M916-L1078 VanDerWaalsContact SD-CD1 3.55Å; Y924-L1078 HydrophobicContact CE2-CD2 3.88Å; T1074-L1078 WeakPolarHBondContact O-CB 3.36Å; T1074-L1078 PolarHBondContact O-N 3.27Å; V1076-L1078 PolarHBondContact O-N 2.9Å; L1078-V1081 PolarHBondContact O-N 3.27Å; L1078-I1082 HydrophobicContact CD1-CD1 4.41Å; L1078-I1082 HydrophobicContact CG-CD1 3.97Å; L1078-I1082 VanDerWaalsContact O-CG1 3.26Å; L1078-I1082 WeakPolarHBondContact O-CG1 3.44Å; L1078-I1082 PolarHBondContact O-N 3.5Å; L1078-L1116 HydrophobicContact CB-CD1 4.09Å; L1078-L1116 HydrophobicContact CD2-CD1 3.52Å; L1078-L1116 HydrophobicContact CG-CD1 3.76Å
1079	N	91.8	Very high	84.2	Confident	13 Å²	13	58.3 Å²	58.3	7%	0.07	28%	0.278	C	S	.	.	H	α-helix	trans	-64.9	-43.2	176.8	-170.5	37.8	0	0	0	112.7	A1075 V1076 V1081 I1082 V1083 V1115 L1116 E1118	A1075-N1079 VanDerWaalsContact O-CB 3.23Å; A1075-N1079 WeakPolarHBondContact O-CB 3.39Å; A1075-N1079 PolarHBondContact O-N 3.26Å; V1076-N1079 PolarHBondContact O-N 2.84Å; N1079-V1081 PolarHBondContact O-N 2.83Å; N1079-I1082 PolarHBondContact O-N 2.83Å; N1079-I1082 VanDerWaalsContact O-N 3.1Å; N1079-V1083 WeakPolarHBondContact O-CB 3.28Å; N1079-V1083 WeakPolarHBondContact O-CG2 3.18Å; N1079-V1083 PolarHBondContact O-N 3.28Å; N1079-V1083 VanDerWaalsContact OD1-CG2 3.32Å; N1079-V1083 WeakPolarHBondContact OD1-CG2 2.96Å; N1079-V1115 WeakPolarHBondContact CB-O 3.29Å; N1079-V1115 PolarHBondContact ND2-O 3.49Å; N1079-L1116 PolarHBondContact OD1-O 3.19Å; N1079-L1116 VanDerWaalsContact OD1-O 3.08Å; N1079-E1118 PolarHBondContact ND2-O 2.97Å; N1079-E1118 PolarHBondContact OD1-O 2.72Å
1080	E	91.4	Very high	85.7	Confident	100 Å²	100	57.8 Å²	57.8	47%	0.467	27%	0.269	S	S	.	.	H	α-helix	trans	-51.6	-44.4	175.5	-78.8	174.1	177.3	0	0	111	V1076 R1077 N1084	V1076-E1080 HydrophobicContact CG1-CG 4.38Å; V1076-E1080 WeakPolarHBondContact O-CG 3.38Å; V1076-E1080 PolarHBondContact O-N 3.04Å; R1077-E1080 IonicContact CZ-OE2 3.54Å; R1077-E1080 IonicContact NH1-OE2 2.98Å; R1077-E1080 PolarHBondContact NH1-OE2 3.45Å; R1077-E1080 VanDerWaalsContact NH1-OE2 3.08Å; R1077-E1080 PolarHBondContact O-N 2.74Å; E1080-N1084 VanDerWaalsContact O-CB 3.22Å; E1080-N1084 WeakPolarHBondContact O-CB 3.5Å; E1080-N1084 PolarHBondContact O-N 2.87Å; E1080-N1084 VanDerWaalsContact O-N 3.08Å
1081	V	91.7	Very high	87.4	Confident	42 Å²	42	51.5 Å²	51.5	26%	0.255	25%	0.245	S	C	.	.	H	α-helix	trans	-70.1	-42.2	179.2	174.9	0	0	0	0	111.9	W852 V914 R1077 L1078 N1079 K1085	W852-V1081 HydrophobicContact CH2-CG1 3.8Å; W852-V1081 HydrophobicContact CZ3-CG1 4.13Å; V914-V1081 HydrophobicContact CG1-CG1 3.87Å; R1077-V1081 WeakPolarHBondContact O-CG2 3.41Å; R1077-V1081 PolarHBondContact O-N 2.75Å; L1078-V1081 PolarHBondContact O-N 3.27Å; N1079-V1081 PolarHBondContact O-N 2.83Å; V1081-K1085 PolarHBondContact O-N 2.95Å
1082	I	92.9	Very high	89	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-63.8	-51.1	178.1	-67.2	166.6	0	0	0	110.5	W852 L1078 N1079 N1084 K1085 S1086 V1092 L1094 L1116 L1120	W852-I1082 HydrophobicContact CD2-CD1 4.49Å; W852-I1082 HydrophobicContact CD2-CG1 3.73Å; W852-I1082 HydrophobicContact CE3-CG1 3.91Å; W852-I1082 HydrophobicContact CG-CG1 4.27Å; W852-I1082 HydrophobicContact CH2-CG1 4.17Å; W852-I1082 HydrophobicContact CZ2-CB 4.23Å; W852-I1082 HydrophobicContact CZ2-CG1 4.01Å; W852-I1082 HydrophobicContact CZ2-CG2 4.49Å; W852-I1082 HydrophobicContact CZ3-CG1 4.12Å; L1078-I1082 HydrophobicContact CD1-CD1 4.41Å; L1078-I1082 HydrophobicContact CG-CD1 3.97Å; L1078-I1082 VanDerWaalsContact O-CG1 3.26Å; L1078-I1082 WeakPolarHBondContact O-CG1 3.44Å; L1078-I1082 PolarHBondContact O-N 3.5Å; N1079-I1082 PolarHBondContact O-N 2.83Å; N1079-I1082 VanDerWaalsContact O-N 3.1Å; I1082-N1084 VanDerWaalsContact C-N 3.32Å; I1082-N1084 PolarHBondContact O-N 2.76Å; I1082-K1085 PolarHBondContact O-N 3.26Å; I1082-S1086 WeakPolarHBondContact O-CA 3.36Å; I1082-S1086 VanDerWaalsContact O-CB 3.28Å; I1082-S1086 WeakPolarHBondContact O-CB 3.43Å; I1082-S1086 PolarHBondContact O-N 3.13Å; I1082-V1092 HydrophobicContact CG2-CG1 4.4Å; I1082-L1094 HydrophobicContact CD1-CD1 4.41Å; I1082-L1116 HydrophobicContact CD1-CD1 4.01Å; I1082-L1120 HydrophobicContact CG2-CD1 3.82Å; I1082-L1120 HydrophobicContact CG2-CD2 4.34Å
1083	V	93.5	Very high	90.2	Very high	18 Å²	18	48.5 Å²	48.5	11%	0.109	23%	0.232	C	C	.	.	H	α-helix	trans	-61	-42.4	-179.4	172.8	0	0	0	0	110.7	N1079 K1085 S1086 R1087 E1118 Q1119 L1120	N1079-V1083 WeakPolarHBondContact O-CB 3.28Å; N1079-V1083 WeakPolarHBondContact O-CG2 3.18Å; N1079-V1083 PolarHBondContact O-N 3.28Å; N1079-V1083 VanDerWaalsContact OD1-CG2 3.32Å; N1079-V1083 WeakPolarHBondContact OD1-CG2 2.96Å; V1083-K1085 PolarHBondContact O-N 3.36Å; V1083-K1085 VanDerWaalsContact O-N 3.13Å; V1083-S1086 PolarHBondContact O-N 2.86Å; V1083-R1087 HydrophobicContact CG1-CB 4.28Å; V1083-R1087 WeakPolarHBondContact O-CB 3.47Å; V1083-R1087 PolarHBondContact O-N 2.84Å; V1083-R1087 VanDerWaalsContact O-N 3.1Å; V1083-E1118 WeakPolarHBondContact CG2-O 2.94Å; V1083-Q1119 HydrophobicContact CG1-CB 4.47Å; V1083-Q1119 HydrophobicContact CG2-CB 4.3Å; V1083-L1120 HydrophobicContact CG2-CD2 4.09Å; V1083-L1120 HydrophobicContact CG2-CG 4.43Å
1084	N	93.6	Very high	91.1	Very high	140 Å²	140	44.3 Å²	44.3	75%	0.749	21%	0.212	S	C	*	.	H	α-helix	trans	-57	-31.9	179.3	-169.7	23.4	0	0	0	113.1	E1080 I1082	E1080-N1084 VanDerWaalsContact O-CB 3.22Å; E1080-N1084 WeakPolarHBondContact O-CB 3.5Å; E1080-N1084 PolarHBondContact O-N 2.87Å; E1080-N1084 VanDerWaalsContact O-N 3.08Å; I1082-N1084 VanDerWaalsContact C-N 3.32Å; I1082-N1084 PolarHBondContact O-N 2.76Å
1085	K	92.6	Very high	91.7	Very high	60 Å²	60	44.2 Å²	44.2	26%	0.261	21%	0.212	S	C	.	.	H	α-helix	trans	-103.3	-28.2	-177.9	-64.4	-169.8	174.8	-165.6	0	114.9	W852 R880 F882 E912 V1081 I1082 V1083	W852-K1085 HydrophobicContact CH2-CD 4.11Å; W852-K1085 HydrophobicContact CZ2-CB 4.09Å; W852-K1085 HydrophobicContact CZ2-CD 4.26Å; R880-K1085 PolarHBondContact NH2-O 3.28Å; F882-K1085 HydrophobicContact CD1-CD 3.98Å; F882-K1085 HydrophobicContact CE1-CB 4.33Å; F882-K1085 HydrophobicContact CE1-CD 3.78Å; F882-K1085 HydrophobicContact CZ-CB 4.41Å; E912-K1085 IonicContact OE1-NZ 2.77Å; E912-K1085 PolarHBondContact OE1-NZ 3.23Å; E912-K1085 IonicContact OE2-NZ 3.65Å; E912-K1085 PolarHBondContact OE2-NZ 2.98Å; V1081-K1085 PolarHBondContact O-N 2.95Å; I1082-K1085 PolarHBondContact O-N 3.26Å; V1083-K1085 PolarHBondContact O-N 3.36Å; V1083-K1085 VanDerWaalsContact O-N 3.13Å
1086	S	93.7	Very high	92.1	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.007	21%	0.213	C	C	.	.	H	α-helix	trans	-121.4	7.3	-165.7	-63.2	0	0	0	0	114.4	D850 W852 I1082 V1083 D1088 A1089	D850-S1086 WeakPolarHBondContact OD2-CA 3.5Å; D850-S1086 WeakPolarHBondContact OD2-CB 3.28Å; D850-S1086 PolarHBondContact OD2-OG 2.03Å; W852-S1086 PolarHBondContact NE1-OG 2.92Å; I1082-S1086 WeakPolarHBondContact O-CA 3.36Å; I1082-S1086 VanDerWaalsContact O-CB 3.28Å; I1082-S1086 WeakPolarHBondContact O-CB 3.43Å; I1082-S1086 PolarHBondContact O-N 3.13Å; V1083-S1086 PolarHBondContact O-N 2.86Å; S1086-D1088 VanDerWaalsContact C-N 3.29Å; S1086-D1088 PolarHBondContact O-N 3.44Å; S1086-A1089 VanDerWaalsContact O-CB 3.22Å; S1086-A1089 WeakPolarHBondContact O-CB 3.5Å; S1086-A1089 PolarHBondContact O-N 2.98Å; S1086-A1089 VanDerWaalsContact O-N 3.1Å
1087	R	90.7	Very high	92	Very high	156 Å²	156	41.9 Å²	41.9	59%	0.589	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-42.2	177.1	-177	176.4	-176.1	179	2.2	113.6	V1083 A1089	V1083-R1087 HydrophobicContact CG1-CB 4.28Å; V1083-R1087 WeakPolarHBondContact O-CB 3.47Å; V1083-R1087 PolarHBondContact O-N 2.84Å; V1083-R1087 VanDerWaalsContact O-N 3.1Å; R1087-A1089 VanDerWaalsContact C-N 3.33Å
1088	D	90.5	Very high	91.8	Very high	144 Å²	144	36.9 Å²	36.9	77%	0.77	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	1.1	-178.3	-61.7	-32.7	0	0	0	113.5	S1086	S1086-D1088 VanDerWaalsContact C-N 3.29Å; S1086-D1088 PolarHBondContact O-N 3.44Å
1089	A	92.9	Very high	91.7	Very high	6 Å²	6	37.8 Å²	37.8	5%	0.05	19%	0.187	C	C	.	.			trans	-67	142.4	-179.1	0	0	0	0	0	110.8	D850 S1086 R1087 L1091 V1092	D850-A1089 HydrophobicContact CB-CB 4.04Å; D850-A1089 VanDerWaalsContact CG-CB 3.5Å; D850-A1089 WeakPolarHBondContact OD2-CB 3.15Å; S1086-A1089 VanDerWaalsContact O-CB 3.22Å; S1086-A1089 WeakPolarHBondContact O-CB 3.5Å; S1086-A1089 PolarHBondContact O-N 2.98Å; S1086-A1089 VanDerWaalsContact O-N 3.1Å; R1087-A1089 VanDerWaalsContact C-N 3.33Å; A1089-L1091 VanDerWaalsContact C-N 3.3Å; A1089-L1091 PolarHBondContact O-N 3.31Å; A1089-V1092 HydrophobicContact CB-CG2 4Å
1090	K	93.7	Very high	91.1	Very high	74 Å²	74	37.2 Å²	37.2	32%	0.322	18%	0.184	S	C	.	.	S	Bend	trans	-74.5	-25	179.8	-63.1	-57.8	-178.5	-163	0	112.3	F844 S848 W874 R1122	F844-K1090 HydrophobicContact CD1-CD 4.29Å; F844-K1090 HydrophobicContact CE1-CD 4.28Å; S848-K1090 PolarHBondContact O-N 2.83Å; W874-K1090 HydrophobicContact CZ3-CB 4.2Å; K1090-R1122 VanDerWaalsContact O-CD 3.26Å; K1090-R1122 WeakPolarHBondContact O-CD 3.49Å; K1090-R1122 PolarHBondContact O-NH1 3.43Å
1091	L	95	Very high	90.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	132.2	175.6	-179.5	65	0	0	0	109.2	F837 I849 D850 L868 W874 A1089 L1093 R1122 M1124	F837-L1091 HydrophobicContact CE1-CD1 3.74Å; F837-L1091 HydrophobicContact CZ-CD1 3.65Å; I849-L1091 WeakPolarHBondContact CA-O 3.49Å; I849-L1091 HydrophobicContact CG1-CB 4.47Å; I849-L1091 HydrophobicContact CG2-CB 4.4Å; I849-L1091 HydrophobicContact CG2-CD2 4.31Å; D850-L1091 PolarHBondContact N-O 2.9Å; L868-L1091 HydrophobicContact CD1-CD2 4.06Å; W874-L1091 HydrophobicContact CH2-CB 3.84Å; W874-L1091 HydrophobicContact CH2-CD2 4.06Å; W874-L1091 HydrophobicContact CH2-CG 4.4Å; W874-L1091 HydrophobicContact CZ2-CD2 4.49Å; W874-L1091 HydrophobicContact CZ3-CB 3.67Å; W874-L1091 HydrophobicContact CZ3-CD2 4.22Å; A1089-L1091 VanDerWaalsContact C-N 3.3Å; A1089-L1091 PolarHBondContact O-N 3.31Å; L1091-L1093 HydrophobicContact CD2-CD1 3.69Å; L1091-L1093 HydrophobicContact CG-CD1 3.75Å; L1091-R1122 HydrophobicContact CD1-CB 4.08Å; L1091-M1124 HydrophobicContact CD1-CB 4.38Å
1092	V	96.2	Very high	89.7	Confident	3 Å²	3	44.9 Å²	44.9	2%	0.018	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	122	173.4	-174.5	0	0	0	0	109	D850 I1082 A1089 L1094 L1120 R1122 V1123 M1124	D850-V1092 CarbonylContact O-C 3.55Å; D850-V1092 WeakPolarHBondContact O-CA 3.06Å; I1082-V1092 HydrophobicContact CG2-CG1 4.4Å; A1089-V1092 HydrophobicContact CB-CG2 4Å; V1092-L1094 HydrophobicContact CG1-CD2 4.19Å; V1092-L1120 HydrophobicContact CB-CD1 4.5Å; V1092-L1120 HydrophobicContact CG1-CD1 4.32Å; V1092-L1120 HydrophobicContact CG2-CD2 4.4Å; V1092-R1122 PolarHBondContact N-O 3.26Å; V1092-V1123 WeakPolarHBondContact O-CA 3.3Å; V1092-M1124 PolarHBondContact O-N 3.46Å
1093	L	95.8	Very high	89.2	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	131.2	170.4	-72.2	81.4	0	0	0	108.4	I849 D850 W852 L861 L864 P865 L1091 M1124 V1126	I849-L1093 HydrophobicContact CG2-CD1 3.58Å; D850-L1093 PolarHBondContact O-N 3.27Å; W852-L1093 PolarHBondContact N-O 2.61Å; L861-L1093 HydrophobicContact CD2-CB 4.15Å; L864-L1093 HydrophobicContact CB-CD2 3.95Å; L864-L1093 HydrophobicContact CD1-CD2 4.4Å; P865-L1093 HydrophobicContact CG-CD1 4.11Å; P865-L1093 HydrophobicContact CG-CD2 3.59Å; P865-L1093 HydrophobicContact CG-CG 4.46Å; L1091-L1093 HydrophobicContact CD2-CD1 3.69Å; L1091-L1093 HydrophobicContact CG-CD1 3.75Å; L1093-M1124 WeakPolarHBondContact CA-O 3.46Å; L1093-M1124 HydrophobicContact CD1-CE 4.27Å; L1093-M1124 HydrophobicContact CD2-CE 3.28Å; L1093-M1124 HydrophobicContact CG-CB 4.41Å; L1093-M1124 HydrophobicContact CG-CE 3.58Å; L1093-V1126 HydrophobicContact CD2-CG2 4.4Å
1094	L	94.1	Very high	88.4	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	151.8	171.1	64.8	154.5	0	0	0	109.7	W852 I1082 V1092 L1116 T1117 V1123 M1124 L1125 V1126	W852-L1094 HydrophobicContact CB-CB 3.86Å; I1082-L1094 HydrophobicContact CD1-CD1 4.41Å; V1092-L1094 HydrophobicContact CG1-CD2 4.19Å; L1094-L1116 HydrophobicContact CD1-CD1 4.37Å; L1094-L1116 HydrophobicContact CD1-CD2 3.7Å; L1094-L1116 HydrophobicContact CD1-CG 3.84Å; L1094-T1117 HydrophobicContact CD1-CG2 4.48Å; L1094-T1117 HydrophobicContact CD2-CG2 4.42Å; L1094-V1123 HydrophobicContact CD2-CG1 3.39Å; L1094-M1124 PolarHBondContact N-O 2.96Å; L1094-L1125 HydrophobicContact CD1-CD2 3.98Å; L1094-L1125 HydrophobicContact CD2-CD2 3.72Å; L1094-L1125 HydrophobicContact CG-CD2 3.62Å; L1094-L1125 WeakPolarHBondContact O-CA 3.47Å; L1094-V1126 PolarHBondContact O-N 3.49Å
1095	N	91.7	Very high	87.7	Confident	2 Å²	2	51 Å²	51	1%	0.011	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	142	173.8	58.2	-56	0	0	0	111.7	W852 I854 L861 Y924 V1126	W852-N1095 PolarHBondContact O-OD1 3.1Å; I854-N1095 WeakPolarHBondContact CA-OD1 3.47Å; I854-N1095 WeakPolarHBondContact CB-OD1 3.25Å; I854-N1095 PolarHBondContact N-OD1 2.98Å; I854-N1095 PolarHBondContact O-ND2 3.41Å; L861-N1095 HydrophobicContact CD1-CB 4.12Å; Y924-N1095 WeakPolarHBondContact CD1-ND2 3.24Å; Y924-N1095 VanDerWaalsContact CE1-ND2 3.34Å; Y924-N1095 WeakPolarHBondContact CE1-ND2 3.35Å; Y924-N1095 VanDerWaalsContact CE1-O 3.28Å; Y924-N1095 WeakPolarHBondContact CE1-O 3.36Å; Y924-N1095 PolarHBondContact OH-O 3.43Å; N1095-V1126 CarbonylContact C-O 3.5Å; N1095-V1126 WeakPolarHBondContact CA-O 3.44Å
1096	M	90.1	Very high	87.4	Confident	5 Å²	5	48.9 Å²	48.9	3%	0.025	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-96.7	140.7	176.5	59.5	-177.7	-68.5	0	0	111.7	V818 L828 V830 Y1109 L1113 L1125 V1126 R1127	V818-M1096 HydrophobicContact CG1-CE 3.84Å; V818-M1096 HydrophobicContact CG2-CE 4.12Å; L828-M1096 HydrophobicContact CD2-CE 4.26Å; L828-M1096 HydrophobicContact CD2-SD 3.96Å; V830-M1096 HydrophobicContact CG2-SD 4.16Å; M1096-Y1109 WeakPolarHBondContact CE-OH 3.45Å; M1096-L1113 HydrophobicContact CB-CD2 4.24Å; M1096-L1113 HydrophobicContact CE-CD1 4.39Å; M1096-L1125 HydrophobicContact CB-CB 4.27Å; M1096-L1125 HydrophobicContact SD-CB 4.24Å; M1096-V1126 PolarHBondContact N-O 2.82Å; M1096-R1127 HydrophobicContact CG-CB 3.69Å; M1096-R1127 HydrophobicContact CG-CG 4.37Å; M1096-R1127 HydrophobicContact SD-CB 4.13Å
1097	P	86.8	Confident	87	Confident	5 Å²	5	53.9 Å²	53.9	3%	0.032	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-73.1	163.7	-179.5	29.7	-34.5	0	0	0	113	A923 Y924 Y1109 F1112 L1113 R1127	A923-P1097 HydrophobicContact CB-CB 4.43Å; Y924-P1097 HydrophobicContact CD1-CB 4.36Å; Y924-P1097 HydrophobicContact CE1-CB 4.14Å; P1097-Y1109 HydrophobicContact CG-CE2 4.11Å; P1097-Y1109 WeakPolarHBondContact O-CE2 3.27Å; P1097-Y1109 PolarHBondContact O-OH 2.85Å; P1097-F1112 HydrophobicContact CG-CD1 4.07Å; P1097-F1112 HydrophobicContact CG-CE1 3.65Å; P1097-L1113 HydrophobicContact CG-CD2 4.43Å; P1097-R1127 PolarHBondContact O-NH1 3.33Å
1098	G	82.6	Confident	86.7	Confident	6 Å²	6	48.6 Å²	48.6	6%	0.062	23%	0.228	C	C	.	.			trans	-42.4	128.4	167.2	0	0	0	0	0	114.9	Y1109	G1098-Y1109 VanDerWaalsContact O-CE2 3.25Å; G1098-Y1109 WeakPolarHBondContact O-CE2 3.3Å
1099	P	84.4	Confident	86.6	Confident	19 Å²	19	41.8 Å²	41.8	12%	0.123	19%	0.191	C	C	.	.			trans	-62.6	149.6	162.8	30.5	-35.2	0	0	0	109.2	V818 R819 Y1109	V818-P1099 HydrophobicContact CG1-CG 4.13Å; R819-P1099 HydrophobicContact CG-CB 4.33Å; R819-P1099 HydrophobicContact CG-CG 4Å; P1099-Y1109 HydrophobicContact CB-CE1 4.31Å
1100	P	80.5	Confident	86.4	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.006	19%	0.189	C	C	.	.			trans	-61.1	140.5	177.6	26.8	-35.7	0	0	0	111.2	R819 W1030 N1102	R819-P1100 PolarHBondContact NH2-O 3.34Å; W1030-P1100 HydrophobicContact CB-CB 3.54Å; W1030-P1100 HydrophobicContact CD2-CB 3.76Å; W1030-P1100 HydrophobicContact CD2-CG 4.45Å; W1030-P1100 HydrophobicContact CE3-CB 4.29Å; W1030-P1100 HydrophobicContact CG-CB 3.44Å; W1030-P1100 VanDerWaalsContact CG-CB 3.44Å; P1100-N1102 PolarHBondContact O-N 3.44Å
1101	R	75.1	Confident	86.1	Confident	224 Å²	224	40.3 Å²	40.3	85%	0.845	19%	0.185	S	C	*	.	S	Bend	trans	-58.3	-36.6	171.2	-70.9	-171.6	176.4	-172.6	-1	111.8
1102	N	77.7	Confident	85.8	Confident	78 Å²	78	40.3 Å²	40.3	42%	0.417	19%	0.185	S	C	.	.	S	Bend	trans	-95.8	128.8	-179.5	-65.5	-8.3	0	0	0	110.7	T1031 P1100 N1104 G1105	T1031-N1102 HydrophobicContact CG2-CB 3.21Å; T1031-N1102 VanDerWaalsContact CG2-ND2 3.32Å; T1031-N1102 WeakPolarHBondContact CG2-ND2 3.49Å; T1031-N1102 PolarHBondContact OG1-ND2 3.32Å; T1031-N1102 VanDerWaalsContact OG1-ND2 3.08Å; P1100-N1102 PolarHBondContact O-N 3.44Å; N1102-N1104 PolarHBondContact O-N 3.37Å; N1102-N1104 VanDerWaalsContact O-N 3.16Å; N1102-G1105 PolarHBondContact O-N 3.12Å
1103	R	81.8	Confident	85.6	Confident	158 Å²	158	40.2 Å²	40.2	60%	0.596	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-62.1	-21.4	-178.7	-67.8	-178.9	163.6	174.7	-5.7	114.9	E816 G1105 D1106	E816-R1103 IonicContact OE1-CZ 2.88Å; E816-R1103 IonicContact OE1-NE 3.53Å; E816-R1103 IonicContact OE1-NH2 3.06Å; E816-R1103 PolarHBondContact OE1-NH2 3.08Å; E816-R1103 IonicContact OE2-NH2 3.77Å; E816-R1103 PolarHBondContact OE2-NH2 3.41Å; R1103-G1105 PolarHBondContact O-N 3.43Å; R1103-D1106 WeakPolarHBondContact CA-OD1 3.34Å; R1103-D1106 VanDerWaalsContact O-CB 3.28Å; R1103-D1106 WeakPolarHBondContact O-CB 3.49Å; R1103-D1106 PolarHBondContact O-N 2.93Å
1104	N	77.2	Confident	85.3	Confident	130 Å²	130	41.8 Å²	41.8	70%	0.695	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-68.1	-15.7	178.5	-63.8	-8.9	0	0	0	112.8	T1031 N1102	T1031-N1104 HydrophobicContact CG2-CB 4.06Å; N1102-N1104 PolarHBondContact O-N 3.37Å; N1102-N1104 VanDerWaalsContact O-N 3.16Å
1105	G	79.4	Confident	85.2	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-92.8	2.2	178.1	0	0	0	0	0	114.6	N1102 R1103 E1107 N1108 Y1109	N1102-G1105 PolarHBondContact O-N 3.12Å; R1103-G1105 PolarHBondContact O-N 3.43Å; G1105-E1107 PolarHBondContact O-N 3.21Å; G1105-N1108 WeakPolarHBondContact O-CB 3.37Å; G1105-N1108 PolarHBondContact O-N 3.17Å; G1105-Y1109 PolarHBondContact O-N 3.5Å
1106	D	85.8	Confident	85.1	Confident	14 Å²	14	42.6 Å²	42.6	8%	0.075	20%	0.196	C	C	.	.	H	α-helix	trans	-64.1	-40.9	-167.9	-74.5	10.4	0	0	0	112.7	W811 I815 R819 R1103 Y1109 M1110	W811-D1106 HydrophobicContact CH2-CB 4.1Å; W811-D1106 HydrophobicContact CZ3-CB 3.7Å; I815-D1106 HydrophobicContact CD1-CB 3.55Å; I815-D1106 WeakPolarHBondContact CD1-O 3.1Å; R819-D1106 IonicContact CZ-OD1 3.53Å; R819-D1106 IonicContact CZ-OD2 3.5Å; R819-D1106 IonicContact NH1-OD1 3.97Å; R819-D1106 IonicContact NH1-OD2 3.36Å; R819-D1106 PolarHBondContact NH1-OD2 3.45Å; R819-D1106 VanDerWaalsContact NH2-CG 3.33Å; R819-D1106 IonicContact NH2-OD1 2.74Å; R819-D1106 PolarHBondContact NH2-OD1 3.2Å; R819-D1106 IonicContact NH2-OD2 3.46Å; R819-D1106 PolarHBondContact NH2-OD2 2.96Å; R1103-D1106 WeakPolarHBondContact CA-OD1 3.34Å; R1103-D1106 VanDerWaalsContact O-CB 3.28Å; R1103-D1106 WeakPolarHBondContact O-CB 3.49Å; R1103-D1106 PolarHBondContact O-N 2.93Å; D1106-Y1109 WeakPolarHBondContact O-CB 3.25Å; D1106-Y1109 PolarHBondContact O-N 3.38Å; D1106-M1110 PolarHBondContact O-N 3.23Å; D1106-M1110 VanDerWaalsContact O-N 3.12Å
1107	E	85.1	Confident	85.2	Confident	107 Å²	107	42.4 Å²	42.4	50%	0.5	20%	0.196	S	C	.	.	H	α-helix	trans	-66.7	-41.2	176.6	-171	172.3	-167.6	0	0	111.4	W811 G1105 Y1109 M1110 E1111	W811-E1107 HydrophobicContact CH2-CB 3.86Å; W811-E1107 HydrophobicContact CZ2-CB 4.45Å; W811-E1107 HydrophobicContact CZ3-CB 4.42Å; G1105-E1107 PolarHBondContact O-N 3.21Å; E1107-Y1109 PolarHBondContact O-N 3.29Å; E1107-M1110 PolarHBondContact O-N 2.6Å; E1107-E1111 PolarHBondContact O-N 3.21Å
1108	N	84.3	Confident	85.4	Confident	45 Å²	45	46.8 Å²	46.8	24%	0.241	22%	0.215	C	C	.	.	H	α-helix	trans	-63	-33.3	176	-59.9	-38.6	0	0	0	111.6	M1072 G1105 F1112	M1072-N1108 WeakPolarHBondContact CE-O 3.25Å; G1105-N1108 WeakPolarHBondContact O-CB 3.37Å; G1105-N1108 PolarHBondContact O-N 3.17Å; N1108-F1112 VanDerWaalsContact O-CB 3.26Å; N1108-F1112 WeakPolarHBondContact O-CB 3.24Å; N1108-F1112 PolarHBondContact O-N 2.66Å
1109	Y	87.9	Confident	85.7	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-68.4	-42.1	175.7	180	-103.5	0	0	0	111.9	W1030 M1096 P1097 G1098 P1099 G1105 D1106 E1107 F1112 L1113	W1030-Y1109 HydrophobicContact CH2-CD2 4.12Å; W1030-Y1109 HydrophobicContact CZ3-CD2 4.37Å; M1096-Y1109 WeakPolarHBondContact CE-OH 3.45Å; P1097-Y1109 HydrophobicContact CG-CE2 4.11Å; P1097-Y1109 WeakPolarHBondContact O-CE2 3.27Å; P1097-Y1109 PolarHBondContact O-OH 2.85Å; G1098-Y1109 VanDerWaalsContact O-CE2 3.25Å; G1098-Y1109 WeakPolarHBondContact O-CE2 3.3Å; P1099-Y1109 HydrophobicContact CB-CE1 4.31Å; G1105-Y1109 PolarHBondContact O-N 3.5Å; D1106-Y1109 WeakPolarHBondContact O-CB 3.25Å; D1106-Y1109 PolarHBondContact O-N 3.38Å; E1107-Y1109 PolarHBondContact O-N 3.29Å; Y1109-F1112 WeakPolarHBondContact O-CB 3.46Å; Y1109-F1112 PolarHBondContact O-N 2.96Å; Y1109-L1113 HydrophobicContact CD1-CD1 4.11Å; Y1109-L1113 HydrophobicContact CE1-CD1 3.52Å; Y1109-L1113 HydrophobicContact CE1-CG 4.28Å; Y1109-L1113 WeakPolarHBondContact O-CG 3.26Å; Y1109-L1113 PolarHBondContact O-N 3.4Å
1110	M	89.2	Confident	86.1	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65	-44.7	174.8	-74.3	-64.2	-60.4	0	0	112.2	W798 P799 W802 W811 F814 I815 D1106 E1107 F1112 L1113 E1114	W798-M1110 HydrophobicContact CH2-CE 3.64Å; W798-M1110 HydrophobicContact CH2-SD 4.19Å; W798-M1110 HydrophobicContact CZ2-CE 3.63Å; W798-M1110 HydrophobicContact CZ3-CE 4.45Å; P799-M1110 HydrophobicContact CG-CE 3.96Å; W802-M1110 HydrophobicContact CD2-CB 4.4Å; W802-M1110 HydrophobicContact CD2-CE 3.91Å; W802-M1110 HydrophobicContact CE3-CB 4.17Å; W802-M1110 HydrophobicContact CG-CE 3.91Å; W802-M1110 HydrophobicContact CH2-CB 3.55Å; W802-M1110 HydrophobicContact CZ2-CB 3.82Å; W802-M1110 HydrophobicContact CZ3-CB 3.75Å; W811-M1110 HydrophobicContact CB-CE 4.34Å; W811-M1110 HydrophobicContact CE3-CG 3.8Å; W811-M1110 HydrophobicContact CZ3-CG 4.34Å; F814-M1110 HydrophobicContact CD1-CE 4.32Å; F814-M1110 HydrophobicContact CD1-SD 3.75Å; F814-M1110 HydrophobicContact CE1-SD 3.95Å; I815-M1110 HydrophobicContact CD1-CG 3.75Å; I815-M1110 HydrophobicContact CD1-SD 4.39Å; I815-M1110 HydrophobicContact CG1-CG 4.15Å; I815-M1110 HydrophobicContact CG1-SD 4.13Å; D1106-M1110 PolarHBondContact O-N 3.23Å; D1106-M1110 VanDerWaalsContact O-N 3.12Å; E1107-M1110 PolarHBondContact O-N 2.6Å; M1110-F1112 VanDerWaalsContact C-N 3.28Å; M1110-F1112 PolarHBondContact O-N 2.99Å; M1110-L1113 PolarHBondContact O-N 3.29Å; M1110-E1114 WeakPolarHBondContact O-CB 3.4Å; M1110-E1114 PolarHBondContact O-N 3.48Å
1111	E	87.5	Confident	86.5	Confident	50 Å²	50	55.9 Å²	55.9	23%	0.234	26%	0.258	C	S	.	.	H	α-helix	trans	-60	-40.5	173.8	-78.4	-57	158.3	0	0	111.5	W802 R803 M1072 E1107 L1113 E1114 V1115	W802-E1111 HydrophobicContact CH2-CB 4.47Å; W802-E1111 VanDerWaalsContact CH2-CD 3.5Å; W802-E1111 HydrophobicContact CH2-CG 3.78Å; W802-E1111 WeakPolarHBondContact CH2-OE1 3.2Å; R803-E1111 IonicContact CZ-OE1 3.09Å; R803-E1111 IonicContact CZ-OE2 3.77Å; R803-E1111 IonicContact NE-OE1 3.13Å; R803-E1111 PolarHBondContact NE-OE1 3.03Å; R803-E1111 IonicContact NE-OE2 3.51Å; R803-E1111 IonicContact NH2-OE1 2.74Å; R803-E1111 IonicContact NH2-OE2 3.83Å; R803-E1111 PolarHBondContact NH2-OE2 3Å; M1072-E1111 HydrophobicContact CE-CB 3.55Å; M1072-E1111 HydrophobicContact SD-CB 4.32Å; E1107-E1111 PolarHBondContact O-N 3.21Å; E1111-L1113 PolarHBondContact O-N 3.22Å; E1111-E1114 PolarHBondContact O-N 2.71Å; E1111-V1115 WeakPolarHBondContact O-CB 3.47Å; E1111-V1115 VanDerWaalsContact O-CG2 3.28Å; E1111-V1115 WeakPolarHBondContact O-CG2 3.4Å; E1111-V1115 PolarHBondContact O-N 2.78Å
1112	F	89.3	Confident	87.4	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60	-47.2	177.4	179.2	-82.1	0	0	0	111.6	A923 R1071 M1072 T1074 A1075 P1097 N1108 Y1109 M1110 L1116	A923-F1112 HydrophobicContact CB-CE2 4.11Å; A923-F1112 HydrophobicContact CB-CZ 3.79Å; R1071-F1112 WeakPolarHBondContact O-CD2 3.3Å; R1071-F1112 WeakPolarHBondContact O-CE2 3.35Å; M1072-F1112 HydrophobicContact CE-CB 4.24Å; T1074-F1112 HydrophobicContact CG2-CE2 4.39Å; A1075-F1112 HydrophobicContact CB-CD2 3.67Å; A1075-F1112 HydrophobicContact CB-CE2 3.67Å; A1075-F1112 HydrophobicContact CB-CG 4.22Å; A1075-F1112 HydrophobicContact CB-CZ 4.21Å; P1097-F1112 HydrophobicContact CG-CD1 4.07Å; P1097-F1112 HydrophobicContact CG-CE1 3.65Å; N1108-F1112 VanDerWaalsContact O-CB 3.26Å; N1108-F1112 WeakPolarHBondContact O-CB 3.24Å; N1108-F1112 PolarHBondContact O-N 2.66Å; Y1109-F1112 WeakPolarHBondContact O-CB 3.46Å; Y1109-F1112 PolarHBondContact O-N 2.96Å; M1110-F1112 VanDerWaalsContact C-N 3.28Å; M1110-F1112 PolarHBondContact O-N 2.99Å; F1112-L1116 HydrophobicContact CE1-CD2 4.03Å; F1112-L1116 WeakPolarHBondContact O-CB 3.45Å; F1112-L1116 PolarHBondContact O-N 3.5Å
1113	L	91	Very high	88.3	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-67	-35.9	178.4	-69	-179.2	0	0	0	112.6	W798 M1096 P1097 Y1109 M1110 E1111 T1117	W798-L1113 HydrophobicContact CH2-CB 3.72Å; W798-L1113 HydrophobicContact CH2-CD1 4.09Å; W798-L1113 HydrophobicContact CZ3-CB 4.27Å; W798-L1113 HydrophobicContact CZ3-CD1 4.06Å; M1096-L1113 HydrophobicContact CB-CD2 4.24Å; M1096-L1113 HydrophobicContact CE-CD1 4.39Å; P1097-L1113 HydrophobicContact CG-CD2 4.43Å; Y1109-L1113 HydrophobicContact CD1-CD1 4.11Å; Y1109-L1113 HydrophobicContact CE1-CD1 3.52Å; Y1109-L1113 HydrophobicContact CE1-CG 4.28Å; Y1109-L1113 WeakPolarHBondContact O-CG 3.26Å; Y1109-L1113 PolarHBondContact O-N 3.4Å; M1110-L1113 PolarHBondContact O-N 3.29Å; E1111-L1113 PolarHBondContact O-N 3.22Å; L1113-T1117 PolarHBondContact O-N 3.05Å; L1113-T1117 PolarHBondContact O-OG1 3.32Å
1114	E	90.4	Very high	88.9	Confident	33 Å²	33	36 Å²	36	15%	0.154	18%	0.177	C	C	.	.	H	α-helix	trans	-66.4	-48.7	178.3	-165.2	66.9	-125.8	0	0	110.8	W798 W802 K832 M1110 E1111 L1116 T1117 E1118	W798-E1114 VanDerWaalsContact CZ2-OE2 3.23Å; W798-E1114 WeakPolarHBondContact CZ2-OE2 3.48Å; W798-E1114 PolarHBondContact NE1-OE2 3.42Å; W802-E1114 HydrophobicContact CZ2-CB 4.03Å; W802-E1114 HydrophobicContact CZ2-CG 4.32Å; W802-E1114 PolarHBondContact NE1-OE2 2.9Å; K832-E1114 VanDerWaalsContact CE-OE1 3.27Å; K832-E1114 WeakPolarHBondContact CE-OE1 3.22Å; K832-E1114 IonicContact NZ-OE1 3.98Å; K832-E1114 PolarHBondContact NZ-OE1 3.44Å; M1110-E1114 WeakPolarHBondContact O-CB 3.4Å; M1110-E1114 PolarHBondContact O-N 3.48Å; E1111-E1114 PolarHBondContact O-N 2.71Å; E1114-L1116 VanDerWaalsContact C-N 3.34Å; E1114-L1116 PolarHBondContact O-N 2.98Å; E1114-T1117 CarbonylContact O-C 3.59Å; E1114-T1117 PolarHBondContact O-N 2.97Å; E1114-E1118 PolarHBondContact O-N 2.98Å
1115	V	91	Very high	89.8	Confident	19 Å²	19	29.9 Å²	29.9	12%	0.115	14%	0.144	C	C	.	.	H	α-helix	trans	-62.9	-39.5	176.1	172.8	0	0	0	0	111.5	M1072 A1075 V1076 N1079 E1111 T1117	M1072-V1115 HydrophobicContact SD-CG2 4.38Å; A1075-V1115 HydrophobicContact CB-CB 4.18Å; A1075-V1115 HydrophobicContact CB-CG1 3.82Å; V1076-V1115 HydrophobicContact CB-CG1 4.48Å; V1076-V1115 HydrophobicContact CG2-CG1 3.61Å; N1079-V1115 WeakPolarHBondContact CB-O 3.29Å; N1079-V1115 PolarHBondContact ND2-O 3.49Å; E1111-V1115 WeakPolarHBondContact O-CB 3.47Å; E1111-V1115 VanDerWaalsContact O-CG2 3.28Å; E1111-V1115 WeakPolarHBondContact O-CG2 3.4Å; E1111-V1115 PolarHBondContact O-N 2.78Å; V1115-T1117 PolarHBondContact O-N 3.28Å
1116	L	90.9	Very high	90.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-63.6	-26.2	178.6	179.9	60.9	0	0	0	113.4	Y924 L1078 N1079 I1082 L1094 F1112 E1114	Y924-L1116 WeakPolarHBondContact OH-CD2 3.16Å; L1078-L1116 HydrophobicContact CB-CD1 4.09Å; L1078-L1116 HydrophobicContact CD2-CD1 3.52Å; L1078-L1116 HydrophobicContact CG-CD1 3.76Å; N1079-L1116 PolarHBondContact OD1-O 3.19Å; N1079-L1116 VanDerWaalsContact OD1-O 3.08Å; I1082-L1116 HydrophobicContact CD1-CD1 4.01Å; L1094-L1116 HydrophobicContact CD1-CD1 4.37Å; L1094-L1116 HydrophobicContact CD1-CD2 3.7Å; L1094-L1116 HydrophobicContact CD1-CG 3.84Å; F1112-L1116 HydrophobicContact CE1-CD2 4.03Å; F1112-L1116 WeakPolarHBondContact O-CB 3.45Å; F1112-L1116 PolarHBondContact O-N 3.5Å; E1114-L1116 VanDerWaalsContact C-N 3.34Å; E1114-L1116 PolarHBondContact O-N 2.98Å
1117	T	91.8	Very high	90.8	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.012	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	21	-173.6	57.9	0	0	0	0	112.6	K832 L1094 L1113 E1114 V1115 V1123 L1125	K832-T1117 WeakPolarHBondContact CD-OG1 3.48Å; K832-T1117 PolarHBondContact NZ-O 2.97Å; K832-T1117 PolarHBondContact NZ-OG1 3.34Å; L1094-T1117 HydrophobicContact CD1-CG2 4.48Å; L1094-T1117 HydrophobicContact CD2-CG2 4.42Å; L1113-T1117 PolarHBondContact O-N 3.05Å; L1113-T1117 PolarHBondContact O-OG1 3.32Å; E1114-T1117 CarbonylContact O-C 3.59Å; E1114-T1117 PolarHBondContact O-N 2.97Å; V1115-T1117 PolarHBondContact O-N 3.28Å; T1117-V1123 HydrophobicContact CG2-CG1 3.9Å; T1117-L1125 HydrophobicContact CG2-CD2 3.89Å
1118	E	90.7	Very high	90.9	Very high	96 Å²	96	25.9 Å²	25.9	45%	0.449	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	143.4	179.1	-158.5	178.1	176	0	0	110.5	N1079 V1083 E1114 L1120	N1079-E1118 PolarHBondContact ND2-O 2.97Å; N1079-E1118 PolarHBondContact OD1-O 2.72Å; V1083-E1118 WeakPolarHBondContact CG2-O 2.94Å; E1114-E1118 PolarHBondContact O-N 2.98Å; E1118-L1120 PolarHBondContact O-N 3.48Å
1119	Q	89.4	Confident	90.9	Very high	122 Å²	122	24.2 Å²	24.2	57%	0.57	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.2	14.8	-179.9	-47	-176.9	4.8	0	0	116.4	V1083	V1083-Q1119 HydrophobicContact CG1-CB 4.47Å; V1083-Q1119 HydrophobicContact CG2-CB 4.3Å
1120	L	92	Very high	90.4	Very high	6 Å²	6	26.1 Å²	26.1	3%	0.031	14%	0.14	C	C	.	.			trans	-105	131.2	173.6	-59.7	178	0	0	0	111.3	N833 I1082 V1083 V1092 E1118 V1123	N833-L1120 PolarHBondContact ND2-O 2.93Å; I1082-L1120 HydrophobicContact CG2-CD1 3.82Å; I1082-L1120 HydrophobicContact CG2-CD2 4.34Å; V1083-L1120 HydrophobicContact CG2-CD2 4.09Å; V1083-L1120 HydrophobicContact CG2-CG 4.43Å; V1092-L1120 HydrophobicContact CB-CD1 4.5Å; V1092-L1120 HydrophobicContact CG1-CD1 4.32Å; V1092-L1120 HydrophobicContact CG2-CD2 4.4Å; E1118-L1120 PolarHBondContact O-N 3.48Å; L1120-V1123 HydrophobicContact CB-CG2 3.39Å; L1120-V1123 HydrophobicContact CD1-CG2 3.89Å; L1120-V1123 HydrophobicContact CG-CG2 4.3Å
1121	D	89.9	Confident	89.7	Confident	90 Å²	90	33 Å²	33	48%	0.481	17%	0.166	S	C	.	.	S	Bend	trans	-70.7	-56.9	-174.7	-77.9	-11.2	0	0	0	112.9	N833	N833-D1121 WeakPolarHBondContact CB-O 3.3Å; N833-D1121 PolarHBondContact ND2-O 3.48Å
1122	R	94	Very high	89.3	Confident	41 Å²	41	31.6 Å²	31.6	16%	0.155	16%	0.16	C	C	.	.	S	Bend	trans	-124.4	112.6	-177.7	-57.4	-170.7	-165.3	88.2	8.7	109.8	M836 F837 K1090 L1091 V1092	M836-R1122 HydrophobicContact CB-CG 4.21Å; M836-R1122 PolarHBondContact O-NE 3.47Å; M836-R1122 PolarHBondContact O-NH2 3.15Å; F837-R1122 HydrophobicContact CD2-CG 4.39Å; F837-R1122 HydrophobicContact CE2-CB 3.99Å; F837-R1122 HydrophobicContact CE2-CG 4.35Å; F837-R1122 HydrophobicContact CZ-CB 4.14Å; K1090-R1122 VanDerWaalsContact O-CD 3.26Å; K1090-R1122 WeakPolarHBondContact O-CD 3.49Å; K1090-R1122 PolarHBondContact O-NH1 3.43Å; L1091-R1122 HydrophobicContact CD1-CB 4.08Å; V1092-R1122 PolarHBondContact N-O 3.26Å
1123	V	94.9	Very high	88.6	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	132.4	-177.2	-174.4	0	0	0	0	110.1	K832 V1092 L1094 T1117 L1120 L1125	K832-V1123 HydrophobicContact CB-CB 4.08Å; K832-V1123 PolarHBondContact N-O 2.03Å; V1092-V1123 WeakPolarHBondContact O-CA 3.3Å; L1094-V1123 HydrophobicContact CD2-CG1 3.39Å; T1117-V1123 HydrophobicContact CG2-CG1 3.9Å; L1120-V1123 HydrophobicContact CB-CG2 3.39Å; L1120-V1123 HydrophobicContact CD1-CG2 3.89Å; L1120-V1123 HydrophobicContact CG-CG2 4.3Å; V1123-L1125 HydrophobicContact CG1-CD2 4.15Å; V1123-L1125 HydrophobicContact CG1-CG 4.38Å
1124	M	95.5	Very high	88	Confident	2 Å²	2	32 Å²	32	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	107.2	168.8	-173.7	170.2	67.1	0	0	108.9	V830 T831 L864 L868 L1091 V1092 L1093 L1094 V1126	V830-M1124 CarbonylContact O-C 3.57Å; V830-M1124 WeakPolarHBondContact O-CA 3.24Å; T831-M1124 HydrophobicContact CG2-CG 4.3Å; L864-M1124 HydrophobicContact CB-CE 4.11Å; L864-M1124 HydrophobicContact CD1-CE 4Å; L868-M1124 HydrophobicContact CD1-CE 4.32Å; L1091-M1124 HydrophobicContact CD1-CB 4.38Å; V1092-M1124 PolarHBondContact O-N 3.46Å; L1093-M1124 WeakPolarHBondContact CA-O 3.46Å; L1093-M1124 HydrophobicContact CD1-CE 4.27Å; L1093-M1124 HydrophobicContact CD2-CE 3.28Å; L1093-M1124 HydrophobicContact CG-CB 4.41Å; L1093-M1124 HydrophobicContact CG-CE 3.58Å; L1094-M1124 PolarHBondContact N-O 2.96Å; M1124-V1126 HydrophobicContact CE-CG2 4.38Å; M1124-V1126 HydrophobicContact CG-CG2 4.34Å
1125	L	95.4	Very high	87	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	133.4	172.5	-60.6	174.4	0	0	0	109	W798 L829 V830 L1094 M1096 T1117 V1123	W798-L1125 HydrophobicContact CE3-CD1 4.46Å; W798-L1125 HydrophobicContact CZ3-CD1 4.14Å; L829-L1125 WeakPolarHBondContact CA-O 3.21Å; V830-L1125 HydrophobicContact CB-CB 4.14Å; V830-L1125 PolarHBondContact N-O 3.29Å; V830-L1125 PolarHBondContact O-N 2.89Å; L1094-L1125 HydrophobicContact CD1-CD2 3.98Å; L1094-L1125 HydrophobicContact CD2-CD2 3.72Å; L1094-L1125 HydrophobicContact CG-CD2 3.62Å; L1094-L1125 WeakPolarHBondContact O-CA 3.47Å; M1096-L1125 HydrophobicContact CB-CB 4.27Å; M1096-L1125 HydrophobicContact SD-CB 4.24Å; T1117-L1125 HydrophobicContact CG2-CD2 3.89Å; V1123-L1125 HydrophobicContact CG1-CD2 4.15Å; V1123-L1125 HydrophobicContact CG1-CG 4.38Å
1126	V	94.5	Very high	86.1	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	139.4	-174	179.7	0	0	0	0	109.5	L829 M860 L861 L864 L1093 L1094 N1095 M1096 M1124	L829-V1126 HydrophobicContact CD2-CB 4.34Å; L829-V1126 HydrophobicContact CD2-CG1 4.05Å; L829-V1126 HydrophobicContact CD2-CG2 3.94Å; M860-V1126 HydrophobicContact CE-CG1 3.24Å; M860-V1126 HydrophobicContact CG-CG1 3.98Å; M860-V1126 HydrophobicContact SD-CG1 3.94Å; L861-V1126 HydrophobicContact CD2-CB 4.33Å; L861-V1126 HydrophobicContact CD2-CG2 4.42Å; L864-V1126 HydrophobicContact CD1-CG1 3.95Å; L864-V1126 HydrophobicContact CD1-CG2 3.76Å; L1093-V1126 HydrophobicContact CD2-CG2 4.4Å; L1094-V1126 PolarHBondContact O-N 3.49Å; N1095-V1126 CarbonylContact C-O 3.5Å; N1095-V1126 WeakPolarHBondContact CA-O 3.44Å; M1096-V1126 PolarHBondContact N-O 2.82Å; M1124-V1126 HydrophobicContact CE-CG2 4.38Å; M1124-V1126 HydrophobicContact CG-CG2 4.34Å
1127	R	92	Very high	84.9	Confident	25 Å²	25	34.5 Å²	34.5	9%	0.094	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	128.6	172.8	-176	-172.8	-177.1	103.2	11.9	110.3	T822 A827 L828 M860 M1096 P1097	T822-R1127 PolarHBondContact OG1-NE 3.03Å; T822-R1127 VanDerWaalsContact OG1-NE 3.1Å; A827-R1127 CarbonylContact C-O 3.57Å; A827-R1127 VanDerWaalsContact CA-O 3.31Å; A827-R1127 WeakPolarHBondContact CA-O 3.28Å; L828-R1127 HydrophobicContact CB-CB 4.25Å; L828-R1127 PolarHBondContact N-O 2.95Å; L828-R1127 PolarHBondContact O-N 3.27Å; M860-R1127 WeakPolarHBondContact CE-O 3.25Å; M1096-R1127 HydrophobicContact CG-CB 3.69Å; M1096-R1127 HydrophobicContact CG-CG 4.37Å; M1096-R1127 HydrophobicContact SD-CB 4.13Å; P1097-R1127 PolarHBondContact O-NH1 3.33Å
1128	G	87.6	Confident	83.4	Confident	11 Å²	11	39 Å²	39	11%	0.113	21%	0.206	C	C	.	.			trans	-76.4	152.7	174.6	0	0	0	0	0	113	D857 M860 G1130	D857-G1128 WeakPolarHBondContact OD1-CA 3.05Å; D857-G1128 PolarHBondContact OD1-N 3.31Å; D857-G1128 PolarHBondContact OD2-N 3.33Å; M860-G1128 VanDerWaalsContact CE-CA 3.49Å; M860-G1128 VanDerWaalsContact CE-N 3.35Å; G1128-G1130 VanDerWaalsContact C-N 3.32Å
1129	G	83.7	Confident	83	Confident	10 Å²	10	36.2 Å²	36.2	10%	0.103	19%	0.193	C	C	.	.			trans	-81.4	-10.7	169.5	0	0	0	0	0	113.5	E1132	G1129-E1132 WeakPolarHBondContact CA-OE1 3.02Å; G1129-E1132 PolarHBondContact N-OE1 3.05Å; G1129-E1132 PolarHBondContact N-OE2 3.01Å
1130	G	78.2	Confident	82.7	Confident	41 Å²	41	31.6 Å²	31.6	42%	0.423	17%	0.174	S	C	.	.	S	Bend	trans	95.8	2.5	176.2	0	0	0	0	0	114.6	G1128 E1132	G1128-G1130 VanDerWaalsContact C-N 3.32Å; G1130-E1132 PolarHBondContact N-OE2 3.48Å
1131	R	74.8	Confident	82.2	Confident	144 Å²	144	33.1 Å²	33.1	54%	0.543	18%	0.182	S	C	.	.			trans	-115.7	3.2	-178.3	-63.4	-176	179.7	-175.6	1.3	113.2	V1133	R1131-V1133 PolarHBondContact O-N 2.87Å
1132	E	79	Confident	81.7	Confident	20 Å²	20	29.7 Å²	29.7	9%	0.093	16%	0.164	C	C	.	.			trans	-80.2	102.2	-174.1	-59.8	82.1	-178.7	0	0	112	W693 G1129 G1130	W693-E1132 HydrophobicContact CD2-CB 4.19Å; W693-E1132 HydrophobicContact CD2-CG 3.74Å; W693-E1132 VanDerWaalsContact CE2-CG 3.49Å; W693-E1132 HydrophobicContact CE3-CG 4.37Å; W693-E1132 HydrophobicContact CG-CB 4.12Å; W693-E1132 HydrophobicContact CG-CG 3.95Å; W693-E1132 HydrophobicContact CZ2-CG 3.92Å; G1129-E1132 WeakPolarHBondContact CA-OE1 3.02Å; G1129-E1132 PolarHBondContact N-OE1 3.05Å; G1129-E1132 PolarHBondContact N-OE2 3.01Å; G1130-E1132 PolarHBondContact N-OE2 3.48Å
1133	V	74.8	Confident	81	Confident	4 Å²	4	29 Å²	29	2%	0.024	16%	0.164	C	C	.	.			trans	-108	125.4	168.6	-178.7	0	0	0	0	109.7	W693 L939 M942 E952 R1131 T1135	W693-V1133 WeakPolarHBondContact CB-O 3.37Å; W693-V1133 PolarHBondContact N-O 2.62Å; L939-V1133 HydrophobicContact CD2-CG1 4.38Å; L939-V1133 HydrophobicContact CD2-CG2 3.94Å; M942-V1133 HydrophobicContact CE-CB 4.41Å; M942-V1133 HydrophobicContact CE-CG2 3.54Å; M942-V1133 HydrophobicContact SD-CG2 4.45Å; E952-V1133 HydrophobicContact CG-CG1 4.49Å; R1131-V1133 PolarHBondContact O-N 2.87Å; V1133-T1135 HydrophobicContact CG1-CG2 4.14Å
1134	I	77.3	Confident	80.1	Confident	4 Å²	4	30.9 Å²	30.9	2%	0.021	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-125.7	105.3	-176.4	-58.5	161.4	0	0	0	108	W693 G859 L863 Y1137	W693-I1134 HydrophobicContact CB-CG1 4.11Å; W693-I1134 HydrophobicContact CE3-CD1 4.25Å; G859-I1134 VanDerWaalsContact C-CD1 3.43Å; G859-I1134 WeakPolarHBondContact O-CD1 3.4Å; L863-I1134 HydrophobicContact CB-CD1 4.05Å; L863-I1134 HydrophobicContact CD2-CD1 3.76Å; L863-I1134 HydrophobicContact CD2-CG1 4.37Å; I1134-Y1137 HydrophobicContact CB-CE2 4.49Å; I1134-Y1137 HydrophobicContact CG2-CD1 4.21Å; I1134-Y1137 HydrophobicContact CG2-CD2 4.06Å; I1134-Y1137 HydrophobicContact CG2-CE1 3.85Å; I1134-Y1137 HydrophobicContact CG2-CE2 3.69Å; I1134-Y1137 HydrophobicContact CG2-CG 4.32Å
1135	T	70.7	Confident	79	Confident	7 Å²	7	33 Å²	33	4%	0.043	19%	0.187	C	C	.	.			trans	-102.4	-22.7	177.6	63.8	0	0	0	0	112.9	K691 N692 E948 V1133	K691-T1135 PolarHBondContact O-OG1 2.84Å; N692-T1135 PolarHBondContact OD1-OG1 3.11Å; E948-T1135 HydrophobicContact CB-CG2 4.49Å; V1133-T1135 HydrophobicContact CG1-CG2 4.14Å
1136	I	70.2	Confident	77.7	Confident	79 Å²	79	35.5 Å²	35.5	41%	0.405	20%	0.201	S	C	.	.			trans	-125.9	117.2	179.6	-54.5	179.6	0	0	0	110.9	N692 R694	N692-I1136 WeakPolarHBondContact OD1-CB 3.49Å; N692-I1136 WeakPolarHBondContact OD1-CG1 3.28Å; R694-I1136 PolarHBondContact NH1-O 3.11Å; R694-I1136 PolarHBondContact NH2-O 3.14Å; R694-I1136 VanDerWaalsContact NH2-O 3.09Å
1137	Y	66.8	Low	76.3	Confident	19 Å²	19	38.4 Å²	38.4	8%	0.075	22%	0.218	C	C	.	.			trans	-96.2	100.9	174.1	-65.6	-102	0	0	0	108.7	M862 L863 F901 L905 I907 I1134	M862-Y1137 HydrophobicContact CB-CE1 3.94Å; L863-Y1137 HydrophobicContact CB-CD1 4.48Å; L863-Y1137 HydrophobicContact CB-CE1 4.26Å; L863-Y1137 HydrophobicContact CD1-CD1 4.19Å; F901-Y1137 HydrophobicContact CZ-CE2 4.37Å; L905-Y1137 HydrophobicContact CD1-CD2 3.3Å; L905-Y1137 HydrophobicContact CD1-CE2 3.37Å; L905-Y1137 HydrophobicContact CD1-CG 3.94Å; L905-Y1137 HydrophobicContact CD2-CD2 3.66Å; L905-Y1137 HydrophobicContact CD2-CE2 4.22Å; L905-Y1137 HydrophobicContact CG-CD2 4.06Å; L905-Y1137 HydrophobicContact CG-CE2 4.43Å; I907-Y1137 HydrophobicContact CD1-CD1 3.85Å; I907-Y1137 HydrophobicContact CD1-CG 3.94Å; I1134-Y1137 HydrophobicContact CB-CE2 4.49Å; I1134-Y1137 HydrophobicContact CG2-CD1 4.21Å; I1134-Y1137 HydrophobicContact CG2-CD2 4.06Å; I1134-Y1137 HydrophobicContact CG2-CE1 3.85Å; I1134-Y1137 HydrophobicContact CG2-CE2 3.69Å; I1134-Y1137 HydrophobicContact CG2-CG 4.32Å
1138	S	60.5	Low	74.9	Confident	97 Å²	97	39.6 Å²	39.6	68%	0.678	23%	0.229	S	C	*	.			trans	-144.4	0	179.3	173.4	0	0	0	0	111.2	R694	R694-S1138 PolarHBondContact NE-O 3.37Å; R694-S1138 VanDerWaalsContact NH2-N 3.16Å; R694-S1138 PolarHBondContact NH2-O 2.59Å

Retrieved 1,138 of 1,138 residues in 860.1 ms (Link to these results)

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