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Sodium/potassium-transporting ATPase subunit alpha

This is the catalytic component of the active enzyme, which catalyzes the hydrolysis of ATP coupled with the exchange of sodium and potassium ions across the plasma membrane. This action creates the electrochemical gradient of sodium and potassium ions, providing the energy for active transport of various nutrients.

AlphaFold DB , UniProt , Accession A0A077Z709, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,060 aa.

						>A0A077Z709_TRITR|A0A077Z709
MAKQLPKQPVLLEKMTTDGAAPTANDTVPPSAPKSRPGTMRKKKGATDLEHLKKEVEMDEHRIPLAELYQRYGTDPEMGLSEDCAREILERDGPNALTPPKKVPEWVKFAKNLFGGFALLLWIGSVLCFIAYGVDLATSDDPLHDNMYLGIVLAVVVIVTGIFQYCQEAKSSRIMESFKDLVPHYSLVVRDGQTKNIRTEEVVVGDVVEMRGGDRVPADVRIIASHGFKVDNSSLTGESEAQSRGVECTNPDNPLETKNLAFFSTNAVEGTARGIVVNTGDHTLMGRIAHLASGLDTGQTPIAREIEHFIHIITGVAVFLGLVFFIMAFILGYQWLDAVIFLIGIIVANVPEGLLATVTVCLTLTAKRMASKNCLVKNLEAVETLGSTSTICSDKTGTLTQNRMTVAHMWFDDEVIEADTSEHQSCPALENSSSTFDALSRVAALCNKAEFKPNQEDVPVLKRECTGDASESALLKCMELTVGDVVGWRKKNKKVCEIPFNSTNKYQVSGCELLAYSCSGIVYANKVSIHEFHDDPNYAYLLVMKGAPERIFERCSTIACQDKQHAVDLDWTNKFQQAYLKLGGLGERVLGFCDLLLPIADFPQGYEFNGDDQNFPLDGLRFLGLISMIDPPRAAVPDAVSKCRSAGIKVIMVTGDHPITAQAIARSVGIISEGSETVEDIALRLGIPKKDVDPRQARAIVIHGSDLKDMNSDQLDIILANHAEIVFARTSPQQKLIIVEGCQRQGAIVAVTGDGVNDSPALKKADIGVAMGIAGSDVSKQAADMILLDDNFASIVTGVEEGRLIFDNLKKSIAYTLTSNIPEISPFLLFMLANIPLPLGSVTILCIDLGTDLWPAISLAYEEAESDIMKRKPRDPQRDKLVNERLISLAYGMIGIIQAVAGFFAYFVIMGENGFLPDRLFGLRKEWDSRAVNDLQDSYGQQWTYANRKVLEYTCHTGFFVSIVVVQWADLIISKTRRNSLVQQGMSNWTLNAGLVFETALAAFLCYCPGLDKGLRMYGLRFSWWFPALPFSLLIFLFDETRRFIIRRSPDGWIAKETYY
					

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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	39.9	Very low	249 Å²	249	156.9 Å²	156.9	100%	1.227	83%	0.827	S	S	*	*				0	125.1	0	-63.6	168	169.9	0	0	106.5
2	A	35.6	Very low	39.3	Very low	94 Å²	94	156.2 Å²	156.2	78%	0.777	82%	0.823	S	S	*	*			cis	-165	167.8	-12.3	0	0	0	0	0	106.1
3	K	39.7	Very low	39.2	Very low	177 Å²	177	155.8 Å²	155.8	77%	0.77	81%	0.814	S	S	*	*			cis	-165.2	160.5	4.8	-141.8	177	-177.7	176.3	0	108.1
4	Q	42.7	Very low	39	Very low	162 Å²	162	156.2 Å²	156.2	76%	0.757	81%	0.806	S	S	*	*			trans	69.9	146.6	159.8	-60.8	168.5	-29.9	0	0	118.5
5	L	41.4	Very low	38.7	Very low	153 Å²	153	157.1 Å²	157.1	80%	0.801	81%	0.808	S	S	*	*			cis	-170.2	143.4	-22.7	-112.7	170.2	0	0	0	108.1
6	P	45.4	Very low	38.7	Very low	114 Å²	114	154.4 Å²	154.4	74%	0.74	80%	0.801	S	S	*	*			trans	-110.5	149.8	180	38.3	-30.7	0	0	0	115.3
7	K	42.1	Very low	38.6	Very low	199 Å²	199	151.7 Å²	151.7	87%	0.865	79%	0.793	S	S	*	*			trans	-165.1	152.5	168.2	-74.4	-161.8	-178.7	-176	0	108.6
8	Q	38.7	Very low	38.4	Very low	177 Å²	177	152.1 Å²	152.1	83%	0.827	80%	0.796	S	S	*	*			cis	179	178.9	-20.5	-115.6	-166	-31.4	0	0	105.4
9	P	43.4	Very low	38.3	Very low	104 Å²	104	148 Å²	148	68%	0.675	80%	0.795	S	S	*	*			trans	-125.5	176.4	-138.2	44	-30.4	0	0	0	118.1
10	V	36.6	Very low	38.3	Very low	127 Å²	127	146.2 Å²	146.2	77%	0.77	80%	0.801	S	S	*	*			trans	49.6	129.9	151.5	173.9	0	0	0	0	120.7
11	L	39	Very low	38.1	Very low	170 Å²	170	143.6 Å²	143.6	89%	0.89	80%	0.799	S	S	*	*			trans	-157.3	136.2	147.7	-112.1	160.7	0	0	0	112.3
12	L	33.5	Very low	38.7	Very low	148 Å²	148	137.2 Å²	137.2	78%	0.775	78%	0.776	S	S	*	*			trans	-93.8	158.2	168.2	-85.7	85	0	0	0	110.4
13	E	36.9	Very low	38.9	Very low	152 Å²	152	140 Å²	140	71%	0.71	78%	0.784	S	S	*	*				-176.8	133.3	125.5	-103	-173.1	156.2	0	0	115.5
14	K	36.8	Very low	38.8	Very low	161 Å²	161	135.6 Å²	135.6	70%	0.7	78%	0.78	S	S	*	*			trans	55.8	125.4	142.2	-64.5	160.4	-179.4	166.9	0	120.5
15	M	34.9	Very low	38.7	Very low	170 Å²	170	134.8 Å²	134.8	84%	0.837	78%	0.781	S	S	*	*				59.4	131.3	72.9	-72.7	-174.7	167.4	0	0	113.4
16	T	38.3	Very low	38.4	Very low	114 Å²	114	134.4 Å²	134.4	70%	0.699	78%	0.78	S	S	*	*			cis	-168.9	161.6	20.1	10.4	0	0	0	0	113.5
17	T	37.7	Very low	38.3	Very low	108 Å²	108	136 Å²	136	66%	0.663	79%	0.788	S	S	*	*			trans	64.8	119.7	146.4	53.2	0	0	0	0	124.6
18	D	35.2	Very low	38.1	Very low	159 Å²	159	132.8 Å²	132.8	85%	0.85	78%	0.784	S	S	*	*				65.2	137	125.3	-51.8	-20.2	0	0	0	124.4
19	G	35.4	Very low	38.5	Very low	74 Å²	74	129.8 Å²	129.8	76%	0.763	78%	0.78	S	S	*	*			trans	147.9	75	145.4	0	0	0	0	0	120.7
20	A	37.8	Very low	38.5	Very low	112 Å²	112	130.6 Å²	130.6	93%	0.926	79%	0.785	S	S	*	*			trans	55.2	149.6	146.1	0	0	0	0	0	123.1
21	A	34.8	Very low	38.3	Very low	91 Å²	91	130.3 Å²	130.3	75%	0.752	79%	0.789	S	S	*	*			trans	-118.2	-159.6	175.8	0	0	0	0	0	110.1
22	P	47.5	Very low	38.5	Very low	115 Å²	115	126.7 Å²	126.7	75%	0.747	78%	0.783	S	S	*	*			cis	-124.2	180	-48.7	33.3	-16.5	0	0	0	111.8
23	T	38.8	Very low	38.7	Very low	154 Å²	154	125.6 Å²	125.6	95%	0.945	79%	0.786	S	S	*	*			trans	-171.9	162.3	144.8	11.6	0	0	0	0	112.6
24	A	38.9	Very low	38.6	Very low	83 Å²	83	128.5 Å²	128.5	69%	0.686	80%	0.796	S	S	*	*			trans	-101.7	157.3	-164.3	0	0	0	0	0	115.9
25	N	39.2	Very low	38.6	Very low	145 Å²	145	125.7 Å²	125.7	78%	0.775	80%	0.796	S	S	*	*				175.9	133.6	114.3	-91.5	-2.1	0	0	0	114.7
26	D	36.2	Very low	38.7	Very low	145 Å²	145	128.8 Å²	128.8	78%	0.775	80%	0.799	S	S	*	*			trans	19.3	121.6	150	-55.8	-26.1	0	0	0	122.3
27	T	41.8	Very low	38.6	Very low	148 Å²	148	128.3 Å²	128.3	91%	0.908	80%	0.798	S	S	*	*			trans	-162.2	149.9	137.1	14.4	0	0	0	0	111.2
28	V	38.5	Very low	38.6	Very low	132 Å²	132	126 Å²	126	80%	0.8	80%	0.795	S	S	*	*			trans	-143.4	154.4	-167.2	174.5	0	0	0	0	107.9
29	P	46.7	Very low	38.7	Very low	113 Å²	113	124.3 Å²	124.3	73%	0.734	79%	0.791	S	S	*	*			cis	-118.3	-148.3	-29.6	39.7	-19.7	0	0	0	109.8
30	P	43.1	Very low	38.5	Very low	121 Å²	121	127.7 Å²	127.7	79%	0.786	79%	0.788	S	S	*	*				-138.1	173.6	52.5	31.5	-7.4	0	0	0	116.7
31	S	34	Very low	38.4	Very low	122 Å²	122	132.2 Å²	132.2	85%	0.853	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-64.8	135	-177.3	52.9	0	0	0	0	116
32	A	42	Very low	38.4	Very low	93 Å²	93	136.8 Å²	136.8	77%	0.769	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-99.1	153.1	166.9	0	0	0	0	0	112.1
33	P	38.1	Very low	37.7	Very low	126 Å²	126	139.3 Å²	139.3	82%	0.818	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-81.3	147.5	-164.8	31.6	-36.1	0	0	0	114.7	S35	P33-S35 PolarHBondContact O-N 2.6Å
34	K	34.8	Very low	37.7	Very low	212 Å²	212	139.5 Å²	139.5	92%	0.922	77%	0.772	S	S	*	*			trans	-64.6	102	174.1	-69.9	178.9	177.1	177.3	0	111.4
35	S	36.5	Very low	38.3	Very low	102 Å²	102	137.3 Å²	137.3	71%	0.713	76%	0.757	S	S	*	*			trans	-74.1	139.3	167.7	56.1	0	0	0	0	111	P33	P33-S35 PolarHBondContact O-N 2.6Å
36	R	37.5	Very low	38.9	Very low	235 Å²	235	133 Å²	133	89%	0.887	74%	0.741	S	S	*	*			trans	-73	128.9	-175.8	-68.3	176.6	173.9	176.6	-3.4	110.6	G38	R36-G38 PolarHBondContact O-N 3.32Å
37	P	36	Very low	39.8	Very low	105 Å²	105	130.1 Å²	130.1	68%	0.682	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	35.2	-172.5	34.3	-38.2	0	0	0	114.5
38	G	38.5	Very low	41	Very low	59 Å²	59	127.4 Å²	127.4	61%	0.608	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-47.7	-174.1	0	0	0	0	0	114.4	R36	R36-G38 PolarHBondContact O-N 3.32Å
39	T	37.4	Very low	42.6	Very low	124 Å²	124	123.5 Å²	123.5	76%	0.761	68%	0.683	S	S	*	*	H	α-helix	trans	-90.1	-28.4	-168.6	36.7	0	0	0	0	114.8	R41	T39-R41 VanDerWaalsContact C-N 3.31Å; T39-R41 PolarHBondContact O-N 3.19Å
40	M	30.3	Very low	43.9	Very low	144 Å²	144	124.5 Å²	124.5	71%	0.709	68%	0.678	S	S	*	*	H	α-helix	trans	-68.3	-27.1	175.8	-83	-162.9	-84.7	0	0	113.4	K43 K44	M40-K43 PolarHBondContact O-N 2.98Å; M40-K44 PolarHBondContact O-N 3.03Å
41	R	35.3	Very low	45.3	Very low	207 Å²	207	124.1 Å²	124.1	78%	0.781	67%	0.665	S	S	*	*	H	α-helix	trans	-66.8	-38.4	-178.6	-101.2	-177.9	166	176.3	-2.9	113.6	T39 K44 G45	T39-R41 VanDerWaalsContact C-N 3.31Å; T39-R41 PolarHBondContact O-N 3.19Å; R41-K44 PolarHBondContact O-N 2.83Å; R41-G45 PolarHBondContact O-N 2.64Å
42	K	35.7	Very low	47.2	Very low	188 Å²	188	119 Å²	119	82%	0.817	63%	0.629	S	S	*	*	H	α-helix	trans	-65.5	-37.1	176.2	-90.2	-165.6	171.4	-168.8	0	112.6	A46	K42-A46 PolarHBondContact O-N 3.08Å
43	K	33.2	Very low	48.7	Very low	168 Å²	168	116.9 Å²	116.9	73%	0.73	60%	0.602	S	S	*	*	H	α-helix	trans	-65.8	-42.7	176.2	-79.4	-165.4	171.1	-168.7	0	112.4	M40 G45 A46 T47	M40-K43 PolarHBondContact O-N 2.98Å; K43-G45 PolarHBondContact O-N 3.39Å; K43-A46 PolarHBondContact O-N 2.75Å; K43-T47 PolarHBondContact O-N 3.15Å; K43-T47 VanDerWaalsContact O-N 3.1Å; K43-T47 PolarHBondContact O-OG1 3.42Å; K43-T47 VanDerWaalsContact O-OG1 3.12Å
44	K	39	Very low	50.3	Low	158 Å²	158	117.4 Å²	117.4	69%	0.687	59%	0.591	S	S	*	*	H	α-helix	trans	-57.8	-43.9	178.7	-81.2	-159.3	169.4	-160.5	0	113.3	M40 R41 T47 D48	M40-K44 PolarHBondContact O-N 3.03Å; R41-K44 PolarHBondContact O-N 2.83Å; K44-T47 WeakPolarHBondContact CA-OG1 3.45Å; K44-T47 PolarHBondContact O-N 3.09Å; K44-T47 PolarHBondContact O-OG1 2.83Å; K44-D48 PolarHBondContact O-N 2.85Å
45	G	51.3	Low	51.9	Low	36 Å²	36	110 Å²	110	37%	0.371	56%	0.56	S	S	.	*	H	α-helix	trans	-66.2	-38.1	179.5	0	0	0	0	0	113.8	R41 K43 D48 L49	R41-G45 PolarHBondContact O-N 2.64Å; K43-G45 PolarHBondContact O-N 3.39Å; G45-D48 WeakPolarHBondContact O-CB 3.41Å; G45-D48 PolarHBondContact O-N 3.25Å; G45-L49 PolarHBondContact O-N 2.8Å
46	A	51.3	Low	53.5	Low	54 Å²	54	106.1 Å²	106.1	45%	0.446	53%	0.532	S	S	.	.	H	α-helix	trans	-66.4	-41.4	175.8	0	0	0	0	0	112.1	K42 K43 D48 L49 E50	K42-A46 PolarHBondContact O-N 3.08Å; K43-A46 PolarHBondContact O-N 2.75Å; A46-D48 VanDerWaalsContact C-N 3.3Å; A46-D48 PolarHBondContact O-N 3.23Å; A46-L49 PolarHBondContact O-N 2.93Å; A46-E50 PolarHBondContact O-N 3.01Å; A46-E50 VanDerWaalsContact O-N 3.1Å
47	T	55.5	Low	55	Low	85 Å²	85	104 Å²	104	52%	0.521	53%	0.532	S	S	.	.	H	α-helix	trans	-66.9	-29.4	175.8	48.5	0	0	0	0	113.3	K43 K44 H51	K43-T47 PolarHBondContact O-N 3.15Å; K43-T47 VanDerWaalsContact O-N 3.1Å; K43-T47 PolarHBondContact O-OG1 3.42Å; K43-T47 VanDerWaalsContact O-OG1 3.12Å; K44-T47 WeakPolarHBondContact CA-OG1 3.45Å; K44-T47 PolarHBondContact O-N 3.09Å; K44-T47 PolarHBondContact O-OG1 2.83Å; T47-H51 WeakPolarHBondContact O-CB 3.36Å; T47-H51 PolarHBondContact O-N 2.91Å; T47-H51 VanDerWaalsContact O-N 3.13Å
48	D	66.9	Low	57	Low	91 Å²	91	100.4 Å²	100.4	49%	0.487	51%	0.507	S	S	.	.	H	α-helix	trans	-66.4	-47.6	173.2	-117.7	-27.7	0	0	0	111.1	K44 G45 A46 E50 H51 L52	K44-D48 PolarHBondContact O-N 2.85Å; G45-D48 WeakPolarHBondContact O-CB 3.41Å; G45-D48 PolarHBondContact O-N 3.25Å; A46-D48 VanDerWaalsContact C-N 3.3Å; A46-D48 PolarHBondContact O-N 3.23Å; D48-E50 PolarHBondContact O-N 3.05Å; D48-H51 WeakPolarHBondContact O-CA 3.36Å; D48-H51 WeakPolarHBondContact O-CB 3.28Å; D48-H51 PolarHBondContact O-N 2.93Å; D48-H51 VanDerWaalsContact O-N 3.08Å; D48-L52 WeakPolarHBondContact O-CG 3.35Å; D48-L52 PolarHBondContact O-N 3.19Å
49	L	71.6	Confident	59.2	Low	51 Å²	51	100.7 Å²	100.7	27%	0.267	49%	0.494	S	S	.	.	H	α-helix	trans	-61.9	-41.9	178.1	-79.5	161	0	0	0	112.7	G45 A46 H51 L52 K53 L291	G45-L49 PolarHBondContact O-N 2.8Å; A46-L49 PolarHBondContact O-N 2.93Å; L49-H51 VanDerWaalsContact C-N 3.27Å; L49-H51 PolarHBondContact O-N 3.05Å; L49-L52 PolarHBondContact O-N 3.37Å; L49-K53 WeakPolarHBondContact O-CG 3.18Å; L49-K53 PolarHBondContact O-N 3.15Å; L49-K53 VanDerWaalsContact O-N 3.09Å; L49-L291 HydrophobicContact CD2-CD1 4.5Å
50	E	73.6	Confident	61.5	Low	134 Å²	134	95.6 Å²	95.6	63%	0.626	46%	0.462	S	S	*	.	H	α-helix	trans	-65	-30.9	173.5	-73.6	-176.5	170.6	0	0	112.8	A46 D48	A46-E50 PolarHBondContact O-N 3.01Å; A46-E50 VanDerWaalsContact O-N 3.1Å; D48-E50 PolarHBondContact O-N 3.05Å
51	H	73.9	Confident	64.2	Low	112 Å²	112	88.9 Å²	88.9	52%	0.519	43%	0.429	S	S	.	.	H	α-helix	trans	-71.6	-42	173.8	-173.7	-102.3	0	0	0	111.8	T47 D48 L49 K53 K54	T47-H51 WeakPolarHBondContact O-CB 3.36Å; T47-H51 PolarHBondContact O-N 2.91Å; T47-H51 VanDerWaalsContact O-N 3.13Å; D48-H51 WeakPolarHBondContact O-CA 3.36Å; D48-H51 WeakPolarHBondContact O-CB 3.28Å; D48-H51 PolarHBondContact O-N 2.93Å; D48-H51 VanDerWaalsContact O-N 3.08Å; L49-H51 VanDerWaalsContact C-N 3.27Å; L49-H51 PolarHBondContact O-N 3.05Å; H51-K53 VanDerWaalsContact C-N 3.28Å; H51-K53 PolarHBondContact O-N 2.97Å; H51-K54 WeakPolarHBondContact O-CB 3.48Å; H51-K54 PolarHBondContact O-N 3.16Å; H51-K54 VanDerWaalsContact O-N 3.09Å
52	L	73.3	Confident	66.8	Low	15 Å²	15	85.9 Å²	85.9	8%	0.079	42%	0.417	C	S	.	.	H	α-helix	trans	-64.6	-29.9	177.1	-69	163.3	0	0	0	113.4	D48 L49 K54 R287 H290 L291	D48-L52 WeakPolarHBondContact O-CG 3.35Å; D48-L52 PolarHBondContact O-N 3.19Å; L49-L52 PolarHBondContact O-N 3.37Å; L52-K54 VanDerWaalsContact C-N 3.25Å; L52-K54 PolarHBondContact O-N 2.87Å; L52-R287 HydrophobicContact CD2-CB 4.28Å; L52-R287 HydrophobicContact CD2-CG 4.08Å; L52-H290 WeakPolarHBondContact CD1-CD2 3.4Å; L52-L291 HydrophobicContact CB-CD1 4.43Å
53	K	72.3	Confident	69.3	Low	48 Å²	48	77.7 Å²	77.7	21%	0.209	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-22.6	172.5	-77.5	-177.9	175	-169.1	0	113.7	L49 H51 L291 L736 E740	L49-K53 WeakPolarHBondContact O-CG 3.18Å; L49-K53 PolarHBondContact O-N 3.15Å; L49-K53 VanDerWaalsContact O-N 3.09Å; H51-K53 VanDerWaalsContact C-N 3.28Å; H51-K53 PolarHBondContact O-N 2.97Å; K53-L291 HydrophobicContact CG-CD1 3.94Å; K53-L736 HydrophobicContact CD-CD2 4.49Å; K53-L736 HydrophobicContact CG-CD2 4.09Å; K53-E740 IonicContact NZ-OE1 3.93Å; K53-E740 PolarHBondContact NZ-OE1 3.08Å; K53-E740 IonicContact NZ-OE2 3.73Å; K53-E740 PolarHBondContact NZ-OE2 2.78Å
54	K	72.4	Confident	71.9	Confident	137 Å²	137	73.7 Å²	73.7	60%	0.596	37%	0.373	S	S	*	.	S	Bend	trans	-74.1	150.6	173.9	-61.7	-176.3	179.4	-173.8	0	110	H51 L52 R287	H51-K54 WeakPolarHBondContact O-CB 3.48Å; H51-K54 PolarHBondContact O-N 3.16Å; H51-K54 VanDerWaalsContact O-N 3.09Å; L52-K54 VanDerWaalsContact C-N 3.25Å; L52-K54 PolarHBondContact O-N 2.87Å; K54-R287 PolarHBondContact O-NH2 3.32Å
55	E	68.6	Low	74.3	Confident	56 Å²	56	68.3 Å²	68.3	26%	0.262	35%	0.352	S	S	.	.			trans	-60.6	161.8	173.9	-65.9	-177.8	173.1	0	0	111.4	E57 K708 Q734	E55-E57 PolarHBondContact O-N 3.22Å; E55-K708 VanDerWaalsContact OE2-CD 3.31Å; E55-K708 WeakPolarHBondContact OE2-CD 3.31Å; E55-K708 WeakPolarHBondContact OE2-CE 3.48Å; E55-K708 IonicContact OE2-NZ 3.4Å; E55-K708 PolarHBondContact OE2-NZ 2.82Å; E55-Q734 PolarHBondContact OE1-NE2 2.96Å
56	V	69.2	Low	76.1	Confident	21 Å²	21	70.2 Å²	70.2	13%	0.127	36%	0.364	C	S	.	.			trans	-81.6	106	179.3	-164.1	0	0	0	0	108.8	M58 L284	V56-M58 HydrophobicContact CB-CG 4.34Å; V56-M58 HydrophobicContact CG1-CG 3.42Å; V56-M58 VanDerWaalsContact CG1-CG 3.42Å; V56-M58 HydrophobicContact CG1-SD 3.86Å; V56-M58 PolarHBondContact O-N 3.45Å; V56-L284 HydrophobicContact CG2-CD1 3.5Å
57	E	70.5	Confident	77.9	Confident	191 Å²	191	72.5 Å²	72.5	89%	0.893	37%	0.366	S	S	*	.			trans	-75.2	116	163.7	-67.1	176.4	-168.9	0	0	108	E55	E55-E57 PolarHBondContact O-N 3.22Å
58	M	77.7	Confident	79.5	Confident	29 Å²	29	68.4 Å²	68.4	14%	0.143	34%	0.341	C	S	.	.			trans	-130.1	149.9	174.9	-58.9	-158.8	-59.8	0	0	108.8	V56 E60 H61 P254 L260 F262	V56-M58 HydrophobicContact CB-CG 4.34Å; V56-M58 HydrophobicContact CG1-CG 3.42Å; V56-M58 VanDerWaalsContact CG1-CG 3.42Å; V56-M58 HydrophobicContact CG1-SD 3.86Å; V56-M58 PolarHBondContact O-N 3.45Å; M58-E60 WeakPolarHBondContact CB-OE2 3.2Å; M58-H61 PolarHBondContact O-CE1 3.45Å; M58-P254 HydrophobicContact CE-CB 3.58Å; M58-P254 HydrophobicContact CE-CG 4.16Å; M58-L260 HydrophobicContact CE-CD1 3.56Å; M58-F262 HydrophobicContact CE-CE1 4.3Å
59	D	84.9	Confident	80.6	Confident	65 Å²	65	66.6 Å²	66.6	35%	0.348	33%	0.327	S	S	.	.			trans	-120.7	-15.1	178.4	66.3	-17.7	0	0	0	113	H61 R62 I63 R71	D59-H61 PolarHBondContact O-N 2.83Å; D59-H61 VanDerWaalsContact O-N 3.13Å; D59-R62 WeakPolarHBondContact O-CB 3.43Å; D59-R62 PolarHBondContact O-N 2.98Å; D59-I63 HydrophobicContact CB-CD1 4.29Å; D59-I63 WeakPolarHBondContact O-CG1 3.44Å; D59-I63 PolarHBondContact O-N 3.5Å; D59-R71 VanDerWaalsContact CG-NH1 3.28Å; D59-R71 IonicContact OD1-CZ 2.82Å; D59-R71 VanDerWaalsContact OD1-CZ 3.25Å; D59-R71 IonicContact OD1-NH1 2.74Å; D59-R71 PolarHBondContact OD1-NH1 2.78Å; D59-R71 IonicContact OD1-NH2 2.71Å; D59-R71 PolarHBondContact OD1-NH2 3.35Å; D59-R71 IonicContact OD2-CZ 3.64Å; D59-R71 IonicContact OD2-NH1 3.96Å; D59-R71 PolarHBondContact OD2-NH1 2.68Å; D59-R71 IonicContact OD2-NH2 3.04Å
60	E	85.9	Confident	81.5	Confident	17 Å²	17	71.9 Å²	71.9	8%	0.079	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-24.2	-175.2	-63.8	86.1	173.6	0	0	114.1	M58 L68 R71 Y72 R221 V277	M58-E60 WeakPolarHBondContact CB-OE2 3.2Å; E60-L68 HydrophobicContact CB-CD1 4.08Å; E60-L68 HydrophobicContact CG-CD1 4.38Å; E60-R71 IonicContact OE1-CZ 3.25Å; E60-R71 IonicContact OE1-NH2 2.64Å; E60-R71 PolarHBondContact OE1-NH2 3.46Å; E60-Y72 HydrophobicContact CG-CE2 4.35Å; E60-Y72 WeakPolarHBondContact CG-OH 3.45Å; E60-Y72 PolarHBondContact OE1-OH 2.83Å; E60-R221 VanDerWaalsContact O-CD 3.26Å; E60-R221 WeakPolarHBondContact O-CD 3.25Å; E60-R221 PolarHBondContact O-NE 3.46Å; E60-V277 HydrophobicContact CB-CG1 4.13Å; E60-V277 HydrophobicContact CB-CG2 4.18Å; E60-V277 HydrophobicContact CG-CG1 3.75Å; E60-V277 HydrophobicContact CG-CG2 4.37Å
61	H	87	Confident	82.3	Confident	3 Å²	3	70.9 Å²	70.9	1%	0.014	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-26	173.3	65.1	-71.3	0	0	0	113.8	M58 D59 C248 P251 T257 N259 L260	M58-H61 PolarHBondContact O-CE1 3.45Å; D59-H61 PolarHBondContact O-N 2.83Å; D59-H61 VanDerWaalsContact O-N 3.13Å; H61-C248 WeakPolarHBondContact O-CB 3.45Å; H61-P251 PolarHBondContact NE2-O 3.08Å; H61-T257 HydrophobicContact CB-CG2 3.87Å; H61-N259 WeakPolarHBondContact CB-OD1 3.44Å; H61-N259 PolarHBondContact O-ND2 2.82Å; H61-L260 HydrophobicContact CB-CD1 3.93Å; H61-L260 HydrophobicContact CB-CD2 4.31Å; H61-L260 HydrophobicContact CB-CG 4Å
62	R	88.7	Confident	82.9	Confident	144 Å²	144	67.5 Å²	67.5	54%	0.543	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-31.1	-180	-59.6	178.1	140.9	-164.7	-4.6	112.5	D59 P251 D252	D59-R62 WeakPolarHBondContact O-CB 3.43Å; D59-R62 PolarHBondContact O-N 2.98Å; R62-P251 PolarHBondContact NE-O 3.42Å; R62-P251 PolarHBondContact NH2-O 3.19Å; R62-D252 IonicContact CZ-OD1 3.74Å; R62-D252 IonicContact NH2-OD1 3.93Å; R62-D252 PolarHBondContact NH2-OD1 2.72Å
63	I	88.1	Confident	83.6	Confident	16 Å²	16	69.9 Å²	69.9	8%	0.082	35%	0.352	C	S	.	.	S	Bend	trans	-68.1	137.3	-173.7	-71.4	168.7	0	0	0	111.4	D59 E67 L68 R71	D59-I63 HydrophobicContact CB-CD1 4.29Å; D59-I63 WeakPolarHBondContact O-CG1 3.44Å; D59-I63 PolarHBondContact O-N 3.5Å; I63-E67 HydrophobicContact CG2-CB 3.61Å; I63-E67 HydrophobicContact CG2-CG 3.61Å; I63-L68 HydrophobicContact CG2-CB 4.37Å; I63-R71 VanDerWaalsContact CD1-NH1 3.32Å
64	P	89.1	Confident	84.4	Confident	84 Å²	84	67.9 Å²	67.9	55%	0.545	34%	0.344	S	S	.	.			trans	-61.7	145.6	172.5	-22.1	33.8	0	0	0	112.5	A66 E67 L68	P64-A66 VanDerWaalsContact C-N 3.25Å; P64-A66 PolarHBondContact O-N 3.34Å; P64-A66 VanDerWaalsContact O-N 3.09Å; P64-E67 PolarHBondContact O-N 2.78Å; P64-L68 PolarHBondContact O-N 2.7Å
65	L	89.2	Confident	85.2	Confident	46 Å²	46	65 Å²	65	24%	0.241	34%	0.335	C	S	.	.	H	α-helix	trans	-53.6	-37.7	-174.9	-64.6	178.5	0	0	0	114.1	E67 L68 Y69 I223 V246	L65-E67 VanDerWaalsContact C-N 3.35Å; L65-E67 PolarHBondContact O-N 3.49Å; L65-L68 HydrophobicContact CD2-CD2 4.38Å; L65-L68 WeakPolarHBondContact O-CB 3.18Å; L65-L68 PolarHBondContact O-N 3.12Å; L65-Y69 HydrophobicContact CB-CE2 4Å; L65-Y69 WeakPolarHBondContact O-CD1 3.31Å; L65-Y69 WeakPolarHBondContact O-CD2 3.44Å; L65-Y69 PolarHBondContact O-N 3.5Å; L65-I223 HydrophobicContact CD2-CG2 4.11Å; L65-V246 HydrophobicContact CD1-CG1 3.8Å; L65-V246 HydrophobicContact CD2-CG1 4.46Å
66	A	88.2	Confident	85.9	Confident	75 Å²	75	64.4 Å²	64.4	62%	0.62	34%	0.337	S	S	*	.	H	α-helix	trans	-63.7	-37.8	178.6	0	0	0	0	0	113.3	P64 Q70	P64-A66 VanDerWaalsContact C-N 3.25Å; P64-A66 PolarHBondContact O-N 3.34Å; P64-A66 VanDerWaalsContact O-N 3.09Å; A66-Q70 PolarHBondContact O-N 2.93Å
67	E	90.1	Very high	86.7	Confident	102 Å²	102	70.9 Å²	70.9	48%	0.477	37%	0.365	S	S	.	.	H	α-helix	trans	-75.3	-33.9	176.4	179.4	-179.6	177.8	0	0	110.9	I63 P64 L65 Q70 R71	I63-E67 HydrophobicContact CG2-CB 3.61Å; I63-E67 HydrophobicContact CG2-CG 3.61Å; P64-E67 PolarHBondContact O-N 2.78Å; L65-E67 VanDerWaalsContact C-N 3.35Å; L65-E67 PolarHBondContact O-N 3.49Å; E67-Q70 PolarHBondContact O-N 3.08Å; E67-R71 WeakPolarHBondContact O-CB 3.37Å; E67-R71 PolarHBondContact O-N 2.9Å
68	L	88.9	Confident	87.4	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-60.7	-47.6	171.3	-170.7	83.2	0	0	0	111.8	E60 I63 P64 L65 Q70 R71 Y72 R221 I275	E60-L68 HydrophobicContact CB-CD1 4.08Å; E60-L68 HydrophobicContact CG-CD1 4.38Å; I63-L68 HydrophobicContact CG2-CB 4.37Å; P64-L68 PolarHBondContact O-N 2.7Å; L65-L68 HydrophobicContact CD2-CD2 4.38Å; L65-L68 WeakPolarHBondContact O-CB 3.18Å; L65-L68 PolarHBondContact O-N 3.12Å; L68-Q70 VanDerWaalsContact C-N 3.29Å; L68-Q70 PolarHBondContact O-N 2.96Å; L68-R71 PolarHBondContact O-N 2.96Å; L68-Y72 HydrophobicContact CD1-CD2 4.1Å; L68-Y72 HydrophobicContact CD1-CE2 3.75Å; L68-Y72 HydrophobicContact CG-CD2 4.19Å; L68-Y72 HydrophobicContact CG-CE2 4.34Å; L68-Y72 WeakPolarHBondContact O-CD2 3.46Å; L68-Y72 PolarHBondContact O-N 2.82Å; L68-Y72 VanDerWaalsContact O-N 3.15Å; L68-R221 HydrophobicContact CD1-CG 4.26Å; L68-R221 HydrophobicContact CD2-CB 4.18Å; L68-R221 HydrophobicContact CD2-CG 3.52Å; L68-I275 HydrophobicContact CD2-CD1 4.27Å
69	Y	90.5	Very high	88	Confident	52 Å²	52	65.6 Å²	65.6	20%	0.204	34%	0.344	C	S	.	.	H	α-helix	trans	-59.5	-40.6	175.8	-58.8	-29.7	0	0	0	111.5	L65 G73 T74 P76 I223 I275	L65-Y69 HydrophobicContact CB-CE2 4Å; L65-Y69 WeakPolarHBondContact O-CD1 3.31Å; L65-Y69 WeakPolarHBondContact O-CD2 3.44Å; L65-Y69 PolarHBondContact O-N 3.5Å; Y69-G73 WeakPolarHBondContact O-CA 3.4Å; Y69-G73 PolarHBondContact O-N 3.42Å; Y69-T74 WeakPolarHBondContact CB-O 3.49Å; Y69-T74 PolarHBondContact O-N 3.15Å; Y69-P76 HydrophobicContact CD2-CG 4.47Å; Y69-P76 HydrophobicContact CE1-CB 4.05Å; Y69-P76 HydrophobicContact CE2-CB 4.17Å; Y69-P76 HydrophobicContact CE2-CG 4.05Å; Y69-I223 HydrophobicContact CE1-CG2 4.17Å; Y69-I275 HydrophobicContact CD1-CD1 3.45Å; Y69-I275 VanDerWaalsContact CD1-CD1 3.45Å; Y69-I275 HydrophobicContact CE1-CD1 3.5Å; Y69-I275 VanDerWaalsContact CE1-CD1 3.5Å
70	Q	89.4	Confident	88.3	Confident	163 Å²	163	62.8 Å²	62.8	76%	0.762	33%	0.329	S	S	*	.	H	α-helix	trans	-68.1	-40.7	176.2	-171	176.1	2.7	0	0	112.8	A66 E67 L68 Y72 G73	A66-Q70 PolarHBondContact O-N 2.93Å; E67-Q70 PolarHBondContact O-N 3.08Å; L68-Q70 VanDerWaalsContact C-N 3.29Å; L68-Q70 PolarHBondContact O-N 2.96Å; Q70-Y72 VanDerWaalsContact C-N 3.33Å; Q70-Y72 PolarHBondContact O-N 2.82Å; Q70-G73 PolarHBondContact O-N 2.9Å
71	R	89.6	Confident	88.6	Confident	113 Å²	113	64.3 Å²	64.3	43%	0.426	34%	0.342	S	S	.	.	H	α-helix	trans	-63.6	-35.3	179.7	178	168.2	168.2	158.8	-13.7	112.7	D59 E60 I63 E67 L68	D59-R71 VanDerWaalsContact CG-NH1 3.28Å; D59-R71 IonicContact OD1-CZ 2.82Å; D59-R71 VanDerWaalsContact OD1-CZ 3.25Å; D59-R71 IonicContact OD1-NH1 2.74Å; D59-R71 PolarHBondContact OD1-NH1 2.78Å; D59-R71 IonicContact OD1-NH2 2.71Å; D59-R71 PolarHBondContact OD1-NH2 3.35Å; D59-R71 IonicContact OD2-CZ 3.64Å; D59-R71 IonicContact OD2-NH1 3.96Å; D59-R71 PolarHBondContact OD2-NH1 2.68Å; D59-R71 IonicContact OD2-NH2 3.04Å; E60-R71 IonicContact OE1-CZ 3.25Å; E60-R71 IonicContact OE1-NH2 2.64Å; E60-R71 PolarHBondContact OE1-NH2 3.46Å; I63-R71 VanDerWaalsContact CD1-NH1 3.32Å; E67-R71 WeakPolarHBondContact O-CB 3.37Å; E67-R71 PolarHBondContact O-N 2.9Å; L68-R71 PolarHBondContact O-N 2.96Å
72	Y	88.5	Confident	88.7	Confident	40 Å²	40	68.7 Å²	68.7	16%	0.157	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	4.2	178.8	-64.9	-67.1	0	0	0	114.6	E60 L68 Q70 T74 V204 I275	E60-Y72 HydrophobicContact CG-CE2 4.35Å; E60-Y72 WeakPolarHBondContact CG-OH 3.45Å; E60-Y72 PolarHBondContact OE1-OH 2.83Å; L68-Y72 HydrophobicContact CD1-CD2 4.1Å; L68-Y72 HydrophobicContact CD1-CE2 3.75Å; L68-Y72 HydrophobicContact CG-CD2 4.19Å; L68-Y72 HydrophobicContact CG-CE2 4.34Å; L68-Y72 WeakPolarHBondContact O-CD2 3.46Å; L68-Y72 PolarHBondContact O-N 2.82Å; L68-Y72 VanDerWaalsContact O-N 3.15Å; Q70-Y72 VanDerWaalsContact C-N 3.33Å; Q70-Y72 PolarHBondContact O-N 2.82Å; Y72-T74 PolarHBondContact O-N 3.28Å; Y72-T74 VanDerWaalsContact O-N 3.16Å; Y72-T74 PolarHBondContact O-OG1 2.78Å; Y72-V204 HydrophobicContact CD1-CG1 3.59Å; Y72-V204 HydrophobicContact CE1-CG1 3.31Å; Y72-I275 HydrophobicContact CD2-CG2 4.32Å
73	G	87.5	Confident	88.8	Confident	65 Å²	65	67 Å²	67	67%	0.67	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	30.8	-179.7	0	0	0	0	0	114	Y69 Q70	Y69-G73 WeakPolarHBondContact O-CA 3.4Å; Y69-G73 PolarHBondContact O-N 3.42Å; Q70-G73 PolarHBondContact O-N 2.9Å
74	T	87.7	Confident	88.9	Confident	7 Å²	7	68.2 Å²	68.2	4%	0.043	37%	0.373	C	S	.	.			trans	-112.6	134.4	-165.5	-67.7	0	0	0	0	111.1	Y69 Y72 L80 G205 V207 I275	Y69-T74 WeakPolarHBondContact CB-O 3.49Å; Y69-T74 PolarHBondContact O-N 3.15Å; Y72-T74 PolarHBondContact O-N 3.28Å; Y72-T74 VanDerWaalsContact O-N 3.16Å; Y72-T74 PolarHBondContact O-OG1 2.78Å; T74-L80 WeakPolarHBondContact OG1-CD2 3.31Å; T74-G205 WeakPolarHBondContact CG2-O 3.45Å; T74-G205 PolarHBondContact OG1-O 3.15Å; T74-V207 HydrophobicContact CG2-CG2 3.76Å; T74-I275 HydrophobicContact CG2-CD1 3.86Å; T74-I275 HydrophobicContact CG2-CG1 4.21Å
75	D	89.3	Confident	89	Confident	75 Å²	75	64.3 Å²	64.3	40%	0.401	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-89.1	135	172.5	-172.4	-72.6	0	0	0	110.9	E77 M78 G79	D75-E77 VanDerWaalsContact C-N 3.34Å; D75-E77 PolarHBondContact O-N 2.99Å; D75-E77 PolarHBondContact OD1-N 3.5Å; D75-M78 HydrophobicContact CB-CB 3.98Å; D75-M78 PolarHBondContact OD1-N 3.38Å; D75-G79 WeakPolarHBondContact O-CA 3.41Å; D75-G79 PolarHBondContact O-N 3.36Å
76	P	83.9	Confident	89.1	Confident	45 Å²	45	69 Å²	69	29%	0.292	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-21.2	-176.9	28.6	-36	0	0	0	115.2	Y69 I223	Y69-P76 HydrophobicContact CD2-CG 4.47Å; Y69-P76 HydrophobicContact CE1-CB 4.05Å; Y69-P76 HydrophobicContact CE2-CB 4.17Å; Y69-P76 HydrophobicContact CE2-CG 4.05Å; P76-I223 HydrophobicContact CB-CD1 4.38Å
77	E	85.3	Confident	89.3	Confident	157 Å²	157	72.2 Å²	72.2	73%	0.734	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-40.9	179.4	-65.6	-168.3	170	0	0	112.2	D75 V189	D75-E77 VanDerWaalsContact C-N 3.34Å; D75-E77 PolarHBondContact O-N 2.99Å; D75-E77 PolarHBondContact OD1-N 3.5Å; E77-V189 WeakPolarHBondContact O-CG1 3.35Å
78	M	85.9	Confident	89.4	Confident	100 Å²	100	68.1 Å²	68.1	49%	0.493	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-23.6	179.2	-65	-64.9	-65.9	0	0	113.1	D75 R190 D191 G192	D75-M78 HydrophobicContact CB-CB 3.98Å; D75-M78 PolarHBondContact OD1-N 3.38Å; M78-R190 CarbonylContact O-C 3.59Å; M78-D191 PolarHBondContact O-N 2.59Å; M78-D191 VanDerWaalsContact O-N 3.15Å; M78-G192 PolarHBondContact O-N 3.19Å
79	G	90.3	Very high	89.6	Confident	9 Å²	9	70.7 Å²	70.7	9%	0.093	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	70	-156.4	-172.3	0	0	0	0	0	112.9	D75	D75-G79 WeakPolarHBondContact O-CA 3.41Å; D75-G79 PolarHBondContact O-N 3.36Å
80	L	91.4	Very high	89.7	Confident	5 Å²	5	76 Å²	76	3%	0.026	39%	0.386	C	S	.	.	B	Isolated β-bridge	trans	-81.5	156.3	169.8	-72.5	176.9	0	0	0	111.1	T74 I88 R190 D191 V203	T74-L80 WeakPolarHBondContact OG1-CD2 3.31Å; L80-I88 HydrophobicContact CD1-CD1 4.05Å; L80-R190 WeakPolarHBondContact O-CA 3.23Å; L80-R190 WeakPolarHBondContact O-CB 3.3Å; L80-D191 PolarHBondContact O-N 3.36Å; L80-D191 VanDerWaalsContact O-N 3.09Å; L80-V203 HydrophobicContact CD1-CG2 3.99Å
81	S	91.2	Very high	89.8	Confident	50 Å²	50	76 Å²	76	35%	0.35	38%	0.379	S	S	.	.			trans	-78.9	150.9	166.8	64.3	0	0	0	0	111.3	D83 C84 A85 D191	S81-D83 PolarHBondContact O-N 3Å; S81-C84 PolarHBondContact O-N 2.93Å; S81-C84 WeakPolarHBondContact OG-CB 3.35Å; S81-C84 PolarHBondContact OG-N 3.48Å; S81-A85 WeakPolarHBondContact O-CB 3.47Å; S81-A85 PolarHBondContact O-N 3.45Å; S81-D191 WeakPolarHBondContact CA-OD1 3.49Å; S81-D191 WeakPolarHBondContact CB-OD1 3.49Å
82	E	89.5	Confident	89.8	Confident	95 Å²	95	74.4 Å²	74.4	44%	0.444	38%	0.379	S	S	.	.	H	α-helix	trans	-57.2	-33.9	177.6	-80.4	-174	169	0	0	113.7	R86 D191 K195	E82-R86 VanDerWaalsContact O-CB 3.31Å; E82-R86 WeakPolarHBondContact O-CB 3.4Å; E82-R86 PolarHBondContact O-N 3.09Å; E82-D191 PolarHBondContact N-OD2 2.87Å; E82-K195 IonicContact OE1-NZ 2.6Å; E82-K195 PolarHBondContact OE1-NZ 3.24Å
83	D	90.9	Very high	89.9	Confident	107 Å²	107	73.6 Å²	73.6	57%	0.572	38%	0.383	S	S	*	.	H	α-helix	trans	-67.8	-45.2	176.9	-73.5	-28.7	0	0	0	112.2	S81 R86 E87	S81-D83 PolarHBondContact O-N 3Å; D83-R86 PolarHBondContact O-N 2.96Å; D83-R86 IonicContact OD1-CZ 2.96Å; D83-R86 IonicContact OD1-NH2 3.32Å; D83-R86 PolarHBondContact OD1-NH2 3.03Å; D83-E87 PolarHBondContact O-N 2.96Å
84	C	90.4	Very high	90.1	Very high	43 Å²	43	74.4 Å²	74.4	29%	0.291	38%	0.376	S	S	.	.	H	α-helix	trans	-67	-42.6	177.9	-173.3	0	0	0	0	111.1	S81 R86 E87 I88	S81-C84 PolarHBondContact O-N 2.93Å; S81-C84 WeakPolarHBondContact OG-CB 3.35Å; S81-C84 PolarHBondContact OG-N 3.48Å; C84-R86 VanDerWaalsContact C-N 3.29Å; C84-R86 PolarHBondContact O-N 3.41Å; C84-E87 PolarHBondContact O-N 3.41Å; C84-I88 VanDerWaalsContact O-CG1 3.32Å; C84-I88 WeakPolarHBondContact O-CG1 3.39Å; C84-I88 PolarHBondContact O-N 3.06Å
85	A	91.1	Very high	90.2	Very high	1 Å²	1	74.1 Å²	74.1	1%	0.008	37%	0.374	C	S	.	.	H	α-helix	trans	-61	-38.8	177	0	0	0	0	0	112.1	S81 I88 L89 R190 V203	S81-A85 WeakPolarHBondContact O-CB 3.47Å; S81-A85 PolarHBondContact O-N 3.45Å; A85-I88 PolarHBondContact O-N 3.2Å; A85-L89 WeakPolarHBondContact O-CB 3.42Å; A85-L89 PolarHBondContact O-N 2.94Å; A85-R190 VanDerWaalsContact CB-CZ 3.49Å; A85-V203 HydrophobicContact CB-CG2 3.92Å
86	R	91.8	Very high	90.1	Very high	144 Å²	144	72 Å²	72	54%	0.543	37%	0.367	S	S	.	.	H	α-helix	trans	-67	-41.2	174.2	171.8	166.9	48.7	163.8	-5.7	113	E82 D83 C84 I88 L89 E90	E82-R86 VanDerWaalsContact O-CB 3.31Å; E82-R86 WeakPolarHBondContact O-CB 3.4Å; E82-R86 PolarHBondContact O-N 3.09Å; D83-R86 PolarHBondContact O-N 2.96Å; D83-R86 IonicContact OD1-CZ 2.96Å; D83-R86 IonicContact OD1-NH2 3.32Å; D83-R86 PolarHBondContact OD1-NH2 3.03Å; C84-R86 VanDerWaalsContact C-N 3.29Å; C84-R86 PolarHBondContact O-N 3.41Å; R86-I88 VanDerWaalsContact C-N 3.33Å; R86-I88 PolarHBondContact O-N 3.15Å; R86-L89 PolarHBondContact O-N 3.44Å; R86-E90 PolarHBondContact O-N 3.25Å
87	E	92.8	Very high	90.1	Very high	143 Å²	143	70.3 Å²	70.3	67%	0.668	36%	0.355	S	S	*	.	H	α-helix	trans	-62.5	-40.9	175.4	-173	177	-173.2	0	0	111.4	D83 C84 E90 R91	D83-E87 PolarHBondContact O-N 2.96Å; C84-E87 PolarHBondContact O-N 3.41Å; E87-E90 PolarHBondContact O-N 2.92Å; E87-R91 WeakPolarHBondContact O-CB 3.43Å; E87-R91 PolarHBondContact O-N 3.27Å
88	I	92.2	Very high	89.9	Confident	17 Å²	17	66.9 Å²	66.9	9%	0.087	35%	0.345	C	S	.	.	H	α-helix	trans	-66.8	-40.3	175.1	-61.7	165	0	0	0	110.9	L80 C84 A85 R86 E90 R91 D92 V203	L80-I88 HydrophobicContact CD1-CD1 4.05Å; C84-I88 VanDerWaalsContact O-CG1 3.32Å; C84-I88 WeakPolarHBondContact O-CG1 3.39Å; C84-I88 PolarHBondContact O-N 3.06Å; A85-I88 PolarHBondContact O-N 3.2Å; R86-I88 VanDerWaalsContact C-N 3.33Å; R86-I88 PolarHBondContact O-N 3.15Å; I88-E90 VanDerWaalsContact C-N 3.34Å; I88-E90 PolarHBondContact O-N 3.09Å; I88-R91 PolarHBondContact O-N 2.99Å; I88-R91 VanDerWaalsContact O-N 3.13Å; I88-D92 WeakPolarHBondContact CG2-OD2 3.45Å; I88-D92 PolarHBondContact O-N 2.85Å; I88-V203 HydrophobicContact CB-CB 4.15Å; I88-V203 HydrophobicContact CB-CG1 4.31Å; I88-V203 HydrophobicContact CB-CG2 4.3Å; I88-V203 HydrophobicContact CG2-CB 3.72Å; I88-V203 HydrophobicContact CG2-CG1 4.11Å; I88-V203 HydrophobicContact CG2-CG2 4.28Å
89	L	92.8	Very high	89.2	Confident	53 Å²	53	65.1 Å²	65.1	28%	0.277	34%	0.342	S	S	.	.	H	α-helix	trans	-62.3	-38.3	176.9	-172	66.1	0	0	0	112.5	A85 R86 G93 V203	A85-L89 WeakPolarHBondContact O-CB 3.42Å; A85-L89 PolarHBondContact O-N 2.94Å; R86-L89 PolarHBondContact O-N 3.44Å; L89-G93 CarbonylContact O-C 3.56Å; L89-G93 VanDerWaalsContact O-CA 3.25Å; L89-G93 WeakPolarHBondContact O-CA 3.49Å; L89-G93 PolarHBondContact O-N 3.44Å; L89-V203 HydrophobicContact CB-CG1 3.74Å; L89-V203 HydrophobicContact CD1-CG1 3.95Å; L89-V203 HydrophobicContact CG-CG1 4.44Å
90	E	92.1	Very high	88.2	Confident	164 Å²	164	67.3 Å²	67.3	77%	0.766	35%	0.354	S	S	*	.	H	α-helix	trans	-72	-29.7	173.6	-72.4	-175.3	-168.2	0	0	112.8	R86 E87 I88	R86-E90 PolarHBondContact O-N 3.25Å; E87-E90 PolarHBondContact O-N 2.92Å; I88-E90 VanDerWaalsContact C-N 3.34Å; I88-E90 PolarHBondContact O-N 3.09Å
91	R	91	Very high	87.1	Confident	163 Å²	163	77 Å²	77	62%	0.615	40%	0.396	S	S	*	.	H	α-helix	trans	-76.8	-51.5	179.8	-173.1	-169.6	74.9	-157.5	-0.7	113.1	E87 I88	E87-R91 WeakPolarHBondContact O-CB 3.43Å; E87-R91 PolarHBondContact O-N 3.27Å; I88-R91 PolarHBondContact O-N 2.99Å; I88-R91 VanDerWaalsContact O-N 3.13Å
92	D	89.4	Confident	86.1	Confident	80 Å²	80	80.9 Å²	80.9	43%	0.428	41%	0.407	S	S	.	.	H	α-helix	trans	-97.3	-20.9	-170.6	-62.6	-14.6	0	0	0	112.2	I88	I88-D92 WeakPolarHBondContact CG2-OD2 3.45Å; I88-D92 PolarHBondContact O-N 2.85Å
93	G	91.2	Very high	85.5	Confident	23 Å²	23	80.2 Å²	80.2	24%	0.237	41%	0.409	C	S	.	.			trans	89.5	177.7	-174.4	0	0	0	0	0	113.4	L89	L89-G93 CarbonylContact O-C 3.56Å; L89-G93 VanDerWaalsContact O-CA 3.25Å; L89-G93 WeakPolarHBondContact O-CA 3.49Å; L89-G93 PolarHBondContact O-N 3.44Å
94	P	91.8	Very high	85.1	Confident	82 Å²	82	78.2 Å²	78.2	53%	0.532	40%	0.402	S	S	.	.			trans	-70.3	149.3	-177.6	30	-35.5	0	0	0	112.2	A96 E200	P94-A96 PolarHBondContact O-N 2.74Å; P94-E200 CarbonylContact C-O 3.5Å; P94-E200 VanDerWaalsContact CA-O 3.26Å; P94-E200 WeakPolarHBondContact CA-O 3.37Å; P94-E200 HydrophobicContact CB-CB 4.36Å; P94-E200 WeakPolarHBondContact CB-O 3.26Å
95	N	91.1	Very high	84.8	Confident	0 Å²	0	79.7 Å²	79.7	0%	0	40%	0.404	C	S	.	.	S	Bend	trans	-74.1	73.8	171.8	176.2	42.9	0	0	0	111	T199 E200 V202 P217 T279 G280	N95-T199 WeakPolarHBondContact CB-O 3.35Å; N95-T199 PolarHBondContact ND2-O 3.39Å; N95-E200 PolarHBondContact N-O 2.72Å; N95-V202 HydrophobicContact CB-CB 4.47Å; N95-V202 VanDerWaalsContact CB-O 3.23Å; N95-V202 WeakPolarHBondContact CB-O 3.32Å; N95-P217 PolarHBondContact ND2-O 3.32Å; N95-T279 HydrophobicContact CB-CG2 4.06Å; N95-T279 WeakPolarHBondContact OD1-CA 3.28Å; N95-T279 WeakPolarHBondContact OD1-CB 3.36Å; N95-G280 PolarHBondContact OD1-N 3.18Å
96	A	85.8	Confident	84.7	Confident	30 Å²	30	88.7 Å²	88.7	25%	0.248	44%	0.438	C	S	.	.	S	Bend	trans	-145	155.5	178	0	0	0	0	0	110.3	P94 G280	P94-A96 PolarHBondContact O-N 2.74Å; A96-G280 WeakPolarHBondContact O-CA 3.14Å
97	L	83.8	Confident	84.6	Confident	10 Å²	10	84.4 Å²	84.4	5%	0.052	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-80	128.8	177.4	-61.3	-179.2	0	0	0	111.3	P99 F178 F263 D281 G286 A289	L97-P99 WeakPolarHBondContact O-CD 3.32Å; L97-F178 HydrophobicContact CD1-CB 4.13Å; L97-F263 HydrophobicContact CD1-CE1 4.3Å; L97-F263 HydrophobicContact CD2-CE1 4.08Å; L97-F263 HydrophobicContact CG-CE1 4.18Å; L97-D281 WeakPolarHBondContact CA-OD1 3.35Å; L97-G286 VanDerWaalsContact CD2-CA 3.43Å; L97-A289 HydrophobicContact CD1-CB 4.06Å
98	T	80.9	Confident	84.1	Confident	85 Å²	85	79 Å²	79	52%	0.521	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-73.9	119.5	179.8	-59.5	0	0	0	0	110	D281	T98-D281 WeakPolarHBondContact CB-OD2 3.13Å; T98-D281 PolarHBondContact N-OD1 3.15Å; T98-D281 PolarHBondContact N-OD2 2.98Å; T98-D281 PolarHBondContact OG1-OD2 3.19Å
99	P	72.3	Confident	83.9	Confident	64 Å²	64	81.2 Å²	81.2	42%	0.416	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-68.4	138.2	177.7	28.4	-34.2	0	0	0	111.1	L97 M175	L97-P99 WeakPolarHBondContact O-CD 3.32Å; P99-M175 HydrophobicContact CB-CG 3.78Å
100	P	68.1	Low	83.7	Confident	55 Å²	55	80.1 Å²	80.1	36%	0.357	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-61	151.8	175.3	29.4	-38.2	0	0	0	110	K102 M175	P100-K102 PolarHBondContact O-N 3.19Å; P100-M175 VanDerWaalsContact CD-CE 3.44Å; P100-M175 HydrophobicContact CG-CE 4.46Å
101	K	69.8	Low	83.4	Confident	207 Å²	207	79 Å²	79	90%	0.9	40%	0.402	S	S	*	.			trans	-67	95.9	177.6	-65.1	-178.6	-176	178.3	0	109.4	V103	K101-V103 PolarHBondContact O-N 2.93Å
102	K	70.3	Confident	83	Confident	133 Å²	133	71.9 Å²	71.9	58%	0.578	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-51.9	125	174.1	-67.4	-171.4	176.7	-173.1	0	108.6	P100 P104 E176	P100-K102 PolarHBondContact O-N 3.19Å; K102-P104 WeakPolarHBondContact O-CD 3.43Å; K102-E176 IonicContact NZ-OE1 2.79Å; K102-E176 PolarHBondContact NZ-OE1 3.09Å
103	V	75.2	Confident	82.8	Confident	80 Å²	80	69 Å²	69	49%	0.485	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-61.1	123.9	170.4	177.4	0	0	0	0	107.2	K101 E105 V107 K108	K101-V103 PolarHBondContact O-N 2.93Å; V103-E105 PolarHBondContact O-N 2.92Å; V103-V107 HydrophobicContact CG1-CB 3.95Å; V103-V107 HydrophobicContact CG1-CG1 4.01Å; V103-K108 HydrophobicContact CG1-CG 4.08Å
104	P	84.3	Confident	82.5	Confident	66 Å²	66	73.5 Å²	73.5	43%	0.429	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-58.1	137.1	-178.3	-24.1	33.3	0	0	0	111.1	K102 W106 V107 K108	K102-P104 WeakPolarHBondContact O-CD 3.43Å; P104-W106 HydrophobicContact CB-CG 4.4Å; P104-W106 PolarHBondContact O-N 3.39Å; P104-W106 VanDerWaalsContact O-N 3.13Å; P104-V107 HydrophobicContact CB-CG2 4.11Å; P104-V107 HydrophobicContact CG-CG2 4.25Å; P104-V107 WeakPolarHBondContact O-CA 3.48Å; P104-V107 WeakPolarHBondContact O-CB 3.38Å; P104-V107 PolarHBondContact O-N 3.49Å; P104-K108 PolarHBondContact O-N 2.81Å
105	E	84.1	Confident	81.7	Confident	73 Å²	73	71.3 Å²	71.3	34%	0.341	37%	0.366	S	S	.	.	H	α-helix	trans	-57.6	-33.1	-174	-65.2	-54.7	136.8	0	0	113.2	V103 V107 K108 F109 Y165	V103-E105 PolarHBondContact O-N 2.92Å; E105-V107 VanDerWaalsContact C-N 3.26Å; E105-V107 PolarHBondContact O-N 3.41Å; E105-K108 VanDerWaalsContact CD-NZ 3.32Å; E105-K108 PolarHBondContact O-N 2.94Å; E105-K108 IonicContact OE1-NZ 2.77Å; E105-K108 PolarHBondContact OE1-NZ 2.82Å; E105-K108 WeakPolarHBondContact OE2-CD 3.33Å; E105-K108 IonicContact OE2-NZ 3.72Å; E105-K108 PolarHBondContact OE2-NZ 3.43Å; E105-K108 VanDerWaalsContact OE2-NZ 3.15Å; E105-F109 PolarHBondContact O-N 2.93Å; E105-Y165 HydrophobicContact CB-CE2 4.35Å; E105-Y165 PolarHBondContact OE2-OH 3.48Å
106	W	89.1	Confident	81	Confident	190 Å²	190	73 Å²	73	72%	0.72	38%	0.384	S	S	*	.	H	α-helix	trans	-64	-28.2	174.3	72.1	-98.2	0	0	0	113.5	P104 A110	P104-W106 HydrophobicContact CB-CG 4.4Å; P104-W106 PolarHBondContact O-N 3.39Å; P104-W106 VanDerWaalsContact O-N 3.13Å; W106-A110 VanDerWaalsContact O-CB 3.27Å; W106-A110 WeakPolarHBondContact O-CB 3.36Å; W106-A110 PolarHBondContact O-N 3.32Å
107	V	88.6	Confident	80.5	Confident	54 Å²	54	71.7 Å²	71.7	33%	0.327	37%	0.373	S	S	.	.	H	α-helix	trans	-73.7	-38.8	175.6	-180	0	0	0	0	110.4	V103 P104 E105 A110 K111	V103-V107 HydrophobicContact CG1-CB 3.95Å; V103-V107 HydrophobicContact CG1-CG1 4.01Å; P104-V107 HydrophobicContact CB-CG2 4.11Å; P104-V107 HydrophobicContact CG-CG2 4.25Å; P104-V107 WeakPolarHBondContact O-CA 3.48Å; P104-V107 WeakPolarHBondContact O-CB 3.38Å; P104-V107 PolarHBondContact O-N 3.49Å; E105-V107 VanDerWaalsContact C-N 3.26Å; E105-V107 PolarHBondContact O-N 3.41Å; V107-A110 PolarHBondContact O-N 3.14Å; V107-K111 WeakPolarHBondContact O-CB 3.42Å; V107-K111 PolarHBondContact O-N 2.9Å
108	K	82.4	Confident	80.4	Confident	31 Å²	31	71.7 Å²	71.7	14%	0.135	37%	0.374	C	S	.	.	H	α-helix	trans	-63.1	-49.2	173.1	-58.4	-179.5	-171.9	165.1	0	110.5	V103 P104 E105 A110 K111 N112 Y165 S172	V103-K108 HydrophobicContact CG1-CG 4.08Å; P104-K108 PolarHBondContact O-N 2.81Å; E105-K108 VanDerWaalsContact CD-NZ 3.32Å; E105-K108 PolarHBondContact O-N 2.94Å; E105-K108 IonicContact OE1-NZ 2.77Å; E105-K108 PolarHBondContact OE1-NZ 2.82Å; E105-K108 WeakPolarHBondContact OE2-CD 3.33Å; E105-K108 IonicContact OE2-NZ 3.72Å; E105-K108 PolarHBondContact OE2-NZ 3.43Å; E105-K108 VanDerWaalsContact OE2-NZ 3.15Å; K108-A110 VanDerWaalsContact C-N 3.35Å; K108-A110 PolarHBondContact O-N 3.48Å; K108-K111 WeakPolarHBondContact O-CB 3.2Å; K108-K111 PolarHBondContact O-N 2.93Å; K108-K111 VanDerWaalsContact O-N 3.12Å; K108-N112 PolarHBondContact O-N 2.88Å; K108-N112 VanDerWaalsContact O-N 3.11Å; K108-Y165 HydrophobicContact CB-CD2 4.3Å; K108-Y165 HydrophobicContact CB-CE2 4.33Å; K108-S172 PolarHBondContact NZ-OG 3.14Å
109	F	87.2	Confident	80.6	Confident	62 Å²	62	71.9 Å²	71.9	27%	0.272	37%	0.371	S	S	.	.	H	α-helix	trans	-56	-46.8	175.6	-176.8	-115.3	0	0	0	112.3	E105 K111 N112 L113 I162 Y165	E105-F109 PolarHBondContact O-N 2.93Å; F109-K111 PolarHBondContact O-N 3.05Å; F109-N112 PolarHBondContact O-N 2.88Å; F109-L113 HydrophobicContact CD1-CD1 3.86Å; F109-L113 HydrophobicContact CE1-CD1 3.43Å; F109-L113 VanDerWaalsContact CE1-CD1 3.43Å; F109-L113 HydrophobicContact CE1-CG 4.32Å; F109-L113 HydrophobicContact CE2-CD1 4.35Å; F109-L113 HydrophobicContact CE2-CG 4.42Å; F109-L113 HydrophobicContact CG-CD1 4.5Å; F109-L113 HydrophobicContact CZ-CD1 3.71Å; F109-L113 HydrophobicContact CZ-CD2 4.41Å; F109-L113 HydrophobicContact CZ-CG 4.21Å; F109-L113 WeakPolarHBondContact O-CG 3.08Å; F109-L113 PolarHBondContact O-N 3.25Å; F109-I162 HydrophobicContact CE2-CG1 3.79Å; F109-I162 HydrophobicContact CZ-CG1 4.14Å; F109-Y165 HydrophobicContact CB-CD2 3.96Å; F109-Y165 HydrophobicContact CB-CE2 4.34Å; F109-Y165 HydrophobicContact CB-CG 4.22Å; F109-Y165 HydrophobicContact CD2-CD1 4.06Å; F109-Y165 HydrophobicContact CD2-CD2 4.4Å; F109-Y165 AromaticContact CD2-CG 3.79Å; F109-Y165 HydrophobicContact CD2-CG 3.79Å; F109-Y165 HydrophobicContact CG-CG 4.48Å
110	A	89.3	Confident	81.1	Confident	30 Å²	30	69.9 Å²	69.9	25%	0.248	36%	0.357	C	S	.	.	H	α-helix	trans	-63.6	-38.5	175.7	0	0	0	0	0	113	W106 V107 K108 N112 L113 F114	W106-A110 VanDerWaalsContact O-CB 3.27Å; W106-A110 WeakPolarHBondContact O-CB 3.36Å; W106-A110 PolarHBondContact O-N 3.32Å; V107-A110 PolarHBondContact O-N 3.14Å; K108-A110 VanDerWaalsContact C-N 3.35Å; K108-A110 PolarHBondContact O-N 3.48Å; A110-N112 VanDerWaalsContact C-N 3.29Å; A110-N112 PolarHBondContact O-N 2.87Å; A110-L113 PolarHBondContact O-N 2.95Å; A110-F114 WeakPolarHBondContact O-CD2 3.42Å; A110-F114 PolarHBondContact O-N 2.88Å
111	K	85.2	Confident	82	Confident	140 Å²	140	67.8 Å²	67.8	61%	0.609	34%	0.343	S	S	*	.	H	α-helix	trans	-59.5	-41.1	176.3	-175	-167.3	168.4	-149.1	0	111.4	V107 K108 F109 F114 G115	V107-K111 WeakPolarHBondContact O-CB 3.42Å; V107-K111 PolarHBondContact O-N 2.9Å; K108-K111 WeakPolarHBondContact O-CB 3.2Å; K108-K111 PolarHBondContact O-N 2.93Å; K108-K111 VanDerWaalsContact O-N 3.12Å; F109-K111 PolarHBondContact O-N 3.05Å; K111-F114 PolarHBondContact O-N 3.15Å; K111-G115 PolarHBondContact O-N 2.93Å
112	N	82.3	Confident	82.9	Confident	14 Å²	14	60.6 Å²	60.6	8%	0.075	31%	0.31	C	S	.	.	H	α-helix	trans	-72.5	-38.8	179.5	-60.3	-17.7	0	0	0	111.5	K108 F109 A110 F114 G115 Q164 E168	K108-N112 PolarHBondContact O-N 2.88Å; K108-N112 VanDerWaalsContact O-N 3.11Å; F109-N112 PolarHBondContact O-N 2.88Å; A110-N112 VanDerWaalsContact C-N 3.29Å; A110-N112 PolarHBondContact O-N 2.87Å; N112-F114 PolarHBondContact O-N 2.82Å; N112-G115 PolarHBondContact O-N 2.73Å; N112-Q164 HydrophobicContact CB-CB 4.2Å; N112-E168 PolarHBondContact ND2-OE2 2.91Å; N112-E168 PolarHBondContact OD1-OE2 2.93Å
113	L	87	Confident	83.7	Confident	20 Å²	20	58 Å²	58	11%	0.105	30%	0.302	C	S	.	.	H	α-helix	trans	-64.3	-20.3	174.9	-74.5	176	0	0	0	115.2	F109 A110 A118 W122 V157 I158	F109-L113 HydrophobicContact CD1-CD1 3.86Å; F109-L113 HydrophobicContact CE1-CD1 3.43Å; F109-L113 VanDerWaalsContact CE1-CD1 3.43Å; F109-L113 HydrophobicContact CE1-CG 4.32Å; F109-L113 HydrophobicContact CE2-CD1 4.35Å; F109-L113 HydrophobicContact CE2-CG 4.42Å; F109-L113 HydrophobicContact CG-CD1 4.5Å; F109-L113 HydrophobicContact CZ-CD1 3.71Å; F109-L113 HydrophobicContact CZ-CD2 4.41Å; F109-L113 HydrophobicContact CZ-CG 4.21Å; F109-L113 WeakPolarHBondContact O-CG 3.08Å; F109-L113 PolarHBondContact O-N 3.25Å; A110-L113 PolarHBondContact O-N 2.95Å; L113-A118 WeakPolarHBondContact O-CB 3.23Å; L113-W122 VanDerWaalsContact O-CD1 3.29Å; L113-W122 PolarHBondContact O-NE1 3.16Å; L113-V157 HydrophobicContact CD2-CG1 4.37Å; L113-I158 HydrophobicContact CD2-CG1 4.45Å
114	F	84.1	Confident	84.1	Confident	118 Å²	118	54.4 Å²	54.4	52%	0.518	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	12.5	-178.7	-63	-63.1	0	0	0	113.4	A110 K111 N112 W122	A110-F114 WeakPolarHBondContact O-CD2 3.42Å; A110-F114 PolarHBondContact O-N 2.88Å; K111-F114 PolarHBondContact O-N 3.15Å; N112-F114 PolarHBondContact O-N 2.82Å; F114-W122 AromaticContact CD1-CD1 3.59Å; F114-W122 HydrophobicContact CD1-CG 4.47Å; F114-W122 AromaticContact CD1-NE1 3.67Å; F114-W122 AromaticContact CE1-CD1 3.67Å; F114-W122 HydrophobicContact CE1-CD2 4.49Å; F114-W122 HydrophobicContact CE1-CG 4.27Å; F114-W122 AromaticContact CE1-NE1 3.5Å
115	G	75.6	Confident	84.3	Confident	35 Å²	35	51.3 Å²	51.3	36%	0.361	26%	0.26	S	S	.	.	S	Bend	trans	-87.8	135.6	179.5	0	0	0	0	0	113.7	K111 N112 F117 A118	K111-G115 PolarHBondContact O-N 2.93Å; N112-G115 PolarHBondContact O-N 2.73Å; G115-F117 PolarHBondContact O-N 3.2Å; G115-A118 VanDerWaalsContact O-CB 3.27Å; G115-A118 WeakPolarHBondContact O-CB 3.49Å; G115-A118 PolarHBondContact O-N 3.07Å; G115-A118 VanDerWaalsContact O-N 3.15Å
116	G	75.2	Confident	84.6	Confident	35 Å²	35	51.6 Å²	51.6	36%	0.361	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	-127.9	168.4	0	0	0	0	0	114.3	A118 L119	G116-A118 PolarHBondContact O-N 2.88Å; G116-A118 VanDerWaalsContact O-N 3.16Å; G116-L119 WeakPolarHBondContact O-CB 2.99Å; G116-L119 PolarHBondContact O-N 3.47Å; G116-L119 VanDerWaalsContact O-N 3.07Å
117	F	75.3	Confident	84.4	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.018	24%	0.244	C	C	.	.	H	α-helix	trans	-55.3	-30.3	179.5	-67.3	-50.4	0	0	0	113.8	G115 L119 L120 L121 F309 I310 I313 V350 L355	G115-F117 PolarHBondContact O-N 3.2Å; F117-L119 PolarHBondContact O-N 2.88Å; F117-L119 VanDerWaalsContact O-N 3.17Å; F117-L120 HydrophobicContact CD1-CD1 4.31Å; F117-L120 WeakPolarHBondContact O-CB 3.27Å; F117-L120 PolarHBondContact O-N 3.07Å; F117-L121 WeakPolarHBondContact O-CG 3.36Å; F117-L121 PolarHBondContact O-N 2.88Å; F117-F309 HydrophobicContact CE2-CD1 4.35Å; F117-F309 AromaticContact CE2-CE1 3.72Å; F117-F309 HydrophobicContact CE2-CE1 3.72Å; F117-F309 HydrophobicContact CE2-CZ 4.32Å; F117-F309 HydrophobicContact CZ-CD1 4.46Å; F117-F309 AromaticContact CZ-CE1 3.88Å; F117-F309 HydrophobicContact CZ-CE1 3.88Å; F117-F309 HydrophobicContact CZ-CZ 4.12Å; F117-I310 HydrophobicContact CD1-CG2 4.29Å; F117-I310 HydrophobicContact CD2-CD1 4.47Å; F117-I310 HydrophobicContact CD2-CG1 3.85Å; F117-I310 HydrophobicContact CE1-CB 4.48Å; F117-I310 HydrophobicContact CE1-CG1 4.36Å; F117-I310 HydrophobicContact CE1-CG2 4.28Å; F117-I310 HydrophobicContact CE2-CB 4.49Å; F117-I310 HydrophobicContact CE2-CG1 3.57Å; F117-I310 HydrophobicContact CG-CG1 4.36Å; F117-I310 HydrophobicContact CZ-CB 4.3Å; F117-I310 HydrophobicContact CZ-CG1 3.85Å; F117-I313 HydrophobicContact CE1-CB 3.88Å; F117-I313 HydrophobicContact CE1-CG2 3.74Å; F117-I313 HydrophobicContact CZ-CB 3.92Å; F117-I313 HydrophobicContact CZ-CG1 4.34Å; F117-I313 HydrophobicContact CZ-CG2 4.01Å; F117-V350 HydrophobicContact CB-CG1 3.95Å; F117-V350 HydrophobicContact CD1-CG1 3.81Å; F117-V350 HydrophobicContact CD1-CG2 4.35Å; F117-V350 HydrophobicContact CG-CG1 3.97Å; F117-L355 HydrophobicContact CB-CD1 4.4Å; F117-L355 HydrophobicContact CD2-CD1 3.99Å; F117-L355 HydrophobicContact CD2-CG 4.17Å
118	A	83.1	Confident	84.2	Confident	9 Å²	9	42.2 Å²	42.2	7%	0.074	23%	0.229	C	C	.	.	H	α-helix	trans	-57.3	-33.2	177.9	0	0	0	0	0	112.1	L113 G115 G116 L121 W122 V157	L113-A118 WeakPolarHBondContact O-CB 3.23Å; G115-A118 VanDerWaalsContact O-CB 3.27Å; G115-A118 WeakPolarHBondContact O-CB 3.49Å; G115-A118 PolarHBondContact O-N 3.07Å; G115-A118 VanDerWaalsContact O-N 3.15Å; G116-A118 PolarHBondContact O-N 2.88Å; G116-A118 VanDerWaalsContact O-N 3.16Å; A118-L121 PolarHBondContact O-N 3.4Å; A118-W122 WeakPolarHBondContact O-CB 3.3Å; A118-W122 PolarHBondContact O-N 2.8Å; A118-V157 HydrophobicContact CB-CG1 3.76Å
119	L	85	Confident	84.5	Confident	90 Å²	90	44.7 Å²	44.7	47%	0.471	24%	0.24	S	C	.	.	H	α-helix	trans	-67.4	-40.8	175.5	-174.5	65.2	0	0	0	112.2	G116 F117 W122 I123	G116-L119 WeakPolarHBondContact O-CB 2.99Å; G116-L119 PolarHBondContact O-N 3.47Å; G116-L119 VanDerWaalsContact O-N 3.07Å; F117-L119 PolarHBondContact O-N 2.88Å; F117-L119 VanDerWaalsContact O-N 3.17Å; L119-W122 PolarHBondContact O-N 2.86Å; L119-I123 HydrophobicContact CG-CD1 4.24Å; L119-I123 WeakPolarHBondContact O-CD1 3.11Å; L119-I123 VanDerWaalsContact O-CG1 3.25Å; L119-I123 WeakPolarHBondContact O-CG1 3.42Å; L119-I123 PolarHBondContact O-N 3.34Å
120	L	82.8	Confident	84.5	Confident	22 Å²	22	46.2 Å²	46.2	12%	0.115	25%	0.25	C	C	.	.	H	α-helix	trans	-65.8	-42.9	175.4	-68.4	177.1	0	0	0	111.4	F117 I123 G124 T314 V350	F117-L120 HydrophobicContact CD1-CD1 4.31Å; F117-L120 WeakPolarHBondContact O-CB 3.27Å; F117-L120 PolarHBondContact O-N 3.07Å; L120-I123 PolarHBondContact O-N 3.39Å; L120-G124 PolarHBondContact O-N 3.12Å; L120-T314 HydrophobicContact CD1-CG2 3.95Å; L120-T314 HydrophobicContact CD2-CG2 4.27Å; L120-T314 HydrophobicContact CG-CG2 4.49Å; L120-V350 HydrophobicContact CB-CG2 4.33Å; L120-V350 HydrophobicContact CD1-CG2 3.79Å
121	L	85.6	Confident	84.2	Confident	10 Å²	10	45.1 Å²	45.1	5%	0.052	24%	0.241	C	C	.	.	H	α-helix	trans	-67.5	-35.5	177.7	-63.4	176.7	0	0	0	111.8	F117 A118 G124 S125 L153 V156 V157 V350 E352	F117-L121 WeakPolarHBondContact O-CG 3.36Å; F117-L121 PolarHBondContact O-N 2.88Å; A118-L121 PolarHBondContact O-N 3.4Å; L121-G124 PolarHBondContact O-N 2.8Å; L121-S125 VanDerWaalsContact O-CB 3.24Å; L121-S125 WeakPolarHBondContact O-CB 3.39Å; L121-S125 PolarHBondContact O-N 3.11Å; L121-L153 HydrophobicContact CD2-CD2 4.14Å; L121-V156 HydrophobicContact CD1-CG1 4.42Å; L121-V157 HydrophobicContact CB-CG2 3.35Å; L121-V157 HydrophobicContact CD1-CG2 3.89Å; L121-V157 HydrophobicContact CG-CG2 4.28Å; L121-V350 HydrophobicContact CD1-CG1 4.35Å; L121-V350 HydrophobicContact CD2-CB 4.27Å; L121-V350 HydrophobicContact CD2-CG1 3.82Å; L121-V350 HydrophobicContact CG-CG1 4.06Å; L121-E352 HydrophobicContact CD1-CG 3.96Å; L121-E352 HydrophobicContact CD2-CG 3.79Å
122	W	89.9	Confident	84.2	Confident	57 Å²	57	40.3 Å²	40.3	22%	0.216	22%	0.219	C	C	.	.	H	α-helix	trans	-62.7	-43.6	168.7	-83.9	124.8	0	0	0	112.4	L113 F114 A118 L119 S125 V126 A154 V157 I158	L113-W122 VanDerWaalsContact O-CD1 3.29Å; L113-W122 PolarHBondContact O-NE1 3.16Å; F114-W122 AromaticContact CD1-CD1 3.59Å; F114-W122 HydrophobicContact CD1-CG 4.47Å; F114-W122 AromaticContact CD1-NE1 3.67Å; F114-W122 AromaticContact CE1-CD1 3.67Å; F114-W122 HydrophobicContact CE1-CD2 4.49Å; F114-W122 HydrophobicContact CE1-CG 4.27Å; F114-W122 AromaticContact CE1-NE1 3.5Å; A118-W122 WeakPolarHBondContact O-CB 3.3Å; A118-W122 PolarHBondContact O-N 2.8Å; L119-W122 PolarHBondContact O-N 2.86Å; W122-S125 PolarHBondContact O-N 3.03Å; W122-V126 WeakPolarHBondContact O-CB 3.24Å; W122-V126 WeakPolarHBondContact O-CG2 3.35Å; W122-V126 PolarHBondContact O-N 3.44Å; W122-A154 HydrophobicContact CH2-CB 4.25Å; W122-A154 HydrophobicContact CZ3-CB 3.85Å; W122-V157 HydrophobicContact CD2-CG1 4.4Å; W122-V157 HydrophobicContact CZ2-CB 4.41Å; W122-V157 HydrophobicContact CZ2-CG1 3.97Å; W122-V157 VanDerWaalsContact NE1-CG1 3.3Å; W122-I158 HydrophobicContact CH2-CD1 4.42Å; W122-I158 HydrophobicContact CH2-CG1 4.37Å; W122-I158 HydrophobicContact CZ2-CG1 4.42Å
123	I	85.9	Confident	84.5	Confident	79 Å²	79	41.4 Å²	41.4	41%	0.405	23%	0.234	S	C	.	.	H	α-helix	trans	-61.6	-46.3	175.5	-70.5	163.3	0	0	0	110	L119 L120 V126 L127	L119-I123 HydrophobicContact CG-CD1 4.24Å; L119-I123 WeakPolarHBondContact O-CD1 3.11Å; L119-I123 VanDerWaalsContact O-CG1 3.25Å; L119-I123 WeakPolarHBondContact O-CG1 3.42Å; L119-I123 PolarHBondContact O-N 3.34Å; L120-I123 PolarHBondContact O-N 3.39Å; I123-V126 PolarHBondContact O-N 3.35Å; I123-L127 HydrophobicContact CG2-CD1 3.72Å; I123-L127 HydrophobicContact CG2-CG 4.33Å; I123-L127 VanDerWaalsContact O-CB 3.31Å; I123-L127 WeakPolarHBondContact O-CB 3.27Å; I123-L127 VanDerWaalsContact O-CG 3.23Å; I123-L127 WeakPolarHBondContact O-CG 3.24Å; I123-L127 PolarHBondContact O-N 3.22Å
124	G	84.1	Confident	84.4	Confident	4 Å²	4	42.1 Å²	42.1	4%	0.041	24%	0.239	C	C	.	.	H	α-helix	trans	-57.9	-48.7	174.7	0	0	0	0	0	112.4	L120 L121 L127 C128	L120-G124 PolarHBondContact O-N 3.12Å; L121-G124 PolarHBondContact O-N 2.8Å; G124-L127 PolarHBondContact O-N 3.44Å; G124-C128 WeakPolarHBondContact O-CB 3.26Å; G124-C128 PolarHBondContact O-N 2.8Å; G124-C128 PolarHBondContact O-SG 3.15Å
125	S	89	Confident	84.2	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.007	22%	0.223	C	C	.	.	H	α-helix	trans	-57.6	-51	175.9	169.5	0	0	0	0	112.3	L121 W122 L127 C128 F129 G150	L121-S125 VanDerWaalsContact O-CB 3.24Å; L121-S125 WeakPolarHBondContact O-CB 3.39Å; L121-S125 PolarHBondContact O-N 3.11Å; W122-S125 PolarHBondContact O-N 3.03Å; S125-L127 PolarHBondContact O-N 2.86Å; S125-C128 WeakPolarHBondContact O-CB 3.26Å; S125-C128 PolarHBondContact O-N 3.13Å; S125-F129 WeakPolarHBondContact O-CD2 3.44Å; S125-F129 PolarHBondContact O-N 2.89Å; S125-F129 WeakPolarHBondContact OG-CE2 3.47Å; S125-G150 PolarHBondContact OG-O 2.86Å; S125-G150 VanDerWaalsContact OG-O 3.05Å
126	V	89.8	Confident	84.7	Confident	79 Å²	79	41.4 Å²	41.4	48%	0.479	23%	0.232	S	C	.	.	H	α-helix	trans	-62.9	-41.7	178.9	170	0	0	0	0	111.1	W122 I123 C128 F129 I130	W122-V126 WeakPolarHBondContact O-CB 3.24Å; W122-V126 WeakPolarHBondContact O-CG2 3.35Å; W122-V126 PolarHBondContact O-N 3.44Å; I123-V126 PolarHBondContact O-N 3.35Å; V126-C128 VanDerWaalsContact C-N 3.35Å; V126-F129 PolarHBondContact O-N 2.82Å; V126-I130 HydrophobicContact CG1-CD1 3.94Å; V126-I130 WeakPolarHBondContact O-CG1 3.26Å; V126-I130 PolarHBondContact O-N 2.93Å
127	L	85.2	Confident	85.2	Confident	45 Å²	45	43.9 Å²	43.9	24%	0.236	25%	0.249	C	C	.	.	H	α-helix	trans	-66.2	-35.1	176.1	-72	172.4	0	0	0	112.4	I123 G124 S125 I130 A131 I343	I123-L127 HydrophobicContact CG2-CD1 3.72Å; I123-L127 HydrophobicContact CG2-CG 4.33Å; I123-L127 VanDerWaalsContact O-CB 3.31Å; I123-L127 WeakPolarHBondContact O-CB 3.27Å; I123-L127 VanDerWaalsContact O-CG 3.23Å; I123-L127 WeakPolarHBondContact O-CG 3.24Å; I123-L127 PolarHBondContact O-N 3.22Å; G124-L127 PolarHBondContact O-N 3.44Å; S125-L127 PolarHBondContact O-N 2.86Å; L127-I130 HydrophobicContact CD2-CD1 4.37Å; L127-I130 PolarHBondContact O-N 3.4Å; L127-A131 WeakPolarHBondContact O-CB 3.44Å; L127-A131 PolarHBondContact O-N 3.1Å; L127-I343 HydrophobicContact CB-CD1 3.58Å; L127-I343 HydrophobicContact CB-CG1 3.79Å; L127-I343 HydrophobicContact CD1-CG1 4.07Å
128	C	84.7	Confident	85.5	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.007	28%	0.278	C	S	.	.	H	α-helix	trans	-62.1	-43.5	172	-70.7	0	0	0	0	111.8	G124 S125 V126 I130 A131 Y132 N146	G124-C128 WeakPolarHBondContact O-CB 3.26Å; G124-C128 PolarHBondContact O-N 2.8Å; G124-C128 PolarHBondContact O-SG 3.15Å; S125-C128 WeakPolarHBondContact O-CB 3.26Å; S125-C128 PolarHBondContact O-N 3.13Å; V126-C128 VanDerWaalsContact C-N 3.35Å; C128-I130 VanDerWaalsContact C-N 3.35Å; C128-I130 PolarHBondContact O-N 3.04Å; C128-A131 PolarHBondContact O-N 2.86Å; C128-Y132 WeakPolarHBondContact O-CB 3.23Å; C128-Y132 PolarHBondContact O-N 2.86Å; C128-N146 WeakPolarHBondContact CB-O 3.43Å
129	F	88.9	Confident	85	Confident	84 Å²	84	50.5 Å²	50.5	37%	0.368	29%	0.291	S	S	.	.	H	α-helix	trans	-65.4	-35.5	174.2	-69.2	-58.6	0	0	0	112.8	S125 V126 G133 G150 I151	S125-F129 WeakPolarHBondContact O-CD2 3.44Å; S125-F129 PolarHBondContact O-N 2.89Å; S125-F129 WeakPolarHBondContact OG-CE2 3.47Å; V126-F129 PolarHBondContact O-N 2.82Å; F129-G133 PolarHBondContact O-N 3.32Å; F129-G150 VanDerWaalsContact CZ-C 3.48Å; F129-I151 HydrophobicContact CE1-CG1 3.97Å; F129-I151 HydrophobicContact CZ-CG1 3.86Å
130	I	87.2	Confident	84.2	Confident	93 Å²	93	54.5 Å²	54.5	48%	0.477	31%	0.313	S	S	.	.	H	α-helix	trans	-65.9	-47	173.3	-69	164.5	0	0	0	110.6	V126 L127 C128 Y132 G133 V134	V126-I130 HydrophobicContact CG1-CD1 3.94Å; V126-I130 WeakPolarHBondContact O-CG1 3.26Å; V126-I130 PolarHBondContact O-N 2.93Å; L127-I130 HydrophobicContact CD2-CD1 4.37Å; L127-I130 PolarHBondContact O-N 3.4Å; C128-I130 VanDerWaalsContact C-N 3.35Å; C128-I130 PolarHBondContact O-N 3.04Å; I130-Y132 VanDerWaalsContact C-N 3.34Å; I130-Y132 PolarHBondContact O-N 2.88Å; I130-G133 PolarHBondContact O-N 3.4Å; I130-G133 VanDerWaalsContact O-N 3.13Å; I130-V134 WeakPolarHBondContact O-CG2 3.38Å; I130-V134 PolarHBondContact O-N 2.91Å
131	A	82.6	Confident	83.6	Confident	8 Å²	8	59.1 Å²	59.1	7%	0.066	34%	0.337	C	S	.	.	H	α-helix	trans	-59.9	-43.9	177.9	0	0	0	0	0	111.6	L127 C128 V134 D135 I340	L127-A131 WeakPolarHBondContact O-CB 3.44Å; L127-A131 PolarHBondContact O-N 3.1Å; C128-A131 PolarHBondContact O-N 2.86Å; A131-V134 PolarHBondContact O-N 2.86Å; A131-D135 WeakPolarHBondContact O-CB 3.38Å; A131-D135 PolarHBondContact O-N 3.11Å; A131-I340 HydrophobicContact CB-CG1 4.25Å
132	Y	85.6	Confident	82.7	Confident	38 Å²	38	59.8 Å²	59.8	15%	0.149	34%	0.343	C	S	.	.	H	α-helix	trans	-62.1	-41.9	172.7	-177.4	-112.7	0	0	0	112.5	C128 I130 V134 D135 L136 P142 L143 H144 M147	C128-Y132 WeakPolarHBondContact O-CB 3.23Å; C128-Y132 PolarHBondContact O-N 2.86Å; I130-Y132 VanDerWaalsContact C-N 3.34Å; I130-Y132 PolarHBondContact O-N 2.88Å; Y132-V134 VanDerWaalsContact C-N 3.32Å; Y132-V134 PolarHBondContact O-N 2.91Å; Y132-D135 PolarHBondContact O-N 2.89Å; Y132-L136 VanDerWaalsContact O-CB 3.29Å; Y132-L136 WeakPolarHBondContact O-CB 3.03Å; Y132-L136 PolarHBondContact O-N 2.63Å; Y132-P142 HydrophobicContact CE2-CB 4.33Å; Y132-L143 WeakPolarHBondContact CD2-O 3.41Å; Y132-H144 AromaticContact CE2-ND1 3.77Å; Y132-H144 AromaticContact CZ-ND1 3.78Å; Y132-H144 PolarHBondContact OH-CE1 2.71Å; Y132-H144 PolarHBondContact OH-ND1 2.9Å; Y132-M147 HydrophobicContact CD1-CB 3.88Å; Y132-M147 HydrophobicContact CD1-CG 4.25Å; Y132-M147 HydrophobicContact CD2-CB 3.98Å; Y132-M147 HydrophobicContact CE1-CB 4.02Å; Y132-M147 HydrophobicContact CE1-CG 4.17Å; Y132-M147 HydrophobicContact CE1-SD 3.98Å; Y132-M147 HydrophobicContact CE2-CB 4.13Å; Y132-M147 HydrophobicContact CG-CB 3.85Å
133	G	87.5	Confident	81.8	Confident	37 Å²	37	60.1 Å²	60.1	38%	0.381	35%	0.348	S	S	.	.	H	α-helix	trans	-64.2	-32.7	177.4	0	0	0	0	0	113.9	F129 I130 A137	F129-G133 PolarHBondContact O-N 3.32Å; I130-G133 PolarHBondContact O-N 3.4Å; I130-G133 VanDerWaalsContact O-N 3.13Å; G133-A137 PolarHBondContact O-N 3.45Å
134	V	84.8	Confident	81.5	Confident	35 Å²	35	60.9 Å²	60.9	21%	0.212	35%	0.35	C	S	.	.	H	α-helix	trans	-78.6	-38.3	174.3	-178.2	0	0	0	0	111.7	I130 A131 Y132 A137 T138 L336	I130-V134 WeakPolarHBondContact O-CG2 3.38Å; I130-V134 PolarHBondContact O-N 2.91Å; A131-V134 PolarHBondContact O-N 2.86Å; Y132-V134 VanDerWaalsContact C-N 3.32Å; Y132-V134 PolarHBondContact O-N 2.91Å; V134-A137 CarbonylContact O-C 3.47Å; V134-A137 PolarHBondContact O-N 3.49Å; V134-A137 VanDerWaalsContact O-N 3.08Å; V134-T138 WeakPolarHBondContact O-CB 3.35Å; V134-T138 PolarHBondContact O-N 2.67Å; V134-T138 PolarHBondContact O-OG1 2.83Å; V134-L336 HydrophobicContact CB-CD2 3.99Å; V134-L336 HydrophobicContact CG1-CD1 3.61Å; V134-L336 HydrophobicContact CG1-CD2 3.69Å; V134-L336 HydrophobicContact CG1-CG 4.29Å; V134-L336 HydrophobicContact CG2-CD2 4.25Å
135	D	81.2	Confident	81.1	Confident	34 Å²	34	63.3 Å²	63.3	18%	0.182	36%	0.362	C	S	.	.	H	α-helix	trans	-61.3	-45.3	174.6	-168.7	29.5	0	0	0	110.7	A131 Y132 A137 T138 S139 P142 L143	A131-D135 WeakPolarHBondContact O-CB 3.38Å; A131-D135 PolarHBondContact O-N 3.11Å; Y132-D135 PolarHBondContact O-N 2.89Å; D135-A137 PolarHBondContact O-N 3.43Å; D135-A137 VanDerWaalsContact O-N 3.14Å; D135-T138 PolarHBondContact O-N 2.83Å; D135-S139 WeakPolarHBondContact O-CB 3.11Å; D135-S139 PolarHBondContact O-N 3.23Å; D135-S139 WeakPolarHBondContact OD1-CB 3.25Å; D135-S139 PolarHBondContact OD1-OG 2.82Å; D135-P142 HydrophobicContact CB-CB 4.31Å; D135-P142 VanDerWaalsContact OD2-CA 3.24Å; D135-P142 WeakPolarHBondContact OD2-CA 3.25Å; D135-P142 WeakPolarHBondContact OD2-CB 3.49Å; D135-L143 PolarHBondContact OD2-N 2.97Å
136	L	85.6	Confident	80.7	Confident	105 Å²	105	64.7 Å²	64.7	55%	0.55	37%	0.369	S	S	.	.	H	α-helix	trans	-58.4	-24.6	172.6	-177.7	65.7	0	0	0	113.9	Y132 P142	Y132-L136 VanDerWaalsContact O-CB 3.29Å; Y132-L136 WeakPolarHBondContact O-CB 3.03Å; Y132-L136 PolarHBondContact O-N 2.63Å; L136-P142 HydrophobicContact CD1-CG 3.9Å
137	A	85.8	Confident	80.6	Confident	87 Å²	87	63.1 Å²	63.1	72%	0.719	36%	0.357	S	S	*	.	H	α-helix	trans	-93.8	-11.6	178.1	0	0	0	0	0	113.9	G133 V134 D135	G133-A137 PolarHBondContact O-N 3.45Å; V134-A137 CarbonylContact O-C 3.47Å; V134-A137 PolarHBondContact O-N 3.49Å; V134-A137 VanDerWaalsContact O-N 3.08Å; D135-A137 PolarHBondContact O-N 3.43Å; D135-A137 VanDerWaalsContact O-N 3.14Å
138	T	82.3	Confident	80.6	Confident	102 Å²	102	67.9 Å²	67.9	63%	0.626	37%	0.373	S	S	*	.	H	α-helix	trans	-119	-28.2	-171.2	-47.8	0	0	0	0	112.8	V134 D135	V134-T138 WeakPolarHBondContact O-CB 3.35Å; V134-T138 PolarHBondContact O-N 2.67Å; V134-T138 PolarHBondContact O-OG1 2.83Å; D135-T138 PolarHBondContact O-N 2.83Å
139	S	72.1	Confident	80.5	Confident	50 Å²	50	68.8 Å²	68.8	35%	0.35	38%	0.378	S	S	.	.			trans	-120.1	134.8	-171.3	-55.8	0	0	0	0	111.2	D135 D141	D135-S139 WeakPolarHBondContact O-CB 3.11Å; D135-S139 PolarHBondContact O-N 3.23Å; D135-S139 WeakPolarHBondContact OD1-CB 3.25Å; D135-S139 PolarHBondContact OD1-OG 2.82Å; S139-D141 VanDerWaalsContact C-N 3.28Å; S139-D141 PolarHBondContact O-N 3.44Å
140	D	68.8	Low	80.5	Confident	173 Å²	173	64.8 Å²	64.8	93%	0.925	36%	0.36	S	S	*	.	S	Bend	trans	-67.2	-26.3	177.5	-67.3	-43.5	0	0	0	113.5
141	D	68.3	Low	80.7	Confident	119 Å²	119	64 Å²	64	64%	0.636	36%	0.356	S	S	*	.	S	Bend	trans	-129	79	178.2	-90.5	-39.4	0	0	0	110.2	S139 R930	S139-D141 VanDerWaalsContact C-N 3.28Å; S139-D141 PolarHBondContact O-N 3.44Å; D141-R930 PolarHBondContact O-NH1 3.06Å; D141-R930 PolarHBondContact O-NH2 2.98Å
142	P	68.2	Low	81	Confident	25 Å²	25	66.4 Å²	66.4	16%	0.162	37%	0.37	C	S	.	.			trans	-68.5	145.9	-176.2	29.1	-36.3	0	0	0	112.4	Y132 D135 L136 H144	Y132-P142 HydrophobicContact CE2-CB 4.33Å; D135-P142 HydrophobicContact CB-CB 4.31Å; D135-P142 VanDerWaalsContact OD2-CA 3.24Å; D135-P142 WeakPolarHBondContact OD2-CA 3.25Å; D135-P142 WeakPolarHBondContact OD2-CB 3.49Å; L136-P142 HydrophobicContact CD1-CG 3.9Å; P142-H144 PolarHBondContact O-N 3.28Å
143	L	69.8	Low	81.1	Confident	64 Å²	64	64.6 Å²	64.6	34%	0.335	36%	0.363	S	S	.	.			trans	-79	111.4	177.5	-78.7	149.4	0	0	0	110.1	Y132 D135 D145	Y132-L143 WeakPolarHBondContact CD2-O 3.41Å; D135-L143 PolarHBondContact OD2-N 2.97Å; L143-D145 PolarHBondContact O-N 3.37Å
144	H	81	Confident	81.2	Confident	94 Å²	94	63.6 Å²	63.6	44%	0.435	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-10.9	175.3	-61.4	-55.1	0	0	0	114	Y132 P142 N146 M147 Y148	Y132-H144 AromaticContact CE2-ND1 3.77Å; Y132-H144 AromaticContact CZ-ND1 3.78Å; Y132-H144 PolarHBondContact OH-CE1 2.71Å; Y132-H144 PolarHBondContact OH-ND1 2.9Å; P142-H144 PolarHBondContact O-N 3.28Å; H144-N146 VanDerWaalsContact C-N 3.3Å; H144-N146 PolarHBondContact O-N 2.64Å; H144-M147 HydrophobicContact CB-CE 4.39Å; H144-M147 WeakPolarHBondContact O-CA 3.46Å; H144-M147 VanDerWaalsContact O-CB 3.31Å; H144-M147 WeakPolarHBondContact O-CB 3.43Å; H144-M147 PolarHBondContact O-N 2.89Å; H144-Y148 HydrophobicContact CB-CD2 3.87Å; H144-Y148 HydrophobicContact CB-CE2 3.7Å; H144-Y148 VanDerWaalsContact O-CD2 3.25Å; H144-Y148 WeakPolarHBondContact O-CD2 3.42Å; H144-Y148 PolarHBondContact O-N 2.92Å
145	D	76	Confident	81.5	Confident	55 Å²	55	65.5 Å²	65.5	29%	0.294	36%	0.362	S	S	.	.	H	α-helix	trans	-50.4	-46.9	-179.7	-56.9	8.5	0	0	0	112.3	L143 M147 Y148 L149 R1016	L143-D145 PolarHBondContact O-N 3.37Å; D145-M147 VanDerWaalsContact C-N 3.32Å; D145-M147 PolarHBondContact O-N 2.86Å; D145-Y148 PolarHBondContact O-N 2.82Å; D145-L149 WeakPolarHBondContact O-CB 3.26Å; D145-L149 PolarHBondContact O-N 3.29Å; D145-R1016 VanDerWaalsContact CG-NH1 3.33Å; D145-R1016 IonicContact OD1-CZ 3.83Å; D145-R1016 IonicContact OD1-NH1 2.79Å; D145-R1016 PolarHBondContact OD1-NH1 3.23Å; D145-R1016 IonicContact OD1-NH2 2.67Å; D145-R1016 PolarHBondContact OD1-NH2 3.26Å; D145-R1016 IonicContact OD2-CZ 2.91Å; D145-R1016 IonicContact OD2-NH1 3.22Å; D145-R1016 PolarHBondContact OD2-NH1 3.11Å; D145-R1016 IonicContact OD2-NH2 2.61Å; D145-R1016 PolarHBondContact OD2-NH2 3.25Å
146	N	79.7	Confident	81.8	Confident	30 Å²	30	64.7 Å²	64.7	16%	0.16	36%	0.358	C	S	.	.	H	α-helix	trans	-65.3	-35.7	178	-70.7	-28.7	0	0	0	111.7	C128 H144 G150	C128-N146 WeakPolarHBondContact CB-O 3.43Å; H144-N146 VanDerWaalsContact C-N 3.3Å; H144-N146 PolarHBondContact O-N 2.64Å; N146-G150 PolarHBondContact O-N 3.43Å
147	M	87.4	Confident	82	Confident	47 Å²	47	59.7 Å²	59.7	23%	0.232	33%	0.332	C	S	.	.	H	α-helix	trans	-67.9	-46.6	174.8	-174.9	-168.5	71.3	0	0	111.3	Y132 H144 D145 G150 I151	Y132-M147 HydrophobicContact CD1-CB 3.88Å; Y132-M147 HydrophobicContact CD1-CG 4.25Å; Y132-M147 HydrophobicContact CD2-CB 3.98Å; Y132-M147 HydrophobicContact CE1-CB 4.02Å; Y132-M147 HydrophobicContact CE1-CG 4.17Å; Y132-M147 HydrophobicContact CE1-SD 3.98Å; Y132-M147 HydrophobicContact CE2-CB 4.13Å; Y132-M147 HydrophobicContact CG-CB 3.85Å; H144-M147 HydrophobicContact CB-CE 4.39Å; H144-M147 WeakPolarHBondContact O-CA 3.46Å; H144-M147 VanDerWaalsContact O-CB 3.31Å; H144-M147 WeakPolarHBondContact O-CB 3.43Å; H144-M147 PolarHBondContact O-N 2.89Å; D145-M147 VanDerWaalsContact C-N 3.32Å; D145-M147 PolarHBondContact O-N 2.86Å; M147-G150 PolarHBondContact O-N 2.82Å; M147-I151 HydrophobicContact CG-CD1 4.02Å; M147-I151 VanDerWaalsContact O-CG1 3.28Å; M147-I151 WeakPolarHBondContact O-CG1 3.35Å; M147-I151 PolarHBondContact O-N 2.82Å
148	Y	85.5	Confident	82.2	Confident	145 Å²	145	58.9 Å²	58.9	57%	0.569	32%	0.315	S	S	*	.	H	α-helix	trans	-62.9	-45.3	177.4	-77.1	-69.4	0	0	0	111.6	H144 D145 G150 I151 V152	H144-Y148 HydrophobicContact CB-CD2 3.87Å; H144-Y148 HydrophobicContact CB-CE2 3.7Å; H144-Y148 VanDerWaalsContact O-CD2 3.25Å; H144-Y148 WeakPolarHBondContact O-CD2 3.42Å; H144-Y148 PolarHBondContact O-N 2.92Å; D145-Y148 PolarHBondContact O-N 2.82Å; Y148-G150 PolarHBondContact O-N 3.12Å; Y148-I151 PolarHBondContact O-N 3.26Å; Y148-V152 VanDerWaalsContact O-CG2 3.32Å; Y148-V152 WeakPolarHBondContact O-CG2 3.3Å; Y148-V152 PolarHBondContact O-N 3.45Å
149	L	83	Confident	82.5	Confident	19 Å²	19	57.1 Å²	57.1	10%	0.099	30%	0.304	C	S	.	.	H	α-helix	trans	-60.5	-46	176.6	-175.6	60.5	0	0	0	111.3	D145 I151 V152 L153 L845	D145-L149 WeakPolarHBondContact O-CB 3.26Å; D145-L149 PolarHBondContact O-N 3.29Å; L149-I151 VanDerWaalsContact C-N 3.35Å; L149-I151 PolarHBondContact O-N 3.16Å; L149-V152 PolarHBondContact O-N 2.69Å; L149-L153 HydrophobicContact CD1-CD1 4.26Å; L149-L153 HydrophobicContact CD1-CG 4.17Å; L149-L153 HydrophobicContact CG-CD1 4.09Å; L149-L153 HydrophobicContact CG-CG 4.41Å; L149-L153 WeakPolarHBondContact O-CB 3.27Å; L149-L153 VanDerWaalsContact O-CG 3.29Å; L149-L153 WeakPolarHBondContact O-CG 3.43Å; L149-L153 PolarHBondContact O-N 3.36Å; L149-L845 HydrophobicContact CD1-CD1 3.75Å
150	G	87.5	Confident	83	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-58.5	-43.1	175.3	0	0	0	0	0	113.2	S125 F129 N146 M147 Y148 A154	S125-G150 PolarHBondContact OG-O 2.86Å; S125-G150 VanDerWaalsContact OG-O 3.05Å; F129-G150 VanDerWaalsContact CZ-C 3.48Å; N146-G150 PolarHBondContact O-N 3.43Å; M147-G150 PolarHBondContact O-N 2.82Å; Y148-G150 PolarHBondContact O-N 3.12Å; G150-A154 WeakPolarHBondContact O-CB 3.46Å; G150-A154 PolarHBondContact O-N 2.81Å; G150-A154 VanDerWaalsContact O-N 3.11Å
151	I	92.2	Very high	83.7	Confident	76 Å²	76	47.5 Å²	47.5	39%	0.39	25%	0.25	S	S	.	.	H	α-helix	trans	-64.5	-46.5	175.7	-68.1	166	0	0	0	111.2	F129 M147 Y148 L149 A154 V155	F129-I151 HydrophobicContact CE1-CG1 3.97Å; F129-I151 HydrophobicContact CZ-CG1 3.86Å; M147-I151 HydrophobicContact CG-CD1 4.02Å; M147-I151 VanDerWaalsContact O-CG1 3.28Å; M147-I151 WeakPolarHBondContact O-CG1 3.35Å; M147-I151 PolarHBondContact O-N 2.82Å; Y148-I151 PolarHBondContact O-N 3.26Å; L149-I151 VanDerWaalsContact C-N 3.35Å; L149-I151 PolarHBondContact O-N 3.16Å; I151-A154 PolarHBondContact O-N 2.92Å; I151-V155 HydrophobicContact CG2-CG2 4.38Å; I151-V155 WeakPolarHBondContact O-CG2 3.4Å; I151-V155 PolarHBondContact O-N 3.11Å
152	V	88.3	Confident	84.6	Confident	60 Å²	60	45.5 Å²	45.5	36%	0.364	24%	0.238	S	C	.	.	H	α-helix	trans	-64.2	-46.3	-178.2	173.8	0	0	0	0	110.8	Y148 L149 A154 V155 V156 L845	Y148-V152 VanDerWaalsContact O-CG2 3.32Å; Y148-V152 WeakPolarHBondContact O-CG2 3.3Å; Y148-V152 PolarHBondContact O-N 3.45Å; L149-V152 PolarHBondContact O-N 2.69Å; V152-A154 VanDerWaalsContact C-N 3.33Å; V152-A154 PolarHBondContact O-N 2.94Å; V152-V155 PolarHBondContact O-N 3.13Å; V152-V155 VanDerWaalsContact O-N 3.13Å; V152-V156 HydrophobicContact CG1-CG2 4.25Å; V152-V156 VanDerWaalsContact O-CG2 3.28Å; V152-V156 WeakPolarHBondContact O-CG2 2.99Å; V152-V156 PolarHBondContact O-N 3.36Å; V152-L845 HydrophobicContact CG1-CD1 3.86Å
153	L	87.5	Confident	85.1	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-58.6	-42.9	175.9	-67.2	176.3	0	0	0	111.8	L121 L149 V156 V157 V347	L121-L153 HydrophobicContact CD2-CD2 4.14Å; L149-L153 HydrophobicContact CD1-CD1 4.26Å; L149-L153 HydrophobicContact CD1-CG 4.17Å; L149-L153 HydrophobicContact CG-CD1 4.09Å; L149-L153 HydrophobicContact CG-CG 4.41Å; L149-L153 WeakPolarHBondContact O-CB 3.27Å; L149-L153 VanDerWaalsContact O-CG 3.29Å; L149-L153 WeakPolarHBondContact O-CG 3.43Å; L149-L153 PolarHBondContact O-N 3.36Å; L153-V156 PolarHBondContact O-N 3.16Å; L153-V157 WeakPolarHBondContact O-CG2 3.44Å; L153-V157 PolarHBondContact O-N 3.18Å; L153-V157 VanDerWaalsContact O-N 3.07Å; L153-V347 HydrophobicContact CD1-CG2 4.02Å; L153-V347 HydrophobicContact CD2-CG1 4.37Å
154	A	91.1	Very high	85.4	Confident	15 Å²	15	49.4 Å²	49.4	12%	0.124	25%	0.251	C	S	.	.	H	α-helix	trans	-62.8	-41.7	174.7	0	0	0	0	0	112.6	W122 G150 I151 V152 V157 I158	W122-A154 HydrophobicContact CH2-CB 4.25Å; W122-A154 HydrophobicContact CZ3-CB 3.85Å; G150-A154 WeakPolarHBondContact O-CB 3.46Å; G150-A154 PolarHBondContact O-N 2.81Å; G150-A154 VanDerWaalsContact O-N 3.11Å; I151-A154 PolarHBondContact O-N 2.92Å; V152-A154 VanDerWaalsContact C-N 3.33Å; V152-A154 PolarHBondContact O-N 2.94Å; A154-V157 PolarHBondContact O-N 3.24Å; A154-I158 WeakPolarHBondContact O-CD1 3.38Å; A154-I158 VanDerWaalsContact O-CG1 3.25Å; A154-I158 WeakPolarHBondContact O-CG1 3.19Å; A154-I158 PolarHBondContact O-N 2.68Å
155	V	91.5	Very high	85.5	Confident	76 Å²	76	47.5 Å²	47.5	46%	0.461	24%	0.24	S	C	.	.	H	α-helix	trans	-64.4	-42.2	176.3	169.6	0	0	0	0	111.3	I151 V152 V157 I158 V159	I151-V155 HydrophobicContact CG2-CG2 4.38Å; I151-V155 WeakPolarHBondContact O-CG2 3.4Å; I151-V155 PolarHBondContact O-N 3.11Å; V152-V155 PolarHBondContact O-N 3.13Å; V152-V155 VanDerWaalsContact O-N 3.13Å; V155-V157 PolarHBondContact O-N 2.91Å; V155-I158 PolarHBondContact O-N 2.71Å; V155-V159 HydrophobicContact CG1-CG2 4.15Å; V155-V159 WeakPolarHBondContact O-CB 3.43Å; V155-V159 VanDerWaalsContact O-CG2 3.3Å; V155-V159 WeakPolarHBondContact O-CG2 3.37Å; V155-V159 PolarHBondContact O-N 2.89Å
156	V	87.5	Confident	85.5	Confident	16 Å²	16	48 Å²	48	10%	0.097	25%	0.248	C	C	.	.	H	α-helix	trans	-59.1	-45.8	176.4	168.9	0	0	0	0	111	L121 V152 L153 V159 T160 E352 L849	L121-V156 HydrophobicContact CD1-CG1 4.42Å; V152-V156 HydrophobicContact CG1-CG2 4.25Å; V152-V156 VanDerWaalsContact O-CG2 3.28Å; V152-V156 WeakPolarHBondContact O-CG2 2.99Å; V152-V156 PolarHBondContact O-N 3.36Å; L153-V156 PolarHBondContact O-N 3.16Å; V156-V159 PolarHBondContact O-N 3.34Å; V156-T160 WeakPolarHBondContact O-CB 3.45Å; V156-T160 WeakPolarHBondContact O-CG2 2.9Å; V156-T160 PolarHBondContact O-N 3.44Å; V156-T160 PolarHBondContact O-OG1 3.49Å; V156-E352 HydrophobicContact CG1-CB 3.99Å; V156-E352 HydrophobicContact CG1-CG 4.34Å; V156-L849 HydrophobicContact CG1-CD1 4.45Å; V156-L849 HydrophobicContact CG2-CD1 3.48Å; V156-L849 VanDerWaalsContact CG2-CD1 3.48Å
157	V	88.8	Confident	85	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.9	-40.3	176.6	177	0	0	0	0	112.1	L113 A118 L121 W122 L153 A154 V155 T160 G161	L113-V157 HydrophobicContact CD2-CG1 4.37Å; A118-V157 HydrophobicContact CB-CG1 3.76Å; L121-V157 HydrophobicContact CB-CG2 3.35Å; L121-V157 HydrophobicContact CD1-CG2 3.89Å; L121-V157 HydrophobicContact CG-CG2 4.28Å; W122-V157 HydrophobicContact CD2-CG1 4.4Å; W122-V157 HydrophobicContact CZ2-CB 4.41Å; W122-V157 HydrophobicContact CZ2-CG1 3.97Å; W122-V157 VanDerWaalsContact NE1-CG1 3.3Å; L153-V157 WeakPolarHBondContact O-CG2 3.44Å; L153-V157 PolarHBondContact O-N 3.18Å; L153-V157 VanDerWaalsContact O-N 3.07Å; A154-V157 PolarHBondContact O-N 3.24Å; V155-V157 PolarHBondContact O-N 2.91Å; V157-T160 WeakPolarHBondContact CA-OG1 3.02Å; V157-T160 PolarHBondContact O-OG1 2.97Å; V157-T160 VanDerWaalsContact O-OG1 3.11Å; V157-G161 PolarHBondContact O-N 2.89Å
158	I	91	Very high	84.1	Confident	70 Å²	70	49.4 Å²	49.4	36%	0.359	25%	0.252	S	S	.	.	H	α-helix	trans	-64.9	-46	177.1	-70	164.2	0	0	0	111	L113 W122 A154 V155 G161 I162	L113-I158 HydrophobicContact CD2-CG1 4.45Å; W122-I158 HydrophobicContact CH2-CD1 4.42Å; W122-I158 HydrophobicContact CH2-CG1 4.37Å; W122-I158 HydrophobicContact CZ2-CG1 4.42Å; A154-I158 WeakPolarHBondContact O-CD1 3.38Å; A154-I158 VanDerWaalsContact O-CG1 3.25Å; A154-I158 WeakPolarHBondContact O-CG1 3.19Å; A154-I158 PolarHBondContact O-N 2.68Å; V155-I158 PolarHBondContact O-N 2.71Å; I158-G161 PolarHBondContact O-N 3.46Å; I158-I162 HydrophobicContact CG2-CD1 3.78Å; I158-I162 HydrophobicContact CG2-CG1 4.5Å; I158-I162 WeakPolarHBondContact O-CD1 3.32Å; I158-I162 VanDerWaalsContact O-CG1 3.22Å; I158-I162 WeakPolarHBondContact O-CG1 3.17Å; I158-I162 PolarHBondContact O-N 3.05Å
159	V	87.8	Confident	83.2	Confident	65 Å²	65	44.2 Å²	44.2	39%	0.394	24%	0.24	S	C	.	.	H	α-helix	trans	-65.1	-47.5	-179.3	170.7	0	0	0	0	111.1	V155 V156 G161 I162 F163	V155-V159 HydrophobicContact CG1-CG2 4.15Å; V155-V159 WeakPolarHBondContact O-CB 3.43Å; V155-V159 VanDerWaalsContact O-CG2 3.3Å; V155-V159 WeakPolarHBondContact O-CG2 3.37Å; V155-V159 PolarHBondContact O-N 2.89Å; V156-V159 PolarHBondContact O-N 3.34Å; V159-G161 PolarHBondContact O-N 2.79Å; V159-I162 PolarHBondContact O-N 2.77Å; V159-F163 HydrophobicContact CG1-CD2 3.86Å; V159-F163 HydrophobicContact CG1-CE2 3.7Å; V159-F163 VanDerWaalsContact O-CD2 3.27Å; V159-F163 WeakPolarHBondContact O-CD2 3.4Å; V159-F163 PolarHBondContact O-N 3.03Å
160	T	81.2	Confident	82.1	Confident	21 Å²	21	51.9 Å²	51.9	13%	0.129	27%	0.272	C	S	.	.	H	α-helix	trans	-62	-42.7	176.8	50.6	0	0	0	0	111.9	V156 V157 I162 F163 Q164	V156-T160 WeakPolarHBondContact O-CB 3.45Å; V156-T160 WeakPolarHBondContact O-CG2 2.9Å; V156-T160 PolarHBondContact O-N 3.44Å; V156-T160 PolarHBondContact O-OG1 3.49Å; V157-T160 WeakPolarHBondContact CA-OG1 3.02Å; V157-T160 PolarHBondContact O-OG1 2.97Å; V157-T160 VanDerWaalsContact O-OG1 3.11Å; T160-I162 PolarHBondContact O-N 2.9Å; T160-F163 PolarHBondContact O-N 3.34Å; T160-Q164 WeakPolarHBondContact O-CG 3.47Å; T160-Q164 PolarHBondContact O-N 3.12Å
161	G	84.3	Confident	80.6	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-62.9	-35.7	174.2	0	0	0	0	0	114	V157 I158 V159 Y165	V157-G161 PolarHBondContact O-N 2.89Å; I158-G161 PolarHBondContact O-N 3.46Å; V159-G161 PolarHBondContact O-N 2.79Å; G161-Y165 VanDerWaalsContact O-CB 3.29Å; G161-Y165 WeakPolarHBondContact O-CB 3.41Å; G161-Y165 PolarHBondContact O-N 2.83Å
162	I	87.2	Confident	79	Confident	76 Å²	76	52.2 Å²	52.2	39%	0.39	28%	0.281	S	S	.	.	H	α-helix	trans	-65	-45.3	172.5	-72	164.2	0	0	0	111	F109 I158 V159 T160 Q164 Y165 C166	F109-I162 HydrophobicContact CE2-CG1 3.79Å; F109-I162 HydrophobicContact CZ-CG1 4.14Å; I158-I162 HydrophobicContact CG2-CD1 3.78Å; I158-I162 HydrophobicContact CG2-CG1 4.5Å; I158-I162 WeakPolarHBondContact O-CD1 3.32Å; I158-I162 VanDerWaalsContact O-CG1 3.22Å; I158-I162 WeakPolarHBondContact O-CG1 3.17Å; I158-I162 PolarHBondContact O-N 3.05Å; V159-I162 PolarHBondContact O-N 2.77Å; T160-I162 PolarHBondContact O-N 2.9Å; I162-Q164 PolarHBondContact O-N 2.66Å; I162-Y165 PolarHBondContact O-N 3.44Å; I162-C166 WeakPolarHBondContact O-CB 3.33Å; I162-C166 PolarHBondContact O-N 3.15Å; I162-C166 PolarHBondContact O-SG 2.88Å; I162-C166 VanDerWaalsContact O-SG 3.32Å
163	F	78.9	Confident	77.7	Confident	125 Å²	125	57.3 Å²	57.3	55%	0.548	29%	0.294	S	S	.	.	H	α-helix	trans	-60	-46.7	177.3	-84.9	-71.1	0	0	0	111.8	V159 T160 C166 Q167	V159-F163 HydrophobicContact CG1-CD2 3.86Å; V159-F163 HydrophobicContact CG1-CE2 3.7Å; V159-F163 VanDerWaalsContact O-CD2 3.27Å; V159-F163 WeakPolarHBondContact O-CD2 3.4Å; V159-F163 PolarHBondContact O-N 3.03Å; T160-F163 PolarHBondContact O-N 3.34Å; F163-C166 PolarHBondContact O-N 3.42Å; F163-Q167 PolarHBondContact O-N 2.76Å
164	Q	77.1	Confident	76.2	Confident	46 Å²	46	58.8 Å²	58.8	22%	0.215	30%	0.302	C	S	.	.	H	α-helix	trans	-62.6	-44.1	176.8	-70.7	176.2	-13.2	0	0	112.5	N112 T160 I162 Q167 E168	N112-Q164 HydrophobicContact CB-CB 4.2Å; T160-Q164 WeakPolarHBondContact O-CG 3.47Å; T160-Q164 PolarHBondContact O-N 3.12Å; I162-Q164 PolarHBondContact O-N 2.66Å; Q164-Q167 WeakPolarHBondContact O-CB 3.31Å; Q164-Q167 PolarHBondContact O-N 3.45Å; Q164-E168 PolarHBondContact O-N 2.78Å
165	Y	81.6	Confident	74.5	Confident	55 Å²	55	58.9 Å²	58.9	22%	0.216	30%	0.3	C	S	.	.	H	α-helix	trans	-64.5	-42.3	177.1	170.5	-103.2	0	0	0	112.9	E105 K108 F109 G161 I162 Q167 E168 A169	E105-Y165 HydrophobicContact CB-CE2 4.35Å; E105-Y165 PolarHBondContact OE2-OH 3.48Å; K108-Y165 HydrophobicContact CB-CD2 4.3Å; K108-Y165 HydrophobicContact CB-CE2 4.33Å; F109-Y165 HydrophobicContact CB-CD2 3.96Å; F109-Y165 HydrophobicContact CB-CE2 4.34Å; F109-Y165 HydrophobicContact CB-CG 4.22Å; F109-Y165 HydrophobicContact CD2-CD1 4.06Å; F109-Y165 HydrophobicContact CD2-CD2 4.4Å; F109-Y165 AromaticContact CD2-CG 3.79Å; F109-Y165 HydrophobicContact CD2-CG 3.79Å; F109-Y165 HydrophobicContact CG-CG 4.48Å; G161-Y165 VanDerWaalsContact O-CB 3.29Å; G161-Y165 WeakPolarHBondContact O-CB 3.41Å; G161-Y165 PolarHBondContact O-N 2.83Å; I162-Y165 PolarHBondContact O-N 3.44Å; Y165-Q167 PolarHBondContact O-N 2.89Å; Y165-E168 PolarHBondContact O-N 3.24Å; Y165-A169 HydrophobicContact CE1-CB 4.46Å; Y165-A169 HydrophobicContact CE2-CB 4.28Å; Y165-A169 VanDerWaalsContact O-CB 3.3Å; Y165-A169 WeakPolarHBondContact O-CB 3.5Å; Y165-A169 PolarHBondContact O-N 2.88Å
166	C	76.2	Confident	73.3	Confident	66 Å²	66	58.7 Å²	58.7	45%	0.446	29%	0.294	S	S	.	.	H	α-helix	trans	-62.6	-24	175.9	-76.3	0	0	0	0	113.3	I162 F163	I162-C166 WeakPolarHBondContact O-CB 3.33Å; I162-C166 PolarHBondContact O-N 3.15Å; I162-C166 PolarHBondContact O-SG 2.88Å; I162-C166 VanDerWaalsContact O-SG 3.32Å; F163-C166 PolarHBondContact O-N 3.42Å
167	Q	69.5	Low	72.3	Confident	32 Å²	32	58.4 Å²	58.4	15%	0.15	29%	0.293	C	S	.	.	H	α-helix	trans	-76.6	-52	171.5	170	-178	-23.3	0	0	111.3	F163 Q164 Y165 A169 L379	F163-Q167 PolarHBondContact O-N 2.76Å; Q164-Q167 WeakPolarHBondContact O-CB 3.31Å; Q164-Q167 PolarHBondContact O-N 3.45Å; Y165-Q167 PolarHBondContact O-N 2.89Å; Q167-A169 PolarHBondContact O-N 2.85Å; Q167-L379 HydrophobicContact CG-CB 4.47Å; Q167-L379 HydrophobicContact CG-CD1 3.89Å; Q167-L379 HydrophobicContact CG-CG 4.15Å
168	E	68.2	Low	71	Confident	73 Å²	73	58.5 Å²	58.5	34%	0.341	29%	0.293	S	S	.	.	H	α-helix	trans	-61.9	-40.1	179.2	-73.7	-168	139.8	0	0	113.4	N112 Q164 Y165 K170 S171	N112-E168 PolarHBondContact ND2-OE2 2.91Å; N112-E168 PolarHBondContact OD1-OE2 2.93Å; Q164-E168 PolarHBondContact O-N 2.78Å; Y165-E168 PolarHBondContact O-N 3.24Å; E168-K170 PolarHBondContact O-N 2.69Å; E168-K170 VanDerWaalsContact O-N 3.11Å; E168-S171 PolarHBondContact O-N 3.05Å
169	A	66.1	Low	69.8	Low	37 Å²	37	60.2 Å²	60.2	31%	0.306	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-60.3	-26.9	-172.6	0	0	0	0	0	113.7	Y165 Q167 S171	Y165-A169 HydrophobicContact CE1-CB 4.46Å; Y165-A169 HydrophobicContact CE2-CB 4.28Å; Y165-A169 VanDerWaalsContact O-CB 3.3Å; Y165-A169 WeakPolarHBondContact O-CB 3.5Å; Y165-A169 PolarHBondContact O-N 2.88Å; Q167-A169 PolarHBondContact O-N 2.85Å; A169-S171 VanDerWaalsContact C-N 3.25Å; A169-S171 PolarHBondContact O-N 2.66Å
170	K	60.7	Low	68.9	Low	180 Å²	180	62.9 Å²	62.9	78%	0.783	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-68	-18.2	-178.5	-70	177.9	-178.3	175.5	0	114.2	E168	E168-K170 PolarHBondContact O-N 2.69Å; E168-K170 VanDerWaalsContact O-N 3.11Å
171	S	55.7	Low	68.2	Low	31 Å²	31	63.7 Å²	63.7	22%	0.217	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-95.4	-3.9	-168.4	-158.3	0	0	0	0	115.7	E168 A169 R173	E168-S171 PolarHBondContact O-N 3.05Å; A169-S171 VanDerWaalsContact C-N 3.25Å; A169-S171 PolarHBondContact O-N 2.66Å; S171-R173 PolarHBondContact O-N 3.23Å
172	S	58	Low	67.5	Low	51 Å²	51	64.8 Å²	64.8	36%	0.357	32%	0.32	S	S	.	.			trans	-97.9	39.8	-155.7	-63.4	0	0	0	0	118.5	K108	K108-S172 PolarHBondContact NZ-OG 3.14Å
173	R	62.4	Low	66.6	Low	167 Å²	167	62.1 Å²	62.1	63%	0.63	31%	0.307	S	S	*	.			trans	-119.8	30.8	-173.7	-68.4	-169.6	-176.3	-160.5	7.1	117.8	S171 M175 E176	S171-R173 PolarHBondContact O-N 3.23Å; R173-M175 PolarHBondContact O-N 2.86Å; R173-E176 WeakPolarHBondContact CD-OE2 3.04Å; R173-E176 IonicContact NE-OE2 2.81Å; R173-E176 IonicContact NH1-OE2 3.2Å; R173-E176 PolarHBondContact O-N 3.11Å
174	I	55.4	Low	66.6	Low	32 Å²	32	63.4 Å²	63.4	16%	0.164	32%	0.315	C	S	.	.	H	α-helix	trans	-66	-37	-170.5	-51	-174.1	0	0	0	115.1	E176 S177 F178 K763 Q781	I174-E176 VanDerWaalsContact C-N 3.33Å; I174-E176 PolarHBondContact O-N 2.98Å; I174-S177 PolarHBondContact O-OG 2.91Å; I174-F178 HydrophobicContact CG2-CE2 4.2Å; I174-F178 WeakPolarHBondContact O-CD2 3.45Å; I174-K763 HydrophobicContact CD1-CD 4.31Å; I174-Q781 HydrophobicContact CB-CB 4.45Å; I174-Q781 WeakPolarHBondContact CG1-O 3Å; I174-Q781 HydrophobicContact CG2-CB 4.22Å
175	M	56.2	Low	67.1	Low	16 Å²	16	67.5 Å²	67.5	8%	0.079	33%	0.329	C	S	.	.	H	α-helix	trans	-79.2	-13.9	-175.3	-176	52.7	71.3	0	0	114	P99 P100 R173 F178	P99-M175 HydrophobicContact CB-CG 3.78Å; P100-M175 VanDerWaalsContact CD-CE 3.44Å; P100-M175 HydrophobicContact CG-CE 4.46Å; R173-M175 PolarHBondContact O-N 2.86Å; M175-F178 HydrophobicContact SD-CB 3.9Å; M175-F178 HydrophobicContact SD-CD2 4.49Å
176	E	65.9	Low	67.4	Low	73 Å²	73	65.3 Å²	65.3	34%	0.341	32%	0.322	S	S	.	.	H	α-helix	trans	-67.8	-42.8	-179.5	-78.9	149	-137	0	0	110.5	K102 R173 I174 F178 K179 D180	K102-E176 IonicContact NZ-OE1 2.79Å; K102-E176 PolarHBondContact NZ-OE1 3.09Å; R173-E176 WeakPolarHBondContact CD-OE2 3.04Å; R173-E176 IonicContact NE-OE2 2.81Å; R173-E176 IonicContact NH1-OE2 3.2Å; R173-E176 PolarHBondContact O-N 3.11Å; I174-E176 VanDerWaalsContact C-N 3.33Å; I174-E176 PolarHBondContact O-N 2.98Å; E176-F178 VanDerWaalsContact C-N 3.35Å; E176-F178 PolarHBondContact O-N 3.14Å; E176-K179 PolarHBondContact O-N 3.32Å; E176-K179 VanDerWaalsContact O-N 3.14Å; E176-D180 PolarHBondContact O-N 2.94Å
177	S	65.3	Low	68.2	Low	10 Å²	10	64.2 Å²	64.2	7%	0.07	31%	0.311	C	S	.	.	H	α-helix	trans	-66.8	-26.6	178.3	59	0	0	0	0	115.2	I174 K179 Q781	I174-S177 PolarHBondContact O-OG 2.91Å; S177-K179 VanDerWaalsContact C-N 3.35Å; S177-Q781 WeakPolarHBondContact OG-CG 3.42Å
178	F	61.9	Low	69.4	Low	2 Å²	2	62.7 Å²	62.7	1%	0.009	30%	0.304	C	S	.	.	H	α-helix	trans	-73	-28.9	175	-78.3	-84.7	0	0	0	112.2	L97 I174 M175 E176 L181 M285 A289 A292 V778	L97-F178 HydrophobicContact CD1-CB 4.13Å; I174-F178 HydrophobicContact CG2-CE2 4.2Å; I174-F178 WeakPolarHBondContact O-CD2 3.45Å; M175-F178 HydrophobicContact SD-CB 3.9Å; M175-F178 HydrophobicContact SD-CD2 4.49Å; E176-F178 VanDerWaalsContact C-N 3.35Å; E176-F178 PolarHBondContact O-N 3.14Å; F178-L181 PolarHBondContact O-N 2.82Å; F178-M285 HydrophobicContact CD1-CE 3.99Å; F178-M285 HydrophobicContact CE1-CE 3.51Å; F178-A289 HydrophobicContact CD1-CB 3.54Å; F178-A289 HydrophobicContact CE1-CB 3.45Å; F178-A289 VanDerWaalsContact CE1-CB 3.45Å; F178-A289 HydrophobicContact CG-CB 4.18Å; F178-A289 HydrophobicContact CZ-CB 4.02Å; F178-A292 HydrophobicContact CZ-CB 4.46Å; F178-V778 HydrophobicContact CD1-CG1 4.39Å; F178-V778 HydrophobicContact CD1-CG2 3.7Å; F178-V778 HydrophobicContact CD2-CG2 4.05Å; F178-V778 HydrophobicContact CE1-CB 4.34Å; F178-V778 HydrophobicContact CE1-CG1 3.58Å; F178-V778 HydrophobicContact CE1-CG2 3.76Å; F178-V778 HydrophobicContact CE2-CB 4.48Å; F178-V778 HydrophobicContact CE2-CG1 3.78Å; F178-V778 HydrophobicContact CE2-CG2 4.1Å; F178-V778 HydrophobicContact CG-CG2 3.88Å; F178-V778 HydrophobicContact CZ-CB 4.23Å; F178-V778 HydrophobicContact CZ-CG1 3.24Å; F178-V778 HydrophobicContact CZ-CG2 3.98Å
179	K	66.6	Low	70.6	Confident	105 Å²	105	59.5 Å²	59.5	46%	0.457	29%	0.29	S	S	.	.	H	α-helix	trans	-71.8	-34.3	177.3	-70.6	-171	168.2	-150.6	0	112.1	E176 S177 L181 V182	E176-K179 PolarHBondContact O-N 3.32Å; E176-K179 VanDerWaalsContact O-N 3.14Å; S177-K179 VanDerWaalsContact C-N 3.35Å; K179-L181 PolarHBondContact O-N 2.98Å; K179-V182 PolarHBondContact O-N 3.22Å
180	D	69.5	Low	71.8	Confident	122 Å²	122	58.8 Å²	58.8	65%	0.652	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-8.2	177.3	-57.3	-27.9	0	0	0	113.2	E176 R215	E176-D180 PolarHBondContact O-N 2.94Å; D180-R215 PolarHBondContact O-NH1 3.17Å
181	L	66.3	Low	73.1	Confident	38 Å²	38	53.5 Å²	53.5	20%	0.199	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-26.7	172.9	-65.9	179.6	0	0	0	113.5	F178 K179 R215 V778	F178-L181 PolarHBondContact O-N 2.82Å; K179-L181 PolarHBondContact O-N 2.98Å; L181-R215 WeakPolarHBondContact O-CD 3.33Å; L181-R215 PolarHBondContact O-NH1 3.29Å; L181-V778 HydrophobicContact CD1-CG2 3.76Å
182	V	68.3	Low	74.6	Confident	24 Å²	24	53.8 Å²	53.8	15%	0.145	27%	0.267	C	S	.	.	S	Bend	trans	-72.7	127.5	-174.8	-166.8	0	0	0	0	110.2	K179 T199 F263	K179-V182 PolarHBondContact O-N 3.22Å; V182-T199 HydrophobicContact CG1-CG2 3.94Å; V182-F263 HydrophobicContact CB-CZ 4.29Å; V182-F263 HydrophobicContact CG1-CE2 4.08Å; V182-F263 HydrophobicContact CG1-CZ 3.97Å; V182-F263 HydrophobicContact CG2-CZ 3.76Å
183	P	68.9	Low	76.1	Confident	20 Å²	20	57.1 Å²	57.1	13%	0.13	28%	0.277	C	S	.	.			trans	-62.4	144.4	173.1	22.4	-27.8	0	0	0	110.2	T199 R215 P217	P183-T199 HydrophobicContact CG-CG2 4.04Å; P183-T199 WeakPolarHBondContact O-CB 3.36Å; P183-T199 PolarHBondContact O-OG1 3.21Å; P183-R215 HydrophobicContact CB-CB 4.08Å; P183-R215 HydrophobicContact CG-CB 4.01Å; P183-P217 HydrophobicContact CG-CB 4.26Å
184	H	77.8	Confident	77.4	Confident	152 Å²	152	52.6 Å²	52.6	70%	0.704	27%	0.268	S	S	*	.	S	Bend	trans	-75.7	-27.6	179.3	-63.4	-47.1	0	0	0	113.6	R198 T199	H184-R198 WeakPolarHBondContact O-CA 3.31Å; H184-T199 PolarHBondContact O-N 3.49Å
185	Y	88.4	Confident	79	Confident	131 Å²	131	53.7 Å²	53.7	51%	0.514	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	153.2	-175.5	-65.7	-82.1	0	0	0	111.2	I197 R198 T199	Y185-I197 CarbonylContact C-O 3.51Å; Y185-I197 VanDerWaalsContact CA-O 3.23Å; Y185-I197 WeakPolarHBondContact CA-O 3.48Å; Y185-R198 HydrophobicContact CD1-CG 4.28Å; Y185-R198 HydrophobicContact CE1-CG 3.87Å; Y185-T199 PolarHBondContact N-OG1 2.65Å
186	S	88.9	Confident	80.7	Confident	9 Å²	9	57.9 Å²	57.9	6%	0.063	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	140	-175.8	-65.1	0	0	0	0	111.4	V188 N196 I197 T199 P217	S186-V188 PolarHBondContact O-N 3.41Å; S186-N196 WeakPolarHBondContact O-CA 3.38Å; S186-N196 PolarHBondContact O-OD1 3.46Å; S186-I197 PolarHBondContact N-O 2.73Å; S186-I197 PolarHBondContact O-N 2.9Å; S186-T199 PolarHBondContact OG-OG1 3.14Å; S186-P217 WeakPolarHBondContact OG-CB 3.33Å
187	L	92.7	Very high	82	Confident	44 Å²	44	55.4 Å²	55.4	23%	0.23	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	109	173.4	-63.8	174	0	0	0	109.8	T194 N196 V208 E209	L187-T194 HydrophobicContact CB-CG2 4.32Å; L187-T194 HydrophobicContact CD2-CG2 4.45Å; L187-N196 HydrophobicContact CD2-CB 3.88Å; L187-V208 WeakPolarHBondContact O-CA 3.3Å; L187-E209 HydrophobicContact CB-CB 4.41Å; L187-E209 PolarHBondContact O-N 3.32Å
188	V	93.6	Very high	83.2	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	154.5	174.1	-61.5	0	0	0	0	110.4	S186 R190 T194 K195 I197 V202 D206 V207 V208	S186-V188 PolarHBondContact O-N 3.41Å; V188-R190 HydrophobicContact CG2-CG 4.15Å; V188-T194 CarbonylContact O-C 3.56Å; V188-T194 VanDerWaalsContact O-CA 3.28Å; V188-T194 WeakPolarHBondContact O-CA 3.49Å; V188-K195 PolarHBondContact N-O 3.24Å; V188-K195 PolarHBondContact O-N 3.44Å; V188-I197 HydrophobicContact CB-CD1 4.46Å; V188-I197 HydrophobicContact CG1-CD1 3.88Å; V188-I197 HydrophobicContact CG1-CG1 4.05Å; V188-I197 HydrophobicContact CG2-CD1 3.75Å; V188-I197 HydrophobicContact CG2-CG1 3.83Å; V188-I197 HydrophobicContact CG2-CG2 3.98Å; V188-V202 HydrophobicContact CG1-CG2 4.06Å; V188-D206 HydrophobicContact CG1-CB 4.43Å; V188-V207 CarbonylContact C-O 3.44Å; V188-V207 WeakPolarHBondContact CA-O 3.33Å; V188-V208 HydrophobicContact CG1-CG1 3.86Å
189	V	93.1	Very high	84.5	Confident	6 Å²	6	61 Å²	61	4%	0.036	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	117.5	166.3	-176.1	0	0	0	0	107.9	E77 Q193 V207	E77-V189 WeakPolarHBondContact O-CG1 3.35Å; V189-Q193 WeakPolarHBondContact CA-O 3.44Å; V189-V207 HydrophobicContact CB-CB 4.26Å; V189-V207 HydrophobicContact CB-CG1 4.33Å; V189-V207 HydrophobicContact CG2-CG1 4.38Å; V189-V207 PolarHBondContact N-O 2.81Å
190	R	92.1	Very high	85.7	Confident	21 Å²	21	61.2 Å²	61.2	8%	0.079	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	138.1	173	-68.3	-175.9	-176.5	162.2	1.1	109.5	M78 L80 A85 V188 G192 Q193 E201 D206	M78-R190 CarbonylContact O-C 3.59Å; L80-R190 WeakPolarHBondContact O-CA 3.23Å; L80-R190 WeakPolarHBondContact O-CB 3.3Å; A85-R190 VanDerWaalsContact CB-CZ 3.49Å; V188-R190 HydrophobicContact CG2-CG 4.15Å; R190-G192 PolarHBondContact O-N 2.71Å; R190-Q193 PolarHBondContact N-O 2.89Å; R190-Q193 VanDerWaalsContact N-O 3.08Å; R190-Q193 PolarHBondContact O-N 3.17Å; R190-E201 PolarHBondContact NH2-O 3.02Å; R190-D206 IonicContact CZ-OD1 3.12Å; R190-D206 IonicContact CZ-OD2 2.7Å; R190-D206 IonicContact NE-OD1 3.35Å; R190-D206 PolarHBondContact NE-OD1 2.85Å; R190-D206 IonicContact NE-OD2 2.68Å; R190-D206 IonicContact NH2-OD1 3.51Å; R190-D206 PolarHBondContact NH2-OD1 2.91Å; R190-D206 IonicContact NH2-OD2 3.57Å; R190-D206 PolarHBondContact NH2-OD2 3.1Å
191	D	88.8	Confident	86.8	Confident	69 Å²	69	59.1 Å²	59.1	37%	0.369	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	37.1	-173.8	-61	-62.7	0	0	0	113.5	M78 L80 S81 E82 Q193	M78-D191 PolarHBondContact O-N 2.59Å; M78-D191 VanDerWaalsContact O-N 3.15Å; L80-D191 PolarHBondContact O-N 3.36Å; L80-D191 VanDerWaalsContact O-N 3.09Å; S81-D191 WeakPolarHBondContact CA-OD1 3.49Å; S81-D191 WeakPolarHBondContact CB-OD1 3.49Å; E82-D191 PolarHBondContact N-OD2 2.87Å; D191-Q193 PolarHBondContact O-N 2.79Å
192	G	86.6	Confident	88	Confident	37 Å²	37	57.4 Å²	57.4	38%	0.381	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	6.9	-178.5	0	0	0	0	0	115.4	M78 R190	M78-G192 PolarHBondContact O-N 3.19Å; R190-G192 PolarHBondContact O-N 2.71Å
193	Q	89.2	Confident	89.3	Confident	121 Å²	121	56.4 Å²	56.4	57%	0.565	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.5	130.4	-179	-62.4	-178.7	13.9	0	0	110.9	V189 R190 D191 K195	V189-Q193 WeakPolarHBondContact CA-O 3.44Å; R190-Q193 PolarHBondContact N-O 2.89Å; R190-Q193 VanDerWaalsContact N-O 3.08Å; R190-Q193 PolarHBondContact O-N 3.17Å; D191-Q193 PolarHBondContact O-N 2.79Å; Q193-K195 HydrophobicContact CB-CG 4.34Å; Q193-K195 PolarHBondContact O-N 3.34Å
194	T	90.1	Very high	90.5	Very high	73 Å²	73	56.6 Å²	56.6	45%	0.448	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	110.8	170.2	-45.9	0	0	0	0	109.5	L187 V188	L187-T194 HydrophobicContact CB-CG2 4.32Å; L187-T194 HydrophobicContact CD2-CG2 4.45Å; V188-T194 CarbonylContact O-C 3.56Å; V188-T194 VanDerWaalsContact O-CA 3.28Å; V188-T194 WeakPolarHBondContact O-CA 3.49Å
195	K	89.6	Confident	91.2	Very high	54 Å²	54	49.3 Å²	49.3	24%	0.235	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	140.1	179.6	-60.4	-176.4	-166.5	-177.7	0	109.6	E82 V188 Q193 I197	E82-K195 IonicContact OE1-NZ 2.6Å; E82-K195 PolarHBondContact OE1-NZ 3.24Å; V188-K195 PolarHBondContact N-O 3.24Å; V188-K195 PolarHBondContact O-N 3.44Å; Q193-K195 HydrophobicContact CB-CG 4.34Å; Q193-K195 PolarHBondContact O-N 3.34Å; K195-I197 HydrophobicContact CB-CG2 4.18Å
196	N	91.7	Very high	91.4	Very high	104 Å²	104	43.1 Å²	43.1	56%	0.556	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.7	101.7	173.1	-167.8	21.9	0	0	0	108.7	S186 L187	S186-N196 WeakPolarHBondContact O-CA 3.38Å; S186-N196 PolarHBondContact O-OD1 3.46Å; L187-N196 HydrophobicContact CD2-CB 3.88Å
197	I	92	Very high	91.7	Very high	21 Å²	21	42.7 Å²	42.7	11%	0.108	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	170.2	-176.9	68.8	166.7	0	0	0	110.9	Y185 S186 V188 K195 E201 V202	Y185-I197 CarbonylContact C-O 3.51Å; Y185-I197 VanDerWaalsContact CA-O 3.23Å; Y185-I197 WeakPolarHBondContact CA-O 3.48Å; S186-I197 PolarHBondContact N-O 2.73Å; S186-I197 PolarHBondContact O-N 2.9Å; V188-I197 HydrophobicContact CB-CD1 4.46Å; V188-I197 HydrophobicContact CG1-CD1 3.88Å; V188-I197 HydrophobicContact CG1-CG1 4.05Å; V188-I197 HydrophobicContact CG2-CD1 3.75Å; V188-I197 HydrophobicContact CG2-CG1 3.83Å; V188-I197 HydrophobicContact CG2-CG2 3.98Å; K195-I197 HydrophobicContact CB-CG2 4.18Å; I197-E201 HydrophobicContact CD1-CB 4.04Å; I197-V202 HydrophobicContact CD1-CG2 3.92Å; I197-V202 HydrophobicContact CG1-CG2 4.24Å
198	R	91.2	Very high	91.8	Very high	130 Å²	130	40.7 Å²	40.7	49%	0.491	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	139.6	169.5	-70.2	179	172.8	-172.6	0.2	109.5	H184 Y185 E200 E201	H184-R198 WeakPolarHBondContact O-CA 3.31Å; Y185-R198 HydrophobicContact CD1-CG 4.28Å; Y185-R198 HydrophobicContact CE1-CG 3.87Å; R198-E200 PolarHBondContact O-N 2.99Å; R198-E200 VanDerWaalsContact O-N 3.15Å; R198-E201 HydrophobicContact CB-CG 4.25Å; R198-E201 WeakPolarHBondContact O-CB 3.33Å; R198-E201 PolarHBondContact O-N 3.37Å
199	T	89.3	Confident	91.8	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-59.3	-30.3	-179.8	-55.5	0	0	0	0	112.8	N95 V182 P183 H184 Y185 S186 E201 V202 P217	N95-T199 WeakPolarHBondContact CB-O 3.35Å; N95-T199 PolarHBondContact ND2-O 3.39Å; V182-T199 HydrophobicContact CG1-CG2 3.94Å; P183-T199 HydrophobicContact CG-CG2 4.04Å; P183-T199 WeakPolarHBondContact O-CB 3.36Å; P183-T199 PolarHBondContact O-OG1 3.21Å; H184-T199 PolarHBondContact O-N 3.49Å; Y185-T199 PolarHBondContact N-OG1 2.65Å; S186-T199 PolarHBondContact OG-OG1 3.14Å; T199-E201 PolarHBondContact O-N 2.79Å; T199-V202 WeakPolarHBondContact O-CB 3.44Å; T199-V202 WeakPolarHBondContact O-CG2 3.05Å; T199-V202 PolarHBondContact O-N 3.23Å; T199-P217 HydrophobicContact CG2-CB 3.92Å
200	E	90.6	Very high	91.7	Very high	109 Å²	109	41.8 Å²	41.8	51%	0.509	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-61.4	-23.6	174.9	-59.3	-178.5	158.4	0	0	113.4	P94 N95 R198	P94-E200 CarbonylContact C-O 3.5Å; P94-E200 VanDerWaalsContact CA-O 3.26Å; P94-E200 WeakPolarHBondContact CA-O 3.37Å; P94-E200 HydrophobicContact CB-CB 4.36Å; P94-E200 WeakPolarHBondContact CB-O 3.26Å; N95-E200 PolarHBondContact N-O 2.72Å; R198-E200 PolarHBondContact O-N 2.99Å; R198-E200 VanDerWaalsContact O-N 3.15Å
201	E	92.8	Very high	91.7	Very high	78 Å²	78	46.5 Å²	46.5	36%	0.364	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-94.6	-0.2	-178.7	-63.2	166.2	-165.5	0	0	112.9	R190 I197 R198 T199	R190-E201 PolarHBondContact NH2-O 3.02Å; I197-E201 HydrophobicContact CD1-CB 4.04Å; R198-E201 HydrophobicContact CB-CG 4.25Å; R198-E201 WeakPolarHBondContact O-CB 3.33Å; R198-E201 PolarHBondContact O-N 3.37Å; T199-E201 PolarHBondContact O-N 2.79Å
202	V	93.2	Very high	91.5	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.006	23%	0.231	C	C	.	.			trans	-74.5	135.4	174.5	177.6	0	0	0	0	109.4	N95 V188 I197 T199 D206 V208 V276	N95-V202 HydrophobicContact CB-CB 4.47Å; N95-V202 VanDerWaalsContact CB-O 3.23Å; N95-V202 WeakPolarHBondContact CB-O 3.32Å; V188-V202 HydrophobicContact CG1-CG2 4.06Å; I197-V202 HydrophobicContact CD1-CG2 3.92Å; I197-V202 HydrophobicContact CG1-CG2 4.24Å; T199-V202 WeakPolarHBondContact O-CB 3.44Å; T199-V202 WeakPolarHBondContact O-CG2 3.05Å; T199-V202 PolarHBondContact O-N 3.23Å; V202-D206 WeakPolarHBondContact CA-OD2 3.4Å; V202-D206 HydrophobicContact CG1-CB 4.39Å; V202-V208 HydrophobicContact CG1-CG1 4.44Å; V202-V276 HydrophobicContact CG1-CG1 4.47Å; V202-V276 HydrophobicContact CG1-CG2 3.75Å
203	V	94.9	Very high	91.4	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.024	25%	0.246	C	C	.	.			trans	-125.6	162.5	-175.7	-66.1	0	0	0	0	112.4	L80 A85 I88 L89 G205 D206 V276	L80-V203 HydrophobicContact CD1-CG2 3.99Å; A85-V203 HydrophobicContact CB-CG2 3.92Å; I88-V203 HydrophobicContact CB-CB 4.15Å; I88-V203 HydrophobicContact CB-CG1 4.31Å; I88-V203 HydrophobicContact CB-CG2 4.3Å; I88-V203 HydrophobicContact CG2-CB 3.72Å; I88-V203 HydrophobicContact CG2-CG1 4.11Å; I88-V203 HydrophobicContact CG2-CG2 4.28Å; L89-V203 HydrophobicContact CB-CG1 3.74Å; L89-V203 HydrophobicContact CD1-CG1 3.95Å; L89-V203 HydrophobicContact CG-CG1 4.44Å; V203-G205 PolarHBondContact O-N 2.64Å; V203-D206 WeakPolarHBondContact CG2-OD2 3.39Å; V203-D206 PolarHBondContact N-OD2 3.45Å; V203-D206 WeakPolarHBondContact O-CB 3.3Å; V203-D206 PolarHBondContact O-N 2.98Å; V203-D206 VanDerWaalsContact O-N 3.09Å; V203-V276 WeakPolarHBondContact O-CB 3.27Å; V203-V276 WeakPolarHBondContact O-CG1 3.34Å
204	V	93.8	Very high	91.2	Very high	23 Å²	23	43.9 Å²	43.9	14%	0.139	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	129.6	172.7	177.7	0	0	0	0	109.9	Y72 V277 T279	Y72-V204 HydrophobicContact CD1-CG1 3.59Å; Y72-V204 HydrophobicContact CE1-CG1 3.31Å; V204-V277 WeakPolarHBondContact CG1-O 3.46Å; V204-T279 HydrophobicContact CG2-CG2 4.01Å
205	G	92.3	Very high	91.1	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.1	-17.8	-172.5	0	0	0	0	0	115.1	T74 V203 V207 V276	T74-G205 WeakPolarHBondContact CG2-O 3.45Å; T74-G205 PolarHBondContact OG1-O 3.15Å; V203-G205 PolarHBondContact O-N 2.64Å; G205-V207 PolarHBondContact O-N 3.04Å; G205-V276 PolarHBondContact N-O 3.07Å
206	D	93.7	Very high	91.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-58.9	139.2	176.9	-84.9	-38.1	0	0	0	111.7	V188 R190 V202 V203 I275 V276	V188-D206 HydrophobicContact CG1-CB 4.43Å; R190-D206 IonicContact CZ-OD1 3.12Å; R190-D206 IonicContact CZ-OD2 2.7Å; R190-D206 IonicContact NE-OD1 3.35Å; R190-D206 PolarHBondContact NE-OD1 2.85Å; R190-D206 IonicContact NE-OD2 2.68Å; R190-D206 IonicContact NH2-OD1 3.51Å; R190-D206 PolarHBondContact NH2-OD1 2.91Å; R190-D206 IonicContact NH2-OD2 3.57Å; R190-D206 PolarHBondContact NH2-OD2 3.1Å; V202-D206 WeakPolarHBondContact CA-OD2 3.4Å; V202-D206 HydrophobicContact CG1-CB 4.39Å; V203-D206 WeakPolarHBondContact CG2-OD2 3.39Å; V203-D206 PolarHBondContact N-OD2 3.45Å; V203-D206 WeakPolarHBondContact O-CB 3.3Å; V203-D206 PolarHBondContact O-N 2.98Å; V203-D206 VanDerWaalsContact O-N 3.09Å; D206-I275 CarbonylContact O-C 3.59Å; D206-I275 WeakPolarHBondContact O-CA 3.42Å; D206-V276 HydrophobicContact CB-CG2 4.15Å; D206-V276 WeakPolarHBondContact O-CG2 3.49Å; D206-V276 PolarHBondContact O-N 3.32Å
207	V	94.3	Very high	91.3	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	116.1	167.9	177.2	0	0	0	0	108.3	T74 V188 V189 G205 I223 G274 I275	T74-V207 HydrophobicContact CG2-CG2 3.76Å; V188-V207 CarbonylContact C-O 3.44Å; V188-V207 WeakPolarHBondContact CA-O 3.33Å; V189-V207 HydrophobicContact CB-CB 4.26Å; V189-V207 HydrophobicContact CB-CG1 4.33Å; V189-V207 HydrophobicContact CG2-CG1 4.38Å; V189-V207 PolarHBondContact N-O 2.81Å; G205-V207 PolarHBondContact O-N 3.04Å; V207-I223 HydrophobicContact CG1-CD1 4.32Å; V207-G274 CarbonylContact C-O 3.49Å; V207-G274 WeakPolarHBondContact CA-O 3.48Å; V207-I275 HydrophobicContact CG2-CG1 3.98Å
208	V	94	Very high	91.3	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	143.1	177.4	-68.6	0	0	0	0	111.7	L187 V188 V202 P217 V220 R273 G274 V276	L187-V208 WeakPolarHBondContact O-CA 3.3Å; V188-V208 HydrophobicContact CG1-CG1 3.86Å; V202-V208 HydrophobicContact CG1-CG1 4.44Å; V208-P217 HydrophobicContact CG1-CG 4.15Å; V208-V220 HydrophobicContact CG2-CB 4.37Å; V208-V220 HydrophobicContact CG2-CG1 3.73Å; V208-V220 HydrophobicContact CG2-CG2 3.62Å; V208-R273 VanDerWaalsContact O-CA 3.31Å; V208-R273 WeakPolarHBondContact O-CA 3.35Å; V208-G274 WeakPolarHBondContact CG2-O 3.38Å; V208-G274 PolarHBondContact N-O 3.01Å; V208-G274 PolarHBondContact O-N 3.33Å; V208-G274 VanDerWaalsContact O-N 3.08Å; V208-V276 HydrophobicContact CG1-CG2 3.78Å; V208-V276 HydrophobicContact CG2-CG2 4.25Å
209	E	93.4	Very high	91.4	Very high	26 Å²	26	30.8 Å²	30.8	12%	0.121	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	130	170.1	-171.2	175	116.3	0	0	109.8	L187 R211 R273	L187-E209 HydrophobicContact CB-CB 4.41Å; L187-E209 PolarHBondContact O-N 3.32Å; E209-R211 IonicContact OE1-CZ 2.75Å; E209-R211 IonicContact OE1-NE 3.33Å; E209-R211 PolarHBondContact OE1-NE 3.5Å; E209-R211 VanDerWaalsContact OE1-NE 3.12Å; E209-R211 IonicContact OE1-NH2 2.91Å; E209-R211 PolarHBondContact OE1-NH2 3.27Å; E209-R273 HydrophobicContact CB-CG 4.25Å; E209-R273 HydrophobicContact CG-CG 4.11Å; E209-R273 IonicContact OE2-CZ 3.73Å; E209-R273 VanDerWaalsContact OE2-CZ 3.27Å; E209-R273 IonicContact OE2-NE 3.27Å; E209-R273 PolarHBondContact OE2-NE 3.2Å; E209-R273 IonicContact OE2-NH2 2.64Å; E209-R273 PolarHBondContact OE2-NH2 2.89Å
210	M	92.4	Very high	91.6	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.02	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	137.4	-174.9	-58.8	175.6	-68.3	0	0	110	V216 V220 F228 A261 T271 A272	M210-V216 HydrophobicContact SD-CB 4.25Å; M210-V216 HydrophobicContact SD-CG1 3.86Å; M210-V216 HydrophobicContact SD-CG2 3.85Å; M210-V220 HydrophobicContact CE-CG1 3.91Å; M210-F228 HydrophobicContact CB-CE2 3.96Å; M210-F228 HydrophobicContact CB-CZ 3.71Å; M210-F228 HydrophobicContact CE-CE1 3.92Å; M210-F228 HydrophobicContact CE-CZ 4.02Å; M210-F228 HydrophobicContact SD-CZ 4.23Å; M210-A261 HydrophobicContact CE-CB 4.32Å; M210-T271 WeakPolarHBondContact O-CA 3.38Å; M210-A272 HydrophobicContact CE-CB 4.16Å; M210-A272 PolarHBondContact N-O 2.98Å; M210-A272 PolarHBondContact O-N 3.35Å
211	R	91.1	Very high	91.8	Very high	120 Å²	120	26 Å²	26	45%	0.453	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	154.8	-178.8	-52.1	179.1	178	175.8	-0.2	110.4	E209 G213 D214 A267 T271	E209-R211 IonicContact OE1-CZ 2.75Å; E209-R211 IonicContact OE1-NE 3.33Å; E209-R211 PolarHBondContact OE1-NE 3.5Å; E209-R211 VanDerWaalsContact OE1-NE 3.12Å; E209-R211 IonicContact OE1-NH2 2.91Å; E209-R211 PolarHBondContact OE1-NH2 3.27Å; R211-G213 PolarHBondContact O-N 3.02Å; R211-D214 WeakPolarHBondContact CB-OD2 3.31Å; R211-D214 PolarHBondContact N-OD2 2.85Å; R211-D214 VanDerWaalsContact O-CB 3.3Å; R211-D214 WeakPolarHBondContact O-CB 3.32Å; R211-D214 PolarHBondContact O-N 2.94Å; R211-A267 VanDerWaalsContact O-CB 3.24Å; R211-A267 WeakPolarHBondContact O-CB 3.49Å; R211-T271 HydrophobicContact CB-CG2 4.36Å; R211-T271 HydrophobicContact CG-CG2 4.11Å
212	G	85.4	Confident	91.9	Very high	39 Å²	39	22.3 Å²	22.3	40%	0.402	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	124.3	173.4	0	0	0	0	0	111.7	G270	G212-G270 PolarHBondContact N-O 3.28Å
213	G	83.7	Confident	91.9	Very high	69 Å²	69	23.3 Å²	23.3	71%	0.711	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	106.4	-23.1	-170.6	0	0	0	0	0	114.4	R211 A267	R211-G213 PolarHBondContact O-N 3.02Å; G213-A267 PolarHBondContact N-O 3.39Å
214	D	86.7	Confident	91.7	Very high	64 Å²	64	24.8 Å²	24.8	34%	0.342	15%	0.146	S	C	.	.	P	Polyproline II helix	trans	-79.9	155.4	-179.9	-61.4	-32.3	0	0	0	112.2	R211 A267	R211-D214 WeakPolarHBondContact CB-OD2 3.31Å; R211-D214 PolarHBondContact N-OD2 2.85Å; R211-D214 VanDerWaalsContact O-CB 3.3Å; R211-D214 WeakPolarHBondContact O-CB 3.32Å; R211-D214 PolarHBondContact O-N 2.94Å; D214-A267 WeakPolarHBondContact O-CB 3.26Å; D214-A267 PolarHBondContact O-N 2.84Å
215	R	87.6	Confident	91.6	Very high	97 Å²	97	25.2 Å²	25.2	37%	0.366	15%	0.15	S	C	.	.	B	Isolated β-bridge	trans	-91.5	138.4	165	-83	-177.4	-178.8	171.7	7.1	110.6	D180 L181 P183 N266	D180-R215 PolarHBondContact O-NH1 3.17Å; L181-R215 WeakPolarHBondContact O-CD 3.33Å; L181-R215 PolarHBondContact O-NH1 3.29Å; P183-R215 HydrophobicContact CB-CB 4.08Å; P183-R215 HydrophobicContact CG-CB 4.01Å; R215-N266 WeakPolarHBondContact CG-OD1 3.35Å; R215-N266 PolarHBondContact NE-OD1 3.3Å
216	V	91.8	Very high	91.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-69.2	121	177.6	178.9	0	0	0	0	109.1	M210 A218 V220 V230 A261 F262 S264 T265	M210-V216 HydrophobicContact SD-CB 4.25Å; M210-V216 HydrophobicContact SD-CG1 3.86Å; M210-V216 HydrophobicContact SD-CG2 3.85Å; V216-A218 VanDerWaalsContact CG1-O 3.3Å; V216-A218 WeakPolarHBondContact CG1-O 3.19Å; V216-V220 HydrophobicContact CG1-CG2 4.32Å; V216-V230 HydrophobicContact CG2-CG1 4.38Å; V216-A261 HydrophobicContact CG1-CB 3.98Å; V216-A261 HydrophobicContact CG2-CB 4.24Å; V216-F262 WeakPolarHBondContact CB-O 3.29Å; V216-F262 WeakPolarHBondContact CG1-O 3.29Å; V216-S264 PolarHBondContact O-N 2.73Å; V216-T265 WeakPolarHBondContact CG2-O 3.36Å; V216-T265 VanDerWaalsContact CG2-OG1 3.31Å; V216-T265 WeakPolarHBondContact CG2-OG1 3.18Å; V216-T265 PolarHBondContact N-O 3.5Å
217	P	92.1	Very high	90.9	Very high	5 Å²	5	34.5 Å²	34.5	3%	0.032	21%	0.209	C	C	.	.			trans	-84.8	-14.8	-162.1	32.9	-38.2	0	0	0	115.5	N95 P183 S186 T199 V208 F263	N95-P217 PolarHBondContact ND2-O 3.32Å; P183-P217 HydrophobicContact CG-CB 4.26Å; S186-P217 WeakPolarHBondContact OG-CB 3.33Å; T199-P217 HydrophobicContact CG2-CB 3.92Å; V208-P217 HydrophobicContact CG1-CG 4.15Å; P217-F263 WeakPolarHBondContact O-CD2 3.46Å; P217-F263 WeakPolarHBondContact O-CE2 3.18Å
218	A	92.6	Very high	90.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	-160.7	-176.2	-177.6	0	0	0	0	0	108.3	V216 F263 V276 N278 T279	V216-A218 VanDerWaalsContact CG1-O 3.3Å; V216-A218 WeakPolarHBondContact CG1-O 3.19Å; A218-F263 PolarHBondContact O-N 2.96Å; A218-V276 HydrophobicContact CB-CG1 3.62Å; A218-V276 HydrophobicContact CB-CG2 4.18Å; A218-N278 WeakPolarHBondContact CB-O 3.41Å; A218-T279 HydrophobicContact CB-CG2 4.47Å
219	D	93.7	Very high	90.3	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.021	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	126.4	167.1	-69.7	-18	0	0	0	109.3	F262 F263 V277 N278 T283 L284	D219-F262 WeakPolarHBondContact OD1-CA 3.42Å; D219-F263 PolarHBondContact OD1-N 3.28Å; D219-V277 PolarHBondContact O-N 2.95Å; D219-N278 HydrophobicContact CB-CB 4.14Å; D219-N278 PolarHBondContact N-O 2.92Å; D219-N278 VanDerWaalsContact N-O 3.12Å; D219-T283 HydrophobicContact CB-CG2 4.5Å; D219-T283 WeakPolarHBondContact OD2-CA 3.44Å; D219-L284 PolarHBondContact OD2-N 2.82Å
220	V	94.1	Very high	90.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	126.4	-163.8	175.2	0	0	0	0	111.6	V208 M210 V216 L260 A261 I275 V276	V208-V220 HydrophobicContact CG2-CB 4.37Å; V208-V220 HydrophobicContact CG2-CG1 3.73Å; V208-V220 HydrophobicContact CG2-CG2 3.62Å; M210-V220 HydrophobicContact CE-CG1 3.91Å; V216-V220 HydrophobicContact CG1-CG2 4.32Å; V220-L260 CarbonylContact O-C 3.14Å; V220-L260 WeakPolarHBondContact O-CA 3.33Å; V220-A261 PolarHBondContact N-O 3.26Å; V220-A261 PolarHBondContact O-N 2.88Å; V220-I275 CarbonylContact C-O 3.53Å; V220-I275 WeakPolarHBondContact CA-O 3.45Å; V220-V276 HydrophobicContact CG2-CG2 4.28Å
221	R	94.7	Very high	89.8	Confident	10 Å²	10	36.6 Å²	36.6	4%	0.038	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	115.6	172.8	-179.6	68.1	-174.3	79.6	5.8	110.2	E60 L68 I223 V246 N259 L260 G274 I275 V277	E60-R221 VanDerWaalsContact O-CD 3.26Å; E60-R221 WeakPolarHBondContact O-CD 3.25Å; E60-R221 PolarHBondContact O-NE 3.46Å; L68-R221 HydrophobicContact CD1-CG 4.26Å; L68-R221 HydrophobicContact CD2-CB 4.18Å; L68-R221 HydrophobicContact CD2-CG 3.52Å; R221-I223 PolarHBondContact O-N 2.94Å; R221-V246 PolarHBondContact NH1-O 3.48Å; R221-V246 PolarHBondContact NH2-O 2.94Å; R221-V246 VanDerWaalsContact NH2-O 3.16Å; R221-N259 VanDerWaalsContact NH1-CB 3.34Å; R221-N259 PolarHBondContact NH1-ND2 2.92Å; R221-N259 PolarHBondContact NH1-O 3.45Å; R221-N259 VanDerWaalsContact NH1-O 3.11Å; R221-N259 PolarHBondContact NH2-ND2 3.4Å; R221-N259 VanDerWaalsContact NH2-ND2 3.12Å; R221-L260 HydrophobicContact CB-CD2 4.25Å; R221-G274 CarbonylContact O-C 3.55Å; R221-G274 WeakPolarHBondContact O-CA 3.44Å; R221-I275 PolarHBondContact N-O 3.17Å; R221-I275 PolarHBondContact O-N 3.49Å; R221-V277 HydrophobicContact CB-CG2 3.62Å
222	I	94.3	Very high	89.6	Confident	0 Å²	0	31 Å²	31	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	122.8	-170.1	-59.3	177.4	0	0	0	111.3	A224 F228 R244 N259 A261 A272	I222-A224 WeakPolarHBondContact CG2-O 3.46Å; I222-F228 HydrophobicContact CD1-CD1 4.42Å; I222-R244 HydrophobicContact CD1-CB 3.59Å; I222-R244 HydrophobicContact CD1-CG 4.07Å; I222-N259 PolarHBondContact N-O 3.45Å; I222-A261 HydrophobicContact CD1-CB 4.16Å; I222-A261 HydrophobicContact CG1-CB 4.48Å; I222-A272 HydrophobicContact CG2-CB 4.44Å
223	I	93.3	Very high	89.2	Confident	23 Å²	23	30.6 Å²	30.6	12%	0.118	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-26.2	-179.7	69.7	178	0	0	0	112.3	L65 Y69 P76 V207 R221 V246 R273 I275	L65-I223 HydrophobicContact CD2-CG2 4.11Å; Y69-I223 HydrophobicContact CE1-CG2 4.17Å; P76-I223 HydrophobicContact CB-CD1 4.38Å; V207-I223 HydrophobicContact CG1-CD1 4.32Å; R221-I223 PolarHBondContact O-N 2.94Å; I223-V246 VanDerWaalsContact O-CG2 3.28Å; I223-V246 WeakPolarHBondContact O-CG2 3.45Å; I223-R273 HydrophobicContact CD1-CB 4.45Å; I223-R273 HydrophobicContact CG1-CB 4.07Å; I223-R273 WeakPolarHBondContact CG1-O 3.46Å; I223-R273 PolarHBondContact N-O 2.85Å; I223-I275 HydrophobicContact CG2-CD1 4.35Å; I223-I275 HydrophobicContact CG2-CG1 4.28Å
224	A	91.7	Very high	88.9	Confident	35 Å²	35	28.1 Å²	28.1	29%	0.289	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	144.2	172.8	0	0	0	0	0	110.6	I222 A272 R273	I222-A224 WeakPolarHBondContact CG2-O 3.46Å; A224-A272 CarbonylContact O-C 3.19Å; A224-A272 VanDerWaalsContact O-CA 3.26Å; A224-A272 WeakPolarHBondContact O-CA 3.11Å; A224-A272 WeakPolarHBondContact O-CB 3.15Å; A224-R273 HydrophobicContact CB-CB 4.45Å; A224-R273 PolarHBondContact N-O 2.76Å; A224-R273 VanDerWaalsContact N-O 3.15Å; A224-R273 PolarHBondContact O-N 3.25Å
225	S	90.2	Very high	88.6	Confident	31 Å²	31	25.5 Å²	25.5	22%	0.217	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	132.9	179.5	172.4	0	0	0	0	110.7	F228 R244	S225-F228 VanDerWaalsContact OG-CB 3.26Å; S225-F228 WeakPolarHBondContact OG-CB 3.32Å; S225-F228 PolarHBondContact OG-N 2.73Å; S225-R244 WeakPolarHBondContact CB-O 3.34Å; S225-R244 PolarHBondContact OG-O 2.96Å
226	H	89.2	Confident	88	Confident	138 Å²	138	22 Å²	22	64%	0.639	14%	0.136	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-123.6	95.6	172.3	-62	-68.5	0	0	0	108.9	F228 G270 T271	H226-F228 PolarHBondContact O-N 2.92Å; H226-F228 VanDerWaalsContact O-N 3.14Å; H226-G270 VanDerWaalsContact O-CA 3.27Å; H226-G270 WeakPolarHBondContact O-CA 3.38Å; H226-T271 PolarHBondContact N-O 3.45Å; H226-T271 PolarHBondContact O-N 3.11Å
227	G	82.7	Confident	87	Confident	58 Å²	58	22.3 Å²	22.3	60%	0.598	14%	0.139	S	C	*	.	E	Extended strand (participates in β ladder)	trans	62.6	17.1	-179.5	0	0	0	0	0	114.7	K229	G227-K229 PolarHBondContact O-N 3.48Å
228	F	88.4	Confident	86.2	Confident	1 Å²	1	23.7 Å²	23.7	0%	0.004	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	126.9	-171.7	-165.8	-122.4	0	0	0	111.5	M210 I222 S225 H226 V230 R244 A267 E269 A272	M210-F228 HydrophobicContact CB-CE2 3.96Å; M210-F228 HydrophobicContact CB-CZ 3.71Å; M210-F228 HydrophobicContact CE-CE1 3.92Å; M210-F228 HydrophobicContact CE-CZ 4.02Å; M210-F228 HydrophobicContact SD-CZ 4.23Å; I222-F228 HydrophobicContact CD1-CD1 4.42Å; S225-F228 VanDerWaalsContact OG-CB 3.26Å; S225-F228 WeakPolarHBondContact OG-CB 3.32Å; S225-F228 PolarHBondContact OG-N 2.73Å; H226-F228 PolarHBondContact O-N 2.92Å; H226-F228 VanDerWaalsContact O-N 3.14Å; F228-V230 HydrophobicContact CD1-CG1 4.1Å; F228-V230 HydrophobicContact CE1-CG1 3.42Å; F228-V230 VanDerWaalsContact CE1-CG1 3.42Å; F228-V230 HydrophobicContact CZ-CG1 3.74Å; F228-R244 HydrophobicContact CB-CB 4.43Å; F228-R244 HydrophobicContact CD1-CB 3.79Å; F228-R244 HydrophobicContact CD1-CG 4.06Å; F228-R244 PolarHBondContact O-N 3.02Å; F228-A267 HydrophobicContact CE2-CB 3.49Å; F228-A267 VanDerWaalsContact CE2-CB 3.49Å; F228-A267 HydrophobicContact CZ-CB 3.72Å; F228-E269 WeakPolarHBondContact CA-O 3.35Å; F228-A272 HydrophobicContact CB-CB 3.89Å; F228-A272 HydrophobicContact CD1-CB 3.42Å; F228-A272 VanDerWaalsContact CD1-CB 3.42Å; F228-A272 HydrophobicContact CD2-CB 3.88Å; F228-A272 HydrophobicContact CE1-CB 3.8Å; F228-A272 HydrophobicContact CE2-CB 4.2Å; F228-A272 HydrophobicContact CG-CB 3.48Å; F228-A272 VanDerWaalsContact CG-CB 3.48Å; F228-A272 HydrophobicContact CZ-CB 4.18Å
229	K	87.6	Confident	85.1	Confident	48 Å²	48	26.9 Å²	26.9	21%	0.209	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	144	170.1	-54.3	-168.9	-173.7	150.4	0	110.4	G227 A241 Q242 S243 V268 E269	G227-K229 PolarHBondContact O-N 3.48Å; K229-A241 HydrophobicContact CB-CB 4.04Å; K229-A241 HydrophobicContact CD-CB 4.16Å; K229-Q242 VanDerWaalsContact CA-O 3.31Å; K229-Q242 WeakPolarHBondContact CA-O 3.43Å; K229-S243 WeakPolarHBondContact CE-OG 3.27Å; K229-V268 PolarHBondContact O-N 3.08Å; K229-E269 HydrophobicContact CB-CG 4.05Å; K229-E269 HydrophobicContact CD-CG 4.12Å; K229-E269 WeakPolarHBondContact CD-OE1 3.39Å; K229-E269 WeakPolarHBondContact CE-OE1 3.35Å; K229-E269 HydrophobicContact CG-CG 3.97Å; K229-E269 PolarHBondContact N-O 2.95Å; K229-E269 IonicContact NZ-OE1 2.67Å; K229-E269 PolarHBondContact NZ-OE1 2.88Å
230	V	89.2	Confident	84.3	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	144.5	177.7	-62.3	0	0	0	0	110.9	V216 F228 N232 A241 Q242 R244 N266	V216-V230 HydrophobicContact CG2-CG1 4.38Å; F228-V230 HydrophobicContact CD1-CG1 4.1Å; F228-V230 HydrophobicContact CE1-CG1 3.42Å; F228-V230 VanDerWaalsContact CE1-CG1 3.42Å; F228-V230 HydrophobicContact CZ-CG1 3.74Å; V230-N232 WeakPolarHBondContact CG2-OD1 2.88Å; V230-A241 CarbonylContact O-C 3.6Å; V230-Q242 PolarHBondContact N-O 2.78Å; V230-Q242 PolarHBondContact O-N 2.96Å; V230-R244 HydrophobicContact CG1-CG 4.27Å; V230-R244 HydrophobicContact CG2-CG 3.76Å; V230-N266 CarbonylContact C-O 3.56Å; V230-N266 VanDerWaalsContact CA-O 3.26Å; V230-N266 WeakPolarHBondContact CA-O 3.47Å
231	D	86.3	Confident	83.7	Confident	27 Å²	27	32.8 Å²	32.8	14%	0.144	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	115.4	168.1	173.6	25	0	0	0	109.4	S233 T265 N266 V268	D231-S233 WeakPolarHBondContact OD1-CB 3.49Å; D231-S233 PolarHBondContact OD1-N 3.4Å; D231-S233 PolarHBondContact OD1-OG 2.95Å; D231-S233 VanDerWaalsContact OD1-OG 3.06Å; D231-S233 PolarHBondContact OD2-OG 2.99Å; D231-T265 VanDerWaalsContact O-CB 3.28Å; D231-T265 WeakPolarHBondContact O-CB 3.37Å; D231-N266 HydrophobicContact CB-CB 4.44Å; D231-N266 PolarHBondContact N-O 3.42Å; D231-V268 HydrophobicContact CB-CG2 3.83Å
232	N	85.8	Confident	83.2	Confident	3 Å²	3	35.3 Å²	35.3	2%	0.016	21%	0.212	C	C	.	.			trans	-94.8	8.1	179.7	-93.8	32.9	0	0	0	112.9	V230 S234 L235 T236 Q242 R244	V230-N232 WeakPolarHBondContact CG2-OD1 2.88Å; N232-S234 PolarHBondContact O-N 2.89Å; N232-L235 PolarHBondContact O-N 2.79Å; N232-T236 HydrophobicContact CB-CG2 4.37Å; N232-T236 PolarHBondContact O-N 3.1Å; N232-T236 PolarHBondContact O-OG1 3.41Å; N232-Q242 HydrophobicContact CB-CG 4.42Å; N232-R244 PolarHBondContact ND2-NH2 3.19Å; N232-R244 VanDerWaalsContact ND2-NH2 3.1Å; N232-R244 PolarHBondContact OD1-NH2 2.94Å
233	S	78.2	Confident	83	Confident	30 Å²	30	38 Å²	38	21%	0.21	23%	0.231	C	C	.	.	H	α-helix	trans	-47	-38	-177.1	59.3	0	0	0	0	114.4	D231 L235 G237 E238	D231-S233 WeakPolarHBondContact OD1-CB 3.49Å; D231-S233 PolarHBondContact OD1-N 3.4Å; D231-S233 PolarHBondContact OD1-OG 2.95Å; D231-S233 VanDerWaalsContact OD1-OG 3.06Å; D231-S233 PolarHBondContact OD2-OG 2.99Å; S233-L235 PolarHBondContact O-N 3.12Å; S233-G237 VanDerWaalsContact O-CA 3.24Å; S233-G237 WeakPolarHBondContact O-CA 3.45Å; S233-G237 PolarHBondContact O-N 3.48Å; S233-E238 VanDerWaalsContact CA-O 3.27Å; S233-E238 WeakPolarHBondContact CA-O 3.26Å; S233-E238 PolarHBondContact N-O 2.93Å; S233-E238 VanDerWaalsContact N-O 3.14Å
234	S	77.5	Confident	82.8	Confident	17 Å²	17	37.7 Å²	37.7	12%	0.119	23%	0.228	C	C	.	.	H	α-helix	trans	-65.4	-19.3	177.8	-65.2	0	0	0	0	114.4	N232 V756 N757	N232-S234 PolarHBondContact O-N 2.89Å; S234-V756 WeakPolarHBondContact O-CB 3.36Å; S234-N757 PolarHBondContact O-N 2.83Å
235	L	79.4	Confident	82.6	Confident	8 Å²	8	37 Å²	37	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-112.3	-40.6	-177.1	-65	172.2	0	0	0	112.9	N232 S233 F262 T265 L284 M285 I288 N757	N232-L235 PolarHBondContact O-N 2.79Å; S233-L235 PolarHBondContact O-N 3.12Å; L235-F262 HydrophobicContact CD1-CB 3.42Å; L235-F262 VanDerWaalsContact CD1-CB 3.42Å; L235-F262 HydrophobicContact CD1-CD1 4.45Å; L235-F262 HydrophobicContact CD1-CD2 3.73Å; L235-F262 HydrophobicContact CD1-CG 3.62Å; L235-T265 HydrophobicContact CD1-CG2 4.02Å; L235-L284 HydrophobicContact CD1-CD2 3.72Å; L235-L284 HydrophobicContact CD2-CD2 3.73Å; L235-L284 HydrophobicContact CD2-CG 4.05Å; L235-L284 HydrophobicContact CG-CD2 4.3Å; L235-M285 HydrophobicContact CD2-SD 4.18Å; L235-I288 HydrophobicContact CD2-CD1 3.83Å; L235-N757 WeakPolarHBondContact O-CB 3.38Å
236	T	75.6	Confident	82.7	Confident	25 Å²	25	37.8 Å²	37.8	15%	0.153	23%	0.228	C	C	.	.	H	α-helix	trans	-99.8	-22.4	-177.5	57.9	0	0	0	0	113.3	N232 E238 N757	N232-T236 HydrophobicContact CB-CG2 4.37Å; N232-T236 PolarHBondContact O-N 3.1Å; N232-T236 PolarHBondContact O-OG1 3.41Å; T236-E238 WeakPolarHBondContact OG1-CB 3.49Å; T236-E238 PolarHBondContact OG1-N 2.97Å; T236-E238 VanDerWaalsContact OG1-N 3.11Å; T236-N757 PolarHBondContact O-ND2 3.38Å
237	G	71.1	Confident	82.6	Confident	6 Å²	6	38.8 Å²	38.8	6%	0.062	23%	0.233	C	C	.	.	S	Bend	trans	79	2.8	-164.4	0	0	0	0	0	113.6	S233 T396 N757	S233-G237 VanDerWaalsContact O-CA 3.24Å; S233-G237 WeakPolarHBondContact O-CA 3.45Å; S233-G237 PolarHBondContact O-N 3.48Å; G237-T396 WeakPolarHBondContact O-CG2 3.2Å; G237-N757 PolarHBondContact N-ND2 2.93Å
238	E	74	Confident	82.8	Confident	34 Å²	34	38.2 Å²	38.2	16%	0.159	22%	0.219	C	C	.	.			trans	-100.6	121.9	-179.1	-61.9	169.1	166.8	0	0	110.8	S233 T236 E240 R729	S233-E238 VanDerWaalsContact CA-O 3.27Å; S233-E238 WeakPolarHBondContact CA-O 3.26Å; S233-E238 PolarHBondContact N-O 2.93Å; S233-E238 VanDerWaalsContact N-O 3.14Å; T236-E238 WeakPolarHBondContact OG1-CB 3.49Å; T236-E238 PolarHBondContact OG1-N 2.97Å; T236-E238 VanDerWaalsContact OG1-N 3.11Å; E238-E240 VanDerWaalsContact C-N 3.3Å; E238-E240 PolarHBondContact O-N 3.23Å; E238-R729 IonicContact OE1-NH1 2.7Å; E238-R729 PolarHBondContact OE1-NH1 2.84Å; E238-R729 IonicContact OE2-NH1 3.46Å; E238-R729 PolarHBondContact OE2-NH1 3.33Å
239	S	70.7	Confident	82.7	Confident	67 Å²	67	41.5 Å²	41.5	47%	0.469	24%	0.239	S	C	.	.			trans	-82.7	1.5	177.7	50.9	0	0	0	0	114.3	A241 N402	S239-A241 PolarHBondContact O-N 3.45Å; S239-N402 PolarHBondContact OG-OD1 3.36Å
240	E	76	Confident	82.4	Confident	96 Å²	96	41 Å²	41	45%	0.449	24%	0.239	S	C	.	.	S	Bend	trans	-75.6	121.8	176.5	-177.7	168.3	-156	0	0	111.1	E238 Q242 R588	E238-E240 VanDerWaalsContact C-N 3.3Å; E238-E240 PolarHBondContact O-N 3.23Å; E240-Q242 WeakPolarHBondContact O-CG 3.5Å; E240-Q242 PolarHBondContact O-N 2.95Å; E240-Q242 VanDerWaalsContact O-N 3.08Å; E240-Q242 PolarHBondContact O-NE2 3.45Å; E240-R588 IonicContact OE1-CZ 2.77Å; E240-R588 IonicContact OE1-NH1 2.66Å; E240-R588 PolarHBondContact OE1-NH1 2.95Å; E240-R588 IonicContact OE1-NH2 3.31Å; E240-R588 IonicContact OE2-NH1 2.71Å
241	A	81.7	Confident	81.8	Confident	31 Å²	31	43.9 Å²	43.9	26%	0.256	26%	0.258	S	S	.	.			trans	-62.2	107.9	-177.3	0	0	0	0	0	112.4	K229 V230 S239 V268	K229-A241 HydrophobicContact CB-CB 4.04Å; K229-A241 HydrophobicContact CD-CB 4.16Å; V230-A241 CarbonylContact O-C 3.6Å; S239-A241 PolarHBondContact O-N 3.45Å; A241-V268 HydrophobicContact CB-CB 4.16Å; A241-V268 HydrophobicContact CB-CG1 4.2Å; A241-V268 HydrophobicContact CB-CG2 3.99Å
242	Q	85.5	Confident	81.4	Confident	63 Å²	63	48.3 Å²	48.3	29%	0.294	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	126.1	-176.7	-63.2	-54.6	-46.9	0	0	111.1	K229 V230 N232 E240	K229-Q242 VanDerWaalsContact CA-O 3.31Å; K229-Q242 WeakPolarHBondContact CA-O 3.43Å; V230-Q242 PolarHBondContact N-O 2.78Å; V230-Q242 PolarHBondContact O-N 2.96Å; N232-Q242 HydrophobicContact CB-CG 4.42Å; E240-Q242 WeakPolarHBondContact O-CG 3.5Å; E240-Q242 PolarHBondContact O-N 2.95Å; E240-Q242 VanDerWaalsContact O-N 3.08Å; E240-Q242 PolarHBondContact O-NE2 3.45Å
243	S	88.2	Confident	81	Confident	57 Å²	57	50.6 Å²	50.6	40%	0.399	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	138.8	-178.7	-57.7	0	0	0	0	112.4	K229 K258	K229-S243 WeakPolarHBondContact CE-OG 3.27Å; S243-K258 WeakPolarHBondContact O-CD 3.37Å; S243-K258 VanDerWaalsContact O-CG 3.3Å; S243-K258 WeakPolarHBondContact O-CG 3.25Å
244	R	89.9	Confident	81.2	Confident	17 Å²	17	50 Å²	50	6%	0.064	29%	0.289	C	S	.	.			trans	-121	143	-171.6	-62.9	-66.7	159.1	-174.3	-13.5	112.4	I222 S225 F228 V230 N232 T257 K258 L260	I222-R244 HydrophobicContact CD1-CB 3.59Å; I222-R244 HydrophobicContact CD1-CG 4.07Å; S225-R244 WeakPolarHBondContact CB-O 3.34Å; S225-R244 PolarHBondContact OG-O 2.96Å; F228-R244 HydrophobicContact CB-CB 4.43Å; F228-R244 HydrophobicContact CD1-CB 3.79Å; F228-R244 HydrophobicContact CD1-CG 4.06Å; F228-R244 PolarHBondContact O-N 3.02Å; V230-R244 HydrophobicContact CG1-CG 4.27Å; V230-R244 HydrophobicContact CG2-CG 3.76Å; N232-R244 PolarHBondContact ND2-NH2 3.19Å; N232-R244 VanDerWaalsContact ND2-NH2 3.1Å; N232-R244 PolarHBondContact OD1-NH2 2.94Å; R244-T257 PolarHBondContact NH1-O 2.7Å; R244-K258 CarbonylContact C-O 3.6Å; R244-K258 VanDerWaalsContact CA-O 3.23Å; R244-K258 WeakPolarHBondContact CA-O 3.43Å; R244-K258 VanDerWaalsContact CD-O 3.26Å; R244-K258 WeakPolarHBondContact CD-O 3.38Å; R244-L260 WeakPolarHBondContact CD-O 3.44Å; R244-L260 PolarHBondContact NH1-O 2.99Å
245	G	88.5	Confident	81.4	Confident	21 Å²	21	51.2 Å²	51.2	22%	0.216	29%	0.294	C	S	.	.			trans	-152.9	178.6	-173.4	0	0	0	0	0	112.1	K258 N259	G245-K258 PolarHBondContact N-O 3.31Å; G245-N259 WeakPolarHBondContact O-CA 3.28Å; G245-N259 VanDerWaalsContact O-CB 3.25Å; G245-N259 WeakPolarHBondContact O-CB 3.39Å
246	V	90.9	Very high	81.5	Confident	47 Å²	47	54.4 Å²	54.4	29%	0.285	31%	0.309	S	S	.	.	S	Bend	trans	-85.1	-29.4	-174	-173.6	0	0	0	0	112.5	L65 R221 I223 N259	L65-V246 HydrophobicContact CD1-CG1 3.8Å; L65-V246 HydrophobicContact CD2-CG1 4.46Å; R221-V246 PolarHBondContact NH1-O 3.48Å; R221-V246 PolarHBondContact NH2-O 2.94Å; R221-V246 VanDerWaalsContact NH2-O 3.16Å; I223-V246 VanDerWaalsContact O-CG2 3.28Å; I223-V246 WeakPolarHBondContact O-CG2 3.45Å; V246-N259 WeakPolarHBondContact O-CB 3.37Å
247	E	86.7	Confident	82.1	Confident	158 Å²	158	53.2 Å²	53.2	74%	0.738	30%	0.301	S	S	*	.	S	Bend	trans	-77.9	139.5	-175.3	-61.3	-178.2	165.3	0	0	113.2	T249 N259	E247-T249 PolarHBondContact O-N 3.44Å; E247-N259 WeakPolarHBondContact O-CB 3.01Å
248	C	87.7	Confident	83	Confident	47 Å²	47	57.3 Å²	57.3	32%	0.318	32%	0.317	S	S	.	.			trans	-72.4	109.2	174.3	-177.9	0	0	0	0	110.6	H61 N259	H61-C248 WeakPolarHBondContact O-CB 3.45Å; C248-N259 VanDerWaalsContact CA-ND2 3.3Å; C248-N259 WeakPolarHBondContact CA-ND2 3.48Å; C248-N259 PolarHBondContact N-ND2 3.04Å
249	T	85.8	Confident	83.9	Confident	69 Å²	69	55.7 Å²	55.7	42%	0.423	31%	0.31	S	S	.	.	S	Bend	trans	-93.6	-26.6	-178.3	56.6	0	0	0	0	114.2	E247 T257 K258	E247-T249 PolarHBondContact O-N 3.44Å; T249-T257 PolarHBondContact N-OG1 3.26Å; T249-T257 WeakPolarHBondContact OG1-CA 3.48Å; T249-K258 HydrophobicContact CG2-CB 4.09Å; T249-K258 HydrophobicContact CG2-CD 3.84Å; T249-K258 HydrophobicContact CG2-CG 3.91Å; T249-K258 PolarHBondContact OG1-N 3.14Å
250	N	82.1	Confident	85	Confident	37 Å²	37	52.7 Å²	52.7	20%	0.198	29%	0.289	C	S	.	.			trans	-129.3	103.8	172.1	-171.5	-25.1	0	0	0	108.3	D252 N253 E256	N250-D252 VanDerWaalsContact C-N 3.26Å; N250-D252 PolarHBondContact O-N 3.4Å; N250-D252 PolarHBondContact OD1-N 3.45Å; N250-N253 PolarHBondContact OD1-N 3.06Å; N250-N253 VanDerWaalsContact OD1-N 3.11Å; N250-E256 HydrophobicContact CB-CB 4.12Å; N250-E256 PolarHBondContact ND2-OE2 2.97Å
251	P	77.1	Confident	85.7	Confident	62 Å²	62	48.1 Å²	48.1	40%	0.403	27%	0.267	S	S	.	.	S	Bend	trans	-64.2	-29.8	178.9	-23.2	34.7	0	0	0	113.3	H61 R62	H61-P251 PolarHBondContact NE2-O 3.08Å; R62-P251 PolarHBondContact NE-O 3.42Å; R62-P251 PolarHBondContact NH2-O 3.19Å
252	D	76.4	Confident	86.2	Confident	120 Å²	120	46.8 Å²	46.8	64%	0.642	26%	0.256	S	S	*	.	S	Bend	trans	-96.4	-29	-165	-59.4	-30.8	0	0	0	113.2	R62 N250	R62-D252 IonicContact CZ-OD1 3.74Å; R62-D252 IonicContact NH2-OD1 3.93Å; R62-D252 PolarHBondContact NH2-OD1 2.72Å; N250-D252 VanDerWaalsContact C-N 3.26Å; N250-D252 PolarHBondContact O-N 3.4Å; N250-D252 PolarHBondContact OD1-N 3.45Å
253	N	77.3	Confident	86.4	Confident	51 Å²	51	43.9 Å²	43.9	27%	0.273	24%	0.242	S	C	.	.			trans	-117.8	110.2	176.9	-170.5	-6.7	0	0	0	111.6	N250 L255 E256 T257	N250-N253 PolarHBondContact OD1-N 3.06Å; N250-N253 VanDerWaalsContact OD1-N 3.11Å; N253-L255 PolarHBondContact O-N 3.14Å; N253-L255 WeakPolarHBondContact OD1-CB 3.39Å; N253-L255 PolarHBondContact OD1-N 3.44Å; N253-E256 PolarHBondContact O-N 3.49Å; N253-T257 PolarHBondContact O-N 3.08Å
254	P	83.5	Confident	86.2	Confident	16 Å²	16	41.4 Å²	41.4	10%	0.104	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-26.1	178.3	24.9	-32.9	0	0	0	113.1	M58 E256 T257 L260 F262	M58-P254 HydrophobicContact CE-CB 3.58Å; M58-P254 HydrophobicContact CE-CG 4.16Å; P254-E256 VanDerWaalsContact C-N 3.27Å; P254-E256 PolarHBondContact O-N 2.91Å; P254-T257 WeakPolarHBondContact O-CG2 3.38Å; P254-L260 HydrophobicContact CB-CD1 3.72Å; P254-F262 WeakPolarHBondContact O-CZ 3.45Å
255	L	81.6	Confident	86.1	Confident	44 Å²	44	40.6 Å²	40.6	23%	0.23	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-31.2	178.7	-67.7	169.2	0	0	0	113.2	N253 F262 L284	N253-L255 PolarHBondContact O-N 3.14Å; N253-L255 WeakPolarHBondContact OD1-CB 3.39Å; N253-L255 PolarHBondContact OD1-N 3.44Å; L255-F262 HydrophobicContact CD2-CZ 4.32Å; L255-L284 HydrophobicContact CD2-CD1 4.49Å; L255-L284 HydrophobicContact CD2-CD2 3.34Å
256	E	81.6	Confident	86	Confident	74 Å²	74	42 Å²	42	35%	0.346	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-11.2	-172.3	-64	-166.2	144.9	0	0	113.8	N250 N253 P254 R729	N250-E256 HydrophobicContact CB-CB 4.12Å; N250-E256 PolarHBondContact ND2-OE2 2.97Å; N253-E256 PolarHBondContact O-N 3.49Å; P254-E256 VanDerWaalsContact C-N 3.27Å; P254-E256 PolarHBondContact O-N 2.91Å; E256-R729 IonicContact OE1-CZ 3.51Å; E256-R729 IonicContact OE1-NE 2.69Å; E256-R729 PolarHBondContact OE1-NE 3.21Å; E256-R729 IonicContact OE1-NH2 2.66Å; E256-R729 PolarHBondContact OE1-NH2 3Å
257	T	88.1	Confident	85.9	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.212	C	C	.	.			trans	-72.7	136.3	175.1	-174.6	0	0	0	0	111.1	H61 R244 T249 N253 P254 N259 L260	H61-T257 HydrophobicContact CB-CG2 3.87Å; R244-T257 PolarHBondContact NH1-O 2.7Å; T249-T257 PolarHBondContact N-OG1 3.26Å; T249-T257 WeakPolarHBondContact OG1-CA 3.48Å; N253-T257 PolarHBondContact O-N 3.08Å; P254-T257 WeakPolarHBondContact O-CG2 3.38Å; T257-N259 WeakPolarHBondContact CB-OD1 3.19Å; T257-N259 WeakPolarHBondContact CG2-OD1 3.37Å; T257-N259 PolarHBondContact O-N 3.22Å; T257-N259 VanDerWaalsContact O-N 3.16Å; T257-N259 PolarHBondContact OG1-OD1 3.22Å; T257-L260 HydrophobicContact CG2-CD1 3.95Å; T257-L260 HydrophobicContact CG2-CG 4.08Å
258	K	89.6	Confident	85.9	Confident	92 Å²	92	36 Å²	36	40%	0.4	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-7.2	-179.1	-64.9	-174.6	-169.2	173.1	0	114	S243 R244 G245 T249	S243-K258 WeakPolarHBondContact O-CD 3.37Å; S243-K258 VanDerWaalsContact O-CG 3.3Å; S243-K258 WeakPolarHBondContact O-CG 3.25Å; R244-K258 CarbonylContact C-O 3.6Å; R244-K258 VanDerWaalsContact CA-O 3.23Å; R244-K258 WeakPolarHBondContact CA-O 3.43Å; R244-K258 VanDerWaalsContact CD-O 3.26Å; R244-K258 WeakPolarHBondContact CD-O 3.38Å; G245-K258 PolarHBondContact N-O 3.31Å; T249-K258 HydrophobicContact CG2-CB 4.09Å; T249-K258 HydrophobicContact CG2-CD 3.84Å; T249-K258 HydrophobicContact CG2-CG 3.91Å; T249-K258 PolarHBondContact OG1-N 3.14Å
259	N	93.1	Very high	85.8	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	7.7	-167.5	76.8	-16.8	0	0	0	115.6	H61 R221 I222 G245 V246 E247 C248 T257	H61-N259 WeakPolarHBondContact CB-OD1 3.44Å; H61-N259 PolarHBondContact O-ND2 2.82Å; R221-N259 VanDerWaalsContact NH1-CB 3.34Å; R221-N259 PolarHBondContact NH1-ND2 2.92Å; R221-N259 PolarHBondContact NH1-O 3.45Å; R221-N259 VanDerWaalsContact NH1-O 3.11Å; R221-N259 PolarHBondContact NH2-ND2 3.4Å; R221-N259 VanDerWaalsContact NH2-ND2 3.12Å; I222-N259 PolarHBondContact N-O 3.45Å; G245-N259 WeakPolarHBondContact O-CA 3.28Å; G245-N259 VanDerWaalsContact O-CB 3.25Å; G245-N259 WeakPolarHBondContact O-CB 3.39Å; V246-N259 WeakPolarHBondContact O-CB 3.37Å; E247-N259 WeakPolarHBondContact O-CB 3.01Å; C248-N259 VanDerWaalsContact CA-ND2 3.3Å; C248-N259 WeakPolarHBondContact CA-ND2 3.48Å; C248-N259 PolarHBondContact N-ND2 3.04Å; T257-N259 WeakPolarHBondContact CB-OD1 3.19Å; T257-N259 WeakPolarHBondContact CG2-OD1 3.37Å; T257-N259 PolarHBondContact O-N 3.22Å; T257-N259 VanDerWaalsContact O-N 3.16Å; T257-N259 PolarHBondContact OG1-OD1 3.22Å
260	L	92.7	Very high	85.7	Confident	5 Å²	5	36.3 Å²	36.3	3%	0.026	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	144	164.8	-64.5	173	0	0	0	109.8	M58 H61 V220 R221 R244 P254 T257 F262	M58-L260 HydrophobicContact CE-CD1 3.56Å; H61-L260 HydrophobicContact CB-CD1 3.93Å; H61-L260 HydrophobicContact CB-CD2 4.31Å; H61-L260 HydrophobicContact CB-CG 4Å; V220-L260 CarbonylContact O-C 3.14Å; V220-L260 WeakPolarHBondContact O-CA 3.33Å; R221-L260 HydrophobicContact CB-CD2 4.25Å; R244-L260 WeakPolarHBondContact CD-O 3.44Å; R244-L260 PolarHBondContact NH1-O 2.99Å; P254-L260 HydrophobicContact CB-CD1 3.72Å; T257-L260 HydrophobicContact CG2-CD1 3.95Å; T257-L260 HydrophobicContact CG2-CG 4.08Å; L260-F262 HydrophobicContact CB-CE1 4.25Å; L260-F262 HydrophobicContact CB-CE2 4.34Å; L260-F262 HydrophobicContact CB-CZ 3.91Å; L260-F262 HydrophobicContact CD1-CE1 4.21Å; L260-F262 HydrophobicContact CD1-CZ 4.08Å
261	A	92.6	Very high	86.2	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	148.3	159.4	0	0	0	0	0	108	M210 V216 V220 I222	M210-A261 HydrophobicContact CE-CB 4.32Å; V216-A261 HydrophobicContact CG1-CB 3.98Å; V216-A261 HydrophobicContact CG2-CB 4.24Å; V220-A261 PolarHBondContact N-O 3.26Å; V220-A261 PolarHBondContact O-N 2.88Å; I222-A261 HydrophobicContact CD1-CB 4.16Å; I222-A261 HydrophobicContact CG1-CB 4.48Å
262	F	91.5	Very high	87	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.009	19%	0.189	C	C	.	.			trans	-117.7	150.4	-168.3	-62.2	-75.8	0	0	0	112.9	M58 V216 D219 L235 P254 L255 L260 S264 T265 L284	M58-F262 HydrophobicContact CE-CE1 4.3Å; V216-F262 WeakPolarHBondContact CB-O 3.29Å; V216-F262 WeakPolarHBondContact CG1-O 3.29Å; D219-F262 WeakPolarHBondContact OD1-CA 3.42Å; L235-F262 HydrophobicContact CD1-CB 3.42Å; L235-F262 VanDerWaalsContact CD1-CB 3.42Å; L235-F262 HydrophobicContact CD1-CD1 4.45Å; L235-F262 HydrophobicContact CD1-CD2 3.73Å; L235-F262 HydrophobicContact CD1-CG 3.62Å; P254-F262 WeakPolarHBondContact O-CZ 3.45Å; L255-F262 HydrophobicContact CD2-CZ 4.32Å; L260-F262 HydrophobicContact CB-CE1 4.25Å; L260-F262 HydrophobicContact CB-CE2 4.34Å; L260-F262 HydrophobicContact CB-CZ 3.91Å; L260-F262 HydrophobicContact CD1-CE1 4.21Å; L260-F262 HydrophobicContact CD1-CZ 4.08Å; F262-S264 PolarHBondContact O-N 2.82Å; F262-T265 HydrophobicContact CB-CG2 3.98Å; F262-T265 WeakPolarHBondContact O-CB 3.27Å; F262-T265 PolarHBondContact O-N 3.45Å; F262-T265 VanDerWaalsContact O-N 3.14Å; F262-T265 PolarHBondContact O-OG1 3.1Å; F262-L284 HydrophobicContact CD1-CB 4.32Å; F262-L284 HydrophobicContact CD1-CD2 3.74Å; F262-L284 HydrophobicContact CE1-CD2 3.93Å; F262-L284 HydrophobicContact CG-CD2 4.2Å
263	F	88.9	Confident	87.8	Confident	3 Å²	3	33.5 Å²	33.5	1%	0.013	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	140.5	174.4	-175.8	-132.5	0	0	0	111.7	L97 V182 P217 A218 D219 T265 T283 M285	L97-F263 HydrophobicContact CD1-CE1 4.3Å; L97-F263 HydrophobicContact CD2-CE1 4.08Å; L97-F263 HydrophobicContact CG-CE1 4.18Å; V182-F263 HydrophobicContact CB-CZ 4.29Å; V182-F263 HydrophobicContact CG1-CE2 4.08Å; V182-F263 HydrophobicContact CG1-CZ 3.97Å; V182-F263 HydrophobicContact CG2-CZ 3.76Å; P217-F263 WeakPolarHBondContact O-CD2 3.46Å; P217-F263 WeakPolarHBondContact O-CE2 3.18Å; A218-F263 PolarHBondContact O-N 2.96Å; D219-F263 PolarHBondContact OD1-N 3.28Å; F263-T265 VanDerWaalsContact C-N 3.26Å; F263-T265 PolarHBondContact O-N 3.27Å; F263-T283 HydrophobicContact CB-CG2 3.82Å; F263-T283 HydrophobicContact CD1-CG2 4.2Å; F263-T283 WeakPolarHBondContact CD1-OG1 3.34Å; F263-T283 HydrophobicContact CG-CG2 4.12Å; F263-M285 HydrophobicContact CB-CB 4.32Å; F263-M285 HydrophobicContact CD1-CB 3.97Å; F263-M285 HydrophobicContact CD1-CG 4.33Å
264	S	83.6	Confident	88.6	Confident	4 Å²	4	31.1 Å²	31.1	3%	0.028	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.4	-5.7	-174.2	80.1	0	0	0	0	117.7	V216 F262 M285	V216-S264 PolarHBondContact O-N 2.73Å; F262-S264 PolarHBondContact O-N 2.82Å; S264-M285 WeakPolarHBondContact OG-CG 3.24Å
265	T	88.2	Confident	89.1	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-71.7	146.5	172.8	62.1	0	0	0	0	111.4	V216 D231 L235 F262 F263	V216-T265 WeakPolarHBondContact CG2-O 3.36Å; V216-T265 VanDerWaalsContact CG2-OG1 3.31Å; V216-T265 WeakPolarHBondContact CG2-OG1 3.18Å; V216-T265 PolarHBondContact N-O 3.5Å; D231-T265 VanDerWaalsContact O-CB 3.28Å; D231-T265 WeakPolarHBondContact O-CB 3.37Å; L235-T265 HydrophobicContact CD1-CG2 4.02Å; F262-T265 HydrophobicContact CB-CG2 3.98Å; F262-T265 WeakPolarHBondContact O-CB 3.27Å; F262-T265 PolarHBondContact O-N 3.45Å; F262-T265 VanDerWaalsContact O-N 3.14Å; F262-T265 PolarHBondContact O-OG1 3.1Å; F263-T265 VanDerWaalsContact C-N 3.26Å; F263-T265 PolarHBondContact O-N 3.27Å
266	N	87.2	Confident	89.7	Confident	51 Å²	51	28.2 Å²	28.2	27%	0.273	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	132.4	177	-54.9	-65.8	0	0	0	109.4	R215 V230 D231 V268	R215-N266 WeakPolarHBondContact CG-OD1 3.35Å; R215-N266 PolarHBondContact NE-OD1 3.3Å; V230-N266 CarbonylContact C-O 3.56Å; V230-N266 VanDerWaalsContact CA-O 3.26Å; V230-N266 WeakPolarHBondContact CA-O 3.47Å; D231-N266 HydrophobicContact CB-CB 4.44Å; D231-N266 PolarHBondContact N-O 3.42Å; N266-V268 PolarHBondContact O-N 3.04Å
267	A	89.4	Confident	90.3	Very high	4 Å²	4	24.9 Å²	24.9	3%	0.033	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	121.6	166	0	0	0	0	0	109.4	R211 G213 D214 F228	R211-A267 VanDerWaalsContact O-CB 3.24Å; R211-A267 WeakPolarHBondContact O-CB 3.49Å; G213-A267 PolarHBondContact N-O 3.39Å; D214-A267 WeakPolarHBondContact O-CB 3.26Å; D214-A267 PolarHBondContact O-N 2.84Å; F228-A267 HydrophobicContact CE2-CB 3.49Å; F228-A267 VanDerWaalsContact CE2-CB 3.49Å; F228-A267 HydrophobicContact CZ-CB 3.72Å
268	V	85.7	Confident	90.5	Very high	76 Å²	76	26.5 Å²	26.5	46%	0.461	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-47.7	-177.8	178.5	0	0	0	0	110.7	K229 D231 A241 N266	K229-V268 PolarHBondContact O-N 3.08Å; D231-V268 HydrophobicContact CB-CG2 3.83Å; A241-V268 HydrophobicContact CB-CB 4.16Å; A241-V268 HydrophobicContact CB-CG1 4.2Å; A241-V268 HydrophobicContact CB-CG2 3.99Å; N266-V268 PolarHBondContact O-N 3.04Å
269	E	84.9	Confident	90.7	Very high	91 Å²	91	22.6 Å²	22.6	43%	0.425	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	168.1	-179.9	62.1	176.5	176.9	0	0	111.9	F228 K229	F228-E269 WeakPolarHBondContact CA-O 3.35Å; K229-E269 HydrophobicContact CB-CG 4.05Å; K229-E269 HydrophobicContact CD-CG 4.12Å; K229-E269 WeakPolarHBondContact CD-OE1 3.39Å; K229-E269 WeakPolarHBondContact CE-OE1 3.35Å; K229-E269 HydrophobicContact CG-CG 3.97Å; K229-E269 PolarHBondContact N-O 2.95Å; K229-E269 IonicContact NZ-OE1 2.67Å; K229-E269 PolarHBondContact NZ-OE1 2.88Å
270	G	85.3	Confident	90.4	Very high	30 Å²	30	22.8 Å²	22.8	31%	0.309	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	76.4	-168.6	-179.3	0	0	0	0	0	114.3	G212 H226	G212-G270 PolarHBondContact N-O 3.28Å; H226-G270 VanDerWaalsContact O-CA 3.27Å; H226-G270 WeakPolarHBondContact O-CA 3.38Å
271	T	92.1	Very high	90.1	Very high	58 Å²	58	24.7 Å²	24.7	36%	0.356	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	146.2	176.2	59.9	0	0	0	0	111	M210 R211 H226	M210-T271 WeakPolarHBondContact O-CA 3.38Å; R211-T271 HydrophobicContact CB-CG2 4.36Å; R211-T271 HydrophobicContact CG-CG2 4.11Å; H226-T271 PolarHBondContact N-O 3.45Å; H226-T271 PolarHBondContact O-N 3.11Å
272	A	93.2	Very high	89.9	Confident	4 Å²	4	31.2 Å²	31.2	3%	0.033	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	156.7	174.8	0	0	0	0	0	112.3	M210 I222 A224 F228	M210-A272 HydrophobicContact CE-CB 4.16Å; M210-A272 PolarHBondContact N-O 2.98Å; M210-A272 PolarHBondContact O-N 3.35Å; I222-A272 HydrophobicContact CG2-CB 4.44Å; A224-A272 CarbonylContact O-C 3.19Å; A224-A272 VanDerWaalsContact O-CA 3.26Å; A224-A272 WeakPolarHBondContact O-CA 3.11Å; A224-A272 WeakPolarHBondContact O-CB 3.15Å; F228-A272 HydrophobicContact CB-CB 3.89Å; F228-A272 HydrophobicContact CD1-CB 3.42Å; F228-A272 VanDerWaalsContact CD1-CB 3.42Å; F228-A272 HydrophobicContact CD2-CB 3.88Å; F228-A272 HydrophobicContact CE1-CB 3.8Å; F228-A272 HydrophobicContact CE2-CB 4.2Å; F228-A272 HydrophobicContact CG-CB 3.48Å; F228-A272 VanDerWaalsContact CG-CB 3.48Å; F228-A272 HydrophobicContact CZ-CB 4.18Å
273	R	93.4	Very high	89.8	Confident	99 Å²	99	31.1 Å²	31.1	37%	0.374	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	146.4	164.6	-70.2	-176.9	176.4	178.4	-1.8	109.6	V208 E209 I223 A224	V208-R273 VanDerWaalsContact O-CA 3.31Å; V208-R273 WeakPolarHBondContact O-CA 3.35Å; E209-R273 HydrophobicContact CB-CG 4.25Å; E209-R273 HydrophobicContact CG-CG 4.11Å; E209-R273 IonicContact OE2-CZ 3.73Å; E209-R273 VanDerWaalsContact OE2-CZ 3.27Å; E209-R273 IonicContact OE2-NE 3.27Å; E209-R273 PolarHBondContact OE2-NE 3.2Å; E209-R273 IonicContact OE2-NH2 2.64Å; E209-R273 PolarHBondContact OE2-NH2 2.89Å; I223-R273 HydrophobicContact CD1-CB 4.45Å; I223-R273 HydrophobicContact CG1-CB 4.07Å; I223-R273 WeakPolarHBondContact CG1-O 3.46Å; I223-R273 PolarHBondContact N-O 2.85Å; A224-R273 HydrophobicContact CB-CB 4.45Å; A224-R273 PolarHBondContact N-O 2.76Å; A224-R273 VanDerWaalsContact N-O 3.15Å; A224-R273 PolarHBondContact O-N 3.25Å
274	G	93.6	Very high	89.7	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	166.1	177.1	0	0	0	0	0	113.1	V207 V208 R221	V207-G274 CarbonylContact C-O 3.49Å; V207-G274 WeakPolarHBondContact CA-O 3.48Å; V208-G274 WeakPolarHBondContact CG2-O 3.38Å; V208-G274 PolarHBondContact N-O 3.01Å; V208-G274 PolarHBondContact O-N 3.33Å; V208-G274 VanDerWaalsContact O-N 3.08Å; R221-G274 CarbonylContact O-C 3.55Å; R221-G274 WeakPolarHBondContact O-CA 3.44Å
275	I	94.7	Very high	89.8	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	134.9	177.4	-70.2	174.3	0	0	0	109.5	L68 Y69 Y72 T74 D206 V207 V220 R221 I223 V277	L68-I275 HydrophobicContact CD2-CD1 4.27Å; Y69-I275 HydrophobicContact CD1-CD1 3.45Å; Y69-I275 VanDerWaalsContact CD1-CD1 3.45Å; Y69-I275 HydrophobicContact CE1-CD1 3.5Å; Y69-I275 VanDerWaalsContact CE1-CD1 3.5Å; Y72-I275 HydrophobicContact CD2-CG2 4.32Å; T74-I275 HydrophobicContact CG2-CD1 3.86Å; T74-I275 HydrophobicContact CG2-CG1 4.21Å; D206-I275 CarbonylContact O-C 3.59Å; D206-I275 WeakPolarHBondContact O-CA 3.42Å; V207-I275 HydrophobicContact CG2-CG1 3.98Å; V220-I275 CarbonylContact C-O 3.53Å; V220-I275 WeakPolarHBondContact CA-O 3.45Å; R221-I275 PolarHBondContact N-O 3.17Å; R221-I275 PolarHBondContact O-N 3.49Å; I223-I275 HydrophobicContact CG2-CD1 4.35Å; I223-I275 HydrophobicContact CG2-CG1 4.28Å; I275-V277 PolarHBondContact O-N 3.44Å
276	V	95.1	Very high	89.7	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	121.3	174.8	177.4	0	0	0	0	110.3	V202 V203 G205 D206 V208 A218 V220 T279	V202-V276 HydrophobicContact CG1-CG1 4.47Å; V202-V276 HydrophobicContact CG1-CG2 3.75Å; V203-V276 WeakPolarHBondContact O-CB 3.27Å; V203-V276 WeakPolarHBondContact O-CG1 3.34Å; G205-V276 PolarHBondContact N-O 3.07Å; D206-V276 HydrophobicContact CB-CG2 4.15Å; D206-V276 WeakPolarHBondContact O-CG2 3.49Å; D206-V276 PolarHBondContact O-N 3.32Å; V208-V276 HydrophobicContact CG1-CG2 3.78Å; V208-V276 HydrophobicContact CG2-CG2 4.25Å; A218-V276 HydrophobicContact CB-CG1 3.62Å; A218-V276 HydrophobicContact CB-CG2 4.18Å; V220-V276 HydrophobicContact CG2-CG2 4.28Å; V276-T279 HydrophobicContact CG1-CG2 3.6Å
277	V	93.3	Very high	89.6	Confident	4 Å²	4	30.7 Å²	30.7	2%	0.024	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-48.7	-179.4	171.8	0	0	0	0	111.4	E60 V204 D219 R221 I275	E60-V277 HydrophobicContact CB-CG1 4.13Å; E60-V277 HydrophobicContact CB-CG2 4.18Å; E60-V277 HydrophobicContact CG-CG1 3.75Å; E60-V277 HydrophobicContact CG-CG2 4.37Å; V204-V277 WeakPolarHBondContact CG1-O 3.46Å; D219-V277 PolarHBondContact O-N 2.95Å; R221-V277 HydrophobicContact CB-CG2 3.62Å; I275-V277 PolarHBondContact O-N 3.44Å
278	N	92.9	Very high	89.4	Confident	34 Å²	34	30.6 Å²	30.6	18%	0.182	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	145	178.7	-62.1	-52	0	0	0	110.7	A218 D219 H282 T283	A218-N278 WeakPolarHBondContact CB-O 3.41Å; D219-N278 HydrophobicContact CB-CB 4.14Å; D219-N278 PolarHBondContact N-O 2.92Å; D219-N278 VanDerWaalsContact N-O 3.12Å; N278-H282 HydrophobicContact CB-CB 4.34Å; N278-T283 HydrophobicContact CB-CG2 4.33Å; N278-T283 WeakPolarHBondContact O-CG2 3.22Å
279	T	92.7	Very high	89.2	Confident	10 Å²	10	27.1 Å²	27.1	6%	0.061	14%	0.139	C	C	.	.			trans	-123.5	158.4	177	52	0	0	0	0	111.8	N95 V204 A218 V276 D281 H282	N95-T279 HydrophobicContact CB-CG2 4.06Å; N95-T279 WeakPolarHBondContact OD1-CA 3.28Å; N95-T279 WeakPolarHBondContact OD1-CB 3.36Å; V204-T279 HydrophobicContact CG2-CG2 4.01Å; A218-T279 HydrophobicContact CB-CG2 4.47Å; V276-T279 HydrophobicContact CG1-CG2 3.6Å; T279-D281 PolarHBondContact O-N 3.15Å; T279-H282 WeakPolarHBondContact O-CB 3.48Å; T279-H282 PolarHBondContact O-N 3.48Å; T279-H282 VanDerWaalsContact O-N 3.11Å
280	G	88	Confident	89.1	Confident	4 Å²	4	26.4 Å²	26.4	4%	0.041	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	53.2	-133	173.4	0	0	0	0	0	113.9	N95 A96 H282 T283	N95-G280 PolarHBondContact OD1-N 3.18Å; A96-G280 WeakPolarHBondContact O-CA 3.14Å; G280-H282 PolarHBondContact O-N 3.14Å; G280-T283 WeakPolarHBondContact O-CB 3.23Å; G280-T283 PolarHBondContact O-N 3.38Å; G280-T283 VanDerWaalsContact O-N 3.17Å; G280-T283 PolarHBondContact O-OG1 3.5Å
281	D	86	Confident	89.1	Confident	44 Å²	44	25 Å²	25	24%	0.235	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-63.8	-18	-179.3	-61.1	-37.8	0	0	0	113.9	L97 T98 T279 G286 R287	L97-D281 WeakPolarHBondContact CA-OD1 3.35Å; T98-D281 WeakPolarHBondContact CB-OD2 3.13Å; T98-D281 PolarHBondContact N-OD1 3.15Å; T98-D281 PolarHBondContact N-OD2 2.98Å; T98-D281 PolarHBondContact OG1-OD2 3.19Å; T279-D281 PolarHBondContact O-N 3.15Å; D281-G286 CarbonylContact O-C 3.56Å; D281-R287 PolarHBondContact O-N 3.47Å
282	H	88.2	Confident	88.6	Confident	138 Å²	138	22.4 Å²	22.4	64%	0.639	11%	0.105	S	C	*	.	G	3₁₀ helix	trans	-80.1	-17.6	177.4	-65.3	-66.1	0	0	0	113.3	N278 T279 G280	N278-H282 HydrophobicContact CB-CB 4.34Å; T279-H282 WeakPolarHBondContact O-CB 3.48Å; T279-H282 PolarHBondContact O-N 3.48Å; T279-H282 VanDerWaalsContact O-N 3.11Å; G280-H282 PolarHBondContact O-N 3.14Å
283	T	89.3	Confident	88	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	-59.4	154	171.3	61.3	0	0	0	0	110.9	D219 F263 N278 G280 M285 G286 R287	D219-T283 HydrophobicContact CB-CG2 4.5Å; D219-T283 WeakPolarHBondContact OD2-CA 3.44Å; F263-T283 HydrophobicContact CB-CG2 3.82Å; F263-T283 HydrophobicContact CD1-CG2 4.2Å; F263-T283 WeakPolarHBondContact CD1-OG1 3.34Å; F263-T283 HydrophobicContact CG-CG2 4.12Å; N278-T283 HydrophobicContact CB-CG2 4.33Å; N278-T283 WeakPolarHBondContact O-CG2 3.22Å; G280-T283 WeakPolarHBondContact O-CB 3.23Å; G280-T283 PolarHBondContact O-N 3.38Å; G280-T283 VanDerWaalsContact O-N 3.17Å; G280-T283 PolarHBondContact O-OG1 3.5Å; T283-M285 PolarHBondContact O-N 3.28Å; T283-G286 WeakPolarHBondContact O-CA 3.4Å; T283-G286 PolarHBondContact O-N 3.45Å; T283-G286 VanDerWaalsContact O-N 3.08Å; T283-G286 WeakPolarHBondContact OG1-CA 3.49Å; T283-G286 PolarHBondContact OG1-N 2.8Å; T283-R287 PolarHBondContact O-N 3.41Å
284	L	86.6	Confident	87.2	Confident	11 Å²	11	20.2 Å²	20.2	6%	0.058	11%	0.109	C	C	.	.	H	α-helix	trans	-51.4	-46.4	173.5	171.3	68.5	0	0	0	111.5	V56 D219 L235 L255 F262 R287 I288	V56-L284 HydrophobicContact CG2-CD1 3.5Å; D219-L284 PolarHBondContact OD2-N 2.82Å; L235-L284 HydrophobicContact CD1-CD2 3.72Å; L235-L284 HydrophobicContact CD2-CD2 3.73Å; L235-L284 HydrophobicContact CD2-CG 4.05Å; L235-L284 HydrophobicContact CG-CD2 4.3Å; L255-L284 HydrophobicContact CD2-CD1 4.49Å; L255-L284 HydrophobicContact CD2-CD2 3.34Å; F262-L284 HydrophobicContact CD1-CB 4.32Å; F262-L284 HydrophobicContact CD1-CD2 3.74Å; F262-L284 HydrophobicContact CE1-CD2 3.93Å; F262-L284 HydrophobicContact CG-CD2 4.2Å; L284-R287 PolarHBondContact O-N 2.73Å; L284-I288 HydrophobicContact CD1-CD1 4.4Å; L284-I288 HydrophobicContact CG-CD1 4.3Å; L284-I288 WeakPolarHBondContact O-CG1 3.42Å; L284-I288 PolarHBondContact O-N 2.77Å; L284-I288 VanDerWaalsContact O-N 3.1Å
285	M	85.9	Confident	86.7	Confident	3 Å²	3	21.1 Å²	21.1	2%	0.015	11%	0.114	C	C	.	.	H	α-helix	trans	-70.6	-35.4	179.3	-174.9	62.3	-132.3	0	0	111.9	F178 L235 F263 S264 T283 I288 A289 V756	F178-M285 HydrophobicContact CD1-CE 3.99Å; F178-M285 HydrophobicContact CE1-CE 3.51Å; L235-M285 HydrophobicContact CD2-SD 4.18Å; F263-M285 HydrophobicContact CB-CB 4.32Å; F263-M285 HydrophobicContact CD1-CB 3.97Å; F263-M285 HydrophobicContact CD1-CG 4.33Å; S264-M285 WeakPolarHBondContact OG-CG 3.24Å; T283-M285 PolarHBondContact O-N 3.28Å; M285-I288 HydrophobicContact CE-CB 4.28Å; M285-I288 HydrophobicContact CE-CG2 4.1Å; M285-I288 PolarHBondContact O-N 2.89Å; M285-A289 WeakPolarHBondContact O-CB 3.34Å; M285-A289 PolarHBondContact O-N 3.41Å; M285-V756 HydrophobicContact CE-CG1 3.21Å; M285-V756 HydrophobicContact SD-CG1 3.62Å
286	G	86.1	Confident	85.8	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.9	-41.8	171.8	0	0	0	0	0	113	L97 D281 T283 I288 A289 H290	L97-G286 VanDerWaalsContact CD2-CA 3.43Å; D281-G286 CarbonylContact O-C 3.56Å; T283-G286 WeakPolarHBondContact O-CA 3.4Å; T283-G286 PolarHBondContact O-N 3.45Å; T283-G286 VanDerWaalsContact O-N 3.08Å; T283-G286 WeakPolarHBondContact OG1-CA 3.49Å; T283-G286 PolarHBondContact OG1-N 2.8Å; G286-I288 VanDerWaalsContact C-N 3.34Å; G286-I288 PolarHBondContact O-N 2.98Å; G286-A289 PolarHBondContact O-N 3.35Å; G286-H290 WeakPolarHBondContact O-CB 3.37Å; G286-H290 PolarHBondContact O-N 3.12Å
287	R	86.1	Confident	84.6	Confident	35 Å²	35	31.4 Å²	31.4	13%	0.132	17%	0.171	C	C	.	.	H	α-helix	trans	-60.5	-41.1	171.6	-72	179	59.2	161.7	-6	112.2	L52 K54 D281 T283 L284 H290 L291	L52-R287 HydrophobicContact CD2-CB 4.28Å; L52-R287 HydrophobicContact CD2-CG 4.08Å; K54-R287 PolarHBondContact O-NH2 3.32Å; D281-R287 PolarHBondContact O-N 3.47Å; T283-R287 PolarHBondContact O-N 3.41Å; L284-R287 PolarHBondContact O-N 2.73Å; R287-H290 PolarHBondContact O-N 2.99Å; R287-L291 VanDerWaalsContact O-CB 3.26Å; R287-L291 WeakPolarHBondContact O-CB 3.27Å; R287-L291 PolarHBondContact O-N 3.04Å
288	I	84.1	Confident	83.7	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-65.1	-45.2	175.6	-67.5	163.1	0	0	0	110.8	L235 L284 M285 G286 H290 L291 A292 P732 P760	L235-I288 HydrophobicContact CD2-CD1 3.83Å; L284-I288 HydrophobicContact CD1-CD1 4.4Å; L284-I288 HydrophobicContact CG-CD1 4.3Å; L284-I288 WeakPolarHBondContact O-CG1 3.42Å; L284-I288 PolarHBondContact O-N 2.77Å; L284-I288 VanDerWaalsContact O-N 3.1Å; M285-I288 HydrophobicContact CE-CB 4.28Å; M285-I288 HydrophobicContact CE-CG2 4.1Å; M285-I288 PolarHBondContact O-N 2.89Å; G286-I288 VanDerWaalsContact C-N 3.34Å; G286-I288 PolarHBondContact O-N 2.98Å; I288-H290 PolarHBondContact O-N 3.35Å; I288-L291 PolarHBondContact O-N 3.48Å; I288-A292 WeakPolarHBondContact O-CB 3.1Å; I288-A292 PolarHBondContact O-N 3.48Å; I288-P732 HydrophobicContact CD1-CB 4.24Å; I288-P732 HydrophobicContact CD1-CG 3.9Å; I288-P732 HydrophobicContact CG1-CB 4.37Å; I288-P760 HydrophobicContact CG2-CG 4.01Å
289	A	82.7	Confident	83.2	Confident	2 Å²	2	36.7 Å²	36.7	2%	0.017	21%	0.209	C	C	.	.	H	α-helix	trans	-63.8	-39.6	177	0	0	0	0	0	112.4	L97 F178 M285 G286 S293	L97-A289 HydrophobicContact CD1-CB 4.06Å; F178-A289 HydrophobicContact CD1-CB 3.54Å; F178-A289 HydrophobicContact CE1-CB 3.45Å; F178-A289 VanDerWaalsContact CE1-CB 3.45Å; F178-A289 HydrophobicContact CG-CB 4.18Å; F178-A289 HydrophobicContact CZ-CB 4.02Å; M285-A289 WeakPolarHBondContact O-CB 3.34Å; M285-A289 PolarHBondContact O-N 3.41Å; G286-A289 PolarHBondContact O-N 3.35Å; A289-S293 VanDerWaalsContact O-CB 3.32Å; A289-S293 WeakPolarHBondContact O-CB 3.49Å; A289-S293 PolarHBondContact O-N 2.89Å; A289-S293 PolarHBondContact O-OG 2.89Å
290	H	82.6	Confident	82.9	Confident	76 Å²	76	37 Å²	37	35%	0.352	21%	0.211	S	C	.	.	H	α-helix	trans	-69.7	-39.7	176.6	-168.4	38.5	0	0	0	111.8	L52 G286 R287 I288 S293 G294	L52-H290 WeakPolarHBondContact CD1-CD2 3.4Å; G286-H290 WeakPolarHBondContact O-CB 3.37Å; G286-H290 PolarHBondContact O-N 3.12Å; R287-H290 PolarHBondContact O-N 2.99Å; I288-H290 PolarHBondContact O-N 3.35Å; H290-S293 PolarHBondContact O-OG 2.93Å; H290-G294 WeakPolarHBondContact O-CA 3.42Å; H290-G294 PolarHBondContact O-N 3.4Å
291	L	84.4	Confident	83	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.7	-52.6	171.9	-178.8	62.4	0	0	0	111.2	L49 L52 K53 R287 I288 S293 G294 L295 Q733 L736 P760	L49-L291 HydrophobicContact CD2-CD1 4.5Å; L52-L291 HydrophobicContact CB-CD1 4.43Å; K53-L291 HydrophobicContact CG-CD1 3.94Å; R287-L291 VanDerWaalsContact O-CB 3.26Å; R287-L291 WeakPolarHBondContact O-CB 3.27Å; R287-L291 PolarHBondContact O-N 3.04Å; I288-L291 PolarHBondContact O-N 3.48Å; L291-S293 VanDerWaalsContact C-N 3.3Å; L291-S293 PolarHBondContact O-N 2.89Å; L291-G294 PolarHBondContact O-N 2.92Å; L291-L295 HydrophobicContact CD1-CD1 4.3Å; L291-L295 HydrophobicContact CD1-CG 4.28Å; L291-L295 HydrophobicContact CG-CD1 4.17Å; L291-L295 WeakPolarHBondContact O-CD1 3.24Å; L291-L295 WeakPolarHBondContact O-CG 3.41Å; L291-L295 PolarHBondContact O-N 2.91Å; L291-L295 VanDerWaalsContact O-N 3.09Å; L291-Q733 HydrophobicContact CD2-CG 4.2Å; L291-L736 HydrophobicContact CD1-CD2 4.01Å; L291-L736 HydrophobicContact CD2-CD2 3.84Å; L291-L736 HydrophobicContact CG-CD2 4.11Å; L291-P760 HydrophobicContact CD2-CB 4.18Å; L291-P760 HydrophobicContact CD2-CG 4.4Å; L291-P760 HydrophobicContact CG-CB 4.33Å
292	A	82.3	Confident	83.2	Confident	4 Å²	4	35 Å²	35	3%	0.033	20%	0.199	C	C	.	.	H	α-helix	trans	-60.3	-36.8	179.4	0	0	0	0	0	112.8	F178 I288 P760 K763	F178-A292 HydrophobicContact CZ-CB 4.46Å; I288-A292 WeakPolarHBondContact O-CB 3.1Å; I288-A292 PolarHBondContact O-N 3.48Å; A292-P760 HydrophobicContact CB-CG 4.44Å; A292-K763 WeakPolarHBondContact O-CG 3.43Å
293	S	79.3	Confident	83.1	Confident	32 Å²	32	29.4 Å²	29.4	22%	0.224	18%	0.177	C	C	.	.	H	α-helix	trans	-83.9	-21.2	178.1	59.9	0	0	0	0	114.8	A289 H290 L291	A289-S293 VanDerWaalsContact O-CB 3.32Å; A289-S293 WeakPolarHBondContact O-CB 3.49Å; A289-S293 PolarHBondContact O-N 2.89Å; A289-S293 PolarHBondContact O-OG 2.89Å; H290-S293 PolarHBondContact O-OG 2.93Å; L291-S293 VanDerWaalsContact C-N 3.3Å; L291-S293 PolarHBondContact O-N 2.89Å
294	G	77.3	Confident	83.1	Confident	25 Å²	25	34.5 Å²	34.5	26%	0.258	20%	0.196	S	C	.	.	H	α-helix	trans	-91.8	-8.9	178.3	0	0	0	0	0	115	H290 L291	H290-G294 WeakPolarHBondContact O-CA 3.42Å; H290-G294 PolarHBondContact O-N 3.4Å; L291-G294 PolarHBondContact O-N 2.92Å
295	L	82.5	Confident	83.3	Confident	20 Å²	20	34.1 Å²	34.1	11%	0.105	19%	0.194	C	C	.	.	S	Bend	trans	-74.7	123.6	176.2	-78.6	162.2	0	0	0	111.8	L291 T297 L736 P760 K764	L291-L295 HydrophobicContact CD1-CD1 4.3Å; L291-L295 HydrophobicContact CD1-CG 4.28Å; L291-L295 HydrophobicContact CG-CD1 4.17Å; L291-L295 WeakPolarHBondContact O-CD1 3.24Å; L291-L295 WeakPolarHBondContact O-CG 3.41Å; L291-L295 PolarHBondContact O-N 2.91Å; L291-L295 VanDerWaalsContact O-N 3.09Å; L295-T297 PolarHBondContact O-N 3.12Å; L295-L736 HydrophobicContact CD1-CD1 3.85Å; L295-L736 HydrophobicContact CD1-CD2 3.95Å; L295-L736 HydrophobicContact CD2-CD1 4.23Å; L295-L736 HydrophobicContact CD2-CD2 4.3Å; L295-P760 HydrophobicContact CD1-CB 4.13Å; L295-K764 HydrophobicContact CD1-CB 4.44Å; L295-K764 HydrophobicContact CD2-CD 4.39Å
296	D	75.7	Confident	83.3	Confident	138 Å²	138	35.5 Å²	35.5	74%	0.738	20%	0.201	S	C	*	.			trans	-66.8	126.1	169.2	-72.8	-40.8	0	0	0	110.4	G298	D296-G298 PolarHBondContact O-N 2.82Å; D296-G298 VanDerWaalsContact O-N 3.09Å
297	T	69.8	Low	83.4	Confident	77 Å²	77	39.2 Å²	39.2	47%	0.472	22%	0.218	S	C	.	.			trans	-68.3	-2.5	177.6	51.9	0	0	0	0	114.5	L295 K763	L295-T297 PolarHBondContact O-N 3.12Å; T297-K763 HydrophobicContact CG2-CD 3.84Å; T297-K763 VanDerWaalsContact CG2-NZ 3.26Å
298	G	75.1	Confident	83.5	Confident	53 Å²	53	40.8 Å²	40.8	55%	0.546	23%	0.227	S	C	.	.			trans	61.7	-163.4	-172.1	0	0	0	0	0	113.5	D296	D296-G298 PolarHBondContact O-N 2.82Å; D296-G298 VanDerWaalsContact O-N 3.09Å
299	Q	81.6	Confident	83.8	Confident	97 Å²	97	41 Å²	41	45%	0.453	23%	0.228	S	C	.	.			trans	-102.9	134.9	167.5	-67.8	175.1	-46.5	0	0	108.7	R304 E307	Q299-R304 HydrophobicContact CB-CG 3.76Å; Q299-R304 VanDerWaalsContact O-CZ 3.27Å; Q299-R304 PolarHBondContact O-NE 3.37Å; Q299-R304 PolarHBondContact O-NH2 2.9Å; Q299-E307 PolarHBondContact NE2-OE2 2.94Å
300	T	88.1	Confident	84	Confident	17 Å²	17	41.9 Å²	41.9	10%	0.104	23%	0.233	C	C	.	.			trans	-62.5	157.2	172.2	63.3	0	0	0	0	111.1	I302 A303 R304 E380	T300-I302 PolarHBondContact O-N 2.96Å; T300-I302 WeakPolarHBondContact OG1-CG2 3.46Å; T300-A303 PolarHBondContact O-N 3.03Å; T300-A303 WeakPolarHBondContact OG1-CB 3.35Å; T300-A303 PolarHBondContact OG1-N 3.4Å; T300-A303 VanDerWaalsContact OG1-N 3.13Å; T300-R304 WeakPolarHBondContact O-CG 3.42Å; T300-R304 PolarHBondContact O-N 2.88Å; T300-R304 VanDerWaalsContact O-N 3.09Å; T300-E380 WeakPolarHBondContact CB-OE2 2.95Å; T300-E380 HydrophobicContact CG2-CB 3.85Å; T300-E380 VanDerWaalsContact CG2-OE2 3.24Å; T300-E380 WeakPolarHBondContact CG2-OE2 3.16Å; T300-E380 PolarHBondContact OG1-OE2 3.2Å
301	P	89.4	Confident	84.3	Confident	5 Å²	5	43.8 Å²	43.8	3%	0.032	24%	0.241	C	C	.	.	H	α-helix	trans	-55.3	-47.2	174.9	-27	36.5	0	0	0	112.5	A303 R304 E305 T384 I748	P301-A303 PolarHBondContact O-N 3.41Å; P301-R304 PolarHBondContact O-N 3.44Å; P301-E305 WeakPolarHBondContact O-CG 3.37Å; P301-E305 PolarHBondContact O-N 3.16Å; P301-T384 WeakPolarHBondContact CD-OG1 3.31Å; P301-T384 HydrophobicContact CG-CG2 3.95Å; P301-I748 HydrophobicContact CG-CD1 3.93Å; P301-I748 HydrophobicContact CG-CG1 4.25Å; P301-I748 HydrophobicContact CG-CG2 3.96Å
302	I	89.6	Confident	84.5	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.9	-38.8	176.7	-171.1	59.4	0	0	0	113.2	T300 R304 E305 I306 E380 E383 L809 L881	T300-I302 PolarHBondContact O-N 2.96Å; T300-I302 WeakPolarHBondContact OG1-CG2 3.46Å; I302-R304 PolarHBondContact O-N 3.2Å; I302-E305 PolarHBondContact O-N 3.25Å; I302-I306 HydrophobicContact CD1-CD1 4.4Å; I302-I306 HydrophobicContact CD1-CG1 4.41Å; I302-I306 HydrophobicContact CG1-CD1 3.97Å; I302-I306 HydrophobicContact CG1-CG1 4.43Å; I302-I306 WeakPolarHBondContact O-CG1 3.38Å; I302-I306 PolarHBondContact O-N 3.18Å; I302-E380 HydrophobicContact CG2-CB 3.54Å; I302-E380 HydrophobicContact CG2-CG 3.83Å; I302-E383 HydrophobicContact CB-CB 4.13Å; I302-E383 HydrophobicContact CB-CG 4.14Å; I302-E383 WeakPolarHBondContact CB-OE2 3.5Å; I302-E383 HydrophobicContact CD1-CG 4.35Å; I302-E383 HydrophobicContact CG2-CB 4.47Å; I302-E383 PolarHBondContact N-OE2 2.71Å; I302-L809 HydrophobicContact CD1-CD1 4.12Å; I302-L881 HydrophobicContact CD1-CD2 3.91Å
303	A	86.9	Confident	84.8	Confident	20 Å²	20	45.9 Å²	45.9	17%	0.165	25%	0.251	C	S	.	.	H	α-helix	trans	-63.7	-40.2	175.3	0	0	0	0	0	112.1	T300 P301 E305 I306 E307	T300-A303 PolarHBondContact O-N 3.03Å; T300-A303 WeakPolarHBondContact OG1-CB 3.35Å; T300-A303 PolarHBondContact OG1-N 3.4Å; T300-A303 VanDerWaalsContact OG1-N 3.13Å; P301-A303 PolarHBondContact O-N 3.41Å; A303-E305 VanDerWaalsContact C-N 3.33Å; A303-E305 PolarHBondContact O-N 2.77Å; A303-I306 PolarHBondContact O-N 3.43Å; A303-E307 WeakPolarHBondContact O-CB 3.4Å; A303-E307 PolarHBondContact O-N 3.5Å
304	R	89.2	Confident	85.2	Confident	107 Å²	107	46 Å²	46	40%	0.404	25%	0.251	S	S	.	.	H	α-helix	trans	-64.8	-36.4	174.4	-62.7	179.6	-148.6	171.1	12.1	112	Q299 T300 P301 I302 H308 D766	Q299-R304 HydrophobicContact CB-CG 3.76Å; Q299-R304 VanDerWaalsContact O-CZ 3.27Å; Q299-R304 PolarHBondContact O-NE 3.37Å; Q299-R304 PolarHBondContact O-NH2 2.9Å; T300-R304 WeakPolarHBondContact O-CG 3.42Å; T300-R304 PolarHBondContact O-N 2.88Å; T300-R304 VanDerWaalsContact O-N 3.09Å; P301-R304 PolarHBondContact O-N 3.44Å; I302-R304 PolarHBondContact O-N 3.2Å; R304-H308 WeakPolarHBondContact O-CB 3.36Å; R304-H308 PolarHBondContact O-N 3.43Å; R304-D766 IonicContact NH2-OD1 2.65Å; R304-D766 PolarHBondContact NH2-OD1 3.17Å
305	E	90.1	Very high	85.8	Confident	3 Å²	3	46.9 Å²	46.9	1%	0.014	26%	0.26	C	S	.	.	H	α-helix	trans	-68.4	-41.5	174.7	-67.3	-57.6	146	0	0	112.2	P301 I302 A303 H308 F309 R874 K880 L881	P301-E305 WeakPolarHBondContact O-CG 3.37Å; P301-E305 PolarHBondContact O-N 3.16Å; I302-E305 PolarHBondContact O-N 3.25Å; A303-E305 VanDerWaalsContact C-N 3.33Å; A303-E305 PolarHBondContact O-N 2.77Å; E305-H308 PolarHBondContact O-N 2.93Å; E305-F309 WeakPolarHBondContact O-CB 3.44Å; E305-F309 PolarHBondContact O-N 3.11Å; E305-R874 IonicContact OE1-CZ 2.69Å; E305-R874 IonicContact OE1-NH1 3.15Å; E305-R874 PolarHBondContact OE1-NH1 3.44Å; E305-K880 WeakPolarHBondContact OE1-CD 3.47Å; E305-K880 IonicContact OE1-NZ 2.7Å; E305-K880 PolarHBondContact OE1-NZ 2.7Å; E305-K880 VanDerWaalsContact OE1-NZ 3.1Å; E305-K880 VanDerWaalsContact OE2-CA 3.3Å; E305-K880 WeakPolarHBondContact OE2-CA 3.38Å; E305-K880 VanDerWaalsContact OE2-CD 3.28Å; E305-K880 WeakPolarHBondContact OE2-CD 3.47Å; E305-L881 HydrophobicContact CB-CB 3.75Å; E305-L881 HydrophobicContact CB-CD2 4.1Å; E305-L881 HydrophobicContact CG-CB 4.06Å; E305-L881 PolarHBondContact OE2-N 3.04Å
306	I	87.4	Confident	86.1	Confident	32 Å²	32	47.9 Å²	47.9	16%	0.164	27%	0.266	C	S	.	.	H	α-helix	trans	-64.4	-43.3	175.1	-69.6	167.3	0	0	0	110.6	I302 A303 F309 I310 L355 V358	I302-I306 HydrophobicContact CD1-CD1 4.4Å; I302-I306 HydrophobicContact CD1-CG1 4.41Å; I302-I306 HydrophobicContact CG1-CD1 3.97Å; I302-I306 HydrophobicContact CG1-CG1 4.43Å; I302-I306 WeakPolarHBondContact O-CG1 3.38Å; I302-I306 PolarHBondContact O-N 3.18Å; A303-I306 PolarHBondContact O-N 3.43Å; I306-F309 WeakPolarHBondContact O-CB 3.47Å; I306-F309 PolarHBondContact O-N 3.41Å; I306-I310 HydrophobicContact CG2-CD1 3.66Å; I306-I310 HydrophobicContact CG2-CG1 4.35Å; I306-I310 WeakPolarHBondContact O-CB 3.34Å; I306-I310 WeakPolarHBondContact O-CD1 3.29Å; I306-I310 VanDerWaalsContact O-CG1 3.22Å; I306-I310 WeakPolarHBondContact O-CG1 3.49Å; I306-I310 PolarHBondContact O-N 3.16Å; I306-L355 HydrophobicContact CG2-CD2 4.35Å; I306-V358 HydrophobicContact CD1-CG1 4.13Å
307	E	87.4	Confident	86.7	Confident	78 Å²	78	41.3 Å²	41.3	36%	0.364	23%	0.231	S	C	.	.	H	α-helix	trans	-63	-43.5	175.6	-175.6	178.4	167	0	0	112	Q299 A303 F309 I310 H311	Q299-E307 PolarHBondContact NE2-OE2 2.94Å; A303-E307 WeakPolarHBondContact O-CB 3.4Å; A303-E307 PolarHBondContact O-N 3.5Å; E307-F309 PolarHBondContact O-N 3.38Å; E307-I310 PolarHBondContact O-N 3.32Å; E307-H311 PolarHBondContact O-N 2.85Å; E307-H311 PolarHBondContact O-ND1 2.85Å; E307-H311 IonicContact OE1-CE1 2.85Å; E307-H311 PolarHBondContact OE1-CE1 3.23Å
308	H	88.8	Confident	87.5	Confident	69 Å²	69	40.4 Å²	40.4	32%	0.319	23%	0.225	S	C	.	.	H	α-helix	trans	-59.4	-45.8	174.7	179.5	54.9	0	0	0	111.9	R304 E305 H311 I312	R304-H308 WeakPolarHBondContact O-CB 3.36Å; R304-H308 PolarHBondContact O-N 3.43Å; E305-H308 PolarHBondContact O-N 2.93Å; H308-H311 PolarHBondContact O-N 2.97Å; H308-I312 WeakPolarHBondContact O-CG1 3.49Å; H308-I312 PolarHBondContact O-N 3.34Å; H308-I312 VanDerWaalsContact O-N 3.12Å
309	F	88.7	Confident	88.3	Confident	5 Å²	5	44.3 Å²	44.3	2%	0.022	23%	0.228	C	C	.	.	H	α-helix	trans	-60.1	-49.4	175.2	163.8	-117.9	0	0	0	112.5	F117 E305 I306 E307 H311 I312 I313 P351 L354 I813 L817 V882	F117-F309 HydrophobicContact CE2-CD1 4.35Å; F117-F309 AromaticContact CE2-CE1 3.72Å; F117-F309 HydrophobicContact CE2-CE1 3.72Å; F117-F309 HydrophobicContact CE2-CZ 4.32Å; F117-F309 HydrophobicContact CZ-CD1 4.46Å; F117-F309 AromaticContact CZ-CE1 3.88Å; F117-F309 HydrophobicContact CZ-CE1 3.88Å; F117-F309 HydrophobicContact CZ-CZ 4.12Å; E305-F309 WeakPolarHBondContact O-CB 3.44Å; E305-F309 PolarHBondContact O-N 3.11Å; I306-F309 WeakPolarHBondContact O-CB 3.47Å; I306-F309 PolarHBondContact O-N 3.41Å; E307-F309 PolarHBondContact O-N 3.38Å; F309-H311 VanDerWaalsContact C-N 3.28Å; F309-H311 PolarHBondContact O-N 3.41Å; F309-I312 PolarHBondContact O-N 2.79Å; F309-I312 VanDerWaalsContact O-N 3.12Å; F309-I313 HydrophobicContact CD2-CD1 4.47Å; F309-I313 HydrophobicContact CD2-CG1 3.77Å; F309-I313 HydrophobicContact CE2-CD1 3.81Å; F309-I313 HydrophobicContact CE2-CG1 3.2Å; F309-I313 HydrophobicContact CZ-CG1 3.75Å; F309-I313 PolarHBondContact O-N 2.7Å; F309-P351 HydrophobicContact CZ-CG 4.45Å; F309-L354 HydrophobicContact CE1-CD2 3.51Å; F309-L354 HydrophobicContact CE2-CD2 4.46Å; F309-L354 HydrophobicContact CZ-CD2 3.35Å; F309-I813 HydrophobicContact CE2-CG2 4.36Å; F309-L817 HydrophobicContact CE2-CD1 3.89Å; F309-L817 HydrophobicContact CE2-CD2 4.14Å; F309-L817 HydrophobicContact CE2-CG 4.5Å; F309-L817 HydrophobicContact CZ-CD2 4.24Å; F309-V882 HydrophobicContact CB-CB 4.36Å; F309-V882 HydrophobicContact CB-CG2 4.17Å; F309-V882 HydrophobicContact CD2-CB 3.95Å; F309-V882 HydrophobicContact CD2-CG1 4.08Å; F309-V882 HydrophobicContact CD2-CG2 3.52Å; F309-V882 HydrophobicContact CE2-CG2 4.15Å; F309-V882 HydrophobicContact CG-CG2 3.99Å
310	I	87.6	Confident	88.7	Confident	22 Å²	22	41.5 Å²	41.5	11%	0.113	22%	0.216	C	C	.	.	H	α-helix	trans	-56.4	-43.8	177.2	-71.7	163.4	0	0	0	110.6	F117 I306 E307 I312 T314	F117-I310 HydrophobicContact CD1-CG2 4.29Å; F117-I310 HydrophobicContact CD2-CD1 4.47Å; F117-I310 HydrophobicContact CD2-CG1 3.85Å; F117-I310 HydrophobicContact CE1-CB 4.48Å; F117-I310 HydrophobicContact CE1-CG1 4.36Å; F117-I310 HydrophobicContact CE1-CG2 4.28Å; F117-I310 HydrophobicContact CE2-CB 4.49Å; F117-I310 HydrophobicContact CE2-CG1 3.57Å; F117-I310 HydrophobicContact CG-CG1 4.36Å; F117-I310 HydrophobicContact CZ-CB 4.3Å; F117-I310 HydrophobicContact CZ-CG1 3.85Å; I306-I310 HydrophobicContact CG2-CD1 3.66Å; I306-I310 HydrophobicContact CG2-CG1 4.35Å; I306-I310 WeakPolarHBondContact O-CB 3.34Å; I306-I310 WeakPolarHBondContact O-CD1 3.29Å; I306-I310 VanDerWaalsContact O-CG1 3.22Å; I306-I310 WeakPolarHBondContact O-CG1 3.49Å; I306-I310 PolarHBondContact O-N 3.16Å; E307-I310 PolarHBondContact O-N 3.32Å; I310-I312 PolarHBondContact O-N 2.73Å; I310-T314 WeakPolarHBondContact O-CB 3.33Å; I310-T314 PolarHBondContact O-N 3.27Å; I310-T314 PolarHBondContact O-OG1 3.33Å
311	H	88.6	Confident	88.7	Confident	115 Å²	115	40.7 Å²	40.7	53%	0.532	21%	0.211	S	C	.	.	H	α-helix	trans	-63.9	-38.4	178	-73	142.5	0	0	0	113.1	E307 H308 F309 G315	E307-H311 PolarHBondContact O-N 2.85Å; E307-H311 PolarHBondContact O-ND1 2.85Å; E307-H311 IonicContact OE1-CE1 2.85Å; E307-H311 PolarHBondContact OE1-CE1 3.23Å; H308-H311 PolarHBondContact O-N 2.97Å; F309-H311 VanDerWaalsContact C-N 3.28Å; F309-H311 PolarHBondContact O-N 3.41Å; H311-G315 PolarHBondContact O-N 2.89Å
312	I	89.7	Confident	88.7	Confident	47 Å²	47	44.8 Å²	44.8	24%	0.241	23%	0.232	C	C	.	.	H	α-helix	trans	-65.5	-52.5	176.3	-65.4	163.4	0	0	0	110.6	H308 F309 I310 T314 G315 V316 I887	H308-I312 WeakPolarHBondContact O-CG1 3.49Å; H308-I312 PolarHBondContact O-N 3.34Å; H308-I312 VanDerWaalsContact O-N 3.12Å; F309-I312 PolarHBondContact O-N 2.79Å; F309-I312 VanDerWaalsContact O-N 3.12Å; I310-I312 PolarHBondContact O-N 2.73Å; I312-T314 PolarHBondContact O-N 2.95Å; I312-G315 WeakPolarHBondContact O-CA 3.28Å; I312-G315 PolarHBondContact O-N 2.85Å; I312-G315 VanDerWaalsContact O-N 3.11Å; I312-V316 WeakPolarHBondContact O-CG2 3.5Å; I312-V316 PolarHBondContact O-N 2.9Å; I312-I887 HydrophobicContact CG2-CD1 3.52Å
313	I	89	Confident	88.7	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-63.9	-41.9	-178.8	-61.7	-55.1	0	0	0	111.3	F117 F309 G315 V316 A317 N349 L817	F117-I313 HydrophobicContact CE1-CB 3.88Å; F117-I313 HydrophobicContact CE1-CG2 3.74Å; F117-I313 HydrophobicContact CZ-CB 3.92Å; F117-I313 HydrophobicContact CZ-CG1 4.34Å; F117-I313 HydrophobicContact CZ-CG2 4.01Å; F309-I313 HydrophobicContact CD2-CD1 4.47Å; F309-I313 HydrophobicContact CD2-CG1 3.77Å; F309-I313 HydrophobicContact CE2-CD1 3.81Å; F309-I313 HydrophobicContact CE2-CG1 3.2Å; F309-I313 HydrophobicContact CZ-CG1 3.75Å; F309-I313 PolarHBondContact O-N 2.7Å; I313-G315 VanDerWaalsContact C-N 3.29Å; I313-G315 PolarHBondContact O-N 3.37Å; I313-V316 PolarHBondContact O-N 2.86Å; I313-A317 VanDerWaalsContact O-CB 3.3Å; I313-A317 WeakPolarHBondContact O-CB 3.5Å; I313-A317 PolarHBondContact O-N 3.32Å; I313-N349 WeakPolarHBondContact CG2-O 3.22Å; I313-L817 HydrophobicContact CD1-CD2 3.93Å; I313-L817 HydrophobicContact CG1-CD2 4.49Å
314	T	87.4	Confident	88.7	Confident	36 Å²	36	47.8 Å²	47.8	22%	0.221	25%	0.246	C	C	.	.	H	α-helix	trans	-58.4	-42.2	173	-59.6	0	0	0	0	111.4	L120 I310 I312 A317 V318	L120-T314 HydrophobicContact CD1-CG2 3.95Å; L120-T314 HydrophobicContact CD2-CG2 4.27Å; L120-T314 HydrophobicContact CG-CG2 4.49Å; I310-T314 WeakPolarHBondContact O-CB 3.33Å; I310-T314 PolarHBondContact O-N 3.27Å; I310-T314 PolarHBondContact O-OG1 3.33Å; I312-T314 PolarHBondContact O-N 2.95Å; T314-A317 PolarHBondContact O-N 3.09Å; T314-V318 HydrophobicContact CG2-CG2 4.31Å; T314-V318 WeakPolarHBondContact O-CB 3.46Å; T314-V318 VanDerWaalsContact O-CG2 3.3Å; T314-V318 WeakPolarHBondContact O-CG2 3.29Å; T314-V318 PolarHBondContact O-N 3.44Å
315	G	89.2	Confident	88.7	Confident	42 Å²	42	45 Å²	45	43%	0.433	24%	0.237	S	C	.	.	H	α-helix	trans	-60.5	-45.8	176	0	0	0	0	0	112.6	H311 I312 I313 F319	H311-G315 PolarHBondContact O-N 2.89Å; I312-G315 WeakPolarHBondContact O-CA 3.28Å; I312-G315 PolarHBondContact O-N 2.85Å; I312-G315 VanDerWaalsContact O-N 3.11Å; I313-G315 VanDerWaalsContact C-N 3.29Å; I313-G315 PolarHBondContact O-N 3.37Å; G315-F319 WeakPolarHBondContact O-CB 3.49Å; G315-F319 PolarHBondContact O-N 3.17Å
316	V	88.7	Confident	88.7	Confident	41 Å²	41	49.7 Å²	49.7	25%	0.248	26%	0.261	C	S	.	.	H	α-helix	trans	-66.2	-46.6	176.7	177.1	0	0	0	0	111.4	I312 I313 V318 F319 L320 Y891	I312-V316 WeakPolarHBondContact O-CG2 3.5Å; I312-V316 PolarHBondContact O-N 2.9Å; I313-V316 PolarHBondContact O-N 2.86Å; V316-V318 PolarHBondContact O-N 2.69Å; V316-F319 PolarHBondContact O-N 3.5Å; V316-L320 HydrophobicContact CG1-CD1 3.83Å; V316-L320 HydrophobicContact CG1-CG 4.25Å; V316-L320 WeakPolarHBondContact O-CB 3.17Å; V316-L320 WeakPolarHBondContact O-CG 3.4Å; V316-L320 PolarHBondContact O-N 3.5Å; V316-Y891 HydrophobicContact CG1-CE2 4.24Å
317	A	87.8	Confident	88.7	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-58.2	-47.8	179.1	0	0	0	0	0	112.2	I313 T314 G321 N349	I313-A317 VanDerWaalsContact O-CB 3.3Å; I313-A317 WeakPolarHBondContact O-CB 3.5Å; I313-A317 PolarHBondContact O-N 3.32Å; T314-A317 PolarHBondContact O-N 3.09Å; A317-G321 PolarHBondContact O-N 3.37Å; A317-N349 HydrophobicContact CB-CB 3.49Å; A317-N349 VanDerWaalsContact CB-CB 3.49Å
318	V	88.2	Confident	88.7	Confident	58 Å²	58	46.7 Å²	46.7	35%	0.352	25%	0.247	S	C	.	.	H	α-helix	trans	-70.5	-38.8	178.6	173.3	0	0	0	0	111.2	T314 V316 L322	T314-V318 HydrophobicContact CG2-CG2 4.31Å; T314-V318 WeakPolarHBondContact O-CB 3.46Å; T314-V318 VanDerWaalsContact O-CG2 3.3Å; T314-V318 WeakPolarHBondContact O-CG2 3.29Å; T314-V318 PolarHBondContact O-N 3.44Å; V316-V318 PolarHBondContact O-N 2.69Å; V318-L322 HydrophobicContact CG1-CD1 3.75Å; V318-L322 HydrophobicContact CG1-CG 4.23Å; V318-L322 WeakPolarHBondContact O-CB 3.35Å; V318-L322 VanDerWaalsContact O-CG 3.27Å; V318-L322 WeakPolarHBondContact O-CG 3.43Å; V318-L322 PolarHBondContact O-N 2.81Å
319	F	91.4	Very high	88.7	Confident	136 Å²	136	48 Å²	48	60%	0.596	25%	0.252	S	S	*	.	H	α-helix	trans	-62	-52.6	176.4	173.7	-103.2	0	0	0	111.8	G315 V316 L322 V323	G315-F319 WeakPolarHBondContact O-CB 3.49Å; G315-F319 PolarHBondContact O-N 3.17Å; V316-F319 PolarHBondContact O-N 3.5Å; F319-L322 PolarHBondContact O-N 3.37Å; F319-V323 HydrophobicContact CD2-CG2 4.25Å; F319-V323 HydrophobicContact CE1-CG2 4.36Å; F319-V323 HydrophobicContact CE2-CG2 3.89Å; F319-V323 HydrophobicContact CZ-CG2 3.95Å; F319-V323 WeakPolarHBondContact O-CB 3.46Å; F319-V323 VanDerWaalsContact O-CG2 3.27Å; F319-V323 WeakPolarHBondContact O-CG2 3.41Å; F319-V323 PolarHBondContact O-N 3.36Å
320	L	89.3	Confident	88.7	Confident	38 Å²	38	54.1 Å²	54.1	20%	0.199	28%	0.283	C	S	.	.	H	α-helix	trans	-61.3	-49.5	176.6	-67.3	177.5	0	0	0	110.3	V316 L322 V323 F324 I345	V316-L320 HydrophobicContact CG1-CD1 3.83Å; V316-L320 HydrophobicContact CG1-CG 4.25Å; V316-L320 WeakPolarHBondContact O-CB 3.17Å; V316-L320 WeakPolarHBondContact O-CG 3.4Å; V316-L320 PolarHBondContact O-N 3.5Å; L320-L322 VanDerWaalsContact C-N 3.35Å; L320-L322 PolarHBondContact O-N 3.4Å; L320-V323 PolarHBondContact O-N 3.45Å; L320-F324 HydrophobicContact CD2-CE2 4.32Å; L320-F324 WeakPolarHBondContact O-CB 3.45Å; L320-F324 VanDerWaalsContact O-CD2 3.3Å; L320-F324 WeakPolarHBondContact O-CD2 3.46Å; L320-F324 PolarHBondContact O-N 3.44Å; L320-I345 HydrophobicContact CB-CG2 4.03Å
321	G	87.7	Confident	88.7	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-50.7	-51.2	177.2	0	0	0	0	0	112.8	A317 F325 L342	A317-G321 PolarHBondContact O-N 3.37Å; G321-F325 WeakPolarHBondContact O-CB 3.41Å; G321-F325 PolarHBondContact O-N 3.34Å; G321-L342 WeakPolarHBondContact O-CD1 3.48Å
322	L	89.8	Confident	88.6	Confident	90 Å²	90	54.2 Å²	54.2	47%	0.471	30%	0.303	S	S	.	.	H	α-helix	trans	-67.9	-41.3	-180	-71.6	174	0	0	0	113.4	V318 F319 L320 F325 I326	V318-L322 HydrophobicContact CG1-CD1 3.75Å; V318-L322 HydrophobicContact CG1-CG 4.23Å; V318-L322 WeakPolarHBondContact O-CB 3.35Å; V318-L322 VanDerWaalsContact O-CG 3.27Å; V318-L322 WeakPolarHBondContact O-CG 3.43Å; V318-L322 PolarHBondContact O-N 2.81Å; F319-L322 PolarHBondContact O-N 3.37Å; L320-L322 VanDerWaalsContact C-N 3.35Å; L320-L322 PolarHBondContact O-N 3.4Å; L322-F325 PolarHBondContact O-N 3.09Å; L322-I326 VanDerWaalsContact O-CG1 3.3Å; L322-I326 WeakPolarHBondContact O-CG1 3.46Å; L322-I326 PolarHBondContact O-N 3.43Å
323	V	90.7	Very high	88.3	Confident	62 Å²	62	53.3 Å²	53.3	38%	0.376	30%	0.296	S	S	.	.	H	α-helix	trans	-60.9	-47.4	177.6	167.1	0	0	0	0	110.5	F319 L320 I326 M327	F319-V323 HydrophobicContact CD2-CG2 4.25Å; F319-V323 HydrophobicContact CE1-CG2 4.36Å; F319-V323 HydrophobicContact CE2-CG2 3.89Å; F319-V323 HydrophobicContact CZ-CG2 3.95Å; F319-V323 WeakPolarHBondContact O-CB 3.46Å; F319-V323 VanDerWaalsContact O-CG2 3.27Å; F319-V323 WeakPolarHBondContact O-CG2 3.41Å; F319-V323 PolarHBondContact O-N 3.36Å; L320-V323 PolarHBondContact O-N 3.45Å; V323-I326 PolarHBondContact O-N 2.88Å; V323-M327 WeakPolarHBondContact O-CB 3.44Å; V323-M327 PolarHBondContact O-N 3.08Å
324	F	87.1	Confident	88	Confident	21 Å²	21	59.5 Å²	59.5	9%	0.092	33%	0.326	C	S	.	.	H	α-helix	trans	-72.6	-31.3	179.2	-79.3	-86.5	0	0	0	112.6	L320 M327 A328 I345 L828 M831 L832	L320-F324 HydrophobicContact CD2-CE2 4.32Å; L320-F324 WeakPolarHBondContact O-CB 3.45Å; L320-F324 VanDerWaalsContact O-CD2 3.3Å; L320-F324 WeakPolarHBondContact O-CD2 3.46Å; L320-F324 PolarHBondContact O-N 3.44Å; F324-M327 HydrophobicContact CD1-CE 3.23Å; F324-M327 HydrophobicContact CE1-CE 3.2Å; F324-M327 HydrophobicContact CG-CE 4.1Å; F324-M327 HydrophobicContact CZ-CE 4.03Å; F324-M327 PolarHBondContact O-N 3.06Å; F324-A328 WeakPolarHBondContact O-CB 3.3Å; F324-A328 PolarHBondContact O-N 3.13Å; F324-I345 HydrophobicContact CB-CD1 3.38Å; F324-I345 HydrophobicContact CD1-CD1 4.35Å; F324-I345 HydrophobicContact CD2-CD1 4.3Å; F324-I345 HydrophobicContact CG-CD1 3.76Å; F324-L828 HydrophobicContact CD1-CD2 3.86Å; F324-L828 HydrophobicContact CD2-CD2 3.85Å; F324-L828 HydrophobicContact CE1-CB 3.9Å; F324-L828 HydrophobicContact CE1-CD1 4.36Å; F324-L828 HydrophobicContact CE1-CD2 3.69Å; F324-L828 HydrophobicContact CE1-CG 4.15Å; F324-L828 HydrophobicContact CE2-CD1 3.98Å; F324-L828 HydrophobicContact CE2-CD2 3.7Å; F324-L828 HydrophobicContact CE2-CG 4.36Å; F324-L828 HydrophobicContact CG-CD2 3.97Å; F324-L828 HydrophobicContact CZ-CB 4.06Å; F324-L828 HydrophobicContact CZ-CD1 3.69Å; F324-L828 HydrophobicContact CZ-CD2 3.63Å; F324-L828 HydrophobicContact CZ-CG 3.96Å; F324-M831 HydrophobicContact CB-CE 3.82Å; F324-M831 HydrophobicContact CB-SD 4.21Å; F324-M831 HydrophobicContact CD1-CE 4.1Å; F324-M831 HydrophobicContact CD1-SD 3.89Å; F324-M831 HydrophobicContact CG-CE 4.44Å; F324-M831 VanDerWaalsContact O-SD 3.38Å; F324-L832 HydrophobicContact CE1-CD1 3.99Å; F324-L832 HydrophobicContact CE1-CG 4.27Å
325	F	88.3	Confident	87.7	Confident	49 Å²	49	65 Å²	65	22%	0.215	34%	0.342	C	S	.	.	H	α-helix	trans	-62.9	-46	171.3	-178.5	-111.7	0	0	0	112.6	G321 L322 M327 A328 F329 A338 V339 L342	G321-F325 WeakPolarHBondContact O-CB 3.41Å; G321-F325 PolarHBondContact O-N 3.34Å; L322-F325 PolarHBondContact O-N 3.09Å; F325-M327 VanDerWaalsContact C-N 3.33Å; F325-M327 PolarHBondContact O-N 3.43Å; F325-A328 PolarHBondContact O-N 3.45Å; F325-F329 HydrophobicContact CD1-CE2 4.21Å; F325-F329 HydrophobicContact CD2-CE2 4.35Å; F325-F329 HydrophobicContact CE1-CD2 4.49Å; F325-F329 AromaticContact CE1-CE2 3.71Å; F325-F329 HydrophobicContact CE1-CE2 3.71Å; F325-F329 AromaticContact CE2-CE2 3.85Å; F325-F329 HydrophobicContact CE2-CE2 3.85Å; F325-F329 HydrophobicContact CE2-CZ 4.4Å; F325-F329 AromaticContact CZ-CE2 3.53Å; F325-F329 HydrophobicContact CZ-CE2 3.53Å; F325-F329 HydrophobicContact CZ-CZ 4.13Å; F325-F329 WeakPolarHBondContact O-CD2 3.2Å; F325-F329 PolarHBondContact O-N 3.42Å; F325-A338 HydrophobicContact CD2-CB 3.83Å; F325-A338 WeakPolarHBondContact CD2-O 3.34Å; F325-A338 HydrophobicContact CE2-CB 3.84Å; F325-V339 HydrophobicContact CE2-CG2 3.86Å; F325-V339 HydrophobicContact CZ-CG2 4.42Å; F325-L342 HydrophobicContact CB-CB 4.45Å; F325-L342 HydrophobicContact CB-CD1 4.37Å; F325-L342 HydrophobicContact CD2-CB 4.02Å; F325-L342 HydrophobicContact CD2-CD2 4.02Å; F325-L342 HydrophobicContact CE2-CD2 4.3Å; F325-L342 HydrophobicContact CG-CD2 4.29Å
326	I	90.3	Very high	87.2	Confident	101 Å²	101	64.8 Å²	64.8	52%	0.518	33%	0.331	S	S	.	.	H	α-helix	trans	-62.6	-43.1	174.4	-67.9	165.2	0	0	0	110.3	L322 V323 A328 F329 I330	L322-I326 VanDerWaalsContact O-CG1 3.3Å; L322-I326 WeakPolarHBondContact O-CG1 3.46Å; L322-I326 PolarHBondContact O-N 3.43Å; V323-I326 PolarHBondContact O-N 2.88Å; I326-A328 VanDerWaalsContact C-N 3.34Å; I326-A328 PolarHBondContact O-N 3.4Å; I326-F329 PolarHBondContact O-N 2.8Å; I326-I330 HydrophobicContact CG2-CD1 3.98Å; I326-I330 WeakPolarHBondContact O-CG1 3.41Å; I326-I330 PolarHBondContact O-N 2.89Å; I326-I330 VanDerWaalsContact O-N 3.15Å
327	M	87.9	Confident	86.7	Confident	47 Å²	47	65.4 Å²	65.4	23%	0.232	33%	0.333	C	S	.	.	H	α-helix	trans	-66.1	-33.9	178.6	-170.4	162.9	58.1	0	0	112.8	V323 F324 F325 F329 I330 L331 M831 L832	V323-M327 WeakPolarHBondContact O-CB 3.44Å; V323-M327 PolarHBondContact O-N 3.08Å; F324-M327 HydrophobicContact CD1-CE 3.23Å; F324-M327 HydrophobicContact CE1-CE 3.2Å; F324-M327 HydrophobicContact CG-CE 4.1Å; F324-M327 HydrophobicContact CZ-CE 4.03Å; F324-M327 PolarHBondContact O-N 3.06Å; F325-M327 VanDerWaalsContact C-N 3.33Å; F325-M327 PolarHBondContact O-N 3.43Å; M327-F329 VanDerWaalsContact C-N 3.32Å; M327-F329 PolarHBondContact O-N 3.12Å; M327-I330 PolarHBondContact O-N 3.06Å; M327-I330 VanDerWaalsContact O-N 3.13Å; M327-L331 HydrophobicContact CG-CD1 4.04Å; M327-L331 HydrophobicContact CG-CG 4.3Å; M327-L331 WeakPolarHBondContact O-CB 3Å; M327-L331 WeakPolarHBondContact O-CG 3.48Å; M327-L331 PolarHBondContact O-N 2.91Å; M327-M831 HydrophobicContact CE-SD 4.47Å; M327-L832 HydrophobicContact CE-CD1 4.36Å; M327-L832 HydrophobicContact CE-CD2 3.44Å; M327-L832 VanDerWaalsContact CE-CD2 3.44Å; M327-L832 HydrophobicContact CE-CG 3.93Å; M327-L832 HydrophobicContact SD-CD2 3.58Å; M327-L832 VanDerWaalsContact SD-CD2 3.58Å
328	A	87.2	Confident	86.5	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-60	-41.5	173.9	0	0	0	0	0	111.7	F324 F325 I326 L331 G332 Y333 A338 F341 M831	F324-A328 WeakPolarHBondContact O-CB 3.3Å; F324-A328 PolarHBondContact O-N 3.13Å; F325-A328 PolarHBondContact O-N 3.45Å; I326-A328 VanDerWaalsContact C-N 3.34Å; I326-A328 PolarHBondContact O-N 3.4Å; A328-L331 PolarHBondContact O-N 3.26Å; A328-G332 PolarHBondContact O-N 3.41Å; A328-Y333 HydrophobicContact CB-CD2 4.1Å; A328-Y333 WeakPolarHBondContact O-CB 3.42Å; A328-Y333 WeakPolarHBondContact O-CD2 3.35Å; A328-Y333 PolarHBondContact O-N 3.1Å; A328-A338 HydrophobicContact CB-CB 3.78Å; A328-F341 HydrophobicContact CB-CD2 4.19Å; A328-M831 HydrophobicContact CB-CE 4.42Å; A328-M831 HydrophobicContact CB-SD 3.99Å
329	F	87.9	Confident	86.2	Confident	96 Å²	96	64.2 Å²	64.2	42%	0.421	33%	0.326	S	S	.	.	H	α-helix	trans	-64.8	-40.4	172.2	-75.4	-67.3	0	0	0	112.9	F325 I326 M327 L331 G332 W335 A338	F325-F329 HydrophobicContact CD1-CE2 4.21Å; F325-F329 HydrophobicContact CD2-CE2 4.35Å; F325-F329 HydrophobicContact CE1-CD2 4.49Å; F325-F329 AromaticContact CE1-CE2 3.71Å; F325-F329 HydrophobicContact CE1-CE2 3.71Å; F325-F329 AromaticContact CE2-CE2 3.85Å; F325-F329 HydrophobicContact CE2-CE2 3.85Å; F325-F329 HydrophobicContact CE2-CZ 4.4Å; F325-F329 AromaticContact CZ-CE2 3.53Å; F325-F329 HydrophobicContact CZ-CE2 3.53Å; F325-F329 HydrophobicContact CZ-CZ 4.13Å; F325-F329 WeakPolarHBondContact O-CD2 3.2Å; F325-F329 PolarHBondContact O-N 3.42Å; I326-F329 PolarHBondContact O-N 2.8Å; M327-F329 VanDerWaalsContact C-N 3.32Å; M327-F329 PolarHBondContact O-N 3.12Å; F329-L331 VanDerWaalsContact C-N 3.28Å; F329-L331 PolarHBondContact O-N 2.52Å; F329-G332 PolarHBondContact O-N 2.78Å; F329-G332 VanDerWaalsContact O-N 3.08Å; F329-W335 HydrophobicContact CE1-CB 3.87Å; F329-W335 HydrophobicContact CZ-CB 3.93Å; F329-A338 HydrophobicContact CE2-CB 4.23Å; F329-A338 HydrophobicContact CZ-CB 4.28Å
330	I	90	Very high	85.5	Confident	134 Å²	134	60.6 Å²	60.6	69%	0.687	31%	0.312	S	S	*	.	H	α-helix	trans	-63.9	-35.5	177.3	-66	165	0	0	0	111.4	I326 M327 G332	I326-I330 HydrophobicContact CG2-CD1 3.98Å; I326-I330 WeakPolarHBondContact O-CG1 3.41Å; I326-I330 PolarHBondContact O-N 2.89Å; I326-I330 VanDerWaalsContact O-N 3.15Å; M327-I330 PolarHBondContact O-N 3.06Å; M327-I330 VanDerWaalsContact O-N 3.13Å; I330-G332 PolarHBondContact O-N 3.12Å
331	L	87.1	Confident	85.1	Confident	77 Å²	77	59.2 Å²	59.2	40%	0.403	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-2.8	175.7	-67.4	172.1	0	0	0	113.7	M327 A328 F329 Y333 M831	M327-L331 HydrophobicContact CG-CD1 4.04Å; M327-L331 HydrophobicContact CG-CG 4.3Å; M327-L331 WeakPolarHBondContact O-CB 3Å; M327-L331 WeakPolarHBondContact O-CG 3.48Å; M327-L331 PolarHBondContact O-N 2.91Å; A328-L331 PolarHBondContact O-N 3.26Å; F329-L331 VanDerWaalsContact C-N 3.28Å; F329-L331 PolarHBondContact O-N 2.52Å; L331-Y333 HydrophobicContact CB-CD2 3.86Å; L331-Y333 HydrophobicContact CB-CE2 3.89Å; L331-Y333 HydrophobicContact CD1-CE2 4.14Å; L331-M831 HydrophobicContact CD1-CG 4.23Å
332	G	85.2	Confident	84.9	Confident	63 Å²	63	60.6 Å²	60.6	65%	0.649	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	25.3	175.8	0	0	0	0	0	115.1	A328 F329 I330	A328-G332 PolarHBondContact O-N 3.41Å; F329-G332 PolarHBondContact O-N 2.78Å; F329-G332 VanDerWaalsContact O-N 3.08Å; I330-G332 PolarHBondContact O-N 3.12Å
333	Y	83.7	Confident	84.4	Confident	27 Å²	27	56.7 Å²	56.7	11%	0.106	29%	0.291	C	S	.	.			trans	-70.9	155.6	169.4	-72.8	-81.6	0	0	0	111.6	A328 L331 D337 F341 M831 N834 R924	A328-Y333 HydrophobicContact CB-CD2 4.1Å; A328-Y333 WeakPolarHBondContact O-CB 3.42Å; A328-Y333 WeakPolarHBondContact O-CD2 3.35Å; A328-Y333 PolarHBondContact O-N 3.1Å; L331-Y333 HydrophobicContact CB-CD2 3.86Å; L331-Y333 HydrophobicContact CB-CE2 3.89Å; L331-Y333 HydrophobicContact CD1-CE2 4.14Å; Y333-D337 HydrophobicContact CD1-CB 4.16Å; Y333-F341 AromaticContact CD1-CE2 3.58Å; Y333-F341 HydrophobicContact CD1-CE2 3.58Å; Y333-F341 AromaticContact CD1-CZ 3.84Å; Y333-F341 HydrophobicContact CD1-CZ 3.84Å; Y333-F341 HydrophobicContact CD2-CE2 4.11Å; Y333-F341 AromaticContact CE1-CE2 3.73Å; Y333-F341 HydrophobicContact CE1-CE2 3.73Å; Y333-F341 AromaticContact CE1-CZ 3.79Å; Y333-F341 HydrophobicContact CE1-CZ 3.79Å; Y333-F341 HydrophobicContact CE2-CE2 4.25Å; Y333-F341 AromaticContact CG-CE2 3.76Å; Y333-F341 HydrophobicContact CG-CE2 3.76Å; Y333-F341 HydrophobicContact CG-CZ 4.47Å; Y333-M831 HydrophobicContact CE2-CG 3.85Å; Y333-M831 PolarHBondContact OH-O 3.16Å; Y333-N834 PolarHBondContact OH-OD1 3.09Å; Y333-N834 VanDerWaalsContact OH-OD1 3.09Å; Y333-R924 VanDerWaalsContact CE1-NH1 3.3Å; Y333-R924 PolarHBondContact OH-NH1 3.48Å
334	Q	82.5	Confident	83.8	Confident	132 Å²	132	54 Å²	54	62%	0.617	28%	0.276	S	S	*	.			trans	-70.9	156.7	172.6	-61.1	-167.5	-1.3	0	0	110.5	L336 D337 A338	Q334-L336 PolarHBondContact O-N 2.96Å; Q334-D337 PolarHBondContact N-OD2 2.94Å; Q334-D337 WeakPolarHBondContact O-CB 3.4Å; Q334-D337 PolarHBondContact O-N 2.58Å; Q334-D337 VanDerWaalsContact O-N 3.16Å; Q334-A338 PolarHBondContact O-N 3.46Å
335	W	82.4	Confident	83.7	Confident	150 Å²	150	53 Å²	53	57%	0.568	27%	0.272	S	S	*	.	H	α-helix	trans	-60.3	-31.2	-179.3	71.5	-88.2	0	0	0	112.6	F329 V339	F329-W335 HydrophobicContact CE1-CB 3.87Å; F329-W335 HydrophobicContact CZ-CB 3.93Å; W335-V339 HydrophobicContact CE3-CG2 4.41Å; W335-V339 VanDerWaalsContact O-CG2 3.3Å; W335-V339 WeakPolarHBondContact O-CG2 3.34Å; W335-V339 PolarHBondContact O-N 2.99Å
336	L	77.7	Confident	83.5	Confident	38 Å²	38	51.9 Å²	51.9	20%	0.199	27%	0.268	C	S	.	.	H	α-helix	trans	-66.1	-50.2	173.8	-73.2	166.4	0	0	0	111.9	V134 Q334 A338 V339 I340	V134-L336 HydrophobicContact CB-CD2 3.99Å; V134-L336 HydrophobicContact CG1-CD1 3.61Å; V134-L336 HydrophobicContact CG1-CD2 3.69Å; V134-L336 HydrophobicContact CG1-CG 4.29Å; V134-L336 HydrophobicContact CG2-CD2 4.25Å; Q334-L336 PolarHBondContact O-N 2.96Å; L336-A338 VanDerWaalsContact C-N 3.29Å; L336-A338 PolarHBondContact O-N 3.23Å; L336-V339 PolarHBondContact O-N 2.66Å; L336-V339 VanDerWaalsContact O-N 3.16Å; L336-I340 WeakPolarHBondContact O-CG1 3.35Å; L336-I340 PolarHBondContact O-N 3.23Å
337	D	78.5	Confident	82.9	Confident	54 Å²	54	47.4 Å²	47.4	29%	0.289	25%	0.245	S	C	.	.	H	α-helix	trans	-56	-45.9	175.5	-62	-40.3	0	0	0	111	Y333 Q334 V339 I340 F341	Y333-D337 HydrophobicContact CD1-CB 4.16Å; Q334-D337 PolarHBondContact N-OD2 2.94Å; Q334-D337 WeakPolarHBondContact O-CB 3.4Å; Q334-D337 PolarHBondContact O-N 2.58Å; Q334-D337 VanDerWaalsContact O-N 3.16Å; D337-V339 PolarHBondContact O-N 3Å; D337-I340 PolarHBondContact O-N 2.88Å; D337-I340 VanDerWaalsContact O-N 3.16Å; D337-F341 HydrophobicContact CB-CE2 3.87Å; D337-F341 HydrophobicContact CB-CZ 3.73Å; D337-F341 WeakPolarHBondContact O-CD1 3.35Å; D337-F341 WeakPolarHBondContact O-CD2 3.47Å; D337-F341 WeakPolarHBondContact O-CE2 3.33Å; D337-F341 WeakPolarHBondContact O-CG 3.49Å; D337-F341 PolarHBondContact O-N 3.44Å
338	A	84	Confident	82.8	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.2	-43.3	177.7	0	0	0	0	0	111.9	F325 A328 F329 Q334 L336 F341 L342	F325-A338 HydrophobicContact CD2-CB 3.83Å; F325-A338 WeakPolarHBondContact CD2-O 3.34Å; F325-A338 HydrophobicContact CE2-CB 3.84Å; A328-A338 HydrophobicContact CB-CB 3.78Å; F329-A338 HydrophobicContact CE2-CB 4.23Å; F329-A338 HydrophobicContact CZ-CB 4.28Å; Q334-A338 PolarHBondContact O-N 3.46Å; L336-A338 VanDerWaalsContact C-N 3.29Å; L336-A338 PolarHBondContact O-N 3.23Å; A338-F341 PolarHBondContact O-N 2.84Å; A338-L342 WeakPolarHBondContact O-CB 3.24Å; A338-L342 PolarHBondContact O-N 3.16Å
339	V	81.3	Confident	82.8	Confident	33 Å²	33	45.2 Å²	45.2	20%	0.2	23%	0.234	C	C	.	.	H	α-helix	trans	-63.8	-41	173.9	168.6	0	0	0	0	111.3	F325 W335 L336 D337 F341 L342 I343	F325-V339 HydrophobicContact CE2-CG2 3.86Å; F325-V339 HydrophobicContact CZ-CG2 4.42Å; W335-V339 HydrophobicContact CE3-CG2 4.41Å; W335-V339 VanDerWaalsContact O-CG2 3.3Å; W335-V339 WeakPolarHBondContact O-CG2 3.34Å; W335-V339 PolarHBondContact O-N 2.99Å; L336-V339 PolarHBondContact O-N 2.66Å; L336-V339 VanDerWaalsContact O-N 3.16Å; D337-V339 PolarHBondContact O-N 3Å; V339-F341 PolarHBondContact O-N 2.82Å; V339-L342 WeakPolarHBondContact O-CB 3.4Å; V339-L342 PolarHBondContact O-N 3.13Å; V339-I343 HydrophobicContact CG1-CD1 4.06Å; V339-I343 VanDerWaalsContact O-CG1 3.27Å; V339-I343 WeakPolarHBondContact O-CG1 3.44Å; V339-I343 PolarHBondContact O-N 3.21Å
340	I	77.7	Confident	82.7	Confident	61 Å²	61	40.7 Å²	40.7	31%	0.313	22%	0.215	S	C	.	.	H	α-helix	trans	-63.4	-42.1	177.5	-68.3	165.1	0	0	0	111	A131 L336 D337 I343 G344	A131-I340 HydrophobicContact CB-CG1 4.25Å; L336-I340 WeakPolarHBondContact O-CG1 3.35Å; L336-I340 PolarHBondContact O-N 3.23Å; D337-I340 PolarHBondContact O-N 2.88Å; D337-I340 VanDerWaalsContact O-N 3.16Å; I340-I343 PolarHBondContact O-N 2.98Å; I340-G344 PolarHBondContact O-N 3.23Å
341	F	80.5	Confident	82.5	Confident	8 Å²	8	34.4 Å²	34.4	4%	0.035	18%	0.182	C	C	.	.	H	α-helix	trans	-68	-37.4	175.7	-48.8	-32.8	0	0	0	112.4	A328 Y333 D337 A338 V339 I343 G344 I345 F830 M831 R924	A328-F341 HydrophobicContact CB-CD2 4.19Å; Y333-F341 AromaticContact CD1-CE2 3.58Å; Y333-F341 HydrophobicContact CD1-CE2 3.58Å; Y333-F341 AromaticContact CD1-CZ 3.84Å; Y333-F341 HydrophobicContact CD1-CZ 3.84Å; Y333-F341 HydrophobicContact CD2-CE2 4.11Å; Y333-F341 AromaticContact CE1-CE2 3.73Å; Y333-F341 HydrophobicContact CE1-CE2 3.73Å; Y333-F341 AromaticContact CE1-CZ 3.79Å; Y333-F341 HydrophobicContact CE1-CZ 3.79Å; Y333-F341 HydrophobicContact CE2-CE2 4.25Å; Y333-F341 AromaticContact CG-CE2 3.76Å; Y333-F341 HydrophobicContact CG-CE2 3.76Å; Y333-F341 HydrophobicContact CG-CZ 4.47Å; D337-F341 HydrophobicContact CB-CE2 3.87Å; D337-F341 HydrophobicContact CB-CZ 3.73Å; D337-F341 WeakPolarHBondContact O-CD1 3.35Å; D337-F341 WeakPolarHBondContact O-CD2 3.47Å; D337-F341 WeakPolarHBondContact O-CE2 3.33Å; D337-F341 WeakPolarHBondContact O-CG 3.49Å; D337-F341 PolarHBondContact O-N 3.44Å; A338-F341 PolarHBondContact O-N 2.84Å; V339-F341 PolarHBondContact O-N 2.82Å; F341-I343 VanDerWaalsContact C-N 3.32Å; F341-I343 PolarHBondContact O-N 2.98Å; F341-G344 PolarHBondContact O-N 2.85Å; F341-I345 WeakPolarHBondContact O-CB 3.46Å; F341-I345 VanDerWaalsContact O-CG1 3.29Å; F341-I345 WeakPolarHBondContact O-CG1 3.32Å; F341-I345 PolarHBondContact O-N 2.85Å; F341-F830 HydrophobicContact CD1-CE1 4.29Å; F341-F830 HydrophobicContact CE1-CD1 4.38Å; F341-F830 AromaticContact CE1-CE1 3.78Å; F341-F830 HydrophobicContact CE1-CE1 3.78Å; F341-M831 HydrophobicContact CB-CE 3.51Å; F341-M831 HydrophobicContact CD2-CE 3.64Å; F341-M831 HydrophobicContact CD2-CG 4.34Å; F341-M831 HydrophobicContact CG-CE 3.85Å; F341-R924 VanDerWaalsContact CZ-NH2 3.28Å
342	L	83.7	Confident	82.3	Confident	29 Å²	29	31 Å²	31	15%	0.152	17%	0.165	C	C	.	.	H	α-helix	trans	-57.8	-45	173.2	172.6	64.5	0	0	0	111	G321 F325 A338 V339 I346	G321-L342 WeakPolarHBondContact O-CD1 3.48Å; F325-L342 HydrophobicContact CB-CB 4.45Å; F325-L342 HydrophobicContact CB-CD1 4.37Å; F325-L342 HydrophobicContact CD2-CB 4.02Å; F325-L342 HydrophobicContact CD2-CD2 4.02Å; F325-L342 HydrophobicContact CE2-CD2 4.3Å; F325-L342 HydrophobicContact CG-CD2 4.29Å; A338-L342 WeakPolarHBondContact O-CB 3.24Å; A338-L342 PolarHBondContact O-N 3.16Å; V339-L342 WeakPolarHBondContact O-CB 3.4Å; V339-L342 PolarHBondContact O-N 3.13Å; L342-I346 HydrophobicContact CD1-CD1 3.7Å; L342-I346 HydrophobicContact CD1-CG1 4.26Å; L342-I346 HydrophobicContact CG-CD1 3.98Å; L342-I346 WeakPolarHBondContact O-CB 3.44Å; L342-I346 VanDerWaalsContact O-CG1 3.28Å; L342-I346 WeakPolarHBondContact O-CG1 3.32Å; L342-I346 PolarHBondContact O-N 3.24Å
343	I	78.6	Confident	82.2	Confident	8 Å²	8	28.1 Å²	28.1	4%	0.041	13%	0.134	C	C	.	.	H	α-helix	trans	-61.8	-51.2	175	-61.6	159.6	0	0	0	110.3	L127 V339 I340 F341 I345 I346 V347	L127-I343 HydrophobicContact CB-CD1 3.58Å; L127-I343 HydrophobicContact CB-CG1 3.79Å; L127-I343 HydrophobicContact CD1-CG1 4.07Å; V339-I343 HydrophobicContact CG1-CD1 4.06Å; V339-I343 VanDerWaalsContact O-CG1 3.27Å; V339-I343 WeakPolarHBondContact O-CG1 3.44Å; V339-I343 PolarHBondContact O-N 3.21Å; I340-I343 PolarHBondContact O-N 2.98Å; F341-I343 VanDerWaalsContact C-N 3.32Å; F341-I343 PolarHBondContact O-N 2.98Å; I343-I345 VanDerWaalsContact C-N 3.31Å; I343-I345 PolarHBondContact O-N 2.85Å; I343-I346 PolarHBondContact O-N 2.72Å; I343-I346 VanDerWaalsContact O-N 3.16Å; I343-V347 HydrophobicContact CG2-CG2 4.14Å; I343-V347 WeakPolarHBondContact O-CG2 3.49Å; I343-V347 PolarHBondContact O-N 2.88Å
344	G	79.1	Confident	82.3	Confident	6 Å²	6	26.9 Å²	26.9	6%	0.062	13%	0.13	C	C	.	.	H	α-helix	trans	-57.7	-41.3	-178.7	0	0	0	0	0	113.2	I340 F341 A348	I340-G344 PolarHBondContact O-N 3.23Å; F341-G344 PolarHBondContact O-N 2.85Å; G344-A348 WeakPolarHBondContact O-CB 3.44Å; G344-A348 PolarHBondContact O-N 3.41Å
345	I	85.2	Confident	82.2	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-69.8	-40.3	176.8	-67.6	169.6	0	0	0	111.5	L320 F324 F341 I343 N349 F827 L828 M831	L320-I345 HydrophobicContact CB-CG2 4.03Å; F324-I345 HydrophobicContact CB-CD1 3.38Å; F324-I345 HydrophobicContact CD1-CD1 4.35Å; F324-I345 HydrophobicContact CD2-CD1 4.3Å; F324-I345 HydrophobicContact CG-CD1 3.76Å; F341-I345 WeakPolarHBondContact O-CB 3.46Å; F341-I345 VanDerWaalsContact O-CG1 3.29Å; F341-I345 WeakPolarHBondContact O-CG1 3.32Å; F341-I345 PolarHBondContact O-N 2.85Å; I343-I345 VanDerWaalsContact C-N 3.31Å; I343-I345 PolarHBondContact O-N 2.85Å; I345-N349 PolarHBondContact O-N 2.86Å; I345-N349 PolarHBondContact O-ND2 2.83Å; I345-F827 HydrophobicContact CG1-CB 4.24Å; I345-L828 HydrophobicContact CD1-CD2 3.78Å; I345-L828 HydrophobicContact CG1-CD2 4.05Å; I345-M831 HydrophobicContact CD1-CE 4.09Å
346	I	82.2	Confident	82.3	Confident	25 Å²	25	16.3 Å²	16.3	13%	0.128	9%	0.092	C	C	.	.	H	α-helix	trans	-65	-46	177	-72.1	169.3	0	0	0	110.7	L342 I343 N349 V350	L342-I346 HydrophobicContact CD1-CD1 3.7Å; L342-I346 HydrophobicContact CD1-CG1 4.26Å; L342-I346 HydrophobicContact CG-CD1 3.98Å; L342-I346 WeakPolarHBondContact O-CB 3.44Å; L342-I346 VanDerWaalsContact O-CG1 3.28Å; L342-I346 WeakPolarHBondContact O-CG1 3.32Å; L342-I346 PolarHBondContact O-N 3.24Å; I343-I346 PolarHBondContact O-N 2.72Å; I343-I346 VanDerWaalsContact O-N 3.16Å; I346-N349 PolarHBondContact O-N 3.38Å; I346-V350 WeakPolarHBondContact O-CG2 3.49Å; I346-V350 PolarHBondContact O-N 3.47Å
347	V	79.5	Confident	82.9	Confident	7 Å²	7	14.5 Å²	14.5	4%	0.042	8%	0.083	C	C	.	.	H	α-helix	trans	-60.1	-52.1	178.4	172.6	0	0	0	0	110.2	L153 I343 N349 V350	L153-V347 HydrophobicContact CD1-CG2 4.02Å; L153-V347 HydrophobicContact CD2-CG1 4.37Å; I343-V347 HydrophobicContact CG2-CG2 4.14Å; I343-V347 WeakPolarHBondContact O-CG2 3.49Å; I343-V347 PolarHBondContact O-N 2.88Å; V347-N349 PolarHBondContact O-N 3.4Å; V347-V350 PolarHBondContact O-N 2.78Å
348	A	85.1	Confident	83.4	Confident	1 Å²	1	12.4 Å²	12.4	1%	0.008	7%	0.072	C	C	.	.	H	α-helix	trans	-62.6	-10.6	178.5	0	0	0	0	0	115.2	G344 N820 I824 I844	G344-A348 WeakPolarHBondContact O-CB 3.44Å; G344-A348 PolarHBondContact O-N 3.41Å; A348-N820 PolarHBondContact O-ND2 2.93Å; A348-N820 VanDerWaalsContact O-ND2 3.13Å; A348-I824 HydrophobicContact CB-CB 4.49Å; A348-I824 HydrophobicContact CB-CG1 3.75Å; A348-I824 VanDerWaalsContact O-CG1 3.25Å; A348-I824 WeakPolarHBondContact O-CG1 3.26Å; A348-I844 HydrophobicContact CB-CD1 4.02Å
349	N	86.9	Confident	83.4	Confident	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-96	-13.1	173.1	-87	-93.8	0	0	0	114	I313 A317 I345 I346 V347 P351 I824	I313-N349 WeakPolarHBondContact CG2-O 3.22Å; A317-N349 HydrophobicContact CB-CB 3.49Å; A317-N349 VanDerWaalsContact CB-CB 3.49Å; I345-N349 PolarHBondContact O-N 2.86Å; I345-N349 PolarHBondContact O-ND2 2.83Å; I346-N349 PolarHBondContact O-N 3.38Å; V347-N349 PolarHBondContact O-N 3.4Å; N349-P351 WeakPolarHBondContact O-CD 3.33Å; N349-I824 HydrophobicContact CB-CD1 4.36Å; N349-I824 VanDerWaalsContact ND2-CD1 3.32Å; N349-I824 WeakPolarHBondContact ND2-CD1 3.23Å; N349-I824 WeakPolarHBondContact OD1-CD1 3.37Å
350	V	85.4	Confident	83.8	Confident	1 Å²	1	14.5 Å²	14.5	1%	0.006	9%	0.085	C	C	.	.	S	Bend	trans	-102.6	104.7	-175.5	175	0	0	0	0	108.6	F117 L120 L121 I346 V347 E352	F117-V350 HydrophobicContact CB-CG1 3.95Å; F117-V350 HydrophobicContact CD1-CG1 3.81Å; F117-V350 HydrophobicContact CD1-CG2 4.35Å; F117-V350 HydrophobicContact CG-CG1 3.97Å; L120-V350 HydrophobicContact CB-CG2 4.33Å; L120-V350 HydrophobicContact CD1-CG2 3.79Å; L121-V350 HydrophobicContact CD1-CG1 4.35Å; L121-V350 HydrophobicContact CD2-CB 4.27Å; L121-V350 HydrophobicContact CD2-CG1 3.82Å; L121-V350 HydrophobicContact CG-CG1 4.06Å; I346-V350 WeakPolarHBondContact O-CG2 3.49Å; I346-V350 PolarHBondContact O-N 3.47Å; V347-V350 PolarHBondContact O-N 2.78Å; V350-E352 VanDerWaalsContact O-CD 3.22Å; V350-E352 PolarHBondContact O-N 3.49Å; V350-E352 VanDerWaalsContact O-OE2 3.13Å
351	P	85.5	Confident	84.5	Confident	2 Å²	2	11.7 Å²	11.7	1%	0.013	7%	0.071	C	C	.	.			trans	-72.5	95.2	-176.4	29.8	-35.6	0	0	0	110.4	F309 N349 G353 L354 T816 L817	F309-P351 HydrophobicContact CZ-CG 4.45Å; N349-P351 WeakPolarHBondContact O-CD 3.33Å; P351-G353 VanDerWaalsContact C-N 3.3Å; P351-G353 PolarHBondContact O-N 2.82Å; P351-L354 HydrophobicContact CB-CB 4.02Å; P351-L354 HydrophobicContact CB-CD2 4.45Å; P351-L354 HydrophobicContact CG-CB 4.07Å; P351-L354 HydrophobicContact CG-CD2 3.9Å; P351-L354 PolarHBondContact O-N 2.53Å; P351-T816 HydrophobicContact CB-CG2 4.19Å; P351-L817 HydrophobicContact CG-CD2 4.23Å
352	E	83	Confident	85	Confident	7 Å²	7	11.5 Å²	11.5	3%	0.033	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-31.1	-168.6	-62.2	99.2	153.2	0	0	113.3	L121 V156 V350 L354 L849	L121-E352 HydrophobicContact CD1-CG 3.96Å; L121-E352 HydrophobicContact CD2-CG 3.79Å; V156-E352 HydrophobicContact CG1-CB 3.99Å; V156-E352 HydrophobicContact CG1-CG 4.34Å; V350-E352 VanDerWaalsContact O-CD 3.22Å; V350-E352 PolarHBondContact O-N 3.49Å; V350-E352 VanDerWaalsContact O-OE2 3.13Å; E352-L354 VanDerWaalsContact C-N 3.33Å; E352-L354 PolarHBondContact O-N 2.9Å; E352-L849 HydrophobicContact CB-CD2 3.96Å; E352-L849 HydrophobicContact CB-CG 4.37Å
353	G	83.1	Confident	85.2	Confident	1 Å²	1	13.1 Å²	13.1	1%	0.01	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-25.2	177	0	0	0	0	0	114.1	P351 L355 A356 T357 D848	P351-G353 VanDerWaalsContact C-N 3.3Å; P351-G353 PolarHBondContact O-N 2.82Å; G353-L355 PolarHBondContact O-N 2.89Å; G353-A356 WeakPolarHBondContact O-CB 3.2Å; G353-A356 PolarHBondContact O-N 3.23Å; G353-A356 VanDerWaalsContact O-N 3.07Å; G353-T357 PolarHBondContact O-N 3.44Å; G353-T357 PolarHBondContact O-OG1 3.06Å; G353-D848 WeakPolarHBondContact CA-O 3.21Å
354	L	86.3	Confident	85.8	Confident	1 Å²	1	14.8 Å²	14.8	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-66.8	-37.5	-162.7	-175.4	57.1	0	0	0	114	F309 P351 E352 A356 T357 V358 I813 T816	F309-L354 HydrophobicContact CE1-CD2 3.51Å; F309-L354 HydrophobicContact CE2-CD2 4.46Å; F309-L354 HydrophobicContact CZ-CD2 3.35Å; P351-L354 HydrophobicContact CB-CB 4.02Å; P351-L354 HydrophobicContact CB-CD2 4.45Å; P351-L354 HydrophobicContact CG-CB 4.07Å; P351-L354 HydrophobicContact CG-CD2 3.9Å; P351-L354 PolarHBondContact O-N 2.53Å; E352-L354 VanDerWaalsContact C-N 3.33Å; E352-L354 PolarHBondContact O-N 2.9Å; L354-A356 VanDerWaalsContact C-N 3.3Å; L354-A356 PolarHBondContact O-N 3.4Å; L354-T357 WeakPolarHBondContact O-CB 3.31Å; L354-T357 PolarHBondContact O-N 2.93Å; L354-V358 HydrophobicContact CD1-CG2 4.26Å; L354-V358 HydrophobicContact CG-CG2 4.45Å; L354-V358 WeakPolarHBondContact O-CG2 3.42Å; L354-V358 PolarHBondContact O-N 2.93Å; L354-I813 HydrophobicContact CD1-CG1 3.93Å; L354-I813 HydrophobicContact CD2-CG1 4.3Å; L354-I813 HydrophobicContact CD2-CG2 4.24Å; L354-T816 HydrophobicContact CB-CG2 4.16Å; L354-T816 HydrophobicContact CD1-CG2 4.21Å
355	L	81.4	Confident	86.4	Confident	30 Å²	30	14.6 Å²	14.6	16%	0.157	9%	0.088	C	C	.	.	H	α-helix	trans	-64.6	-37	176.1	-71.7	176.6	0	0	0	111.7	F117 I306 G353 T359	F117-L355 HydrophobicContact CB-CD1 4.4Å; F117-L355 HydrophobicContact CD2-CD1 3.99Å; F117-L355 HydrophobicContact CD2-CG 4.17Å; I306-L355 HydrophobicContact CG2-CD2 4.35Å; G353-L355 PolarHBondContact O-N 2.89Å; L355-T359 WeakPolarHBondContact O-CB 3.41Å; L355-T359 PolarHBondContact O-N 3.29Å; L355-T359 VanDerWaalsContact O-N 3.14Å; L355-T359 PolarHBondContact O-OG1 3.28Å
356	A	83.6	Confident	86.6	Confident	30 Å²	30	15.1 Å²	15.1	25%	0.248	9%	0.092	C	C	.	.	H	α-helix	trans	-67.5	-43.9	174.3	0	0	0	0	0	110.9	G353 L354 T359 V360	G353-A356 WeakPolarHBondContact O-CB 3.2Å; G353-A356 PolarHBondContact O-N 3.23Å; G353-A356 VanDerWaalsContact O-N 3.07Å; L354-A356 VanDerWaalsContact C-N 3.3Å; L354-A356 PolarHBondContact O-N 3.4Å; A356-T359 PolarHBondContact O-N 3.33Å; A356-V360 WeakPolarHBondContact O-CG2 3.41Å; A356-V360 PolarHBondContact O-N 2.81Å
357	T	89.5	Confident	86.9	Confident	1 Å²	1	21.5 Å²	21.5	1%	0.006	12%	0.119	C	C	.	.	H	α-helix	trans	-53.8	-55.6	173.4	-61.5	0	0	0	0	111.3	G353 L354 T359 V360 C361 S812 L853 A856 I857	G353-T357 PolarHBondContact O-N 3.44Å; G353-T357 PolarHBondContact O-OG1 3.06Å; L354-T357 WeakPolarHBondContact O-CB 3.31Å; L354-T357 PolarHBondContact O-N 2.93Å; T357-T359 VanDerWaalsContact C-N 3.32Å; T357-T359 PolarHBondContact O-N 3.12Å; T357-V360 PolarHBondContact O-N 3.11Å; T357-V360 VanDerWaalsContact O-N 3.12Å; T357-C361 WeakPolarHBondContact O-CB 3.49Å; T357-C361 PolarHBondContact O-N 2.66Å; T357-C361 PolarHBondContact O-SG 2.88Å; T357-S812 WeakPolarHBondContact CG2-OG 3.38Å; T357-L853 WeakPolarHBondContact OG1-CD1 3.38Å; T357-A856 HydrophobicContact CG2-CB 3.76Å; T357-I857 HydrophobicContact CG2-CG1 4.04Å
358	V	89.1	Confident	87.4	Confident	10 Å²	10	24.3 Å²	24.3	6%	0.061	13%	0.129	C	C	.	.	H	α-helix	trans	-56.8	-44.4	-179.8	174.8	0	0	0	0	111.5	I306 L354 C361 L362 L809	I306-V358 HydrophobicContact CD1-CG1 4.13Å; L354-V358 HydrophobicContact CD1-CG2 4.26Å; L354-V358 HydrophobicContact CG-CG2 4.45Å; L354-V358 WeakPolarHBondContact O-CG2 3.42Å; L354-V358 PolarHBondContact O-N 2.93Å; V358-C361 PolarHBondContact O-N 3.14Å; V358-L362 HydrophobicContact CG1-CD1 4.19Å; V358-L362 WeakPolarHBondContact O-CG 3.5Å; V358-L362 PolarHBondContact O-N 3.36Å; V358-L809 HydrophobicContact CB-CD2 4.34Å; V358-L809 HydrophobicContact CG1-CD2 4.1Å; V358-L809 HydrophobicContact CG2-CD2 4.14Å
359	T	85.9	Confident	87.6	Confident	22 Å²	22	24.4 Å²	24.4	14%	0.135	13%	0.129	C	C	.	.	H	α-helix	trans	-61.6	-43.3	176.5	-70.5	0	0	0	0	112.5	L355 A356 T357 T363	L355-T359 WeakPolarHBondContact O-CB 3.41Å; L355-T359 PolarHBondContact O-N 3.29Å; L355-T359 VanDerWaalsContact O-N 3.14Å; L355-T359 PolarHBondContact O-OG1 3.28Å; A356-T359 PolarHBondContact O-N 3.33Å; T357-T359 VanDerWaalsContact C-N 3.32Å; T357-T359 PolarHBondContact O-N 3.12Å; T359-T363 WeakPolarHBondContact O-CB 3.4Å; T359-T363 PolarHBondContact O-N 3.28Å; T359-T363 PolarHBondContact O-OG1 2.79Å
360	V	89	Confident	87.7	Confident	55 Å²	55	26.3 Å²	26.3	33%	0.333	15%	0.145	S	C	.	.	H	α-helix	trans	-67.1	-44.5	177	174.9	0	0	0	0	110.7	A356 T357 L362 T363 L364 I857	A356-V360 WeakPolarHBondContact O-CG2 3.41Å; A356-V360 PolarHBondContact O-N 2.81Å; T357-V360 PolarHBondContact O-N 3.11Å; T357-V360 VanDerWaalsContact O-N 3.12Å; V360-L362 PolarHBondContact O-N 2.94Å; V360-T363 WeakPolarHBondContact O-CA 3.19Å; V360-T363 WeakPolarHBondContact O-CB 3.35Å; V360-T363 PolarHBondContact O-N 3.43Å; V360-T363 VanDerWaalsContact O-N 3.08Å; V360-L364 HydrophobicContact CG1-CD1 4.03Å; V360-L364 HydrophobicContact CG1-CG 4.23Å; V360-L364 WeakPolarHBondContact O-CG 3.47Å; V360-L364 PolarHBondContact O-N 2.54Å; V360-I857 HydrophobicContact CB-CD1 4.15Å; V360-I857 HydrophobicContact CB-CG1 4.27Å; V360-I857 HydrophobicContact CG1-CD1 3.99Å; V360-I857 HydrophobicContact CG1-CG1 4.17Å; V360-I857 HydrophobicContact CG1-CG2 3.79Å; V360-I857 HydrophobicContact CG2-CD1 4.38Å
361	C	92.2	Very high	87.9	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.007	18%	0.175	C	C	.	.	H	α-helix	trans	-55.3	-47.9	176.4	-66.1	0	0	0	0	111.9	T357 V358 L364 T365 I805 L809 A860	T357-C361 WeakPolarHBondContact O-CB 3.49Å; T357-C361 PolarHBondContact O-N 2.66Å; T357-C361 PolarHBondContact O-SG 2.88Å; V358-C361 PolarHBondContact O-N 3.14Å; C361-L364 PolarHBondContact O-N 2.69Å; C361-T365 PolarHBondContact O-N 3.45Å; C361-T365 PolarHBondContact O-OG1 2.84Å; C361-I805 HydrophobicContact CB-CD1 4.17Å; C361-L809 HydrophobicContact CB-CD2 3.8Å; C361-A860 HydrophobicContact CB-CB 3.9Å
362	L	91	Very high	88	Confident	4 Å²	4	34.6 Å²	34.6	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-64.6	-38.3	174.8	-68.7	172.5	0	0	0	112.5	V358 V360 L364 T365 A366 L379 V382 I805 L809	V358-L362 HydrophobicContact CG1-CD1 4.19Å; V358-L362 WeakPolarHBondContact O-CG 3.5Å; V358-L362 PolarHBondContact O-N 3.36Å; V360-L362 PolarHBondContact O-N 2.94Å; L362-L364 VanDerWaalsContact C-N 3.34Å; L362-L364 PolarHBondContact O-N 3.37Å; L362-T365 PolarHBondContact O-N 2.9Å; L362-A366 WeakPolarHBondContact O-CB 3.29Å; L362-A366 PolarHBondContact O-N 3.14Å; L362-L379 HydrophobicContact CB-CB 4.24Å; L362-V382 HydrophobicContact CD2-CB 4.48Å; L362-I805 HydrophobicContact CD2-CG1 4.16Å; L362-L809 HydrophobicContact CD2-CD1 4.27Å
363	T	88.6	Confident	88.2	Confident	63 Å²	63	37.8 Å²	37.8	39%	0.387	21%	0.21	S	C	.	.	H	α-helix	trans	-62.2	-40.2	176.3	-58.8	0	0	0	0	112	T359 V360 A366 K367 L379	T359-T363 WeakPolarHBondContact O-CB 3.4Å; T359-T363 PolarHBondContact O-N 3.28Å; T359-T363 PolarHBondContact O-OG1 2.79Å; V360-T363 WeakPolarHBondContact O-CA 3.19Å; V360-T363 WeakPolarHBondContact O-CB 3.35Å; V360-T363 PolarHBondContact O-N 3.43Å; V360-T363 VanDerWaalsContact O-N 3.08Å; T363-A366 PolarHBondContact O-N 3.15Å; T363-K367 WeakPolarHBondContact O-CB 3.36Å; T363-K367 PolarHBondContact O-N 2.74Å; T363-L379 VanDerWaalsContact OG1-CD1 3.28Å; T363-L379 WeakPolarHBondContact OG1-CD1 3.05Å
364	L	91.1	Very high	88.4	Confident	43 Å²	43	37.9 Å²	37.9	23%	0.225	21%	0.21	C	C	.	.	H	α-helix	trans	-66	-44.3	178.3	-69.1	172.7	0	0	0	111.6	V360 C361 L362 K367 R368 I857 Y861	V360-L364 HydrophobicContact CG1-CD1 4.03Å; V360-L364 HydrophobicContact CG1-CG 4.23Å; V360-L364 WeakPolarHBondContact O-CG 3.47Å; V360-L364 PolarHBondContact O-N 2.54Å; C361-L364 PolarHBondContact O-N 2.69Å; L362-L364 VanDerWaalsContact C-N 3.34Å; L362-L364 PolarHBondContact O-N 3.37Å; L364-K367 PolarHBondContact O-N 2.97Å; L364-R368 PolarHBondContact O-N 2.96Å; L364-I857 HydrophobicContact CD1-CG2 3.88Å; L364-Y861 HydrophobicContact CD1-CD2 4.45Å; L364-Y861 HydrophobicContact CD1-CE2 3.63Å; L364-Y861 WeakPolarHBondContact CD2-OH 3.4Å
365	T	91.8	Very high	88.6	Confident	3 Å²	3	41.2 Å²	41.2	2%	0.018	23%	0.228	C	C	.	.	H	α-helix	trans	-66.7	-40.7	175.8	-52.8	0	0	0	0	111.8	C361 L362 K367 R368 M369 V382 E801 I805	C361-T365 PolarHBondContact O-N 3.45Å; C361-T365 PolarHBondContact O-OG1 2.84Å; L362-T365 PolarHBondContact O-N 2.9Å; T365-K367 VanDerWaalsContact C-N 3.32Å; T365-K367 PolarHBondContact O-N 3.45Å; T365-R368 WeakPolarHBondContact O-CB 3.45Å; T365-R368 PolarHBondContact O-N 3.28Å; T365-R368 VanDerWaalsContact O-N 3.13Å; T365-M369 PolarHBondContact O-N 2.91Å; T365-V382 HydrophobicContact CG2-CG1 3.44Å; T365-V382 VanDerWaalsContact CG2-CG1 3.44Å; T365-E801 HydrophobicContact CG2-CB 4Å; T365-I805 HydrophobicContact CG2-CB 4.26Å; T365-I805 WeakPolarHBondContact OG1-CD1 3.48Å
366	A	89.4	Confident	88.9	Confident	10 Å²	10	40.7 Å²	40.7	8%	0.083	23%	0.226	C	C	.	.	H	α-helix	trans	-59.9	-40.8	173.4	0	0	0	0	0	112.2	L362 T363 M369 A370 L379 V382	L362-A366 WeakPolarHBondContact O-CB 3.29Å; L362-A366 PolarHBondContact O-N 3.14Å; T363-A366 PolarHBondContact O-N 3.15Å; A366-M369 PolarHBondContact O-N 3.4Å; A366-A370 WeakPolarHBondContact O-CB 3.3Å; A366-A370 PolarHBondContact O-N 3.48Å; A366-L379 HydrophobicContact CB-CD2 3.48Å; A366-L379 VanDerWaalsContact CB-CD2 3.48Å; A366-V382 HydrophobicContact CB-CG2 3.96Å
367	K	88.4	Confident	88.9	Confident	160 Å²	160	41.2 Å²	41.2	70%	0.696	22%	0.222	S	C	*	.	H	α-helix	trans	-64.6	-38	174.1	-173.6	179.2	178.7	-177.7	0	112.2	T363 L364 T365 A370 S371	T363-K367 WeakPolarHBondContact O-CB 3.36Å; T363-K367 PolarHBondContact O-N 2.74Å; L364-K367 PolarHBondContact O-N 2.97Å; T365-K367 VanDerWaalsContact C-N 3.32Å; T365-K367 PolarHBondContact O-N 3.45Å; K367-A370 PolarHBondContact O-N 3.47Å; K367-S371 PolarHBondContact O-N 2.86Å; K367-S371 VanDerWaalsContact O-N 3.13Å
368	R	89.6	Confident	88.5	Confident	66 Å²	66	43 Å²	43	25%	0.249	23%	0.231	C	C	.	.	H	α-helix	trans	-64.6	-44.3	175.7	-168.2	-169.9	-70	166.3	-3.4	111.4	L364 T365 S371 E801	L364-R368 PolarHBondContact O-N 2.96Å; T365-R368 WeakPolarHBondContact O-CB 3.45Å; T365-R368 PolarHBondContact O-N 3.28Å; T365-R368 VanDerWaalsContact O-N 3.13Å; R368-S371 PolarHBondContact O-N 3.34Å; R368-S371 PolarHBondContact O-OG 3.01Å; R368-E801 VanDerWaalsContact CD-CD 3.45Å; R368-E801 WeakPolarHBondContact CD-OE1 3.35Å; R368-E801 VanDerWaalsContact CD-OE2 3.24Å; R368-E801 WeakPolarHBondContact CD-OE2 3.49Å; R368-E801 IonicContact CZ-OE2 2.69Å; R368-E801 IonicContact NE-OE2 2.89Å; R368-E801 IonicContact NH1-OE2 3.76Å; R368-E801 PolarHBondContact NH1-OE2 3.47Å
369	M	89.3	Confident	88.2	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-67.1	-37.8	175.4	-68.7	-168	-53.9	0	0	112.6	T365 A366 S371 K372 N373 C374 V376 V382 M785 E801	T365-M369 PolarHBondContact O-N 2.91Å; A366-M369 PolarHBondContact O-N 3.4Å; M369-S371 PolarHBondContact O-N 3.07Å; M369-K372 CarbonylContact O-C 3.58Å; M369-K372 VanDerWaalsContact O-C 3.26Å; M369-K372 WeakPolarHBondContact O-CA 3.18Å; M369-K372 PolarHBondContact O-N 3.15Å; M369-N373 PolarHBondContact O-N 3.38Å; M369-C374 CarbonylContact C-O 3.55Å; M369-C374 HydrophobicContact CB-CB 4.16Å; M369-C374 PolarHBondContact O-N 3.3Å; M369-V376 HydrophobicContact CE-CG2 3.52Å; M369-V382 HydrophobicContact CE-CB 3.92Å; M369-V382 HydrophobicContact CE-CG1 3.58Å; M369-V382 HydrophobicContact CE-CG2 3.62Å; M369-V382 HydrophobicContact SD-CG1 4.48Å; M369-M785 HydrophobicContact CE-CE 4.27Å; M369-E801 HydrophobicContact CG-CB 4.08Å; M369-E801 HydrophobicContact CG-CG 4.07Å; M369-E801 HydrophobicContact SD-CB 3.97Å
370	A	88.9	Confident	88.3	Confident	41 Å²	41	45.1 Å²	45.1	34%	0.339	24%	0.24	S	C	.	.	H	α-helix	trans	-61.3	-32.2	174	0	0	0	0	0	112.5	A366 K367 K372 N373 C374	A366-A370 WeakPolarHBondContact O-CB 3.3Å; A366-A370 PolarHBondContact O-N 3.48Å; K367-A370 PolarHBondContact O-N 3.47Å; A370-K372 PolarHBondContact O-N 2.99Å; A370-N373 PolarHBondContact O-N 3.16Å; A370-C374 VanDerWaalsContact CA-O 3.32Å; A370-C374 WeakPolarHBondContact CA-O 3.46Å; A370-C374 PolarHBondContact N-O 2.87Å; A370-C374 VanDerWaalsContact N-O 3.13Å
371	S	89.2	Confident	88.2	Confident	93 Å²	93	42.6 Å²	42.6	65%	0.65	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-12.5	172.4	76	0	0	0	0	114.3	K367 R368 M369	K367-S371 PolarHBondContact O-N 2.86Å; K367-S371 VanDerWaalsContact O-N 3.13Å; R368-S371 PolarHBondContact O-N 3.34Å; R368-S371 PolarHBondContact O-OG 3.01Å; M369-S371 PolarHBondContact O-N 3.07Å
372	K	87.2	Confident	88.1	Confident	83 Å²	83	42.6 Å²	42.6	36%	0.361	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	34.9	173	-54.5	-179.1	-175.3	172.3	0	110.8	M369 A370 C374 T797 E801	M369-K372 CarbonylContact O-C 3.58Å; M369-K372 VanDerWaalsContact O-C 3.26Å; M369-K372 WeakPolarHBondContact O-CA 3.18Å; M369-K372 PolarHBondContact O-N 3.15Å; A370-K372 PolarHBondContact O-N 2.99Å; K372-C374 PolarHBondContact O-N 3.37Å; K372-T797 HydrophobicContact CD-CG2 3.46Å; K372-T797 VanDerWaalsContact CD-CG2 3.46Å; K372-E801 IonicContact NZ-OE1 3.94Å; K372-E801 PolarHBondContact NZ-OE1 2.7Å
373	N	86.9	Confident	88.2	Confident	75 Å²	75	42.4 Å²	42.4	40%	0.401	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	8.1	179.9	-57.4	-32	0	0	0	116.8	M369 A370 L788 D789	M369-N373 PolarHBondContact O-N 3.38Å; A370-N373 PolarHBondContact O-N 3.16Å; N373-L788 HydrophobicContact CB-CB 4.26Å; N373-L788 VanDerWaalsContact O-CB 3.29Å; N373-L788 WeakPolarHBondContact O-CB 3.34Å; N373-L788 WeakPolarHBondContact O-CG 3.47Å; N373-L788 PolarHBondContact O-N 3.08Å; N373-D789 HydrophobicContact CB-CB 3.92Å; N373-D789 VanDerWaalsContact CB-CG 3.47Å; N373-D789 WeakPolarHBondContact CB-OD2 3.25Å; N373-D789 PolarHBondContact ND2-OD2 3.39Å
374	C	88.9	Confident	88.4	Confident	3 Å²	3	39.4 Å²	39.4	2%	0.02	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	97.7	179.9	-177.9	0	0	0	0	110.1	M369 A370 K372 M785	M369-C374 CarbonylContact C-O 3.55Å; M369-C374 HydrophobicContact CB-CB 4.16Å; M369-C374 PolarHBondContact O-N 3.3Å; A370-C374 VanDerWaalsContact CA-O 3.32Å; A370-C374 WeakPolarHBondContact CA-O 3.46Å; A370-C374 PolarHBondContact N-O 2.87Å; A370-C374 VanDerWaalsContact N-O 3.13Å; K372-C374 PolarHBondContact O-N 3.37Å; C374-M785 PolarHBondContact SG-SD 2.78Å
375	L	89.9	Confident	88.5	Confident	71 Å²	71	37.3 Å²	37.3	37%	0.372	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	128.1	-178.2	178.6	64.7	0	0	0	110.7	M785 I786 L788	L375-M785 CarbonylContact O-C 3.53Å; L375-M785 WeakPolarHBondContact O-CA 3.39Å; L375-I786 HydrophobicContact CB-CB 4.45Å; L375-I786 PolarHBondContact N-O 3.19Å; L375-I786 PolarHBondContact O-N 3.38Å; L375-L788 HydrophobicContact CB-CD1 4.12Å; L375-L788 HydrophobicContact CB-CD2 4.12Å; L375-L788 HydrophobicContact CB-CG 4.04Å; L375-L788 HydrophobicContact CD2-CD2 4.19Å
376	V	87.5	Confident	88.5	Confident	19 Å²	19	37.3 Å²	37.3	12%	0.115	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126.8	177.8	178.4	0	0	0	0	111	M369 N378 A381 V382 M785	M369-V376 HydrophobicContact CE-CG2 3.52Å; V376-N378 WeakPolarHBondContact CG1-O 3.29Å; V376-A381 HydrophobicContact CG1-CB 4.3Å; V376-V382 HydrophobicContact CB-CG2 4.48Å; V376-V382 HydrophobicContact CG1-CG2 3.99Å; V376-V382 HydrophobicContact CG2-CG2 4.3Å; V376-M785 HydrophobicContact CG2-CE 3.64Å; V376-M785 HydrophobicContact CG2-CG 4.28Å
377	K	82.7	Confident	88.7	Confident	40 Å²	40	37 Å²	37	17%	0.174	19%	0.192	C	C	.	.	S	Bend	trans	-87.7	-36.9	177.3	-66.4	163.6	61	-169	0	112.3	K780 Q781 A783 D784 I786	K377-K780 PolarHBondContact NZ-O 3.44Å; K377-Q781 VanDerWaalsContact NZ-C 3.34Å; K377-Q781 PolarHBondContact NZ-O 3.24Å; K377-A783 WeakPolarHBondContact CD-O 3.35Å; K377-A783 WeakPolarHBondContact CE-O 3.35Å; K377-A783 PolarHBondContact NZ-O 2.67Å; K377-D784 WeakPolarHBondContact CB-O 3.44Å; K377-D784 PolarHBondContact N-O 2.92Å; K377-I786 HydrophobicContact CD-CD1 3.99Å; K377-I786 HydrophobicContact CD-CG1 4.3Å
378	N	81.3	Confident	89.1	Confident	38 Å²	38	29.4 Å²	29.4	20%	0.203	16%	0.159	C	C	.	.	S	Bend	trans	-113.9	116.4	174.5	-179.3	4.6	0	0	0	110.4	V376 E380 A381	V376-N378 WeakPolarHBondContact CG1-O 3.29Å; N378-E380 PolarHBondContact O-N 2.61Å; N378-E380 PolarHBondContact OD1-N 3.26Å; N378-A381 VanDerWaalsContact O-CB 3.24Å; N378-A381 WeakPolarHBondContact O-CB 3.49Å; N378-A381 PolarHBondContact O-N 3.13Å
379	L	83.7	Confident	89.4	Confident	28 Å²	28	27.8 Å²	27.8	15%	0.147	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-21	-177.7	-60.6	-175.7	0	0	0	114.1	Q167 L362 T363 A366 A381 V382	Q167-L379 HydrophobicContact CG-CB 4.47Å; Q167-L379 HydrophobicContact CG-CD1 3.89Å; Q167-L379 HydrophobicContact CG-CG 4.15Å; L362-L379 HydrophobicContact CB-CB 4.24Å; T363-L379 VanDerWaalsContact OG1-CD1 3.28Å; T363-L379 WeakPolarHBondContact OG1-CD1 3.05Å; A366-L379 HydrophobicContact CB-CD2 3.48Å; A366-L379 VanDerWaalsContact CB-CD2 3.48Å; L379-A381 VanDerWaalsContact C-N 3.35Å; L379-V382 WeakPolarHBondContact O-CB 3.31Å; L379-V382 WeakPolarHBondContact O-CG2 3.22Å
380	E	87.3	Confident	89.7	Confident	50 Å²	50	28.2 Å²	28.2	23%	0.234	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-25.8	174.7	-64.7	-177.9	178.8	0	0	113.4	T300 I302 N378 V382 E383 T384	T300-E380 WeakPolarHBondContact CB-OE2 2.95Å; T300-E380 HydrophobicContact CG2-CB 3.85Å; T300-E380 VanDerWaalsContact CG2-OE2 3.24Å; T300-E380 WeakPolarHBondContact CG2-OE2 3.16Å; T300-E380 PolarHBondContact OG1-OE2 3.2Å; I302-E380 HydrophobicContact CG2-CB 3.54Å; I302-E380 HydrophobicContact CG2-CG 3.83Å; N378-E380 PolarHBondContact O-N 2.61Å; N378-E380 PolarHBondContact OD1-N 3.26Å; E380-V382 PolarHBondContact O-N 2.84Å; E380-E383 PolarHBondContact O-N 3.22Å; E380-T384 PolarHBondContact O-N 3.01Å; E380-T384 PolarHBondContact O-OG1 3.12Å
381	A	87.9	Confident	90.1	Very high	2 Å²	2	26.3 Å²	26.3	2%	0.017	15%	0.145	C	C	.	.	H	α-helix	trans	-64.5	-23.3	177.7	0	0	0	0	0	112.2	V376 N378 L379 E383 T384 L385 I767 D784	V376-A381 HydrophobicContact CG1-CB 4.3Å; N378-A381 VanDerWaalsContact O-CB 3.24Å; N378-A381 WeakPolarHBondContact O-CB 3.49Å; N378-A381 PolarHBondContact O-N 3.13Å; L379-A381 VanDerWaalsContact C-N 3.35Å; A381-E383 PolarHBondContact O-N 3.42Å; A381-T384 PolarHBondContact O-N 3.4Å; A381-L385 PolarHBondContact O-N 2.84Å; A381-I767 HydrophobicContact CB-CD1 3.9Å; A381-I767 HydrophobicContact CB-CG1 4.08Å; A381-I767 WeakPolarHBondContact O-CD1 3.49Å; A381-D784 HydrophobicContact CB-CB 3.85Å
382	V	89.1	Confident	90.5	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-53.9	-50.3	175.6	179.5	0	0	0	0	111.8	L362 T365 A366 M369 V376 L379 E380 G802 I805	L362-V382 HydrophobicContact CD2-CB 4.48Å; T365-V382 HydrophobicContact CG2-CG1 3.44Å; T365-V382 VanDerWaalsContact CG2-CG1 3.44Å; A366-V382 HydrophobicContact CB-CG2 3.96Å; M369-V382 HydrophobicContact CE-CB 3.92Å; M369-V382 HydrophobicContact CE-CG1 3.58Å; M369-V382 HydrophobicContact CE-CG2 3.62Å; M369-V382 HydrophobicContact SD-CG1 4.48Å; V376-V382 HydrophobicContact CB-CG2 4.48Å; V376-V382 HydrophobicContact CG1-CG2 3.99Å; V376-V382 HydrophobicContact CG2-CG2 4.3Å; L379-V382 WeakPolarHBondContact O-CB 3.31Å; L379-V382 WeakPolarHBondContact O-CG2 3.22Å; E380-V382 PolarHBondContact O-N 2.84Å; V382-G802 WeakPolarHBondContact O-CA 3.25Å; V382-I805 HydrophobicContact CG1-CG2 4.15Å
383	E	93.2	Very high	90.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-75.6	-35.9	179.1	-179.9	-81.7	162.1	0	0	111.4	I302 E380 A381 L385 G386 S387 I805 F806 R874	I302-E383 HydrophobicContact CB-CB 4.13Å; I302-E383 HydrophobicContact CB-CG 4.14Å; I302-E383 WeakPolarHBondContact CB-OE2 3.5Å; I302-E383 HydrophobicContact CD1-CG 4.35Å; I302-E383 HydrophobicContact CG2-CB 4.47Å; I302-E383 PolarHBondContact N-OE2 2.71Å; E380-E383 PolarHBondContact O-N 3.22Å; A381-E383 PolarHBondContact O-N 3.42Å; E383-L385 PolarHBondContact O-N 2.9Å; E383-G386 WeakPolarHBondContact O-CA 3.26Å; E383-G386 PolarHBondContact O-N 3.02Å; E383-S387 PolarHBondContact O-N 3.15Å; E383-S387 VanDerWaalsContact O-N 3.12Å; E383-S387 PolarHBondContact OE1-OG 2.96Å; E383-I805 HydrophobicContact CB-CG2 4.32Å; E383-F806 HydrophobicContact CG-CB 4.24Å; E383-F806 HydrophobicContact CG-CD2 4.02Å; E383-F806 WeakPolarHBondContact OE1-CD2 3.17Å; E383-R874 IonicContact OE1-CZ 3.08Å; E383-R874 IonicContact OE1-NE 3.44Å; E383-R874 PolarHBondContact OE1-NE 2.82Å; E383-R874 IonicContact OE1-NH2 3.39Å; E383-R874 PolarHBondContact OE1-NH2 3.01Å; E383-R874 IonicContact OE2-NH2 2.7Å
384	T	93.7	Very high	91.2	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-57.3	-37.4	-175.9	-54.5	0	0	0	0	111.9	P301 E380 A381 S387 T388 I748 D766 I767	P301-T384 WeakPolarHBondContact CD-OG1 3.31Å; P301-T384 HydrophobicContact CG-CG2 3.95Å; E380-T384 PolarHBondContact O-N 3.01Å; E380-T384 PolarHBondContact O-OG1 3.12Å; A381-T384 PolarHBondContact O-N 3.4Å; T384-S387 CarbonylContact O-C 3.44Å; T384-S387 PolarHBondContact O-N 2.77Å; T384-T388 PolarHBondContact O-N 3.14Å; T384-T388 PolarHBondContact O-OG1 3.04Å; T384-I748 HydrophobicContact CG2-CG2 4.09Å; T384-D766 HydrophobicContact CG2-CB 3.94Å; T384-D766 WeakPolarHBondContact CG2-O 3.29Å; T384-I767 HydrophobicContact CG2-CB 3.87Å; T384-I767 HydrophobicContact CG2-CG2 3.96Å
385	L	92.3	Very high	91.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-66.9	-35.9	176.2	-168.5	52.8	0	0	0	112.8	A381 E383 S387 T388 A750 I767 M785 I795 V799	A381-L385 PolarHBondContact O-N 2.84Å; E383-L385 PolarHBondContact O-N 2.9Å; L385-S387 VanDerWaalsContact C-N 3.29Å; L385-S387 PolarHBondContact O-N 3.47Å; L385-T388 WeakPolarHBondContact CA-OG1 3.38Å; L385-T388 VanDerWaalsContact O-CB 3.31Å; L385-T388 WeakPolarHBondContact O-CB 3.33Å; L385-T388 PolarHBondContact O-N 3.24Å; L385-T388 PolarHBondContact O-OG1 3.19Å; L385-A750 HydrophobicContact CD1-CB 4.38Å; L385-I767 HydrophobicContact CB-CD1 3.89Å; L385-I767 HydrophobicContact CD1-CD1 4.49Å; L385-M785 HydrophobicContact CD2-CE 3.81Å; L385-M785 HydrophobicContact CD2-SD 3.7Å; L385-I795 HydrophobicContact CD1-CG2 4.25Å; L385-V799 HydrophobicContact CD1-CG2 4.03Å; L385-V799 HydrophobicContact CG-CG2 3.93Å
386	G	92.4	Very high	91.2	Very high	3 Å²	3	11.8 Å²	11.8	3%	0.031	6%	0.064	C	C	.	.	H	α-helix	trans	-67.2	-30.5	173.5	0	0	0	0	0	114	E383 V799 R803	E383-G386 WeakPolarHBondContact O-CA 3.26Å; E383-G386 PolarHBondContact O-N 3.02Å; G386-V799 WeakPolarHBondContact CA-O 3.43Å; G386-R803 VanDerWaalsContact O-CG 3.26Å; G386-R803 WeakPolarHBondContact O-CG 3.15Å; G386-R803 PolarHBondContact O-NE 3.09Å
387	S	94	Very high	91.1	Very high	3 Å²	3	10.9 Å²	10.9	2%	0.021	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-4.3	177.2	-70.9	0	0	0	0	114.2	E383 T384 L385 S389 I748 R874	E383-S387 PolarHBondContact O-N 3.15Å; E383-S387 VanDerWaalsContact O-N 3.12Å; E383-S387 PolarHBondContact OE1-OG 2.96Å; T384-S387 CarbonylContact O-C 3.44Å; T384-S387 PolarHBondContact O-N 2.77Å; L385-S387 VanDerWaalsContact C-N 3.29Å; L385-S387 PolarHBondContact O-N 3.47Å; S387-S389 PolarHBondContact O-N 2.98Å; S387-I748 WeakPolarHBondContact O-CB 3.19Å; S387-R874 PolarHBondContact OG-NE 3.31Å
388	T	96.3	Very high	91.5	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.051	C	C	.	.			trans	-62.8	131	-179.9	-68.1	0	0	0	0	111.2	T384 L385 T390 I391 I648 A750 P873	T384-T388 PolarHBondContact O-N 3.14Å; T384-T388 PolarHBondContact O-OG1 3.04Å; L385-T388 WeakPolarHBondContact CA-OG1 3.38Å; L385-T388 VanDerWaalsContact O-CB 3.31Å; L385-T388 WeakPolarHBondContact O-CB 3.33Å; L385-T388 PolarHBondContact O-N 3.24Å; L385-T388 PolarHBondContact O-OG1 3.19Å; T388-T390 WeakPolarHBondContact CG2-O 3.37Å; T388-I391 HydrophobicContact CG2-CG1 3.94Å; T388-I648 HydrophobicContact CG2-CG2 4.42Å; T388-A750 HydrophobicContact CG2-CB 3.61Å; T388-P873 WeakPolarHBondContact O-CB 3.49Å; T388-P873 WeakPolarHBondContact O-CG 3.23Å
389	S	95.7	Very high	92	Very high	32 Å²	32	7.2 Å²	7.2	22%	0.224	4%	0.041	C	C	.	.			trans	-113	-20.4	176.2	57.9	0	0	0	0	113.8	S387 K649 A747 I748	S387-S389 PolarHBondContact O-N 2.98Å; S389-K649 PolarHBondContact O-N 3.34Å; S389-A747 WeakPolarHBondContact OG-CA 3.26Å; S389-A747 WeakPolarHBondContact OG-CB 3.41Å; S389-I748 PolarHBondContact N-O 2.93Å; S389-I748 PolarHBondContact OG-N 2.86Å; S389-I748 VanDerWaalsContact OG-N 3.11Å
390	T	96.6	Very high	92.4	Very high	12 Å²	12	5.9 Å²	5.9	7%	0.074	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	131.8	172.6	-57.8	0	0	0	0	110.6	T388 K649 I651 I748 V749 A750	T388-T390 WeakPolarHBondContact CG2-O 3.37Å; T390-K649 CarbonylContact C-O 3.57Å; T390-K649 VanDerWaalsContact CA-O 3.27Å; T390-K649 WeakPolarHBondContact CA-O 3.25Å; T390-K649 HydrophobicContact CG2-CB 4.46Å; T390-I651 HydrophobicContact CG2-CD1 3.76Å; T390-I651 HydrophobicContact CG2-CG1 4.17Å; T390-I748 PolarHBondContact N-O 3.09Å; T390-I748 VanDerWaalsContact N-O 3.15Å; T390-V749 WeakPolarHBondContact O-CA 3.2Å; T390-A750 PolarHBondContact O-N 3.37Å
391	I	97.1	Very high	92.4	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	120.6	167.8	-65.5	164.5	0	0	0	108	T388 C643 I648 K649 V650 I651 A750 T752 I795	T388-I391 HydrophobicContact CG2-CG1 3.94Å; I391-C643 HydrophobicContact CD1-CB 4.3Å; I391-I648 HydrophobicContact CB-CG2 4.47Å; I391-I648 HydrophobicContact CD1-CG2 3.78Å; I391-I648 HydrophobicContact CG1-CG2 3.78Å; I391-K649 PolarHBondContact N-O 3.47Å; I391-V650 WeakPolarHBondContact O-CA 3.4Å; I391-I651 PolarHBondContact O-N 3.25Å; I391-A750 WeakPolarHBondContact CA-O 3.41Å; I391-A750 HydrophobicContact CG1-CB 4.2Å; I391-T752 HydrophobicContact CG2-CG2 4.47Å; I391-I795 HydrophobicContact CD1-CG2 4.19Å
392	C	96.8	Very high	92.3	Very high	3 Å²	3	6.7 Å²	6.7	2%	0.02	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	129.1	164.4	-67.6	0	0	0	0	108.4	I651 V653 A750 V751 T752	C392-I651 CarbonylContact C-O 3.28Å; C392-I651 WeakPolarHBondContact CA-O 3.42Å; C392-V653 HydrophobicContact CB-CG2 4.18Å; C392-A750 PolarHBondContact N-O 2.91Å; C392-V751 HydrophobicContact CB-CG2 4.14Å; C392-V751 CarbonylContact O-C 3.56Å; C392-V751 WeakPolarHBondContact O-CA 3.43Å; C392-T752 PolarHBondContact O-N 3.35Å; C392-T752 PolarHBondContact O-OG1 2.92Å
393	S	95.5	Very high	92.1	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.007	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	129.1	-173.3	-157.8	0	0	0	0	111.5	L399 I651 M652 V653 T752	S393-L399 WeakPolarHBondContact OG-CG 3.25Å; S393-I651 PolarHBondContact N-O 3.29Å; S393-M652 CarbonylContact O-C 3.52Å; S393-M652 WeakPolarHBondContact O-CA 3.34Å; S393-V653 PolarHBondContact O-N 2.87Å; S393-T752 WeakPolarHBondContact CA-OG1 3.48Å; S393-T752 WeakPolarHBondContact CB-OG1 3.41Å; S393-T752 PolarHBondContact OG-OG1 3.44Å
394	D	93.6	Very high	91.9	Very high	2 Å²	2	12 Å²	12	1%	0.011	6%	0.062	C	C	.	.			trans	-68	154.8	165.1	-169.1	64	0	0	0	110.8	T396 T398 L399 V653 T654 K735 T752	D394-T396 PolarHBondContact OD2-N 3.19Å; D394-T398 WeakPolarHBondContact O-CB 3.21Å; D394-L399 WeakPolarHBondContact O-CG 3.46Å; D394-V653 VanDerWaalsContact OD1-O 3.09Å; D394-T654 WeakPolarHBondContact OD1-CA 3.39Å; D394-K735 VanDerWaalsContact CG-NZ 3.34Å; D394-K735 IonicContact OD1-NZ 2.94Å; D394-K735 PolarHBondContact OD1-NZ 2.78Å; D394-T752 PolarHBondContact N-O 3.43Å
395	K	91.3	Very high	91.7	Very high	9 Å²	9	12.6 Å²	12.6	4%	0.039	7%	0.066	C	C	.	.	I	π-helix	trans	-81.6	-56.6	178.6	-172.4	-133.2	63.4	157.6	0	111.2	L399 T400 D630 M652 T654 D656 I664	K395-L399 PolarHBondContact O-N 3.45Å; K395-T400 HydrophobicContact CD-CG2 4.37Å; K395-T400 HydrophobicContact CG-CG2 4.09Å; K395-T400 PolarHBondContact O-N 3.41Å; K395-T400 PolarHBondContact O-OG1 2.95Å; K395-D630 IonicContact NZ-OD2 3.9Å; K395-M652 HydrophobicContact CB-CE 4.35Å; K395-M652 HydrophobicContact CB-CG 4.38Å; K395-M652 HydrophobicContact CB-SD 4.05Å; K395-M652 HydrophobicContact CG-CE 4.06Å; K395-M652 HydrophobicContact CG-SD 4.1Å; K395-T654 HydrophobicContact CB-CG2 4.08Å; K395-T654 WeakPolarHBondContact CB-OG1 3.45Å; K395-D656 HydrophobicContact CD-CB 4.26Å; K395-D656 VanDerWaalsContact CD-OD2 3.32Å; K395-D656 WeakPolarHBondContact CD-OD2 3.43Å; K395-D656 VanDerWaalsContact CE-OD2 3.3Å; K395-D656 WeakPolarHBondContact CE-OD2 3.28Å; K395-D656 IonicContact NZ-OD2 3.82Å; K395-D656 PolarHBondContact NZ-OD2 3.24Å; K395-I664 HydrophobicContact CD-CB 4.47Å; K395-I664 HydrophobicContact CD-CG1 4.26Å; K395-I664 HydrophobicContact CG-CB 4.3Å; K395-I664 HydrophobicContact CG-CG2 3.94Å
396	T	87	Confident	91.7	Very high	6 Å²	6	12.8 Å²	12.8	4%	0.037	7%	0.067	C	C	.	.	I	π-helix	trans	-73.4	130.9	-168.4	-53.3	0	0	0	0	110	G237 D394 T398 T400 N402 D754	G237-T396 WeakPolarHBondContact O-CG2 3.2Å; D394-T396 PolarHBondContact OD2-N 3.19Å; T396-T398 PolarHBondContact O-N 3.46Å; T396-T400 VanDerWaalsContact CA-OG1 3.31Å; T396-T400 WeakPolarHBondContact CA-OG1 3.31Å; T396-N402 HydrophobicContact CG2-CB 4.04Å; T396-D754 VanDerWaalsContact O-OD1 3.05Å
397	G	85.1	Confident	91.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.067	C	C	.	.	I	π-helix	trans	67.3	-19.8	176.1	0	0	0	0	0	116.5	T400 R633	G397-T400 CarbonylContact C-O 3.33Å; G397-T400 VanDerWaalsContact CA-O 3.23Å; G397-T400 WeakPolarHBondContact CA-O 3.32Å; G397-T400 PolarHBondContact N-O 3.16Å; G397-T400 PolarHBondContact N-OG1 3.32Å; G397-T400 VanDerWaalsContact N-OG1 3.15Å; G397-R633 PolarHBondContact O-NE 2.95Å; G397-R633 PolarHBondContact O-NH2 2.73Å
398	T	91	Very high	91.6	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.073	C	C	.	.	I	π-helix	trans	-92.3	-66.3	176.9	-60.3	0	0	0	0	110.4	D394 T396 G753 D754 M771 F792	D394-T398 WeakPolarHBondContact O-CB 3.21Å; T396-T398 PolarHBondContact O-N 3.46Å; T398-G753 VanDerWaalsContact OG1-CA 3.28Å; T398-G753 WeakPolarHBondContact OG1-CA 3.3Å; T398-D754 PolarHBondContact OG1-N 3.36Å; T398-M771 HydrophobicContact CG2-SD 4.42Å; T398-F792 HydrophobicContact CG2-CE2 4.43Å
399	L	92.8	Very high	91.4	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.074	C	C	.	.	I	π-helix	trans	-83.1	-35	173.7	-65.8	171.2	0	0	0	111.8	S393 D394 K395 P632 R633 V636 M652 I670 F792	S393-L399 WeakPolarHBondContact OG-CG 3.25Å; D394-L399 WeakPolarHBondContact O-CG 3.46Å; K395-L399 PolarHBondContact O-N 3.45Å; L399-P632 WeakPolarHBondContact O-CA 3.32Å; L399-R633 PolarHBondContact O-N 3.08Å; L399-V636 HydrophobicContact CB-CG1 4.34Å; L399-V636 HydrophobicContact CD2-CG1 3.56Å; L399-M652 HydrophobicContact CD1-CE 3.81Å; L399-I670 HydrophobicContact CD1-CD1 3.95Å; L399-F792 HydrophobicContact CD2-CD2 4.08Å; L399-F792 HydrophobicContact CD2-CE2 3.68Å; L399-F792 HydrophobicContact CD2-CZ 3.95Å
400	T	91.6	Very high	91.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.064	C	C	.	.	B	Isolated β-bridge	trans	-99.4	172.9	176.8	67.2	0	0	0	0	112.5	K395 T396 G397 N402 D630 P631 R633 I664	K395-T400 HydrophobicContact CD-CG2 4.37Å; K395-T400 HydrophobicContact CG-CG2 4.09Å; K395-T400 PolarHBondContact O-N 3.41Å; K395-T400 PolarHBondContact O-OG1 2.95Å; T396-T400 VanDerWaalsContact CA-OG1 3.31Å; T396-T400 WeakPolarHBondContact CA-OG1 3.31Å; G397-T400 CarbonylContact C-O 3.33Å; G397-T400 VanDerWaalsContact CA-O 3.23Å; G397-T400 WeakPolarHBondContact CA-O 3.32Å; G397-T400 PolarHBondContact N-O 3.16Å; G397-T400 PolarHBondContact N-OG1 3.32Å; G397-T400 VanDerWaalsContact N-OG1 3.15Å; T400-N402 VanDerWaalsContact C-N 3.32Å; T400-D630 VanDerWaalsContact CB-CG 3.47Å; T400-D630 WeakPolarHBondContact CB-OD2 3.2Å; T400-D630 WeakPolarHBondContact CG2-O 3.24Å; T400-D630 VanDerWaalsContact OG1-CG 3.25Å; T400-D630 PolarHBondContact OG1-OD1 3.02Å; T400-D630 PolarHBondContact OG1-OD2 3.43Å; T400-P631 CarbonylContact C-O 3.58Å; T400-P631 WeakPolarHBondContact CA-O 3.49Å; T400-P631 VanDerWaalsContact CB-O 3.26Å; T400-P631 WeakPolarHBondContact CB-O 3.46Å; T400-R633 PolarHBondContact O-NE 3.37Å; T400-R633 VanDerWaalsContact O-NE 3.07Å; T400-I664 HydrophobicContact CG2-CD1 4.26Å; T400-I664 HydrophobicContact CG2-CG1 4.4Å; T400-I664 HydrophobicContact CG2-CG2 3.93Å
401	Q	87.7	Confident	91	Very high	14 Å²	14	12.9 Å²	12.9	7%	0.065	6%	0.062	C	C	.	.			trans	-82.4	-5.2	-177.5	-62.1	175.7	35.2	0	0	113.8	R403 T420 E422 D630 P631 P632 R633	Q401-R403 HydrophobicContact CB-CB 4.31Å; Q401-R403 PolarHBondContact O-N 2.98Å; Q401-T420 PolarHBondContact NE2-O 3.32Å; Q401-E422 VanDerWaalsContact CD-CG 3.46Å; Q401-E422 HydrophobicContact CG-CG 3.98Å; Q401-D630 PolarHBondContact N-OD1 3.5Å; Q401-P631 HydrophobicContact CG-CG 4.39Å; Q401-P631 PolarHBondContact N-O 2.88Å; Q401-P632 PolarHBondContact NE2-O 3.43Å; Q401-R633 HydrophobicContact CG-CG 3.9Å
402	N	85.2	Confident	90.6	Very high	56 Å²	56	14 Å²	14	30%	0.299	7%	0.068	S	C	.	.	S	Bend	trans	49.7	44.4	-167.1	-163	-6.7	0	0	0	111.5	S239 T396 T400 D630	S239-N402 PolarHBondContact OG-OD1 3.36Å; T396-N402 HydrophobicContact CG2-CB 4.04Å; T400-N402 VanDerWaalsContact C-N 3.32Å; N402-D630 VanDerWaalsContact CA-OD1 3.26Å; N402-D630 WeakPolarHBondContact CA-OD1 3.26Å; N402-D630 PolarHBondContact N-OD1 3.1Å
403	R	85.1	Confident	90.2	Very high	61 Å²	61	16.8 Å²	16.8	23%	0.23	8%	0.083	C	C	.	.	S	Bend	trans	-148.7	109.6	-176.8	-176.7	179.8	-63.6	140.7	2.5	110.9	Q401 T405 L461 D630 P631	Q401-R403 HydrophobicContact CB-CB 4.31Å; Q401-R403 PolarHBondContact O-N 2.98Å; R403-T405 PolarHBondContact O-N 3.1Å; R403-T405 VanDerWaalsContact O-N 3.16Å; R403-T405 PolarHBondContact O-OG1 2.84Å; R403-L461 WeakPolarHBondContact CD-O 3.45Å; R403-L461 PolarHBondContact NE-O 3.09Å; R403-L461 VanDerWaalsContact NE-O 3.13Å; R403-L461 PolarHBondContact NH1-O 3.41Å; R403-D630 PolarHBondContact N-OD1 3.25Å; R403-P631 WeakPolarHBondContact O-CD 3.36Å
404	M	88.5	Confident	89.9	Confident	50 Å²	50	23 Å²	23	25%	0.246	11%	0.112	C	C	.	.			trans	-53.9	122.3	168.5	-163.1	60.1	58.3	0	0	110.1	A469 A473 M628 I629	M404-A469 HydrophobicContact CB-CB 4.05Å; M404-A473 HydrophobicContact CB-CB 4.22Å; M404-A473 HydrophobicContact CG-CB 4.01Å; M404-A473 WeakPolarHBondContact O-CB 3.36Å; M404-M628 HydrophobicContact CG-CB 4.02Å; M404-M628 HydrophobicContact CG-CG 3.85Å; M404-M628 HydrophobicContact CG-SD 3.73Å; M404-M628 HydrophobicContact SD-CB 3.85Å; M404-M628 HydrophobicContact SD-CG 3.63Å; M404-M628 HydrophobicContact SD-SD 4.26Å; M404-I629 WeakPolarHBondContact CA-O 3.4Å
405	T	91.1	Very high	89.7	Confident	12 Å²	12	25.2 Å²	25.2	7%	0.074	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	142.3	-173.4	-55.5	0	0	0	0	108.1	R403 A407 T420 M628 I629	R403-T405 PolarHBondContact O-N 3.1Å; R403-T405 VanDerWaalsContact O-N 3.16Å; R403-T405 PolarHBondContact O-OG1 2.84Å; T405-A407 PolarHBondContact O-N 2.88Å; T405-T420 HydrophobicContact CG2-CG2 4.49Å; T405-M628 CarbonylContact O-C 3.51Å; T405-M628 WeakPolarHBondContact O-CA 3.33Å; T405-M628 VanDerWaalsContact O-CB 3.29Å; T405-M628 WeakPolarHBondContact O-CB 3.41Å; T405-I629 PolarHBondContact N-O 2.84Å; T405-I629 PolarHBondContact O-N 2.91Å
406	V	92.5	Very high	89.6	Confident	4 Å²	4	25.8 Å²	25.8	2%	0.024	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	129.8	176.7	172.8	0	0	0	0	109.3	M409 A418 L474 C477 I626 S627	V406-M409 HydrophobicContact CG1-CE 3.75Å; V406-M409 HydrophobicContact CG1-CG 4.34Å; V406-A418 HydrophobicContact CG1-CB 4.3Å; V406-L474 HydrophobicContact CG2-CD2 4.13Å; V406-C477 HydrophobicContact CB-CB 3.98Å; V406-C477 HydrophobicContact CG2-CB 3.67Å; V406-I626 HydrophobicContact CB-CG2 4.28Å; V406-I626 HydrophobicContact CG1-CG2 3.44Å; V406-I626 VanDerWaalsContact CG1-CG2 3.44Å; V406-I626 HydrophobicContact CG2-CG2 3.86Å; V406-S627 WeakPolarHBondContact CA-O 3.45Å
407	A	91.2	Very high	89.6	Confident	4 Å²	4	32.2 Å²	32.2	3%	0.033	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	-50	-173.8	0	0	0	0	0	112.1	T405 A418 T420 E587 S627 I629	T405-A407 PolarHBondContact O-N 2.88Å; A407-A418 PolarHBondContact O-N 3.17Å; A407-T420 HydrophobicContact CB-CG2 4.09Å; A407-E587 WeakPolarHBondContact CB-OE1 3.37Å; A407-S627 PolarHBondContact N-O 3.47Å; A407-I629 HydrophobicContact CB-CG2 3.9Å
408	H	92.5	Very high	89.7	Confident	32 Å²	32	33.1 Å²	33.1	15%	0.148	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	158.3	174.5	-57.7	88.4	0	0	0	112	V415 I416 L582 E587 S627	H408-V415 HydrophobicContact CB-CG1 4.04Å; H408-I416 CarbonylContact C-O 3.53Å; H408-I416 VanDerWaalsContact CA-O 3.25Å; H408-I416 WeakPolarHBondContact CA-O 3.22Å; H408-L582 HydrophobicContact CB-CD2 3.63Å; H408-E587 IonicContact CE1-OE1 3.34Å; H408-E587 PolarHBondContact CE1-OE1 3.24Å; H408-E587 IonicContact CG-OE2 2.67Å; H408-E587 VanDerWaalsContact ND1-CD 3.31Å; H408-E587 IonicContact ND1-OE1 3.17Å; H408-E587 PolarHBondContact ND1-OE1 2.85Å; H408-E587 IonicContact ND1-OE2 2.75Å; H408-E587 PolarHBondContact ND1-OE2 2.92Å; H408-S627 WeakPolarHBondContact CB-OG 3.4Å; H408-S627 PolarHBondContact N-OG 3.29Å; H408-S627 VanDerWaalsContact N-OG 3.09Å; H408-S627 PolarHBondContact O-N 3.12Å; H408-S627 PolarHBondContact O-OG 3.03Å
409	M	92.3	Very high	89.4	Confident	3 Å²	3	34.5 Å²	34.5	2%	0.015	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	143.3	169.3	-55.8	-175.1	-170	0	0	108.9	V406 F411 V415 I416 F436 C477 M478 L625 I626	V406-M409 HydrophobicContact CG1-CE 3.75Å; V406-M409 HydrophobicContact CG1-CG 4.34Å; M409-F411 HydrophobicContact CB-CD1 4.02Å; M409-F411 HydrophobicContact CB-CE1 4.03Å; M409-F411 HydrophobicContact SD-CE1 4.49Å; M409-V415 WeakPolarHBondContact O-CA 3.3Å; M409-I416 PolarHBondContact N-O 3.09Å; M409-I416 PolarHBondContact O-N 3.14Å; M409-F436 HydrophobicContact CE-CE2 4.4Å; M409-F436 HydrophobicContact SD-CD2 4.33Å; M409-F436 HydrophobicContact SD-CE2 3.72Å; M409-C477 WeakPolarHBondContact CE-SG 3.44Å; M409-M478 HydrophobicContact CE-CE 4.17Å; M409-L625 CarbonylContact C-O 3.5Å; M409-L625 WeakPolarHBondContact CA-O 3.41Å; M409-I626 HydrophobicContact CG-CG1 4.24Å; M409-I626 HydrophobicContact CG-CG2 4.27Å
410	W	93.3	Very high	89.1	Confident	7 Å²	7	36.1 Å²	36.1	3%	0.027	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	115.3	171.3	-178.8	70.7	0	0	0	109.6	E414 V415 I558 W571 K574 F575 A578 F622 G624 L625	W410-E414 WeakPolarHBondContact CA-O 3.31Å; W410-E414 VanDerWaalsContact CD1-O 3.24Å; W410-V415 HydrophobicContact CG-CG2 4.47Å; W410-I558 HydrophobicContact CH2-CD1 3.98Å; W410-I558 HydrophobicContact CZ3-CD1 4.18Å; W410-W571 HydrophobicContact CH2-CE3 4.39Å; W410-W571 HydrophobicContact CH2-CZ3 4.42Å; W410-W571 HydrophobicContact CZ2-CZ3 4.34Å; W410-K574 HydrophobicContact CZ2-CB 4.44Å; W410-F575 HydrophobicContact CH2-CB 4.17Å; W410-F575 HydrophobicContact CZ3-CB 4.38Å; W410-F575 HydrophobicContact CZ3-CD2 4.14Å; W410-A578 HydrophobicContact CD2-CB 3.93Å; W410-A578 HydrophobicContact CG-CB 3.89Å; W410-F622 HydrophobicContact CE3-CE1 4.12Å; W410-F622 HydrophobicContact CZ3-CD1 4.42Å; W410-F622 AromaticContact CZ3-CE1 3.7Å; W410-F622 HydrophobicContact CZ3-CE1 3.7Å; W410-F622 HydrophobicContact CZ3-CZ 4.47Å; W410-G624 CarbonylContact O-C 3.56Å; W410-G624 WeakPolarHBondContact O-CA 3.37Å; W410-L625 HydrophobicContact CB-CB 4.04Å; W410-L625 HydrophobicContact CB-CD1 4.4Å; W410-L625 HydrophobicContact CB-CG 4.47Å; W410-L625 HydrophobicContact CE3-CD1 4.11Å; W410-L625 HydrophobicContact CE3-CG 4.04Å; W410-L625 PolarHBondContact N-O 2.94Å; W410-L625 PolarHBondContact O-N 2.85Å
411	F	90.8	Very high	88.6	Confident	6 Å²	6	36.7 Å²	36.7	3%	0.026	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	160.3	173.9	61	-93.7	0	0	0	109.3	M409 D413 E414 I416 T435 F436 L439	M409-F411 HydrophobicContact CB-CD1 4.02Å; M409-F411 HydrophobicContact CB-CE1 4.03Å; M409-F411 HydrophobicContact SD-CE1 4.49Å; F411-D413 PolarHBondContact O-N 3.4Å; F411-E414 PolarHBondContact N-O 2.89Å; F411-E414 PolarHBondContact O-N 2.95Å; F411-I416 HydrophobicContact CD1-CD1 4.22Å; F411-I416 HydrophobicContact CD2-CD1 4.31Å; F411-I416 HydrophobicContact CE1-CD1 3.56Å; F411-I416 HydrophobicContact CE2-CD1 3.66Å; F411-I416 HydrophobicContact CZ-CD1 3.25Å; F411-T435 HydrophobicContact CB-CG2 3.92Å; F411-F436 HydrophobicContact CD1-CD2 4.49Å; F411-F436 HydrophobicContact CE1-CB 4.42Å; F411-F436 AromaticContact CE1-CD2 3.64Å; F411-F436 HydrophobicContact CE1-CD2 3.64Å; F411-F436 HydrophobicContact CE1-CE2 4.43Å; F411-F436 HydrophobicContact CE1-CG 4.45Å; F411-F436 HydrophobicContact CE2-CB 3.88Å; F411-F436 HydrophobicContact CZ-CB 3.81Å; F411-F436 AromaticContact CZ-CD2 3.65Å; F411-F436 HydrophobicContact CZ-CD2 3.65Å; F411-F436 HydrophobicContact CZ-CG 4.05Å; F411-L439 HydrophobicContact CB-CD2 4.35Å; F411-L439 HydrophobicContact CD1-CD2 3.84Å; F411-L439 HydrophobicContact CG-CD2 4.41Å
412	D	89	Confident	88.1	Confident	23 Å²	23	37.7 Å²	37.7	12%	0.123	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	28.1	-176.6	-60.6	-33.3	0	0	0	114.7	E414 S433 T435 C560 Q561	D412-E414 PolarHBondContact O-N 3.06Å; D412-S433 WeakPolarHBondContact OD2-CB 3.34Å; D412-S433 PolarHBondContact OD2-OG 3.47Å; D412-T435 VanDerWaalsContact OD1-CB 3.29Å; D412-T435 WeakPolarHBondContact OD1-CB 3.31Å; D412-T435 PolarHBondContact OD1-OG1 2.97Å; D412-C560 VanDerWaalsContact OD1-CA 3.3Å; D412-C560 WeakPolarHBondContact OD1-CA 3.49Å; D412-Q561 HydrophobicContact CB-CG 4.25Å; D412-Q561 PolarHBondContact OD1-N 2.93Å
413	D	87	Confident	87.7	Confident	63 Å²	63	42.2 Å²	42.2	34%	0.337	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	7.6	-173.5	-151	20.6	0	0	0	115.9	F411 W571 K574	F411-D413 PolarHBondContact O-N 3.4Å; D413-W571 HydrophobicContact CB-CH2 4.01Å; D413-W571 HydrophobicContact CB-CZ3 3.96Å; D413-K574 WeakPolarHBondContact OD2-CD 3.19Å; D413-K574 VanDerWaalsContact OD2-CE 3.28Å; D413-K574 WeakPolarHBondContact OD2-CE 3.45Å; D413-K574 IonicContact OD2-NZ 2.72Å; D413-K574 PolarHBondContact OD2-NZ 3.49Å
414	E	89.4	Confident	87.1	Confident	130 Å²	130	42.7 Å²	42.7	61%	0.607	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	145.7	179	-63.7	-167.6	164.4	0	0	112.3	W410 F411 D412 I416	W410-E414 WeakPolarHBondContact CA-O 3.31Å; W410-E414 VanDerWaalsContact CD1-O 3.24Å; F411-E414 PolarHBondContact N-O 2.89Å; F411-E414 PolarHBondContact O-N 2.95Å; D412-E414 PolarHBondContact O-N 3.06Å; E414-I416 HydrophobicContact CB-CG1 4.48Å
415	V	89.3	Confident	86	Confident	50 Å²	50	44.9 Å²	44.9	30%	0.303	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	115.6	171.3	179	0	0	0	0	108.1	H408 M409 W410 L582	H408-V415 HydrophobicContact CB-CG1 4.04Å; M409-V415 WeakPolarHBondContact O-CA 3.3Å; W410-V415 HydrophobicContact CG-CG2 4.47Å; V415-L582 HydrophobicContact CG1-CD2 4.02Å
416	I	88.4	Confident	84.7	Confident	21 Å²	21	47.8 Å²	47.8	11%	0.108	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.9	-174	-68.1	157.4	0	0	0	108.8	H408 M409 F411 E414 L429 N431	H408-I416 CarbonylContact C-O 3.53Å; H408-I416 VanDerWaalsContact CA-O 3.25Å; H408-I416 WeakPolarHBondContact CA-O 3.22Å; M409-I416 PolarHBondContact N-O 3.09Å; M409-I416 PolarHBondContact O-N 3.14Å; F411-I416 HydrophobicContact CD1-CD1 4.22Å; F411-I416 HydrophobicContact CD2-CD1 4.31Å; F411-I416 HydrophobicContact CE1-CD1 3.56Å; F411-I416 HydrophobicContact CE2-CD1 3.66Å; F411-I416 HydrophobicContact CZ-CD1 3.25Å; E414-I416 HydrophobicContact CB-CG1 4.48Å; I416-L429 HydrophobicContact CG2-CD1 3.6Å; I416-L429 HydrophobicContact CG2-CD2 4.02Å; I416-L429 HydrophobicContact CG2-CG 4.22Å; I416-N431 WeakPolarHBondContact CD1-ND2 3.48Å
417	E	87.9	Confident	83.2	Confident	141 Å²	141	53.5 Å²	53.5	66%	0.659	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	137.2	178.8	-170.8	175.4	-178.2	0	0	110.6
418	A	86.6	Confident	81.7	Confident	18 Å²	18	57.5 Å²	57.5	15%	0.149	33%	0.326	C	S	.	.			trans	-105.2	152.2	176.7	0	0	0	0	0	110.7	V406 A407 T420	V406-A418 HydrophobicContact CG1-CB 4.3Å; A407-A418 PolarHBondContact O-N 3.17Å; A418-T420 PolarHBondContact O-N 3.13Å; A418-T420 VanDerWaalsContact O-N 3.09Å
419	D	86.2	Confident	80.4	Confident	29 Å²	29	58.5 Å²	58.5	16%	0.155	33%	0.332	C	S	.	.			trans	-71.7	108.3	179.9	-169	-13.2	0	0	0	111.9	S421 Q424 S425 C426	D419-S421 VanDerWaalsContact CG-OG 3.3Å; D419-S421 WeakPolarHBondContact OD1-CA 3.36Å; D419-S421 WeakPolarHBondContact OD1-CB 3.46Å; D419-S421 PolarHBondContact OD1-N 3.07Å; D419-S421 PolarHBondContact OD1-OG 2.9Å; D419-S421 PolarHBondContact OD2-OG 3.09Å; D419-Q424 PolarHBondContact O-NE2 3.47Å; D419-Q424 WeakPolarHBondContact OD2-CA 3.44Å; D419-S425 PolarHBondContact OD2-N 2.86Å; D419-C426 HydrophobicContact CB-CB 3.98Å; D419-C426 VanDerWaalsContact OD2-CB 3.32Å; D419-C426 WeakPolarHBondContact OD2-CB 3.33Å; D419-C426 PolarHBondContact OD2-N 2.87Å
420	T	85.2	Confident	78.6	Confident	34 Å²	34	67.2 Å²	67.2	21%	0.209	37%	0.373	C	S	.	.			trans	-89.5	0.1	178.2	56.6	0	0	0	0	114.1	Q401 T405 A407 A418 P631	Q401-T420 PolarHBondContact NE2-O 3.32Å; T405-T420 HydrophobicContact CG2-CG2 4.49Å; A407-T420 HydrophobicContact CB-CG2 4.09Å; A418-T420 PolarHBondContact O-N 3.13Å; A418-T420 VanDerWaalsContact O-N 3.09Å; T420-P631 HydrophobicContact CG2-CB 4.16Å
421	S	81.4	Confident	77	Confident	12 Å²	12	70.1 Å²	70.1	8%	0.084	39%	0.389	C	S	.	.	S	Bend	trans	-76.1	142.8	-176.4	72.1	0	0	0	0	113.1	D419 H423 Q424 S425 L461	D419-S421 VanDerWaalsContact CG-OG 3.3Å; D419-S421 WeakPolarHBondContact OD1-CA 3.36Å; D419-S421 WeakPolarHBondContact OD1-CB 3.46Å; D419-S421 PolarHBondContact OD1-N 3.07Å; D419-S421 PolarHBondContact OD1-OG 2.9Å; D419-S421 PolarHBondContact OD2-OG 3.09Å; S421-H423 PolarHBondContact O-N 2.84Å; S421-Q424 PolarHBondContact O-N 2.71Å; S421-Q424 PolarHBondContact O-NE2 3.05Å; S421-Q424 VanDerWaalsContact O-NE2 3.09Å; S421-Q424 WeakPolarHBondContact OG-CA 3.32Å; S421-Q424 PolarHBondContact OG-N 3.46Å; S421-Q424 VanDerWaalsContact OG-N 3.12Å; S421-S425 PolarHBondContact OG-N 2.82Å; S421-S425 VanDerWaalsContact OG-N 3.11Å; S421-S425 PolarHBondContact OG-OG 2.85Å; S421-L461 WeakPolarHBondContact O-CD1 3.22Å
422	E	77.7	Confident	75.5	Confident	36 Å²	36	75.9 Å²	75.9	17%	0.168	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-22.9	177.7	-73	-164.4	-140.7	0	0	114.3	Q401 K462 R633	Q401-E422 VanDerWaalsContact CD-CG 3.46Å; Q401-E422 HydrophobicContact CG-CG 3.98Å; E422-K462 VanDerWaalsContact OE2-CE 3.31Å; E422-K462 WeakPolarHBondContact OE2-CE 3.19Å; E422-K462 IonicContact OE2-NZ 3.96Å; E422-K462 PolarHBondContact OE2-NZ 3.4Å; E422-R633 IonicContact OE1-NH1 3.1Å; E422-R633 PolarHBondContact OE1-NH1 3.09Å; E422-R633 VanDerWaalsContact OE1-NH1 3.13Å
423	H	75.8	Confident	75	Confident	150 Å²	150	76 Å²	76	69%	0.694	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.1	-1.2	-171.8	-64.1	-56	0	0	0	114.2	S421	S421-H423 PolarHBondContact O-N 2.84Å
424	Q	73.4	Confident	74.9	Confident	72 Å²	72	75 Å²	75	34%	0.336	43%	0.431	S	S	.	.			trans	53.2	61.8	-175.7	-61.2	-69.6	-84.3	0	0	112.5	D419 S421 L461 L480	D419-Q424 PolarHBondContact O-NE2 3.47Å; D419-Q424 WeakPolarHBondContact OD2-CA 3.44Å; S421-Q424 PolarHBondContact O-N 2.71Å; S421-Q424 PolarHBondContact O-NE2 3.05Å; S421-Q424 VanDerWaalsContact O-NE2 3.09Å; S421-Q424 WeakPolarHBondContact OG-CA 3.32Å; S421-Q424 PolarHBondContact OG-N 3.46Å; S421-Q424 VanDerWaalsContact OG-N 3.12Å; Q424-L461 HydrophobicContact CG-CD1 4.27Å; Q424-L480 HydrophobicContact CG-CD2 4.46Å
425	S	66.4	Low	74.8	Confident	95 Å²	95	69 Å²	69	66%	0.664	40%	0.403	S	S	*	.			trans	-83.8	-13.4	-177	50.5	0	0	0	0	115.4	D419 S421	D419-S425 PolarHBondContact OD2-N 2.86Å; S421-S425 PolarHBondContact OG-N 2.82Å; S421-S425 VanDerWaalsContact OG-N 3.11Å; S421-S425 PolarHBondContact OG-OG 2.85Å
426	C	63.4	Low	74.7	Confident	74 Å²	74	67.3 Å²	67.3	50%	0.5	39%	0.391	S	S	.	.	S	Bend	trans	-91.3	155.4	178.2	-65.4	0	0	0	0	110.9	D419	D419-C426 HydrophobicContact CB-CB 3.98Å; D419-C426 VanDerWaalsContact OD2-CB 3.32Å; D419-C426 WeakPolarHBondContact OD2-CB 3.33Å; D419-C426 PolarHBondContact OD2-N 2.87Å
427	P	60.2	Low	74.6	Confident	123 Å²	123	70.2 Å²	70.2	80%	0.799	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-60.1	141.5	176.3	25.1	-34.1	0	0	0	111
428	A	60.1	Low	74.6	Confident	89 Å²	89	64 Å²	64	74%	0.736	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-59.9	154.1	174.3	0	0	0	0	0	111.3	E430	A428-E430 PolarHBondContact O-N 2.91Å
429	L	64.4	Low	74.8	Confident	53 Å²	53	63.1 Å²	63.1	28%	0.277	37%	0.373	S	S	.	.			trans	-72	85.7	-174.3	-145.1	80	0	0	0	111.6	I416 N431 F436	I416-L429 HydrophobicContact CG2-CD1 3.6Å; I416-L429 HydrophobicContact CG2-CD2 4.02Å; I416-L429 HydrophobicContact CG2-CG 4.22Å; L429-N431 PolarHBondContact O-N 2.78Å; L429-F436 HydrophobicContact CD2-CD2 4.41Å; L429-F436 HydrophobicContact CD2-CE2 3.81Å; L429-F436 HydrophobicContact CD2-CZ 4.04Å
430	E	54.8	Low	74.9	Confident	186 Å²	186	61.8 Å²	61.8	87%	0.869	37%	0.366	S	S	*	.			trans	-72.9	45	177.9	-69	-166.2	152	0	0	113.7	A428	A428-E430 PolarHBondContact O-N 2.91Å
431	N	59.1	Low	75	Confident	67 Å²	67	62.6 Å²	62.6	36%	0.358	37%	0.365	S	S	.	.			trans	-102.1	94.2	-179.3	-79.4	-11.4	0	0	0	111.7	I416 L429 S433	I416-N431 WeakPolarHBondContact CD1-ND2 3.48Å; L429-N431 PolarHBondContact O-N 2.78Å; N431-S433 PolarHBondContact O-N 3.07Å
432	S	59.4	Low	75.4	Confident	127 Å²	127	62 Å²	62	89%	0.888	36%	0.361	S	S	*	.			trans	-72.6	29.9	178.7	-47.3	0	0	0	0	114.5
433	S	78.4	Confident	75.9	Confident	25 Å²	25	60.3 Å²	60.3	18%	0.175	35%	0.353	C	S	.	.			trans	-80.2	131.9	-179	178.5	0	0	0	0	111.1	D412 N431 T435 F436 D437	D412-S433 WeakPolarHBondContact OD2-CB 3.34Å; D412-S433 PolarHBondContact OD2-OG 3.47Å; N431-S433 PolarHBondContact O-N 3.07Å; S433-T435 PolarHBondContact O-N 3.22Å; S433-T435 WeakPolarHBondContact OG-CB 3.45Å; S433-T435 PolarHBondContact OG-N 2.99Å; S433-F436 WeakPolarHBondContact O-CA 3.41Å; S433-F436 WeakPolarHBondContact O-CB 3.49Å; S433-F436 PolarHBondContact O-N 3.22Å; S433-D437 PolarHBondContact O-N 2.79Å; S433-D437 VanDerWaalsContact O-N 3.12Å
434	S	84.6	Confident	76.5	Confident	44 Å²	44	53.3 Å²	53.3	31%	0.308	32%	0.321	S	S	.	.	H	α-helix	trans	-62.2	-25.2	172.9	64.6	0	0	0	0	112.9	F436 D437 A438 D562	S434-F436 VanDerWaalsContact C-N 3.31Å; S434-D437 PolarHBondContact O-N 3.06Å; S434-A438 WeakPolarHBondContact O-CB 3.43Å; S434-A438 PolarHBondContact O-N 3.11Å; S434-D562 WeakPolarHBondContact CB-OD1 3.41Å; S434-D562 PolarHBondContact OG-OD1 3.47Å
435	T	87.8	Confident	77.2	Confident	3 Å²	3	50 Å²	50	2%	0.018	31%	0.305	C	S	.	.	H	α-helix	trans	-63.8	-39	171.6	-48.7	0	0	0	0	110.7	F411 D412 S433 A438 L439 A559	F411-T435 HydrophobicContact CB-CG2 3.92Å; D412-T435 VanDerWaalsContact OD1-CB 3.29Å; D412-T435 WeakPolarHBondContact OD1-CB 3.31Å; D412-T435 PolarHBondContact OD1-OG1 2.97Å; S433-T435 PolarHBondContact O-N 3.22Å; S433-T435 WeakPolarHBondContact OG-CB 3.45Å; S433-T435 PolarHBondContact OG-N 2.99Å; T435-A438 PolarHBondContact O-N 2.91Å; T435-L439 VanDerWaalsContact O-CB 3.28Å; T435-L439 WeakPolarHBondContact O-CB 3.43Å; T435-L439 PolarHBondContact O-N 2.94Å; T435-A559 HydrophobicContact CG2-CB 4.05Å
436	F	88.1	Confident	78.1	Confident	14 Å²	14	45.4 Å²	45.4	6%	0.061	27%	0.274	C	S	.	.	H	α-helix	trans	-70.3	-39.9	175.4	-179.8	-103.5	0	0	0	112.3	M409 F411 L429 S433 S434 A438 L439 S440	M409-F436 HydrophobicContact CE-CE2 4.4Å; M409-F436 HydrophobicContact SD-CD2 4.33Å; M409-F436 HydrophobicContact SD-CE2 3.72Å; F411-F436 HydrophobicContact CD1-CD2 4.49Å; F411-F436 HydrophobicContact CE1-CB 4.42Å; F411-F436 AromaticContact CE1-CD2 3.64Å; F411-F436 HydrophobicContact CE1-CD2 3.64Å; F411-F436 HydrophobicContact CE1-CE2 4.43Å; F411-F436 HydrophobicContact CE1-CG 4.45Å; F411-F436 HydrophobicContact CE2-CB 3.88Å; F411-F436 HydrophobicContact CZ-CB 3.81Å; F411-F436 AromaticContact CZ-CD2 3.65Å; F411-F436 HydrophobicContact CZ-CD2 3.65Å; F411-F436 HydrophobicContact CZ-CG 4.05Å; L429-F436 HydrophobicContact CD2-CD2 4.41Å; L429-F436 HydrophobicContact CD2-CE2 3.81Å; L429-F436 HydrophobicContact CD2-CZ 4.04Å; S433-F436 WeakPolarHBondContact O-CA 3.41Å; S433-F436 WeakPolarHBondContact O-CB 3.49Å; S433-F436 PolarHBondContact O-N 3.22Å; S434-F436 VanDerWaalsContact C-N 3.31Å; F436-A438 VanDerWaalsContact C-N 3.29Å; F436-A438 PolarHBondContact O-N 3.33Å; F436-L439 PolarHBondContact O-N 2.96Å; F436-S440 VanDerWaalsContact O-CB 3.29Å; F436-S440 WeakPolarHBondContact O-CB 3.38Å; F436-S440 PolarHBondContact O-N 3.05Å; F436-S440 PolarHBondContact O-OG 3.24Å
437	D	86.3	Confident	79.2	Confident	83 Å²	83	42 Å²	42	44%	0.444	25%	0.25	S	S	.	.	H	α-helix	trans	-61.6	-36.9	173.2	-77.6	-11.7	0	0	0	112.3	S433 S434 S440 R441	S433-D437 PolarHBondContact O-N 2.79Å; S433-D437 VanDerWaalsContact O-N 3.12Å; S434-D437 PolarHBondContact O-N 3.06Å; D437-S440 WeakPolarHBondContact CA-OG 3.36Å; D437-S440 PolarHBondContact O-OG 2.92Å; D437-R441 VanDerWaalsContact O-CB 3.27Å; D437-R441 WeakPolarHBondContact O-CB 3.43Å; D437-R441 PolarHBondContact O-N 3.28Å
438	A	87.6	Confident	80.3	Confident	9 Å²	9	40.8 Å²	40.8	7%	0.074	23%	0.233	C	C	.	.	H	α-helix	trans	-70.4	-46.7	173.3	0	0	0	0	0	111.7	S434 T435 F436 S440 R441 V442 L623	S434-A438 WeakPolarHBondContact O-CB 3.43Å; S434-A438 PolarHBondContact O-N 3.11Å; T435-A438 PolarHBondContact O-N 2.91Å; F436-A438 VanDerWaalsContact C-N 3.29Å; F436-A438 PolarHBondContact O-N 3.33Å; A438-S440 PolarHBondContact O-N 3.18Å; A438-R441 WeakPolarHBondContact O-CB 3.48Å; A438-R441 PolarHBondContact O-N 3.03Å; A438-V442 WeakPolarHBondContact O-CG2 3.21Å; A438-V442 PolarHBondContact O-N 3.44Å; A438-L623 HydrophobicContact CB-CD1 3.92Å; A438-L623 HydrophobicContact CB-CD2 3.88Å
439	L	90.5	Very high	81.6	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-61.5	-46	-179.7	179.9	61.6	0	0	0	111.8	F411 T435 F436 V442 A443 F592 L623 I626	F411-L439 HydrophobicContact CB-CD2 4.35Å; F411-L439 HydrophobicContact CD1-CD2 3.84Å; F411-L439 HydrophobicContact CG-CD2 4.41Å; T435-L439 VanDerWaalsContact O-CB 3.28Å; T435-L439 WeakPolarHBondContact O-CB 3.43Å; T435-L439 PolarHBondContact O-N 2.94Å; F436-L439 PolarHBondContact O-N 2.96Å; L439-V442 PolarHBondContact O-N 3.01Å; L439-A443 WeakPolarHBondContact O-CB 3.24Å; L439-A443 PolarHBondContact O-N 2.72Å; L439-F592 HydrophobicContact CD1-CB 3.52Å; L439-F592 HydrophobicContact CD1-CD2 4.08Å; L439-F592 HydrophobicContact CD1-CG 3.8Å; L439-L623 HydrophobicContact CB-CB 4.49Å; L439-L623 HydrophobicContact CD1-CB 4.28Å; L439-I626 HydrophobicContact CD1-CD1 4.19Å; L439-I626 HydrophobicContact CD1-CG1 4.24Å; L439-I626 HydrophobicContact CD2-CD1 4.46Å; L439-I626 HydrophobicContact CD2-CG1 4.24Å; L439-I626 HydrophobicContact CG-CD1 4.18Å; L439-I626 HydrophobicContact CG-CG1 4.39Å
440	S	88.8	Confident	82.7	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.007	21%	0.211	C	C	.	.	H	α-helix	trans	-64.1	-39.2	176.8	59.3	0	0	0	0	112.1	F436 D437 A438 V442 A443 A444 M478	F436-S440 VanDerWaalsContact O-CB 3.29Å; F436-S440 WeakPolarHBondContact O-CB 3.38Å; F436-S440 PolarHBondContact O-N 3.05Å; F436-S440 PolarHBondContact O-OG 3.24Å; D437-S440 WeakPolarHBondContact CA-OG 3.36Å; D437-S440 PolarHBondContact O-OG 2.92Å; A438-S440 PolarHBondContact O-N 3.18Å; S440-V442 PolarHBondContact O-N 3.22Å; S440-A443 PolarHBondContact O-N 3.22Å; S440-A444 VanDerWaalsContact O-CB 3.24Å; S440-A444 WeakPolarHBondContact O-CB 3.44Å; S440-A444 PolarHBondContact O-N 3.4Å; S440-M478 WeakPolarHBondContact CA-SD 3.37Å; S440-M478 VanDerWaalsContact CB-SD 3.51Å
441	R	87.2	Confident	84.4	Confident	50 Å²	50	32.9 Å²	32.9	19%	0.189	18%	0.178	C	C	.	.	H	α-helix	trans	-57	-49.1	171.1	-168.7	-177	-57.6	169.4	1	112	D437 A438 A444 L445 W488 L541	D437-R441 VanDerWaalsContact O-CB 3.27Å; D437-R441 WeakPolarHBondContact O-CB 3.43Å; D437-R441 PolarHBondContact O-N 3.28Å; A438-R441 WeakPolarHBondContact O-CB 3.48Å; A438-R441 PolarHBondContact O-N 3.03Å; R441-A444 PolarHBondContact O-N 2.92Å; R441-L445 HydrophobicContact CG-CD1 3.8Å; R441-L445 HydrophobicContact CG-CG 4.33Å; R441-L445 VanDerWaalsContact O-CB 3.31Å; R441-L445 WeakPolarHBondContact O-CB 3.49Å; R441-L445 VanDerWaalsContact O-CG 3.26Å; R441-L445 WeakPolarHBondContact O-CG 3.42Å; R441-L445 PolarHBondContact O-N 3.01Å; R441-W488 HydrophobicContact CB-CZ3 3.86Å; R441-W488 HydrophobicContact CG-CE3 4.39Å; R441-W488 HydrophobicContact CG-CZ3 3.97Å; R441-L541 HydrophobicContact CG-CD2 4.35Å
442	V	88.9	Confident	85.8	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.2	-43.4	177.7	177.5	0	0	0	0	110.9	A438 L439 S440 A444 C446 V543 F592 D594 L623	A438-V442 WeakPolarHBondContact O-CG2 3.21Å; A438-V442 PolarHBondContact O-N 3.44Å; L439-V442 PolarHBondContact O-N 3.01Å; S440-V442 PolarHBondContact O-N 3.22Å; V442-A444 PolarHBondContact O-N 2.87Å; V442-C446 HydrophobicContact CG1-CB 4.47Å; V442-C446 WeakPolarHBondContact O-CB 3.39Å; V442-C446 PolarHBondContact O-N 2.85Å; V442-V543 HydrophobicContact CG1-CB 4.11Å; V442-V543 HydrophobicContact CG2-CB 4.2Å; V442-V543 HydrophobicContact CG2-CG1 3.91Å; V442-F592 HydrophobicContact CB-CD1 4.45Å; V442-F592 HydrophobicContact CG1-CB 4.12Å; V442-F592 HydrophobicContact CG1-CD1 3.78Å; V442-F592 HydrophobicContact CG1-CG 4.46Å; V442-D594 HydrophobicContact CG2-CB 3.93Å; V442-L623 HydrophobicContact CB-CD1 4.3Å; V442-L623 HydrophobicContact CG2-CD1 3.45Å; V442-L623 VanDerWaalsContact CG2-CD1 3.45Å
443	A	89.5	Confident	87	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.9	-34.8	178.4	0	0	0	0	0	113.5	L439 S440 N447 L474 M478 F592 I626	L439-A443 WeakPolarHBondContact O-CB 3.24Å; L439-A443 PolarHBondContact O-N 2.72Å; S440-A443 PolarHBondContact O-N 3.22Å; A443-N447 WeakPolarHBondContact O-CB 3.31Å; A443-L474 HydrophobicContact CB-CD2 4.42Å; A443-M478 HydrophobicContact CB-CE 4.1Å; A443-M478 HydrophobicContact CB-CG 4Å; A443-M478 HydrophobicContact CB-SD 3.88Å; A443-F592 HydrophobicContact CB-CE1 4.09Å; A443-I626 HydrophobicContact CB-CD1 4.01Å
444	A	88	Confident	87.3	Confident	4 Å²	4	39.4 Å²	39.4	3%	0.033	20%	0.203	C	C	.	.	H	α-helix	trans	-75.5	-43	177	0	0	0	0	0	113	S440 R441 V442 M478 V485 R489	S440-A444 VanDerWaalsContact O-CB 3.24Å; S440-A444 WeakPolarHBondContact O-CB 3.44Å; S440-A444 PolarHBondContact O-N 3.4Å; R441-A444 PolarHBondContact O-N 2.92Å; V442-A444 PolarHBondContact O-N 2.87Å; A444-M478 HydrophobicContact CB-CB 4.4Å; A444-M478 HydrophobicContact CB-CG 4.26Å; A444-V485 HydrophobicContact CB-CG1 4.12Å; A444-R489 PolarHBondContact O-NE 2.93Å; A444-R489 PolarHBondContact O-NH2 3.2Å
445	L	87.2	Confident	87.2	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-82.5	-42.6	-175.1	-65.9	-175.3	0	0	0	113.6	R441 N447 R489 N492 H530 L541 V543	R441-L445 HydrophobicContact CG-CD1 3.8Å; R441-L445 HydrophobicContact CG-CG 4.33Å; R441-L445 VanDerWaalsContact O-CB 3.31Å; R441-L445 WeakPolarHBondContact O-CB 3.49Å; R441-L445 VanDerWaalsContact O-CG 3.26Å; R441-L445 WeakPolarHBondContact O-CG 3.42Å; R441-L445 PolarHBondContact O-N 3.01Å; L445-N447 PolarHBondContact O-N 2.9Å; L445-R489 HydrophobicContact CD2-CG 4.18Å; L445-N492 HydrophobicContact CD1-CB 3.79Å; L445-N492 HydrophobicContact CD2-CB 3.78Å; L445-N492 HydrophobicContact CG-CB 4.47Å; L445-H530 HydrophobicContact CD1-CB 4.48Å; L445-L541 HydrophobicContact CD1-CD2 4.3Å; L445-V543 HydrophobicContact CB-CG2 4.33Å
446	C	86.6	Confident	87	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	-79.8	42	-177.8	-159.7	0	0	0	0	112.2	V442 K526 V543 K545	V442-C446 HydrophobicContact CG1-CB 4.47Å; V442-C446 WeakPolarHBondContact O-CB 3.39Å; V442-C446 PolarHBondContact O-N 2.85Å; C446-K526 PolarHBondContact O-NZ 2.84Å; C446-V543 HydrophobicContact CB-CB 4.41Å; C446-V543 HydrophobicContact CB-CG2 3.8Å; C446-K545 HydrophobicContact CB-CD 4.32Å; C446-K545 WeakPolarHBondContact O-CD 3.49Å; C446-K545 WeakPolarHBondContact O-CE 3.5Å; C446-K545 PolarHBondContact O-NZ 3.37Å
447	N	86.1	Confident	86.9	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.011	27%	0.273	C	S	.	.			trans	-142.9	130.5	-165.8	-172.2	-19.9	0	0	0	109.8	A443 L445 A449 E471 L475 R489	A443-N447 WeakPolarHBondContact O-CB 3.31Å; L445-N447 PolarHBondContact O-N 2.9Å; N447-A449 WeakPolarHBondContact OD1-CB 3.29Å; N447-A449 PolarHBondContact OD1-N 2.94Å; N447-E471 PolarHBondContact ND2-O 3.27Å; N447-E471 WeakPolarHBondContact OD1-CB 3.39Å; N447-E471 PolarHBondContact OD1-O 3.11Å; N447-L475 PolarHBondContact ND2-N 2.94Å; N447-R489 PolarHBondContact O-NH2 3.39Å
448	K	83.7	Confident	86.9	Confident	98 Å²	98	52.8 Å²	52.8	43%	0.426	27%	0.267	S	S	.	.			trans	-100.2	-9.9	177.7	-77.8	177.8	178.2	-161.7	0	112.4	E450 E471 E497	K448-E450 PolarHBondContact O-N 2.95Å; K448-E471 WeakPolarHBondContact CA-OE2 3.12Å; K448-E471 VanDerWaalsContact CB-OE2 3.29Å; K448-E471 WeakPolarHBondContact CB-OE2 3.36Å; K448-E471 PolarHBondContact N-OE2 2.89Å; K448-E497 WeakPolarHBondContact CE-OE1 3.49Å; K448-E497 WeakPolarHBondContact CE-OE2 3.37Å; K448-E497 WeakPolarHBondContact CG-OE1 3.47Å
449	A	86	Confident	86.9	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.29	C	S	.	.			trans	-62.4	136.1	175.6	0	0	0	0	0	110.5	N447 T466 E471 L475 R489	N447-A449 WeakPolarHBondContact OD1-CB 3.29Å; N447-A449 PolarHBondContact OD1-N 2.94Å; A449-T466 VanDerWaalsContact CA-O 3.29Å; A449-T466 WeakPolarHBondContact CA-O 3.26Å; A449-E471 HydrophobicContact CB-CB 3.8Å; A449-E471 PolarHBondContact N-OE2 3.38Å; A449-L475 HydrophobicContact CB-CB 4.22Å; A449-L475 HydrophobicContact CB-CD2 4.06Å; A449-R489 PolarHBondContact O-NH1 3.5Å; A449-R489 PolarHBondContact O-NH2 3.48Å; A449-R489 VanDerWaalsContact O-NH2 3.15Å
450	E	88.2	Confident	86.8	Confident	119 Å²	119	57.6 Å²	57.6	56%	0.556	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.7	150.6	175.4	-65.3	-174.4	166.5	0	0	109.4	K448 C465 T466	K448-E450 PolarHBondContact O-N 2.95Å; E450-C465 CarbonylContact O-C 3.58Å; E450-C465 WeakPolarHBondContact O-CA 3.25Å; E450-T466 PolarHBondContact N-O 3.12Å; E450-T466 VanDerWaalsContact N-O 3.12Å; E450-T466 PolarHBondContact O-N 3.17Å; E450-T466 PolarHBondContact O-OG1 2.9Å
451	F	90.1	Very high	86.7	Confident	42 Å²	42	58 Å²	58	18%	0.184	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	142.2	171.7	-65.4	-67.6	0	0	0	110.1	V460 R463 L475 K476 E479	F451-V460 HydrophobicContact CZ-CG1 4.04Å; F451-R463 HydrophobicContact CD1-CB 3.67Å; F451-R463 HydrophobicContact CD1-CG 4.47Å; F451-R463 HydrophobicContact CE1-CB 3.91Å; F451-L475 HydrophobicContact CD1-CD2 4.16Å; F451-L475 HydrophobicContact CD2-CD2 3.99Å; F451-L475 HydrophobicContact CD2-CG 4.4Å; F451-L475 HydrophobicContact CE1-CD2 4.02Å; F451-L475 HydrophobicContact CE1-CG 4.33Å; F451-L475 HydrophobicContact CE2-CD1 4Å; F451-L475 HydrophobicContact CE2-CD2 3.84Å; F451-L475 HydrophobicContact CE2-CG 3.77Å; F451-L475 HydrophobicContact CG-CD2 4.15Å; F451-L475 HydrophobicContact CZ-CD1 4.42Å; F451-L475 HydrophobicContact CZ-CD2 3.86Å; F451-L475 HydrophobicContact CZ-CG 3.73Å; F451-K476 HydrophobicContact CE1-CG 3.99Å; F451-K476 HydrophobicContact CZ-CG 4.28Å; F451-E479 HydrophobicContact CE2-CB 4.05Å; F451-E479 HydrophobicContact CE2-CG 3.76Å; F451-E479 HydrophobicContact CZ-CB 4.04Å; F451-E479 HydrophobicContact CZ-CG 3.99Å
452	K	87.9	Confident	86.6	Confident	84 Å²	84	60 Å²	60	37%	0.365	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-64.7	147.3	171.7	-69.2	-172	-170.5	172.4	0	110.6	E464 T466	K452-E464 HydrophobicContact CD-CB 3.87Å; K452-E464 WeakPolarHBondContact CD-OE2 3.36Å; K452-E464 WeakPolarHBondContact CE-OE2 3.46Å; K452-E464 HydrophobicContact CG-CB 4.23Å; K452-E464 PolarHBondContact N-O 3.21Å; K452-E464 IonicContact NZ-OE2 3.4Å; K452-E464 PolarHBondContact NZ-OE2 3.32Å; K452-T466 HydrophobicContact CG-CG2 4.06Å
453	P	85.9	Confident	86.6	Confident	110 Å²	110	62 Å²	62	71%	0.714	32%	0.317	S	S	*	.	S	Bend	trans	-62.5	157.4	176.9	26.7	-35	0	0	0	112.1
454	N	83.9	Confident	86.4	Confident	163 Å²	163	66.9 Å²	66.9	87%	0.872	34%	0.34	S	S	*	.	S	Bend	trans	66.1	39.2	177.2	-49.9	-25.5	0	0	0	115.4
455	Q	83.8	Confident	86.3	Confident	33 Å²	33	68 Å²	68	15%	0.154	35%	0.346	C	S	.	.			trans	-125.9	22.9	-179.7	-60.5	-166.2	-25	0	0	114.4	D457 V458 R463 E464	Q455-D457 PolarHBondContact O-N 3.2Å; Q455-V458 HydrophobicContact CB-CG2 4.48Å; Q455-V458 PolarHBondContact O-N 2.91Å; Q455-R463 HydrophobicContact CB-CG 4.2Å; Q455-R463 PolarHBondContact O-NE 3.27Å; Q455-E464 PolarHBondContact OE1-O 3.28Å
456	E	81.9	Confident	86.2	Confident	170 Å²	170	71.4 Å²	71.4	79%	0.794	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-41.8	-176.7	-66.2	178.5	-166.9	0	0	112.2	V458 R463	E456-V458 PolarHBondContact O-N 3.46Å; E456-R463 PolarHBondContact O-NH2 2.97Å
457	D	86.3	Confident	85.6	Confident	170 Å²	170	73.9 Å²	73.9	91%	0.909	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-14.1	177	-60.3	-47.2	0	0	0	114.5	Q455	Q455-D457 PolarHBondContact O-N 3.2Å
458	V	87.1	Confident	85.3	Confident	52 Å²	52	78 Å²	78	32%	0.315	42%	0.415	S	S	.	.	S	Bend	trans	-89	132.9	-177.6	-177.7	0	0	0	0	109.6	Q455 E456 V460 K462 R463	Q455-V458 HydrophobicContact CB-CG2 4.48Å; Q455-V458 PolarHBondContact O-N 2.91Å; E456-V458 PolarHBondContact O-N 3.46Å; V458-V460 PolarHBondContact O-N 2.9Å; V458-K462 HydrophobicContact CG1-CB 3.87Å; V458-R463 HydrophobicContact CB-CG 4.12Å; V458-R463 HydrophobicContact CG1-CG 4.22Å; V458-R463 WeakPolarHBondContact O-CG 3.41Å; V458-R463 PolarHBondContact O-NE 3.37Å
459	P	87.1	Confident	85.2	Confident	85 Å²	85	75.9 Å²	75.9	55%	0.552	42%	0.416	S	S	*	.			trans	-53.9	138.7	175.7	-27.2	34.8	0	0	0	112.4	L461 K462 R463	P459-L461 VanDerWaalsContact C-N 3.29Å; P459-L461 PolarHBondContact O-N 2.85Å; P459-L461 VanDerWaalsContact O-N 3.1Å; P459-K462 CarbonylContact O-C 3.49Å; P459-K462 WeakPolarHBondContact O-CA 3.28Å; P459-K462 PolarHBondContact O-N 2.91Å; P459-R463 PolarHBondContact O-N 3.46Å; P459-R463 VanDerWaalsContact O-N 3.12Å
460	V	88.2	Confident	85.2	Confident	25 Å²	25	76.3 Å²	76.3	15%	0.152	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-48.9	-44.8	-170.5	179.3	0	0	0	0	113.3	F451 V458 K462 R463 E479 L480	F451-V460 HydrophobicContact CZ-CG1 4.04Å; V458-V460 PolarHBondContact O-N 2.9Å; V460-K462 VanDerWaalsContact C-N 3.3Å; V460-K462 PolarHBondContact O-N 3.12Å; V460-R463 PolarHBondContact O-N 2.97Å; V460-E479 HydrophobicContact CG1-CB 3.9Å; V460-E479 HydrophobicContact CG1-CG 3.82Å; V460-E479 HydrophobicContact CG2-CG 4.27Å; V460-L480 HydrophobicContact CB-CD2 3.93Å; V460-L480 HydrophobicContact CB-CG 4.18Å; V460-L480 HydrophobicContact CG1-CD2 4.32Å; V460-L480 HydrophobicContact CG1-CG 4.03Å; V460-L480 HydrophobicContact CG2-CD2 4.24Å
461	L	86.6	Confident	85.1	Confident	10 Å²	10	71.3 Å²	71.3	5%	0.052	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-61.3	-35.4	177.2	-67.7	179.2	0	0	0	113.3	R403 S421 Q424 P459 K476 L480	R403-L461 WeakPolarHBondContact CD-O 3.45Å; R403-L461 PolarHBondContact NE-O 3.09Å; R403-L461 VanDerWaalsContact NE-O 3.13Å; R403-L461 PolarHBondContact NH1-O 3.41Å; S421-L461 WeakPolarHBondContact O-CD1 3.22Å; Q424-L461 HydrophobicContact CG-CD1 4.27Å; P459-L461 VanDerWaalsContact C-N 3.29Å; P459-L461 PolarHBondContact O-N 2.85Å; P459-L461 VanDerWaalsContact O-N 3.1Å; L461-K476 HydrophobicContact CD2-CB 4.41Å; L461-K476 WeakPolarHBondContact O-CE 3.3Å; L461-K476 PolarHBondContact O-NZ 3.13Å; L461-L480 HydrophobicContact CD2-CD1 3.65Å; L461-L480 HydrophobicContact CG-CD1 3.96Å
462	K	85.5	Confident	85.1	Confident	91 Å²	91	70.1 Å²	70.1	40%	0.396	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-88.6	-8.2	-177.7	-62.6	-167.3	179.2	-164.2	0	113.6	E422 V458 P459 V460	E422-K462 VanDerWaalsContact OE2-CE 3.31Å; E422-K462 WeakPolarHBondContact OE2-CE 3.19Å; E422-K462 IonicContact OE2-NZ 3.96Å; E422-K462 PolarHBondContact OE2-NZ 3.4Å; V458-K462 HydrophobicContact CG1-CB 3.87Å; P459-K462 CarbonylContact O-C 3.49Å; P459-K462 WeakPolarHBondContact O-CA 3.28Å; P459-K462 PolarHBondContact O-N 2.91Å; V460-K462 VanDerWaalsContact C-N 3.3Å; V460-K462 PolarHBondContact O-N 3.12Å
463	R	89	Confident	85.2	Confident	44 Å²	44	66.2 Å²	66.2	17%	0.166	38%	0.376	C	S	.	.	S	Bend	trans	-60.3	145.1	170.8	-64.7	-178.8	-178.1	167.7	-2.9	111.1	F451 Q455 E456 V458 P459 V460 K476	F451-R463 HydrophobicContact CD1-CB 3.67Å; F451-R463 HydrophobicContact CD1-CG 4.47Å; F451-R463 HydrophobicContact CE1-CB 3.91Å; Q455-R463 HydrophobicContact CB-CG 4.2Å; Q455-R463 PolarHBondContact O-NE 3.27Å; E456-R463 PolarHBondContact O-NH2 2.97Å; V458-R463 HydrophobicContact CB-CG 4.12Å; V458-R463 HydrophobicContact CG1-CG 4.22Å; V458-R463 WeakPolarHBondContact O-CG 3.41Å; V458-R463 PolarHBondContact O-NE 3.37Å; P459-R463 PolarHBondContact O-N 3.46Å; P459-R463 VanDerWaalsContact O-N 3.12Å; V460-R463 PolarHBondContact O-N 2.97Å; R463-K476 WeakPolarHBondContact O-CE 3.23Å; R463-K476 PolarHBondContact O-NZ 2.95Å
464	E	86.3	Confident	85.5	Confident	102 Å²	102	61 Å²	61	48%	0.477	34%	0.342	S	S	.	.			trans	-84.6	137.2	173	-62.6	-177.4	-168.1	0	0	110.1	K452 Q455	K452-E464 HydrophobicContact CD-CB 3.87Å; K452-E464 WeakPolarHBondContact CD-OE2 3.36Å; K452-E464 WeakPolarHBondContact CE-OE2 3.46Å; K452-E464 HydrophobicContact CG-CB 4.23Å; K452-E464 PolarHBondContact N-O 3.21Å; K452-E464 IonicContact NZ-OE2 3.4Å; K452-E464 PolarHBondContact NZ-OE2 3.32Å; Q455-E464 PolarHBondContact OE1-O 3.28Å
465	C	85.4	Confident	85.9	Confident	26 Å²	26	53.4 Å²	53.4	18%	0.176	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	149.3	177.1	-57.5	0	0	0	0	110.5	E450 S472 K476	E450-C465 CarbonylContact O-C 3.58Å; E450-C465 WeakPolarHBondContact O-CA 3.25Å; C465-S472 WeakPolarHBondContact CB-OG 3.18Å; C465-K476 VanDerWaalsContact SG-CE 3.54Å
466	T	83.8	Confident	86.3	Confident	73 Å²	73	52.8 Å²	52.8	45%	0.448	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	111.5	161.8	48	0	0	0	0	108.3	A449 E450 K452	A449-T466 VanDerWaalsContact CA-O 3.29Å; A449-T466 WeakPolarHBondContact CA-O 3.26Å; E450-T466 PolarHBondContact N-O 3.12Å; E450-T466 VanDerWaalsContact N-O 3.12Å; E450-T466 PolarHBondContact O-N 3.17Å; E450-T466 PolarHBondContact O-OG1 2.9Å; K452-T466 HydrophobicContact CG-CG2 4.06Å
467	G	75.3	Confident	86.7	Confident	52 Å²	52	45.3 Å²	45.3	54%	0.536	27%	0.265	S	S	.	.	S	Bend	trans	156.5	178	-176.9	0	0	0	0	0	111
468	D	79.2	Confident	86.8	Confident	89 Å²	89	37.3 Å²	37.3	48%	0.476	22%	0.222	S	C	.	.			trans	-72.2	165.1	171.6	74.2	57	0	0	0	111.8	S470 E471 S472	D468-S470 VanDerWaalsContact C-N 3.32Å; D468-S470 PolarHBondContact O-N 2.68Å; D468-S470 WeakPolarHBondContact OD1-CA 3.33Å; D468-S470 WeakPolarHBondContact OD1-CB 3.47Å; D468-S470 PolarHBondContact OD1-N 2.68Å; D468-E471 PolarHBondContact O-N 3.19Å; D468-E471 PolarHBondContact OD1-N 3.39Å; D468-E471 WeakPolarHBondContact OD2-CG 3.48Å; D468-S472 VanDerWaalsContact O-CB 3.27Å; D468-S472 WeakPolarHBondContact O-CB 3.4Å; D468-S472 PolarHBondContact O-N 2.96Å; D468-S472 PolarHBondContact O-OG 2.8Å
469	A	82.4	Confident	86.9	Confident	54 Å²	54	36.7 Å²	36.7	45%	0.446	22%	0.215	S	C	.	.	H	α-helix	trans	-63.9	-35.6	-175.4	0	0	0	0	0	112.7	M404 A473	M404-A469 HydrophobicContact CB-CB 4.05Å; A469-A473 WeakPolarHBondContact O-CB 3.41Å; A469-A473 PolarHBondContact O-N 3.29Å
470	S	85.4	Confident	86.9	Confident	9 Å²	9	35.8 Å²	35.8	6%	0.063	21%	0.206	C	C	.	.	H	α-helix	trans	-74.2	-40.6	-179	-68	0	0	0	0	111.9	D468 S472 A473 L474 M628	D468-S470 VanDerWaalsContact C-N 3.32Å; D468-S470 PolarHBondContact O-N 2.68Å; D468-S470 WeakPolarHBondContact OD1-CA 3.33Å; D468-S470 WeakPolarHBondContact OD1-CB 3.47Å; D468-S470 PolarHBondContact OD1-N 2.68Å; S470-S472 VanDerWaalsContact C-N 3.35Å; S470-A473 PolarHBondContact O-N 2.92Å; S470-L474 WeakPolarHBondContact O-CG 3.43Å; S470-L474 PolarHBondContact O-N 3.22Å; S470-L474 VanDerWaalsContact O-N 3.1Å; S470-M628 WeakPolarHBondContact CA-SD 3.21Å; S470-M628 WeakPolarHBondContact CB-SD 3.14Å; S470-M628 PolarHBondContact OG-SD 2.94Å
471	E	86.8	Confident	86.7	Confident	14 Å²	14	37.5 Å²	37.5	7%	0.065	22%	0.217	C	C	.	.	H	α-helix	trans	-66.3	-37.7	172.5	-71.8	-148.6	149.3	0	0	112.2	N447 K448 A449 D468 L474 L475 K526 K545	N447-E471 PolarHBondContact ND2-O 3.27Å; N447-E471 WeakPolarHBondContact OD1-CB 3.39Å; N447-E471 PolarHBondContact OD1-O 3.11Å; K448-E471 WeakPolarHBondContact CA-OE2 3.12Å; K448-E471 VanDerWaalsContact CB-OE2 3.29Å; K448-E471 WeakPolarHBondContact CB-OE2 3.36Å; K448-E471 PolarHBondContact N-OE2 2.89Å; A449-E471 HydrophobicContact CB-CB 3.8Å; A449-E471 PolarHBondContact N-OE2 3.38Å; D468-E471 PolarHBondContact O-N 3.19Å; D468-E471 PolarHBondContact OD1-N 3.39Å; D468-E471 WeakPolarHBondContact OD2-CG 3.48Å; E471-L474 PolarHBondContact O-N 3.27Å; E471-L475 WeakPolarHBondContact O-CB 3.28Å; E471-L475 PolarHBondContact O-N 2.59Å; E471-K526 IonicContact OE1-NZ 3.45Å; E471-K526 PolarHBondContact OE1-NZ 2.95Å; E471-K526 IonicContact OE2-NZ 3.71Å; E471-K545 WeakPolarHBondContact OE1-CE 3.36Å; E471-K545 IonicContact OE1-NZ 2.7Å; E471-K545 PolarHBondContact OE1-NZ 2.78Å
472	S	89.3	Confident	86.4	Confident	17 Å²	17	39.6 Å²	39.6	12%	0.119	23%	0.23	C	C	.	.	H	α-helix	trans	-65.8	-39.1	173.8	-59.7	0	0	0	0	112.4	C465 D468 S470 L475 K476	C465-S472 WeakPolarHBondContact CB-OG 3.18Å; D468-S472 VanDerWaalsContact O-CB 3.27Å; D468-S472 WeakPolarHBondContact O-CB 3.4Å; D468-S472 PolarHBondContact O-N 2.96Å; D468-S472 PolarHBondContact O-OG 2.8Å; S470-S472 VanDerWaalsContact C-N 3.35Å; S472-L475 PolarHBondContact O-N 3.49Å; S472-K476 WeakPolarHBondContact O-CB 3.42Å; S472-K476 WeakPolarHBondContact O-CG 3.28Å; S472-K476 PolarHBondContact O-N 3.16Å
473	A	90.5	Very high	86.3	Confident	2 Å²	2	36.4 Å²	36.4	2%	0.017	22%	0.222	C	C	.	.	H	α-helix	trans	-61.6	-48.6	174.5	0	0	0	0	0	111.6	M404 A469 S470 K476 C477 M628	M404-A473 HydrophobicContact CB-CB 4.22Å; M404-A473 HydrophobicContact CG-CB 4.01Å; M404-A473 WeakPolarHBondContact O-CB 3.36Å; A469-A473 WeakPolarHBondContact O-CB 3.41Å; A469-A473 PolarHBondContact O-N 3.29Å; S470-A473 PolarHBondContact O-N 2.92Å; A473-K476 PolarHBondContact O-N 3.02Å; A473-C477 WeakPolarHBondContact O-CB 3.39Å; A473-C477 PolarHBondContact O-N 2.91Å; A473-M628 HydrophobicContact CB-SD 4.29Å
474	L	91.9	Very high	86.1	Confident	0 Å²	0	39 Å²	39	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.5	-43.6	177.1	-68.6	168.6	0	0	0	111.7	V406 A443 S470 E471 K476 C477 M478 K545 L590 F592 I626 M628	V406-L474 HydrophobicContact CG2-CD2 4.13Å; A443-L474 HydrophobicContact CB-CD2 4.42Å; S470-L474 WeakPolarHBondContact O-CG 3.43Å; S470-L474 PolarHBondContact O-N 3.22Å; S470-L474 VanDerWaalsContact O-N 3.1Å; E471-L474 PolarHBondContact O-N 3.27Å; L474-K476 PolarHBondContact O-N 3.04Å; L474-C477 PolarHBondContact O-N 3.48Å; L474-M478 WeakPolarHBondContact O-CG 3.4Å; L474-M478 PolarHBondContact O-N 3Å; L474-K545 HydrophobicContact CD1-CD 4.43Å; L474-L590 HydrophobicContact CD1-CD1 4.19Å; L474-F592 HydrophobicContact CD1-CE1 4.23Å; L474-F592 HydrophobicContact CD1-CZ 3.93Å; L474-F592 HydrophobicContact CD2-CZ 3.9Å; L474-I626 HydrophobicContact CD2-CB 4.32Å; L474-I626 HydrophobicContact CD2-CD1 3.9Å; L474-I626 HydrophobicContact CD2-CG2 3.94Å; L474-M628 HydrophobicContact CD1-CE 4.28Å; L474-M628 HydrophobicContact CD2-CE 4.07Å; L474-M628 HydrophobicContact CG-CE 3.91Å
475	L	92.2	Very high	86	Confident	4 Å²	4	34.3 Å²	34.3	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-58.6	-48.7	177.2	173.9	67.2	0	0	0	111.1	N447 A449 F451 E471 S472 C477 M478 E479 V485	N447-L475 PolarHBondContact ND2-N 2.94Å; A449-L475 HydrophobicContact CB-CB 4.22Å; A449-L475 HydrophobicContact CB-CD2 4.06Å; F451-L475 HydrophobicContact CD1-CD2 4.16Å; F451-L475 HydrophobicContact CD2-CD2 3.99Å; F451-L475 HydrophobicContact CD2-CG 4.4Å; F451-L475 HydrophobicContact CE1-CD2 4.02Å; F451-L475 HydrophobicContact CE1-CG 4.33Å; F451-L475 HydrophobicContact CE2-CD1 4Å; F451-L475 HydrophobicContact CE2-CD2 3.84Å; F451-L475 HydrophobicContact CE2-CG 3.77Å; F451-L475 HydrophobicContact CG-CD2 4.15Å; F451-L475 HydrophobicContact CZ-CD1 4.42Å; F451-L475 HydrophobicContact CZ-CD2 3.86Å; F451-L475 HydrophobicContact CZ-CG 3.73Å; E471-L475 WeakPolarHBondContact O-CB 3.28Å; E471-L475 PolarHBondContact O-N 2.59Å; S472-L475 PolarHBondContact O-N 3.49Å; L475-C477 VanDerWaalsContact C-N 3.34Å; L475-C477 PolarHBondContact O-N 3.34Å; L475-M478 PolarHBondContact O-N 2.9Å; L475-E479 WeakPolarHBondContact O-CB 3.4Å; L475-E479 PolarHBondContact O-N 2.93Å; L475-V485 HydrophobicContact CD1-CB 4.24Å; L475-V485 HydrophobicContact CD1-CG1 3.82Å
476	K	91.3	Very high	86	Confident	19 Å²	19	36.5 Å²	36.5	8%	0.083	23%	0.23	C	C	.	.	H	α-helix	trans	-63.5	-39.5	180	-75.8	173.7	173.3	-175.4	0	112.3	F451 L461 R463 C465 S472 A473 L474 L480	F451-K476 HydrophobicContact CE1-CG 3.99Å; F451-K476 HydrophobicContact CZ-CG 4.28Å; L461-K476 HydrophobicContact CD2-CB 4.41Å; L461-K476 WeakPolarHBondContact O-CE 3.3Å; L461-K476 PolarHBondContact O-NZ 3.13Å; R463-K476 WeakPolarHBondContact O-CE 3.23Å; R463-K476 PolarHBondContact O-NZ 2.95Å; C465-K476 VanDerWaalsContact SG-CE 3.54Å; S472-K476 WeakPolarHBondContact O-CB 3.42Å; S472-K476 WeakPolarHBondContact O-CG 3.28Å; S472-K476 PolarHBondContact O-N 3.16Å; A473-K476 PolarHBondContact O-N 3.02Å; L474-K476 PolarHBondContact O-N 3.04Å; K476-L480 WeakPolarHBondContact O-CD1 3.07Å; K476-L480 VanDerWaalsContact O-CG 3.29Å; K476-L480 WeakPolarHBondContact O-CG 3.38Å; K476-L480 PolarHBondContact O-N 2.87Å; K476-L480 VanDerWaalsContact O-N 3.15Å
477	C	90.2	Very high	86	Confident	14 Å²	14	34 Å²	34	10%	0.095	22%	0.219	C	C	.	.	H	α-helix	trans	-63.4	-49.5	175.6	-174.2	0	0	0	0	111.5	V406 M409 A473 L474 L475 E479 L480 T481	V406-C477 HydrophobicContact CB-CB 3.98Å; V406-C477 HydrophobicContact CG2-CB 3.67Å; M409-C477 WeakPolarHBondContact CE-SG 3.44Å; A473-C477 WeakPolarHBondContact O-CB 3.39Å; A473-C477 PolarHBondContact O-N 2.91Å; L474-C477 PolarHBondContact O-N 3.48Å; L475-C477 VanDerWaalsContact C-N 3.34Å; L475-C477 PolarHBondContact O-N 3.34Å; C477-E479 PolarHBondContact O-N 3.32Å; C477-L480 PolarHBondContact O-N 3.2Å; C477-L480 VanDerWaalsContact O-N 3.16Å; C477-T481 PolarHBondContact O-N 3.22Å; C477-T481 PolarHBondContact O-OG1 3.22Å; C477-T481 VanDerWaalsContact O-OG1 3.09Å
478	M	89.8	Confident	86.3	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-67	-34.3	-179.6	-62	-54.4	110.9	0	0	113.1	M409 S440 A443 A444 L474 L475 L480 T481 V482 G483 V485	M409-M478 HydrophobicContact CE-CE 4.17Å; S440-M478 WeakPolarHBondContact CA-SD 3.37Å; S440-M478 VanDerWaalsContact CB-SD 3.51Å; A443-M478 HydrophobicContact CB-CE 4.1Å; A443-M478 HydrophobicContact CB-CG 4Å; A443-M478 HydrophobicContact CB-SD 3.88Å; A444-M478 HydrophobicContact CB-CB 4.4Å; A444-M478 HydrophobicContact CB-CG 4.26Å; L474-M478 WeakPolarHBondContact O-CG 3.4Å; L474-M478 PolarHBondContact O-N 3Å; L475-M478 PolarHBondContact O-N 2.9Å; M478-L480 VanDerWaalsContact C-N 3.28Å; M478-L480 PolarHBondContact O-N 3.12Å; M478-T481 PolarHBondContact O-N 3.25Å; M478-V482 WeakPolarHBondContact O-CB 3.43Å; M478-V482 PolarHBondContact O-N 2.83Å; M478-G483 PolarHBondContact O-N 2.81Å; M478-V485 HydrophobicContact CB-CG2 3.73Å
479	E	89.5	Confident	86.5	Confident	39 Å²	39	33.1 Å²	33.1	18%	0.182	19%	0.193	C	C	.	.	H	α-helix	trans	-69.1	-26.7	175.2	-172.2	69.2	-170.5	0	0	112.2	F451 V460 L475 C477 G483 V485	F451-E479 HydrophobicContact CE2-CB 4.05Å; F451-E479 HydrophobicContact CE2-CG 3.76Å; F451-E479 HydrophobicContact CZ-CB 4.04Å; F451-E479 HydrophobicContact CZ-CG 3.99Å; V460-E479 HydrophobicContact CG1-CB 3.9Å; V460-E479 HydrophobicContact CG1-CG 3.82Å; V460-E479 HydrophobicContact CG2-CG 4.27Å; L475-E479 WeakPolarHBondContact O-CB 3.4Å; L475-E479 PolarHBondContact O-N 2.93Å; C477-E479 PolarHBondContact O-N 3.32Å; E479-G483 WeakPolarHBondContact O-CA 3.13Å; E479-V485 HydrophobicContact CB-CG2 4.18Å; E479-V485 WeakPolarHBondContact OE2-CB 3.44Å; E479-V485 WeakPolarHBondContact OE2-CG2 3.44Å; E479-V485 PolarHBondContact OE2-N 2.91Å
480	L	87.1	Confident	86.6	Confident	67 Å²	67	38.3 Å²	38.3	35%	0.351	21%	0.205	S	C	.	.	H	α-helix	trans	-80.3	-39	173.2	-75.1	167.6	0	0	0	113.2	Q424 V460 L461 K476 C477 M478	Q424-L480 HydrophobicContact CG-CD2 4.46Å; V460-L480 HydrophobicContact CB-CD2 3.93Å; V460-L480 HydrophobicContact CB-CG 4.18Å; V460-L480 HydrophobicContact CG1-CD2 4.32Å; V460-L480 HydrophobicContact CG1-CG 4.03Å; V460-L480 HydrophobicContact CG2-CD2 4.24Å; L461-L480 HydrophobicContact CD2-CD1 3.65Å; L461-L480 HydrophobicContact CG-CD1 3.96Å; K476-L480 WeakPolarHBondContact O-CD1 3.07Å; K476-L480 VanDerWaalsContact O-CG 3.29Å; K476-L480 WeakPolarHBondContact O-CG 3.38Å; K476-L480 PolarHBondContact O-N 2.87Å; K476-L480 VanDerWaalsContact O-N 3.15Å; C477-L480 PolarHBondContact O-N 3.2Å; C477-L480 VanDerWaalsContact O-N 3.16Å; M478-L480 VanDerWaalsContact C-N 3.28Å; M478-L480 PolarHBondContact O-N 3.12Å
481	T	83.2	Confident	86.5	Confident	61 Å²	61	42.8 Å²	42.8	37%	0.374	22%	0.223	S	C	.	.	H	α-helix	trans	-89	-42.6	-174	54.9	0	0	0	0	113.8	C477 M478	C477-T481 PolarHBondContact O-N 3.22Å; C477-T481 PolarHBondContact O-OG1 3.22Å; C477-T481 VanDerWaalsContact O-OG1 3.09Å; M478-T481 PolarHBondContact O-N 3.25Å
482	V	81.3	Confident	86.2	Confident	54 Å²	54	42.3 Å²	42.3	33%	0.327	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-39.5	-176.1	-176	0	0	0	0	111.3	M478 W488	M478-V482 WeakPolarHBondContact O-CB 3.43Å; M478-V482 PolarHBondContact O-N 2.83Å; V482-W488 HydrophobicContact CG1-CD2 4.34Å; V482-W488 HydrophobicContact CG1-CH2 4.13Å; V482-W488 HydrophobicContact CG1-CZ2 3.48Å; V482-W488 VanDerWaalsContact CG1-CZ2 3.48Å
483	G	83.3	Confident	85.8	Confident	23 Å²	23	47 Å²	47	24%	0.237	24%	0.24	C	C	.	.			trans	74.3	157.9	-173.3	0	0	0	0	0	113.9	M478 E479 V485	M478-G483 PolarHBondContact O-N 2.81Å; E479-G483 WeakPolarHBondContact O-CA 3.13Å; G483-V485 PolarHBondContact O-N 3.26Å
484	D	83.3	Confident	85.4	Confident	100 Å²	100	50.4 Å²	50.4	54%	0.535	25%	0.254	S	S	.	.			trans	45.7	53.5	-179.2	-168.9	21.7	0	0	0	114	V486 G487 W488	D484-V486 PolarHBondContact O-N 3.19Å; D484-V486 VanDerWaalsContact O-N 3.15Å; D484-G487 PolarHBondContact O-N 3.34Å; D484-G487 VanDerWaalsContact O-N 3.07Å; D484-G487 WeakPolarHBondContact OD1-CA 3.41Å; D484-G487 PolarHBondContact OD1-N 3.02Å; D484-G487 WeakPolarHBondContact OD2-CA 3.27Å; D484-W488 PolarHBondContact O-N 2.92Å
485	V	85.5	Confident	85	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.018	27%	0.271	C	S	.	.	H	α-helix	trans	-59	-28.7	175.6	174.4	0	0	0	0	110.9	A444 L475 M478 E479 G483 W488 R489	A444-V485 HydrophobicContact CB-CG1 4.12Å; L475-V485 HydrophobicContact CD1-CB 4.24Å; L475-V485 HydrophobicContact CD1-CG1 3.82Å; M478-V485 HydrophobicContact CB-CG2 3.73Å; E479-V485 HydrophobicContact CB-CG2 4.18Å; E479-V485 WeakPolarHBondContact OE2-CB 3.44Å; E479-V485 WeakPolarHBondContact OE2-CG2 3.44Å; E479-V485 PolarHBondContact OE2-N 2.91Å; G483-V485 PolarHBondContact O-N 3.26Å; V485-W488 PolarHBondContact O-N 3.43Å; V485-R489 HydrophobicContact CG1-CG 4.45Å; V485-R489 WeakPolarHBondContact O-CB 3.2Å; V485-R489 WeakPolarHBondContact O-CG 3.38Å; V485-R489 PolarHBondContact O-N 3.39Å
486	V	84.6	Confident	84.4	Confident	71 Å²	71	53.6 Å²	53.6	43%	0.43	27%	0.274	S	S	.	.	H	α-helix	trans	-66.4	-44.9	175.7	-179.4	0	0	0	0	111.3	D484 R489 K490	D484-V486 PolarHBondContact O-N 3.19Å; D484-V486 VanDerWaalsContact O-N 3.15Å; V486-R489 PolarHBondContact O-N 3.13Å; V486-K490 HydrophobicContact CG1-CD 4.29Å; V486-K490 WeakPolarHBondContact O-CG 3.39Å; V486-K490 PolarHBondContact O-N 2.99Å
487	G	83.3	Confident	83.7	Confident	21 Å²	21	54.9 Å²	54.9	22%	0.216	28%	0.28	C	S	.	.	H	α-helix	trans	-61.5	-43.3	172.3	0	0	0	0	0	112.6	D484 R489 K490 K491	D484-G487 PolarHBondContact O-N 3.34Å; D484-G487 VanDerWaalsContact O-N 3.07Å; D484-G487 WeakPolarHBondContact OD1-CA 3.41Å; D484-G487 PolarHBondContact OD1-N 3.02Å; D484-G487 WeakPolarHBondContact OD2-CA 3.27Å; G487-R489 PolarHBondContact O-N 3.07Å; G487-K490 PolarHBondContact O-N 3.31Å; G487-K490 VanDerWaalsContact O-N 3.16Å; G487-K491 PolarHBondContact O-N 3.06Å
488	W	81.3	Confident	82.8	Confident	75 Å²	75	54.2 Å²	54.2	28%	0.284	28%	0.276	S	S	.	.	H	α-helix	trans	-59.7	-44.3	175	-87.3	61.6	0	0	0	113.1	R441 V482 D484 V485 K490 K491 N492	R441-W488 HydrophobicContact CB-CZ3 3.86Å; R441-W488 HydrophobicContact CG-CE3 4.39Å; R441-W488 HydrophobicContact CG-CZ3 3.97Å; V482-W488 HydrophobicContact CG1-CD2 4.34Å; V482-W488 HydrophobicContact CG1-CH2 4.13Å; V482-W488 HydrophobicContact CG1-CZ2 3.48Å; V482-W488 VanDerWaalsContact CG1-CZ2 3.48Å; D484-W488 PolarHBondContact O-N 2.92Å; V485-W488 PolarHBondContact O-N 3.43Å; W488-K490 VanDerWaalsContact C-N 3.32Å; W488-K490 PolarHBondContact O-N 3.24Å; W488-K491 PolarHBondContact O-N 3.18Å; W488-N492 PolarHBondContact O-N 3.01Å; W488-N492 PolarHBondContact O-ND2 3.21Å
489	R	84.8	Confident	81.6	Confident	48 Å²	48	55.4 Å²	55.4	18%	0.181	28%	0.283	C	S	.	.	H	α-helix	trans	-67.5	-29.5	175.6	-73.1	177.5	-178.9	176.6	7.7	113	A444 L445 N447 A449 V485 V486 G487 N492	A444-R489 PolarHBondContact O-NE 2.93Å; A444-R489 PolarHBondContact O-NH2 3.2Å; L445-R489 HydrophobicContact CD2-CG 4.18Å; N447-R489 PolarHBondContact O-NH2 3.39Å; A449-R489 PolarHBondContact O-NH1 3.5Å; A449-R489 PolarHBondContact O-NH2 3.48Å; A449-R489 VanDerWaalsContact O-NH2 3.15Å; V485-R489 HydrophobicContact CG1-CG 4.45Å; V485-R489 WeakPolarHBondContact O-CB 3.2Å; V485-R489 WeakPolarHBondContact O-CG 3.38Å; V485-R489 PolarHBondContact O-N 3.39Å; V486-R489 PolarHBondContact O-N 3.13Å; G487-R489 PolarHBondContact O-N 3.07Å; R489-N492 CarbonylContact O-C 3.6Å
490	K	83.9	Confident	80.2	Confident	162 Å²	162	58.5 Å²	58.5	70%	0.704	30%	0.297	S	S	*	.	H	α-helix	trans	-73.3	-38.1	172.7	-74.2	168.8	-178.4	170.2	0	112.4	V486 G487 W488	V486-K490 HydrophobicContact CG1-CD 4.29Å; V486-K490 WeakPolarHBondContact O-CG 3.39Å; V486-K490 PolarHBondContact O-N 2.99Å; G487-K490 PolarHBondContact O-N 3.31Å; G487-K490 VanDerWaalsContact O-N 3.16Å; W488-K490 VanDerWaalsContact C-N 3.32Å; W488-K490 PolarHBondContact O-N 3.24Å
491	K	82.9	Confident	78.7	Confident	103 Å²	103	57 Å²	57	45%	0.448	29%	0.289	S	S	.	.	H	α-helix	trans	-66	-42.7	175.8	-173.2	-166.8	173.2	-159.5	0	111.7	G487 W488 D534	G487-K491 PolarHBondContact O-N 3.06Å; W488-K491 PolarHBondContact O-N 3.18Å; K491-D534 VanDerWaalsContact NZ-CG 3.34Å; K491-D534 IonicContact NZ-OD1 3.46Å; K491-D534 PolarHBondContact NZ-OD1 3.48Å; K491-D534 IonicContact NZ-OD2 3.99Å; K491-D534 PolarHBondContact NZ-OD2 3.2Å
492	N	81.3	Confident	76.9	Confident	4 Å²	4	58.8 Å²	58.8	2%	0.021	30%	0.304	C	S	.	.	S	Bend	trans	-102.9	74.3	-178.1	-56	-88.2	0	0	0	109.7	L445 W488 R489 K494 H530	L445-N492 HydrophobicContact CD1-CB 3.79Å; L445-N492 HydrophobicContact CD2-CB 3.78Å; L445-N492 HydrophobicContact CG-CB 4.47Å; W488-N492 PolarHBondContact O-N 3.01Å; W488-N492 PolarHBondContact O-ND2 3.21Å; R489-N492 CarbonylContact O-C 3.6Å; N492-K494 PolarHBondContact O-N 2.81Å; N492-H530 HydrophobicContact CB-CB 4.2Å; N492-H530 PolarHBondContact O-ND1 3.02Å
493	K	81.2	Confident	75	Confident	116 Å²	116	61.9 Å²	61.9	50%	0.504	32%	0.323	S	S	.	.			trans	-59.4	126.9	-173.8	175.8	171.4	156.1	-113.4	0	111.3	H530 E531	K493-H530 CarbonylContact O-C 3.6Å; K493-H530 VanDerWaalsContact O-CA 3.3Å; K493-H530 WeakPolarHBondContact O-CA 3.44Å; K493-E531 HydrophobicContact CB-CB 4.45Å; K493-E531 HydrophobicContact CB-CG 4.49Å; K493-E531 IonicContact NZ-OE1 3.62Å; K493-E531 PolarHBondContact NZ-OE1 2.84Å; K493-E531 IonicContact NZ-OE2 3.59Å; K493-E531 PolarHBondContact O-N 2.74Å
494	K	82.2	Confident	73.2	Confident	74 Å²	74	63.7 Å²	63.7	32%	0.322	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	127.1	178.2	-162.6	-174.2	-60.9	173	0	110.1	N492 E497	N492-K494 PolarHBondContact O-N 2.81Å; K494-E497 HydrophobicContact CD-CB 3.92Å; K494-E497 HydrophobicContact CD-CG 4.21Å; K494-E497 WeakPolarHBondContact CD-OE2 3.31Å; K494-E497 IonicContact NZ-OE1 3.47Å; K494-E497 PolarHBondContact NZ-OE1 2.95Å; K494-E497 IonicContact NZ-OE2 2.7Å; K494-E497 PolarHBondContact NZ-OE2 3.47Å
495	V	83.1	Confident	71.7	Confident	58 Å²	58	61.6 Å²	61.6	35%	0.352	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-44.6	-177.9	-175.1	0	0	0	0	111.1	I529 E531 Y540 F608	V495-I529 PolarHBondContact N-O 2.88Å; V495-E531 HydrophobicContact CG2-CG 3.75Å; V495-Y540 HydrophobicContact CG2-CD1 4.26Å; V495-Y540 HydrophobicContact CG2-CE1 3.9Å; V495-F608 HydrophobicContact CG1-CD2 3.96Å
496	C	79.8	Confident	69.4	Low	13 Å²	13	64.8 Å²	64.8	9%	0.088	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	148	177.9	-179.8	0	0	0	0	110.1	S528 I529 F608	C496-S528 WeakPolarHBondContact O-CA 3.4Å; C496-I529 HydrophobicContact CB-CB 4.48Å; C496-I529 PolarHBondContact N-O 2.9Å; C496-I529 PolarHBondContact O-N 3.08Å; C496-F608 HydrophobicContact CB-CB 3.61Å
497	E	76.7	Confident	66.7	Low	45 Å²	45	63.8 Å²	63.8	21%	0.21	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	136.1	174.9	-164.2	168.3	-175.4	0	0	110.3	K448 K494 P499 K526	K448-E497 WeakPolarHBondContact CE-OE1 3.49Å; K448-E497 WeakPolarHBondContact CE-OE2 3.37Å; K448-E497 WeakPolarHBondContact CG-OE1 3.47Å; K494-E497 HydrophobicContact CD-CB 3.92Å; K494-E497 HydrophobicContact CD-CG 4.21Å; K494-E497 WeakPolarHBondContact CD-OE2 3.31Å; K494-E497 IonicContact NZ-OE1 3.47Å; K494-E497 PolarHBondContact NZ-OE1 2.95Å; K494-E497 IonicContact NZ-OE2 2.7Å; K494-E497 PolarHBondContact NZ-OE2 3.47Å; E497-P499 VanDerWaalsContact C-CD 3.41Å; E497-P499 HydrophobicContact CG-CG 4.4Å; E497-P499 WeakPolarHBondContact O-CD 3.42Å; E497-K526 WeakPolarHBondContact OE1-CE 3.33Å; E497-K526 IonicContact OE1-NZ 3.37Å; E497-K526 PolarHBondContact OE1-NZ 2.93Å
498	I	71.4	Confident	64	Low	1 Å²	1	64.6 Å²	64.6	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	92.9	164.8	-71.9	-174	0	0	0	106	Q507 V527 F615	I498-Q507 HydrophobicContact CB-CB 4.44Å; I498-Q507 HydrophobicContact CG2-CB 3.65Å; I498-V527 HydrophobicContact CB-CB 4.03Å; I498-V527 HydrophobicContact CB-CG2 4.21Å; I498-V527 HydrophobicContact CG2-CG2 4.21Å; I498-V527 PolarHBondContact N-O 3.07Å; I498-V527 PolarHBondContact O-N 2.85Å; I498-V527 VanDerWaalsContact O-N 3.11Å; I498-F615 HydrophobicContact CD1-CE2 4.11Å; I498-F615 HydrophobicContact CD1-CZ 3.57Å; I498-F615 HydrophobicContact CG1-CZ 4.25Å
499	P	64.1	Low	61.4	Low	25 Å²	25	65.3 Å²	65.3	16%	0.162	33%	0.334	C	S	.	.			trans	-56	173.5	170.7	-22.7	25.6	0	0	0	114	E497 N501 Q507	E497-P499 VanDerWaalsContact C-CD 3.41Å; E497-P499 HydrophobicContact CG-CG 4.4Å; E497-P499 WeakPolarHBondContact O-CD 3.42Å; P499-N501 PolarHBondContact O-N 3.34Å; P499-Q507 VanDerWaalsContact CD-CD 3.43Å; P499-Q507 WeakPolarHBondContact O-CB 3.29Å; P499-Q507 PolarHBondContact O-N 3.12Å
500	F	60.2	Low	58.6	Low	104 Å²	104	66.3 Å²	66.3	46%	0.456	36%	0.359	S	S	.	.			trans	-70.2	130.2	177.4	170.2	-124.1	0	0	0	111.7	A524	F500-A524 HydrophobicContact CD2-CB 3.41Å; F500-A524 VanDerWaalsContact CD2-CB 3.41Å; F500-A524 HydrophobicContact CE2-CB 3.14Å; F500-A524 HydrophobicContact CG-CB 4.26Å; F500-A524 HydrophobicContact CZ-CB 3.77Å
501	N	54.5	Low	55.8	Low	35 Å²	35	64.3 Å²	64.3	19%	0.187	36%	0.364	C	S	.	.			trans	-128.8	131	172	175.5	-27.4	0	0	0	109.8	P499 T503 K505 Y506 Q507 V508	P499-N501 PolarHBondContact O-N 3.34Å; N501-T503 PolarHBondContact OD1-N 3.31Å; N501-K505 WeakPolarHBondContact O-CA 3.31Å; N501-K505 PolarHBondContact O-N 3.11Å; N501-Y506 WeakPolarHBondContact CB-O 3.15Å; N501-Q507 HydrophobicContact CB-CB 4.05Å; N501-V508 PolarHBondContact ND2-O 3.46Å
502	S	45.5	Very low	53	Low	99 Å²	99	67.4 Å²	67.4	69%	0.692	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-27.9	-175.1	48.8	0	0	0	0	114.9
503	T	43.3	Very low	50.3	Low	119 Å²	119	73.6 Å²	73.6	73%	0.73	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-49.5	-172.6	-46.4	0	0	0	0	111.4	N501	N501-T503 PolarHBondContact OD1-N 3.31Å
504	N	45.3	Very low	47.9	Very low	62 Å²	62	76 Å²	76	33%	0.332	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-16.6	-173	-86.2	0.6	0	0	0	113	Y506	N504-Y506 HydrophobicContact CB-CD1 3.79Å; N504-Y506 HydrophobicContact CB-CD2 3.95Å; N504-Y506 HydrophobicContact CB-CE1 3.66Å; N504-Y506 HydrophobicContact CB-CE2 3.83Å; N504-Y506 HydrophobicContact CB-CG 3.92Å; N504-Y506 WeakPolarHBondContact CB-O 3.32Å; N504-Y506 VanDerWaalsContact ND2-CE2 3.27Å; N504-Y506 WeakPolarHBondContact ND2-CE2 3.34Å; N504-Y506 WeakPolarHBondContact O-CD1 3.49Å; N504-Y506 VanDerWaalsContact O-CE1 3.24Å; N504-Y506 WeakPolarHBondContact O-CE1 3.37Å; N504-Y506 PolarHBondContact O-N 3.48Å
505	K	50.9	Low	45.2	Very low	56 Å²	56	76.7 Å²	76.7	24%	0.243	45%	0.45	C	S	.	.	S	Bend	trans	59	15.3	-159.7	-53.4	-173.8	173.9	-167.5	0	113.3	N501 Y523 N525 R550	N501-K505 WeakPolarHBondContact O-CA 3.31Å; N501-K505 PolarHBondContact O-N 3.11Å; K505-Y523 WeakPolarHBondContact CD-O 3.39Å; K505-N525 WeakPolarHBondContact O-CB 3.48Å; K505-N525 PolarHBondContact O-N 3.41Å; K505-R550 HydrophobicContact CD-CG 4.32Å
506	Y	36.4	Very low	42.7	Very low	70 Å²	70	85.1 Å²	85.1	28%	0.275	48%	0.476	S	S	.	.	S	Bend	trans	-154.4	147.2	170.4	60.7	-93.4	0	0	0	108.5	N501 N504 V508	N501-Y506 WeakPolarHBondContact CB-O 3.15Å; N504-Y506 HydrophobicContact CB-CD1 3.79Å; N504-Y506 HydrophobicContact CB-CD2 3.95Å; N504-Y506 HydrophobicContact CB-CE1 3.66Å; N504-Y506 HydrophobicContact CB-CE2 3.83Å; N504-Y506 HydrophobicContact CB-CG 3.92Å; N504-Y506 WeakPolarHBondContact CB-O 3.32Å; N504-Y506 VanDerWaalsContact ND2-CE2 3.27Å; N504-Y506 WeakPolarHBondContact ND2-CE2 3.34Å; N504-Y506 WeakPolarHBondContact O-CD1 3.49Å; N504-Y506 VanDerWaalsContact O-CE1 3.24Å; N504-Y506 WeakPolarHBondContact O-CE1 3.37Å; N504-Y506 PolarHBondContact O-N 3.48Å; Y506-V508 HydrophobicContact CD2-CG2 4.04Å; Y506-V508 HydrophobicContact CE2-CG2 3.77Å
507	Q	29.1	Very low	40	Very low	50 Å²	50	89.5 Å²	89.5	23%	0.234	51%	0.507	C	S	.	.			trans	-76.1	135.9	177.3	160.8	168.8	-31.6	0	0	113.7	I498 P499 N501	I498-Q507 HydrophobicContact CB-CB 4.44Å; I498-Q507 HydrophobicContact CG2-CB 3.65Å; P499-Q507 VanDerWaalsContact CD-CD 3.43Å; P499-Q507 WeakPolarHBondContact O-CB 3.29Å; P499-Q507 PolarHBondContact O-N 3.12Å; N501-Q507 HydrophobicContact CB-CB 4.05Å
508	V	27	Very low	37.6	Very low	37 Å²	37	94 Å²	94	22%	0.224	54%	0.543	C	S	.	.			trans	-147.1	144.4	154.2	174.3	0	0	0	0	106.6	N501 Y506 D611 Q613	N501-V508 PolarHBondContact ND2-O 3.46Å; Y506-V508 HydrophobicContact CD2-CG2 4.04Å; Y506-V508 HydrophobicContact CE2-CG2 3.77Å; V508-D611 HydrophobicContact CG1-CB 4.5Å; V508-Q613 VanDerWaalsContact CG2-NE2 3.34Å
509	S	25.2	Very low	35.4	Very low	91 Å²	91	99.8 Å²	99.8	64%	0.636	58%	0.583	S	S	*	*			trans	-114.8	96.4	169.7	-81.9	0	0	0	0	111.6	D611	S509-D611 PolarHBondContact N-OD1 2.82Å
510	G	27	Very low	33.5	Very low	69 Å²	69	101.6 Å²	101.6	71%	0.711	61%	0.606	S	S	*	*			trans	-177.9	111	176.9	0	0	0	0	0	113.8
511	C	24.7	Very low	32	Very low	120 Å²	120	103.1 Å²	103.1	81%	0.811	62%	0.617	S	S	*	*			trans	-28.6	137	-175.3	-133.4	0	0	0	0	121.9
512	E	23.7	Very low	30.6	Very low	168 Å²	168	107 Å²	107	79%	0.785	64%	0.642	S	S	*	*			trans	90.4	128.4	136.5	-102.3	-174.9	152.6	0	0	125
513	L	25.8	Very low	30.2	Very low	133 Å²	133	106.8 Å²	106.8	70%	0.696	63%	0.627	S	S	*	*			trans	89.7	116	145.9	-80.7	154.5	0	0	0	123.3
514	L	29.7	Very low	30	Very low	167 Å²	167	102.5 Å²	102.5	87%	0.874	60%	0.604	S	S	*	*			trans	96.1	112.2	147.6	-61.7	171.2	0	0	0	120.9
515	A	25.4	Very low	29.9	Very low	89 Å²	89	100 Å²	100	74%	0.736	59%	0.59	S	S	*	*			trans	-70.2	161.6	-178.9	0	0	0	0	0	116.3
516	Y	30.1	Very low	29.7	Very low	234 Å²	234	97.8 Å²	97.8	92%	0.918	58%	0.581	S	S	*	*				-154.2	158.2	126	-108.6	-75.6	0	0	0	111.3
517	S	24.3	Very low	30.7	Very low	105 Å²	105	94.7 Å²	94.7	73%	0.734	57%	0.569	S	S	*	*			trans	-79.6	144.7	-163.4	56.2	0	0	0	0	116.4
518	C	26.5	Very low	32.2	Very low	141 Å²	141	92.3 Å²	92.3	95%	0.953	56%	0.558	S	S	*	*			trans	-157.2	155.2	138.8	-126.1	0	0	0	0	112.3
519	S	25.4	Very low	34.2	Very low	122 Å²	122	90.6 Å²	90.6	85%	0.853	55%	0.548	S	S	*	.			trans	-98.4	141.7	-164.4	-168.1	0	0	0	0	114
520	G	24.2	Very low	36.5	Very low	63 Å²	63	86.4 Å²	86.4	65%	0.649	52%	0.518	S	S	*	.			trans	81.1	140.3	159.2	0	0	0	0	0	117.6
521	I	27.4	Very low	38.8	Very low	135 Å²	135	85.3 Å²	85.3	69%	0.692	49%	0.494	S	S	*	.			trans	82.6	120.9	170.3	-50.9	169.3	0	0	0	115.5	Y523	I521-Y523 HydrophobicContact CG2-CD2 3.59Å; I521-Y523 HydrophobicContact CG2-CE2 3.23Å
522	V	24.8	Very low	41.1	Very low	117 Å²	117	80.1 Å²	80.1	71%	0.709	46%	0.458	S	S	*	.			trans	-118.5	98.2	-167	-179.6	0	0	0	0	111.1
523	Y	37.8	Very low	43.3	Very low	94 Å²	94	77.4 Å²	77.4	37%	0.369	45%	0.445	S	S	.	.			trans	-137.5	158.9	172.4	-57	-56.3	0	0	0	111.9	K505 I521	K505-Y523 WeakPolarHBondContact CD-O 3.39Å; I521-Y523 HydrophobicContact CG2-CD2 3.59Å; I521-Y523 HydrophobicContact CG2-CE2 3.23Å
524	A	39.8	Very low	45.3	Very low	30 Å²	30	75 Å²	75	25%	0.248	43%	0.433	C	S	.	.			trans	-139.3	139.3	-144.9	0	0	0	0	0	113.4	F500 G546 A547	F500-A524 HydrophobicContact CD2-CB 3.41Å; F500-A524 VanDerWaalsContact CD2-CB 3.41Å; F500-A524 HydrophobicContact CE2-CB 3.14Å; F500-A524 HydrophobicContact CG-CB 4.26Å; F500-A524 HydrophobicContact CZ-CB 3.77Å; A524-G546 CarbonylContact O-C 3.59Å; A524-G546 WeakPolarHBondContact O-CA 3.21Å; A524-A547 PolarHBondContact O-N 2.8Å; A524-A547 VanDerWaalsContact O-N 3.11Å
525	N	42.7	Very low	47.2	Very low	9 Å²	9	69.6 Å²	69.6	5%	0.048	41%	0.405	C	S	.	.			trans	-115.1	157.5	173.4	-52.5	1.9	0	0	0	113.2	K505 K545 G546 A547 I551	K505-N525 WeakPolarHBondContact O-CB 3.48Å; K505-N525 PolarHBondContact O-N 3.41Å; N525-K545 CarbonylContact C-O 3.42Å; N525-K545 VanDerWaalsContact CA-O 3.27Å; N525-K545 WeakPolarHBondContact CA-O 3.33Å; N525-G546 WeakPolarHBondContact OD1-CA 3.38Å; N525-A547 PolarHBondContact OD1-N 3.44Å; N525-I551 HydrophobicContact CB-CD1 4.29Å
526	K	47.5	Very low	49.4	Very low	10 Å²	10	70.9 Å²	70.9	4%	0.043	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	141.1	-179.4	-175.8	-170.8	-176.6	-172.5	0	109.9	C446 E471 E497 M544 K545	C446-K526 PolarHBondContact O-NZ 2.84Å; E471-K526 IonicContact OE1-NZ 3.45Å; E471-K526 PolarHBondContact OE1-NZ 2.95Å; E471-K526 IonicContact OE2-NZ 3.71Å; E497-K526 WeakPolarHBondContact OE1-CE 3.33Å; E497-K526 IonicContact OE1-NZ 3.37Å; E497-K526 PolarHBondContact OE1-NZ 2.93Å; K526-M544 VanDerWaalsContact O-CA 3.32Å; K526-M544 WeakPolarHBondContact O-CA 3.48Å; K526-M544 WeakPolarHBondContact O-CG 3.35Å; K526-K545 HydrophobicContact CB-CG 4.39Å; K526-K545 PolarHBondContact N-O 2.64Å; K526-K545 PolarHBondContact O-N 3.44Å
527	V	55.6	Low	51.5	Low	4 Å²	4	64.8 Å²	64.8	2%	0.024	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	141.9	-179.4	-158.5	0	0	0	0	110.5	I498 L542 V543 M544 F615 L617	I498-V527 HydrophobicContact CB-CB 4.03Å; I498-V527 HydrophobicContact CB-CG2 4.21Å; I498-V527 HydrophobicContact CG2-CG2 4.21Å; I498-V527 PolarHBondContact N-O 3.07Å; I498-V527 PolarHBondContact O-N 2.85Å; I498-V527 VanDerWaalsContact O-N 3.11Å; V527-L542 HydrophobicContact CG1-CD1 4.33Å; V527-L542 HydrophobicContact CG1-CD2 3.87Å; V527-L542 HydrophobicContact CG1-CG 3.93Å; V527-V543 WeakPolarHBondContact CA-O 3.38Å; V527-M544 HydrophobicContact CG1-CB 4.33Å; V527-M544 HydrophobicContact CG1-CE 4.29Å; V527-M544 HydrophobicContact CG2-CE 3.7Å; V527-M544 HydrophobicContact CG2-CG 4.09Å; V527-M544 HydrophobicContact CG2-SD 4.48Å; V527-F615 HydrophobicContact CG1-CE2 4.38Å; V527-L617 HydrophobicContact CG2-CD2 4.21Å
528	S	61.6	Low	54.1	Low	1 Å²	1	63.3 Å²	63.3	1%	0.007	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	150.3	164.9	53.1	0	0	0	0	112.1	C496 H530 V543	C496-S528 WeakPolarHBondContact O-CA 3.4Å; S528-H530 WeakPolarHBondContact CB-NE2 3.49Å; S528-H530 PolarHBondContact OG-NE2 2.73Å; S528-V543 PolarHBondContact N-O 3Å; S528-V543 WeakPolarHBondContact O-CG2 2.93Å; S528-V543 PolarHBondContact O-N 3.18Å; S528-V543 WeakPolarHBondContact OG-CG2 3.35Å
529	I	68.6	Low	56.4	Low	1 Å²	1	56.7 Å²	56.7	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.6	178.2	-58.1	177.3	0	0	0	108.1	V495 C496 Y540 L541 L542 L597 F608 F615	V495-I529 PolarHBondContact N-O 2.88Å; C496-I529 HydrophobicContact CB-CB 4.48Å; C496-I529 PolarHBondContact N-O 2.9Å; C496-I529 PolarHBondContact O-N 3.08Å; I529-Y540 HydrophobicContact CG2-CD1 4.25Å; I529-Y540 HydrophobicContact CG2-CG 4.24Å; I529-L541 WeakPolarHBondContact CA-O 3.46Å; I529-L542 HydrophobicContact CD1-CD1 4.43Å; I529-L542 HydrophobicContact CG1-CB 4.34Å; I529-L542 HydrophobicContact CG1-CD1 4.38Å; I529-L542 HydrophobicContact CG1-CG 4.25Å; I529-L597 HydrophobicContact CD1-CD1 4.46Å; I529-L597 HydrophobicContact CG2-CD1 4.32Å; I529-F608 HydrophobicContact CD1-CB 4.26Å; I529-F608 HydrophobicContact CD1-CD1 3.44Å; I529-F608 VanDerWaalsContact CD1-CD1 3.44Å; I529-F608 HydrophobicContact CD1-CD2 4.35Å; I529-F608 HydrophobicContact CD1-CE1 3.76Å; I529-F608 HydrophobicContact CD1-CG 3.76Å; I529-F608 HydrophobicContact CD1-CZ 4.34Å; I529-F608 HydrophobicContact CG2-CD2 4.12Å; I529-F608 HydrophobicContact CG2-CE1 4.46Å; I529-F608 HydrophobicContact CG2-CE2 3.82Å; I529-F608 HydrophobicContact CG2-CZ 4Å; I529-F615 HydrophobicContact CD1-CB 4.21Å; I529-F615 HydrophobicContact CD1-CD1 3.69Å; I529-F615 HydrophobicContact CD1-CD2 3.91Å; I529-F615 HydrophobicContact CD1-CE1 3.9Å; I529-F615 HydrophobicContact CD1-CE2 4.09Å; I529-F615 HydrophobicContact CD1-CG 3.68Å; I529-F615 HydrophobicContact CD1-CZ 4.07Å
530	H	73.9	Confident	59.2	Low	3 Å²	3	51.4 Å²	51.4	1%	0.014	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	144.9	-174.8	-64.9	-106	0	0	0	111.2	L445 N492 K493 S528 F532 Y540 L541	L445-H530 HydrophobicContact CD1-CB 4.48Å; N492-H530 HydrophobicContact CB-CB 4.2Å; N492-H530 PolarHBondContact O-ND1 3.02Å; K493-H530 CarbonylContact O-C 3.6Å; K493-H530 VanDerWaalsContact O-CA 3.3Å; K493-H530 WeakPolarHBondContact O-CA 3.44Å; S528-H530 WeakPolarHBondContact CB-NE2 3.49Å; S528-H530 PolarHBondContact OG-NE2 2.73Å; H530-F532 PolarHBondContact O-N 3.18Å; H530-Y540 CarbonylContact O-C 3.53Å; H530-Y540 VanDerWaalsContact O-CA 3.27Å; H530-Y540 WeakPolarHBondContact O-CA 3.39Å; H530-L541 PolarHBondContact N-O 3.39Å; H530-L541 PolarHBondContact O-N 3.21Å
531	E	75.3	Confident	62.1	Low	46 Å²	46	48.4 Å²	48.4	22%	0.215	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	127.6	167.2	-71.8	166.7	-158.5	0	0	109.2	K493 V495 Y540	K493-E531 HydrophobicContact CB-CB 4.45Å; K493-E531 HydrophobicContact CB-CG 4.49Å; K493-E531 IonicContact NZ-OE1 3.62Å; K493-E531 PolarHBondContact NZ-OE1 2.84Å; K493-E531 IonicContact NZ-OE2 3.59Å; K493-E531 PolarHBondContact O-N 2.74Å; V495-E531 HydrophobicContact CG2-CG 3.75Å; E531-Y540 HydrophobicContact CG-CD1 4.47Å; E531-Y540 HydrophobicContact CG-CE1 4.01Å
532	F	73.5	Confident	65	Low	11 Å²	11	42 Å²	42	5%	0.048	22%	0.221	C	C	.	.			trans	-113.4	134.2	179.9	-167.5	-117	0	0	0	110.2	H530 D534 D535 A539 L541 L596	H530-F532 PolarHBondContact O-N 3.18Å; F532-D534 HydrophobicContact CE1-CB 4.21Å; F532-D534 HydrophobicContact CE2-CB 4.02Å; F532-D534 HydrophobicContact CZ-CB 3.68Å; F532-D535 HydrophobicContact CD1-CB 4.49Å; F532-D535 HydrophobicContact CE1-CB 3.83Å; F532-A539 PolarHBondContact N-O 2.94Å; F532-L541 HydrophobicContact CB-CB 4.19Å; F532-L541 HydrophobicContact CD2-CB 4.21Å; F532-L541 HydrophobicContact CD2-CD2 4.49Å; F532-L541 HydrophobicContact CG-CB 4.34Å; F532-L596 HydrophobicContact CD1-CD2 3.86Å; F532-L596 HydrophobicContact CE1-CD2 3.71Å; F532-L596 HydrophobicContact CG-CD2 4.38Å; F532-L596 HydrophobicContact CZ-CD2 4.14Å
533	H	68.7	Low	68.1	Low	110 Å²	110	36.4 Å²	36.4	51%	0.509	19%	0.188	S	C	.	.			trans	-127.3	-4.2	-171.9	-65.1	-41.5	0	0	0	114.2
534	D	69.2	Low	70.5	Confident	84 Å²	84	32.1 Å²	32.1	45%	0.449	17%	0.171	S	C	.	.	S	Bend	trans	-87.9	-18.9	-173.1	-60.3	-34	0	0	0	113.3	K491 F532	K491-D534 VanDerWaalsContact NZ-CG 3.34Å; K491-D534 IonicContact NZ-OD1 3.46Å; K491-D534 PolarHBondContact NZ-OD1 3.48Å; K491-D534 IonicContact NZ-OD2 3.99Å; K491-D534 PolarHBondContact NZ-OD2 3.2Å; F532-D534 HydrophobicContact CE1-CB 4.21Å; F532-D534 HydrophobicContact CE2-CB 4.02Å; F532-D534 HydrophobicContact CZ-CB 3.68Å
535	D	69.9	Low	72.9	Confident	52 Å²	52	31.3 Å²	31.3	28%	0.278	16%	0.162	S	C	.	.			trans	-129.4	124.3	174.3	-172.1	-35.8	0	0	0	110.6	F532 N537 Y538	F532-D535 HydrophobicContact CD1-CB 4.49Å; F532-D535 HydrophobicContact CE1-CB 3.83Å; D535-N537 PolarHBondContact O-N 2.97Å; D535-N537 VanDerWaalsContact O-N 3.15Å; D535-N537 WeakPolarHBondContact OD1-CB 3.36Å; D535-N537 PolarHBondContact OD1-N 3.39Å; D535-N537 PolarHBondContact OD1-ND2 3.46Å; D535-Y538 HydrophobicContact CB-CD2 4.02Å; D535-Y538 PolarHBondContact O-N 2.88Å
536	P	70.9	Confident	74.9	Confident	117 Å²	117	31 Å²	31	76%	0.76	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-8	-178.9	29.4	-37.1	0	0	0	115.3	I599	P536-I599 WeakPolarHBondContact O-CD1 3.39Å
537	N	74.9	Confident	76.6	Confident	105 Å²	105	30.5 Å²	30.5	56%	0.561	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-14.4	178.1	-58.4	-69.5	0	0	0	113.6	D535 I599	D535-N537 PolarHBondContact O-N 2.97Å; D535-N537 VanDerWaalsContact O-N 3.15Å; D535-N537 WeakPolarHBondContact OD1-CB 3.36Å; D535-N537 PolarHBondContact OD1-N 3.39Å; D535-N537 PolarHBondContact OD1-ND2 3.46Å; N537-I599 PolarHBondContact O-N 3.37Å; N537-I599 VanDerWaalsContact O-N 3.1Å
538	Y	77.9	Confident	78.1	Confident	74 Å²	74	30.3 Å²	30.3	29%	0.29	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	123.2	-172	-57.8	-80.2	0	0	0	110.4	D535 L596 P598	D535-Y538 HydrophobicContact CB-CD2 4.02Å; D535-Y538 PolarHBondContact O-N 2.88Å; Y538-L596 HydrophobicContact CD1-CB 3.54Å; Y538-L596 HydrophobicContact CD2-CB 4.32Å; Y538-L596 HydrophobicContact CD2-CD1 4.27Å; Y538-L596 HydrophobicContact CE1-CB 3.74Å; Y538-L596 HydrophobicContact CE2-CD1 4.22Å; Y538-L596 HydrophobicContact CG-CB 3.85Å; Y538-L596 HydrophobicContact CG-CD2 4.45Å; Y538-P598 HydrophobicContact CE1-CG 4.36Å
539	A	74.3	Confident	79.3	Confident	3 Å²	3	32.7 Å²	32.7	3%	0.025	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-27.3	179.8	0	0	0	0	0	112.3	F532 I599 Q604	F532-A539 PolarHBondContact N-O 2.94Å; A539-I599 HydrophobicContact CB-CD1 4.16Å; A539-I599 HydrophobicContact CB-CG1 3.56Å; A539-Q604 HydrophobicContact CB-CG 3.78Å
540	Y	83.9	Confident	80.1	Confident	11 Å²	11	37.6 Å²	37.6	4%	0.043	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	142.5	-169.9	-59.9	-70	0	0	0	112.3	V495 I529 H530 E531 L597 F602 P603 G605 F608	V495-Y540 HydrophobicContact CG2-CD1 4.26Å; V495-Y540 HydrophobicContact CG2-CE1 3.9Å; I529-Y540 HydrophobicContact CG2-CD1 4.25Å; I529-Y540 HydrophobicContact CG2-CG 4.24Å; H530-Y540 CarbonylContact O-C 3.53Å; H530-Y540 VanDerWaalsContact O-CA 3.27Å; H530-Y540 WeakPolarHBondContact O-CA 3.39Å; E531-Y540 HydrophobicContact CG-CD1 4.47Å; E531-Y540 HydrophobicContact CG-CE1 4.01Å; Y540-L597 PolarHBondContact O-N 3.22Å; Y540-F602 HydrophobicContact CD2-CB 4.11Å; Y540-P603 WeakPolarHBondContact CE2-O 3.3Å; Y540-G605 PolarHBondContact OH-N 3.04Å; Y540-F608 AromaticContact CD1-CE2 3.99Å; Y540-F608 HydrophobicContact CD1-CE2 3.99Å; Y540-F608 AromaticContact CD2-CE2 3.63Å; Y540-F608 HydrophobicContact CD2-CE2 3.63Å; Y540-F608 AromaticContact CD2-CZ 3.64Å; Y540-F608 HydrophobicContact CD2-CZ 3.64Å; Y540-F608 HydrophobicContact CE1-CE2 4.09Å; Y540-F608 AromaticContact CE2-CE2 3.72Å; Y540-F608 HydrophobicContact CE2-CE2 3.72Å; Y540-F608 HydrophobicContact CE2-CZ 4.07Å; Y540-F608 AromaticContact CG-CE2 3.76Å; Y540-F608 HydrophobicContact CG-CE2 3.76Å; Y540-F608 AromaticContact CG-CZ 3.92Å; Y540-F608 HydrophobicContact CG-CZ 3.92Å; Y540-F608 AromaticContact CZ-CE2 3.93Å
541	L	85.8	Confident	80.8	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	116.3	171.1	178.6	70.9	0	0	0	108.4	R441 L445 I529 H530 F532 V543 D594 L596	R441-L541 HydrophobicContact CG-CD2 4.35Å; L445-L541 HydrophobicContact CD1-CD2 4.3Å; I529-L541 WeakPolarHBondContact CA-O 3.46Å; H530-L541 PolarHBondContact N-O 3.39Å; H530-L541 PolarHBondContact O-N 3.21Å; F532-L541 HydrophobicContact CB-CB 4.19Å; F532-L541 HydrophobicContact CD2-CB 4.21Å; F532-L541 HydrophobicContact CD2-CD2 4.49Å; F532-L541 HydrophobicContact CG-CB 4.34Å; L541-V543 HydrophobicContact CD2-CG1 3.7Å; L541-V543 HydrophobicContact CG-CG1 3.71Å; L541-D594 HydrophobicContact CD1-CB 4.12Å; L541-L596 HydrophobicContact CD1-CD2 3.68Å; L541-L596 HydrophobicContact CD1-CG 4.24Å
542	L	88	Confident	81.4	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	126.5	166.9	-176.2	156.4	0	0	0	108	V527 I529 M544 D594 L595 L597 F615 P616 L620	V527-L542 HydrophobicContact CG1-CD1 4.33Å; V527-L542 HydrophobicContact CG1-CD2 3.87Å; V527-L542 HydrophobicContact CG1-CG 3.93Å; I529-L542 HydrophobicContact CD1-CD1 4.43Å; I529-L542 HydrophobicContact CG1-CB 4.34Å; I529-L542 HydrophobicContact CG1-CD1 4.38Å; I529-L542 HydrophobicContact CG1-CG 4.25Å; L542-M544 HydrophobicContact CD2-CB 4.47Å; L542-D594 CarbonylContact O-C 3.57Å; L542-D594 VanDerWaalsContact O-CA 3.25Å; L542-D594 WeakPolarHBondContact O-CA 3.5Å; L542-D594 WeakPolarHBondContact O-CB 3.22Å; L542-L595 HydrophobicContact CB-CB 4.4Å; L542-L595 PolarHBondContact N-O 3Å; L542-L595 PolarHBondContact O-N 3.2Å; L542-L597 HydrophobicContact CB-CD1 4.34Å; L542-L597 HydrophobicContact CB-CG 4.35Å; L542-F615 HydrophobicContact CD1-CD2 3.62Å; L542-F615 HydrophobicContact CD1-CE2 4.2Å; L542-F615 HydrophobicContact CD1-CG 4.46Å; L542-P616 WeakPolarHBondContact CD1-O 3.29Å; L542-L620 HydrophobicContact CD2-CD2 3.99Å
543	V	89.9	Confident	82.1	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	135.4	176.4	-60.3	0	0	0	0	109.7	V442 L445 C446 V527 S528 L541	V442-V543 HydrophobicContact CG1-CB 4.11Å; V442-V543 HydrophobicContact CG2-CB 4.2Å; V442-V543 HydrophobicContact CG2-CG1 3.91Å; L445-V543 HydrophobicContact CB-CG2 4.33Å; C446-V543 HydrophobicContact CB-CB 4.41Å; C446-V543 HydrophobicContact CB-CG2 3.8Å; V527-V543 WeakPolarHBondContact CA-O 3.38Å; S528-V543 PolarHBondContact N-O 3Å; S528-V543 WeakPolarHBondContact O-CG2 2.93Å; S528-V543 PolarHBondContact O-N 3.18Å; S528-V543 WeakPolarHBondContact OG-CG2 3.35Å; L541-V543 HydrophobicContact CD2-CG1 3.7Å; L541-V543 HydrophobicContact CG-CG1 3.71Å
544	M	88.2	Confident	83	Confident	4 Å²	4	39.5 Å²	39.5	2%	0.02	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	140.7	178.9	-177.7	-170.2	-59.6	0	0	110.3	K526 V527 L542 I551 C593 L617 L620	K526-M544 VanDerWaalsContact O-CA 3.32Å; K526-M544 WeakPolarHBondContact O-CA 3.48Å; K526-M544 WeakPolarHBondContact O-CG 3.35Å; V527-M544 HydrophobicContact CG1-CB 4.33Å; V527-M544 HydrophobicContact CG1-CE 4.29Å; V527-M544 HydrophobicContact CG2-CE 3.7Å; V527-M544 HydrophobicContact CG2-CG 4.09Å; V527-M544 HydrophobicContact CG2-SD 4.48Å; L542-M544 HydrophobicContact CD2-CB 4.47Å; M544-I551 HydrophobicContact CG-CD1 3.61Å; M544-I551 HydrophobicContact SD-CD1 3.55Å; M544-I551 VanDerWaalsContact SD-CD1 3.55Å; M544-C593 PolarHBondContact N-O 2.68Å; M544-C593 PolarHBondContact O-N 3.24Å; M544-L617 HydrophobicContact CE-CD2 3.89Å; M544-L620 HydrophobicContact CB-CD1 4.47Å; M544-L620 HydrophobicContact CE-CD1 3.48Å; M544-L620 VanDerWaalsContact CE-CD1 3.48Å; M544-L620 HydrophobicContact SD-CD1 3.85Å
545	K	90.4	Very high	84	Confident	13 Å²	13	36.1 Å²	36.1	6%	0.057	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	157.4	169.6	77.4	-177	-173.8	-166.8	0	110.5	C446 E471 L474 N525 K526 G591 F592	C446-K545 HydrophobicContact CB-CD 4.32Å; C446-K545 WeakPolarHBondContact O-CD 3.49Å; C446-K545 WeakPolarHBondContact O-CE 3.5Å; C446-K545 PolarHBondContact O-NZ 3.37Å; E471-K545 WeakPolarHBondContact OE1-CE 3.36Å; E471-K545 IonicContact OE1-NZ 2.7Å; E471-K545 PolarHBondContact OE1-NZ 2.78Å; L474-K545 HydrophobicContact CD1-CD 4.43Å; N525-K545 CarbonylContact C-O 3.42Å; N525-K545 VanDerWaalsContact CA-O 3.27Å; N525-K545 WeakPolarHBondContact CA-O 3.33Å; K526-K545 HydrophobicContact CB-CG 4.39Å; K526-K545 PolarHBondContact N-O 2.64Å; K526-K545 PolarHBondContact O-N 3.44Å; K545-G591 CarbonylContact C-O 3.56Å; K545-G591 WeakPolarHBondContact CA-O 3.47Å; K545-F592 HydrophobicContact CB-CD1 3.67Å; K545-F592 HydrophobicContact CB-CE1 3.69Å; K545-F592 HydrophobicContact CB-CG 4.34Å; K545-F592 HydrophobicContact CB-CZ 4.36Å; K545-F592 HydrophobicContact CD-CE1 3.93Å; K545-F592 HydrophobicContact CD-CZ 4.49Å; K545-F592 HydrophobicContact CG-CE1 4.44Å
546	G	84.4	Confident	85	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.8	-149.1	172.2	0	0	0	0	0	117.1	A524 N525 L590 G591	A524-G546 CarbonylContact O-C 3.59Å; A524-G546 WeakPolarHBondContact O-CA 3.21Å; N525-G546 WeakPolarHBondContact OD1-CA 3.38Å; G546-L590 CarbonylContact O-C 3.55Å; G546-L590 WeakPolarHBondContact O-CA 3.19Å; G546-G591 PolarHBondContact N-O 3.49Å; G546-G591 PolarHBondContact O-N 3.2Å
547	A	83.8	Confident	86.1	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.156	C	C	.	.			trans	-62.1	127.5	177.8	0	0	0	0	0	109.6	A524 N525 E549 R550 I551	A524-A547 PolarHBondContact O-N 2.8Å; A524-A547 VanDerWaalsContact O-N 3.11Å; N525-A547 PolarHBondContact OD1-N 3.44Å; A547-E549 VanDerWaalsContact C-N 3.31Å; A547-E549 WeakPolarHBondContact CB-OE1 3.47Å; A547-E549 PolarHBondContact O-N 3.22Å; A547-R550 HydrophobicContact CB-CB 4.09Å; A547-R550 HydrophobicContact CB-CG 4.13Å; A547-R550 PolarHBondContact O-N 3.29Å; A547-I551 WeakPolarHBondContact O-CG1 3.43Å; A547-I551 PolarHBondContact O-N 2.9Å
548	P	87.6	Confident	86.9	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.006	13%	0.13	C	C	.	.	H	α-helix	trans	-47.5	-51.7	-174.3	-32.3	38	0	0	0	113	R550 I551 F552 F575 Y579 V589 L625	P548-R550 PolarHBondContact O-N 3.03Å; P548-I551 PolarHBondContact O-N 3.33Å; P548-F552 WeakPolarHBondContact O-CB 3.21Å; P548-F552 PolarHBondContact O-N 3.25Å; P548-F575 HydrophobicContact CB-CE2 4.34Å; P548-F575 HydrophobicContact CB-CZ 3.86Å; P548-F575 WeakPolarHBondContact O-CZ 3.33Å; P548-Y579 HydrophobicContact CB-CD2 4.03Å; P548-Y579 HydrophobicContact CB-CE2 4.05Å; P548-Y579 HydrophobicContact CB-CG 4.34Å; P548-Y579 HydrophobicContact CG-CD2 4.02Å; P548-Y579 HydrophobicContact CG-CE2 3.79Å; P548-V589 WeakPolarHBondContact CD-O 3.37Å; P548-V589 HydrophobicContact CG-CB 3.89Å; P548-V589 HydrophobicContact CG-CG1 3.79Å; P548-V589 WeakPolarHBondContact CG-O 3.5Å; P548-L625 HydrophobicContact CB-CD2 3.84Å; P548-L625 HydrophobicContact CG-CD2 4.13Å
549	E	86.9	Confident	87.5	Confident	50 Å²	50	24.5 Å²	24.5	23%	0.234	12%	0.119	C	C	.	.	H	α-helix	trans	-63.7	-40.6	-178.6	69.8	-69.7	163.4	0	0	112.7	A547 I551 F552 E553 Y579	A547-E549 VanDerWaalsContact C-N 3.31Å; A547-E549 WeakPolarHBondContact CB-OE1 3.47Å; A547-E549 PolarHBondContact O-N 3.22Å; E549-I551 VanDerWaalsContact C-N 3.33Å; E549-I551 PolarHBondContact O-N 3.44Å; E549-F552 PolarHBondContact O-N 3.49Å; E549-E553 WeakPolarHBondContact O-CB 3.42Å; E549-E553 VanDerWaalsContact O-CG 3.24Å; E549-E553 WeakPolarHBondContact O-CG 3.4Å; E549-E553 PolarHBondContact O-N 3.38Å; E549-Y579 PolarHBondContact OE2-OH 3.46Å
550	R	85.3	Confident	88.1	Confident	105 Å²	105	25 Å²	25	40%	0.396	12%	0.122	S	C	.	.	H	α-helix	trans	-75	-21.2	-179.8	-64.3	-58.8	-173.7	138.3	-4.7	114.1	K505 A547 P548 E553 R554	K505-R550 HydrophobicContact CD-CG 4.32Å; A547-R550 HydrophobicContact CB-CB 4.09Å; A547-R550 HydrophobicContact CB-CG 4.13Å; A547-R550 PolarHBondContact O-N 3.29Å; P548-R550 PolarHBondContact O-N 3.03Å; R550-E553 VanDerWaalsContact CD-OE2 3.25Å; R550-E553 WeakPolarHBondContact CD-OE2 3.4Å; R550-E553 IonicContact NE-OE2 2.63Å; R550-R554 WeakPolarHBondContact O-CG 3.18Å
551	I	87.5	Confident	87.9	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-81.6	-45.5	172.8	-65.6	-64.4	0	0	0	109.4	N525 M544 A547 P548 E549 E553 R554 C555 C593 F622	N525-I551 HydrophobicContact CB-CD1 4.29Å; M544-I551 HydrophobicContact CG-CD1 3.61Å; M544-I551 HydrophobicContact SD-CD1 3.55Å; M544-I551 VanDerWaalsContact SD-CD1 3.55Å; A547-I551 WeakPolarHBondContact O-CG1 3.43Å; A547-I551 PolarHBondContact O-N 2.9Å; P548-I551 PolarHBondContact O-N 3.33Å; E549-I551 VanDerWaalsContact C-N 3.33Å; E549-I551 PolarHBondContact O-N 3.44Å; I551-E553 PolarHBondContact O-N 3.5Å; I551-R554 PolarHBondContact O-N 3.41Å; I551-R554 VanDerWaalsContact O-N 3.14Å; I551-C555 PolarHBondContact O-N 2.88Å; I551-C555 PolarHBondContact O-SG 2.9Å; I551-C593 HydrophobicContact CG2-CB 4Å; I551-F622 HydrophobicContact CG2-CD2 4.01Å; I551-F622 HydrophobicContact CG2-CE2 3.95Å
552	F	89.3	Confident	87.3	Confident	18 Å²	18	37.2 Å²	37.2	8%	0.079	18%	0.184	C	C	.	.	H	α-helix	trans	-62.7	-42	178.6	-161.6	-96	0	0	0	112.3	P548 E549 R554 C555 V567 T572 F575 F622	P548-F552 WeakPolarHBondContact O-CB 3.21Å; P548-F552 PolarHBondContact O-N 3.25Å; E549-F552 PolarHBondContact O-N 3.49Å; F552-R554 PolarHBondContact O-N 3.05Å; F552-R554 VanDerWaalsContact O-N 3.09Å; F552-C555 PolarHBondContact O-N 3.41Å; F552-C555 VanDerWaalsContact O-N 3.08Å; F552-V567 HydrophobicContact CE1-CG1 3.72Å; F552-V567 HydrophobicContact CE2-CG1 4.45Å; F552-V567 HydrophobicContact CZ-CG1 3.59Å; F552-T572 HydrophobicContact CE1-CG2 4.09Å; F552-F575 HydrophobicContact CB-CD1 4.37Å; F552-F575 HydrophobicContact CB-CD2 4.38Å; F552-F575 HydrophobicContact CB-CE1 3.86Å; F552-F575 HydrophobicContact CB-CE2 3.83Å; F552-F575 HydrophobicContact CB-CZ 3.57Å; F552-F575 HydrophobicContact CD1-CD1 4.01Å; F552-F575 HydrophobicContact CD1-CE1 4.21Å; F552-F575 HydrophobicContact CD1-CG 4.34Å; F552-F575 HydrophobicContact CD2-CB 4.11Å; F552-F575 AromaticContact CD2-CD1 3.94Å; F552-F575 HydrophobicContact CD2-CD1 3.94Å; F552-F575 AromaticContact CD2-CD2 3.32Å; F552-F575 HydrophobicContact CD2-CD2 3.32Å; F552-F575 HydrophobicContact CD2-CE1 4.23Å; F552-F575 AromaticContact CD2-CE2 3.61Å; F552-F575 HydrophobicContact CD2-CE2 3.61Å; F552-F575 AromaticContact CD2-CG 3.5Å; F552-F575 HydrophobicContact CD2-CG 3.5Å; F552-F575 HydrophobicContact CD2-CZ 4.08Å; F552-F575 HydrophobicContact CE1-CD1 4.26Å; F552-F575 HydrophobicContact CE1-CG 4.39Å; F552-F575 HydrophobicContact CE2-CB 3.62Å; F552-F575 HydrophobicContact CE2-CD1 4.19Å; F552-F575 AromaticContact CE2-CD2 3.7Å; F552-F575 HydrophobicContact CE2-CD2 3.7Å; F552-F575 HydrophobicContact CE2-CE2 4.43Å; F552-F575 AromaticContact CE2-CG 3.56Å; F552-F575 HydrophobicContact CE2-CG 3.56Å; F552-F575 AromaticContact CG-CD1 3.84Å; F552-F575 HydrophobicContact CG-CD1 3.84Å; F552-F575 AromaticContact CG-CD2 3.95Å; F552-F575 HydrophobicContact CG-CD2 3.95Å; F552-F575 AromaticContact CG-CE1 3.84Å; F552-F575 HydrophobicContact CG-CE1 3.84Å; F552-F575 AromaticContact CG-CE2 3.9Å; F552-F575 HydrophobicContact CG-CE2 3.9Å; F552-F575 AromaticContact CG-CG 3.91Å; F552-F575 HydrophobicContact CG-CG 3.91Å; F552-F575 AromaticContact CG-CZ 3.88Å; F552-F575 HydrophobicContact CG-CZ 3.88Å; F552-F575 HydrophobicContact CZ-CB 3.86Å; F552-F575 HydrophobicContact CZ-CD1 4.34Å; F552-F575 HydrophobicContact CZ-CG 4.02Å; F552-F622 HydrophobicContact CB-CE2 4.34Å; F552-F622 AromaticContact CD2-CD2 3.84Å; F552-F622 HydrophobicContact CD2-CD2 3.84Å; F552-F622 AromaticContact CD2-CE2 3.91Å; F552-F622 HydrophobicContact CD2-CE2 3.91Å; F552-F622 HydrophobicContact CD2-CG 4.23Å; F552-F622 HydrophobicContact CD2-CZ 4.37Å
553	E	88	Confident	87.1	Confident	133 Å²	133	43.9 Å²	43.9	62%	0.621	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-25.5	173.7	-81	172.5	-178.4	0	0	114.3	E549 R550 I551	E549-E553 WeakPolarHBondContact O-CB 3.42Å; E549-E553 VanDerWaalsContact O-CG 3.24Å; E549-E553 WeakPolarHBondContact O-CG 3.4Å; E549-E553 PolarHBondContact O-N 3.38Å; R550-E553 VanDerWaalsContact CD-OE2 3.25Å; R550-E553 WeakPolarHBondContact CD-OE2 3.4Å; R550-E553 IonicContact NE-OE2 2.63Å; I551-E553 PolarHBondContact O-N 3.5Å
554	R	87.1	Confident	86.9	Confident	59 Å²	59	49.7 Å²	49.7	22%	0.223	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-7.2	-178.6	-64.8	-174.4	172.3	-83.9	9.4	113.9	R550 I551 F552 L617 D618 G619 L620	R550-R554 WeakPolarHBondContact O-CG 3.18Å; I551-R554 PolarHBondContact O-N 3.41Å; I551-R554 VanDerWaalsContact O-N 3.14Å; F552-R554 PolarHBondContact O-N 3.05Å; F552-R554 VanDerWaalsContact O-N 3.09Å; R554-L617 WeakPolarHBondContact CD-O 3.3Å; R554-D618 WeakPolarHBondContact CG-OD1 3.34Å; R554-D618 IonicContact CZ-OD1 3.74Å; R554-D618 IonicContact NH1-OD1 2.8Å; R554-D618 PolarHBondContact NH1-OD1 2.92Å; R554-D618 IonicContact NH1-OD2 3.25Å; R554-G619 PolarHBondContact O-N 3.13Å; R554-L620 HydrophobicContact CB-CD1 4.47Å; R554-L620 PolarHBondContact O-N 2.98Å; R554-L620 VanDerWaalsContact O-N 3.14Å
555	C	90.6	Very high	86.9	Confident	12 Å²	12	53.1 Å²	53.1	8%	0.081	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	135.4	-177.5	-64.1	0	0	0	0	111.4	I551 F552 C593 L620 F622	I551-C555 PolarHBondContact O-N 2.88Å; I551-C555 PolarHBondContact O-SG 2.9Å; F552-C555 PolarHBondContact O-N 3.41Å; F552-C555 VanDerWaalsContact O-N 3.08Å; C555-C593 VanDerWaalsContact SG-CB 3.52Å; C555-L620 CarbonylContact C-O 3.58Å; C555-L620 VanDerWaalsContact CA-O 3.23Å; C555-L620 WeakPolarHBondContact CA-O 3.34Å; C555-L620 WeakPolarHBondContact CB-O 3.45Å; C555-F622 HydrophobicContact CB-CB 3.83Å
556	S	91.1	Very high	86.8	Confident	60 Å²	60	55.9 Å²	55.9	42%	0.42	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	-20.6	174.2	59.9	0	0	0	0	112.7	V567 G619 L620	S556-V567 PolarHBondContact O-N 3.45Å; S556-G619 WeakPolarHBondContact OG-CA 3.35Å; S556-G619 PolarHBondContact OG-O 2.95Å; S556-L620 PolarHBondContact N-O 2.98Å
557	T	93	Very high	87	Confident	33 Å²	33	57.8 Å²	57.8	20%	0.202	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	157.8	178.7	57.6	0	0	0	0	111.3	H565 L620 R621 F622	T557-H565 CarbonylContact C-O 3.58Å; T557-H565 WeakPolarHBondContact CA-O 3.47Å; T557-H565 WeakPolarHBondContact CB-O 3.22Å; T557-L620 PolarHBondContact N-O 3.15Å; T557-R621 CarbonylContact O-C 3.26Å; T557-R621 WeakPolarHBondContact O-CA 3.43Å; T557-R621 WeakPolarHBondContact OG1-CA 3.24Å; T557-F622 PolarHBondContact O-N 3.41Å
558	I	92.5	Very high	87.2	Confident	4 Å²	4	61.7 Å²	61.7	2%	0.021	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	136.6	174.1	-174	162.9	0	0	0	109.9	W410 Q564 H565 V567 W571 F622	W410-I558 HydrophobicContact CH2-CD1 3.98Å; W410-I558 HydrophobicContact CZ3-CD1 4.18Å; I558-Q564 WeakPolarHBondContact O-CA 3.11Å; I558-H565 HydrophobicContact CG2-CB 3.91Å; I558-H565 PolarHBondContact N-O 2.89Å; I558-H565 PolarHBondContact O-N 3.17Å; I558-V567 HydrophobicContact CB-CG2 4.46Å; I558-W571 HydrophobicContact CD1-CD2 4.32Å; I558-W571 HydrophobicContact CD1-CE3 3.87Å; I558-W571 HydrophobicContact CD1-CZ3 4.24Å; I558-W571 HydrophobicContact CG2-CD2 3.9Å; I558-W571 HydrophobicContact CG2-CE3 4.49Å; I558-W571 HydrophobicContact CG2-CG 3.95Å; I558-F622 WeakPolarHBondContact CA-O 3.32Å; I558-F622 HydrophobicContact CB-CB 4.3Å; I558-F622 HydrophobicContact CD1-CD1 3.84Å; I558-F622 HydrophobicContact CG1-CB 4.23Å; I558-F622 HydrophobicContact CG1-CD1 4.06Å
559	A	89.3	Confident	87.2	Confident	7 Å²	7	67.9 Å²	67.9	6%	0.058	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	130	173.8	0	0	0	0	0	110.7	T435 K563 R621 F622 L623	T435-A559 HydrophobicContact CG2-CB 4.05Å; A559-K563 WeakPolarHBondContact CA-O 3.46Å; A559-R621 HydrophobicContact CB-CG 4.43Å; A559-F622 PolarHBondContact N-O 2.7Å; A559-L623 HydrophobicContact CB-CD2 3.87Å
560	C	86.8	Confident	87.4	Confident	14 Å²	14	69.6 Å²	69.6	10%	0.095	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	121	172.9	-178	0	0	0	0	109.4	D412 D562 K563 W571	D412-C560 VanDerWaalsContact OD1-CA 3.3Å; D412-C560 WeakPolarHBondContact OD1-CA 3.49Å; C560-D562 PolarHBondContact O-N 2.92Å; C560-K563 PolarHBondContact N-O 3.32Å; C560-K563 WeakPolarHBondContact O-CA 3.37Å; C560-K563 WeakPolarHBondContact O-CB 3.3Å; C560-K563 PolarHBondContact O-N 2.71Å; C560-W571 HydrophobicContact CB-CH2 4.1Å; C560-W571 HydrophobicContact CB-CZ2 4.17Å
561	Q	80.6	Confident	87.6	Confident	131 Å²	131	65.6 Å²	65.6	61%	0.612	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.4	65.3	175	-59.7	-179.4	-0.4	0	0	113.4	D412 K563	D412-Q561 HydrophobicContact CB-CG 4.25Å; D412-Q561 PolarHBondContact OD1-N 2.93Å; Q561-K563 PolarHBondContact O-N 2.96Å
562	D	73.4	Confident	87.8	Confident	137 Å²	137	67.8 Å²	67.8	73%	0.733	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	-2.6	-175.2	-65.6	-62	0	0	0	116.5	S434 C560	S434-D562 WeakPolarHBondContact CB-OD1 3.41Å; S434-D562 PolarHBondContact OG-OD1 3.47Å; C560-D562 PolarHBondContact O-N 2.92Å
563	K	83.6	Confident	87.9	Confident	139 Å²	139	70.3 Å²	70.3	60%	0.604	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.6	149.7	-176.5	-66.7	170.4	-172.7	161.4	0	112	A559 C560 Q561	A559-K563 WeakPolarHBondContact CA-O 3.46Å; C560-K563 PolarHBondContact N-O 3.32Å; C560-K563 WeakPolarHBondContact O-CA 3.37Å; C560-K563 WeakPolarHBondContact O-CB 3.3Å; C560-K563 PolarHBondContact O-N 2.71Å; Q561-K563 PolarHBondContact O-N 2.96Å
564	Q	84.8	Confident	88	Confident	123 Å²	123	66.7 Å²	66.7	58%	0.575	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	117.1	169.1	-60.8	-176	13.3	0	0	108.6	I558	I558-Q564 WeakPolarHBondContact O-CA 3.11Å
565	H	88.4	Confident	88.3	Confident	76 Å²	76	64.4 Å²	64.4	35%	0.352	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	148.6	172.1	-69.1	-96.5	0	0	0	109.4	T557 I558	T557-H565 CarbonylContact C-O 3.58Å; T557-H565 WeakPolarHBondContact CA-O 3.47Å; T557-H565 WeakPolarHBondContact CB-O 3.22Å; I558-H565 HydrophobicContact CG2-CB 3.91Å; I558-H565 PolarHBondContact N-O 2.89Å; I558-H565 PolarHBondContact O-N 3.17Å
566	A	89.1	Confident	88.3	Confident	71 Å²	71	68.8 Å²	68.8	59%	0.587	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.4	143.8	168.1	0	0	0	0	0	109.6	D568	A566-D568 PolarHBondContact O-N 2.94Å; A566-D568 VanDerWaalsContact O-N 3.12Å
567	V	87.4	Confident	88.3	Confident	40 Å²	40	72.6 Å²	72.6	24%	0.242	37%	0.374	C	S	.	.			trans	-70	107.8	174.3	175.3	0	0	0	0	108.8	F552 S556 I558	F552-V567 HydrophobicContact CE1-CG1 3.72Å; F552-V567 HydrophobicContact CE2-CG1 4.45Å; F552-V567 HydrophobicContact CZ-CG1 3.59Å; S556-V567 PolarHBondContact O-N 3.45Å; I558-V567 HydrophobicContact CB-CG2 4.46Å
568	D	88.3	Confident	88.2	Confident	82 Å²	82	71.3 Å²	71.3	44%	0.439	37%	0.366	S	S	.	.			trans	-111.8	-177.2	177.1	70.3	9.8	0	0	0	111.7	A566 D570 W571 T572	A566-D568 PolarHBondContact O-N 2.94Å; A566-D568 VanDerWaalsContact O-N 3.12Å; D568-D570 VanDerWaalsContact C-N 3.27Å; D568-D570 PolarHBondContact O-N 3.49Å; D568-D570 PolarHBondContact OD1-N 3.02Å; D568-W571 PolarHBondContact OD1-N 3.13Å; D568-T572 WeakPolarHBondContact O-CB 3.36Å; D568-T572 PolarHBondContact O-N 3.35Å; D568-T572 PolarHBondContact O-OG1 3.37Å
569	L	89.2	Confident	88.1	Confident	131 Å²	131	74 Å²	74	69%	0.686	38%	0.377	S	S	*	.	H	α-helix	trans	-66.6	-28	-179.1	-171.5	64.5	0	0	0	112.5	N573	L569-N573 VanDerWaalsContact O-CG 3.22Å; L569-N573 PolarHBondContact O-N 3.29Å; L569-N573 VanDerWaalsContact O-N 3.07Å; L569-N573 PolarHBondContact O-ND2 3.26Å
570	D	91.1	Very high	88	Confident	86 Å²	86	79.1 Å²	79.1	46%	0.46	40%	0.402	S	S	.	.	H	α-helix	trans	-71.8	-50.1	177.7	-170.6	54.8	0	0	0	110.4	D568 T572 N573 K574	D568-D570 VanDerWaalsContact C-N 3.27Å; D568-D570 PolarHBondContact O-N 3.49Å; D568-D570 PolarHBondContact OD1-N 3.02Å; D570-T572 VanDerWaalsContact C-N 3.27Å; D570-T572 PolarHBondContact O-N 2.65Å; D570-N573 PolarHBondContact O-N 3.34Å; D570-N573 VanDerWaalsContact O-N 3.12Å; D570-K574 WeakPolarHBondContact O-CG 3.29Å; D570-K574 PolarHBondContact O-N 3.45Å; D570-K574 WeakPolarHBondContact OD2-CE 3.44Å; D570-K574 IonicContact OD2-NZ 3.23Å; D570-K574 PolarHBondContact OD2-NZ 3.4Å
571	W	89.5	Confident	88.1	Confident	21 Å²	21	84.3 Å²	84.3	8%	0.08	42%	0.423	C	S	.	.	H	α-helix	trans	-59.3	-37	173.3	-78.8	115.2	0	0	0	112.8	W410 D413 I558 C560 D568 K574 F575	W410-W571 HydrophobicContact CH2-CE3 4.39Å; W410-W571 HydrophobicContact CH2-CZ3 4.42Å; W410-W571 HydrophobicContact CZ2-CZ3 4.34Å; D413-W571 HydrophobicContact CB-CH2 4.01Å; D413-W571 HydrophobicContact CB-CZ3 3.96Å; I558-W571 HydrophobicContact CD1-CD2 4.32Å; I558-W571 HydrophobicContact CD1-CE3 3.87Å; I558-W571 HydrophobicContact CD1-CZ3 4.24Å; I558-W571 HydrophobicContact CG2-CD2 3.9Å; I558-W571 HydrophobicContact CG2-CE3 4.49Å; I558-W571 HydrophobicContact CG2-CG 3.95Å; C560-W571 HydrophobicContact CB-CH2 4.1Å; C560-W571 HydrophobicContact CB-CZ2 4.17Å; D568-W571 PolarHBondContact OD1-N 3.13Å; W571-K574 HydrophobicContact CE3-CD 4.01Å; W571-K574 HydrophobicContact CZ3-CD 4.22Å; W571-K574 PolarHBondContact O-N 2.88Å; W571-F575 VanDerWaalsContact O-CB 3.23Å; W571-F575 WeakPolarHBondContact O-CB 3.37Å; W571-F575 PolarHBondContact O-N 3.32Å
572	T	89.8	Confident	88.5	Confident	47 Å²	47	78.1 Å²	78.1	29%	0.288	39%	0.394	S	S	.	.	H	α-helix	trans	-62.3	-44.5	174.4	-56.4	0	0	0	0	111.7	F552 D568 D570 Q576	F552-T572 HydrophobicContact CE1-CG2 4.09Å; D568-T572 WeakPolarHBondContact O-CB 3.36Å; D568-T572 PolarHBondContact O-N 3.35Å; D568-T572 PolarHBondContact O-OG1 3.37Å; D570-T572 VanDerWaalsContact C-N 3.27Å; D570-T572 PolarHBondContact O-N 2.65Å; T572-Q576 WeakPolarHBondContact O-CB 3.35Å; T572-Q576 PolarHBondContact O-N 3.41Å
573	N	91.6	Very high	89	Confident	71 Å²	71	73 Å²	73	38%	0.38	37%	0.374	S	S	.	.	H	α-helix	trans	-65.9	-43	177.2	-72.6	-36.5	0	0	0	112	L569 D570 Q576 Q577	L569-N573 VanDerWaalsContact O-CG 3.22Å; L569-N573 PolarHBondContact O-N 3.29Å; L569-N573 VanDerWaalsContact O-N 3.07Å; L569-N573 PolarHBondContact O-ND2 3.26Å; D570-N573 PolarHBondContact O-N 3.34Å; D570-N573 VanDerWaalsContact O-N 3.12Å; N573-Q576 PolarHBondContact O-N 2.9Å; N573-Q577 WeakPolarHBondContact O-CG 3.49Å; N573-Q577 PolarHBondContact O-N 3.45Å
574	K	91.7	Very high	88.9	Confident	56 Å²	56	68.8 Å²	68.8	24%	0.243	37%	0.37	C	S	.	.	H	α-helix	trans	-62	-48.4	177.3	-71.8	171	168.3	-162	0	112	W410 D413 D570 W571 Q576 Q577 A578	W410-K574 HydrophobicContact CZ2-CB 4.44Å; D413-K574 WeakPolarHBondContact OD2-CD 3.19Å; D413-K574 VanDerWaalsContact OD2-CE 3.28Å; D413-K574 WeakPolarHBondContact OD2-CE 3.45Å; D413-K574 IonicContact OD2-NZ 2.72Å; D413-K574 PolarHBondContact OD2-NZ 3.49Å; D570-K574 WeakPolarHBondContact O-CG 3.29Å; D570-K574 PolarHBondContact O-N 3.45Å; D570-K574 WeakPolarHBondContact OD2-CE 3.44Å; D570-K574 IonicContact OD2-NZ 3.23Å; D570-K574 PolarHBondContact OD2-NZ 3.4Å; W571-K574 HydrophobicContact CE3-CD 4.01Å; W571-K574 HydrophobicContact CZ3-CD 4.22Å; W571-K574 PolarHBondContact O-N 2.88Å; K574-Q576 VanDerWaalsContact C-N 3.32Å; K574-Q576 PolarHBondContact O-N 3.01Å; K574-Q577 PolarHBondContact O-N 2.98Å; K574-A578 WeakPolarHBondContact O-CB 3.39Å; K574-A578 PolarHBondContact O-N 2.97Å
575	F	92.1	Very high	89	Confident	12 Å²	12	66.3 Å²	66.3	5%	0.053	36%	0.36	C	S	.	.	H	α-helix	trans	-54.4	-47.6	172.6	166.7	-91.6	0	0	0	111.5	W410 P548 F552 W571 Q577 A578 Y579 F622 L625	W410-F575 HydrophobicContact CH2-CB 4.17Å; W410-F575 HydrophobicContact CZ3-CB 4.38Å; W410-F575 HydrophobicContact CZ3-CD2 4.14Å; P548-F575 HydrophobicContact CB-CE2 4.34Å; P548-F575 HydrophobicContact CB-CZ 3.86Å; P548-F575 WeakPolarHBondContact O-CZ 3.33Å; F552-F575 HydrophobicContact CB-CD1 4.37Å; F552-F575 HydrophobicContact CB-CD2 4.38Å; F552-F575 HydrophobicContact CB-CE1 3.86Å; F552-F575 HydrophobicContact CB-CE2 3.83Å; F552-F575 HydrophobicContact CB-CZ 3.57Å; F552-F575 HydrophobicContact CD1-CD1 4.01Å; F552-F575 HydrophobicContact CD1-CE1 4.21Å; F552-F575 HydrophobicContact CD1-CG 4.34Å; F552-F575 HydrophobicContact CD2-CB 4.11Å; F552-F575 AromaticContact CD2-CD1 3.94Å; F552-F575 HydrophobicContact CD2-CD1 3.94Å; F552-F575 AromaticContact CD2-CD2 3.32Å; F552-F575 HydrophobicContact CD2-CD2 3.32Å; F552-F575 HydrophobicContact CD2-CE1 4.23Å; F552-F575 AromaticContact CD2-CE2 3.61Å; F552-F575 HydrophobicContact CD2-CE2 3.61Å; F552-F575 AromaticContact CD2-CG 3.5Å; F552-F575 HydrophobicContact CD2-CG 3.5Å; F552-F575 HydrophobicContact CD2-CZ 4.08Å; F552-F575 HydrophobicContact CE1-CD1 4.26Å; F552-F575 HydrophobicContact CE1-CG 4.39Å; F552-F575 HydrophobicContact CE2-CB 3.62Å; F552-F575 HydrophobicContact CE2-CD1 4.19Å; F552-F575 AromaticContact CE2-CD2 3.7Å; F552-F575 HydrophobicContact CE2-CD2 3.7Å; F552-F575 HydrophobicContact CE2-CE2 4.43Å; F552-F575 AromaticContact CE2-CG 3.56Å; F552-F575 HydrophobicContact CE2-CG 3.56Å; F552-F575 AromaticContact CG-CD1 3.84Å; F552-F575 HydrophobicContact CG-CD1 3.84Å; F552-F575 AromaticContact CG-CD2 3.95Å; F552-F575 HydrophobicContact CG-CD2 3.95Å; F552-F575 AromaticContact CG-CE1 3.84Å; F552-F575 HydrophobicContact CG-CE1 3.84Å; F552-F575 AromaticContact CG-CE2 3.9Å; F552-F575 HydrophobicContact CG-CE2 3.9Å; F552-F575 AromaticContact CG-CG 3.91Å; F552-F575 HydrophobicContact CG-CG 3.91Å; F552-F575 AromaticContact CG-CZ 3.88Å; F552-F575 HydrophobicContact CG-CZ 3.88Å; F552-F575 HydrophobicContact CZ-CB 3.86Å; F552-F575 HydrophobicContact CZ-CD1 4.34Å; F552-F575 HydrophobicContact CZ-CG 4.02Å; W571-F575 VanDerWaalsContact O-CB 3.23Å; W571-F575 WeakPolarHBondContact O-CB 3.37Å; W571-F575 PolarHBondContact O-N 3.32Å; F575-Q577 PolarHBondContact O-N 2.93Å; F575-A578 PolarHBondContact O-N 2.92Å; F575-Y579 WeakPolarHBondContact O-CB 3.37Å; F575-Y579 PolarHBondContact O-N 3.09Å; F575-F622 HydrophobicContact CD2-CE1 4.4Å; F575-F622 HydrophobicContact CD2-CE2 4.35Å; F575-F622 AromaticContact CD2-CZ 3.9Å; F575-F622 HydrophobicContact CD2-CZ 3.9Å; F575-F622 AromaticContact CE2-CE2 3.93Å; F575-F622 HydrophobicContact CE2-CE2 3.93Å; F575-F622 AromaticContact CE2-CZ 3.71Å; F575-F622 HydrophobicContact CE2-CZ 3.71Å; F575-L625 HydrophobicContact CD2-CD1 4.47Å; F575-L625 HydrophobicContact CE2-CD1 4.35Å; F575-L625 HydrophobicContact CE2-CD2 3.85Å; F575-L625 HydrophobicContact CE2-CG 4.4Å
576	Q	90.8	Very high	88.7	Confident	103 Å²	103	63.2 Å²	63.2	48%	0.481	35%	0.349	S	S	.	.	H	α-helix	trans	-65.7	-38	-179.7	-172	175.2	-0.3	0	0	112.2	T572 N573 K574 L580	T572-Q576 WeakPolarHBondContact O-CB 3.35Å; T572-Q576 PolarHBondContact O-N 3.41Å; N573-Q576 PolarHBondContact O-N 2.9Å; K574-Q576 VanDerWaalsContact C-N 3.32Å; K574-Q576 PolarHBondContact O-N 3.01Å; Q576-L580 HydrophobicContact CG-CD1 4.1Å; Q576-L580 HydrophobicContact CG-CG 4.49Å; Q576-L580 WeakPolarHBondContact O-CB 3.2Å; Q576-L580 VanDerWaalsContact O-CG 3.26Å; Q576-L580 WeakPolarHBondContact O-CG 3.4Å; Q576-L580 PolarHBondContact O-N 3.28Å
577	Q	91.4	Very high	88.7	Confident	140 Å²	140	60.7 Å²	60.7	65%	0.654	33%	0.325	S	S	*	.	H	α-helix	trans	-65.3	-45.3	174.1	-72.9	176.1	20.8	0	0	112	N573 K574 F575 L580 K581	N573-Q577 WeakPolarHBondContact O-CG 3.49Å; N573-Q577 PolarHBondContact O-N 3.45Å; K574-Q577 PolarHBondContact O-N 2.98Å; F575-Q577 PolarHBondContact O-N 2.93Å; Q577-L580 PolarHBondContact O-N 3.2Å; Q577-K581 VanDerWaalsContact O-CB 3.28Å; Q577-K581 WeakPolarHBondContact O-CB 3.46Å; Q577-K581 PolarHBondContact O-N 3.06Å
578	A	90.9	Very high	88.7	Confident	6 Å²	6	62.6 Å²	62.6	5%	0.05	33%	0.328	C	S	.	.	H	α-helix	trans	-61.5	-46.5	176	0	0	0	0	0	111.4	W410 K574 F575 K581 L582 L625	W410-A578 HydrophobicContact CD2-CB 3.93Å; W410-A578 HydrophobicContact CG-CB 3.89Å; K574-A578 WeakPolarHBondContact O-CB 3.39Å; K574-A578 PolarHBondContact O-N 2.97Å; F575-A578 PolarHBondContact O-N 2.92Å; A578-K581 PolarHBondContact O-N 2.92Å; A578-L582 WeakPolarHBondContact O-CG 3.32Å; A578-L582 PolarHBondContact O-N 3.2Å; A578-L625 HydrophobicContact CB-CD1 4.45Å
579	Y	90.4	Very high	88.9	Confident	62 Å²	62	59.1 Å²	59.1	24%	0.243	31%	0.31	C	S	.	.	H	α-helix	trans	-60.2	-47.6	177.3	175.7	-141.2	0	0	0	112.5	P548 E549 F575 K581 L582 G583 V589	P548-Y579 HydrophobicContact CB-CD2 4.03Å; P548-Y579 HydrophobicContact CB-CE2 4.05Å; P548-Y579 HydrophobicContact CB-CG 4.34Å; P548-Y579 HydrophobicContact CG-CD2 4.02Å; P548-Y579 HydrophobicContact CG-CE2 3.79Å; E549-Y579 PolarHBondContact OE2-OH 3.46Å; F575-Y579 WeakPolarHBondContact O-CB 3.37Å; F575-Y579 PolarHBondContact O-N 3.09Å; Y579-K581 VanDerWaalsContact C-N 3.34Å; Y579-K581 PolarHBondContact O-N 3.22Å; Y579-L582 PolarHBondContact O-N 2.99Å; Y579-G583 PolarHBondContact O-N 2.85Å; Y579-V589 HydrophobicContact CD2-CB 4.17Å; Y579-V589 HydrophobicContact CD2-CG1 4.3Å; Y579-V589 HydrophobicContact CD2-CG2 4.24Å; Y579-V589 HydrophobicContact CE2-CB 4.24Å; Y579-V589 HydrophobicContact CE2-CG2 4.45Å
580	L	87.5	Confident	89	Confident	113 Å²	113	53.9 Å²	53.9	59%	0.592	28%	0.282	S	S	*	.	H	α-helix	trans	-65.4	-35.4	177.1	-72.2	173	0	0	0	112.5	Q576 Q577 G584	Q576-L580 HydrophobicContact CG-CD1 4.1Å; Q576-L580 HydrophobicContact CG-CG 4.49Å; Q576-L580 WeakPolarHBondContact O-CB 3.2Å; Q576-L580 VanDerWaalsContact O-CG 3.26Å; Q576-L580 WeakPolarHBondContact O-CG 3.4Å; Q576-L580 PolarHBondContact O-N 3.28Å; Q577-L580 PolarHBondContact O-N 3.2Å; L580-G584 PolarHBondContact O-N 3.09Å
581	K	88.1	Confident	89	Confident	124 Å²	124	49.8 Å²	49.8	54%	0.539	26%	0.26	S	S	.	.	H	α-helix	trans	-64.4	-50.3	175.6	-175.4	-174.2	176.7	-168	0	111.2	Q577 A578 Y579 G584 L585	Q577-K581 VanDerWaalsContact O-CB 3.28Å; Q577-K581 WeakPolarHBondContact O-CB 3.46Å; Q577-K581 PolarHBondContact O-N 3.06Å; A578-K581 PolarHBondContact O-N 2.92Å; Y579-K581 VanDerWaalsContact C-N 3.34Å; Y579-K581 PolarHBondContact O-N 3.22Å; K581-G584 PolarHBondContact O-N 2.86Å; K581-L585 PolarHBondContact O-N 3.03Å
582	L	90.1	Very high	89.1	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66.1	-42.4	179.6	-65.1	175.2	0	0	0	111.9	H408 V415 A578 Y579 G584 L585 E587 V589 L625	H408-L582 HydrophobicContact CB-CD2 3.63Å; V415-L582 HydrophobicContact CG1-CD2 4.02Å; A578-L582 WeakPolarHBondContact O-CG 3.32Å; A578-L582 PolarHBondContact O-N 3.2Å; Y579-L582 PolarHBondContact O-N 2.99Å; L582-G584 VanDerWaalsContact C-N 3.29Å; L582-G584 PolarHBondContact O-N 3.41Å; L582-L585 WeakPolarHBondContact O-CB 3.4Å; L582-L585 PolarHBondContact O-N 2.73Å; L582-L585 VanDerWaalsContact O-N 3.14Å; L582-E587 PolarHBondContact O-N 3.47Å; L582-V589 HydrophobicContact CB-CG2 3.6Å; L582-V589 HydrophobicContact CD1-CG1 4.23Å; L582-L625 HydrophobicContact CD1-CB 4.4Å; L582-L625 HydrophobicContact CD1-CD1 4.26Å
583	G	83.6	Confident	89.3	Confident	29 Å²	29	46.5 Å²	46.5	30%	0.299	24%	0.243	S	C	.	.	H	α-helix	trans	-63.9	-33	172.8	0	0	0	0	0	113.3	Y579 L585 G586	Y579-G583 PolarHBondContact O-N 2.85Å; G583-L585 VanDerWaalsContact C-N 3.25Å; G583-L585 PolarHBondContact O-N 3.01Å; G583-G586 PolarHBondContact O-N 3.47Å
584	G	81.9	Confident	89.2	Confident	52 Å²	52	43.2 Å²	43.2	54%	0.536	23%	0.225	S	C	.	.	H	α-helix	trans	-68.7	-19.4	173.9	0	0	0	0	0	114.5	L580 K581 L582	L580-G584 PolarHBondContact O-N 3.09Å; K581-G584 PolarHBondContact O-N 2.86Å; L582-G584 VanDerWaalsContact C-N 3.29Å; L582-G584 PolarHBondContact O-N 3.41Å
585	L	86.1	Confident	89.1	Confident	70 Å²	70	42.6 Å²	42.6	37%	0.366	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	6.5	169.2	-64.7	172.8	0	0	0	112.6	K581 L582 G583 E587 A663	K581-L585 PolarHBondContact O-N 3.03Å; L582-L585 WeakPolarHBondContact O-CB 3.4Å; L582-L585 PolarHBondContact O-N 2.73Å; L582-L585 VanDerWaalsContact O-N 3.14Å; G583-L585 VanDerWaalsContact C-N 3.25Å; G583-L585 PolarHBondContact O-N 3.01Å; L585-E587 HydrophobicContact CB-CG 3.79Å; L585-E587 PolarHBondContact O-N 3.24Å; L585-A663 VanDerWaalsContact C-CB 3.5Å; L585-A663 WeakPolarHBondContact O-CB 3.33Å
586	G	82.3	Confident	88.8	Confident	11 Å²	11	44.1 Å²	44.1	11%	0.113	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	16.1	-178.8	0	0	0	0	0	113.9	G583	G583-G586 PolarHBondContact O-N 3.47Å
587	E	89.9	Confident	88.6	Confident	18 Å²	18	39.2 Å²	39.2	8%	0.084	21%	0.21	C	C	.	.			trans	-91.1	143.2	-175.9	-50.2	-176.5	150	0	0	111.4	A407 H408 L582 L585 V589 S627 I629	A407-E587 WeakPolarHBondContact CB-OE1 3.37Å; H408-E587 IonicContact CE1-OE1 3.34Å; H408-E587 PolarHBondContact CE1-OE1 3.24Å; H408-E587 IonicContact CG-OE2 2.67Å; H408-E587 VanDerWaalsContact ND1-CD 3.31Å; H408-E587 IonicContact ND1-OE1 3.17Å; H408-E587 PolarHBondContact ND1-OE1 2.85Å; H408-E587 IonicContact ND1-OE2 2.75Å; H408-E587 PolarHBondContact ND1-OE2 2.92Å; L582-E587 PolarHBondContact O-N 3.47Å; L585-E587 HydrophobicContact CB-CG 3.79Å; L585-E587 PolarHBondContact O-N 3.24Å; E587-V589 PolarHBondContact O-N 3.03Å; E587-S627 WeakPolarHBondContact OE2-CB 3.43Å; E587-S627 PolarHBondContact OE2-OG 2.75Å; E587-I629 HydrophobicContact CG-CB 4.21Å; E587-I629 HydrophobicContact CG-CD1 4.11Å
588	R	87.1	Confident	88.2	Confident	80 Å²	80	34.8 Å²	34.8	30%	0.302	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	113.7	171.6	-177	179.4	-173.4	149.8	-1.8	109	E240 S627 M628	E240-R588 IonicContact OE1-CZ 2.77Å; E240-R588 IonicContact OE1-NH1 2.66Å; E240-R588 PolarHBondContact OE1-NH1 2.95Å; E240-R588 IonicContact OE1-NH2 3.31Å; E240-R588 IonicContact OE2-NH1 2.71Å; R588-S627 CarbonylContact O-C 3.54Å; R588-S627 WeakPolarHBondContact O-CA 3.4Å; R588-M628 HydrophobicContact CB-CG 4.02Å; R588-M628 PolarHBondContact N-O 2.73Å; R588-M628 WeakPolarHBondContact O-CG 3.25Å; R588-M628 PolarHBondContact O-N 3.45Å
589	V	91	Very high	87.7	Confident	10 Å²	10	37.8 Å²	37.8	6%	0.061	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	136.4	-176.6	-166.3	0	0	0	0	110.7	P548 Y579 L582 E587 L625	P548-V589 WeakPolarHBondContact CD-O 3.37Å; P548-V589 HydrophobicContact CG-CB 3.89Å; P548-V589 HydrophobicContact CG-CG1 3.79Å; P548-V589 WeakPolarHBondContact CG-O 3.5Å; Y579-V589 HydrophobicContact CD2-CB 4.17Å; Y579-V589 HydrophobicContact CD2-CG1 4.3Å; Y579-V589 HydrophobicContact CD2-CG2 4.24Å; Y579-V589 HydrophobicContact CE2-CB 4.24Å; Y579-V589 HydrophobicContact CE2-CG2 4.45Å; L582-V589 HydrophobicContact CB-CG2 3.6Å; L582-V589 HydrophobicContact CD1-CG1 4.23Å; E587-V589 PolarHBondContact O-N 3.03Å; V589-L625 HydrophobicContact CG1-CB 3.93Å; V589-L625 HydrophobicContact CG1-CD1 4.07Å; V589-L625 HydrophobicContact CG1-CD2 3.97Å; V589-L625 HydrophobicContact CG1-CG 4.21Å
590	L	91.5	Very high	87.4	Confident	20 Å²	20	39.2 Å²	39.2	11%	0.105	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	140.5	171	-64.6	177.6	0	0	0	110.2	L474 G546 F592 L625 I626 M628	L474-L590 HydrophobicContact CD1-CD1 4.19Å; G546-L590 CarbonylContact O-C 3.55Å; G546-L590 WeakPolarHBondContact O-CA 3.19Å; L590-F592 HydrophobicContact CB-CE2 3.6Å; L590-F592 HydrophobicContact CB-CZ 3.96Å; L590-F592 HydrophobicContact CD1-CZ 4.38Å; L590-F592 WeakPolarHBondContact O-CD2 3.33Å; L590-F592 WeakPolarHBondContact O-CE2 3.32Å; L590-L625 CarbonylContact O-C 3.5Å; L590-L625 VanDerWaalsContact O-CA 3.3Å; L590-L625 WeakPolarHBondContact O-CA 3.37Å; L590-I626 PolarHBondContact N-O 2.77Å; L590-I626 PolarHBondContact O-N 3.09Å; L590-M628 HydrophobicContact CD1-CE 3.7Å; L590-M628 HydrophobicContact CG-CE 4.37Å
591	G	91.7	Very high	87.2	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	148.2	171	0	0	0	0	0	112.4	K545 G546	K545-G591 CarbonylContact C-O 3.56Å; K545-G591 WeakPolarHBondContact CA-O 3.47Å; G546-G591 PolarHBondContact N-O 3.49Å; G546-G591 PolarHBondContact O-N 3.2Å
592	F	92.4	Very high	87	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	132.7	-175.9	-64.6	-99.2	0	0	0	110.5	L439 V442 A443 L474 K545 L590 L623 G624 I626	L439-F592 HydrophobicContact CD1-CB 3.52Å; L439-F592 HydrophobicContact CD1-CD2 4.08Å; L439-F592 HydrophobicContact CD1-CG 3.8Å; V442-F592 HydrophobicContact CB-CD1 4.45Å; V442-F592 HydrophobicContact CG1-CB 4.12Å; V442-F592 HydrophobicContact CG1-CD1 3.78Å; V442-F592 HydrophobicContact CG1-CG 4.46Å; A443-F592 HydrophobicContact CB-CE1 4.09Å; L474-F592 HydrophobicContact CD1-CE1 4.23Å; L474-F592 HydrophobicContact CD1-CZ 3.93Å; L474-F592 HydrophobicContact CD2-CZ 3.9Å; K545-F592 HydrophobicContact CB-CD1 3.67Å; K545-F592 HydrophobicContact CB-CE1 3.69Å; K545-F592 HydrophobicContact CB-CG 4.34Å; K545-F592 HydrophobicContact CB-CZ 4.36Å; K545-F592 HydrophobicContact CD-CE1 3.93Å; K545-F592 HydrophobicContact CD-CZ 4.49Å; K545-F592 HydrophobicContact CG-CE1 4.44Å; L590-F592 HydrophobicContact CB-CE2 3.6Å; L590-F592 HydrophobicContact CB-CZ 3.96Å; L590-F592 HydrophobicContact CD1-CZ 4.38Å; L590-F592 WeakPolarHBondContact O-CD2 3.33Å; L590-F592 WeakPolarHBondContact O-CE2 3.32Å; F592-L623 PolarHBondContact O-N 3.46Å; F592-G624 PolarHBondContact N-O 3.43Å; F592-G624 PolarHBondContact O-N 3.02Å; F592-I626 HydrophobicContact CD2-CB 4.29Å; F592-I626 HydrophobicContact CD2-CD1 4.18Å; F592-I626 HydrophobicContact CD2-CG1 3.91Å; F592-I626 HydrophobicContact CE1-CD1 4.33Å; F592-I626 HydrophobicContact CE2-CB 3.56Å; F592-I626 HydrophobicContact CE2-CD1 3.79Å; F592-I626 HydrophobicContact CE2-CG1 3.59Å; F592-I626 HydrophobicContact CZ-CB 4.15Å; F592-I626 HydrophobicContact CZ-CD1 3.87Å; F592-I626 HydrophobicContact CZ-CG1 4.17Å
593	C	92.2	Very high	86.6	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	160.7	176.8	62.6	0	0	0	0	111.8	M544 I551 C555 L620 R621	M544-C593 PolarHBondContact N-O 2.68Å; M544-C593 PolarHBondContact O-N 3.24Å; I551-C593 HydrophobicContact CG2-CB 4Å; C555-C593 VanDerWaalsContact SG-CB 3.52Å; C593-L620 HydrophobicContact CB-CB 4.31Å; C593-L620 VanDerWaalsContact SG-CD1 3.58Å; C593-R621 CarbonylContact C-O 3.59Å; C593-R621 WeakPolarHBondContact CA-O 3.45Å; C593-R621 WeakPolarHBondContact CB-O 3.46Å
594	D	90.5	Very high	86.2	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.011	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	169.9	174.4	71.8	-5.2	0	0	0	112.7	V442 L541 L542 R621 L623	V442-D594 HydrophobicContact CG2-CB 3.93Å; L541-D594 HydrophobicContact CD1-CB 4.12Å; L542-D594 CarbonylContact O-C 3.57Å; L542-D594 VanDerWaalsContact O-CA 3.25Å; L542-D594 WeakPolarHBondContact O-CA 3.5Å; L542-D594 WeakPolarHBondContact O-CB 3.22Å; D594-R621 VanDerWaalsContact CG-NH2 3.25Å; D594-R621 PolarHBondContact N-O 2.81Å; D594-R621 WeakPolarHBondContact O-CB 3.26Å; D594-R621 PolarHBondContact O-N 2.95Å; D594-R621 IonicContact OD1-CZ 2.67Å; D594-R621 VanDerWaalsContact OD1-CZ 3.27Å; D594-R621 IonicContact OD1-NE 3.73Å; D594-R621 PolarHBondContact OD1-NE 2.85Å; D594-R621 IonicContact OD1-NH2 3.64Å; D594-R621 PolarHBondContact OD1-NH2 3.35Å; D594-R621 IonicContact OD2-CZ 3.59Å; D594-R621 IonicContact OD2-NH2 2.68Å; D594-R621 PolarHBondContact OD2-NH2 2.83Å; D594-L623 HydrophobicContact CB-CD1 4.25Å
595	L	89.5	Confident	85.9	Confident	42 Å²	42	43.4 Å²	43.4	22%	0.22	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	129.9	167.6	-178.2	68.9	0	0	0	109.4	L542 L597 P616 L620	L542-L595 HydrophobicContact CB-CB 4.4Å; L542-L595 PolarHBondContact N-O 3Å; L542-L595 PolarHBondContact O-N 3.2Å; L595-L597 HydrophobicContact CD2-CD2 3.9Å; L595-L597 HydrophobicContact CG-CD2 4.3Å; L595-P616 HydrophobicContact CD2-CB 4.24Å; L595-P616 HydrophobicContact CD2-CG 3.58Å; L595-L620 HydrophobicContact CB-CD2 3.68Å; L595-L620 HydrophobicContact CD2-CD2 3.93Å; L595-L620 HydrophobicContact CG-CD2 4.37Å
596	L	85.8	Confident	85.7	Confident	44 Å²	44	43.5 Å²	43.5	23%	0.23	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	118.1	171.2	-70	167	0	0	0	109	F532 Y538 L541	F532-L596 HydrophobicContact CD1-CD2 3.86Å; F532-L596 HydrophobicContact CE1-CD2 3.71Å; F532-L596 HydrophobicContact CG-CD2 4.38Å; F532-L596 HydrophobicContact CZ-CD2 4.14Å; Y538-L596 HydrophobicContact CD1-CB 3.54Å; Y538-L596 HydrophobicContact CD2-CB 4.32Å; Y538-L596 HydrophobicContact CD2-CD1 4.27Å; Y538-L596 HydrophobicContact CE1-CB 3.74Å; Y538-L596 HydrophobicContact CE2-CD1 4.22Å; Y538-L596 HydrophobicContact CG-CB 3.85Å; Y538-L596 HydrophobicContact CG-CD2 4.45Å; L541-L596 HydrophobicContact CD1-CD2 3.68Å; L541-L596 HydrophobicContact CD1-CG 4.24Å
597	L	85.9	Confident	85.6	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	119.3	-177.5	-63.9	-179.2	0	0	0	110.3	I529 Y540 L542 L595 F602 F608 P616	I529-L597 HydrophobicContact CD1-CD1 4.46Å; I529-L597 HydrophobicContact CG2-CD1 4.32Å; Y540-L597 PolarHBondContact O-N 3.22Å; L542-L597 HydrophobicContact CB-CD1 4.34Å; L542-L597 HydrophobicContact CB-CG 4.35Å; L595-L597 HydrophobicContact CD2-CD2 3.9Å; L595-L597 HydrophobicContact CG-CD2 4.3Å; L597-F602 HydrophobicContact CB-CB 4.32Å; L597-F602 HydrophobicContact CB-CD2 3.75Å; L597-F602 HydrophobicContact CB-CE2 4.41Å; L597-F602 HydrophobicContact CB-CG 4.18Å; L597-F602 HydrophobicContact CD1-CD2 4.4Å; L597-F602 HydrophobicContact CD1-CG 4.38Å; L597-F602 HydrophobicContact CD2-CD2 4.17Å; L597-F602 HydrophobicContact CD2-CE2 3.95Å; L597-F602 HydrophobicContact CG-CD2 4.32Å; L597-F608 HydrophobicContact CD1-CE1 3.86Å; L597-F608 HydrophobicContact CD1-CZ 3.87Å; L597-P616 HydrophobicContact CD2-CG 3.88Å
598	P	83.3	Confident	85.1	Confident	47 Å²	47	51.5 Å²	51.5	31%	0.305	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	140.9	-176.1	-22.3	33.4	0	0	0	112.9	Y538 A600 D601 F602	Y538-P598 HydrophobicContact CE1-CG 4.36Å; P598-A600 PolarHBondContact O-N 2.96Å; P598-A600 VanDerWaalsContact O-N 3.15Å; P598-D601 PolarHBondContact O-N 2.92Å; P598-F602 PolarHBondContact O-N 3.41Å
599	I	81.6	Confident	84.5	Confident	69 Å²	69	50.9 Å²	50.9	35%	0.354	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-26.8	173.7	-94.6	164.5	0	0	0	113.4	P536 N537 A539	P536-I599 WeakPolarHBondContact O-CD1 3.39Å; N537-I599 PolarHBondContact O-N 3.37Å; N537-I599 VanDerWaalsContact O-N 3.1Å; A539-I599 HydrophobicContact CB-CD1 4.16Å; A539-I599 HydrophobicContact CB-CG1 3.56Å
600	A	84	Confident	83.4	Confident	92 Å²	92	51 Å²	51	76%	0.76	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-37.8	179.5	0	0	0	0	0	112.9	P598	P598-A600 PolarHBondContact O-N 2.96Å; P598-A600 VanDerWaalsContact O-N 3.15Å
601	D	83	Confident	82.2	Confident	108 Å²	108	53.5 Å²	53.5	58%	0.578	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-33.1	-178.4	-55.3	-48.3	0	0	0	111.4	P598	P598-D601 PolarHBondContact O-N 2.92Å
602	F	83.9	Confident	81	Confident	21 Å²	21	59.4 Å²	59.4	9%	0.092	34%	0.336	C	S	.	.	S	Bend	trans	-126.5	78.4	-175.7	-56.7	-80.9	0	0	0	110.8	Y540 L597 P598 Y606 F608 F615	Y540-F602 HydrophobicContact CD2-CB 4.11Å; L597-F602 HydrophobicContact CB-CB 4.32Å; L597-F602 HydrophobicContact CB-CD2 3.75Å; L597-F602 HydrophobicContact CB-CE2 4.41Å; L597-F602 HydrophobicContact CB-CG 4.18Å; L597-F602 HydrophobicContact CD1-CD2 4.4Å; L597-F602 HydrophobicContact CD1-CG 4.38Å; L597-F602 HydrophobicContact CD2-CD2 4.17Å; L597-F602 HydrophobicContact CD2-CE2 3.95Å; L597-F602 HydrophobicContact CG-CD2 4.32Å; P598-F602 PolarHBondContact O-N 3.41Å; F602-Y606 AromaticContact CD1-CD1 3.87Å; F602-Y606 HydrophobicContact CD1-CD1 3.87Å; F602-Y606 HydrophobicContact CD1-CD2 4.35Å; F602-Y606 AromaticContact CD1-CE1 3.78Å; F602-Y606 HydrophobicContact CD1-CE1 3.78Å; F602-Y606 HydrophobicContact CD1-CE2 4.26Å; F602-Y606 HydrophobicContact CD1-CG 4.16Å; F602-Y606 AromaticContact CD1-CZ 3.98Å; F602-Y606 HydrophobicContact CE1-CE1 4Å; F602-F608 HydrophobicContact CB-CZ 4.23Å; F602-F608 AromaticContact CD1-CE1 3.54Å; F602-F608 HydrophobicContact CD1-CE1 3.54Å; F602-F608 AromaticContact CD1-CZ 3.87Å; F602-F608 HydrophobicContact CD1-CZ 3.87Å; F602-F608 AromaticContact CE1-CE1 3.94Å; F602-F608 HydrophobicContact CE1-CE1 3.94Å; F602-F608 HydrophobicContact CG-CE1 4.32Å; F602-F608 HydrophobicContact CG-CZ 4.29Å; F602-F615 HydrophobicContact CE1-CB 4.43Å
603	P	81	Confident	80	Confident	68 Å²	68	63 Å²	63	44%	0.442	35%	0.353	S	S	.	.			trans	-65.8	155.6	179.9	27.8	-36.5	0	0	0	112.2	Y540 G605 Y606	Y540-P603 WeakPolarHBondContact CE2-O 3.3Å; P603-G605 PolarHBondContact O-N 3.22Å; P603-G605 VanDerWaalsContact O-N 3.15Å; P603-Y606 VanDerWaalsContact O-CB 3.31Å; P603-Y606 WeakPolarHBondContact O-CB 3.27Å; P603-Y606 PolarHBondContact O-N 3.26Å
604	Q	74.5	Confident	79.4	Confident	145 Å²	145	65.5 Å²	65.5	68%	0.678	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	121.6	174.4	-71.4	-176.3	-7.2	0	0	110.9	A539	A539-Q604 HydrophobicContact CB-CG 3.78Å
605	G	77.4	Confident	79	Confident	64 Å²	64	66 Å²	66	66%	0.66	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.8	4.1	-172.4	0	0	0	0	0	114.8	Y540 P603 E607	Y540-G605 PolarHBondContact OH-N 3.04Å; P603-G605 PolarHBondContact O-N 3.22Å; P603-G605 VanDerWaalsContact O-N 3.15Å; G605-E607 PolarHBondContact O-N 3.2Å
606	Y	81.3	Confident	78.7	Confident	71 Å²	71	66.3 Å²	66.3	28%	0.278	37%	0.373	S	S	.	.			trans	-60.7	125.9	176.3	-170.8	-90	0	0	0	111.9	F602 P603 F608 N614	F602-Y606 AromaticContact CD1-CD1 3.87Å; F602-Y606 HydrophobicContact CD1-CD1 3.87Å; F602-Y606 HydrophobicContact CD1-CD2 4.35Å; F602-Y606 AromaticContact CD1-CE1 3.78Å; F602-Y606 HydrophobicContact CD1-CE1 3.78Å; F602-Y606 HydrophobicContact CD1-CE2 4.26Å; F602-Y606 HydrophobicContact CD1-CG 4.16Å; F602-Y606 AromaticContact CD1-CZ 3.98Å; F602-Y606 HydrophobicContact CE1-CE1 4Å; P603-Y606 VanDerWaalsContact O-CB 3.31Å; P603-Y606 WeakPolarHBondContact O-CB 3.27Å; P603-Y606 PolarHBondContact O-N 3.26Å; Y606-F608 AromaticContact CD1-CD1 3.66Å; Y606-F608 HydrophobicContact CD1-CD1 3.66Å; Y606-F608 HydrophobicContact CD1-CD2 4.07Å; Y606-F608 AromaticContact CD1-CE1 3.57Å; Y606-F608 HydrophobicContact CD1-CE1 3.57Å; Y606-F608 AromaticContact CD1-CE2 3.98Å; Y606-F608 HydrophobicContact CD1-CE2 3.98Å; Y606-F608 AromaticContact CD1-CG 3.93Å; Y606-F608 HydrophobicContact CD1-CG 3.93Å; Y606-F608 AromaticContact CD1-CZ 3.74Å; Y606-F608 HydrophobicContact CD1-CZ 3.74Å; Y606-F608 AromaticContact CE1-CD1 3.79Å; Y606-F608 HydrophobicContact CE1-CD1 3.79Å; Y606-F608 AromaticContact CE1-CE1 3.86Å; Y606-F608 HydrophobicContact CE1-CE1 3.86Å; Y606-F608 HydrophobicContact CE1-CG 4.36Å; Y606-F608 HydrophobicContact CE1-CZ 4.47Å; Y606-F608 HydrophobicContact CG-CZ 4.44Å; Y606-F608 WeakPolarHBondContact O-CD2 3.28Å; Y606-F608 PolarHBondContact O-N 3.4Å; Y606-N614 WeakPolarHBondContact CE1-ND2 3.17Å; Y606-N614 PolarHBondContact OH-ND2 3.43Å; Y606-N614 PolarHBondContact OH-O 3Å
607	E	80.4	Confident	78.5	Confident	175 Å²	175	65 Å²	65	82%	0.818	37%	0.367	S	S	*	.			trans	-80	98.5	177.1	-68.8	-172.2	159.8	0	0	110.4	G605 N614	G605-E607 PolarHBondContact O-N 3.2Å; E607-N614 PolarHBondContact O-ND2 3.43Å
608	F	79.9	Confident	78.5	Confident	23 Å²	23	69.8 Å²	69.8	10%	0.101	39%	0.392	C	S	.	.			trans	-76	130.1	171	-64.2	-78.3	0	0	0	110.6	V495 C496 I529 Y540 L597 F602 Y606 N614 F615	V495-F608 HydrophobicContact CG1-CD2 3.96Å; C496-F608 HydrophobicContact CB-CB 3.61Å; I529-F608 HydrophobicContact CD1-CB 4.26Å; I529-F608 HydrophobicContact CD1-CD1 3.44Å; I529-F608 VanDerWaalsContact CD1-CD1 3.44Å; I529-F608 HydrophobicContact CD1-CD2 4.35Å; I529-F608 HydrophobicContact CD1-CE1 3.76Å; I529-F608 HydrophobicContact CD1-CG 3.76Å; I529-F608 HydrophobicContact CD1-CZ 4.34Å; I529-F608 HydrophobicContact CG2-CD2 4.12Å; I529-F608 HydrophobicContact CG2-CE1 4.46Å; I529-F608 HydrophobicContact CG2-CE2 3.82Å; I529-F608 HydrophobicContact CG2-CZ 4Å; Y540-F608 AromaticContact CD1-CE2 3.99Å; Y540-F608 HydrophobicContact CD1-CE2 3.99Å; Y540-F608 AromaticContact CD2-CE2 3.63Å; Y540-F608 HydrophobicContact CD2-CE2 3.63Å; Y540-F608 AromaticContact CD2-CZ 3.64Å; Y540-F608 HydrophobicContact CD2-CZ 3.64Å; Y540-F608 HydrophobicContact CE1-CE2 4.09Å; Y540-F608 AromaticContact CE2-CE2 3.72Å; Y540-F608 HydrophobicContact CE2-CE2 3.72Å; Y540-F608 HydrophobicContact CE2-CZ 4.07Å; Y540-F608 AromaticContact CG-CE2 3.76Å; Y540-F608 HydrophobicContact CG-CE2 3.76Å; Y540-F608 AromaticContact CG-CZ 3.92Å; Y540-F608 HydrophobicContact CG-CZ 3.92Å; Y540-F608 AromaticContact CZ-CE2 3.93Å; L597-F608 HydrophobicContact CD1-CE1 3.86Å; L597-F608 HydrophobicContact CD1-CZ 3.87Å; F602-F608 HydrophobicContact CB-CZ 4.23Å; F602-F608 AromaticContact CD1-CE1 3.54Å; F602-F608 HydrophobicContact CD1-CE1 3.54Å; F602-F608 AromaticContact CD1-CZ 3.87Å; F602-F608 HydrophobicContact CD1-CZ 3.87Å; F602-F608 AromaticContact CE1-CE1 3.94Å; F602-F608 HydrophobicContact CE1-CE1 3.94Å; F602-F608 HydrophobicContact CG-CE1 4.32Å; F602-F608 HydrophobicContact CG-CZ 4.29Å; Y606-F608 AromaticContact CD1-CD1 3.66Å; Y606-F608 HydrophobicContact CD1-CD1 3.66Å; Y606-F608 HydrophobicContact CD1-CD2 4.07Å; Y606-F608 AromaticContact CD1-CE1 3.57Å; Y606-F608 HydrophobicContact CD1-CE1 3.57Å; Y606-F608 AromaticContact CD1-CE2 3.98Å; Y606-F608 HydrophobicContact CD1-CE2 3.98Å; Y606-F608 AromaticContact CD1-CG 3.93Å; Y606-F608 HydrophobicContact CD1-CG 3.93Å; Y606-F608 AromaticContact CD1-CZ 3.74Å; Y606-F608 HydrophobicContact CD1-CZ 3.74Å; Y606-F608 AromaticContact CE1-CD1 3.79Å; Y606-F608 HydrophobicContact CE1-CD1 3.79Å; Y606-F608 AromaticContact CE1-CE1 3.86Å; Y606-F608 HydrophobicContact CE1-CE1 3.86Å; Y606-F608 HydrophobicContact CE1-CG 4.36Å; Y606-F608 HydrophobicContact CE1-CZ 4.47Å; Y606-F608 HydrophobicContact CG-CZ 4.44Å; Y606-F608 WeakPolarHBondContact O-CD2 3.28Å; Y606-F608 PolarHBondContact O-N 3.4Å; F608-N614 WeakPolarHBondContact CA-OD1 3.38Å; F608-F615 HydrophobicContact CB-CD1 4.49Å; F608-F615 HydrophobicContact CD1-CB 4.19Å; F608-F615 AromaticContact CD1-CD1 3.83Å; F608-F615 HydrophobicContact CD1-CD1 3.83Å; F608-F615 HydrophobicContact CD1-CG 4.34Å; F608-F615 HydrophobicContact CE1-CB 4.24Å
609	N	74.3	Confident	78.6	Confident	66 Å²	66	69.2 Å²	69.2	35%	0.353	40%	0.395	S	S	.	.			trans	-107.7	128.5	175.7	-173.4	-9.8	0	0	0	109.6	D611 D612 N614 F615	N609-D611 PolarHBondContact OD1-N 2.78Å; N609-D612 HydrophobicContact CB-CB 4.49Å; N609-D612 WeakPolarHBondContact CB-O 3.38Å; N609-D612 VanDerWaalsContact O-O 3.05Å; N609-D612 PolarHBondContact OD1-N 3.29Å; N609-N614 PolarHBondContact N-OD1 2.92Å; N609-F615 WeakPolarHBondContact O-CE1 3.49Å
610	G	66.4	Low	79	Confident	13 Å²	13	66 Å²	66	13%	0.134	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-21.2	-179.7	0	0	0	0	0	114
611	D	66.1	Low	79.4	Confident	72 Å²	72	63.8 Å²	63.8	39%	0.385	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-51	179.2	-65.5	-49.2	0	0	0	111.1	V508 S509 N609 Q613	V508-D611 HydrophobicContact CG1-CB 4.5Å; S509-D611 PolarHBondContact N-OD1 2.82Å; N609-D611 PolarHBondContact OD1-N 2.78Å; D611-Q613 PolarHBondContact O-N 3.43Å
612	D	66.9	Low	79.9	Confident	124 Å²	124	58.7 Å²	58.7	66%	0.663	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	98.6	166.1	-82.7	-42.5	0	0	0	109.9	N609 N614	N609-D612 HydrophobicContact CB-CB 4.49Å; N609-D612 WeakPolarHBondContact CB-O 3.38Å; N609-D612 VanDerWaalsContact O-O 3.05Å; N609-D612 PolarHBondContact OD1-N 3.29Å; D612-N614 PolarHBondContact O-N 2.93Å
613	Q	71.3	Confident	80.3	Confident	75 Å²	75	57.8 Å²	57.8	35%	0.35	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	88.6	-172.8	-63.6	173.1	-3	0	0	112.6	V508 D611 F615 L617	V508-Q613 VanDerWaalsContact CG2-NE2 3.34Å; D611-Q613 PolarHBondContact O-N 3.43Å; Q613-F615 VanDerWaalsContact C-N 3.31Å; Q613-F615 PolarHBondContact O-N 3.24Å; Q613-L617 HydrophobicContact CG-CD1 4.43Å
614	N	80.3	Confident	80.9	Confident	53 Å²	53	54.6 Å²	54.6	28%	0.283	30%	0.298	S	S	.	.			trans	-92.5	24.2	-177.2	68.3	-15	0	0	0	114.4	Y606 E607 F608 N609 D612	Y606-N614 WeakPolarHBondContact CE1-ND2 3.17Å; Y606-N614 PolarHBondContact OH-ND2 3.43Å; Y606-N614 PolarHBondContact OH-O 3Å; E607-N614 PolarHBondContact O-ND2 3.43Å; F608-N614 WeakPolarHBondContact CA-OD1 3.38Å; N609-N614 PolarHBondContact N-OD1 2.92Å; D612-N614 PolarHBondContact O-N 2.93Å
615	F	82.2	Confident	81.8	Confident	14 Å²	14	47.7 Å²	47.7	6%	0.061	27%	0.266	C	S	.	.	S	Bend	trans	-143.9	153	-179.3	50.6	-92.5	0	0	0	111.3	I498 V527 I529 L542 F602 F608 N609 Q613 L617	I498-F615 HydrophobicContact CD1-CE2 4.11Å; I498-F615 HydrophobicContact CD1-CZ 3.57Å; I498-F615 HydrophobicContact CG1-CZ 4.25Å; V527-F615 HydrophobicContact CG1-CE2 4.38Å; I529-F615 HydrophobicContact CD1-CB 4.21Å; I529-F615 HydrophobicContact CD1-CD1 3.69Å; I529-F615 HydrophobicContact CD1-CD2 3.91Å; I529-F615 HydrophobicContact CD1-CE1 3.9Å; I529-F615 HydrophobicContact CD1-CE2 4.09Å; I529-F615 HydrophobicContact CD1-CG 3.68Å; I529-F615 HydrophobicContact CD1-CZ 4.07Å; L542-F615 HydrophobicContact CD1-CD2 3.62Å; L542-F615 HydrophobicContact CD1-CE2 4.2Å; L542-F615 HydrophobicContact CD1-CG 4.46Å; F602-F615 HydrophobicContact CE1-CB 4.43Å; F608-F615 HydrophobicContact CB-CD1 4.49Å; F608-F615 HydrophobicContact CD1-CB 4.19Å; F608-F615 AromaticContact CD1-CD1 3.83Å; F608-F615 HydrophobicContact CD1-CD1 3.83Å; F608-F615 HydrophobicContact CD1-CG 4.34Å; F608-F615 HydrophobicContact CE1-CB 4.24Å; N609-F615 WeakPolarHBondContact O-CE1 3.49Å; Q613-F615 VanDerWaalsContact C-N 3.31Å; Q613-F615 PolarHBondContact O-N 3.24Å; F615-L617 HydrophobicContact CD2-CD2 4.1Å; F615-L617 HydrophobicContact CE2-CD2 3.74Å; F615-L617 PolarHBondContact O-N 2.62Å
616	P	83.5	Confident	82.6	Confident	48 Å²	48	44.6 Å²	44.6	31%	0.312	24%	0.235	S	C	.	.			trans	-65.2	130.3	-178.3	26.2	-35.5	0	0	0	112.3	L542 L595 L597	L542-P616 WeakPolarHBondContact CD1-O 3.29Å; L595-P616 HydrophobicContact CD2-CB 4.24Å; L595-P616 HydrophobicContact CD2-CG 3.58Å; L597-P616 HydrophobicContact CD2-CG 3.88Å
617	L	81.4	Confident	83.1	Confident	17 Å²	17	41.2 Å²	41.2	9%	0.089	22%	0.221	C	C	.	.			trans	-104.9	-7.5	171.2	-68.4	-178.3	0	0	0	113.5	V527 M544 R554 Q613 F615	V527-L617 HydrophobicContact CG2-CD2 4.21Å; M544-L617 HydrophobicContact CE-CD2 3.89Å; R554-L617 WeakPolarHBondContact CD-O 3.3Å; Q613-L617 HydrophobicContact CG-CD1 4.43Å; F615-L617 HydrophobicContact CD2-CD2 4.1Å; F615-L617 HydrophobicContact CE2-CD2 3.74Å; F615-L617 PolarHBondContact O-N 2.62Å
618	D	85.5	Confident	83.7	Confident	100 Å²	100	33 Å²	33	54%	0.535	18%	0.183	S	C	.	.	S	Bend	trans	-125.5	155.4	-178.9	-60.4	-49.6	0	0	0	109.8	R554	R554-D618 WeakPolarHBondContact CG-OD1 3.34Å; R554-D618 IonicContact CZ-OD1 3.74Å; R554-D618 IonicContact NH1-OD1 2.8Å; R554-D618 PolarHBondContact NH1-OD1 2.92Å; R554-D618 IonicContact NH1-OD2 3.25Å
619	G	85.9	Confident	84.2	Confident	36 Å²	36	32.6 Å²	32.6	37%	0.371	18%	0.182	S	C	.	.	S	Bend	trans	82.6	25	-175	0	0	0	0	0	113.6	R554 S556	R554-G619 PolarHBondContact O-N 3.13Å; S556-G619 WeakPolarHBondContact OG-CA 3.35Å; S556-G619 PolarHBondContact OG-O 2.95Å
620	L	90.5	Very high	84.9	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	167	-178.4	-53.4	177.8	0	0	0	112	L542 M544 R554 C555 S556 T557 C593 L595	L542-L620 HydrophobicContact CD2-CD2 3.99Å; M544-L620 HydrophobicContact CB-CD1 4.47Å; M544-L620 HydrophobicContact CE-CD1 3.48Å; M544-L620 VanDerWaalsContact CE-CD1 3.48Å; M544-L620 HydrophobicContact SD-CD1 3.85Å; R554-L620 HydrophobicContact CB-CD1 4.47Å; R554-L620 PolarHBondContact O-N 2.98Å; R554-L620 VanDerWaalsContact O-N 3.14Å; C555-L620 CarbonylContact C-O 3.58Å; C555-L620 VanDerWaalsContact CA-O 3.23Å; C555-L620 WeakPolarHBondContact CA-O 3.34Å; C555-L620 WeakPolarHBondContact CB-O 3.45Å; S556-L620 PolarHBondContact N-O 2.98Å; T557-L620 PolarHBondContact N-O 3.15Å; C593-L620 HydrophobicContact CB-CB 4.31Å; C593-L620 VanDerWaalsContact SG-CD1 3.58Å; L595-L620 HydrophobicContact CB-CD2 3.68Å; L595-L620 HydrophobicContact CD2-CD2 3.93Å; L595-L620 HydrophobicContact CG-CD2 4.37Å
621	R	91.5	Very high	86.1	Confident	47 Å²	47	29.6 Å²	29.6	18%	0.177	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	113.2	172.9	-179	178.1	67.9	156.1	-2	110.4	T557 A559 C593 D594 L623	T557-R621 CarbonylContact O-C 3.26Å; T557-R621 WeakPolarHBondContact O-CA 3.43Å; T557-R621 WeakPolarHBondContact OG1-CA 3.24Å; A559-R621 HydrophobicContact CB-CG 4.43Å; C593-R621 CarbonylContact C-O 3.59Å; C593-R621 WeakPolarHBondContact CA-O 3.45Å; C593-R621 WeakPolarHBondContact CB-O 3.46Å; D594-R621 VanDerWaalsContact CG-NH2 3.25Å; D594-R621 PolarHBondContact N-O 2.81Å; D594-R621 WeakPolarHBondContact O-CB 3.26Å; D594-R621 PolarHBondContact O-N 2.95Å; D594-R621 IonicContact OD1-CZ 2.67Å; D594-R621 VanDerWaalsContact OD1-CZ 3.27Å; D594-R621 IonicContact OD1-NE 3.73Å; D594-R621 PolarHBondContact OD1-NE 2.85Å; D594-R621 IonicContact OD1-NH2 3.64Å; D594-R621 PolarHBondContact OD1-NH2 3.35Å; D594-R621 IonicContact OD2-CZ 3.59Å; D594-R621 IonicContact OD2-NH2 2.68Å; D594-R621 PolarHBondContact OD2-NH2 2.83Å; R621-L623 HydrophobicContact CG-CD2 4.35Å
622	F	93.8	Very high	87.3	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	133.5	172.8	-165.2	-86.9	0	0	0	110.3	W410 I551 F552 C555 T557 I558 A559 F575 G624 L625	W410-F622 HydrophobicContact CE3-CE1 4.12Å; W410-F622 HydrophobicContact CZ3-CD1 4.42Å; W410-F622 AromaticContact CZ3-CE1 3.7Å; W410-F622 HydrophobicContact CZ3-CE1 3.7Å; W410-F622 HydrophobicContact CZ3-CZ 4.47Å; I551-F622 HydrophobicContact CG2-CD2 4.01Å; I551-F622 HydrophobicContact CG2-CE2 3.95Å; F552-F622 HydrophobicContact CB-CE2 4.34Å; F552-F622 AromaticContact CD2-CD2 3.84Å; F552-F622 HydrophobicContact CD2-CD2 3.84Å; F552-F622 AromaticContact CD2-CE2 3.91Å; F552-F622 HydrophobicContact CD2-CE2 3.91Å; F552-F622 HydrophobicContact CD2-CG 4.23Å; F552-F622 HydrophobicContact CD2-CZ 4.37Å; C555-F622 HydrophobicContact CB-CB 3.83Å; T557-F622 PolarHBondContact O-N 3.41Å; I558-F622 WeakPolarHBondContact CA-O 3.32Å; I558-F622 HydrophobicContact CB-CB 4.3Å; I558-F622 HydrophobicContact CD1-CD1 3.84Å; I558-F622 HydrophobicContact CG1-CB 4.23Å; I558-F622 HydrophobicContact CG1-CD1 4.06Å; A559-F622 PolarHBondContact N-O 2.7Å; F575-F622 HydrophobicContact CD2-CE1 4.4Å; F575-F622 HydrophobicContact CD2-CE2 4.35Å; F575-F622 AromaticContact CD2-CZ 3.9Å; F575-F622 HydrophobicContact CD2-CZ 3.9Å; F575-F622 AromaticContact CE2-CE2 3.93Å; F575-F622 HydrophobicContact CE2-CE2 3.93Å; F575-F622 AromaticContact CE2-CZ 3.71Å; F575-F622 HydrophobicContact CE2-CZ 3.71Å; F622-G624 VanDerWaalsContact CE1-CA 3.47Å; F622-G624 WeakPolarHBondContact CZ-O 3.4Å; F622-L625 HydrophobicContact CZ-CD2 3.87Å; F622-L625 HydrophobicContact CZ-CG 4.18Å
623	L	92.3	Very high	88.3	Confident	3 Å²	3	22.6 Å²	22.6	2%	0.016	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-42.1	-179.8	-61.3	178.8	0	0	0	112.5	A438 L439 V442 A559 F592 D594 R621	A438-L623 HydrophobicContact CB-CD1 3.92Å; A438-L623 HydrophobicContact CB-CD2 3.88Å; L439-L623 HydrophobicContact CB-CB 4.49Å; L439-L623 HydrophobicContact CD1-CB 4.28Å; V442-L623 HydrophobicContact CB-CD1 4.3Å; V442-L623 HydrophobicContact CG2-CD1 3.45Å; V442-L623 VanDerWaalsContact CG2-CD1 3.45Å; A559-L623 HydrophobicContact CB-CD2 3.87Å; F592-L623 PolarHBondContact O-N 3.46Å; D594-L623 HydrophobicContact CB-CD1 4.25Å; R621-L623 HydrophobicContact CG-CD2 4.35Å
624	G	92.7	Very high	89	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.1	178.2	-175	0	0	0	0	0	114.7	W410 F592 F622	W410-G624 CarbonylContact O-C 3.56Å; W410-G624 WeakPolarHBondContact O-CA 3.37Å; F592-G624 PolarHBondContact N-O 3.43Å; F592-G624 PolarHBondContact O-N 3.02Å; F622-G624 VanDerWaalsContact CE1-CA 3.47Å; F622-G624 WeakPolarHBondContact CZ-O 3.4Å
625	L	94.1	Very high	89.4	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	148.1	167.1	-58.2	170.1	0	0	0	109.7	M409 W410 P548 F575 A578 L582 V589 L590 F622	M409-L625 CarbonylContact C-O 3.5Å; M409-L625 WeakPolarHBondContact CA-O 3.41Å; W410-L625 HydrophobicContact CB-CB 4.04Å; W410-L625 HydrophobicContact CB-CD1 4.4Å; W410-L625 HydrophobicContact CB-CG 4.47Å; W410-L625 HydrophobicContact CE3-CD1 4.11Å; W410-L625 HydrophobicContact CE3-CG 4.04Å; W410-L625 PolarHBondContact N-O 2.94Å; W410-L625 PolarHBondContact O-N 2.85Å; P548-L625 HydrophobicContact CB-CD2 3.84Å; P548-L625 HydrophobicContact CG-CD2 4.13Å; F575-L625 HydrophobicContact CD2-CD1 4.47Å; F575-L625 HydrophobicContact CE2-CD1 4.35Å; F575-L625 HydrophobicContact CE2-CD2 3.85Å; F575-L625 HydrophobicContact CE2-CG 4.4Å; A578-L625 HydrophobicContact CB-CD1 4.45Å; L582-L625 HydrophobicContact CD1-CB 4.4Å; L582-L625 HydrophobicContact CD1-CD1 4.26Å; V589-L625 HydrophobicContact CG1-CB 3.93Å; V589-L625 HydrophobicContact CG1-CD1 4.07Å; V589-L625 HydrophobicContact CG1-CD2 3.97Å; V589-L625 HydrophobicContact CG1-CG 4.21Å; L590-L625 CarbonylContact O-C 3.5Å; L590-L625 VanDerWaalsContact O-CA 3.3Å; L590-L625 WeakPolarHBondContact O-CA 3.37Å; F622-L625 HydrophobicContact CZ-CD2 3.87Å; F622-L625 HydrophobicContact CZ-CG 4.18Å
626	I	93.9	Very high	89.9	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	126.2	162.9	-54.5	178.1	0	0	0	107.3	V406 M409 L439 A443 L474 L590 F592	V406-I626 HydrophobicContact CB-CG2 4.28Å; V406-I626 HydrophobicContact CG1-CG2 3.44Å; V406-I626 VanDerWaalsContact CG1-CG2 3.44Å; V406-I626 HydrophobicContact CG2-CG2 3.86Å; M409-I626 HydrophobicContact CG-CG1 4.24Å; M409-I626 HydrophobicContact CG-CG2 4.27Å; L439-I626 HydrophobicContact CD1-CD1 4.19Å; L439-I626 HydrophobicContact CD1-CG1 4.24Å; L439-I626 HydrophobicContact CD2-CD1 4.46Å; L439-I626 HydrophobicContact CD2-CG1 4.24Å; L439-I626 HydrophobicContact CG-CD1 4.18Å; L439-I626 HydrophobicContact CG-CG1 4.39Å; A443-I626 HydrophobicContact CB-CD1 4.01Å; L474-I626 HydrophobicContact CD2-CB 4.32Å; L474-I626 HydrophobicContact CD2-CD1 3.9Å; L474-I626 HydrophobicContact CD2-CG2 3.94Å; L590-I626 PolarHBondContact N-O 2.77Å; L590-I626 PolarHBondContact O-N 3.09Å; F592-I626 HydrophobicContact CD2-CB 4.29Å; F592-I626 HydrophobicContact CD2-CD1 4.18Å; F592-I626 HydrophobicContact CD2-CG1 3.91Å; F592-I626 HydrophobicContact CE1-CD1 4.33Å; F592-I626 HydrophobicContact CE2-CB 3.56Å; F592-I626 HydrophobicContact CE2-CD1 3.79Å; F592-I626 HydrophobicContact CE2-CG1 3.59Å; F592-I626 HydrophobicContact CZ-CB 4.15Å; F592-I626 HydrophobicContact CZ-CD1 3.87Å; F592-I626 HydrophobicContact CZ-CG1 4.17Å
627	S	93.1	Very high	90.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	153.3	173.3	71.9	0	0	0	0	111.2	V406 A407 H408 E587 R588	V406-S627 WeakPolarHBondContact CA-O 3.45Å; A407-S627 PolarHBondContact N-O 3.47Å; H408-S627 WeakPolarHBondContact CB-OG 3.4Å; H408-S627 PolarHBondContact N-OG 3.29Å; H408-S627 VanDerWaalsContact N-OG 3.09Å; H408-S627 PolarHBondContact O-N 3.12Å; H408-S627 PolarHBondContact O-OG 3.03Å; E587-S627 WeakPolarHBondContact OE2-CB 3.43Å; E587-S627 PolarHBondContact OE2-OG 2.75Å; R588-S627 CarbonylContact O-C 3.54Å; R588-S627 WeakPolarHBondContact O-CA 3.4Å
628	M	92.4	Very high	90.8	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	145.1	179.5	57.5	-171.2	70.7	0	0	110.8	M404 T405 S470 A473 L474 R588 L590	M404-M628 HydrophobicContact CG-CB 4.02Å; M404-M628 HydrophobicContact CG-CG 3.85Å; M404-M628 HydrophobicContact CG-SD 3.73Å; M404-M628 HydrophobicContact SD-CB 3.85Å; M404-M628 HydrophobicContact SD-CG 3.63Å; M404-M628 HydrophobicContact SD-SD 4.26Å; T405-M628 CarbonylContact O-C 3.51Å; T405-M628 WeakPolarHBondContact O-CA 3.33Å; T405-M628 VanDerWaalsContact O-CB 3.29Å; T405-M628 WeakPolarHBondContact O-CB 3.41Å; S470-M628 WeakPolarHBondContact CA-SD 3.21Å; S470-M628 WeakPolarHBondContact CB-SD 3.14Å; S470-M628 PolarHBondContact OG-SD 2.94Å; A473-M628 HydrophobicContact CB-SD 4.29Å; L474-M628 HydrophobicContact CD1-CE 4.28Å; L474-M628 HydrophobicContact CD2-CE 4.07Å; L474-M628 HydrophobicContact CG-CE 3.91Å; R588-M628 HydrophobicContact CB-CG 4.02Å; R588-M628 PolarHBondContact N-O 2.73Å; R588-M628 WeakPolarHBondContact O-CG 3.25Å; R588-M628 PolarHBondContact O-N 3.45Å; L590-M628 HydrophobicContact CD1-CE 3.7Å; L590-M628 HydrophobicContact CG-CE 4.37Å
629	I	90.7	Very high	91.2	Very high	16 Å²	16	18.6 Å²	18.6	8%	0.082	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	167.7	179	-158.5	167.2	0	0	0	109	M404 T405 A407 E587 P631 I664	M404-I629 WeakPolarHBondContact CA-O 3.4Å; T405-I629 PolarHBondContact N-O 2.84Å; T405-I629 PolarHBondContact O-N 2.91Å; A407-I629 HydrophobicContact CB-CG2 3.9Å; E587-I629 HydrophobicContact CG-CB 4.21Å; E587-I629 HydrophobicContact CG-CD1 4.11Å; I629-P631 HydrophobicContact CG2-CB 4.33Å; I629-P631 VanDerWaalsContact O-CD 3.31Å; I629-P631 WeakPolarHBondContact O-CD 3.39Å; I629-I664 HydrophobicContact CD1-CD1 3.7Å; I629-I664 HydrophobicContact CD1-CG1 4.33Å; I629-I664 HydrophobicContact CG1-CD1 4.23Å
630	D	88.8	Confident	91.6	Very high	15 Å²	15	16.9 Å²	16.9	8%	0.08	10%	0.102	C	C	.	.			trans	-87.9	100.9	162.3	176.7	28.5	0	0	0	108.1	K395 T400 Q401 N402 R403 I664	K395-D630 IonicContact NZ-OD2 3.9Å; T400-D630 VanDerWaalsContact CB-CG 3.47Å; T400-D630 WeakPolarHBondContact CB-OD2 3.2Å; T400-D630 WeakPolarHBondContact CG2-O 3.24Å; T400-D630 VanDerWaalsContact OG1-CG 3.25Å; T400-D630 PolarHBondContact OG1-OD1 3.02Å; T400-D630 PolarHBondContact OG1-OD2 3.43Å; Q401-D630 PolarHBondContact N-OD1 3.5Å; N402-D630 VanDerWaalsContact CA-OD1 3.26Å; N402-D630 WeakPolarHBondContact CA-OD1 3.26Å; N402-D630 PolarHBondContact N-OD1 3.1Å; R403-D630 PolarHBondContact N-OD1 3.25Å; D630-I664 WeakPolarHBondContact O-CD1 3.49Å
631	P	90.5	Very high	91.7	Very high	1 Å²	1	20 Å²	20	1%	0.006	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-79	157.5	-165.4	33.4	-35.8	0	0	0	112.1	T400 Q401 R403 T420 I629	T400-P631 CarbonylContact C-O 3.58Å; T400-P631 WeakPolarHBondContact CA-O 3.49Å; T400-P631 VanDerWaalsContact CB-O 3.26Å; T400-P631 WeakPolarHBondContact CB-O 3.46Å; Q401-P631 HydrophobicContact CG-CG 4.39Å; Q401-P631 PolarHBondContact N-O 2.88Å; R403-P631 WeakPolarHBondContact O-CD 3.36Å; T420-P631 HydrophobicContact CG2-CB 4.16Å; I629-P631 HydrophobicContact CG2-CB 4.33Å; I629-P631 VanDerWaalsContact O-CD 3.31Å; I629-P631 WeakPolarHBondContact O-CD 3.39Å
632	P	91.4	Very high	91.8	Very high	27 Å²	27	22.1 Å²	22.1	18%	0.175	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-60.3	153.5	171.7	27.9	-35	0	0	0	111.6	L399 Q401 V668	L399-P632 WeakPolarHBondContact O-CA 3.32Å; Q401-P632 PolarHBondContact NE2-O 3.43Å; P632-V668 HydrophobicContact CB-CG1 3.75Å
633	R	89.3	Confident	91.9	Very high	22 Å²	22	22.1 Å²	22.1	8%	0.083	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-72.2	141.7	169	-61	174.2	176.5	-96.4	21.5	109.4	G397 L399 T400 Q401 E422 A635 V636 P637 D790	G397-R633 PolarHBondContact O-NE 2.95Å; G397-R633 PolarHBondContact O-NH2 2.73Å; L399-R633 PolarHBondContact O-N 3.08Å; T400-R633 PolarHBondContact O-NE 3.37Å; T400-R633 VanDerWaalsContact O-NE 3.07Å; Q401-R633 HydrophobicContact CG-CG 3.9Å; E422-R633 IonicContact OE1-NH1 3.1Å; E422-R633 PolarHBondContact OE1-NH1 3.09Å; E422-R633 VanDerWaalsContact OE1-NH1 3.13Å; R633-A635 PolarHBondContact O-N 3.36Å; R633-V636 HydrophobicContact CB-CG2 3.81Å; R633-V636 WeakPolarHBondContact O-CB 3.46Å; R633-V636 PolarHBondContact O-N 3.03Å; R633-P637 WeakPolarHBondContact O-CD 3.27Å; R633-D790 IonicContact CZ-OD2 2.61Å; R633-D790 IonicContact NH2-OD2 2.67Å; R633-D790 PolarHBondContact NH2-OD2 2.8Å
634	A	85.4	Confident	91.9	Very high	64 Å²	64	25.5 Å²	25.5	53%	0.529	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-31.7	-170.3	0	0	0	0	0	114.9
635	A	88.5	Confident	92	Very high	32 Å²	32	29.3 Å²	29.3	26%	0.264	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-12.4	179.4	0	0	0	0	0	114.5	R633 A639 N791 A793	R633-A635 PolarHBondContact O-N 3.36Å; A635-A639 VanDerWaalsContact O-CB 3.26Å; A635-A639 WeakPolarHBondContact O-CB 3.44Å; A635-A639 PolarHBondContact O-N 3.31Å; A635-N791 WeakPolarHBondContact CB-OD1 3.42Å; A635-A793 HydrophobicContact CB-CB 4.2Å
636	V	92.3	Very high	91.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65.9	-45.8	-172.7	165.7	0	0	0	0	113.2	L399 R633 D638 A639 V640 V668 F792	L399-V636 HydrophobicContact CB-CG1 4.34Å; L399-V636 HydrophobicContact CD2-CG1 3.56Å; R633-V636 HydrophobicContact CB-CG2 3.81Å; R633-V636 WeakPolarHBondContact O-CB 3.46Å; R633-V636 PolarHBondContact O-N 3.03Å; V636-D638 PolarHBondContact O-N 2.94Å; V636-A639 PolarHBondContact O-N 3.47Å; V636-V640 HydrophobicContact CG1-CG2 4.1Å; V636-V640 WeakPolarHBondContact O-CG2 3.41Å; V636-V640 PolarHBondContact O-N 3.31Å; V636-V668 HydrophobicContact CG1-CB 3.86Å; V636-V668 HydrophobicContact CG1-CG1 3.58Å; V636-F792 HydrophobicContact CG2-CB 3.48Å; V636-F792 VanDerWaalsContact CG2-CB 3.48Å; V636-F792 HydrophobicContact CG2-CD1 4.46Å; V636-F792 HydrophobicContact CG2-CD2 4.43Å; V636-F792 HydrophobicContact CG2-CG 3.9Å
637	P	91.8	Very high	91.9	Very high	47 Å²	47	31.1 Å²	31.1	31%	0.305	19%	0.193	S	C	.	.	H	α-helix	trans	-60.1	-43.5	-179.3	-25.3	35	0	0	0	113.6	R633 S641	R633-P637 WeakPolarHBondContact O-CD 3.27Å; P637-S641 WeakPolarHBondContact O-CB 3.39Å; P637-S641 PolarHBondContact O-N 3.29Å
638	D	92.7	Very high	92.1	Very high	79 Å²	79	31.3 Å²	31.3	42%	0.422	19%	0.194	S	C	.	.	H	α-helix	trans	-66	-41.7	174.9	170.6	64	0	0	0	111.7	V636 S641 K642	V636-D638 PolarHBondContact O-N 2.94Å; D638-S641 WeakPolarHBondContact O-CB 3.27Å; D638-S641 PolarHBondContact O-N 3.44Å; D638-K642 VanDerWaalsContact CG-NZ 3.34Å; D638-K642 WeakPolarHBondContact O-CG 3.44Å; D638-K642 PolarHBondContact O-N 3.06Å; D638-K642 WeakPolarHBondContact OD1-CE 3.43Å; D638-K642 IonicContact OD1-NZ 2.77Å; D638-K642 PolarHBondContact OD1-NZ 3.2Å; D638-K642 VanDerWaalsContact OD2-CE 3.31Å; D638-K642 WeakPolarHBondContact OD2-CE 3.35Å; D638-K642 IonicContact OD2-NZ 3.96Å; D638-K642 PolarHBondContact OD2-NZ 3Å
639	A	93.6	Very high	92.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65.3	-43.5	179.1	0	0	0	0	0	112.8	A635 V636 K642 C643 F792 A793 V796	A635-A639 VanDerWaalsContact O-CB 3.26Å; A635-A639 WeakPolarHBondContact O-CB 3.44Å; A635-A639 PolarHBondContact O-N 3.31Å; V636-A639 PolarHBondContact O-N 3.47Å; A639-K642 PolarHBondContact O-N 3.03Å; A639-C643 PolarHBondContact O-N 3.01Å; A639-C643 PolarHBondContact O-SG 2.89Å; A639-C643 VanDerWaalsContact O-SG 3.41Å; A639-F792 HydrophobicContact CB-CD1 3.74Å; A639-F792 HydrophobicContact CB-CE1 4.44Å; A639-A793 HydrophobicContact CB-CB 4.37Å; A639-V796 HydrophobicContact CB-CG2 3.73Å
640	V	94.5	Very high	92.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61.4	-44.7	173.1	171.2	0	0	0	0	110.4	V636 K642 C643 R644 V650 V668 I670 F792	V636-V640 HydrophobicContact CG1-CG2 4.1Å; V636-V640 WeakPolarHBondContact O-CG2 3.41Å; V636-V640 PolarHBondContact O-N 3.31Å; V640-K642 VanDerWaalsContact C-N 3.33Å; V640-K642 PolarHBondContact O-N 3.04Å; V640-C643 PolarHBondContact O-N 3.13Å; V640-R644 HydrophobicContact CG1-CG 4.42Å; V640-R644 WeakPolarHBondContact O-CG 3.43Å; V640-R644 PolarHBondContact O-N 3.47Å; V640-V650 HydrophobicContact CG1-CG2 4.41Å; V640-V668 WeakPolarHBondContact CB-O 3.4Å; V640-V668 VanDerWaalsContact CG1-O 3.3Å; V640-V668 WeakPolarHBondContact CG1-O 3.46Å; V640-I670 HydrophobicContact CG1-CG1 4.05Å; V640-F792 HydrophobicContact CG2-CE1 4.16Å
641	S	93.4	Very high	92.8	Very high	65 Å²	65	32.5 Å²	32.5	46%	0.455	20%	0.198	S	C	.	.	H	α-helix	trans	-58.1	-41.6	175.3	-174.9	0	0	0	0	112.7	P637 D638 R644 S645	P637-S641 WeakPolarHBondContact O-CB 3.39Å; P637-S641 PolarHBondContact O-N 3.29Å; D638-S641 WeakPolarHBondContact O-CB 3.27Å; D638-S641 PolarHBondContact O-N 3.44Å; S641-R644 PolarHBondContact O-N 3.11Å; S641-S645 WeakPolarHBondContact O-CB 3.42Å; S641-S645 PolarHBondContact O-N 3.33Å; S641-S645 PolarHBondContact O-OG 3.43Å
642	K	93.6	Very high	93.1	Very high	93 Å²	93	32.5 Å²	32.5	40%	0.404	20%	0.198	S	C	.	.	H	α-helix	trans	-66.8	-42.5	174.7	-74.6	170	179.1	162.8	0	112.6	D638 A639 V640 R644 S645 A646 V796	D638-K642 VanDerWaalsContact CG-NZ 3.34Å; D638-K642 WeakPolarHBondContact O-CG 3.44Å; D638-K642 PolarHBondContact O-N 3.06Å; D638-K642 WeakPolarHBondContact OD1-CE 3.43Å; D638-K642 IonicContact OD1-NZ 2.77Å; D638-K642 PolarHBondContact OD1-NZ 3.2Å; D638-K642 VanDerWaalsContact OD2-CE 3.31Å; D638-K642 WeakPolarHBondContact OD2-CE 3.35Å; D638-K642 IonicContact OD2-NZ 3.96Å; D638-K642 PolarHBondContact OD2-NZ 3Å; A639-K642 PolarHBondContact O-N 3.03Å; V640-K642 VanDerWaalsContact C-N 3.33Å; V640-K642 PolarHBondContact O-N 3.04Å; K642-R644 VanDerWaalsContact C-N 3.35Å; K642-R644 PolarHBondContact O-N 3.11Å; K642-S645 WeakPolarHBondContact O-CB 3.39Å; K642-S645 PolarHBondContact O-N 3.21Å; K642-A646 WeakPolarHBondContact O-CB 3.26Å; K642-A646 PolarHBondContact O-N 3.04Å; K642-V796 HydrophobicContact CB-CG1 3.76Å; K642-V796 HydrophobicContact CB-CG2 4.19Å; K642-V796 HydrophobicContact CD-CG1 4.1Å
643	C	94.6	Very high	93.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59	-44.8	173.2	-72.5	0	0	0	0	111.9	I391 A639 V640 A646 G647 I648 V650	I391-C643 HydrophobicContact CD1-CB 4.3Å; A639-C643 PolarHBondContact O-N 3.01Å; A639-C643 PolarHBondContact O-SG 2.89Å; A639-C643 VanDerWaalsContact O-SG 3.41Å; V640-C643 PolarHBondContact O-N 3.13Å; C643-A646 CarbonylContact O-C 3.55Å; C643-A646 PolarHBondContact O-N 2.99Å; C643-G647 PolarHBondContact O-N 2.67Å; C643-I648 HydrophobicContact CB-CB 4.36Å; C643-I648 VanDerWaalsContact O-CB 3.31Å; C643-I648 WeakPolarHBondContact O-CB 3.4Å; C643-I648 PolarHBondContact O-N 3.32Å; C643-V650 HydrophobicContact CB-CG2 4.18Å
644	R	93.6	Very high	93.4	Very high	74 Å²	74	30.5 Å²	30.5	28%	0.279	19%	0.188	S	C	.	.	H	α-helix	trans	-65.9	-38.3	176.9	-66	-175.5	75	-169.5	1.8	112	V640 S641 K642 A646 G647 V650 G669 S672 E724	V640-R644 HydrophobicContact CG1-CG 4.42Å; V640-R644 WeakPolarHBondContact O-CG 3.43Å; V640-R644 PolarHBondContact O-N 3.47Å; S641-R644 PolarHBondContact O-N 3.11Å; K642-R644 VanDerWaalsContact C-N 3.35Å; K642-R644 PolarHBondContact O-N 3.11Å; R644-A646 VanDerWaalsContact C-N 3.29Å; R644-A646 PolarHBondContact O-N 3.4Å; R644-G647 WeakPolarHBondContact O-CA 3.29Å; R644-G647 PolarHBondContact O-N 3.41Å; R644-V650 HydrophobicContact CG-CG2 4.28Å; R644-G669 WeakPolarHBondContact CD-O 3.38Å; R644-G669 PolarHBondContact NH1-O 2.88Å; R644-S672 PolarHBondContact NH1-OG 3.47Å; R644-S672 PolarHBondContact NH2-OG 3.36Å; R644-S672 VanDerWaalsContact NH2-OG 3.15Å; R644-E724 IonicContact CZ-OE1 3.41Å; R644-E724 IonicContact NH1-OE1 3.32Å; R644-E724 IonicContact NH2-OE1 2.79Å; R644-E724 PolarHBondContact NH2-OE1 3.08Å
645	S	93	Very high	93.4	Very high	79 Å²	79	27.7 Å²	27.7	55%	0.552	17%	0.165	S	C	*	.	H	α-helix	trans	-62.3	-35.7	173.4	-62.3	0	0	0	0	112.5	S641 K642 G647	S641-S645 WeakPolarHBondContact O-CB 3.42Å; S641-S645 PolarHBondContact O-N 3.33Å; S641-S645 PolarHBondContact O-OG 3.43Å; K642-S645 WeakPolarHBondContact O-CB 3.39Å; K642-S645 PolarHBondContact O-N 3.21Å; S645-G647 PolarHBondContact O-N 3.21Å
646	A	93.7	Very high	93.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	7.9	172.7	0	0	0	0	0	114.3	K642 C643 R644 I648 R803 M869 R871 P873	K642-A646 WeakPolarHBondContact O-CB 3.26Å; K642-A646 PolarHBondContact O-N 3.04Å; C643-A646 CarbonylContact O-C 3.55Å; C643-A646 PolarHBondContact O-N 2.99Å; R644-A646 VanDerWaalsContact C-N 3.29Å; R644-A646 PolarHBondContact O-N 3.4Å; A646-I648 VanDerWaalsContact C-N 3.35Å; A646-I648 HydrophobicContact CB-CG1 4.47Å; A646-I648 PolarHBondContact O-N 2.91Å; A646-R803 PolarHBondContact O-NH2 3.19Å; A646-M869 WeakPolarHBondContact CA-O 3.03Å; A646-M869 HydrophobicContact CB-CE 4.01Å; A646-M869 WeakPolarHBondContact CB-O 3.25Å; A646-M869 PolarHBondContact N-O 2.87Å; A646-R871 CarbonylContact C-O 3.43Å; A646-P873 WeakPolarHBondContact O-CD 3.48Å
647	G	93.8	Very high	92.8	Very high	39 Å²	39	31.8 Å²	31.8	40%	0.402	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	17.3	177.8	0	0	0	0	0	115.1	C643 R644 S645 P873	C643-G647 PolarHBondContact O-N 2.67Å; R644-G647 WeakPolarHBondContact O-CA 3.29Å; R644-G647 PolarHBondContact O-N 3.41Å; S645-G647 PolarHBondContact O-N 3.21Å; G647-P873 WeakPolarHBondContact O-CD 3.47Å
648	I	96	Very high	92.6	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.021	17%	0.173	C	C	.	.			trans	-87.5	131.5	178.4	-55.6	177.6	0	0	0	109.3	T388 I391 C643 A646 V799 P873	T388-I648 HydrophobicContact CG2-CG2 4.42Å; I391-I648 HydrophobicContact CB-CG2 4.47Å; I391-I648 HydrophobicContact CD1-CG2 3.78Å; I391-I648 HydrophobicContact CG1-CG2 3.78Å; C643-I648 HydrophobicContact CB-CB 4.36Å; C643-I648 VanDerWaalsContact O-CB 3.31Å; C643-I648 WeakPolarHBondContact O-CB 3.4Å; C643-I648 PolarHBondContact O-N 3.32Å; A646-I648 VanDerWaalsContact C-N 3.35Å; A646-I648 HydrophobicContact CB-CG1 4.47Å; A646-I648 PolarHBondContact O-N 2.91Å; I648-V799 HydrophobicContact CD1-CG1 3.9Å; I648-V799 HydrophobicContact CD1-CG2 3.84Å; I648-P873 HydrophobicContact CG1-CG 4.05Å
649	K	95.4	Very high	92.3	Very high	49 Å²	49	31 Å²	31	21%	0.213	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	127.2	172.6	-172	178.2	-173.2	174	0	109.2	S389 T390 I391 I651 L719 H722 A723	S389-K649 PolarHBondContact O-N 3.34Å; T390-K649 CarbonylContact C-O 3.57Å; T390-K649 VanDerWaalsContact CA-O 3.27Å; T390-K649 WeakPolarHBondContact CA-O 3.25Å; T390-K649 HydrophobicContact CG2-CB 4.46Å; I391-K649 PolarHBondContact N-O 3.47Å; K649-I651 HydrophobicContact CD-CD1 4.23Å; K649-I651 HydrophobicContact CD-CG1 4.39Å; K649-I651 HydrophobicContact CG-CG1 4.23Å; K649-L719 PolarHBondContact NZ-O 3.44Å; K649-H722 WeakPolarHBondContact CE-O 3.33Å; K649-H722 PolarHBondContact NZ-O 2.64Å; K649-A723 VanDerWaalsContact CE-O 3.32Å; K649-A723 WeakPolarHBondContact CE-O 3.44Å
650	V	96	Very high	92	Very high	7 Å²	7	32.2 Å²	32.2	4%	0.042	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	129.3	175.6	-170.7	0	0	0	0	108.7	I391 V640 C643 R644 I670	I391-V650 WeakPolarHBondContact O-CA 3.4Å; V640-V650 HydrophobicContact CG1-CG2 4.41Å; C643-V650 HydrophobicContact CB-CG2 4.18Å; R644-V650 HydrophobicContact CG-CG2 4.28Å; V650-I670 HydrophobicContact CB-CG1 4.18Å; V650-I670 HydrophobicContact CG1-CD1 3.8Å; V650-I670 HydrophobicContact CG1-CG1 3.72Å
651	I	96.8	Very high	91.8	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	126.7	-178.5	-59.6	-179.3	0	0	0	107.9	T390 I391 C392 S393 K649 V653 L719 I725 F727	T390-I651 HydrophobicContact CG2-CD1 3.76Å; T390-I651 HydrophobicContact CG2-CG1 4.17Å; I391-I651 PolarHBondContact O-N 3.25Å; C392-I651 CarbonylContact C-O 3.28Å; C392-I651 WeakPolarHBondContact CA-O 3.42Å; S393-I651 PolarHBondContact N-O 3.29Å; K649-I651 HydrophobicContact CD-CD1 4.23Å; K649-I651 HydrophobicContact CD-CG1 4.39Å; K649-I651 HydrophobicContact CG-CG1 4.23Å; I651-V653 HydrophobicContact CG2-CG2 3.91Å; I651-L719 HydrophobicContact CD1-CD2 4.02Å; I651-I725 HydrophobicContact CD1-CD1 4.49Å; I651-I725 HydrophobicContact CG1-CB 4.37Å; I651-I725 HydrophobicContact CG2-CB 4.17Å; I651-I725 HydrophobicContact CG2-CG2 4.25Å; I651-F727 HydrophobicContact CG2-CD2 3.77Å; I651-F727 HydrophobicContact CG2-CE2 3.9Å
652	M	96.7	Very high	91.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	133.8	171.5	-175.7	-177.6	-76	0	0	109.7	S393 K395 L399 T654 A661 I664 A665 I670 I725 V726 F727	S393-M652 CarbonylContact O-C 3.52Å; S393-M652 WeakPolarHBondContact O-CA 3.34Å; K395-M652 HydrophobicContact CB-CE 4.35Å; K395-M652 HydrophobicContact CB-CG 4.38Å; K395-M652 HydrophobicContact CB-SD 4.05Å; K395-M652 HydrophobicContact CG-CE 4.06Å; K395-M652 HydrophobicContact CG-SD 4.1Å; L399-M652 HydrophobicContact CD1-CE 3.81Å; M652-T654 HydrophobicContact CG-CG2 4.28Å; M652-T654 HydrophobicContact SD-CG2 4.18Å; M652-A661 HydrophobicContact SD-CB 4.03Å; M652-I664 HydrophobicContact CE-CB 4.28Å; M652-I664 HydrophobicContact CE-CG2 3.9Å; M652-A665 HydrophobicContact CE-CB 3.82Å; M652-A665 HydrophobicContact SD-CB 4.26Å; M652-I670 HydrophobicContact CB-CD1 4.14Å; M652-I670 HydrophobicContact CE-CD1 4.27Å; M652-I725 PolarHBondContact N-O 2.7Å; M652-V726 HydrophobicContact CB-CG1 4.22Å; M652-V726 HydrophobicContact CB-CG2 4.26Å; M652-V726 HydrophobicContact CG-CG1 4.4Å; M652-V726 HydrophobicContact SD-CG1 4.04Å; M652-F727 PolarHBondContact O-N 3.28Å
653	V	95.1	Very high	91.5	Very high	7 Å²	7	26.9 Å²	26.9	4%	0.042	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	93	179.7	-174.2	0	0	0	0	109.5	C392 S393 D394 I651 F727 T730 K735 I738	C392-V653 HydrophobicContact CB-CG2 4.18Å; S393-V653 PolarHBondContact O-N 2.87Å; D394-V653 VanDerWaalsContact OD1-O 3.09Å; I651-V653 HydrophobicContact CG2-CG2 3.91Å; V653-F727 HydrophobicContact CG2-CD2 4.22Å; V653-T730 HydrophobicContact CG1-CG2 4.47Å; V653-K735 HydrophobicContact CG1-CB 4.05Å; V653-K735 HydrophobicContact CG1-CD 3.97Å; V653-K735 HydrophobicContact CG1-CG 3.73Å; V653-K735 WeakPolarHBondContact O-CE 3.31Å; V653-K735 PolarHBondContact O-NZ 3.37Å; V653-I738 HydrophobicContact CG1-CD1 3.65Å; V653-I738 HydrophobicContact CG2-CD1 4.38Å; V653-I738 HydrophobicContact CG2-CG2 4.03Å
654	T	91.6	Very high	91.4	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	15%	0.152	C	C	.	.			trans	-127.5	155.5	-170.8	-172	0	0	0	0	114.1	D394 K395 M652 D656 A661 F727 A728 R729 T730	D394-T654 WeakPolarHBondContact OD1-CA 3.39Å; K395-T654 HydrophobicContact CB-CG2 4.08Å; K395-T654 WeakPolarHBondContact CB-OG1 3.45Å; M652-T654 HydrophobicContact CG-CG2 4.28Å; M652-T654 HydrophobicContact SD-CG2 4.18Å; T654-D656 VanDerWaalsContact C-N 3.33Å; T654-D656 HydrophobicContact CG2-CB 4.03Å; T654-D656 PolarHBondContact OG1-N 2.93Å; T654-A661 HydrophobicContact CG2-CB 3.73Å; T654-F727 PolarHBondContact N-O 2.89Å; T654-A728 CarbonylContact O-C 3.53Å; T654-A728 WeakPolarHBondContact O-CA 3.4Å; T654-R729 PolarHBondContact O-N 2.98Å; T654-R729 VanDerWaalsContact O-N 3.14Å; T654-T730 VanDerWaalsContact C-OG1 3.25Å; T654-T730 PolarHBondContact O-N 3.31Å; T654-T730 PolarHBondContact O-OG1 3.22Å
655	G	85.2	Confident	91.4	Very high	5 Å²	5	23.4 Å²	23.4	5%	0.052	14%	0.139	C	C	.	.	S	Bend	trans	-80.7	-9.7	168.7	0	0	0	0	0	114.1	R729	G655-R729 WeakPolarHBondContact O-CA 3.32Å; G655-R729 WeakPolarHBondContact O-CD 3.24Å; G655-R729 PolarHBondContact O-NH1 3.25Å
656	D	84	Confident	91.4	Very high	19 Å²	19	24.8 Å²	24.8	10%	0.102	13%	0.132	C	C	.	.	S	Bend	trans	-71.5	163	-177.4	-164.7	2.8	0	0	0	112.9	K395 T654 T660 R729	K395-D656 HydrophobicContact CD-CB 4.26Å; K395-D656 VanDerWaalsContact CD-OD2 3.32Å; K395-D656 WeakPolarHBondContact CD-OD2 3.43Å; K395-D656 VanDerWaalsContact CE-OD2 3.3Å; K395-D656 WeakPolarHBondContact CE-OD2 3.28Å; K395-D656 IonicContact NZ-OD2 3.82Å; K395-D656 PolarHBondContact NZ-OD2 3.24Å; T654-D656 VanDerWaalsContact C-N 3.33Å; T654-D656 HydrophobicContact CG2-CB 4.03Å; T654-D656 PolarHBondContact OG1-N 2.93Å; D656-T660 WeakPolarHBondContact OD2-CB 3.06Å; D656-T660 VanDerWaalsContact OD2-CG2 3.25Å; D656-T660 WeakPolarHBondContact OD2-CG2 3.32Å; D656-R729 PolarHBondContact O-N 3.4Å
657	H	83	Confident	91.2	Very high	99 Å²	99	28.2 Å²	28.2	46%	0.458	16%	0.156	S	C	.	.			trans	-63.2	141.9	179.5	-167.8	-102.5	0	0	0	112.2	I659 T660 A661	H657-I659 VanDerWaalsContact C-N 3.28Å; H657-I659 PolarHBondContact O-N 3.12Å; H657-I659 VanDerWaalsContact O-N 3.12Å; H657-T660 PolarHBondContact O-N 3.32Å; H657-A661 PolarHBondContact O-N 2.99Å
658	P	87.7	Confident	91.2	Very high	27 Å²	27	26.4 Å²	26.4	18%	0.175	14%	0.137	C	C	.	.	H	α-helix	trans	-53.5	-36.7	-174.9	-31.3	36.7	0	0	0	116	Q662 V701 A728	P658-Q662 WeakPolarHBondContact O-CB 3.24Å; P658-Q662 PolarHBondContact O-N 3.39Å; P658-V701 HydrophobicContact CB-CG1 4.1Å; P658-A728 HydrophobicContact CB-CB 4.15Å; P658-A728 HydrophobicContact CG-CB 3.94Å
659	I	87.3	Confident	91	Very high	81 Å²	81	27.5 Å²	27.5	42%	0.415	15%	0.149	S	C	.	.	H	α-helix	trans	-65.4	-49.8	-178.2	-56.2	175.7	0	0	0	110.2	H657 Q662 A663	H657-I659 VanDerWaalsContact C-N 3.28Å; H657-I659 PolarHBondContact O-N 3.12Å; H657-I659 VanDerWaalsContact O-N 3.12Å; I659-Q662 PolarHBondContact O-N 2.85Å; I659-A663 WeakPolarHBondContact O-CB 3.47Å; I659-A663 PolarHBondContact O-N 3.42Å
660	T	87	Confident	91	Very high	27 Å²	27	25.2 Å²	25.2	17%	0.166	14%	0.139	C	C	.	.	H	α-helix	trans	-65	-42.1	177.9	-43.2	0	0	0	0	111.2	D656 H657 A663 I664	D656-T660 WeakPolarHBondContact OD2-CB 3.06Å; D656-T660 VanDerWaalsContact OD2-CG2 3.25Å; D656-T660 WeakPolarHBondContact OD2-CG2 3.32Å; H657-T660 PolarHBondContact O-N 3.32Å; T660-A663 PolarHBondContact O-N 2.99Å; T660-I664 WeakPolarHBondContact O-CG1 3.12Å; T660-I664 PolarHBondContact O-N 2.94Å
661	A	90.5	Very high	90.9	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.1	-45.3	175.3	0	0	0	0	0	112.1	M652 T654 H657 A665 V726 A728	M652-A661 HydrophobicContact SD-CB 4.03Å; T654-A661 HydrophobicContact CG2-CB 3.73Å; H657-A661 PolarHBondContact O-N 2.99Å; A661-A665 WeakPolarHBondContact O-CB 3.28Å; A661-A665 PolarHBondContact O-N 3.29Å; A661-V726 HydrophobicContact CB-CG1 3.83Å; A661-A728 HydrophobicContact CB-CB 3.86Å
662	Q	91.7	Very high	90.6	Very high	33 Å²	33	26.2 Å²	26.2	15%	0.154	15%	0.146	C	C	.	.	H	α-helix	trans	-65.2	-40.8	177.5	-175.2	-179.6	5.7	0	0	112	P658 I659 A665 R666 I671 V701	P658-Q662 WeakPolarHBondContact O-CB 3.24Å; P658-Q662 PolarHBondContact O-N 3.39Å; I659-Q662 PolarHBondContact O-N 2.85Å; Q662-A665 PolarHBondContact O-N 3.5Å; Q662-R666 PolarHBondContact O-N 2.92Å; Q662-R666 VanDerWaalsContact O-N 3.08Å; Q662-I671 HydrophobicContact CG-CD1 4.12Å; Q662-V701 HydrophobicContact CB-CG2 4.15Å; Q662-V701 HydrophobicContact CG-CG2 4Å
663	A	89.6	Confident	90	Very high	12 Å²	12	35.7 Å²	35.7	10%	0.099	19%	0.191	C	C	.	.	H	α-helix	trans	-63.8	-53.9	177.4	0	0	0	0	0	111.6	L585 I659 T660 A665 R666 S667	L585-A663 VanDerWaalsContact C-CB 3.5Å; L585-A663 WeakPolarHBondContact O-CB 3.33Å; I659-A663 WeakPolarHBondContact O-CB 3.47Å; I659-A663 PolarHBondContact O-N 3.42Å; T660-A663 PolarHBondContact O-N 2.99Å; A663-A665 VanDerWaalsContact C-N 3.28Å; A663-A665 PolarHBondContact O-N 2.9Å; A663-R666 WeakPolarHBondContact O-CB 3.31Å; A663-R666 PolarHBondContact O-N 3Å; A663-S667 PolarHBondContact O-N 3.46Å; A663-S667 PolarHBondContact O-OG 3.28Å
664	I	92	Very high	89.4	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-59.6	-39.7	176.6	-63.5	-64.3	0	0	0	110.8	K395 T400 I629 D630 M652 T660 R666 S667 V668	K395-I664 HydrophobicContact CD-CB 4.47Å; K395-I664 HydrophobicContact CD-CG1 4.26Å; K395-I664 HydrophobicContact CG-CB 4.3Å; K395-I664 HydrophobicContact CG-CG2 3.94Å; T400-I664 HydrophobicContact CG2-CD1 4.26Å; T400-I664 HydrophobicContact CG2-CG1 4.4Å; T400-I664 HydrophobicContact CG2-CG2 3.93Å; I629-I664 HydrophobicContact CD1-CD1 3.7Å; I629-I664 HydrophobicContact CD1-CG1 4.33Å; I629-I664 HydrophobicContact CG1-CD1 4.23Å; D630-I664 WeakPolarHBondContact O-CD1 3.49Å; M652-I664 HydrophobicContact CE-CB 4.28Å; M652-I664 HydrophobicContact CE-CG2 3.9Å; T660-I664 WeakPolarHBondContact O-CG1 3.12Å; T660-I664 PolarHBondContact O-N 2.94Å; I664-R666 VanDerWaalsContact C-N 3.28Å; I664-R666 PolarHBondContact O-N 3.31Å; I664-S667 PolarHBondContact O-N 3.39Å; I664-S667 VanDerWaalsContact O-N 3.13Å; I664-V668 HydrophobicContact CG2-CG1 4.24Å; I664-V668 WeakPolarHBondContact O-CG2 3.42Å; I664-V668 PolarHBondContact O-N 2.82Å
665	A	93.8	Very high	89.3	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.3	-31.5	177.3	0	0	0	0	0	113.6	M652 A661 Q662 A663 G669 I670 I671 V726	M652-A665 HydrophobicContact CE-CB 3.82Å; M652-A665 HydrophobicContact SD-CB 4.26Å; A661-A665 WeakPolarHBondContact O-CB 3.28Å; A661-A665 PolarHBondContact O-N 3.29Å; Q662-A665 PolarHBondContact O-N 3.5Å; A663-A665 VanDerWaalsContact C-N 3.28Å; A663-A665 PolarHBondContact O-N 2.9Å; A665-G669 PolarHBondContact O-N 3.42Å; A665-I670 HydrophobicContact CB-CB 4.27Å; A665-I670 HydrophobicContact CB-CG2 4.4Å; A665-I670 PolarHBondContact O-N 3.41Å; A665-I671 HydrophobicContact CB-CD1 4.03Å; A665-I671 HydrophobicContact CB-CG1 4.09Å; A665-I671 PolarHBondContact O-N 3.22Å; A665-V726 HydrophobicContact CB-CG2 3.49Å; A665-V726 VanDerWaalsContact CB-CG2 3.49Å
666	R	92.2	Very high	89.4	Confident	108 Å²	108	42.8 Å²	42.8	41%	0.408	25%	0.246	S	C	.	.	H	α-helix	trans	-71	-49.1	168.8	-73.1	176.9	175	164.9	1.9	110.6	Q662 A663 I664 V668 G669 I671 D680	Q662-R666 PolarHBondContact O-N 2.92Å; Q662-R666 VanDerWaalsContact O-N 3.08Å; A663-R666 WeakPolarHBondContact O-CB 3.31Å; A663-R666 PolarHBondContact O-N 3Å; I664-R666 VanDerWaalsContact C-N 3.28Å; I664-R666 PolarHBondContact O-N 3.31Å; R666-V668 VanDerWaalsContact C-N 3.3Å; R666-V668 PolarHBondContact O-N 2.88Å; R666-G669 PolarHBondContact O-N 2.92Å; R666-I671 HydrophobicContact CG-CB 3.89Å; R666-I671 HydrophobicContact CG-CD1 4.49Å; R666-I671 HydrophobicContact CG-CG2 3.87Å; R666-D680 IonicContact CZ-OD1 2.64Å; R666-D680 IonicContact NH2-OD1 3.27Å; R666-D680 PolarHBondContact NH2-OD1 2.93Å; R666-D680 IonicContact NH2-OD2 3.78Å; R666-D680 PolarHBondContact NH2-OD2 3.27Å
667	S	90	Very high	89.6	Confident	73 Å²	73	41.9 Å²	41.9	51%	0.51	24%	0.241	S	C	.	.	H	α-helix	trans	-58.7	-34.2	-179.6	-54.3	0	0	0	0	114.4	A663 I664	A663-S667 PolarHBondContact O-N 3.46Å; A663-S667 PolarHBondContact O-OG 3.28Å; I664-S667 PolarHBondContact O-N 3.39Å; I664-S667 VanDerWaalsContact O-N 3.13Å
668	V	92.9	Very high	89.7	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-2.1	176.5	-55.5	0	0	0	0	114.1	P632 V636 V640 I664 R666 I670	P632-V668 HydrophobicContact CB-CG1 3.75Å; V636-V668 HydrophobicContact CG1-CB 3.86Å; V636-V668 HydrophobicContact CG1-CG1 3.58Å; V640-V668 WeakPolarHBondContact CB-O 3.4Å; V640-V668 VanDerWaalsContact CG1-O 3.3Å; V640-V668 WeakPolarHBondContact CG1-O 3.46Å; I664-V668 HydrophobicContact CG2-CG1 4.24Å; I664-V668 WeakPolarHBondContact O-CG2 3.42Å; I664-V668 PolarHBondContact O-N 2.82Å; R666-V668 VanDerWaalsContact C-N 3.3Å; R666-V668 PolarHBondContact O-N 2.88Å; V668-I670 HydrophobicContact CG2-CB 4.23Å; V668-I670 HydrophobicContact CG2-CD1 3.68Å; V668-I670 HydrophobicContact CG2-CG1 3.75Å
669	G	92.9	Very high	89.6	Confident	27 Å²	27	38.9 Å²	38.9	28%	0.278	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	22.7	-179.8	0	0	0	0	0	115.5	R644 A665 R666	R644-G669 WeakPolarHBondContact CD-O 3.38Å; R644-G669 PolarHBondContact NH1-O 2.88Å; A665-G669 PolarHBondContact O-N 3.42Å; R666-G669 PolarHBondContact O-N 2.92Å
670	I	94.7	Very high	89.5	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.01	22%	0.215	C	C	.	.	S	Bend	trans	-71.4	-49.1	166.7	-74	169.6	0	0	0	109.2	L399 V640 V650 M652 A665 V668 E724	L399-I670 HydrophobicContact CD1-CD1 3.95Å; V640-I670 HydrophobicContact CG1-CG1 4.05Å; V650-I670 HydrophobicContact CB-CG1 4.18Å; V650-I670 HydrophobicContact CG1-CD1 3.8Å; V650-I670 HydrophobicContact CG1-CG1 3.72Å; M652-I670 HydrophobicContact CB-CD1 4.14Å; M652-I670 HydrophobicContact CE-CD1 4.27Å; A665-I670 HydrophobicContact CB-CB 4.27Å; A665-I670 HydrophobicContact CB-CG2 4.4Å; A665-I670 PolarHBondContact O-N 3.41Å; V668-I670 HydrophobicContact CG2-CB 4.23Å; V668-I670 HydrophobicContact CG2-CD1 3.68Å; V668-I670 HydrophobicContact CG2-CG1 3.75Å; I670-E724 VanDerWaalsContact O-CG 3.32Å; I670-E724 WeakPolarHBondContact O-CG 3.41Å
671	I	94.1	Very high	89.5	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	21%	0.208	C	C	.	.	S	Bend	trans	-89.1	124.8	163.9	-61.5	175.3	0	0	0	106.8	Q662 A665 R666 A699 E724 V726	Q662-I671 HydrophobicContact CG-CD1 4.12Å; A665-I671 HydrophobicContact CB-CD1 4.03Å; A665-I671 HydrophobicContact CB-CG1 4.09Å; A665-I671 PolarHBondContact O-N 3.22Å; R666-I671 HydrophobicContact CG-CB 3.89Å; R666-I671 HydrophobicContact CG-CD1 4.49Å; R666-I671 HydrophobicContact CG-CG2 3.87Å; I671-A699 HydrophobicContact CG1-CB 4.34Å; I671-A699 HydrophobicContact CG2-CB 4.15Å; I671-E724 WeakPolarHBondContact CA-OE2 3.43Å; I671-V726 HydrophobicContact CD1-CG2 3.91Å; I671-V726 HydrophobicContact CG1-CG2 4.22Å
672	S	91.5	Very high	89.4	Confident	27 Å²	27	36.2 Å²	36.2	19%	0.189	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-75.8	148.8	-179.3	-40.7	0	0	0	0	111.1	R644 G674 S675 E724	R644-S672 PolarHBondContact NH1-OG 3.47Å; R644-S672 PolarHBondContact NH2-OG 3.36Å; R644-S672 VanDerWaalsContact NH2-OG 3.15Å; S672-G674 PolarHBondContact O-N 3.33Å; S672-S675 WeakPolarHBondContact O-CB 3.35Å; S672-S675 PolarHBondContact O-N 2.93Å; S672-E724 PolarHBondContact N-OE2 3.26Å; S672-E724 VanDerWaalsContact OG-CD 3.25Å; S672-E724 PolarHBondContact OG-OE1 2.86Å; S672-E724 PolarHBondContact OG-OE2 3.37Å
673	E	83.7	Confident	89	Confident	199 Å²	199	41.9 Å²	41.9	93%	0.93	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	130.3	167.3	-65.8	-176.1	172	0	0	110.6	S675	E673-S675 VanDerWaalsContact C-N 3.3Å; E673-S675 PolarHBondContact O-N 3.13Å
674	G	82.9	Confident	89	Confident	82 Å²	82	47.9 Å²	47.9	85%	0.845	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	1.9	-175.3	0	0	0	0	0	116.2	S672	S672-G674 PolarHBondContact O-N 3.33Å
675	S	88.2	Confident	88.8	Confident	16 Å²	16	52 Å²	52	11%	0.112	29%	0.285	C	S	.	.			trans	-86.3	115.7	169.9	-65.4	0	0	0	0	110.8	S672 E673 E724	S672-S675 WeakPolarHBondContact O-CB 3.35Å; S672-S675 PolarHBondContact O-N 2.93Å; E673-S675 VanDerWaalsContact C-N 3.3Å; E673-S675 PolarHBondContact O-N 3.13Å; S675-E724 WeakPolarHBondContact CB-OE2 3.4Å; S675-E724 PolarHBondContact OG-OE2 3.49Å
676	E	87.9	Confident	88.4	Confident	64 Å²	64	55.3 Å²	55.3	30%	0.299	32%	0.319	S	S	.	.			trans	-86	141.1	-179.7	-55.7	-172	128.3	0	0	111.6	D680 I681 R684 A699	E676-D680 HydrophobicContact CB-CB 3.94Å; E676-D680 HydrophobicContact CG-CB 4.47Å; E676-I681 HydrophobicContact CB-CD1 4.33Å; E676-I681 HydrophobicContact CB-CG1 3.78Å; E676-I681 WeakPolarHBondContact OE2-CG1 3.28Å; E676-R684 WeakPolarHBondContact OE1-CD 3.42Å; E676-R684 IonicContact OE1-CZ 3.93Å; E676-R684 IonicContact OE1-NE 3.66Å; E676-R684 PolarHBondContact OE1-NE 3.38Å; E676-R684 IonicContact OE1-NH2 3.64Å; E676-R684 IonicContact OE2-CZ 2.72Å; E676-R684 IonicContact OE2-NE 3.71Å; E676-R684 PolarHBondContact OE2-NE 3.41Å; E676-R684 IonicContact OE2-NH2 2.75Å; E676-R684 PolarHBondContact OE2-NH2 2.77Å; E676-A699 PolarHBondContact O-N 3.42Å
677	T	88.2	Confident	88.2	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	32%	0.315	C	S	.	.			trans	-84.1	172.6	164.9	80.3	0	0	0	0	111.5	E679 D680 I681 A699 V701	T677-E679 VanDerWaalsContact CB-OE2 3.22Å; T677-E679 WeakPolarHBondContact CB-OE2 3.47Å; T677-E679 PolarHBondContact O-N 3.2Å; T677-E679 PolarHBondContact OG1-N 3.07Å; T677-E679 PolarHBondContact OG1-OE2 3.12Å; T677-D680 PolarHBondContact N-OD2 3.44Å; T677-D680 PolarHBondContact O-N 2.93Å; T677-D680 PolarHBondContact OG1-N 3.45Å; T677-D680 PolarHBondContact OG1-OD2 3.27Å; T677-I681 WeakPolarHBondContact O-CG1 3.16Å; T677-I681 PolarHBondContact O-N 3.11Å; T677-A699 WeakPolarHBondContact CA-O 3.28Å; T677-A699 HydrophobicContact CG2-CB 4.01Å; T677-V701 HydrophobicContact CG2-CG2 4.05Å
678	V	85.4	Confident	88	Confident	8 Å²	8	53.4 Å²	53.4	5%	0.048	32%	0.315	C	S	.	.	H	α-helix	trans	-59.6	-35.4	174	-171.4	0	0	0	0	110.9	A682 K689 V692 A697 I700	V678-A682 VanDerWaalsContact O-CB 3.3Å; V678-A682 WeakPolarHBondContact O-CB 3.26Å; V678-A682 PolarHBondContact O-N 3.31Å; V678-K689 HydrophobicContact CG1-CG 4.01Å; V678-V692 HydrophobicContact CG1-CB 3.81Å; V678-V692 HydrophobicContact CG1-CG1 3.81Å; V678-V692 HydrophobicContact CG1-CG2 4.44Å; V678-A697 HydrophobicContact CB-CB 4.44Å; V678-A697 HydrophobicContact CG2-CB 3.61Å; V678-I700 HydrophobicContact CG2-CG1 4.46Å
679	E	84.9	Confident	87.5	Confident	55 Å²	55	58.2 Å²	58.2	26%	0.257	34%	0.336	S	S	.	.	H	α-helix	trans	-69.3	-44.4	175.1	-59	69.3	-152.5	0	0	112.2	T677 I681 A682 L683 K689	T677-E679 VanDerWaalsContact CB-OE2 3.22Å; T677-E679 WeakPolarHBondContact CB-OE2 3.47Å; T677-E679 PolarHBondContact O-N 3.2Å; T677-E679 PolarHBondContact OG1-N 3.07Å; T677-E679 PolarHBondContact OG1-OE2 3.12Å; E679-I681 VanDerWaalsContact C-N 3.33Å; E679-I681 PolarHBondContact O-N 3.14Å; E679-A682 PolarHBondContact O-N 2.98Å; E679-L683 WeakPolarHBondContact O-CB 3.2Å; E679-L683 PolarHBondContact O-N 3.03Å; E679-K689 HydrophobicContact CG-CD 4.39Å; E679-K689 WeakPolarHBondContact OE1-CE 3.42Å; E679-K689 IonicContact OE1-NZ 2.68Å; E679-K689 PolarHBondContact OE1-NZ 3.26Å
680	D	86.1	Confident	87	Confident	39 Å²	39	66.3 Å²	66.3	21%	0.209	36%	0.364	C	S	.	.	H	α-helix	trans	-60.2	-44.7	177	-64.7	-46.1	0	0	0	110.5	R666 E676 T677 L683 R684	R666-D680 IonicContact CZ-OD1 2.64Å; R666-D680 IonicContact NH2-OD1 3.27Å; R666-D680 PolarHBondContact NH2-OD1 2.93Å; R666-D680 IonicContact NH2-OD2 3.78Å; R666-D680 PolarHBondContact NH2-OD2 3.27Å; E676-D680 HydrophobicContact CB-CB 3.94Å; E676-D680 HydrophobicContact CG-CB 4.47Å; T677-D680 PolarHBondContact N-OD2 3.44Å; T677-D680 PolarHBondContact O-N 2.93Å; T677-D680 PolarHBondContact OG1-N 3.45Å; T677-D680 PolarHBondContact OG1-OD2 3.27Å; D680-L683 PolarHBondContact O-N 3.22Å; D680-R684 VanDerWaalsContact O-CB 3.29Å; D680-R684 WeakPolarHBondContact O-CB 3.42Å; D680-R684 PolarHBondContact O-N 3.26Å
681	I	86.9	Confident	86.4	Confident	3 Å²	3	71.5 Å²	71.5	2%	0.015	39%	0.392	C	S	.	.	H	α-helix	trans	-63.8	-44.4	177	-64.4	169.2	0	0	0	111	E676 T677 E679 L683 R684 L685 V692 Q696 A697	E676-I681 HydrophobicContact CB-CD1 4.33Å; E676-I681 HydrophobicContact CB-CG1 3.78Å; E676-I681 WeakPolarHBondContact OE2-CG1 3.28Å; T677-I681 WeakPolarHBondContact O-CG1 3.16Å; T677-I681 PolarHBondContact O-N 3.11Å; E679-I681 VanDerWaalsContact C-N 3.33Å; E679-I681 PolarHBondContact O-N 3.14Å; I681-L683 PolarHBondContact O-N 2.7Å; I681-R684 PolarHBondContact O-N 2.68Å; I681-L685 HydrophobicContact CG2-CD1 3.68Å; I681-L685 HydrophobicContact CG2-CG 4.32Å; I681-L685 WeakPolarHBondContact O-CB 3.37Å; I681-L685 WeakPolarHBondContact O-CG 3.34Å; I681-L685 PolarHBondContact O-N 3.05Å; I681-V692 HydrophobicContact CB-CG1 4.05Å; I681-V692 HydrophobicContact CD1-CG1 4.31Å; I681-V692 HydrophobicContact CG2-CG1 3.73Å; I681-V692 HydrophobicContact CG2-CG2 4.09Å; I681-Q696 HydrophobicContact CD1-CB 4.13Å; I681-A697 HydrophobicContact CD1-CB 3.93Å
682	A	86.9	Confident	85.9	Confident	11 Å²	11	71.9 Å²	71.9	9%	0.091	39%	0.394	C	S	.	.	H	α-helix	trans	-58.5	-47.4	176.9	0	0	0	0	0	111.5	V678 E679 G686 I687 V692	V678-A682 VanDerWaalsContact O-CB 3.3Å; V678-A682 WeakPolarHBondContact O-CB 3.26Å; V678-A682 PolarHBondContact O-N 3.31Å; E679-A682 PolarHBondContact O-N 2.98Å; A682-G686 WeakPolarHBondContact O-CA 3.37Å; A682-G686 PolarHBondContact O-N 3.5Å; A682-I687 WeakPolarHBondContact CB-O 3.43Å; A682-I687 PolarHBondContact O-N 3.38Å; A682-V692 HydrophobicContact CB-CG2 3.9Å
683	L	85.1	Confident	85.5	Confident	152 Å²	152	74.2 Å²	74.2	80%	0.796	40%	0.404	S	S	*	.	H	α-helix	trans	-66.2	-44.3	179.2	-170.6	151.9	0	0	0	111.6	E679 D680 I681 L685 G686	E679-L683 WeakPolarHBondContact O-CB 3.2Å; E679-L683 PolarHBondContact O-N 3.03Å; D680-L683 PolarHBondContact O-N 3.22Å; I681-L683 PolarHBondContact O-N 2.7Å; L683-L685 PolarHBondContact O-N 3.15Å; L683-G686 PolarHBondContact O-N 2.88Å
684	R	88	Confident	85.3	Confident	137 Å²	137	67.8 Å²	67.8	52%	0.517	38%	0.38	S	S	.	.	H	α-helix	trans	-64.5	-37.7	178.1	-179.6	174.6	56.2	67.3	-3.2	113.2	E676 D680 I681	E676-R684 WeakPolarHBondContact OE1-CD 3.42Å; E676-R684 IonicContact OE1-CZ 3.93Å; E676-R684 IonicContact OE1-NE 3.66Å; E676-R684 PolarHBondContact OE1-NE 3.38Å; E676-R684 IonicContact OE1-NH2 3.64Å; E676-R684 IonicContact OE2-CZ 2.72Å; E676-R684 IonicContact OE2-NE 3.71Å; E676-R684 PolarHBondContact OE2-NE 3.41Å; E676-R684 IonicContact OE2-NH2 2.75Å; E676-R684 PolarHBondContact OE2-NH2 2.77Å; D680-R684 VanDerWaalsContact O-CB 3.29Å; D680-R684 WeakPolarHBondContact O-CB 3.42Å; D680-R684 PolarHBondContact O-N 3.26Å; I681-R684 PolarHBondContact O-N 2.68Å
685	L	88.5	Confident	85.2	Confident	87 Å²	87	73.2 Å²	73.2	46%	0.455	38%	0.375	S	S	.	.	H	α-helix	trans	-88	-11.9	179.8	-67.6	178.1	0	0	0	113.5	I681 L683 I687	I681-L685 HydrophobicContact CG2-CD1 3.68Å; I681-L685 HydrophobicContact CG2-CG 4.32Å; I681-L685 WeakPolarHBondContact O-CB 3.37Å; I681-L685 WeakPolarHBondContact O-CG 3.34Å; I681-L685 PolarHBondContact O-N 3.05Å; L683-L685 PolarHBondContact O-N 3.15Å; L685-I687 VanDerWaalsContact C-N 3.28Å; L685-I687 HydrophobicContact CB-CD1 4.09Å; L685-I687 HydrophobicContact CB-CG1 3.94Å; L685-I687 HydrophobicContact CB-CG2 4.27Å; L685-I687 HydrophobicContact CD1-CD1 3.84Å; L685-I687 PolarHBondContact O-N 3.46Å
686	G	85.4	Confident	85	Confident	71 Å²	71	78.5 Å²	78.5	73%	0.732	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	25.7	-174.3	0	0	0	0	0	113.8	A682 L683	A682-G686 WeakPolarHBondContact O-CA 3.37Å; A682-G686 PolarHBondContact O-N 3.5Å; L683-G686 PolarHBondContact O-N 2.88Å
687	I	88.8	Confident	84.9	Confident	61 Å²	61	75.6 Å²	75.6	31%	0.313	38%	0.384	S	S	.	.			trans	-110.4	153.2	-178.4	67.1	-178.5	0	0	0	111.5	A682 L685 D691 V692	A682-I687 WeakPolarHBondContact CB-O 3.43Å; A682-I687 PolarHBondContact O-N 3.38Å; L685-I687 VanDerWaalsContact C-N 3.28Å; L685-I687 HydrophobicContact CB-CD1 4.09Å; L685-I687 HydrophobicContact CB-CG1 3.94Å; L685-I687 HydrophobicContact CB-CG2 4.27Å; L685-I687 HydrophobicContact CD1-CD1 3.84Å; L685-I687 PolarHBondContact O-N 3.46Å; I687-D691 HydrophobicContact CD1-CB 4.49Å; I687-V692 HydrophobicContact CD1-CG2 3.9Å; I687-V692 HydrophobicContact CG1-CG2 4.02Å
688	P	85.3	Confident	85	Confident	80 Å²	80	81.8 Å²	81.8	52%	0.519	41%	0.408	S	S	.	.			trans	-58.1	142.6	173.1	-23.7	33.8	0	0	0	112.8	K690 D691	P688-K690 PolarHBondContact O-N 3.41Å; P688-D691 WeakPolarHBondContact CD-OD2 3.5Å; P688-D691 WeakPolarHBondContact CG-OD2 3.44Å; P688-D691 PolarHBondContact O-N 2.99Å
689	K	81.6	Confident	85.4	Confident	101 Å²	101	81.4 Å²	81.4	44%	0.439	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-27.9	175.5	175.9	173.9	171.2	171.2	0	114	V678 E679	V678-K689 HydrophobicContact CG1-CG 4.01Å; E679-K689 HydrophobicContact CG-CD 4.39Å; E679-K689 WeakPolarHBondContact OE1-CE 3.42Å; E679-K689 IonicContact OE1-NZ 2.68Å; E679-K689 PolarHBondContact OE1-NZ 3.26Å
690	K	82.2	Confident	85.7	Confident	196 Å²	196	79.7 Å²	79.7	85%	0.852	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-22.1	-179.6	-63.4	-177.1	179.7	-180	0	114.3	P688	P688-K690 PolarHBondContact O-N 3.41Å
691	D	83.7	Confident	86	Confident	112 Å²	112	78.3 Å²	78.3	60%	0.599	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-7	-176.1	-58.5	-33.2	0	0	0	112.4	I687 P688	I687-D691 HydrophobicContact CD1-CB 4.49Å; P688-D691 WeakPolarHBondContact CD-OD2 3.5Å; P688-D691 WeakPolarHBondContact CG-OD2 3.44Å; P688-D691 PolarHBondContact O-N 2.99Å
692	V	83	Confident	86.3	Confident	9 Å²	9	78.4 Å²	78.4	6%	0.055	39%	0.392	C	S	.	.	S	Bend	trans	-78	125.1	171.7	-178.3	0	0	0	0	109.2	V678 I681 A682 I687 P694	V678-V692 HydrophobicContact CG1-CB 3.81Å; V678-V692 HydrophobicContact CG1-CG1 3.81Å; V678-V692 HydrophobicContact CG1-CG2 4.44Å; I681-V692 HydrophobicContact CB-CG1 4.05Å; I681-V692 HydrophobicContact CD1-CG1 4.31Å; I681-V692 HydrophobicContact CG2-CG1 3.73Å; I681-V692 HydrophobicContact CG2-CG2 4.09Å; A682-V692 HydrophobicContact CB-CG2 3.9Å; I687-V692 HydrophobicContact CD1-CG2 3.9Å; I687-V692 HydrophobicContact CG1-CG2 4.02Å; V692-P694 VanDerWaalsContact O-CD 3.24Å; V692-P694 WeakPolarHBondContact O-CD 3.31Å
693	D	82.3	Confident	86.5	Confident	75 Å²	75	80.8 Å²	80.8	40%	0.401	40%	0.401	S	S	.	.			trans	-67.1	115.9	168	177.3	-0.1	0	0	0	109	R695 Q696	D693-R695 PolarHBondContact O-N 3.41Å; D693-R695 WeakPolarHBondContact OD1-CB 3.26Å; D693-R695 WeakPolarHBondContact OD1-CG 3.31Å; D693-R695 PolarHBondContact OD1-N 2.91Å; D693-Q696 HydrophobicContact CB-CG 4.16Å; D693-Q696 WeakPolarHBondContact O-CB 3.46Å; D693-Q696 PolarHBondContact O-N 3.05Å
694	P	79.9	Confident	86.6	Confident	65 Å²	65	73.8 Å²	73.8	42%	0.422	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-56.6	-25.9	-177.9	-25.7	35.8	0	0	0	113.1	V692 Q696 A697 H722	V692-P694 VanDerWaalsContact O-CD 3.24Å; V692-P694 WeakPolarHBondContact O-CD 3.31Å; P694-Q696 PolarHBondContact O-N 3.11Å; P694-A697 PolarHBondContact O-N 3.07Å; P694-H722 PolarHBondContact O-CE1 3.49Å
695	R	81.4	Confident	86.5	Confident	196 Å²	196	70 Å²	70	74%	0.74	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-67.4	-15.3	179.4	-63	175.3	171.6	-174.2	-2.4	114	D693	D693-R695 PolarHBondContact O-N 3.41Å; D693-R695 WeakPolarHBondContact OD1-CB 3.26Å; D693-R695 WeakPolarHBondContact OD1-CG 3.31Å; D693-R695 PolarHBondContact OD1-N 2.91Å
696	Q	83.9	Confident	86.5	Confident	126 Å²	126	69.1 Å²	69.1	59%	0.589	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-78.4	-26.6	173	-60.7	-179.2	18.5	0	0	111.7	I681 D693 P694	I681-Q696 HydrophobicContact CD1-CB 4.13Å; D693-Q696 HydrophobicContact CB-CG 4.16Å; D693-Q696 WeakPolarHBondContact O-CB 3.46Å; D693-Q696 PolarHBondContact O-N 3.05Å; P694-Q696 PolarHBondContact O-N 3.11Å
697	A	86.4	Confident	86.7	Confident	3 Å²	3	66.3 Å²	66.3	3%	0.025	32%	0.323	C	S	.	.			trans	-86.2	111.6	179.5	0	0	0	0	0	110.9	V678 I681 P694 A699 H722	V678-A697 HydrophobicContact CB-CB 4.44Å; V678-A697 HydrophobicContact CG2-CB 3.61Å; I681-A697 HydrophobicContact CD1-CB 3.93Å; P694-A697 PolarHBondContact O-N 3.07Å; A697-A699 VanDerWaalsContact C-N 3.29Å; A697-A699 WeakPolarHBondContact CB-O 3.31Å; A697-H722 PolarHBondContact O-CE1 3.23Å; A697-H722 PolarHBondContact O-ND1 2.88Å
698	R	89.6	Confident	86.4	Confident	130 Å²	130	69.1 Å²	69.1	49%	0.491	33%	0.333	S	S	.	.	S	Bend	trans	-68.4	-32.5	174.1	176.5	173.9	164.2	159.8	-6.4	112	A723 E724	R698-A723 HydrophobicContact CG-CB 4.25Å; R698-A723 PolarHBondContact O-N 3.47Å; R698-E724 IonicContact CZ-OE1 2.68Å; R698-E724 IonicContact NE-OE1 3.11Å; R698-E724 PolarHBondContact NE-OE1 3.2Å; R698-E724 IonicContact NH2-OE1 3.44Å; R698-E724 PolarHBondContact NH2-OE1 3.11Å; R698-E724 PolarHBondContact O-N 2.99Å
699	A	92.7	Very high	86.5	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	151.3	176.7	0	0	0	0	0	111.4	I671 E676 T677 A697 E724	I671-A699 HydrophobicContact CG1-CB 4.34Å; I671-A699 HydrophobicContact CG2-CB 4.15Å; E676-A699 PolarHBondContact O-N 3.42Å; T677-A699 WeakPolarHBondContact CA-O 3.28Å; T677-A699 HydrophobicContact CG2-CB 4.01Å; A697-A699 VanDerWaalsContact C-N 3.29Å; A697-A699 WeakPolarHBondContact CB-O 3.31Å; A699-E724 CarbonylContact C-O 3.53Å; A699-E724 VanDerWaalsContact CA-O 3.26Å; A699-E724 WeakPolarHBondContact CA-O 3.33Å; A699-E724 HydrophobicContact CB-CB 4.03Å
700	I	92.8	Very high	86.7	Confident	19 Å²	19	69.7 Å²	69.7	10%	0.097	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	139.7	172.5	-166.5	169.8	0	0	0	111.2	V678 I702 I718 H722 E724 I725 V726	V678-I700 HydrophobicContact CG2-CG1 4.46Å; I700-I702 HydrophobicContact CD1-CD1 4.2Å; I700-I702 HydrophobicContact CD1-CG1 4.17Å; I700-I702 HydrophobicContact CG1-CD1 4.42Å; I700-I702 HydrophobicContact CG1-CG1 4.05Å; I700-I702 HydrophobicContact CG2-CD1 4.33Å; I700-I718 HydrophobicContact CG2-CG2 4.4Å; I700-H722 HydrophobicContact CB-CB 4.46Å; I700-H722 HydrophobicContact CG2-CB 3.75Å; I700-E724 PolarHBondContact N-O 3Å; I700-I725 HydrophobicContact CG2-CB 4.39Å; I700-I725 HydrophobicContact CG2-CG1 4.07Å; I700-I725 HydrophobicContact CG2-CG2 4.08Å; I700-V726 PolarHBondContact O-N 3.39Å
701	V	92.8	Very high	87	Confident	11 Å²	11	65.8 Å²	65.8	7%	0.067	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127.7	171.7	-175.1	0	0	0	0	108.1	P658 Q662 T677 V726	P658-V701 HydrophobicContact CB-CG1 4.1Å; Q662-V701 HydrophobicContact CB-CG2 4.15Å; Q662-V701 HydrophobicContact CG-CG2 4Å; T677-V701 HydrophobicContact CG2-CG2 4.05Å; V701-V726 CarbonylContact C-O 3.58Å; V701-V726 WeakPolarHBondContact CA-O 3.49Å; V701-V726 HydrophobicContact CG1-CB 4.49Å; V701-V726 HydrophobicContact CG1-CG1 4.42Å; V701-V726 HydrophobicContact CG2-CB 4.29Å
702	I	93.1	Very high	87.2	Confident	5 Å²	5	63.4 Å²	63.4	3%	0.026	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.2	-176.7	-63.3	170.1	0	0	0	108.9	I700 D706 L707 M710 I718 V726 F727 A728	I700-I702 HydrophobicContact CD1-CD1 4.2Å; I700-I702 HydrophobicContact CD1-CG1 4.17Å; I700-I702 HydrophobicContact CG1-CD1 4.42Å; I700-I702 HydrophobicContact CG1-CG1 4.05Å; I700-I702 HydrophobicContact CG2-CD1 4.33Å; I702-D706 HydrophobicContact CG2-CB 4.49Å; I702-L707 HydrophobicContact CG2-CB 4.23Å; I702-M710 HydrophobicContact CG2-CE 4.2Å; I702-I718 HydrophobicContact CD1-CD1 3.95Å; I702-I718 HydrophobicContact CD1-CG2 3.51Å; I702-V726 PolarHBondContact N-O 3.13Å; I702-F727 HydrophobicContact CB-CD1 3.8Å; I702-F727 HydrophobicContact CB-CE1 4.08Å; I702-F727 HydrophobicContact CD1-CD1 4.22Å; I702-F727 HydrophobicContact CD1-CE1 3.63Å; I702-F727 HydrophobicContact CD1-CZ 4.22Å; I702-F727 HydrophobicContact CG1-CE1 4.43Å; I702-F727 HydrophobicContact CG2-CD1 3.95Å; I702-F727 HydrophobicContact CG2-CE1 4.14Å; I702-A728 PolarHBondContact O-N 2.96Å
703	H	90.8	Very high	87.6	Confident	61 Å²	61	68.8 Å²	68.8	28%	0.282	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	146	176	-169.6	-112.6	0	0	0	110.9	S705 D706 L707 A728 R729	H703-S705 PolarHBondContact ND1-N 3.43Å; H703-S705 PolarHBondContact ND1-OG 3.21Å; H703-S705 PolarHBondContact O-N 2.58Å; H703-S705 VanDerWaalsContact O-N 3.16Å; H703-D706 WeakPolarHBondContact O-CB 3.4Å; H703-D706 PolarHBondContact O-N 3.23Å; H703-L707 PolarHBondContact O-N 2.82Å; H703-L707 VanDerWaalsContact O-N 3.08Å; H703-A728 CarbonylContact C-O 3.52Å; H703-A728 WeakPolarHBondContact CA-O 3.43Å; H703-R729 VanDerWaalsContact CD2-CB 3.44Å; H703-R729 WeakPolarHBondContact CD2-CB 3.48Å; H703-R729 WeakPolarHBondContact NE2-CB 3.45Å; H703-R729 WeakPolarHBondContact NE2-CG 3.33Å
704	G	87	Confident	88	Confident	4 Å²	4	69.7 Å²	69.7	4%	0.041	35%	0.347	C	S	.	.	H	α-helix	trans	-58.8	-25.3	179.7	0	0	0	0	0	114.9	K708 A728 Q734	G704-K708 PolarHBondContact O-N 3.46Å; G704-A728 PolarHBondContact N-O 2.89Å; G704-Q734 VanDerWaalsContact CA-OE1 3.26Å; G704-Q734 PolarHBondContact O-NE2 2.96Å; G704-Q734 PolarHBondContact O-OE1 2.88Å
705	S	86.1	Confident	88.5	Confident	57 Å²	57	66.8 Å²	66.8	40%	0.399	33%	0.327	S	S	.	.	H	α-helix	trans	-66.9	-44.1	170.6	62.8	0	0	0	0	112.1	H703 L707 K708	H703-S705 PolarHBondContact ND1-N 3.43Å; H703-S705 PolarHBondContact ND1-OG 3.21Å; H703-S705 PolarHBondContact O-N 2.58Å; H703-S705 VanDerWaalsContact O-N 3.16Å; S705-L707 VanDerWaalsContact C-N 3.29Å; S705-L707 PolarHBondContact O-N 2.77Å; S705-K708 WeakPolarHBondContact O-CB 3.47Å; S705-K708 PolarHBondContact O-N 2.91Å
706	D	88.7	Confident	89	Confident	69 Å²	69	58.6 Å²	58.6	37%	0.369	30%	0.298	S	S	.	.	H	α-helix	trans	-68	-37.5	-178	-56.8	-6.6	0	0	0	109.4	I702 H703 K708 D709 M710	I702-D706 HydrophobicContact CG2-CB 4.49Å; H703-D706 WeakPolarHBondContact O-CB 3.4Å; H703-D706 PolarHBondContact O-N 3.23Å; D706-K708 VanDerWaalsContact C-N 3.32Å; D706-K708 PolarHBondContact O-N 3.44Å; D706-D709 PolarHBondContact O-N 2.81Å; D706-M710 HydrophobicContact CB-CE 4.06Å; D706-M710 VanDerWaalsContact O-CG 3.31Å; D706-M710 WeakPolarHBondContact O-CG 3.33Å; D706-M710 PolarHBondContact O-N 2.79Å
707	L	88.5	Confident	89.4	Confident	12 Å²	12	57.3 Å²	57.3	6%	0.063	30%	0.295	C	S	.	.	H	α-helix	trans	-65.5	-31.3	176.4	-175	62.1	0	0	0	113.1	I702 H703 S705 D709 M710 L715 F727 T730 Q734 I738	I702-L707 HydrophobicContact CG2-CB 4.23Å; H703-L707 PolarHBondContact O-N 2.82Å; H703-L707 VanDerWaalsContact O-N 3.08Å; S705-L707 VanDerWaalsContact C-N 3.29Å; S705-L707 PolarHBondContact O-N 2.77Å; L707-D709 VanDerWaalsContact C-N 3.33Å; L707-M710 HydrophobicContact CD1-SD 4.32Å; L707-M710 PolarHBondContact O-N 3.31Å; L707-L715 HydrophobicContact CD1-CD1 3.99Å; L707-L715 HydrophobicContact CD1-CD2 4.45Å; L707-F727 HydrophobicContact CD1-CE1 4.17Å; L707-F727 HydrophobicContact CD2-CD1 4.11Å; L707-F727 HydrophobicContact CD2-CE1 4.46Å; L707-T730 HydrophobicContact CD2-CG2 4.4Å; L707-Q734 HydrophobicContact CD2-CB 3.93Å; L707-Q734 HydrophobicContact CD2-CG 4.16Å; L707-I738 HydrophobicContact CD2-CD1 3.76Å; L707-I738 HydrophobicContact CD2-CG1 3.95Å
708	K	83.6	Confident	89.6	Confident	121 Å²	121	58.2 Å²	58.2	53%	0.526	30%	0.299	S	S	.	.	H	α-helix	trans	-64.6	-36.6	176.3	179.5	178.3	-178.6	154.8	0	112.5	E55 G704 S705 D706 M710	E55-K708 VanDerWaalsContact OE2-CD 3.31Å; E55-K708 WeakPolarHBondContact OE2-CD 3.31Å; E55-K708 WeakPolarHBondContact OE2-CE 3.48Å; E55-K708 IonicContact OE2-NZ 3.4Å; E55-K708 PolarHBondContact OE2-NZ 2.82Å; G704-K708 PolarHBondContact O-N 3.46Å; S705-K708 WeakPolarHBondContact O-CB 3.47Å; S705-K708 PolarHBondContact O-N 2.91Å; D706-K708 VanDerWaalsContact C-N 3.32Å; D706-K708 PolarHBondContact O-N 3.44Å; K708-M710 VanDerWaalsContact C-N 3.33Å
709	D	85.6	Confident	89.7	Confident	138 Å²	138	52.7 Å²	52.7	74%	0.738	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-4	179.5	-67.2	-23.5	0	0	0	113.1	D706 L707	D706-D709 PolarHBondContact O-N 2.81Å; L707-D709 VanDerWaalsContact C-N 3.33Å
710	M	87.1	Confident	89.6	Confident	54 Å²	54	55.9 Å²	55.9	27%	0.266	31%	0.305	S	S	.	.			trans	-86.1	132.8	179.7	-76.5	175.1	-161	0	0	113.1	I702 D706 L707 K708 Q714 I718	I702-M710 HydrophobicContact CG2-CE 4.2Å; D706-M710 HydrophobicContact CB-CE 4.06Å; D706-M710 VanDerWaalsContact O-CG 3.31Å; D706-M710 WeakPolarHBondContact O-CG 3.33Å; D706-M710 PolarHBondContact O-N 2.79Å; L707-M710 HydrophobicContact CD1-SD 4.32Å; L707-M710 PolarHBondContact O-N 3.31Å; K708-M710 VanDerWaalsContact C-N 3.33Å; M710-Q714 HydrophobicContact CB-CB 4.45Å; M710-Q714 HydrophobicContact CG-CB 4.46Å; M710-I718 HydrophobicContact CE-CD1 3.97Å; M710-I718 HydrophobicContact SD-CD1 3.63Å
711	N	88.7	Confident	89.4	Confident	115 Å²	115	59 Å²	59	62%	0.615	32%	0.322	S	S	*	.			trans	-74	156.5	165.7	-72.2	-23.4	0	0	0	111.3	D713 Q714 L715	N711-D713 VanDerWaalsContact C-N 3.26Å; N711-D713 PolarHBondContact O-N 2.91Å; N711-Q714 WeakPolarHBondContact O-CB 3.44Å; N711-Q714 PolarHBondContact O-N 3.28Å; N711-L715 PolarHBondContact O-N 3.06Å
712	S	87.7	Confident	89.2	Confident	62 Å²	62	58.9 Å²	58.9	43%	0.434	32%	0.321	S	S	.	.	H	α-helix	trans	-54.5	-39	179.9	-53.9	0	0	0	0	113.6	Q714 L715 D716	S712-Q714 VanDerWaalsContact C-N 3.29Å; S712-Q714 PolarHBondContact O-N 2.88Å; S712-L715 PolarHBondContact O-N 3.48Å; S712-D716 WeakPolarHBondContact O-CB 3.43Å; S712-D716 PolarHBondContact O-N 2.87Å
713	D	90.3	Very high	89	Confident	122 Å²	122	61.2 Å²	61.2	65%	0.652	34%	0.341	S	S	*	.	H	α-helix	trans	-63	-33.3	176.7	-60	-23	0	0	0	112.8	N711 I717	N711-D713 VanDerWaalsContact C-N 3.26Å; N711-D713 PolarHBondContact O-N 2.91Å; D713-I717 WeakPolarHBondContact O-CD1 3.45Å; D713-I717 WeakPolarHBondContact O-CG1 3.43Å; D713-I717 PolarHBondContact O-N 3.41Å
714	Q	90.7	Very high	89.2	Confident	94 Å²	94	58.3 Å²	58.3	44%	0.439	33%	0.327	S	S	.	.	H	α-helix	trans	-73.5	-42.2	179	-67.1	170.6	-54.1	0	0	110.9	M710 N711 S712 D716 I717 I718	M710-Q714 HydrophobicContact CB-CB 4.45Å; M710-Q714 HydrophobicContact CG-CB 4.46Å; N711-Q714 WeakPolarHBondContact O-CB 3.44Å; N711-Q714 PolarHBondContact O-N 3.28Å; S712-Q714 VanDerWaalsContact C-N 3.29Å; S712-Q714 PolarHBondContact O-N 2.88Å; Q714-D716 VanDerWaalsContact C-N 3.31Å; Q714-D716 PolarHBondContact O-N 3.42Å; Q714-I717 PolarHBondContact O-N 3.25Å; Q714-I718 WeakPolarHBondContact O-CG1 3.42Å; Q714-I718 PolarHBondContact O-N 3.17Å
715	L	91.8	Very high	89.6	Confident	3 Å²	3	58.1 Å²	58.1	2%	0.016	33%	0.325	C	S	.	.	H	α-helix	trans	-59.3	-43.9	171.6	177.7	60.4	0	0	0	110.9	L707 N711 S712 I717 I718 L719 F727 I737	L707-L715 HydrophobicContact CD1-CD1 3.99Å; L707-L715 HydrophobicContact CD1-CD2 4.45Å; N711-L715 PolarHBondContact O-N 3.06Å; S712-L715 PolarHBondContact O-N 3.48Å; L715-I717 PolarHBondContact O-N 3.39Å; L715-I718 WeakPolarHBondContact O-CB 3.48Å; L715-I718 PolarHBondContact O-N 2.82Å; L715-I718 VanDerWaalsContact O-N 3.17Å; L715-L719 HydrophobicContact CD1-CD1 4.22Å; L715-L719 HydrophobicContact CD1-CG 4.16Å; L715-L719 HydrophobicContact CG-CD1 4.01Å; L715-L719 HydrophobicContact CG-CG 4.38Å; L715-L719 WeakPolarHBondContact O-CB 3.32Å; L715-L719 VanDerWaalsContact O-CG 3.29Å; L715-L719 WeakPolarHBondContact O-CG 3.34Å; L715-L719 PolarHBondContact O-N 3.47Å; L715-F727 HydrophobicContact CD1-CE1 3.89Å; L715-F727 HydrophobicContact CD1-CZ 3.66Å; L715-I737 HydrophobicContact CD2-CG2 3.95Å
716	D	92	Very high	90.1	Very high	25 Å²	25	55.4 Å²	55.4	13%	0.134	31%	0.306	C	S	.	.	H	α-helix	trans	-64	-38.8	179.3	-73.9	4.9	0	0	0	111.8	S712 Q714 L719 A720 R744	S712-D716 WeakPolarHBondContact O-CB 3.43Å; S712-D716 PolarHBondContact O-N 2.87Å; Q714-D716 VanDerWaalsContact C-N 3.31Å; Q714-D716 PolarHBondContact O-N 3.42Å; D716-L719 PolarHBondContact O-N 3.5Å; D716-A720 WeakPolarHBondContact O-CB 3.43Å; D716-A720 PolarHBondContact O-N 3.15Å; D716-R744 IonicContact OD1-CZ 2.96Å; D716-R744 IonicContact OD1-NE 3.66Å; D716-R744 PolarHBondContact OD1-NE 3.02Å; D716-R744 IonicContact OD1-NH2 3.66Å; D716-R744 PolarHBondContact OD1-NH2 2.9Å; D716-R744 IonicContact OD2-CZ 2.73Å; D716-R744 IonicContact OD2-NE 2.7Å; D716-R744 PolarHBondContact OD2-NE 3.34Å; D716-R744 IonicContact OD2-NH2 2.76Å
717	I	90.8	Very high	90.4	Very high	99 Å²	99	52.1 Å²	52.1	51%	0.508	29%	0.289	S	S	.	.	H	α-helix	trans	-62.8	-41.8	172	-72.3	164.4	0	0	0	111.9	D713 Q714 L715 A720 N721	D713-I717 WeakPolarHBondContact O-CD1 3.45Å; D713-I717 WeakPolarHBondContact O-CG1 3.43Å; D713-I717 PolarHBondContact O-N 3.41Å; Q714-I717 PolarHBondContact O-N 3.25Å; L715-I717 PolarHBondContact O-N 3.39Å; I717-A720 PolarHBondContact O-N 3.36Å; I717-N721 VanDerWaalsContact CG2-ND2 3.32Å; I717-N721 WeakPolarHBondContact CG2-ND2 3.24Å; I717-N721 WeakPolarHBondContact O-CB 3.08Å; I717-N721 VanDerWaalsContact O-CG 3.27Å; I717-N721 PolarHBondContact O-N 2.97Å; I717-N721 PolarHBondContact O-ND2 3.01Å; I717-N721 VanDerWaalsContact O-ND2 3.11Å
718	I	91.4	Very high	90.6	Very high	22 Å²	22	51.6 Å²	51.6	11%	0.113	29%	0.286	C	S	.	.	H	α-helix	trans	-64.1	-48.4	177.2	-74.6	163.7	0	0	0	110.6	I700 I702 M710 Q714 L715 A720 N721 H722	I700-I718 HydrophobicContact CG2-CG2 4.4Å; I702-I718 HydrophobicContact CD1-CD1 3.95Å; I702-I718 HydrophobicContact CD1-CG2 3.51Å; M710-I718 HydrophobicContact CE-CD1 3.97Å; M710-I718 HydrophobicContact SD-CD1 3.63Å; Q714-I718 WeakPolarHBondContact O-CG1 3.42Å; Q714-I718 PolarHBondContact O-N 3.17Å; L715-I718 WeakPolarHBondContact O-CB 3.48Å; L715-I718 PolarHBondContact O-N 2.82Å; L715-I718 VanDerWaalsContact O-N 3.17Å; I718-A720 PolarHBondContact O-N 2.9Å; I718-N721 PolarHBondContact O-N 3.07Å; I718-H722 PolarHBondContact O-CD2 3.16Å; I718-H722 PolarHBondContact O-N 3.35Å; I718-H722 VanDerWaalsContact O-N 3.11Å
719	L	92.5	Very high	90.8	Very high	13 Å²	13	49 Å²	49	7%	0.068	27%	0.273	C	S	.	.	H	α-helix	trans	-62	-31.7	179.8	-69.8	174.2	0	0	0	112.4	K649 I651 L715 D716 I725 F727 G741	K649-L719 PolarHBondContact NZ-O 3.44Å; I651-L719 HydrophobicContact CD1-CD2 4.02Å; L715-L719 HydrophobicContact CD1-CD1 4.22Å; L715-L719 HydrophobicContact CD1-CG 4.16Å; L715-L719 HydrophobicContact CG-CD1 4.01Å; L715-L719 HydrophobicContact CG-CG 4.38Å; L715-L719 WeakPolarHBondContact O-CB 3.32Å; L715-L719 VanDerWaalsContact O-CG 3.29Å; L715-L719 WeakPolarHBondContact O-CG 3.34Å; L715-L719 PolarHBondContact O-N 3.47Å; D716-L719 PolarHBondContact O-N 3.5Å; L719-I725 HydrophobicContact CD2-CD1 3.92Å; L719-F727 HydrophobicContact CD2-CE2 4.26Å; L719-F727 HydrophobicContact CD2-CZ 4.25Å; L719-G741 VanDerWaalsContact CD1-C 3.5Å
720	A	89.3	Confident	91	Very high	68 Å²	68	43 Å²	43	56%	0.562	24%	0.241	S	C	*	.	H	α-helix	trans	-78.8	-39.7	176.5	0	0	0	0	0	113.8	D716 I717 I718	D716-A720 WeakPolarHBondContact O-CB 3.43Å; D716-A720 PolarHBondContact O-N 3.15Å; I717-A720 PolarHBondContact O-N 3.36Å; I718-A720 PolarHBondContact O-N 2.9Å
721	N	88.6	Confident	90.9	Very high	85 Å²	85	40.9 Å²	40.9	46%	0.455	23%	0.232	S	C	.	.	H	α-helix	trans	-84.5	-35.8	-172.2	-70	-31.4	0	0	0	114.1	I717 I718	I717-N721 VanDerWaalsContact CG2-ND2 3.32Å; I717-N721 WeakPolarHBondContact CG2-ND2 3.24Å; I717-N721 WeakPolarHBondContact O-CB 3.08Å; I717-N721 VanDerWaalsContact O-CG 3.27Å; I717-N721 PolarHBondContact O-N 2.97Å; I717-N721 PolarHBondContact O-ND2 3.01Å; I717-N721 VanDerWaalsContact O-ND2 3.11Å; I718-N721 PolarHBondContact O-N 3.07Å
722	H	89.2	Confident	90.9	Very high	8 Å²	8	35.8 Å²	35.8	4%	0.037	21%	0.205	C	C	.	.			trans	-98.4	130.7	-175.6	-58.8	-80.4	0	0	0	111.1	K649 P694 A697 I700 I718 I725	K649-H722 WeakPolarHBondContact CE-O 3.33Å; K649-H722 PolarHBondContact NZ-O 2.64Å; P694-H722 PolarHBondContact O-CE1 3.49Å; A697-H722 PolarHBondContact O-CE1 3.23Å; A697-H722 PolarHBondContact O-ND1 2.88Å; I700-H722 HydrophobicContact CB-CB 4.46Å; I700-H722 HydrophobicContact CG2-CB 3.75Å; I718-H722 PolarHBondContact O-CD2 3.16Å; I718-H722 PolarHBondContact O-N 3.35Å; I718-H722 VanDerWaalsContact O-N 3.11Å; H722-I725 HydrophobicContact CB-CD1 4.17Å; H722-I725 HydrophobicContact CB-CG1 3.93Å
723	A	89.4	Confident	90.8	Very high	53 Å²	53	33.2 Å²	33.2	44%	0.438	19%	0.186	S	C	.	.	S	Bend	trans	-80.9	-30.4	179.8	0	0	0	0	0	112.1	K649 R698	K649-A723 VanDerWaalsContact CE-O 3.32Å; K649-A723 WeakPolarHBondContact CE-O 3.44Å; R698-A723 HydrophobicContact CG-CB 4.25Å; R698-A723 PolarHBondContact O-N 3.47Å
724	E	94.6	Very high	90.9	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	117.8	-172.1	-62.9	170.5	-161.8	0	0	107.2	R644 I670 I671 S672 S675 R698 A699 I700	R644-E724 IonicContact CZ-OE1 3.41Å; R644-E724 IonicContact NH1-OE1 3.32Å; R644-E724 IonicContact NH2-OE1 2.79Å; R644-E724 PolarHBondContact NH2-OE1 3.08Å; I670-E724 VanDerWaalsContact O-CG 3.32Å; I670-E724 WeakPolarHBondContact O-CG 3.41Å; I671-E724 WeakPolarHBondContact CA-OE2 3.43Å; S672-E724 PolarHBondContact N-OE2 3.26Å; S672-E724 VanDerWaalsContact OG-CD 3.25Å; S672-E724 PolarHBondContact OG-OE1 2.86Å; S672-E724 PolarHBondContact OG-OE2 3.37Å; S675-E724 WeakPolarHBondContact CB-OE2 3.4Å; S675-E724 PolarHBondContact OG-OE2 3.49Å; R698-E724 IonicContact CZ-OE1 2.68Å; R698-E724 IonicContact NE-OE1 3.11Å; R698-E724 PolarHBondContact NE-OE1 3.2Å; R698-E724 IonicContact NH2-OE1 3.44Å; R698-E724 PolarHBondContact NH2-OE1 3.11Å; R698-E724 PolarHBondContact O-N 2.99Å; A699-E724 CarbonylContact C-O 3.53Å; A699-E724 VanDerWaalsContact CA-O 3.26Å; A699-E724 WeakPolarHBondContact CA-O 3.33Å; A699-E724 HydrophobicContact CB-CB 4.03Å; I700-E724 PolarHBondContact N-O 3Å
725	I	95.1	Very high	91	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	131.2	-167.8	-52.9	-177.8	0	0	0	109.9	I651 M652 I700 L719 H722 F727	I651-I725 HydrophobicContact CD1-CD1 4.49Å; I651-I725 HydrophobicContact CG1-CB 4.37Å; I651-I725 HydrophobicContact CG2-CB 4.17Å; I651-I725 HydrophobicContact CG2-CG2 4.25Å; M652-I725 PolarHBondContact N-O 2.7Å; I700-I725 HydrophobicContact CG2-CB 4.39Å; I700-I725 HydrophobicContact CG2-CG1 4.07Å; I700-I725 HydrophobicContact CG2-CG2 4.08Å; L719-I725 HydrophobicContact CD2-CD1 3.92Å; H722-I725 HydrophobicContact CB-CD1 4.17Å; H722-I725 HydrophobicContact CB-CG1 3.93Å; I725-F727 HydrophobicContact CG2-CD2 3.81Å; I725-F727 HydrophobicContact CG2-CE2 3.38Å; I725-F727 HydrophobicContact CG2-CZ 3.8Å
726	V	95.9	Very high	91	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	118.4	172.6	179.1	0	0	0	0	108.6	M652 A661 A665 I671 I700 V701 I702	M652-V726 HydrophobicContact CB-CG1 4.22Å; M652-V726 HydrophobicContact CB-CG2 4.26Å; M652-V726 HydrophobicContact CG-CG1 4.4Å; M652-V726 HydrophobicContact SD-CG1 4.04Å; A661-V726 HydrophobicContact CB-CG1 3.83Å; A665-V726 HydrophobicContact CB-CG2 3.49Å; A665-V726 VanDerWaalsContact CB-CG2 3.49Å; I671-V726 HydrophobicContact CD1-CG2 3.91Å; I671-V726 HydrophobicContact CG1-CG2 4.22Å; I700-V726 PolarHBondContact O-N 3.39Å; V701-V726 CarbonylContact C-O 3.58Å; V701-V726 WeakPolarHBondContact CA-O 3.49Å; V701-V726 HydrophobicContact CG1-CB 4.49Å; V701-V726 HydrophobicContact CG1-CG1 4.42Å; V701-V726 HydrophobicContact CG2-CB 4.29Å; I702-V726 PolarHBondContact N-O 3.13Å
727	F	95.7	Very high	91	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	121.2	166.6	-63.5	-85.2	0	0	0	108.7	I651 M652 V653 T654 I702 L707 L715 L719 I725 T730 I738	I651-F727 HydrophobicContact CG2-CD2 3.77Å; I651-F727 HydrophobicContact CG2-CE2 3.9Å; M652-F727 PolarHBondContact O-N 3.28Å; V653-F727 HydrophobicContact CG2-CD2 4.22Å; T654-F727 PolarHBondContact N-O 2.89Å; I702-F727 HydrophobicContact CB-CD1 3.8Å; I702-F727 HydrophobicContact CB-CE1 4.08Å; I702-F727 HydrophobicContact CD1-CD1 4.22Å; I702-F727 HydrophobicContact CD1-CE1 3.63Å; I702-F727 HydrophobicContact CD1-CZ 4.22Å; I702-F727 HydrophobicContact CG1-CE1 4.43Å; I702-F727 HydrophobicContact CG2-CD1 3.95Å; I702-F727 HydrophobicContact CG2-CE1 4.14Å; L707-F727 HydrophobicContact CD1-CE1 4.17Å; L707-F727 HydrophobicContact CD2-CD1 4.11Å; L707-F727 HydrophobicContact CD2-CE1 4.46Å; L715-F727 HydrophobicContact CD1-CE1 3.89Å; L715-F727 HydrophobicContact CD1-CZ 3.66Å; L719-F727 HydrophobicContact CD2-CE2 4.26Å; L719-F727 HydrophobicContact CD2-CZ 4.25Å; I725-F727 HydrophobicContact CG2-CD2 3.81Å; I725-F727 HydrophobicContact CG2-CE2 3.38Å; I725-F727 HydrophobicContact CG2-CZ 3.8Å; F727-T730 HydrophobicContact CB-CG2 3.69Å; F727-I738 HydrophobicContact CB-CD1 3.73Å; F727-I738 HydrophobicContact CD1-CD1 3.82Å; F727-I738 HydrophobicContact CD1-CG1 4.25Å; F727-I738 HydrophobicContact CD2-CD1 3.75Å; F727-I738 HydrophobicContact CD2-CG1 4.18Å; F727-I738 HydrophobicContact CD2-CG2 3.95Å; F727-I738 HydrophobicContact CE1-CD1 4.33Å; F727-I738 HydrophobicContact CE1-CG1 4.26Å; F727-I738 HydrophobicContact CE2-CD1 4.26Å; F727-I738 HydrophobicContact CE2-CG1 4.18Å; F727-I738 HydrophobicContact CE2-CG2 3.7Å; F727-I738 HydrophobicContact CG-CD1 3.5Å; F727-I738 HydrophobicContact CG-CG1 4.21Å; F727-I738 HydrophobicContact CZ-CG1 4.22Å; F727-I738 HydrophobicContact CZ-CG2 4.35Å
728	A	91.8	Very high	91.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	156.5	-175.9	0	0	0	0	0	111	T654 P658 A661 I702 H703 G704 T730	T654-A728 CarbonylContact O-C 3.53Å; T654-A728 WeakPolarHBondContact O-CA 3.4Å; P658-A728 HydrophobicContact CB-CB 4.15Å; P658-A728 HydrophobicContact CG-CB 3.94Å; A661-A728 HydrophobicContact CB-CB 3.86Å; I702-A728 PolarHBondContact O-N 2.96Å; H703-A728 CarbonylContact C-O 3.52Å; H703-A728 WeakPolarHBondContact CA-O 3.43Å; G704-A728 PolarHBondContact N-O 2.89Å; A728-T730 PolarHBondContact O-N 3.02Å
729	R	88	Confident	91.4	Very high	68 Å²	68	19.4 Å²	19.4	26%	0.257	12%	0.115	S	C	.	.	S	Bend	trans	52.5	35.3	-172.4	-149.8	78.8	-170.1	146.9	-10.1	114.2	E238 E256 T654 G655 D656 H703	E238-R729 IonicContact OE1-NH1 2.7Å; E238-R729 PolarHBondContact OE1-NH1 2.84Å; E238-R729 IonicContact OE2-NH1 3.46Å; E238-R729 PolarHBondContact OE2-NH1 3.33Å; E256-R729 IonicContact OE1-CZ 3.51Å; E256-R729 IonicContact OE1-NE 2.69Å; E256-R729 PolarHBondContact OE1-NE 3.21Å; E256-R729 IonicContact OE1-NH2 2.66Å; E256-R729 PolarHBondContact OE1-NH2 3Å; T654-R729 PolarHBondContact O-N 2.98Å; T654-R729 VanDerWaalsContact O-N 3.14Å; G655-R729 WeakPolarHBondContact O-CA 3.32Å; G655-R729 WeakPolarHBondContact O-CD 3.24Å; G655-R729 PolarHBondContact O-NH1 3.25Å; D656-R729 PolarHBondContact O-N 3.4Å; H703-R729 VanDerWaalsContact CD2-CB 3.44Å; H703-R729 WeakPolarHBondContact CD2-CB 3.48Å; H703-R729 WeakPolarHBondContact NE2-CB 3.45Å; H703-R729 WeakPolarHBondContact NE2-CG 3.33Å
730	T	89.6	Confident	91.4	Very high	10 Å²	10	20.4 Å²	20.4	6%	0.061	12%	0.12	C	C	.	.			trans	-80.9	142.5	-178	56.7	0	0	0	0	113.2	V653 T654 L707 F727 A728 I738	V653-T730 HydrophobicContact CG1-CG2 4.47Å; T654-T730 VanDerWaalsContact C-OG1 3.25Å; T654-T730 PolarHBondContact O-N 3.31Å; T654-T730 PolarHBondContact O-OG1 3.22Å; L707-T730 HydrophobicContact CD2-CG2 4.4Å; F727-T730 HydrophobicContact CB-CG2 3.69Å; A728-T730 PolarHBondContact O-N 3.02Å; T730-I738 HydrophobicContact CG2-CD1 4.09Å
731	S	86.7	Confident	91.6	Very high	11 Å²	11	17.2 Å²	17.2	8%	0.077	9%	0.093	C	C	.	.			trans	-83	160	169.7	69.1	0	0	0	0	112	Q733 Q734 K735	S731-Q733 PolarHBondContact O-N 2.77Å; S731-Q734 WeakPolarHBondContact O-CA 3.35Å; S731-Q734 WeakPolarHBondContact O-CB 3.25Å; S731-Q734 PolarHBondContact O-N 3.07Å; S731-Q734 VanDerWaalsContact OG-CG 3.22Å; S731-Q734 WeakPolarHBondContact OG-CG 3.38Å; S731-Q734 PolarHBondContact OG-N 3.46Å; S731-K735 WeakPolarHBondContact O-CG 3.23Å; S731-K735 PolarHBondContact O-N 2.94Å
732	P	87.2	Confident	91.9	Very high	7 Å²	7	13.4 Å²	13.4	5%	0.045	7%	0.073	C	C	.	.	H	α-helix	trans	-51.7	-39.2	176.1	-27.2	34.3	0	0	0	113.7	I288 K735 L736 N757	I288-P732 HydrophobicContact CD1-CB 4.24Å; I288-P732 HydrophobicContact CD1-CG 3.9Å; I288-P732 HydrophobicContact CG1-CB 4.37Å; P732-K735 PolarHBondContact O-N 3.24Å; P732-L736 PolarHBondContact O-N 3.15Å; P732-N757 HydrophobicContact CB-CB 4.45Å; P732-N757 WeakPolarHBondContact CB-O 3.15Å; P732-N757 HydrophobicContact CG-CB 3.87Å
733	Q	87.3	Confident	92.1	Very high	8 Å²	8	15 Å²	15	4%	0.037	8%	0.081	C	C	.	.	H	α-helix	trans	-68.4	-38.9	175.9	-65.5	82.5	-9.1	0	0	112	L291 S731 L736 I737	L291-Q733 HydrophobicContact CD2-CG 4.2Å; S731-Q733 PolarHBondContact O-N 2.77Å; Q733-L736 WeakPolarHBondContact O-CB 3.47Å; Q733-L736 PolarHBondContact O-N 3.26Å; Q733-I737 WeakPolarHBondContact O-CG1 3.44Å; Q733-I737 PolarHBondContact O-N 3.32Å
734	Q	90.8	Very high	92.3	Very high	11 Å²	11	17.5 Å²	17.5	5%	0.051	8%	0.079	C	C	.	.	H	α-helix	trans	-66.4	-37.5	175.5	-72.6	174.5	12.8	0	0	112	E55 G704 L707 S731 L736 I737 I738	E55-Q734 PolarHBondContact OE1-NE2 2.96Å; G704-Q734 VanDerWaalsContact CA-OE1 3.26Å; G704-Q734 PolarHBondContact O-NE2 2.96Å; G704-Q734 PolarHBondContact O-OE1 2.88Å; L707-Q734 HydrophobicContact CD2-CB 3.93Å; L707-Q734 HydrophobicContact CD2-CG 4.16Å; S731-Q734 WeakPolarHBondContact O-CA 3.35Å; S731-Q734 WeakPolarHBondContact O-CB 3.25Å; S731-Q734 PolarHBondContact O-N 3.07Å; S731-Q734 VanDerWaalsContact OG-CG 3.22Å; S731-Q734 WeakPolarHBondContact OG-CG 3.38Å; S731-Q734 PolarHBondContact OG-N 3.46Å; Q734-L736 VanDerWaalsContact C-N 3.28Å; Q734-L736 PolarHBondContact O-N 2.9Å; Q734-I737 PolarHBondContact O-N 3.29Å; Q734-I737 VanDerWaalsContact O-N 3.12Å; Q734-I738 WeakPolarHBondContact O-CD1 3.47Å; Q734-I738 WeakPolarHBondContact O-CG1 3.48Å; Q734-I738 PolarHBondContact O-N 3.49Å
735	K	92.7	Very high	92.1	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.017	10%	0.101	C	C	.	.	H	α-helix	trans	-55.9	-44.9	172.8	-55.7	-150.6	179.3	-166.8	0	111.5	D394 V653 S731 P732 I738 V739 D758 A761	D394-K735 VanDerWaalsContact CG-NZ 3.34Å; D394-K735 IonicContact OD1-NZ 2.94Å; D394-K735 PolarHBondContact OD1-NZ 2.78Å; V653-K735 HydrophobicContact CG1-CB 4.05Å; V653-K735 HydrophobicContact CG1-CD 3.97Å; V653-K735 HydrophobicContact CG1-CG 3.73Å; V653-K735 WeakPolarHBondContact O-CE 3.31Å; V653-K735 PolarHBondContact O-NZ 3.37Å; S731-K735 WeakPolarHBondContact O-CG 3.23Å; S731-K735 PolarHBondContact O-N 2.94Å; P732-K735 PolarHBondContact O-N 3.24Å; K735-I738 PolarHBondContact O-N 3.27Å; K735-V739 WeakPolarHBondContact O-CG2 3.32Å; K735-V739 PolarHBondContact O-N 3.39Å; K735-V739 VanDerWaalsContact O-N 3.17Å; K735-D758 VanDerWaalsContact CD-OD1 3.3Å; K735-D758 WeakPolarHBondContact CD-OD1 3.25Å; K735-D758 WeakPolarHBondContact CE-OD1 3.32Å; K735-D758 IonicContact NZ-OD1 3.93Å; K735-D758 PolarHBondContact NZ-OD1 2.87Å; K735-A761 HydrophobicContact CB-CB 3.9Å
736	L	92.4	Very high	91.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.6	-45.1	173.9	172.9	66.7	0	0	0	112.5	K53 L291 L295 P732 Q733 Q734 I738 V739 E740 P760 K764	K53-L736 HydrophobicContact CD-CD2 4.49Å; K53-L736 HydrophobicContact CG-CD2 4.09Å; L291-L736 HydrophobicContact CD1-CD2 4.01Å; L291-L736 HydrophobicContact CD2-CD2 3.84Å; L291-L736 HydrophobicContact CG-CD2 4.11Å; L295-L736 HydrophobicContact CD1-CD1 3.85Å; L295-L736 HydrophobicContact CD1-CD2 3.95Å; L295-L736 HydrophobicContact CD2-CD1 4.23Å; L295-L736 HydrophobicContact CD2-CD2 4.3Å; P732-L736 PolarHBondContact O-N 3.15Å; Q733-L736 WeakPolarHBondContact O-CB 3.47Å; Q733-L736 PolarHBondContact O-N 3.26Å; Q734-L736 VanDerWaalsContact C-N 3.28Å; Q734-L736 PolarHBondContact O-N 2.9Å; L736-I738 VanDerWaalsContact C-N 3.32Å; L736-I738 PolarHBondContact O-N 3.32Å; L736-V739 PolarHBondContact O-N 3.22Å; L736-E740 HydrophobicContact CD1-CG 4.38Å; L736-E740 WeakPolarHBondContact O-CG 3.36Å; L736-E740 PolarHBondContact O-N 2.81Å; L736-P760 HydrophobicContact CB-CB 4.33Å; L736-P760 HydrophobicContact CD2-CB 4.38Å; L736-K764 HydrophobicContact CD1-CB 3.29Å; L736-K764 HydrophobicContact CD1-CD 4.48Å; L736-K764 HydrophobicContact CD1-CG 3.47Å; L736-K764 VanDerWaalsContact CD1-CG 3.47Å
737	I	92.5	Very high	91.7	Very high	57 Å²	57	25 Å²	25	29%	0.292	13%	0.128	S	C	.	.	H	α-helix	trans	-62.2	-38	179.1	-68.5	164.6	0	0	0	111.7	L715 Q733 Q734 E740 G741	L715-I737 HydrophobicContact CD2-CG2 3.95Å; Q733-I737 WeakPolarHBondContact O-CG1 3.44Å; Q733-I737 PolarHBondContact O-N 3.32Å; Q734-I737 PolarHBondContact O-N 3.29Å; Q734-I737 VanDerWaalsContact O-N 3.12Å; I737-E740 PolarHBondContact O-N 2.79Å; I737-G741 PolarHBondContact O-N 3.39Å
738	I	94.5	Very high	91.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.6	-45.1	176.1	-66.8	158.8	0	0	0	111	V653 L707 F727 T730 Q734 K735 L736 G741 C742	V653-I738 HydrophobicContact CG1-CD1 3.65Å; V653-I738 HydrophobicContact CG2-CD1 4.38Å; V653-I738 HydrophobicContact CG2-CG2 4.03Å; L707-I738 HydrophobicContact CD2-CD1 3.76Å; L707-I738 HydrophobicContact CD2-CG1 3.95Å; F727-I738 HydrophobicContact CB-CD1 3.73Å; F727-I738 HydrophobicContact CD1-CD1 3.82Å; F727-I738 HydrophobicContact CD1-CG1 4.25Å; F727-I738 HydrophobicContact CD2-CD1 3.75Å; F727-I738 HydrophobicContact CD2-CG1 4.18Å; F727-I738 HydrophobicContact CD2-CG2 3.95Å; F727-I738 HydrophobicContact CE1-CD1 4.33Å; F727-I738 HydrophobicContact CE1-CG1 4.26Å; F727-I738 HydrophobicContact CE2-CD1 4.26Å; F727-I738 HydrophobicContact CE2-CG1 4.18Å; F727-I738 HydrophobicContact CE2-CG2 3.7Å; F727-I738 HydrophobicContact CG-CD1 3.5Å; F727-I738 HydrophobicContact CG-CG1 4.21Å; F727-I738 HydrophobicContact CZ-CG1 4.22Å; F727-I738 HydrophobicContact CZ-CG2 4.35Å; T730-I738 HydrophobicContact CG2-CD1 4.09Å; Q734-I738 WeakPolarHBondContact O-CD1 3.47Å; Q734-I738 WeakPolarHBondContact O-CG1 3.48Å; Q734-I738 PolarHBondContact O-N 3.49Å; K735-I738 PolarHBondContact O-N 3.27Å; L736-I738 VanDerWaalsContact C-N 3.32Å; L736-I738 PolarHBondContact O-N 3.32Å; I738-G741 PolarHBondContact O-N 3.48Å; I738-C742 PolarHBondContact O-N 3.18Å; I738-C742 PolarHBondContact O-SG 2.88Å; I738-C742 VanDerWaalsContact O-SG 3.39Å
739	V	95	Very high	91.9	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.018	13%	0.129	C	C	.	.	H	α-helix	trans	-61.3	-45.7	176.1	172.2	0	0	0	0	110.8	K735 L736 G741 C742 Q743 V749 V751 A761 K764	K735-V739 WeakPolarHBondContact O-CG2 3.32Å; K735-V739 PolarHBondContact O-N 3.39Å; K735-V739 VanDerWaalsContact O-N 3.17Å; L736-V739 PolarHBondContact O-N 3.22Å; V739-G741 VanDerWaalsContact C-N 3.3Å; V739-G741 PolarHBondContact O-N 3.3Å; V739-C742 PolarHBondContact O-N 2.9Å; V739-Q743 WeakPolarHBondContact O-CG 3.48Å; V739-Q743 PolarHBondContact O-N 3.24Å; V739-V749 HydrophobicContact CG1-CG1 4.15Å; V739-V751 HydrophobicContact CG1-CG2 4.33Å; V739-V751 HydrophobicContact CG2-CG2 3.45Å; V739-V751 VanDerWaalsContact CG2-CG2 3.45Å; V739-A761 HydrophobicContact CG2-CB 4.12Å; V739-K764 HydrophobicContact CG1-CB 4.49Å; V739-K764 HydrophobicContact CG1-CG 4.31Å
740	E	93.3	Very high	92.3	Very high	35 Å²	35	22 Å²	22	16%	0.164	12%	0.117	C	C	.	.	H	α-helix	trans	-62.9	-34.9	175.5	-70.7	-170.7	149.5	0	0	112.4	K53 L736 I737 Q743 R744 K764	K53-E740 IonicContact NZ-OE1 3.93Å; K53-E740 PolarHBondContact NZ-OE1 3.08Å; K53-E740 IonicContact NZ-OE2 3.73Å; K53-E740 PolarHBondContact NZ-OE2 2.78Å; L736-E740 HydrophobicContact CD1-CG 4.38Å; L736-E740 WeakPolarHBondContact O-CG 3.36Å; L736-E740 PolarHBondContact O-N 2.81Å; I737-E740 PolarHBondContact O-N 2.79Å; E740-Q743 PolarHBondContact O-N 3.49Å; E740-R744 WeakPolarHBondContact O-CG 3.31Å; E740-R744 PolarHBondContact O-N 3.43Å; E740-K764 HydrophobicContact CG-CD 4.39Å; E740-K764 HydrophobicContact CG-CG 3.89Å; E740-K764 VanDerWaalsContact OE1-CE 3.31Å; E740-K764 WeakPolarHBondContact OE1-CE 3.33Å
741	G	93.8	Very high	92.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.3	-43.4	172.3	0	0	0	0	0	113.3	L719 I737 I738 V739 R744 Q745	L719-G741 VanDerWaalsContact CD1-C 3.5Å; I737-G741 PolarHBondContact O-N 3.39Å; I738-G741 PolarHBondContact O-N 3.48Å; V739-G741 VanDerWaalsContact C-N 3.3Å; V739-G741 PolarHBondContact O-N 3.3Å; G741-R744 VanDerWaalsContact CA-NH2 3.31Å; G741-R744 PolarHBondContact O-N 3.33Å; G741-Q745 PolarHBondContact O-N 3.45Å
742	C	94.7	Very high	93.1	Very high	6 Å²	6	21.5 Å²	21.5	4%	0.041	11%	0.113	C	C	.	.	H	α-helix	trans	-64.7	-41.5	174.8	-64.8	0	0	0	0	111.6	I738 V739 Q745 A747 V749	I738-C742 PolarHBondContact O-N 3.18Å; I738-C742 PolarHBondContact O-SG 2.88Å; I738-C742 VanDerWaalsContact O-SG 3.39Å; V739-C742 PolarHBondContact O-N 2.9Å; C742-Q745 PolarHBondContact O-N 2.96Å; C742-A747 WeakPolarHBondContact O-CB 3.46Å; C742-A747 PolarHBondContact O-N 3.29Å; C742-V749 HydrophobicContact CB-CG1 4.44Å; C742-V749 HydrophobicContact CB-CG2 3.46Å; C742-V749 VanDerWaalsContact CB-CG2 3.46Å
743	Q	93.7	Very high	93.3	Very high	41 Å²	41	21.1 Å²	21.1	19%	0.192	11%	0.111	C	C	.	.	H	α-helix	trans	-65.8	-35.3	175.9	-73.1	178.5	-23.6	0	0	113	V739 E740 Q745 G746 V749 K764 D766	V739-Q743 WeakPolarHBondContact O-CG 3.48Å; V739-Q743 PolarHBondContact O-N 3.24Å; E740-Q743 PolarHBondContact O-N 3.49Å; Q743-Q745 PolarHBondContact O-N 3.25Å; Q743-G746 PolarHBondContact O-N 3.01Å; Q743-V749 HydrophobicContact CG-CB 4.23Å; Q743-V749 HydrophobicContact CG-CG2 3.71Å; Q743-K764 PolarHBondContact NE2-O 2.74Å; Q743-D766 PolarHBondContact NE2-OD2 3.43Å
744	R	92.8	Very high	93.5	Very high	105 Å²	105	21.1 Å²	21.1	40%	0.396	11%	0.111	S	C	.	.	H	α-helix	trans	-60.3	-31.2	174.7	-80.3	-167.6	-54.5	-87	3.4	113.1	D716 E740 G741 G746	D716-R744 IonicContact OD1-CZ 2.96Å; D716-R744 IonicContact OD1-NE 3.66Å; D716-R744 PolarHBondContact OD1-NE 3.02Å; D716-R744 IonicContact OD1-NH2 3.66Å; D716-R744 PolarHBondContact OD1-NH2 2.9Å; D716-R744 IonicContact OD2-CZ 2.73Å; D716-R744 IonicContact OD2-NE 2.7Å; D716-R744 PolarHBondContact OD2-NE 3.34Å; D716-R744 IonicContact OD2-NH2 2.76Å; E740-R744 WeakPolarHBondContact O-CG 3.31Å; E740-R744 PolarHBondContact O-N 3.43Å; G741-R744 VanDerWaalsContact CA-NH2 3.31Å; G741-R744 PolarHBondContact O-N 3.33Å; R744-G746 PolarHBondContact O-N 2.99Å
745	Q	89.8	Confident	93.2	Very high	100 Å²	100	21.1 Å²	21.1	47%	0.467	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-1.9	173.8	-60.5	-58.5	-47.5	0	0	113.5	G741 C742 Q743 A747	G741-Q745 PolarHBondContact O-N 3.45Å; C742-Q745 PolarHBondContact O-N 2.96Å; Q743-Q745 PolarHBondContact O-N 3.25Å; Q745-A747 VanDerWaalsContact C-N 3.3Å
746	G	89.9	Confident	92.9	Very high	41 Å²	41	21.1 Å²	21.1	42%	0.423	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	12.6	-174.8	0	0	0	0	0	114.1	Q743 R744	Q743-G746 PolarHBondContact O-N 3.01Å; R744-G746 PolarHBondContact O-N 2.99Å
747	A	92.9	Very high	92.6	Very high	17 Å²	17	21.2 Å²	21.2	14%	0.14	12%	0.115	C	C	.	.			trans	-74.8	148.2	172.2	0	0	0	0	0	111	S389 C742 Q745 V749	S389-A747 WeakPolarHBondContact OG-CA 3.26Å; S389-A747 WeakPolarHBondContact OG-CB 3.41Å; C742-A747 WeakPolarHBondContact O-CB 3.46Å; C742-A747 PolarHBondContact O-N 3.29Å; Q745-A747 VanDerWaalsContact C-N 3.3Å; A747-V749 HydrophobicContact CB-CG2 4.44Å
748	I	95.7	Very high	92.6	Very high	6 Å²	6	18.6 Å²	18.6	3%	0.031	10%	0.101	C	C	.	.			trans	-90.4	119.3	168.8	-56.4	-50.5	0	0	0	106.8	P301 T384 S387 S389 T390 D766 P876	P301-I748 HydrophobicContact CG-CD1 3.93Å; P301-I748 HydrophobicContact CG-CG1 4.25Å; P301-I748 HydrophobicContact CG-CG2 3.96Å; T384-I748 HydrophobicContact CG2-CG2 4.09Å; S387-I748 WeakPolarHBondContact O-CB 3.19Å; S389-I748 PolarHBondContact N-O 2.93Å; S389-I748 PolarHBondContact OG-N 2.86Å; S389-I748 VanDerWaalsContact OG-N 3.11Å; T390-I748 PolarHBondContact N-O 3.09Å; T390-I748 VanDerWaalsContact N-O 3.15Å; I748-D766 HydrophobicContact CG2-CB 3.85Å; I748-P876 HydrophobicContact CD1-CB 4.49Å; I748-P876 HydrophobicContact CD1-CG 4.4Å
749	V	96.5	Very high	92.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	118.9	-168.2	-172.2	0	0	0	0	110.6	T390 V739 C742 Q743 A747 V751 D766 I767	T390-V749 WeakPolarHBondContact O-CA 3.2Å; V739-V749 HydrophobicContact CG1-CG1 4.15Å; C742-V749 HydrophobicContact CB-CG1 4.44Å; C742-V749 HydrophobicContact CB-CG2 3.46Å; C742-V749 VanDerWaalsContact CB-CG2 3.46Å; Q743-V749 HydrophobicContact CG-CB 4.23Å; Q743-V749 HydrophobicContact CG-CG2 3.71Å; A747-V749 HydrophobicContact CB-CG2 4.44Å; V749-V751 HydrophobicContact CG1-CG2 4.45Å; V749-D766 PolarHBondContact N-OD2 2.94Å; V749-D766 PolarHBondContact O-N 2.8Å; V749-I767 PolarHBondContact O-N 3.07Å
750	A	96.8	Very high	92.1	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.008	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	138.6	164.8	0	0	0	0	0	109.8	L385 T388 T390 I391 C392 I767	L385-A750 HydrophobicContact CD1-CB 4.38Å; T388-A750 HydrophobicContact CG2-CB 3.61Å; T390-A750 PolarHBondContact O-N 3.37Å; I391-A750 WeakPolarHBondContact CA-O 3.41Å; I391-A750 HydrophobicContact CG1-CB 4.2Å; C392-A750 PolarHBondContact N-O 2.91Å; A750-I767 WeakPolarHBondContact CA-O 3.47Å; A750-I767 HydrophobicContact CB-CG2 3.52Å
751	V	97.2	Very high	92.1	Very high	6 Å²	6	16.9 Å²	16.9	4%	0.036	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	135.1	171.1	175.5	0	0	0	0	109.2	C392 V739 V749 A761 L762 A765 I767 V769	C392-V751 HydrophobicContact CB-CG2 4.14Å; C392-V751 CarbonylContact O-C 3.56Å; C392-V751 WeakPolarHBondContact O-CA 3.43Å; V739-V751 HydrophobicContact CG1-CG2 4.33Å; V739-V751 HydrophobicContact CG2-CG2 3.45Å; V739-V751 VanDerWaalsContact CG2-CG2 3.45Å; V749-V751 HydrophobicContact CG1-CG2 4.45Å; V751-A761 HydrophobicContact CG1-CB 4.11Å; V751-A761 HydrophobicContact CG2-CB 4.5Å; V751-L762 HydrophobicContact CB-CD2 4.14Å; V751-L762 HydrophobicContact CG1-CD2 3.8Å; V751-L762 HydrophobicContact CG1-CG 4.02Å; V751-L762 WeakPolarHBondContact O-CD2 3.47Å; V751-A765 HydrophobicContact CB-CB 3.87Å; V751-A765 HydrophobicContact CG2-CB 3.57Å; V751-I767 PolarHBondContact N-O 2.74Å; V751-V769 PolarHBondContact O-N 3.04Å
752	T	95.7	Very high	92	Very high	3 Å²	3	16.9 Å²	16.9	2%	0.018	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	130.3	174.6	47.9	0	0	0	0	109.2	I391 C392 S393 D394 V769 F792 I795	I391-T752 HydrophobicContact CG2-CG2 4.47Å; C392-T752 PolarHBondContact O-N 3.35Å; C392-T752 PolarHBondContact O-OG1 2.92Å; S393-T752 WeakPolarHBondContact CA-OG1 3.48Å; S393-T752 WeakPolarHBondContact CB-OG1 3.41Å; S393-T752 PolarHBondContact OG-OG1 3.44Å; D394-T752 PolarHBondContact N-O 3.43Å; T752-V769 WeakPolarHBondContact CA-O 3.29Å; T752-V769 HydrophobicContact CG2-CB 3.83Å; T752-V769 HydrophobicContact CG2-CG1 4.17Å; T752-V769 HydrophobicContact CG2-CG2 4.37Å; T752-F792 HydrophobicContact CG2-CE2 4.32Å; T752-I795 HydrophobicContact CG2-CD1 3.53Å; T752-I795 HydrophobicContact CG2-CG1 4.47Å
753	G	92.2	Very high	91.8	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	164.2	-175.3	0	0	0	0	0	113.2	T398 D758 V769 A770 M771	T398-G753 VanDerWaalsContact OG1-CA 3.28Å; T398-G753 WeakPolarHBondContact OG1-CA 3.3Å; G753-D758 WeakPolarHBondContact CA-OD2 3.32Å; G753-V769 PolarHBondContact N-O 3.05Å; G753-A770 WeakPolarHBondContact O-CA 3.46Å; G753-M771 PolarHBondContact O-N 3.14Å
754	D	90.1	Very high	91.7	Very high	8 Å²	8	18.4 Å²	18.4	4%	0.043	10%	0.099	C	C	.	.			trans	-124.3	-38.4	179.5	75.3	-34.5	0	0	0	111.3	T396 T398 D758 M771 G775 S776 S779	T396-D754 VanDerWaalsContact O-OD1 3.05Å; T398-D754 PolarHBondContact OG1-N 3.36Å; D754-D758 PolarHBondContact N-OD2 3.49Å; D754-M771 HydrophobicContact CB-CB 4.01Å; D754-M771 HydrophobicContact CB-CG 3.8Å; D754-G775 CarbonylContact O-C 3.53Å; D754-G775 WeakPolarHBondContact O-CA 3.47Å; D754-S776 PolarHBondContact O-N 2.84Å; D754-S776 PolarHBondContact O-OG 3.49Å; D754-S779 VanDerWaalsContact O-CB 3.28Å; D754-S779 WeakPolarHBondContact O-CB 3.28Å; D754-S779 PolarHBondContact O-OG 2.86Å
755	G	84.6	Confident	91.8	Very high	10 Å²	10	13.6 Å²	13.6	10%	0.103	8%	0.081	C	C	.	.	S	Bend	trans	-76.7	165.4	-174.3	0	0	0	0	0	115.5	N757 D758 S779	G755-N757 VanDerWaalsContact C-N 3.28Å; G755-N757 VanDerWaalsContact CA-OD1 3.22Å; G755-N757 WeakPolarHBondContact CA-OD1 3.48Å; G755-N757 PolarHBondContact O-N 3.21Å; G755-D758 PolarHBondContact O-N 3.11Å; G755-S779 WeakPolarHBondContact O-CB 3.28Å
756	V	86.1	Confident	92	Very high	4 Å²	4	9.8 Å²	9.8	2%	0.024	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-69.5	-30.3	178.4	174.2	0	0	0	0	111.2	S234 M285 D758 S759 S776 V778	S234-V756 WeakPolarHBondContact O-CB 3.36Å; M285-V756 HydrophobicContact CE-CG1 3.21Å; M285-V756 HydrophobicContact SD-CG1 3.62Å; V756-D758 PolarHBondContact O-N 2.85Å; V756-S759 VanDerWaalsContact O-CB 3.32Å; V756-S759 WeakPolarHBondContact O-CB 3.32Å; V756-S759 PolarHBondContact O-N 3.35Å; V756-S759 VanDerWaalsContact O-N 3.16Å; V756-S759 PolarHBondContact O-OG 3.12Å; V756-S776 WeakPolarHBondContact CG2-OG 3.5Å; V756-V778 HydrophobicContact CG1-CB 4.49Å; V756-V778 HydrophobicContact CG1-CG1 4.09Å; V756-V778 HydrophobicContact CG2-CB 4.2Å
757	N	87.3	Confident	92.2	Very high	2 Å²	2	7.8 Å²	7.8	1%	0.011	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-57.2	-28.3	170.2	59.6	-24.5	0	0	0	114.1	S234 L235 T236 G237 P732 G755 S759 P760	S234-N757 PolarHBondContact O-N 2.83Å; L235-N757 WeakPolarHBondContact O-CB 3.38Å; T236-N757 PolarHBondContact O-ND2 3.38Å; G237-N757 PolarHBondContact N-ND2 2.93Å; P732-N757 HydrophobicContact CB-CB 4.45Å; P732-N757 WeakPolarHBondContact CB-O 3.15Å; P732-N757 HydrophobicContact CG-CB 3.87Å; G755-N757 VanDerWaalsContact C-N 3.28Å; G755-N757 VanDerWaalsContact CA-OD1 3.22Å; G755-N757 WeakPolarHBondContact CA-OD1 3.48Å; G755-N757 PolarHBondContact O-N 3.21Å; N757-S759 VanDerWaalsContact C-N 3.33Å; N757-P760 WeakPolarHBondContact O-CD 3.3Å
758	D	91.2	Very high	92.3	Very high	2 Å²	2	7 Å²	7	1%	0.011	4%	0.037	C	C	.	.	G	3₁₀ helix	trans	-80.1	-14.8	178.3	-64.8	-38.1	0	0	0	113.2	K735 G753 D754 G755 V756 P760 A761 L762	K735-D758 VanDerWaalsContact CD-OD1 3.3Å; K735-D758 WeakPolarHBondContact CD-OD1 3.25Å; K735-D758 WeakPolarHBondContact CE-OD1 3.32Å; K735-D758 IonicContact NZ-OD1 3.93Å; K735-D758 PolarHBondContact NZ-OD1 2.87Å; G753-D758 WeakPolarHBondContact CA-OD2 3.32Å; D754-D758 PolarHBondContact N-OD2 3.49Å; G755-D758 PolarHBondContact O-N 3.11Å; V756-D758 PolarHBondContact O-N 2.85Å; D758-P760 VanDerWaalsContact C-CD 3.45Å; D758-A761 PolarHBondContact O-N 3.34Å; D758-L762 HydrophobicContact CB-CD1 3.82Å; D758-L762 HydrophobicContact CB-CG 4.11Å; D758-L762 WeakPolarHBondContact O-CB 3.37Å; D758-L762 WeakPolarHBondContact O-CG 3.5Å; D758-L762 PolarHBondContact O-N 3.38Å
759	S	88.9	Confident	92.2	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-56.7	-35.9	-172.2	63.9	0	0	0	0	115.9	V756 N757 K763	V756-S759 VanDerWaalsContact O-CB 3.32Å; V756-S759 WeakPolarHBondContact O-CB 3.32Å; V756-S759 PolarHBondContact O-N 3.35Å; V756-S759 VanDerWaalsContact O-N 3.16Å; V756-S759 PolarHBondContact O-OG 3.12Å; N757-S759 VanDerWaalsContact C-N 3.33Å; S759-K763 VanDerWaalsContact O-CB 3.31Å; S759-K763 WeakPolarHBondContact O-CB 3.2Å; S759-K763 PolarHBondContact O-N 3.03Å; S759-K763 VanDerWaalsContact O-N 3.15Å
760	P	90	Very high	92.1	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-71.2	-37.9	174.3	-16.5	32.9	0	0	0	112.2	I288 L291 A292 L295 L736 N757 D758 K763 K764	I288-P760 HydrophobicContact CG2-CG 4.01Å; L291-P760 HydrophobicContact CD2-CB 4.18Å; L291-P760 HydrophobicContact CD2-CG 4.4Å; L291-P760 HydrophobicContact CG-CB 4.33Å; A292-P760 HydrophobicContact CB-CG 4.44Å; L295-P760 HydrophobicContact CD1-CB 4.13Å; L736-P760 HydrophobicContact CB-CB 4.33Å; L736-P760 HydrophobicContact CD2-CB 4.38Å; N757-P760 WeakPolarHBondContact O-CD 3.3Å; D758-P760 VanDerWaalsContact C-CD 3.45Å; P760-K763 PolarHBondContact O-N 3.48Å; P760-K764 WeakPolarHBondContact O-CB 3.39Å; P760-K764 PolarHBondContact O-N 3.1Å; P760-K764 VanDerWaalsContact O-N 3.12Å
761	A	93.4	Very high	91.9	Very high	2 Å²	2	6.9 Å²	6.9	2%	0.017	4%	0.037	C	C	.	.	H	α-helix	trans	-70.4	-47.6	179.7	0	0	0	0	0	111.2	K735 V739 V751 D758 K763 K764 A765	K735-A761 HydrophobicContact CB-CB 3.9Å; V739-A761 HydrophobicContact CG2-CB 4.12Å; V751-A761 HydrophobicContact CG1-CB 4.11Å; V751-A761 HydrophobicContact CG2-CB 4.5Å; D758-A761 PolarHBondContact O-N 3.34Å; A761-K763 PolarHBondContact O-N 3.42Å; A761-K764 PolarHBondContact O-N 3.35Å; A761-A765 PolarHBondContact O-N 2.93Å
762	L	93.2	Very high	91.4	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-54	-39.5	172.6	-75.5	168.1	0	0	0	111.9	V751 D758 G768 V769 A782 A783	V751-L762 HydrophobicContact CB-CD2 4.14Å; V751-L762 HydrophobicContact CG1-CD2 3.8Å; V751-L762 HydrophobicContact CG1-CG 4.02Å; V751-L762 WeakPolarHBondContact O-CD2 3.47Å; D758-L762 HydrophobicContact CB-CD1 3.82Å; D758-L762 HydrophobicContact CB-CG 4.11Å; D758-L762 WeakPolarHBondContact O-CB 3.37Å; D758-L762 WeakPolarHBondContact O-CG 3.5Å; D758-L762 PolarHBondContact O-N 3.38Å; L762-G768 WeakPolarHBondContact O-CA 3.47Å; L762-V769 WeakPolarHBondContact CD2-O 3.49Å; L762-A782 HydrophobicContact CB-CB 4.22Å; L762-A783 HydrophobicContact CD2-CB 4.38Å
763	K	89.4	Confident	91	Very high	30 Å²	30	13.2 Å²	13.2	13%	0.13	7%	0.073	C	C	.	.	H	α-helix	trans	-78.6	-25.5	-177.9	-164.9	51.6	168.7	173.5	0	114.4	I174 A292 T297 S759 P760 A761	I174-K763 HydrophobicContact CD1-CD 4.31Å; A292-K763 WeakPolarHBondContact O-CG 3.43Å; T297-K763 HydrophobicContact CG2-CD 3.84Å; T297-K763 VanDerWaalsContact CG2-NZ 3.26Å; S759-K763 VanDerWaalsContact O-CB 3.31Å; S759-K763 WeakPolarHBondContact O-CB 3.2Å; S759-K763 PolarHBondContact O-N 3.03Å; S759-K763 VanDerWaalsContact O-N 3.15Å; P760-K763 PolarHBondContact O-N 3.48Å; A761-K763 PolarHBondContact O-N 3.42Å
764	K	92.3	Very high	90.5	Very high	49 Å²	49	15.2 Å²	15.2	21%	0.213	9%	0.09	C	C	.	.	H	α-helix	trans	-88.8	-24.4	178.4	-177.2	55.5	-180	164.2	0	113.6	L295 L736 V739 E740 Q743 P760 A761	L295-K764 HydrophobicContact CD1-CB 4.44Å; L295-K764 HydrophobicContact CD2-CD 4.39Å; L736-K764 HydrophobicContact CD1-CB 3.29Å; L736-K764 HydrophobicContact CD1-CD 4.48Å; L736-K764 HydrophobicContact CD1-CG 3.47Å; L736-K764 VanDerWaalsContact CD1-CG 3.47Å; V739-K764 HydrophobicContact CG1-CB 4.49Å; V739-K764 HydrophobicContact CG1-CG 4.31Å; E740-K764 HydrophobicContact CG-CD 4.39Å; E740-K764 HydrophobicContact CG-CG 3.89Å; E740-K764 VanDerWaalsContact OE1-CE 3.31Å; E740-K764 WeakPolarHBondContact OE1-CE 3.33Å; Q743-K764 PolarHBondContact NE2-O 2.74Å; P760-K764 WeakPolarHBondContact O-CB 3.39Å; P760-K764 PolarHBondContact O-N 3.1Å; P760-K764 VanDerWaalsContact O-N 3.12Å; A761-K764 PolarHBondContact O-N 3.35Å
765	A	94.5	Very high	90.2	Very high	4 Å²	4	15.1 Å²	15.1	3%	0.033	9%	0.091	C	C	.	.	S	Bend	trans	-50.7	154	173.6	0	0	0	0	0	111.8	V751 A761 I767	V751-A765 HydrophobicContact CB-CB 3.87Å; V751-A765 HydrophobicContact CG2-CB 3.57Å; A761-A765 PolarHBondContact O-N 2.93Å; A765-I767 WeakPolarHBondContact CB-O 3.37Å; A765-I767 PolarHBondContact O-N 2.91Å
766	D	94.2	Very high	90.2	Very high	20 Å²	20	16.1 Å²	16.1	11%	0.107	10%	0.096	C	C	.	.	S	Bend	trans	-67.7	-27.2	168.5	-59	-92.6	0	0	0	110.1	R304 T384 Q743 I748 V749	R304-D766 IonicContact NH2-OD1 2.65Å; R304-D766 PolarHBondContact NH2-OD1 3.17Å; T384-D766 HydrophobicContact CG2-CB 3.94Å; T384-D766 WeakPolarHBondContact CG2-O 3.29Å; Q743-D766 PolarHBondContact NE2-OD2 3.43Å; I748-D766 HydrophobicContact CG2-CB 3.85Å; V749-D766 PolarHBondContact N-OD2 2.94Å; V749-D766 PolarHBondContact O-N 2.8Å
767	I	93.9	Very high	90	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	122.9	165.8	-178.4	178	0	0	0	111.3	A381 T384 L385 V749 A750 V751 A765 V769 D784 M785	A381-I767 HydrophobicContact CB-CD1 3.9Å; A381-I767 HydrophobicContact CB-CG1 4.08Å; A381-I767 WeakPolarHBondContact O-CD1 3.49Å; T384-I767 HydrophobicContact CG2-CB 3.87Å; T384-I767 HydrophobicContact CG2-CG2 3.96Å; L385-I767 HydrophobicContact CB-CD1 3.89Å; L385-I767 HydrophobicContact CD1-CD1 4.49Å; V749-I767 PolarHBondContact O-N 3.07Å; A750-I767 WeakPolarHBondContact CA-O 3.47Å; A750-I767 HydrophobicContact CB-CG2 3.52Å; V751-I767 PolarHBondContact N-O 2.74Å; A765-I767 WeakPolarHBondContact CB-O 3.37Å; A765-I767 PolarHBondContact O-N 2.91Å; I767-V769 HydrophobicContact CD1-CG2 4.29Å; I767-V769 HydrophobicContact CG1-CG2 4.25Å; I767-D784 HydrophobicContact CG1-CB 4.4Å; I767-M785 HydrophobicContact CD1-CB 4.36Å; I767-M785 HydrophobicContact CD1-CE 3.81Å; I767-M785 HydrophobicContact CD1-SD 4.15Å
768	G	94.2	Very high	89.8	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	133.5	167	0	0	0	0	0	112.1	L762 A783 D784 M785	L762-G768 WeakPolarHBondContact O-CA 3.47Å; G768-A783 WeakPolarHBondContact O-CB 3.42Å; G768-D784 PolarHBondContact N-OD2 3.28Å; G768-D784 PolarHBondContact O-N 3.06Å; G768-M785 PolarHBondContact O-N 3.27Å
769	V	95.1	Very high	89.6	Confident	2 Å²	2	20.9 Å²	20.9	1%	0.012	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	119.6	177.3	-176.3	0	0	0	0	109.6	V751 T752 G753 L762 I767 M785 L787 I795	V751-V769 PolarHBondContact O-N 3.04Å; T752-V769 WeakPolarHBondContact CA-O 3.29Å; T752-V769 HydrophobicContact CG2-CB 3.83Å; T752-V769 HydrophobicContact CG2-CG1 4.17Å; T752-V769 HydrophobicContact CG2-CG2 4.37Å; G753-V769 PolarHBondContact N-O 3.05Å; L762-V769 WeakPolarHBondContact CD2-O 3.49Å; I767-V769 HydrophobicContact CD1-CG2 4.29Å; I767-V769 HydrophobicContact CG1-CG2 4.25Å; V769-M785 WeakPolarHBondContact CA-O 3.49Å; V769-M785 HydrophobicContact CG2-CB 4.29Å; V769-M785 HydrophobicContact CG2-SD 4.16Å; V769-L787 HydrophobicContact CG1-CD1 3.92Å; V769-L787 HydrophobicContact CG1-CD2 3.96Å; V769-L787 HydrophobicContact CG1-CG 3.73Å; V769-I795 HydrophobicContact CG1-CG1 4.45Å
770	A	93.3	Very high	89.4	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	149.3	179.6	0	0	0	0	0	113.1	G753 K780 A783 M785 I786 L787	G753-A770 WeakPolarHBondContact O-CA 3.46Å; A770-K780 HydrophobicContact CB-CG 4.25Å; A770-A783 HydrophobicContact CB-CB 3.6Å; A770-M785 PolarHBondContact N-O 3.14Å; A770-I786 WeakPolarHBondContact O-CA 3.29Å; A770-L787 PolarHBondContact O-N 3.39Å
771	M	93	Very high	89.1	Confident	2 Å²	2	25.2 Å²	25.2	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	137.4	171	-53.9	-54	-85.2	0	0	110.5	T398 G753 D754 A774 G775 K780 L787 D790	T398-M771 HydrophobicContact CG2-SD 4.42Å; G753-M771 PolarHBondContact O-N 3.14Å; D754-M771 HydrophobicContact CB-CB 4.01Å; D754-M771 HydrophobicContact CB-CG 3.8Å; M771-A774 HydrophobicContact CB-CB 4.34Å; M771-G775 VanDerWaalsContact O-CA 3.31Å; M771-G775 WeakPolarHBondContact O-CA 3.45Å; M771-G775 PolarHBondContact O-N 3.08Å; M771-K780 WeakPolarHBondContact O-CE 3.41Å; M771-L787 HydrophobicContact SD-CD1 4.21Å; M771-D790 HydrophobicContact CE-CB 3.81Å; M771-D790 WeakPolarHBondContact CE-O 3.47Å
772	G	87.5	Confident	88.8	Confident	18 Å²	18	25.2 Å²	25.2	19%	0.186	14%	0.141	C	C	.	.	S	Bend	trans	-84	-30.9	-173.4	0	0	0	0	0	114.3	K780 L787 D790	G772-K780 VanDerWaalsContact C-CE 3.48Å; G772-K780 WeakPolarHBondContact O-CE 3.5Å; G772-K780 PolarHBondContact O-NZ 3.49Å; G772-L787 VanDerWaalsContact CA-O 3.22Å; G772-L787 WeakPolarHBondContact CA-O 3.05Å; G772-L787 PolarHBondContact N-O 2.64Å; G772-D790 PolarHBondContact N-OD1 2.83Å
773	I	86	Confident	88.6	Confident	124 Å²	124	25.3 Å²	25.3	64%	0.636	14%	0.142	S	C	*	.	S	Bend	trans	-103.4	-60.2	-179	-53.2	170.9	0	0	0	109.3	G775 D790	I773-G775 VanDerWaalsContact C-N 3.3Å; I773-G775 PolarHBondContact O-N 3.37Å; I773-D790 PolarHBondContact N-OD1 2.98Å
774	A	83.1	Confident	88.6	Confident	42 Å²	42	24.8 Å²	24.8	35%	0.347	14%	0.14	S	C	.	.	S	Bend	trans	-67.3	-27.4	178.8	0	0	0	0	0	113.7	M771 D790	M771-A774 HydrophobicContact CB-CB 4.34Å; A774-D790 VanDerWaalsContact CB-OD2 3.22Å; A774-D790 WeakPolarHBondContact CB-OD2 3.22Å; A774-D790 PolarHBondContact N-OD2 2.94Å
775	G	82.4	Confident	88.5	Confident	6 Å²	6	22.4 Å²	22.4	6%	0.062	13%	0.13	C	C	.	.	S	Bend	trans	-66.1	137	-174.4	0	0	0	0	0	114	D754 M771 I773 K780	D754-G775 CarbonylContact O-C 3.53Å; D754-G775 WeakPolarHBondContact O-CA 3.47Å; M771-G775 VanDerWaalsContact O-CA 3.31Å; M771-G775 WeakPolarHBondContact O-CA 3.45Å; M771-G775 PolarHBondContact O-N 3.08Å; I773-G775 VanDerWaalsContact C-N 3.3Å; I773-G775 PolarHBondContact O-N 3.37Å; G775-K780 WeakPolarHBondContact O-CE 3.37Å; G775-K780 PolarHBondContact O-NZ 3.37Å
776	S	84.2	Confident	88.4	Confident	31 Å²	31	23.3 Å²	23.3	22%	0.217	13%	0.134	C	C	.	.			trans	-60	151.3	166.5	64.9	0	0	0	0	111.7	D754 V756 V778 S779 K780	D754-S776 PolarHBondContact O-N 2.84Å; D754-S776 PolarHBondContact O-OG 3.49Å; V756-S776 WeakPolarHBondContact CG2-OG 3.5Å; S776-V778 PolarHBondContact O-N 3.37Å; S776-S779 PolarHBondContact N-OG 2.84Å; S776-S779 PolarHBondContact O-N 2.69Å; S776-S779 VanDerWaalsContact O-N 3.14Å; S776-S779 PolarHBondContact O-OG 3.34Å; S776-S779 PolarHBondContact OG-N 3.12Å; S776-S779 PolarHBondContact OG-OG 2.95Å; S776-K780 WeakPolarHBondContact O-CD 3.45Å; S776-K780 WeakPolarHBondContact O-CG 3.3Å; S776-K780 PolarHBondContact O-N 2.89Å; S776-K780 VanDerWaalsContact O-N 3.11Å
777	D	81.9	Confident	88.4	Confident	106 Å²	106	22.3 Å²	22.3	57%	0.567	13%	0.129	S	C	*	.	H	α-helix	trans	-62	-29	177.1	-64.8	-48.2	0	0	0	112.1	Q781	D777-Q781 WeakPolarHBondContact O-CB 3.33Å; D777-Q781 VanDerWaalsContact O-CG 3.25Å; D777-Q781 WeakPolarHBondContact O-CG 3.46Å; D777-Q781 PolarHBondContact O-N 2.97Å
778	V	83.5	Confident	88.2	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.012	15%	0.149	C	C	.	.	H	α-helix	trans	-64.5	-46.3	172.9	165	0	0	0	0	112.5	F178 L181 V756 S776 Q781 A782	F178-V778 HydrophobicContact CD1-CG1 4.39Å; F178-V778 HydrophobicContact CD1-CG2 3.7Å; F178-V778 HydrophobicContact CD2-CG2 4.05Å; F178-V778 HydrophobicContact CE1-CB 4.34Å; F178-V778 HydrophobicContact CE1-CG1 3.58Å; F178-V778 HydrophobicContact CE1-CG2 3.76Å; F178-V778 HydrophobicContact CE2-CB 4.48Å; F178-V778 HydrophobicContact CE2-CG1 3.78Å; F178-V778 HydrophobicContact CE2-CG2 4.1Å; F178-V778 HydrophobicContact CG-CG2 3.88Å; F178-V778 HydrophobicContact CZ-CB 4.23Å; F178-V778 HydrophobicContact CZ-CG1 3.24Å; F178-V778 HydrophobicContact CZ-CG2 3.98Å; L181-V778 HydrophobicContact CD1-CG2 3.76Å; V756-V778 HydrophobicContact CG1-CB 4.49Å; V756-V778 HydrophobicContact CG1-CG1 4.09Å; V756-V778 HydrophobicContact CG2-CB 4.2Å; S776-V778 PolarHBondContact O-N 3.37Å; V778-Q781 PolarHBondContact O-N 3.47Å; V778-A782 WeakPolarHBondContact O-CB 3.15Å; V778-A782 PolarHBondContact O-N 3.21Å
779	S	87.3	Confident	87.9	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-66.5	-44	178.7	66.7	0	0	0	0	111.2	D754 G755 S776 Q781 A782 A783	D754-S779 VanDerWaalsContact O-CB 3.28Å; D754-S779 WeakPolarHBondContact O-CB 3.28Å; D754-S779 PolarHBondContact O-OG 2.86Å; G755-S779 WeakPolarHBondContact O-CB 3.28Å; S776-S779 PolarHBondContact N-OG 2.84Å; S776-S779 PolarHBondContact O-N 2.69Å; S776-S779 VanDerWaalsContact O-N 3.14Å; S776-S779 PolarHBondContact O-OG 3.34Å; S776-S779 PolarHBondContact OG-N 3.12Å; S776-S779 PolarHBondContact OG-OG 2.95Å; S779-Q781 VanDerWaalsContact C-N 3.26Å; S779-Q781 PolarHBondContact O-N 2.93Å; S779-A782 PolarHBondContact O-N 2.68Å; S779-A782 VanDerWaalsContact O-N 3.16Å; S779-A783 VanDerWaalsContact O-CB 3.31Å; S779-A783 WeakPolarHBondContact O-CB 3.32Å; S779-A783 PolarHBondContact O-N 2.99Å
780	K	86.1	Confident	87.5	Confident	35 Å²	35	29 Å²	29	15%	0.152	16%	0.164	C	C	.	.	H	α-helix	trans	-55.7	-37.4	172	-70.5	161.8	172.2	163.5	0	112.9	K377 A770 M771 G772 G775 S776 I786	K377-K780 PolarHBondContact NZ-O 3.44Å; A770-K780 HydrophobicContact CB-CG 4.25Å; M771-K780 WeakPolarHBondContact O-CE 3.41Å; G772-K780 VanDerWaalsContact C-CE 3.48Å; G772-K780 WeakPolarHBondContact O-CE 3.5Å; G772-K780 PolarHBondContact O-NZ 3.49Å; G775-K780 WeakPolarHBondContact O-CE 3.37Å; G775-K780 PolarHBondContact O-NZ 3.37Å; S776-K780 WeakPolarHBondContact O-CD 3.45Å; S776-K780 WeakPolarHBondContact O-CG 3.3Å; S776-K780 PolarHBondContact O-N 2.89Å; S776-K780 VanDerWaalsContact O-N 3.11Å; K780-I786 HydrophobicContact CB-CD1 4.06Å; K780-I786 HydrophobicContact CG-CD1 4.41Å
781	Q	83.4	Confident	87.2	Confident	57 Å²	57	31.8 Å²	31.8	27%	0.266	18%	0.179	S	C	.	.	H	α-helix	trans	-77.9	-37.3	175.9	-75.1	-50.9	-29.3	0	0	113.4	I174 S177 K377 D777 V778 S779	I174-Q781 HydrophobicContact CB-CB 4.45Å; I174-Q781 WeakPolarHBondContact CG1-O 3Å; I174-Q781 HydrophobicContact CG2-CB 4.22Å; S177-Q781 WeakPolarHBondContact OG-CG 3.42Å; K377-Q781 VanDerWaalsContact NZ-C 3.34Å; K377-Q781 PolarHBondContact NZ-O 3.24Å; D777-Q781 WeakPolarHBondContact O-CB 3.33Å; D777-Q781 VanDerWaalsContact O-CG 3.25Å; D777-Q781 WeakPolarHBondContact O-CG 3.46Å; D777-Q781 PolarHBondContact O-N 2.97Å; V778-Q781 PolarHBondContact O-N 3.47Å; S779-Q781 VanDerWaalsContact C-N 3.26Å; S779-Q781 PolarHBondContact O-N 2.93Å
782	A	85.9	Confident	86.9	Confident	2 Å²	2	31.8 Å²	31.8	2%	0.017	18%	0.179	C	C	.	.	H	α-helix	trans	-65.7	-40.1	176.7	0	0	0	0	0	112.7	L762 V778 S779	L762-A782 HydrophobicContact CB-CB 4.22Å; V778-A782 WeakPolarHBondContact O-CB 3.15Å; V778-A782 PolarHBondContact O-N 3.21Å; S779-A782 PolarHBondContact O-N 2.68Å; S779-A782 VanDerWaalsContact O-N 3.16Å
783	A	89.5	Confident	87	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.008	18%	0.18	C	C	.	.			trans	-69.2	157.1	-178.1	0	0	0	0	0	114.7	K377 L762 G768 A770 S779	K377-A783 WeakPolarHBondContact CD-O 3.35Å; K377-A783 WeakPolarHBondContact CE-O 3.35Å; K377-A783 PolarHBondContact NZ-O 2.67Å; L762-A783 HydrophobicContact CD2-CB 4.38Å; G768-A783 WeakPolarHBondContact O-CB 3.42Å; A770-A783 HydrophobicContact CB-CB 3.6Å; S779-A783 VanDerWaalsContact O-CB 3.31Å; S779-A783 WeakPolarHBondContact O-CB 3.32Å; S779-A783 PolarHBondContact O-N 2.99Å
784	D	89.5	Confident	87.2	Confident	19 Å²	19	26.7 Å²	26.7	10%	0.102	15%	0.153	C	C	.	.	S	Bend	trans	-93.7	-17.9	174.9	-54.1	-77	0	0	0	112.7	K377 A381 I767 G768	K377-D784 WeakPolarHBondContact CB-O 3.44Å; K377-D784 PolarHBondContact N-O 2.92Å; A381-D784 HydrophobicContact CB-CB 3.85Å; I767-D784 HydrophobicContact CG1-CB 4.4Å; G768-D784 PolarHBondContact N-OD2 3.28Å; G768-D784 PolarHBondContact O-N 3.06Å
785	M	90.9	Very high	87.6	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	144.7	-176.7	-177.2	180	-78.7	0	0	110.2	M369 C374 L375 V376 L385 I767 G768 V769 A770	M369-M785 HydrophobicContact CE-CE 4.27Å; C374-M785 PolarHBondContact SG-SD 2.78Å; L375-M785 CarbonylContact O-C 3.53Å; L375-M785 WeakPolarHBondContact O-CA 3.39Å; V376-M785 HydrophobicContact CG2-CE 3.64Å; V376-M785 HydrophobicContact CG2-CG 4.28Å; L385-M785 HydrophobicContact CD2-CE 3.81Å; L385-M785 HydrophobicContact CD2-SD 3.7Å; I767-M785 HydrophobicContact CD1-CB 4.36Å; I767-M785 HydrophobicContact CD1-CE 3.81Å; I767-M785 HydrophobicContact CD1-SD 4.15Å; G768-M785 PolarHBondContact O-N 3.27Å; V769-M785 WeakPolarHBondContact CA-O 3.49Å; V769-M785 HydrophobicContact CG2-CB 4.29Å; V769-M785 HydrophobicContact CG2-SD 4.16Å; A770-M785 PolarHBondContact N-O 3.14Å
786	I	91.8	Very high	88.1	Confident	22 Å²	22	25.2 Å²	25.2	11%	0.113	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	128.8	-179.5	-56.7	175.7	0	0	0	109.3	L375 K377 A770 K780 L788	L375-I786 HydrophobicContact CB-CB 4.45Å; L375-I786 PolarHBondContact N-O 3.19Å; L375-I786 PolarHBondContact O-N 3.38Å; K377-I786 HydrophobicContact CD-CD1 3.99Å; K377-I786 HydrophobicContact CD-CG1 4.3Å; A770-I786 WeakPolarHBondContact O-CA 3.29Å; K780-I786 HydrophobicContact CB-CD1 4.06Å; K780-I786 HydrophobicContact CG-CD1 4.41Å; I786-L788 HydrophobicContact CG2-CD2 4.15Å; I786-L788 PolarHBondContact O-N 2.88Å
787	L	93.1	Very high	88.5	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	97	175.6	-52	-175.9	0	0	0	109.3	V769 A770 M771 G772 D789 D790 I795	V769-L787 HydrophobicContact CG1-CD1 3.92Å; V769-L787 HydrophobicContact CG1-CD2 3.96Å; V769-L787 HydrophobicContact CG1-CG 3.73Å; A770-L787 PolarHBondContact O-N 3.39Å; M771-L787 HydrophobicContact SD-CD1 4.21Å; G772-L787 VanDerWaalsContact CA-O 3.22Å; G772-L787 WeakPolarHBondContact CA-O 3.05Å; G772-L787 PolarHBondContact N-O 2.64Å; L787-D789 PolarHBondContact O-N 3.4Å; L787-D789 VanDerWaalsContact O-N 3.14Å; L787-D790 PolarHBondContact O-N 2.98Å; L787-I795 HydrophobicContact CD1-CD1 4.12Å; L787-I795 HydrophobicContact CD1-CG1 3.94Å
788	L	89.6	Confident	89	Confident	82 Å²	82	20.5 Å²	20.5	43%	0.429	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-19.8	-171.4	-59.9	177.3	0	0	0	113.9	N373 L375 I786	N373-L788 HydrophobicContact CB-CB 4.26Å; N373-L788 VanDerWaalsContact O-CB 3.29Å; N373-L788 WeakPolarHBondContact O-CB 3.34Å; N373-L788 WeakPolarHBondContact O-CG 3.47Å; N373-L788 PolarHBondContact O-N 3.08Å; L375-L788 HydrophobicContact CB-CD1 4.12Å; L375-L788 HydrophobicContact CB-CD2 4.12Å; L375-L788 HydrophobicContact CB-CG 4.04Å; L375-L788 HydrophobicContact CD2-CD2 4.19Å; I786-L788 HydrophobicContact CG2-CD2 4.15Å; I786-L788 PolarHBondContact O-N 2.88Å
789	D	88.2	Confident	89.6	Confident	52 Å²	52	20.4 Å²	20.4	28%	0.278	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	7.3	-179.3	61.1	-3.3	0	0	0	114	N373 L787 N791	N373-D789 HydrophobicContact CB-CB 3.92Å; N373-D789 VanDerWaalsContact CB-CG 3.47Å; N373-D789 WeakPolarHBondContact CB-OD2 3.25Å; N373-D789 PolarHBondContact ND2-OD2 3.39Å; L787-D789 PolarHBondContact O-N 3.4Å; L787-D789 VanDerWaalsContact O-N 3.14Å; D789-N791 PolarHBondContact O-N 3.4Å; D789-N791 VanDerWaalsContact O-N 3.07Å; D789-N791 WeakPolarHBondContact OD1-CB 3.06Å; D789-N791 PolarHBondContact OD1-N 3.25Å; D789-N791 VanDerWaalsContact OD1-N 3.16Å
790	D	88.2	Confident	89.9	Confident	9 Å²	9	24.4 Å²	24.4	5%	0.048	13%	0.131	C	C	.	.			trans	54.6	19.6	-173.8	-81.7	16.3	0	0	0	114.4	R633 M771 G772 I773 A774 L787 F792	R633-D790 IonicContact CZ-OD2 2.61Å; R633-D790 IonicContact NH2-OD2 2.67Å; R633-D790 PolarHBondContact NH2-OD2 2.8Å; M771-D790 HydrophobicContact CE-CB 3.81Å; M771-D790 WeakPolarHBondContact CE-O 3.47Å; G772-D790 PolarHBondContact N-OD1 2.83Å; I773-D790 PolarHBondContact N-OD1 2.98Å; A774-D790 VanDerWaalsContact CB-OD2 3.22Å; A774-D790 WeakPolarHBondContact CB-OD2 3.22Å; A774-D790 PolarHBondContact N-OD2 2.94Å; L787-D790 PolarHBondContact O-N 2.98Å; D790-F792 PolarHBondContact O-N 2.81Å
791	N	86.6	Confident	90.3	Very high	57 Å²	57	23.3 Å²	23.3	31%	0.305	13%	0.126	S	C	.	.			trans	-91.5	109.8	-175.8	-172.1	-1.8	0	0	0	111.7	A635 D789 A793 S794	A635-N791 WeakPolarHBondContact CB-OD1 3.42Å; D789-N791 PolarHBondContact O-N 3.4Å; D789-N791 VanDerWaalsContact O-N 3.07Å; D789-N791 WeakPolarHBondContact OD1-CB 3.06Å; D789-N791 PolarHBondContact OD1-N 3.25Å; D789-N791 VanDerWaalsContact OD1-N 3.16Å; N791-A793 PolarHBondContact O-N 3.38Å; N791-A793 VanDerWaalsContact O-N 3.12Å; N791-A793 VanDerWaalsContact OD1-CB 3.29Å; N791-A793 WeakPolarHBondContact OD1-CB 3.44Å; N791-A793 PolarHBondContact OD1-N 3.28Å; N791-S794 WeakPolarHBondContact O-CB 3.02Å; N791-S794 PolarHBondContact O-N 3.11Å; N791-S794 PolarHBondContact O-OG 3.27Å
792	F	86	Confident	90.8	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.009	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.7	176.9	-161.1	-85	0	0	0	113.2	T398 L399 V636 A639 V640 T752 D790 S794 I795	T398-F792 HydrophobicContact CG2-CE2 4.43Å; L399-F792 HydrophobicContact CD2-CD2 4.08Å; L399-F792 HydrophobicContact CD2-CE2 3.68Å; L399-F792 HydrophobicContact CD2-CZ 3.95Å; V636-F792 HydrophobicContact CG2-CB 3.48Å; V636-F792 VanDerWaalsContact CG2-CB 3.48Å; V636-F792 HydrophobicContact CG2-CD1 4.46Å; V636-F792 HydrophobicContact CG2-CD2 4.43Å; V636-F792 HydrophobicContact CG2-CG 3.9Å; A639-F792 HydrophobicContact CB-CD1 3.74Å; A639-F792 HydrophobicContact CB-CE1 4.44Å; V640-F792 HydrophobicContact CG2-CE1 4.16Å; T752-F792 HydrophobicContact CG2-CE2 4.32Å; D790-F792 PolarHBondContact O-N 2.81Å; F792-S794 PolarHBondContact O-N 3.34Å; F792-I795 HydrophobicContact CD1-CD1 3.95Å; F792-I795 HydrophobicContact CD2-CD1 3.53Å; F792-I795 HydrophobicContact CE1-CD1 3.92Å; F792-I795 HydrophobicContact CE2-CD1 3.49Å; F792-I795 VanDerWaalsContact CE2-CD1 3.49Å; F792-I795 HydrophobicContact CG-CD1 3.77Å; F792-I795 HydrophobicContact CZ-CD1 3.69Å; F792-I795 VanDerWaalsContact O-CB 3.32Å; F792-I795 WeakPolarHBondContact O-CB 3.42Å; F792-I795 PolarHBondContact O-N 3.24Å; F792-I795 VanDerWaalsContact O-N 3.09Å
793	A	89.1	Confident	91.2	Very high	26 Å²	26	20.8 Å²	20.8	22%	0.215	11%	0.113	C	C	.	.	H	α-helix	trans	-62	-25.3	174.6	0	0	0	0	0	113.2	A635 A639 N791 I795 V796 T797	A635-A793 HydrophobicContact CB-CB 4.2Å; A639-A793 HydrophobicContact CB-CB 4.37Å; N791-A793 PolarHBondContact O-N 3.38Å; N791-A793 VanDerWaalsContact O-N 3.12Å; N791-A793 VanDerWaalsContact OD1-CB 3.29Å; N791-A793 WeakPolarHBondContact OD1-CB 3.44Å; N791-A793 PolarHBondContact OD1-N 3.28Å; A793-I795 PolarHBondContact O-N 3.34Å; A793-V796 WeakPolarHBondContact O-CB 3.48Å; A793-V796 PolarHBondContact O-N 2.61Å; A793-T797 PolarHBondContact O-N 3.13Å
794	S	90.4	Very high	91.5	Very high	10 Å²	10	21.6 Å²	21.6	7%	0.07	12%	0.118	C	C	.	.	H	α-helix	trans	-61.6	-23.7	175.3	-60.2	0	0	0	0	112.6	N791 F792 G798	N791-S794 WeakPolarHBondContact O-CB 3.02Å; N791-S794 PolarHBondContact O-N 3.11Å; N791-S794 PolarHBondContact O-OG 3.27Å; F792-S794 PolarHBondContact O-N 3.34Å; S794-G798 PolarHBondContact O-N 3.02Å
795	I	92	Very high	91.8	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.01	11%	0.113	C	C	.	.	H	α-helix	trans	-66.1	-43	171.3	-63.5	161.4	0	0	0	110.6	L385 I391 T752 V769 L787 F792 A793 T797 G798 V799	L385-I795 HydrophobicContact CD1-CG2 4.25Å; I391-I795 HydrophobicContact CD1-CG2 4.19Å; T752-I795 HydrophobicContact CG2-CD1 3.53Å; T752-I795 HydrophobicContact CG2-CG1 4.47Å; V769-I795 HydrophobicContact CG1-CG1 4.45Å; L787-I795 HydrophobicContact CD1-CD1 4.12Å; L787-I795 HydrophobicContact CD1-CG1 3.94Å; F792-I795 HydrophobicContact CD1-CD1 3.95Å; F792-I795 HydrophobicContact CD2-CD1 3.53Å; F792-I795 HydrophobicContact CE1-CD1 3.92Å; F792-I795 HydrophobicContact CE2-CD1 3.49Å; F792-I795 VanDerWaalsContact CE2-CD1 3.49Å; F792-I795 HydrophobicContact CG-CD1 3.77Å; F792-I795 HydrophobicContact CZ-CD1 3.69Å; F792-I795 VanDerWaalsContact O-CB 3.32Å; F792-I795 WeakPolarHBondContact O-CB 3.42Å; F792-I795 PolarHBondContact O-N 3.24Å; F792-I795 VanDerWaalsContact O-N 3.09Å; A793-I795 PolarHBondContact O-N 3.34Å; I795-T797 VanDerWaalsContact C-N 3.32Å; I795-T797 PolarHBondContact O-N 3.15Å; I795-G798 CarbonylContact O-C 3.59Å; I795-G798 WeakPolarHBondContact O-CA 3.47Å; I795-G798 PolarHBondContact O-N 3.23Å; I795-G798 VanDerWaalsContact O-N 3.09Å; I795-V799 WeakPolarHBondContact O-CG2 3.47Å; I795-V799 PolarHBondContact O-N 3.07Å
796	V	93.9	Very high	91.9	Very high	14 Å²	14	21.3 Å²	21.3	9%	0.085	12%	0.115	C	C	.	.	H	α-helix	trans	-61.9	-43.7	178.8	-173.5	0	0	0	0	110.3	A639 K642 A793 G798 V799 E800 M869	A639-V796 HydrophobicContact CB-CG2 3.73Å; K642-V796 HydrophobicContact CB-CG1 3.76Å; K642-V796 HydrophobicContact CB-CG2 4.19Å; K642-V796 HydrophobicContact CD-CG1 4.1Å; A793-V796 WeakPolarHBondContact O-CB 3.48Å; A793-V796 PolarHBondContact O-N 2.61Å; V796-G798 VanDerWaalsContact C-N 3.33Å; V796-G798 PolarHBondContact O-N 3.47Å; V796-V799 PolarHBondContact O-N 2.78Å; V796-E800 PolarHBondContact O-N 2.87Å; V796-M869 HydrophobicContact CG1-CE 3.52Å
797	T	91.8	Very high	92	Very high	38 Å²	38	21.1 Å²	21.1	23%	0.233	12%	0.115	C	C	.	.	H	α-helix	trans	-63.4	-37.7	173.2	-58.6	0	0	0	0	112.4	K372 A793 I795 E800 E801	K372-T797 HydrophobicContact CD-CG2 3.46Å; K372-T797 VanDerWaalsContact CD-CG2 3.46Å; A793-T797 PolarHBondContact O-N 3.13Å; I795-T797 VanDerWaalsContact C-N 3.32Å; I795-T797 PolarHBondContact O-N 3.15Å; T797-E800 WeakPolarHBondContact O-CB 3.4Å; T797-E800 PolarHBondContact O-N 3.21Å; T797-E801 HydrophobicContact CG2-CG 4.31Å; T797-E801 VanDerWaalsContact O-CG 3.28Å; T797-E801 WeakPolarHBondContact O-CG 3.46Å; T797-E801 PolarHBondContact O-N 3.14Å
798	G	92.5	Very high	92.2	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.01	12%	0.116	C	C	.	.	H	α-helix	trans	-67.3	-36	174.7	0	0	0	0	0	113.4	S794 I795 V796 E800 G802	S794-G798 PolarHBondContact O-N 3.02Å; I795-G798 CarbonylContact O-C 3.59Å; I795-G798 WeakPolarHBondContact O-CA 3.47Å; I795-G798 PolarHBondContact O-N 3.23Å; I795-G798 VanDerWaalsContact O-N 3.09Å; V796-G798 VanDerWaalsContact C-N 3.33Å; V796-G798 PolarHBondContact O-N 3.47Å; G798-E800 VanDerWaalsContact C-N 3.35Å; G798-G802 PolarHBondContact O-N 2.71Å
799	V	94.8	Very high	92.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63	-43.1	170.8	172.1	0	0	0	0	110.4	L385 G386 I648 I795 V796 R803 M869	L385-V799 HydrophobicContact CD1-CG2 4.03Å; L385-V799 HydrophobicContact CG-CG2 3.93Å; G386-V799 WeakPolarHBondContact CA-O 3.43Å; I648-V799 HydrophobicContact CD1-CG1 3.9Å; I648-V799 HydrophobicContact CD1-CG2 3.84Å; I795-V799 WeakPolarHBondContact O-CG2 3.47Å; I795-V799 PolarHBondContact O-N 3.07Å; V796-V799 PolarHBondContact O-N 2.78Å; V799-R803 VanDerWaalsContact O-CB 3.26Å; V799-R803 WeakPolarHBondContact O-CB 3.47Å; V799-R803 WeakPolarHBondContact O-CG 3.42Å; V799-R803 PolarHBondContact O-N 3.1Å; V799-M869 HydrophobicContact CB-CE 4.37Å; V799-M869 HydrophobicContact CG1-CE 4.05Å; V799-M869 HydrophobicContact CG1-SD 4.07Å
800	E	94.9	Very high	92.7	Very high	84 Å²	84	15.2 Å²	15.2	39%	0.393	8%	0.083	S	C	.	.	H	α-helix	trans	-62.7	-54.4	178	-172.4	-178.5	-168.4	0	0	111.9	V796 T797 G798 G802 R803 L804 I868 M869	V796-E800 PolarHBondContact O-N 2.87Å; T797-E800 WeakPolarHBondContact O-CB 3.4Å; T797-E800 PolarHBondContact O-N 3.21Å; G798-E800 VanDerWaalsContact C-N 3.35Å; E800-G802 VanDerWaalsContact C-N 3.33Å; E800-G802 PolarHBondContact O-N 2.93Å; E800-R803 PolarHBondContact O-N 3.21Å; E800-L804 WeakPolarHBondContact O-CB 3.47Å; E800-L804 PolarHBondContact O-N 3.16Å; E800-I868 HydrophobicContact CG-CD1 3.89Å; E800-I868 HydrophobicContact CG-CG1 4.21Å; E800-I868 VanDerWaalsContact O-CD1 3.28Å; E800-I868 WeakPolarHBondContact O-CD1 3.09Å; E800-M869 HydrophobicContact CB-CG 4.34Å; E800-M869 HydrophobicContact CB-SD 3.81Å; E800-M869 HydrophobicContact CG-CG 4.27Å; E800-M869 HydrophobicContact CG-SD 4.31Å
801	E	93.8	Very high	93	Very high	11 Å²	11	14.9 Å²	14.9	5%	0.051	8%	0.082	C	C	.	.	H	α-helix	trans	-64.8	-36.4	179.6	-63.1	-79.5	-172.1	0	0	111.7	T365 R368 M369 K372 T797 L804 I805	T365-E801 HydrophobicContact CG2-CB 4Å; R368-E801 VanDerWaalsContact CD-CD 3.45Å; R368-E801 WeakPolarHBondContact CD-OE1 3.35Å; R368-E801 VanDerWaalsContact CD-OE2 3.24Å; R368-E801 WeakPolarHBondContact CD-OE2 3.49Å; R368-E801 IonicContact CZ-OE2 2.69Å; R368-E801 IonicContact NE-OE2 2.89Å; R368-E801 IonicContact NH1-OE2 3.76Å; R368-E801 PolarHBondContact NH1-OE2 3.47Å; M369-E801 HydrophobicContact CG-CB 4.08Å; M369-E801 HydrophobicContact CG-CG 4.07Å; M369-E801 HydrophobicContact SD-CB 3.97Å; K372-E801 IonicContact NZ-OE1 3.94Å; K372-E801 PolarHBondContact NZ-OE1 2.7Å; T797-E801 HydrophobicContact CG2-CG 4.31Å; T797-E801 VanDerWaalsContact O-CG 3.28Å; T797-E801 WeakPolarHBondContact O-CG 3.46Å; T797-E801 PolarHBondContact O-N 3.14Å; E801-L804 PolarHBondContact O-N 3.01Å; E801-I805 WeakPolarHBondContact O-CG2 3.46Å; E801-I805 PolarHBondContact O-N 3.26Å
802	G	94	Very high	93.4	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64.3	-40.7	173.8	0	0	0	0	0	113	V382 G798 E800 I805 F806	V382-G802 WeakPolarHBondContact O-CA 3.25Å; G798-G802 PolarHBondContact O-N 2.71Å; E800-G802 VanDerWaalsContact C-N 3.33Å; E800-G802 PolarHBondContact O-N 2.93Å; G802-I805 WeakPolarHBondContact O-CG2 3.42Å; G802-F806 PolarHBondContact O-N 3.42Å
803	R	95	Very high	93.8	Very high	6 Å²	6	12.3 Å²	12.3	2%	0.023	7%	0.068	C	C	.	.	H	α-helix	trans	-68	-38.2	174.5	-81	174.7	-178.1	-157.6	3.4	111.7	G386 A646 V799 E800 D807 I868 R871	G386-R803 VanDerWaalsContact O-CG 3.26Å; G386-R803 WeakPolarHBondContact O-CG 3.15Å; G386-R803 PolarHBondContact O-NE 3.09Å; A646-R803 PolarHBondContact O-NH2 3.19Å; V799-R803 VanDerWaalsContact O-CB 3.26Å; V799-R803 WeakPolarHBondContact O-CB 3.47Å; V799-R803 WeakPolarHBondContact O-CG 3.42Å; V799-R803 PolarHBondContact O-N 3.1Å; E800-R803 PolarHBondContact O-N 3.21Å; R803-D807 PolarHBondContact O-N 3.34Å; R803-I868 HydrophobicContact CB-CB 4.39Å; R803-I868 HydrophobicContact CB-CD1 4.04Å; R803-I868 WeakPolarHBondContact CD-O 3.24Å; R803-I868 PolarHBondContact NH1-O 2.89Å; R803-R871 PolarHBondContact NH1-O 2.73Å; R803-R871 PolarHBondContact O-NH2 2.88Å; R803-R871 VanDerWaalsContact O-NH2 3.08Å
804	L	95.4	Very high	94	Very high	18 Å²	18	11.3 Å²	11.3	9%	0.094	6%	0.059	C	C	.	.	H	α-helix	trans	-67.3	-47.9	177.5	-177.7	60.8	0	0	0	111.6	E800 E801 F806 D807 N808 A864 I868	E800-L804 WeakPolarHBondContact O-CB 3.47Å; E800-L804 PolarHBondContact O-N 3.16Å; E801-L804 PolarHBondContact O-N 3.01Å; L804-F806 VanDerWaalsContact C-N 3.32Å; L804-F806 PolarHBondContact O-N 3.19Å; L804-D807 PolarHBondContact O-N 2.67Å; L804-N808 WeakPolarHBondContact O-CB 3.19Å; L804-N808 PolarHBondContact O-N 3.34Å; L804-A864 HydrophobicContact CD1-CB 4.17Å; L804-I868 HydrophobicContact CB-CD1 3.95Å
805	I	95.1	Very high	94.2	Very high	2 Å²	2	10.8 Å²	10.8	1%	0.01	6%	0.056	C	C	.	.	H	α-helix	trans	-65.6	-34.4	-179.1	-166	53.6	0	0	0	112	C361 L362 T365 V382 E383 E801 G802 D807 N808 L809 A860	C361-I805 HydrophobicContact CB-CD1 4.17Å; L362-I805 HydrophobicContact CD2-CG1 4.16Å; T365-I805 HydrophobicContact CG2-CB 4.26Å; T365-I805 WeakPolarHBondContact OG1-CD1 3.48Å; V382-I805 HydrophobicContact CG1-CG2 4.15Å; E383-I805 HydrophobicContact CB-CG2 4.32Å; E801-I805 WeakPolarHBondContact O-CG2 3.46Å; E801-I805 PolarHBondContact O-N 3.26Å; G802-I805 WeakPolarHBondContact O-CG2 3.42Å; I805-D807 PolarHBondContact O-N 3.16Å; I805-N808 PolarHBondContact O-N 3.49Å; I805-L809 HydrophobicContact CD1-CG 4.17Å; I805-L809 HydrophobicContact CG1-CD1 4.14Å; I805-L809 HydrophobicContact CG1-CG 4.13Å; I805-L809 VanDerWaalsContact O-CB 3.3Å; I805-L809 WeakPolarHBondContact O-CB 3.46Å; I805-L809 WeakPolarHBondContact O-CG 3.29Å; I805-L809 PolarHBondContact O-N 3.19Å; I805-A860 HydrophobicContact CD1-CB 4.33Å
806	F	94.5	Very high	94.3	Very high	11 Å²	11	11 Å²	11	5%	0.048	6%	0.057	C	C	.	.	H	α-helix	trans	-60.2	-46.5	174.3	-175.7	-97.8	0	0	0	111.9	E383 G802 L804 L809 K810 R874 L881	E383-F806 HydrophobicContact CG-CB 4.24Å; E383-F806 HydrophobicContact CG-CD2 4.02Å; E383-F806 WeakPolarHBondContact OE1-CD2 3.17Å; G802-F806 PolarHBondContact O-N 3.42Å; L804-F806 VanDerWaalsContact C-N 3.32Å; L804-F806 PolarHBondContact O-N 3.19Å; F806-L809 PolarHBondContact O-N 3.34Å; F806-K810 HydrophobicContact CE1-CD 4.47Å; F806-K810 PolarHBondContact O-N 3.4Å; F806-R874 VanDerWaalsContact CZ-CD 3.48Å; F806-L881 HydrophobicContact CD2-CD1 3.96Å; F806-L881 HydrophobicContact CE2-CB 3.97Å; F806-L881 HydrophobicContact CE2-CD1 3.73Å; F806-L881 HydrophobicContact CE2-CG 4.44Å; F806-L881 HydrophobicContact CZ-CB 4.22Å; F806-L881 HydrophobicContact CZ-CD1 4.21Å
807	D	94.3	Very high	94.3	Very high	19 Å²	19	10.3 Å²	10.3	10%	0.102	5%	0.053	C	C	.	.	H	α-helix	trans	-68.4	-35.9	177.7	-71.6	-38.3	0	0	0	112.5	R803 L804 I805 K810 K811 R871 R977	R803-D807 PolarHBondContact O-N 3.34Å; L804-D807 PolarHBondContact O-N 2.67Å; I805-D807 PolarHBondContact O-N 3.16Å; D807-K810 WeakPolarHBondContact O-CB 3.33Å; D807-K810 PolarHBondContact O-N 3.34Å; D807-K811 WeakPolarHBondContact O-CG 3.32Å; D807-K811 PolarHBondContact O-N 3.2Å; D807-R871 IonicContact OD1-NH1 3.09Å; D807-R871 IonicContact OD1-NH2 3.44Å; D807-R871 IonicContact OD2-CZ 2.89Å; D807-R871 IonicContact OD2-NH1 3.49Å; D807-R871 PolarHBondContact OD2-NH1 2.93Å; D807-R871 IonicContact OD2-NH2 3.14Å; D807-R871 PolarHBondContact OD2-NH2 3.36Å; D807-R977 IonicContact OD1-CZ 3.1Å; D807-R977 IonicContact OD1-NH1 3.88Å; D807-R977 PolarHBondContact OD1-NH1 2.76Å; D807-R977 IonicContact OD1-NH2 2.74Å
808	N	95.3	Very high	94.4	Very high	3 Å²	3	8.5 Å²	8.5	2%	0.016	4%	0.042	C	C	.	.	H	α-helix	trans	-74.3	-32.7	177.8	-71.6	-5.1	0	0	0	112.5	L804 I805 K810 K811 S812 L859 A860 E862	L804-N808 WeakPolarHBondContact O-CB 3.19Å; L804-N808 PolarHBondContact O-N 3.34Å; I805-N808 PolarHBondContact O-N 3.49Å; N808-K810 VanDerWaalsContact C-N 3.32Å; N808-K811 WeakPolarHBondContact O-CB 3.44Å; N808-K811 PolarHBondContact O-N 3.12Å; N808-S812 WeakPolarHBondContact O-CB 3.38Å; N808-S812 PolarHBondContact O-N 2.84Å; N808-L859 WeakPolarHBondContact CB-O 3.31Å; N808-A860 PolarHBondContact ND2-O 3.14Å; N808-A860 VanDerWaalsContact ND2-O 3.15Å; N808-E862 PolarHBondContact ND2-O 2.89Å
809	L	94.3	Very high	94.5	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-63.5	-38.3	170.5	-75.3	173.2	0	0	0	110.9	I302 V358 C361 L362 I805 F806 K811 S812 I813 L881	I302-L809 HydrophobicContact CD1-CD1 4.12Å; V358-L809 HydrophobicContact CB-CD2 4.34Å; V358-L809 HydrophobicContact CG1-CD2 4.1Å; V358-L809 HydrophobicContact CG2-CD2 4.14Å; C361-L809 HydrophobicContact CB-CD2 3.8Å; L362-L809 HydrophobicContact CD2-CD1 4.27Å; I805-L809 HydrophobicContact CD1-CG 4.17Å; I805-L809 HydrophobicContact CG1-CD1 4.14Å; I805-L809 HydrophobicContact CG1-CG 4.13Å; I805-L809 VanDerWaalsContact O-CB 3.3Å; I805-L809 WeakPolarHBondContact O-CB 3.46Å; I805-L809 WeakPolarHBondContact O-CG 3.29Å; I805-L809 PolarHBondContact O-N 3.19Å; F806-L809 PolarHBondContact O-N 3.34Å; L809-K811 VanDerWaalsContact C-N 3.32Å; L809-K811 PolarHBondContact O-N 3.5Å; L809-S812 PolarHBondContact O-N 2.67Å; L809-I813 HydrophobicContact CB-CD1 4.47Å; L809-I813 VanDerWaalsContact O-CB 3.32Å; L809-I813 WeakPolarHBondContact O-CB 3.45Å; L809-I813 WeakPolarHBondContact O-CD1 3.31Å; L809-I813 WeakPolarHBondContact O-CG1 3.24Å; L809-I813 PolarHBondContact O-N 2.81Å; L809-L881 HydrophobicContact CB-CD1 4.01Å
810	K	94.7	Very high	94.4	Very high	7 Å²	7	8.5 Å²	8.5	3%	0.03	4%	0.042	C	C	.	.	H	α-helix	trans	-57.3	-43.5	171	-69.6	-164.7	165	-165.2	0	112.8	F806 D807 N808 A814 K880 L881 Y1060	F806-K810 HydrophobicContact CE1-CD 4.47Å; F806-K810 PolarHBondContact O-N 3.4Å; D807-K810 WeakPolarHBondContact O-CB 3.33Å; D807-K810 PolarHBondContact O-N 3.34Å; N808-K810 VanDerWaalsContact C-N 3.32Å; K810-A814 VanDerWaalsContact O-CB 3.24Å; K810-A814 WeakPolarHBondContact O-CB 3.25Å; K810-A814 PolarHBondContact O-N 2.91Å; K810-K880 WeakPolarHBondContact CE-O 3.46Å; K810-K880 PolarHBondContact NZ-O 3.44Å; K810-L881 VanDerWaalsContact CE-O 3.24Å; K810-L881 WeakPolarHBondContact CE-O 3.21Å; K810-L881 HydrophobicContact CG-CD1 3.94Å; K810-L881 WeakPolarHBondContact CG-O 3.19Å; K810-Y1060 HydrophobicContact CB-CD2 4.36Å; K810-Y1060 HydrophobicContact CB-CE2 4.43Å; K810-Y1060 PolarHBondContact NZ-OXT 3.41Å
811	K	94.6	Very high	94.4	Very high	2 Å²	2	6 Å²	6	1%	0.009	3%	0.031	C	C	.	.	H	α-helix	trans	-63.8	-48	177.9	-62.4	174.6	-177.5	-175.8	0	111.3	D807 N808 L809 A814 Y815 L859 E865 S974 K975 R977	D807-K811 WeakPolarHBondContact O-CG 3.32Å; D807-K811 PolarHBondContact O-N 3.2Å; N808-K811 WeakPolarHBondContact O-CB 3.44Å; N808-K811 PolarHBondContact O-N 3.12Å; L809-K811 VanDerWaalsContact C-N 3.32Å; L809-K811 PolarHBondContact O-N 3.5Å; K811-A814 PolarHBondContact O-N 2.79Å; K811-Y815 PolarHBondContact O-N 2.88Å; K811-L859 HydrophobicContact CB-CB 4.48Å; K811-L859 HydrophobicContact CB-CD1 4.38Å; K811-L859 HydrophobicContact CB-CD2 4.46Å; K811-E865 WeakPolarHBondContact CE-OE1 3.24Å; K811-E865 IonicContact NZ-OE1 3.46Å; K811-E865 PolarHBondContact NZ-OE1 2.75Å; K811-E865 VanDerWaalsContact NZ-OE1 3.08Å; K811-S974 VanDerWaalsContact CB-O 3.27Å; K811-S974 WeakPolarHBondContact CB-O 2.98Å; K811-S974 VanDerWaalsContact CD-O 3.31Å; K811-S974 WeakPolarHBondContact CD-O 3.42Å; K811-S974 WeakPolarHBondContact CG-O 3.4Å; K811-K975 WeakPolarHBondContact CE-O 3.15Å; K811-K975 PolarHBondContact NZ-O 3.5Å; K811-R977 HydrophobicContact CG-CG 4.38Å
812	S	95.1	Very high	94.4	Very high	1 Å²	1	5.5 Å²	5.5	1%	0.007	3%	0.029	C	C	.	.	H	α-helix	trans	-62.2	-44.5	179.6	-173.2	0	0	0	0	112.4	T357 N808 L809 T816 A856	T357-S812 WeakPolarHBondContact CG2-OG 3.38Å; N808-S812 WeakPolarHBondContact O-CB 3.38Å; N808-S812 PolarHBondContact O-N 2.84Å; L809-S812 PolarHBondContact O-N 2.67Å; S812-T816 PolarHBondContact O-N 2.68Å; S812-T816 VanDerWaalsContact O-N 3.12Å; S812-T816 PolarHBondContact O-OG1 2.97Å; S812-A856 WeakPolarHBondContact CB-O 3.38Å; S812-A856 PolarHBondContact OG-O 2.9Å
813	I	93.7	Very high	94.4	Very high	3 Å²	3	5.5 Å²	5.5	2%	0.015	3%	0.029	C	C	.	.	H	α-helix	trans	-66.6	-43.6	175.1	-66.6	161	0	0	0	110.9	F309 L354 L809 Y815 T816 L817 L881 V882	F309-I813 HydrophobicContact CE2-CG2 4.36Å; L354-I813 HydrophobicContact CD1-CG1 3.93Å; L354-I813 HydrophobicContact CD2-CG1 4.3Å; L354-I813 HydrophobicContact CD2-CG2 4.24Å; L809-I813 HydrophobicContact CB-CD1 4.47Å; L809-I813 VanDerWaalsContact O-CB 3.32Å; L809-I813 WeakPolarHBondContact O-CB 3.45Å; L809-I813 WeakPolarHBondContact O-CD1 3.31Å; L809-I813 WeakPolarHBondContact O-CG1 3.24Å; L809-I813 PolarHBondContact O-N 2.81Å; I813-Y815 PolarHBondContact O-N 2.95Å; I813-T816 PolarHBondContact O-N 2.97Å; I813-L817 HydrophobicContact CG2-CD1 3.54Å; I813-L817 HydrophobicContact CG2-CG 4.07Å; I813-L817 WeakPolarHBondContact O-CB 3.44Å; I813-L817 VanDerWaalsContact O-CG 3.25Å; I813-L817 WeakPolarHBondContact O-CG 3.38Å; I813-L817 PolarHBondContact O-N 2.81Å; I813-L881 HydrophobicContact CD1-CD1 4.19Å; I813-L881 HydrophobicContact CD1-CD2 3.59Å; I813-L881 HydrophobicContact CD1-CG 3.76Å; I813-V882 HydrophobicContact CD1-CG2 4.4Å; I813-V882 HydrophobicContact CG2-CG2 3.66Å
814	A	94.3	Very high	94.2	Very high	5 Å²	5	5.4 Å²	5.4	4%	0.041	3%	0.029	C	C	.	.	H	α-helix	trans	-57.9	-50.2	177.6	0	0	0	0	0	111.7	K810 K811 T816 L817 T818 L886 Y1060	K810-A814 VanDerWaalsContact O-CB 3.24Å; K810-A814 WeakPolarHBondContact O-CB 3.25Å; K810-A814 PolarHBondContact O-N 2.91Å; K811-A814 PolarHBondContact O-N 2.79Å; A814-T816 PolarHBondContact O-N 3.01Å; A814-L817 PolarHBondContact O-N 3.33Å; A814-L817 VanDerWaalsContact O-N 3.16Å; A814-T818 PolarHBondContact O-N 2.73Å; A814-T818 PolarHBondContact O-OG1 2.63Å; A814-L886 HydrophobicContact CB-CD1 4.35Å; A814-L886 HydrophobicContact CB-CD2 4.11Å; A814-L886 HydrophobicContact CB-CG 4.13Å; A814-Y1060 HydrophobicContact CB-CE2 4.03Å
815	Y	95.2	Very high	94.1	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-56	-47.8	176.7	169	-99.4	0	0	0	113	K811 I813 L817 T818 D852 P855 A856 L859 Q967 D970 L971	K811-Y815 PolarHBondContact O-N 2.88Å; I813-Y815 PolarHBondContact O-N 2.95Å; Y815-L817 VanDerWaalsContact C-N 3.28Å; Y815-L817 PolarHBondContact O-N 3.41Å; Y815-T818 PolarHBondContact O-N 3.16Å; Y815-D852 HydrophobicContact CE1-CB 4.01Å; Y815-P855 HydrophobicContact CE1-CB 3.7Å; Y815-P855 VanDerWaalsContact OH-CB 3.23Å; Y815-P855 WeakPolarHBondContact OH-CB 3.41Å; Y815-A856 HydrophobicContact CD1-CB 3.8Å; Y815-A856 HydrophobicContact CE1-CB 3.99Å; Y815-L859 HydrophobicContact CG-CD1 4.23Å; Y815-Q967 HydrophobicContact CE2-CB 4.03Å; Y815-Q967 HydrophobicContact CE2-CG 4.32Å; Y815-Q967 PolarHBondContact O-NE2 3.04Å; Y815-D970 WeakPolarHBondContact CA-OD2 3.05Å; Y815-D970 HydrophobicContact CD2-CB 4.13Å; Y815-D970 WeakPolarHBondContact CD2-OD2 3.24Å; Y815-D970 HydrophobicContact CE2-CB 4.41Å; Y815-L971 HydrophobicContact CD2-CB 4.15Å; Y815-L971 HydrophobicContact CD2-CD1 4.25Å; Y815-L971 HydrophobicContact CE2-CB 3.85Å; Y815-L971 HydrophobicContact CE2-CD1 4.23Å; Y815-L971 HydrophobicContact CG-CD1 4.48Å
816	T	93.8	Very high	93.9	Very high	5 Å²	5	5.4 Å²	5.4	3%	0.031	3%	0.03	C	C	.	.	H	α-helix	trans	-68.7	-27.4	-179.9	-42.9	0	0	0	0	112.3	P351 L354 S812 I813 A814 S819 N820	P351-T816 HydrophobicContact CB-CG2 4.19Å; L354-T816 HydrophobicContact CB-CG2 4.16Å; L354-T816 HydrophobicContact CD1-CG2 4.21Å; S812-T816 PolarHBondContact O-N 2.68Å; S812-T816 VanDerWaalsContact O-N 3.12Å; S812-T816 PolarHBondContact O-OG1 2.97Å; I813-T816 PolarHBondContact O-N 2.97Å; A814-T816 PolarHBondContact O-N 3.01Å; T816-S819 PolarHBondContact O-OG 3.02Å; T816-S819 VanDerWaalsContact O-OG 3.1Å; T816-N820 PolarHBondContact O-OD1 3.29Å; T816-N820 VanDerWaalsContact O-OD1 3.06Å
817	L	93.3	Very high	93.6	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-83.2	-18.9	177.2	-73.3	177.6	0	0	0	113.1	F309 I313 P351 I813 A814 Y815 N820 L886 A890 Y891	F309-L817 HydrophobicContact CE2-CD1 3.89Å; F309-L817 HydrophobicContact CE2-CD2 4.14Å; F309-L817 HydrophobicContact CE2-CG 4.5Å; F309-L817 HydrophobicContact CZ-CD2 4.24Å; I313-L817 HydrophobicContact CD1-CD2 3.93Å; I313-L817 HydrophobicContact CG1-CD2 4.49Å; P351-L817 HydrophobicContact CG-CD2 4.23Å; I813-L817 HydrophobicContact CG2-CD1 3.54Å; I813-L817 HydrophobicContact CG2-CG 4.07Å; I813-L817 WeakPolarHBondContact O-CB 3.44Å; I813-L817 VanDerWaalsContact O-CG 3.25Å; I813-L817 WeakPolarHBondContact O-CG 3.38Å; I813-L817 PolarHBondContact O-N 2.81Å; A814-L817 PolarHBondContact O-N 3.33Å; A814-L817 VanDerWaalsContact O-N 3.16Å; Y815-L817 VanDerWaalsContact C-N 3.28Å; Y815-L817 PolarHBondContact O-N 3.41Å; L817-N820 WeakPolarHBondContact CA-OD1 3.27Å; L817-L886 HydrophobicContact CD1-CD2 3.84Å; L817-A890 HydrophobicContact CB-CB 4.35Å; L817-Y891 HydrophobicContact CB-CD1 4.33Å; L817-Y891 HydrophobicContact CB-CE1 3.84Å; L817-Y891 HydrophobicContact CD2-CE1 3.99Å; L817-Y891 HydrophobicContact CG-CE1 4.41Å; L817-Y891 VanDerWaalsContact O-CD1 3.25Å; L817-Y891 WeakPolarHBondContact O-CD1 3.38Å; L817-Y891 WeakPolarHBondContact O-CE1 3.21Å
818	T	94.8	Very high	93.3	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.006	3%	0.034	C	C	.	.	H	α-helix	trans	-65.8	-39.8	178.8	-51.4	0	0	0	0	111.5	A814 Y815 N820 P822 I894 G895 Q898 D970	A814-T818 PolarHBondContact O-N 2.73Å; A814-T818 PolarHBondContact O-OG1 2.63Å; Y815-T818 PolarHBondContact O-N 3.16Å; T818-N820 PolarHBondContact O-N 3.06Å; T818-P822 WeakPolarHBondContact O-CD 3.3Å; T818-I894 HydrophobicContact CG2-CB 3.73Å; T818-I894 HydrophobicContact CG2-CG2 3.54Å; T818-G895 WeakPolarHBondContact O-CA 3.48Å; T818-Q898 VanDerWaalsContact CG2-CD 3.5Å; T818-Q898 HydrophobicContact CG2-CG 4.25Å; T818-D970 WeakPolarHBondContact CB-OD2 3.48Å; T818-D970 PolarHBondContact OG1-OD2 3.27Å
819	S	94.3	Very high	93	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.007	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-24.7	-177	55	0	0	0	0	114.4	T816 I821 P822 E823	T816-S819 PolarHBondContact O-OG 3.02Å; T816-S819 VanDerWaalsContact O-OG 3.1Å; S819-I821 PolarHBondContact O-N 3.21Å; S819-I821 VanDerWaalsContact O-N 3.08Å; S819-P822 WeakPolarHBondContact O-CD 3.35Å; S819-P822 WeakPolarHBondContact O-CG 3.41Å; S819-E823 WeakPolarHBondContact CB-OE1 3.38Å; S819-E823 VanDerWaalsContact O-CG 3.24Å; S819-E823 WeakPolarHBondContact O-CG 3.49Å; S819-E823 PolarHBondContact O-N 3.27Å
820	N	92.7	Very high	92.7	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-55.9	-32.3	176.3	-69.4	94.4	0	0	0	113	A348 T816 L817 T818 E823 I824 Y891	A348-N820 PolarHBondContact O-ND2 2.93Å; A348-N820 VanDerWaalsContact O-ND2 3.13Å; T816-N820 PolarHBondContact O-OD1 3.29Å; T816-N820 VanDerWaalsContact O-OD1 3.06Å; L817-N820 WeakPolarHBondContact CA-OD1 3.27Å; T818-N820 PolarHBondContact O-N 3.06Å; N820-E823 WeakPolarHBondContact CA-OE2 3.3Å; N820-E823 PolarHBondContact O-N 3.37Å; N820-I824 HydrophobicContact CB-CD1 4.21Å; N820-I824 WeakPolarHBondContact O-CB 3.13Å; N820-I824 WeakPolarHBondContact O-CD1 3.35Å; N820-I824 WeakPolarHBondContact O-CG1 3.49Å; N820-I824 PolarHBondContact O-N 3.16Å; N820-Y891 HydrophobicContact CB-CE1 4.11Å
821	I	94	Very high	92.3	Very high	31 Å²	31	9.6 Å²	9.6	16%	0.159	5%	0.051	C	C	.	.	H	α-helix	trans	-70.8	-49.7	-179.9	-60.3	-58.5	0	0	0	114	S819 E823 S825 Y891 G895 A899	S819-I821 PolarHBondContact O-N 3.21Å; S819-I821 VanDerWaalsContact O-N 3.08Å; I821-E823 PolarHBondContact O-N 3.16Å; I821-S825 VanDerWaalsContact O-CB 3.28Å; I821-S825 WeakPolarHBondContact O-CB 3.43Å; I821-S825 PolarHBondContact O-N 2.88Å; I821-S825 PolarHBondContact O-OG 3.34Å; I821-Y891 HydrophobicContact CD1-CD1 4.31Å; I821-Y891 HydrophobicContact CD1-CD2 3.8Å; I821-Y891 HydrophobicContact CD1-CE2 4.35Å; I821-Y891 HydrophobicContact CD1-CG 3.76Å; I821-Y891 HydrophobicContact CG1-CD1 4.21Å; I821-Y891 HydrophobicContact CG1-CG 4.02Å; I821-G895 WeakPolarHBondContact CG2-O 3.28Å; I821-A899 HydrophobicContact CG2-CB 4.19Å
822	P	94.9	Very high	91.9	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-62.4	-15	170.2	23	-32.9	0	0	0	113.9	T818 S819 P826 Q898 A899 F959 I963	T818-P822 WeakPolarHBondContact O-CD 3.3Å; S819-P822 WeakPolarHBondContact O-CD 3.35Å; S819-P822 WeakPolarHBondContact O-CG 3.41Å; P822-P826 WeakPolarHBondContact O-CD 3.43Å; P822-P826 WeakPolarHBondContact O-CG 3.3Å; P822-Q898 HydrophobicContact CB-CB 4.21Å; P822-Q898 HydrophobicContact CG-CB 3.74Å; P822-A899 HydrophobicContact CB-CB 4.32Å; P822-F959 HydrophobicContact CB-CE1 4.13Å; P822-F959 WeakPolarHBondContact O-CE1 3.07Å; P822-F959 WeakPolarHBondContact O-CZ 3.47Å; P822-I963 HydrophobicContact CB-CD1 4Å; P822-I963 HydrophobicContact CB-CG1 3.94Å; P822-I963 HydrophobicContact CG-CD1 4.35Å; P822-I963 HydrophobicContact CG-CG1 4.23Å
823	E	92.9	Very high	91.7	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-89.2	-42.6	175.9	-66.7	156.9	-170.3	0	0	113.2	S819 N820 I821 P826 L839 I844 I847 I963	S819-E823 WeakPolarHBondContact CB-OE1 3.38Å; S819-E823 VanDerWaalsContact O-CG 3.24Å; S819-E823 WeakPolarHBondContact O-CG 3.49Å; S819-E823 PolarHBondContact O-N 3.27Å; N820-E823 WeakPolarHBondContact CA-OE2 3.3Å; N820-E823 PolarHBondContact O-N 3.37Å; I821-E823 PolarHBondContact O-N 3.16Å; E823-P826 WeakPolarHBondContact O-CD 3.39Å; E823-L839 HydrophobicContact CB-CD2 4.39Å; E823-L839 HydrophobicContact CG-CD2 4.15Å; E823-I844 HydrophobicContact CB-CD1 3.98Å; E823-I844 HydrophobicContact CB-CG1 4.04Å; E823-I844 HydrophobicContact CB-CG2 4.42Å; E823-I844 HydrophobicContact CG-CG1 4.07Å; E823-I844 HydrophobicContact CG-CG2 4.29Å; E823-I847 HydrophobicContact CG-CD1 4.3Å; E823-I847 WeakPolarHBondContact OE1-CG2 3.49Å; E823-I963 HydrophobicContact CG-CD1 4.29Å
824	I	91.5	Very high	91.4	Very high	5 Å²	5	15.6 Å²	15.6	3%	0.026	9%	0.086	C	C	.	.	H	α-helix	trans	-68	-47.2	176.4	-65.8	158.2	0	0	0	110.6	A348 N349 N820 F827 L828	A348-I824 HydrophobicContact CB-CB 4.49Å; A348-I824 HydrophobicContact CB-CG1 3.75Å; A348-I824 VanDerWaalsContact O-CG1 3.25Å; A348-I824 WeakPolarHBondContact O-CG1 3.26Å; N349-I824 HydrophobicContact CB-CD1 4.36Å; N349-I824 VanDerWaalsContact ND2-CD1 3.32Å; N349-I824 WeakPolarHBondContact ND2-CD1 3.23Å; N349-I824 WeakPolarHBondContact OD1-CD1 3.37Å; N820-I824 HydrophobicContact CB-CD1 4.21Å; N820-I824 WeakPolarHBondContact O-CB 3.13Å; N820-I824 WeakPolarHBondContact O-CD1 3.35Å; N820-I824 WeakPolarHBondContact O-CG1 3.49Å; N820-I824 PolarHBondContact O-N 3.16Å; I824-F827 PolarHBondContact O-N 2.99Å; I824-L828 HydrophobicContact CG2-CD1 3.9Å; I824-L828 HydrophobicContact CG2-CD2 3.89Å; I824-L828 HydrophobicContact CG2-CG 3.86Å; I824-L828 WeakPolarHBondContact O-CG 3.49Å; I824-L828 PolarHBondContact O-N 2.96Å
825	S	92.4	Very high	91.4	Very high	19 Å²	19	15.5 Å²	15.5	13%	0.133	9%	0.085	C	C	.	.	H	α-helix	trans	-60.1	-33.7	-170.4	57.3	0	0	0	0	115.5	I821 F827 L828 L829 A899	I821-S825 VanDerWaalsContact O-CB 3.28Å; I821-S825 WeakPolarHBondContact O-CB 3.43Å; I821-S825 PolarHBondContact O-N 2.88Å; I821-S825 PolarHBondContact O-OG 3.34Å; S825-F827 PolarHBondContact O-N 3.47Å; S825-L828 PolarHBondContact O-N 3.45Å; S825-L828 VanDerWaalsContact O-N 3.15Å; S825-L829 PolarHBondContact O-N 3.28Å; S825-A899 WeakPolarHBondContact OG-CB 3.48Å
826	P	91.7	Very high	91.2	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-47.7	-49.9	164.8	-35.3	37.9	0	0	0	114.5	P822 E823 L828 F830 P838 L839 F903 F959	P822-P826 WeakPolarHBondContact O-CD 3.43Å; P822-P826 WeakPolarHBondContact O-CG 3.3Å; E823-P826 WeakPolarHBondContact O-CD 3.39Å; P826-L828 VanDerWaalsContact C-N 3.32Å; P826-L828 PolarHBondContact O-N 3.47Å; P826-F830 WeakPolarHBondContact O-CB 3.15Å; P826-F830 PolarHBondContact O-N 3.49Å; P826-P838 HydrophobicContact CB-CB 4.03Å; P826-P838 HydrophobicContact CB-CG 4.06Å; P826-P838 HydrophobicContact CG-CB 4.38Å; P826-L839 HydrophobicContact CB-CB 3.81Å; P826-L839 HydrophobicContact CG-CB 3.71Å; P826-L839 HydrophobicContact CG-CD2 4.3Å; P826-F903 HydrophobicContact CG-CZ 4.44Å; P826-F959 HydrophobicContact CG-CE1 3.98Å; P826-F959 HydrophobicContact CG-CE2 3.93Å; P826-F959 HydrophobicContact CG-CZ 3.57Å
827	F	88	Confident	91.1	Very high	16 Å²	16	16.3 Å²	16.3	7%	0.07	9%	0.089	C	C	.	.	H	α-helix	trans	-67	-34.7	178.5	-75.3	-90.1	0	0	0	112	I345 I824 S825 M831 L837 I844	I345-F827 HydrophobicContact CG1-CB 4.24Å; I824-F827 PolarHBondContact O-N 2.99Å; S825-F827 PolarHBondContact O-N 3.47Å; F827-M831 PolarHBondContact O-N 2.88Å; F827-M831 VanDerWaalsContact O-N 3.1Å; F827-L837 HydrophobicContact CD1-CD1 4.38Å; F827-L837 HydrophobicContact CE1-CD1 4.28Å; F827-L837 HydrophobicContact CZ-CD1 4.47Å; F827-I844 HydrophobicContact CD2-CD1 4.43Å; F827-I844 HydrophobicContact CE2-CD1 3.73Å
828	L	88.1	Confident	91.1	Very high	32 Å²	32	16.3 Å²	16.3	17%	0.168	9%	0.089	C	C	.	.	H	α-helix	trans	-67.3	-47	178.1	-49.3	-169.3	0	0	0	111.4	F324 I345 I824 S825 P826 M831 L832	F324-L828 HydrophobicContact CD1-CD2 3.86Å; F324-L828 HydrophobicContact CD2-CD2 3.85Å; F324-L828 HydrophobicContact CE1-CB 3.9Å; F324-L828 HydrophobicContact CE1-CD1 4.36Å; F324-L828 HydrophobicContact CE1-CD2 3.69Å; F324-L828 HydrophobicContact CE1-CG 4.15Å; F324-L828 HydrophobicContact CE2-CD1 3.98Å; F324-L828 HydrophobicContact CE2-CD2 3.7Å; F324-L828 HydrophobicContact CE2-CG 4.36Å; F324-L828 HydrophobicContact CG-CD2 3.97Å; F324-L828 HydrophobicContact CZ-CB 4.06Å; F324-L828 HydrophobicContact CZ-CD1 3.69Å; F324-L828 HydrophobicContact CZ-CD2 3.63Å; F324-L828 HydrophobicContact CZ-CG 3.96Å; I345-L828 HydrophobicContact CD1-CD2 3.78Å; I345-L828 HydrophobicContact CG1-CD2 4.05Å; I824-L828 HydrophobicContact CG2-CD1 3.9Å; I824-L828 HydrophobicContact CG2-CD2 3.89Å; I824-L828 HydrophobicContact CG2-CG 3.86Å; I824-L828 WeakPolarHBondContact O-CG 3.49Å; I824-L828 PolarHBondContact O-N 2.96Å; S825-L828 PolarHBondContact O-N 3.45Å; S825-L828 VanDerWaalsContact O-N 3.15Å; P826-L828 VanDerWaalsContact C-N 3.32Å; P826-L828 PolarHBondContact O-N 3.47Å; L828-M831 PolarHBondContact O-N 3.38Å; L828-L832 VanDerWaalsContact O-CB 3.28Å; L828-L832 WeakPolarHBondContact O-CB 3.4Å; L828-L832 WeakPolarHBondContact O-CG 3.13Å; L828-L832 PolarHBondContact O-N 3.11Å
829	L	89.4	Confident	90.9	Very high	63 Å²	63	16.3 Å²	16.3	33%	0.33	9%	0.088	S	C	.	.	H	α-helix	trans	-72.4	-34.7	177.5	-68	-162.3	0	0	0	112.6	S825 M831 L832 A833 I835 F903	S825-L829 PolarHBondContact O-N 3.28Å; L829-M831 VanDerWaalsContact C-N 3.25Å; L829-M831 PolarHBondContact O-N 2.82Å; L829-L832 PolarHBondContact O-N 3.23Å; L829-A833 WeakPolarHBondContact O-CA 3.27Å; L829-A833 VanDerWaalsContact O-CB 3.3Å; L829-A833 WeakPolarHBondContact O-CB 3.34Å; L829-A833 PolarHBondContact O-N 2.97Å; L829-I835 HydrophobicContact CB-CD1 3.91Å; L829-F903 HydrophobicContact CB-CE1 4.11Å; L829-F903 HydrophobicContact CB-CZ 3.97Å; L829-F903 HydrophobicContact CD1-CD1 4.07Å; L829-F903 HydrophobicContact CD1-CD2 4.32Å; L829-F903 HydrophobicContact CD1-CE1 3.58Å; L829-F903 HydrophobicContact CD1-CE2 3.88Å; L829-F903 HydrophobicContact CD1-CG 4.43Å; L829-F903 HydrophobicContact CD1-CZ 3.48Å; L829-F903 VanDerWaalsContact CD1-CZ 3.48Å; L829-F903 HydrophobicContact CG-CE1 4.18Å; L829-F903 HydrophobicContact CG-CE2 4.33Å; L829-F903 HydrophobicContact CG-CZ 3.77Å
830	F	88.6	Confident	90.5	Very high	16 Å²	16	16.6 Å²	16.6	7%	0.07	9%	0.092	C	C	.	.	H	α-helix	trans	-54.7	-41.5	170.3	175.7	-113.5	0	0	0	112.2	F341 P826 I835 L837 R924	F341-F830 HydrophobicContact CD1-CE1 4.29Å; F341-F830 HydrophobicContact CE1-CD1 4.38Å; F341-F830 AromaticContact CE1-CE1 3.78Å; F341-F830 HydrophobicContact CE1-CE1 3.78Å; P826-F830 WeakPolarHBondContact O-CB 3.15Å; P826-F830 PolarHBondContact O-N 3.49Å; F830-I835 WeakPolarHBondContact CD2-O 3.46Å; F830-L837 HydrophobicContact CB-CD1 3.96Å; F830-L837 HydrophobicContact CD1-CD1 3.95Å; F830-L837 HydrophobicContact CD2-CB 3.84Å; F830-L837 HydrophobicContact CD2-CD1 3.9Å; F830-L837 HydrophobicContact CD2-CG 4.49Å; F830-L837 HydrophobicContact CE1-CD1 4.31Å; F830-L837 HydrophobicContact CE2-CB 3.78Å; F830-L837 HydrophobicContact CE2-CD1 4.3Å; F830-L837 HydrophobicContact CG-CD1 3.71Å; F830-L837 HydrophobicContact CZ-CB 4.39Å; F830-L837 HydrophobicContact CZ-CD1 4.47Å; F830-R924 VanDerWaalsContact CE1-NH1 3.33Å; F830-R924 VanDerWaalsContact CE2-CD 3.5Å; F830-R924 HydrophobicContact CE2-CG 3.97Å; F830-R924 VanDerWaalsContact CZ-NH2 3.35Å
831	M	84.9	Confident	90	Very high	1 Å²	1	18 Å²	18	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-74.2	-51.3	175.5	-171.1	-170.1	-55	0	0	112.9	F324 M327 A328 L331 Y333 F341 I345 F827 L828 L829	F324-M831 HydrophobicContact CB-CE 3.82Å; F324-M831 HydrophobicContact CB-SD 4.21Å; F324-M831 HydrophobicContact CD1-CE 4.1Å; F324-M831 HydrophobicContact CD1-SD 3.89Å; F324-M831 HydrophobicContact CG-CE 4.44Å; F324-M831 VanDerWaalsContact O-SD 3.38Å; M327-M831 HydrophobicContact CE-SD 4.47Å; A328-M831 HydrophobicContact CB-CE 4.42Å; A328-M831 HydrophobicContact CB-SD 3.99Å; L331-M831 HydrophobicContact CD1-CG 4.23Å; Y333-M831 HydrophobicContact CE2-CG 3.85Å; Y333-M831 PolarHBondContact OH-O 3.16Å; F341-M831 HydrophobicContact CB-CE 3.51Å; F341-M831 HydrophobicContact CD2-CE 3.64Å; F341-M831 HydrophobicContact CD2-CG 4.34Å; F341-M831 HydrophobicContact CG-CE 3.85Å; I345-M831 HydrophobicContact CD1-CE 4.09Å; F827-M831 PolarHBondContact O-N 2.88Å; F827-M831 VanDerWaalsContact O-N 3.1Å; L828-M831 PolarHBondContact O-N 3.38Å; L829-M831 VanDerWaalsContact C-N 3.25Å; L829-M831 PolarHBondContact O-N 2.82Å
832	L	87.6	Confident	89.6	Confident	80 Å²	80	19.5 Å²	19.5	42%	0.419	11%	0.112	S	C	.	.	H	α-helix	trans	-73.3	-49.1	-171.5	-79.4	170.5	0	0	0	113.3	F324 M327 L828 L829	F324-L832 HydrophobicContact CE1-CD1 3.99Å; F324-L832 HydrophobicContact CE1-CG 4.27Å; M327-L832 HydrophobicContact CE-CD1 4.36Å; M327-L832 HydrophobicContact CE-CD2 3.44Å; M327-L832 VanDerWaalsContact CE-CD2 3.44Å; M327-L832 HydrophobicContact CE-CG 3.93Å; M327-L832 HydrophobicContact SD-CD2 3.58Å; M327-L832 VanDerWaalsContact SD-CD2 3.58Å; L828-L832 VanDerWaalsContact O-CB 3.28Å; L828-L832 WeakPolarHBondContact O-CB 3.4Å; L828-L832 WeakPolarHBondContact O-CG 3.13Å; L828-L832 PolarHBondContact O-N 3.11Å; L829-L832 PolarHBondContact O-N 3.23Å
833	A	89.1	Confident	89.3	Confident	20 Å²	20	19.7 Å²	19.7	17%	0.165	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-7	-174.3	0	0	0	0	0	113	L829 I835 F921 G922	L829-A833 WeakPolarHBondContact O-CA 3.27Å; L829-A833 VanDerWaalsContact O-CB 3.3Å; L829-A833 WeakPolarHBondContact O-CB 3.34Å; L829-A833 PolarHBondContact O-N 2.97Å; A833-I835 HydrophobicContact CB-CG1 4.47Å; A833-I835 HydrophobicContact CB-CG2 3.89Å; A833-I835 PolarHBondContact O-N 3.01Å; A833-F921 HydrophobicContact CB-CD1 3.83Å; A833-F921 HydrophobicContact CB-CE1 3.89Å; A833-G922 PolarHBondContact O-N 3.19Å; A833-G922 VanDerWaalsContact O-N 3.08Å
834	N	89.2	Confident	89.2	Confident	33 Å²	33	19.8 Å²	19.8	18%	0.176	11%	0.114	C	C	.	.			trans	50.7	39.9	-174.4	-73.5	-90.4	0	0	0	112.2	Y333 G922 L923 R924	Y333-N834 PolarHBondContact OH-OD1 3.09Å; Y333-N834 VanDerWaalsContact OH-OD1 3.09Å; N834-G922 CarbonylContact O-C 3.57Å; N834-G922 VanDerWaalsContact O-C 3.28Å; N834-G922 WeakPolarHBondContact O-CA 3.46Å; N834-G922 PolarHBondContact O-N 3.46Å; N834-L923 PolarHBondContact O-N 3.21Å; N834-L923 VanDerWaalsContact O-N 3.11Å; N834-R924 HydrophobicContact CB-CB 4.3Å; N834-R924 WeakPolarHBondContact O-CB 3.44Å; N834-R924 PolarHBondContact O-N 3.05Å
835	I	92.3	Very high	89	Confident	2 Å²	2	20.4 Å²	20.4	1%	0.01	12%	0.117	C	C	.	.	P	Polyproline II helix	trans	-84.1	161.8	172.4	58.7	170.6	0	0	0	110.4	L829 F830 A833 P838 F903 Y906 L920	L829-I835 HydrophobicContact CB-CD1 3.91Å; F830-I835 WeakPolarHBondContact CD2-O 3.46Å; A833-I835 HydrophobicContact CB-CG1 4.47Å; A833-I835 HydrophobicContact CB-CG2 3.89Å; A833-I835 PolarHBondContact O-N 3.01Å; I835-P838 HydrophobicContact CD1-CG 3.91Å; I835-F903 HydrophobicContact CD1-CE1 4.45Å; I835-Y906 HydrophobicContact CD1-CE1 4.23Å; I835-L920 HydrophobicContact CG2-CB 4.07Å
836	P	92.1	Very high	88.9	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-53.2	154	162.5	-26	35.2	0	0	0	112.3	P838 Y906 M910 L920 L923 W927	P836-P838 VanDerWaalsContact O-CD 3.28Å; P836-P838 WeakPolarHBondContact O-CD 3.38Å; P836-Y906 WeakPolarHBondContact CD-OH 3.3Å; P836-Y906 PolarHBondContact O-OH 2.87Å; P836-M910 HydrophobicContact CB-CE 3.81Å; P836-M910 HydrophobicContact CG-CE 4.03Å; P836-L920 HydrophobicContact CG-CD2 4.29Å; P836-L923 HydrophobicContact CG-CD2 4.32Å; P836-W927 HydrophobicContact CB-CD2 4.07Å; P836-W927 HydrophobicContact CB-CG 4.24Å; P836-W927 HydrophobicContact CB-CZ2 4.19Å; P836-W927 HydrophobicContact CG-CD2 3.58Å; P836-W927 HydrophobicContact CG-CE3 3.8Å; P836-W927 HydrophobicContact CG-CG 3.91Å; P836-W927 HydrophobicContact CG-CH2 4.37Å; P836-W927 HydrophobicContact CG-CZ2 4.2Å; P836-W927 HydrophobicContact CG-CZ3 4.18Å
837	L	90.9	Very high	88.9	Confident	23 Å²	23	20.2 Å²	20.2	12%	0.12	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-65.9	124.8	-176.7	-172.2	62.7	0	0	0	110.5	F827 F830 L839 H956	F827-L837 HydrophobicContact CD1-CD1 4.38Å; F827-L837 HydrophobicContact CE1-CD1 4.28Å; F827-L837 HydrophobicContact CZ-CD1 4.47Å; F830-L837 HydrophobicContact CB-CD1 3.96Å; F830-L837 HydrophobicContact CD1-CD1 3.95Å; F830-L837 HydrophobicContact CD2-CB 3.84Å; F830-L837 HydrophobicContact CD2-CD1 3.9Å; F830-L837 HydrophobicContact CD2-CG 4.49Å; F830-L837 HydrophobicContact CE1-CD1 4.31Å; F830-L837 HydrophobicContact CE2-CB 3.78Å; F830-L837 HydrophobicContact CE2-CD1 4.3Å; F830-L837 HydrophobicContact CG-CD1 3.71Å; F830-L837 HydrophobicContact CZ-CB 4.39Å; F830-L837 HydrophobicContact CZ-CD1 4.47Å; L837-L839 VanDerWaalsContact CG-O 3.3Å; L837-L839 WeakPolarHBondContact CG-O 3.27Å; L837-H956 PolarHBondContact O-CD2 3.07Å; L837-H956 VanDerWaalsContact O-CD2 3.31Å; L837-H956 PolarHBondContact O-NE2 3.17Å
838	P	92.9	Very high	89.1	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-80.1	-30.6	-179	-16.7	31.2	0	0	0	114.2	P826 I835 P836 F903 Y906 H956 F959	P826-P838 HydrophobicContact CB-CB 4.03Å; P826-P838 HydrophobicContact CB-CG 4.06Å; P826-P838 HydrophobicContact CG-CB 4.38Å; I835-P838 HydrophobicContact CD1-CG 3.91Å; P836-P838 VanDerWaalsContact O-CD 3.28Å; P836-P838 WeakPolarHBondContact O-CD 3.38Å; P838-F903 HydrophobicContact CB-CE1 4.13Å; P838-F903 HydrophobicContact CG-CE1 3.71Å; P838-F903 HydrophobicContact CG-CZ 4.48Å; P838-Y906 HydrophobicContact CB-CD2 3.76Å; P838-Y906 HydrophobicContact CB-CE2 4.09Å; P838-Y906 HydrophobicContact CB-CG 4.15Å; P838-Y906 HydrophobicContact CG-CD2 4.38Å; P838-Y906 HydrophobicContact CG-CE2 4.29Å; P838-H956 WeakPolarHBondContact O-CA 3.31Å; P838-F959 HydrophobicContact CB-CD2 3.76Å; P838-F959 HydrophobicContact CB-CE2 3.89Å; P838-F959 WeakPolarHBondContact O-CB 3.21Å
839	L	91.5	Very high	89.1	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-147.4	135.5	-177.1	-171.3	73.8	0	0	0	109	E823 P826 L837 T843 I844 F959 F960 I963	E823-L839 HydrophobicContact CB-CD2 4.39Å; E823-L839 HydrophobicContact CG-CD2 4.15Å; P826-L839 HydrophobicContact CB-CB 3.81Å; P826-L839 HydrophobicContact CG-CB 3.71Å; P826-L839 HydrophobicContact CG-CD2 4.3Å; L837-L839 VanDerWaalsContact CG-O 3.3Å; L837-L839 WeakPolarHBondContact CG-O 3.27Å; L839-T843 VanDerWaalsContact CD1-OG1 3.26Å; L839-T843 WeakPolarHBondContact CD1-OG1 3.37Å; L839-I844 HydrophobicContact CD2-CD1 4.3Å; L839-I844 HydrophobicContact CD2-CG1 3.67Å; L839-I844 HydrophobicContact CG-CG1 4.18Å; L839-F959 HydrophobicContact CB-CD1 4.25Å; L839-F959 HydrophobicContact CB-CG 4.29Å; L839-F959 HydrophobicContact CD1-CB 4.04Å; L839-F959 HydrophobicContact CD1-CD1 4.01Å; L839-F959 HydrophobicContact CD1-CG 4.28Å; L839-F959 HydrophobicContact CD2-CD1 4.22Å; L839-F959 HydrophobicContact CD2-CE1 4.44Å; L839-F959 HydrophobicContact CG-CD1 4.4Å; L839-F960 HydrophobicContact CD1-CB 4.34Å; L839-I963 HydrophobicContact CD2-CD1 3.99Å
840	G	85.3	Confident	89.2	Confident	8 Å²	8	19 Å²	19	8%	0.082	12%	0.115	C	C	.	.			trans	-98	160.4	-178.9	0	0	0	0	0	113.8	V842 T843 I844	G840-V842 VanDerWaalsContact C-N 3.27Å; G840-V842 PolarHBondContact O-N 3.05Å; G840-T843 PolarHBondContact N-OG1 3.46Å; G840-T843 PolarHBondContact O-N 2.92Å; G840-T843 PolarHBondContact O-OG1 3.33Å; G840-I844 PolarHBondContact O-N 2.91Å
841	S	83	Confident	89.4	Confident	29 Å²	29	18.3 Å²	18.3	20%	0.203	11%	0.112	C	C	.	.	H	α-helix	trans	-59.9	-34	178.5	-45.6	0	0	0	0	113.4	T843 I844 L845	S841-T843 VanDerWaalsContact C-N 3.34Å; S841-I844 PolarHBondContact O-N 2.94Å; S841-L845 WeakPolarHBondContact O-CG 3.37Å; S841-L845 PolarHBondContact O-N 3.4Å; S841-L845 VanDerWaalsContact O-N 3.16Å
842	V	85.2	Confident	89.9	Confident	63 Å²	63	18.4 Å²	18.4	38%	0.382	11%	0.112	S	C	.	.	H	α-helix	trans	-68.1	-35.3	176	-179.6	0	0	0	0	111.5	G840 C846 L1015	G840-V842 VanDerWaalsContact C-N 3.27Å; G840-V842 PolarHBondContact O-N 3.05Å; V842-C846 PolarHBondContact O-N 3.43Å; V842-C846 PolarHBondContact O-SG 2.82Å; V842-L1015 HydrophobicContact CG1-CB 4.3Å; V842-L1015 HydrophobicContact CG1-CD2 3.82Å
843	T	89.7	Confident	90	Very high	3 Å²	3	17.1 Å²	17.1	2%	0.018	11%	0.105	C	C	.	.	H	α-helix	trans	-74	-30.5	176.9	47.6	0	0	0	0	112.4	L839 G840 S841 C846 I847 H956 M1017	L839-T843 VanDerWaalsContact CD1-OG1 3.26Å; L839-T843 WeakPolarHBondContact CD1-OG1 3.37Å; G840-T843 PolarHBondContact N-OG1 3.46Å; G840-T843 PolarHBondContact O-N 2.92Å; G840-T843 PolarHBondContact O-OG1 3.33Å; S841-T843 VanDerWaalsContact C-N 3.34Å; T843-C846 PolarHBondContact O-N 3.35Å; T843-I847 WeakPolarHBondContact O-CG1 3.39Å; T843-I847 PolarHBondContact O-N 2.86Å; T843-H956 HydrophobicContact CG2-CB 4.06Å; T843-M1017 HydrophobicContact CG2-CE 3.69Å; T843-M1017 HydrophobicContact CG2-CG 4.34Å
844	I	89.6	Confident	90.3	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-61.2	-53	169.7	-65.9	175.4	0	0	0	110.1	A348 E823 F827 L839 G840 S841 C846 I847 D848	A348-I844 HydrophobicContact CB-CD1 4.02Å; E823-I844 HydrophobicContact CB-CD1 3.98Å; E823-I844 HydrophobicContact CB-CG1 4.04Å; E823-I844 HydrophobicContact CB-CG2 4.42Å; E823-I844 HydrophobicContact CG-CG1 4.07Å; E823-I844 HydrophobicContact CG-CG2 4.29Å; F827-I844 HydrophobicContact CD2-CD1 4.43Å; F827-I844 HydrophobicContact CE2-CD1 3.73Å; L839-I844 HydrophobicContact CD2-CD1 4.3Å; L839-I844 HydrophobicContact CD2-CG1 3.67Å; L839-I844 HydrophobicContact CG-CG1 4.18Å; G840-I844 PolarHBondContact O-N 2.91Å; S841-I844 PolarHBondContact O-N 2.94Å; I844-C846 PolarHBondContact O-N 3.38Å; I844-I847 WeakPolarHBondContact O-CA 3.37Å; I844-I847 VanDerWaalsContact O-CB 3.31Å; I844-I847 WeakPolarHBondContact O-CB 3.25Å; I844-I847 PolarHBondContact O-N 3.17Å; I844-D848 VanDerWaalsContact CG2-OD2 3.29Å; I844-D848 WeakPolarHBondContact CG2-OD2 3.23Å; I844-D848 PolarHBondContact O-N 2.93Å
845	L	86.9	Confident	90.6	Very high	18 Å²	18	20.6 Å²	20.6	9%	0.094	11%	0.112	C	C	.	.	H	α-helix	trans	-60	-22.5	178.1	-67.1	168.5	0	0	0	114.1	L149 V152 S841 I847 L849	L149-L845 HydrophobicContact CD1-CD1 3.75Å; V152-L845 HydrophobicContact CG1-CD1 3.86Å; S841-L845 WeakPolarHBondContact O-CG 3.37Å; S841-L845 PolarHBondContact O-N 3.4Å; S841-L845 VanDerWaalsContact O-N 3.16Å; L845-I847 VanDerWaalsContact C-N 3.32Å; L845-L849 HydrophobicContact CD2-CD1 4.04Å; L845-L849 WeakPolarHBondContact O-CB 3.43Å; L845-L849 PolarHBondContact O-N 3Å
846	C	91.1	Very high	90.7	Very high	15 Å²	15	20.5 Å²	20.5	10%	0.101	11%	0.112	C	C	.	.	H	α-helix	trans	-75.7	-19.3	172.4	-65.5	0	0	0	0	113.4	V842 T843 I844 G850 T851 F960 L1005 M1017	V842-C846 PolarHBondContact O-N 3.43Å; V842-C846 PolarHBondContact O-SG 2.82Å; T843-C846 PolarHBondContact O-N 3.35Å; I844-C846 PolarHBondContact O-N 3.38Å; C846-G850 VanDerWaalsContact O-CA 3.25Å; C846-G850 WeakPolarHBondContact O-CA 3.39Å; C846-T851 PolarHBondContact O-N 3.36Å; C846-F960 HydrophobicContact CB-CE2 4.12Å; C846-L1005 HydrophobicContact CB-CD1 4.35Å; C846-M1017 HydrophobicContact CB-CE 3.69Å
847	I	92.4	Very high	90.8	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.119	C	C	.	.	I	π-helix	trans	-82.6	-68.1	174.1	-59.1	162.9	0	0	0	108.3	E823 T843 I844 L845 L849 G850 T851 D852 F960 I963	E823-I847 HydrophobicContact CG-CD1 4.3Å; E823-I847 WeakPolarHBondContact OE1-CG2 3.49Å; T843-I847 WeakPolarHBondContact O-CG1 3.39Å; T843-I847 PolarHBondContact O-N 2.86Å; I844-I847 WeakPolarHBondContact O-CA 3.37Å; I844-I847 VanDerWaalsContact O-CB 3.31Å; I844-I847 WeakPolarHBondContact O-CB 3.25Å; I844-I847 PolarHBondContact O-N 3.17Å; L845-I847 VanDerWaalsContact C-N 3.32Å; I847-L849 VanDerWaalsContact C-N 3.33Å; I847-L849 PolarHBondContact O-N 2.95Å; I847-G850 PolarHBondContact O-N 2.77Å; I847-G850 VanDerWaalsContact O-N 3.15Å; I847-T851 WeakPolarHBondContact CA-OG1 3.49Å; I847-T851 PolarHBondContact O-N 3.22Å; I847-D852 HydrophobicContact CG2-CB 4.4Å; I847-D852 VanDerWaalsContact CG2-CG 3.49Å; I847-D852 WeakPolarHBondContact CG2-OD1 3.23Å; I847-D852 PolarHBondContact O-N 3.39Å; I847-D852 VanDerWaalsContact O-N 3.14Å; I847-F960 HydrophobicContact CD1-CD2 4.04Å; I847-F960 HydrophobicContact CG1-CD2 3.56Å; I847-F960 HydrophobicContact CG1-CE2 3.75Å; I847-I963 HydrophobicContact CD1-CB 4.32Å; I847-I963 HydrophobicContact CD1-CD1 3.51Å; I847-I963 HydrophobicContact CD1-CG2 4.16Å; I847-I963 HydrophobicContact CG2-CG2 4.32Å
848	D	90.4	Very high	91	Very high	5 Å²	5	21 Å²	21	3%	0.027	11%	0.114	C	C	.	.	I	π-helix	trans	-55.5	-40	-173.9	-69.7	-75.6	0	0	0	114.8	G353 I844	G353-D848 WeakPolarHBondContact CA-O 3.21Å; I844-D848 VanDerWaalsContact CG2-OD2 3.29Å; I844-D848 WeakPolarHBondContact CG2-OD2 3.23Å; I844-D848 PolarHBondContact O-N 2.93Å
849	L	88.7	Confident	91.1	Very high	62 Å²	62	21 Å²	21	33%	0.325	11%	0.114	S	C	.	.	I	π-helix	trans	-105.9	-0.5	-176.2	-57.1	171.5	0	0	0	112.9	V156 E352 L845 I847	V156-L849 HydrophobicContact CG1-CD1 4.45Å; V156-L849 HydrophobicContact CG2-CD1 3.48Å; V156-L849 VanDerWaalsContact CG2-CD1 3.48Å; E352-L849 HydrophobicContact CB-CD2 3.96Å; E352-L849 HydrophobicContact CB-CG 4.37Å; L845-L849 HydrophobicContact CD2-CD1 4.04Å; L845-L849 WeakPolarHBondContact O-CB 3.43Å; L845-L849 PolarHBondContact O-N 3Å; I847-L849 VanDerWaalsContact C-N 3.33Å; I847-L849 PolarHBondContact O-N 2.95Å
850	G	91.4	Very high	91.2	Very high	20 Å²	20	21.2 Å²	21.2	21%	0.206	12%	0.116	C	C	.	.	I	π-helix	trans	-124.9	-85.8	-171.6	0	0	0	0	0	112.9	C846 I847	C846-G850 VanDerWaalsContact O-CA 3.25Å; C846-G850 WeakPolarHBondContact O-CA 3.39Å; I847-G850 PolarHBondContact O-N 2.77Å; I847-G850 VanDerWaalsContact O-N 3.15Å
851	T	94	Very high	91.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.131	C	C	.	.	I	π-helix	trans	-65.4	-44.1	-172.9	51.1	0	0	0	0	112.5	C846 I847 P855 F960 V964 L1001 A1002	C846-T851 PolarHBondContact O-N 3.36Å; I847-T851 WeakPolarHBondContact CA-OG1 3.49Å; I847-T851 PolarHBondContact O-N 3.22Å; T851-P855 WeakPolarHBondContact O-CD 3.43Å; T851-P855 WeakPolarHBondContact O-CG 3.42Å; T851-F960 HydrophobicContact CG2-CE2 4.01Å; T851-F960 HydrophobicContact CG2-CZ 3.75Å; T851-V964 HydrophobicContact CG2-CG2 3.96Å; T851-L1001 HydrophobicContact CG2-CD2 4.34Å; T851-A1002 HydrophobicContact CG2-CB 4.44Å
852	D	93.7	Very high	92.1	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.021	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-18.4	-163.8	-69.5	34.1	0	0	0	112.4	Y815 I847 W854 P855 A856 Q967	Y815-D852 HydrophobicContact CE1-CB 4.01Å; I847-D852 HydrophobicContact CG2-CB 4.4Å; I847-D852 VanDerWaalsContact CG2-CG 3.49Å; I847-D852 WeakPolarHBondContact CG2-OD1 3.23Å; I847-D852 PolarHBondContact O-N 3.39Å; I847-D852 VanDerWaalsContact O-N 3.14Å; D852-W854 PolarHBondContact O-N 3.49Å; D852-P855 WeakPolarHBondContact O-CD 3.34Å; D852-A856 WeakPolarHBondContact O-CB 3.36Å; D852-A856 PolarHBondContact O-N 2.94Å; D852-Q967 PolarHBondContact OD2-NE2 3.38Å
853	L	91.3	Very high	92.5	Very high	52 Å²	52	27.3 Å²	27.3	27%	0.272	13%	0.132	S	C	.	.	H	α-helix	trans	-57.1	-47.4	-178.9	-176.6	64	0	0	0	112.7	T357 I857	T357-L853 WeakPolarHBondContact OG1-CD1 3.38Å; L853-I857 HydrophobicContact CD1-CD1 4.02Å; L853-I857 HydrophobicContact CG-CD1 4.04Å; L853-I857 WeakPolarHBondContact O-CB 3.45Å; L853-I857 VanDerWaalsContact O-CD1 3.31Å; L853-I857 WeakPolarHBondContact O-CD1 3.39Å; L853-I857 WeakPolarHBondContact O-CG1 3.38Å; L853-I857 PolarHBondContact O-N 3.49Å; L853-I857 VanDerWaalsContact O-N 3.1Å
854	W	94.4	Very high	92.7	Very high	126 Å²	126	29 Å²	29	48%	0.477	15%	0.146	S	C	.	.	H	α-helix	trans	-72.4	-49.1	-179.8	-171.7	-58.2	0	0	0	112.7	D852 A856 I857 S858 T990 F997	D852-W854 PolarHBondContact O-N 3.49Å; W854-A856 VanDerWaalsContact C-N 3.32Å; W854-A856 PolarHBondContact O-N 3.47Å; W854-I857 PolarHBondContact O-N 3.09Å; W854-S858 WeakPolarHBondContact O-CB 3.43Å; W854-S858 PolarHBondContact O-N 3.4Å; W854-T990 PolarHBondContact NE1-O 2.93Å; W854-F997 HydrophobicContact CB-CD1 4.07Å; W854-F997 HydrophobicContact CB-CE1 4.39Å; W854-F997 HydrophobicContact CG-CD1 4.34Å
855	P	94.8	Very high	92.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-48.2	-49.3	168.6	-31.7	38.1	0	0	0	113.5	Y815 T851 D852 I857 S858 L859 L971 E998	Y815-P855 HydrophobicContact CE1-CB 3.7Å; Y815-P855 VanDerWaalsContact OH-CB 3.23Å; Y815-P855 WeakPolarHBondContact OH-CB 3.41Å; T851-P855 WeakPolarHBondContact O-CD 3.43Å; T851-P855 WeakPolarHBondContact O-CG 3.42Å; D852-P855 WeakPolarHBondContact O-CD 3.34Å; P855-I857 PolarHBondContact O-N 2.79Å; P855-S858 WeakPolarHBondContact O-CB 3.27Å; P855-S858 PolarHBondContact O-N 2.76Å; P855-S858 VanDerWaalsContact O-N 3.08Å; P855-S858 PolarHBondContact O-OG 2.99Å; P855-L859 PolarHBondContact O-N 3.1Å; P855-L971 HydrophobicContact CB-CD1 3.82Å; P855-L971 HydrophobicContact CB-CD2 3.81Å; P855-L971 HydrophobicContact CB-CG 4.37Å; P855-L971 HydrophobicContact CG-CD2 4.5Å; P855-E998 HydrophobicContact CG-CB 4.1Å; P855-E998 HydrophobicContact CG-CG 4.15Å
856	A	94.8	Very high	92.9	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.008	18%	0.176	C	C	.	.	H	α-helix	trans	-62.6	-39.8	-179.6	0	0	0	0	0	112.7	T357 S812 Y815 D852 W854	T357-A856 HydrophobicContact CG2-CB 3.76Å; S812-A856 WeakPolarHBondContact CB-O 3.38Å; S812-A856 PolarHBondContact OG-O 2.9Å; Y815-A856 HydrophobicContact CD1-CB 3.8Å; Y815-A856 HydrophobicContact CE1-CB 3.99Å; D852-A856 WeakPolarHBondContact O-CB 3.36Å; D852-A856 PolarHBondContact O-N 2.94Å; W854-A856 VanDerWaalsContact C-N 3.32Å; W854-A856 PolarHBondContact O-N 3.47Å
857	I	94.4	Very high	92.9	Very high	31 Å²	31	36.6 Å²	36.6	16%	0.159	19%	0.191	C	C	.	.	H	α-helix	trans	-67.3	-36.6	173.4	-69.2	163.9	0	0	0	111.4	T357 V360 L364 L853 W854 P855 L859 A860	T357-I857 HydrophobicContact CG2-CG1 4.04Å; V360-I857 HydrophobicContact CB-CD1 4.15Å; V360-I857 HydrophobicContact CB-CG1 4.27Å; V360-I857 HydrophobicContact CG1-CD1 3.99Å; V360-I857 HydrophobicContact CG1-CG1 4.17Å; V360-I857 HydrophobicContact CG1-CG2 3.79Å; V360-I857 HydrophobicContact CG2-CD1 4.38Å; L364-I857 HydrophobicContact CD1-CG2 3.88Å; L853-I857 HydrophobicContact CD1-CD1 4.02Å; L853-I857 HydrophobicContact CG-CD1 4.04Å; L853-I857 WeakPolarHBondContact O-CB 3.45Å; L853-I857 VanDerWaalsContact O-CD1 3.31Å; L853-I857 WeakPolarHBondContact O-CD1 3.39Å; L853-I857 WeakPolarHBondContact O-CG1 3.38Å; L853-I857 PolarHBondContact O-N 3.49Å; L853-I857 VanDerWaalsContact O-N 3.1Å; W854-I857 PolarHBondContact O-N 3.09Å; P855-I857 PolarHBondContact O-N 2.79Å; I857-L859 PolarHBondContact O-N 3.29Å; I857-A860 VanDerWaalsContact O-CB 3.26Å; I857-A860 WeakPolarHBondContact O-CB 3.32Å; I857-A860 PolarHBondContact O-N 3.41Å
858	S	95.6	Very high	92.9	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.014	19%	0.193	C	C	.	.	H	α-helix	trans	-63	-26.3	-177.7	80.9	0	0	0	0	113.7	W854 P855 A860 Y861 N988 L991	W854-S858 WeakPolarHBondContact O-CB 3.43Å; W854-S858 PolarHBondContact O-N 3.4Å; P855-S858 WeakPolarHBondContact O-CB 3.27Å; P855-S858 PolarHBondContact O-N 2.76Å; P855-S858 VanDerWaalsContact O-N 3.08Å; P855-S858 PolarHBondContact O-OG 2.99Å; S858-A860 PolarHBondContact O-N 3.39Å; S858-Y861 WeakPolarHBondContact O-CB 3.2Å; S858-Y861 PolarHBondContact O-N 3.31Å; S858-Y861 VanDerWaalsContact O-N 3.11Å; S858-N988 PolarHBondContact O-ND2 3.08Å; S858-L991 WeakPolarHBondContact OG-CA 3.48Å; S858-L991 WeakPolarHBondContact OG-CB 3.42Å
859	L	95	Very high	93	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-65.7	-18.7	174.5	-70.5	167.6	0	0	0	113	N808 K811 Y815 P855 I857 Y861 E862 L971 L991	N808-L859 WeakPolarHBondContact CB-O 3.31Å; K811-L859 HydrophobicContact CB-CB 4.48Å; K811-L859 HydrophobicContact CB-CD1 4.38Å; K811-L859 HydrophobicContact CB-CD2 4.46Å; Y815-L859 HydrophobicContact CG-CD1 4.23Å; P855-L859 PolarHBondContact O-N 3.1Å; I857-L859 PolarHBondContact O-N 3.29Å; L859-Y861 PolarHBondContact O-N 2.93Å; L859-E862 HydrophobicContact CD2-CG 4.27Å; L859-E862 WeakPolarHBondContact O-CB 3.13Å; L859-E862 WeakPolarHBondContact O-CG 3.24Å; L859-E862 PolarHBondContact O-N 3.02Å; L859-L971 HydrophobicContact CD1-CD1 3.82Å; L859-L971 HydrophobicContact CD2-CD1 4.06Å; L859-L971 HydrophobicContact CG-CD1 3.77Å; L859-L991 HydrophobicContact CD2-CD1 4.02Å
860	A	93.4	Very high	93.1	Very high	5 Å²	5	42.7 Å²	42.7	4%	0.041	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-66.6	-24.7	171.9	0	0	0	0	0	113.3	C361 I805 N808 I857 S858 E862	C361-A860 HydrophobicContact CB-CB 3.9Å; I805-A860 HydrophobicContact CD1-CB 4.33Å; N808-A860 PolarHBondContact ND2-O 3.14Å; N808-A860 VanDerWaalsContact ND2-O 3.15Å; I857-A860 VanDerWaalsContact O-CB 3.26Å; I857-A860 WeakPolarHBondContact O-CB 3.32Å; I857-A860 PolarHBondContact O-N 3.41Å; S858-A860 PolarHBondContact O-N 3.39Å; A860-E862 VanDerWaalsContact C-N 3.26Å; A860-E862 PolarHBondContact O-N 3.3Å
861	Y	93.9	Very high	93.1	Very high	98 Å²	98	45.7 Å²	45.7	38%	0.384	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-81.3	-0.3	177.1	-74.8	-87.3	0	0	0	113.9	L364 S858 L859 T990	L364-Y861 HydrophobicContact CD1-CD2 4.45Å; L364-Y861 HydrophobicContact CD1-CE2 3.63Å; L364-Y861 WeakPolarHBondContact CD2-OH 3.4Å; S858-Y861 WeakPolarHBondContact O-CB 3.2Å; S858-Y861 PolarHBondContact O-N 3.31Å; S858-Y861 VanDerWaalsContact O-N 3.11Å; L859-Y861 PolarHBondContact O-N 2.93Å; Y861-T990 HydrophobicContact CD1-CG2 4.25Å; Y861-T990 HydrophobicContact CD2-CG2 3.95Å; Y861-T990 WeakPolarHBondContact CD2-OG1 3.47Å; Y861-T990 HydrophobicContact CE1-CG2 4.39Å; Y861-T990 HydrophobicContact CE2-CG2 4.07Å; Y861-T990 HydrophobicContact CG-CG2 4.03Å
862	E	94.2	Very high	93	Very high	3 Å²	3	53.9 Å²	53.9	1%	0.014	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-64	142.9	177.6	-74.6	-58.3	132.8	0	0	113	N808 L859 A860 K975 N988	N808-E862 PolarHBondContact ND2-O 2.89Å; L859-E862 HydrophobicContact CD2-CG 4.27Å; L859-E862 WeakPolarHBondContact O-CB 3.13Å; L859-E862 WeakPolarHBondContact O-CG 3.24Å; L859-E862 PolarHBondContact O-N 3.02Å; A860-E862 VanDerWaalsContact C-N 3.26Å; A860-E862 PolarHBondContact O-N 3.3Å; E862-K975 HydrophobicContact CG-CG 4.38Å; E862-K975 IonicContact OE1-NZ 2.71Å; E862-K975 PolarHBondContact OE1-NZ 2.63Å; E862-K975 WeakPolarHBondContact OE2-CG 3.46Å; E862-K975 IonicContact OE2-NZ 3.13Å; E862-K975 PolarHBondContact OE2-NZ 3.35Å; E862-N988 WeakPolarHBondContact OE1-CB 3.33Å; E862-N988 PolarHBondContact OE1-ND2 2.88Å
863	E	93.2	Very high	93.1	Very high	126 Å²	126	54.8 Å²	54.8	59%	0.589	26%	0.263	S	S	*	.	P	Polyproline II helix	trans	-84.5	165.1	175.1	-66	178.3	169.8	0	0	110.9
864	A	93.2	Very high	93.1	Very high	40 Å²	40	53.9 Å²	53.9	33%	0.331	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-64.9	136.9	178.8	0	0	0	0	0	111.6	L804 S866 I868 Q984	L804-A864 HydrophobicContact CD1-CB 4.17Å; A864-S866 VanDerWaalsContact C-N 3.29Å; A864-S866 WeakPolarHBondContact CB-O 3.26Å; A864-I868 HydrophobicContact CB-CD1 4.2Å; A864-I868 HydrophobicContact CB-CG1 4.33Å; A864-I868 HydrophobicContact CB-CG2 4.14Å; A864-Q984 PolarHBondContact O-NE2 2.74Å
865	E	91.1	Very high	93	Very high	34 Å²	34	50.4 Å²	50.4	16%	0.159	25%	0.247	C	C	.	.	S	Bend	trans	-77.7	-15.2	175.3	-74.4	178.3	-119.2	0	0	112.9	K811 T976 R977 R978 N979	K811-E865 WeakPolarHBondContact CE-OE1 3.24Å; K811-E865 IonicContact NZ-OE1 3.46Å; K811-E865 PolarHBondContact NZ-OE1 2.75Å; K811-E865 VanDerWaalsContact NZ-OE1 3.08Å; E865-T976 HydrophobicContact CG-CG2 4.11Å; E865-T976 WeakPolarHBondContact OE1-CA 3.41Å; E865-R977 VanDerWaalsContact CD-N 3.31Å; E865-R977 PolarHBondContact OE1-N 3.45Å; E865-R977 PolarHBondContact OE2-N 3.12Å; E865-R978 PolarHBondContact OE2-N 3.09Å; E865-N979 WeakPolarHBondContact CA-ND2 3.35Å; E865-N979 HydrophobicContact CG-CB 4.35Å; E865-N979 PolarHBondContact O-ND2 3.23Å; E865-N979 PolarHBondContact OE2-N 2.72Å
866	S	89.8	Confident	92.7	Very high	82 Å²	82	52.2 Å²	52.2	57%	0.573	26%	0.258	S	S	*	.	S	Bend	trans	-160.3	175.2	179	54.6	0	0	0	0	109.9	A864 I868	A864-S866 VanDerWaalsContact C-N 3.29Å; A864-S866 WeakPolarHBondContact CB-O 3.26Å; S866-I868 PolarHBondContact O-N 3.1Å
867	D	91.8	Very high	92.3	Very high	78 Å²	78	59.6 Å²	59.6	42%	0.417	29%	0.293	S	S	.	.			trans	-67.5	91.9	177.9	-171.8	-25.1	0	0	0	111.9	M869 K870	D867-M869 PolarHBondContact O-N 2.65Å; D867-M869 WeakPolarHBondContact OD1-CA 3.37Å; D867-M869 PolarHBondContact OD1-N 2.7Å; D867-K870 HydrophobicContact CB-CB 4.44Å; D867-K870 HydrophobicContact CB-CD 4.36Å; D867-K870 HydrophobicContact CB-CG 4.39Å; D867-K870 PolarHBondContact O-N 3.36Å; D867-K870 VanDerWaalsContact O-N 3.16Å; D867-K870 PolarHBondContact OD1-N 3.42Å; D867-K870 WeakPolarHBondContact OD2-CD 3.36Å; D867-K870 WeakPolarHBondContact OD2-CE 3.41Å; D867-K870 WeakPolarHBondContact OD2-CG 3.4Å; D867-K870 IonicContact OD2-NZ 2.67Å; D867-K870 PolarHBondContact OD2-NZ 2.99Å
868	I	92.3	Very high	92	Very high	6 Å²	6	67.8 Å²	67.8	3%	0.031	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-6.7	179.5	57.6	175.9	0	0	0	113.7	E800 R803 L804 A864 S866 R871	E800-I868 HydrophobicContact CG-CD1 3.89Å; E800-I868 HydrophobicContact CG-CG1 4.21Å; E800-I868 VanDerWaalsContact O-CD1 3.28Å; E800-I868 WeakPolarHBondContact O-CD1 3.09Å; R803-I868 HydrophobicContact CB-CB 4.39Å; R803-I868 HydrophobicContact CB-CD1 4.04Å; R803-I868 WeakPolarHBondContact CD-O 3.24Å; R803-I868 PolarHBondContact NH1-O 2.89Å; L804-I868 HydrophobicContact CB-CD1 3.95Å; A864-I868 HydrophobicContact CB-CD1 4.2Å; A864-I868 HydrophobicContact CB-CG1 4.33Å; A864-I868 HydrophobicContact CB-CG2 4.14Å; S866-I868 PolarHBondContact O-N 3.1Å; I868-R871 WeakPolarHBondContact O-CG 3.21Å
869	M	91.8	Very high	91.7	Very high	29 Å²	29	71.3 Å²	71.3	14%	0.143	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-7.3	174.3	-63.3	-55.9	-69.7	0	0	112.9	A646 V796 V799 E800 D867	A646-M869 WeakPolarHBondContact CA-O 3.03Å; A646-M869 HydrophobicContact CB-CE 4.01Å; A646-M869 WeakPolarHBondContact CB-O 3.25Å; A646-M869 PolarHBondContact N-O 2.87Å; V796-M869 HydrophobicContact CG1-CE 3.52Å; V799-M869 HydrophobicContact CB-CE 4.37Å; V799-M869 HydrophobicContact CG1-CE 4.05Å; V799-M869 HydrophobicContact CG1-SD 4.07Å; E800-M869 HydrophobicContact CB-CG 4.34Å; E800-M869 HydrophobicContact CB-SD 3.81Å; E800-M869 HydrophobicContact CG-CG 4.27Å; E800-M869 HydrophobicContact CG-SD 4.31Å; D867-M869 PolarHBondContact O-N 2.65Å; D867-M869 WeakPolarHBondContact OD1-CA 3.37Å; D867-M869 PolarHBondContact OD1-N 2.7Å
870	K	91.4	Very high	91.5	Very high	159 Å²	159	73.5 Å²	73.5	69%	0.691	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-14.4	169.8	-72.9	-174.9	176.7	97.4	0	114.6	D867	D867-K870 HydrophobicContact CB-CB 4.44Å; D867-K870 HydrophobicContact CB-CD 4.36Å; D867-K870 HydrophobicContact CB-CG 4.39Å; D867-K870 PolarHBondContact O-N 3.36Å; D867-K870 VanDerWaalsContact O-N 3.16Å; D867-K870 PolarHBondContact OD1-N 3.42Å; D867-K870 WeakPolarHBondContact OD2-CD 3.36Å; D867-K870 WeakPolarHBondContact OD2-CE 3.41Å; D867-K870 WeakPolarHBondContact OD2-CG 3.4Å; D867-K870 IonicContact OD2-NZ 2.67Å; D867-K870 PolarHBondContact OD2-NZ 2.99Å
871	R	90.6	Very high	91.5	Very high	83 Å²	83	73.4 Å²	73.4	31%	0.313	35%	0.349	S	S	.	.	S	Bend	trans	-78.6	153.5	173.6	68.3	177.8	-177.2	-161.9	2.4	111.3	A646 R803 D807 I868	A646-R871 CarbonylContact C-O 3.43Å; R803-R871 PolarHBondContact NH1-O 2.73Å; R803-R871 PolarHBondContact O-NH2 2.88Å; R803-R871 VanDerWaalsContact O-NH2 3.08Å; D807-R871 IonicContact OD1-NH1 3.09Å; D807-R871 IonicContact OD1-NH2 3.44Å; D807-R871 IonicContact OD2-CZ 2.89Å; D807-R871 IonicContact OD2-NH1 3.49Å; D807-R871 PolarHBondContact OD2-NH1 2.93Å; D807-R871 IonicContact OD2-NH2 3.14Å; D807-R871 PolarHBondContact OD2-NH2 3.36Å; I868-R871 WeakPolarHBondContact O-CG 3.21Å
872	K	93.3	Very high	91.4	Very high	172 Å²	172	68.7 Å²	68.7	75%	0.748	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-66.6	161.3	168.7	-68	-171.9	177.3	-173.3	0	111
873	P	94.1	Very high	91.2	Very high	24 Å²	24	69.8 Å²	69.8	16%	0.156	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-56.8	151.5	167.1	-19.4	33	0	0	0	110.7	T388 A646 G647 I648	T388-P873 WeakPolarHBondContact O-CB 3.49Å; T388-P873 WeakPolarHBondContact O-CG 3.23Å; A646-P873 WeakPolarHBondContact O-CD 3.48Å; G647-P873 WeakPolarHBondContact O-CD 3.47Å; I648-P873 HydrophobicContact CG1-CG 4.05Å
874	R	93.1	Very high	91	Very high	32 Å²	32	72.2 Å²	72.2	12%	0.121	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-68.5	146.6	178.8	76.2	172.1	176.5	108.1	-2.8	111.1	E305 E383 S387 F806 P876 D879	E305-R874 IonicContact OE1-CZ 2.69Å; E305-R874 IonicContact OE1-NH1 3.15Å; E305-R874 PolarHBondContact OE1-NH1 3.44Å; E383-R874 IonicContact OE1-CZ 3.08Å; E383-R874 IonicContact OE1-NE 3.44Å; E383-R874 PolarHBondContact OE1-NE 2.82Å; E383-R874 IonicContact OE1-NH2 3.39Å; E383-R874 PolarHBondContact OE1-NH2 3.01Å; E383-R874 IonicContact OE2-NH2 2.7Å; S387-R874 PolarHBondContact OG-NE 3.31Å; F806-R874 VanDerWaalsContact CZ-CD 3.48Å; R874-P876 WeakPolarHBondContact O-CD 3.08Å; R874-D879 HydrophobicContact CB-CB 3.85Å; R874-D879 PolarHBondContact NH1-O 3.1Å; R874-D879 VanDerWaalsContact NH1-O 3.09Å
875	D	91.5	Very high	91	Very high	54 Å²	54	75 Å²	75	29%	0.289	35%	0.349	S	S	.	.			trans	-79.4	113.4	170.2	177.8	-22.2	0	0	0	108.7	Q877 R878 D879	D875-Q877 PolarHBondContact O-N 3.23Å; D875-Q877 WeakPolarHBondContact OD1-CA 3.45Å; D875-Q877 WeakPolarHBondContact OD1-CB 3.32Å; D875-Q877 PolarHBondContact OD1-N 3.31Å; D875-R878 HydrophobicContact CB-CB 4.15Å; D875-R878 PolarHBondContact O-N 2.8Å; D875-R878 PolarHBondContact OD1-N 2.84Å; D875-R878 VanDerWaalsContact OD2-CD 3.23Å; D875-R878 WeakPolarHBondContact OD2-CD 3.33Å; D875-R878 WeakPolarHBondContact OD2-CG 3.32Å; D875-R878 IonicContact OD2-NE 2.84Å; D875-D879 PolarHBondContact N-OD2 3.1Å; D875-D879 WeakPolarHBondContact O-CA 3.25Å; D875-D879 WeakPolarHBondContact O-CB 3.31Å; D875-D879 PolarHBondContact O-N 3.08Å
876	P	87.8	Confident	91.1	Very high	38 Å²	38	73.4 Å²	73.4	25%	0.247	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-10.6	-175.9	28.9	-36.1	0	0	0	113.7	I748 R874 K880	I748-P876 HydrophobicContact CD1-CB 4.49Å; I748-P876 HydrophobicContact CD1-CG 4.4Å; R874-P876 WeakPolarHBondContact O-CD 3.08Å; P876-K880 WeakPolarHBondContact O-CE 3.44Å; P876-K880 PolarHBondContact O-NZ 2.98Å
877	Q	86.2	Confident	91.2	Very high	156 Å²	156	71 Å²	71	73%	0.729	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-37.1	173.4	-58.6	-172.6	5.1	0	0	112.4	D875	D875-Q877 PolarHBondContact O-N 3.23Å; D875-Q877 WeakPolarHBondContact OD1-CA 3.45Å; D875-Q877 WeakPolarHBondContact OD1-CB 3.32Å; D875-Q877 PolarHBondContact OD1-N 3.31Å
878	R	87.8	Confident	91.2	Very high	202 Å²	202	69.7 Å²	69.7	76%	0.762	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-43	-174	-61.9	-179.7	178.6	178.3	-0.6	113.8	D875 K880	D875-R878 HydrophobicContact CB-CB 4.15Å; D875-R878 PolarHBondContact O-N 2.8Å; D875-R878 PolarHBondContact OD1-N 2.84Å; D875-R878 VanDerWaalsContact OD2-CD 3.23Å; D875-R878 WeakPolarHBondContact OD2-CD 3.33Å; D875-R878 WeakPolarHBondContact OD2-CG 3.32Å; D875-R878 IonicContact OD2-NE 2.84Å; R878-K880 VanDerWaalsContact C-N 3.27Å; R878-K880 PolarHBondContact O-N 2.68Å
879	D	89.9	Confident	91.2	Very high	77 Å²	77	69.6 Å²	69.6	41%	0.412	32%	0.319	S	S	.	.	S	Bend	trans	-90	65.8	-173.9	-62.3	-41.6	0	0	0	110.3	R874 D875	R874-D879 HydrophobicContact CB-CB 3.85Å; R874-D879 PolarHBondContact NH1-O 3.1Å; R874-D879 VanDerWaalsContact NH1-O 3.09Å; D875-D879 PolarHBondContact N-OD2 3.1Å; D875-D879 WeakPolarHBondContact O-CA 3.25Å; D875-D879 WeakPolarHBondContact O-CB 3.31Å; D875-D879 PolarHBondContact O-N 3.08Å
880	K	91.4	Very high	91.3	Very high	46 Å²	46	68.4 Å²	68.4	20%	0.2	31%	0.313	C	S	.	.			trans	-67.5	150.8	177.2	-63.5	-53.1	-166.1	-177.8	0	112.7	E305 K810 P876 R878 V882 N883	E305-K880 WeakPolarHBondContact OE1-CD 3.47Å; E305-K880 IonicContact OE1-NZ 2.7Å; E305-K880 PolarHBondContact OE1-NZ 2.7Å; E305-K880 VanDerWaalsContact OE1-NZ 3.1Å; E305-K880 VanDerWaalsContact OE2-CA 3.3Å; E305-K880 WeakPolarHBondContact OE2-CA 3.38Å; E305-K880 VanDerWaalsContact OE2-CD 3.28Å; E305-K880 WeakPolarHBondContact OE2-CD 3.47Å; K810-K880 WeakPolarHBondContact CE-O 3.46Å; K810-K880 PolarHBondContact NZ-O 3.44Å; P876-K880 WeakPolarHBondContact O-CE 3.44Å; P876-K880 PolarHBondContact O-NZ 2.98Å; R878-K880 VanDerWaalsContact C-N 3.27Å; R878-K880 PolarHBondContact O-N 2.68Å; K880-V882 WeakPolarHBondContact CB-O 3.43Å; K880-N883 HydrophobicContact CB-CB 4.47Å
881	L	92.2	Very high	91.3	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.01	28%	0.284	C	S	.	.	S	Bend	trans	-64.4	-50.6	175.1	-176.7	67.9	0	0	0	110.2	I302 E305 F806 L809 K810 I813	I302-L881 HydrophobicContact CD1-CD2 3.91Å; E305-L881 HydrophobicContact CB-CB 3.75Å; E305-L881 HydrophobicContact CB-CD2 4.1Å; E305-L881 HydrophobicContact CG-CB 4.06Å; E305-L881 PolarHBondContact OE2-N 3.04Å; F806-L881 HydrophobicContact CD2-CD1 3.96Å; F806-L881 HydrophobicContact CE2-CB 3.97Å; F806-L881 HydrophobicContact CE2-CD1 3.73Å; F806-L881 HydrophobicContact CE2-CG 4.44Å; F806-L881 HydrophobicContact CZ-CB 4.22Å; F806-L881 HydrophobicContact CZ-CD1 4.21Å; L809-L881 HydrophobicContact CB-CD1 4.01Å; K810-L881 VanDerWaalsContact CE-O 3.24Å; K810-L881 WeakPolarHBondContact CE-O 3.21Å; K810-L881 HydrophobicContact CG-CD1 3.94Å; K810-L881 WeakPolarHBondContact CG-O 3.19Å; I813-L881 HydrophobicContact CD1-CD1 4.19Å; I813-L881 HydrophobicContact CD1-CD2 3.59Å; I813-L881 HydrophobicContact CD1-CG 3.76Å
882	V	91.8	Very high	91.3	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.289	C	S	.	.	S	Bend	trans	-111.8	119.8	169	-179.6	0	0	0	0	108.1	F309 I813 K880 L886 I887	F309-V882 HydrophobicContact CB-CB 4.36Å; F309-V882 HydrophobicContact CB-CG2 4.17Å; F309-V882 HydrophobicContact CD2-CB 3.95Å; F309-V882 HydrophobicContact CD2-CG1 4.08Å; F309-V882 HydrophobicContact CD2-CG2 3.52Å; F309-V882 HydrophobicContact CE2-CG2 4.15Å; F309-V882 HydrophobicContact CG-CG2 3.99Å; I813-V882 HydrophobicContact CD1-CG2 4.4Å; I813-V882 HydrophobicContact CG2-CG2 3.66Å; K880-V882 WeakPolarHBondContact CB-O 3.43Å; V882-L886 HydrophobicContact CG1-CD2 4.41Å; V882-L886 HydrophobicContact CG2-CD1 4.45Å; V882-I887 HydrophobicContact CG1-CD1 3.98Å; V882-I887 HydrophobicContact CG1-CG1 3.93Å
883	N	90.6	Very high	91.4	Very high	26 Å²	26	54.2 Å²	54.2	14%	0.139	27%	0.266	C	S	.	.			trans	-120.4	167.7	178	57.8	25.6	0	0	0	109.9	K880 R885 L886 I887 Y1060	K880-N883 HydrophobicContact CB-CB 4.47Å; N883-R885 PolarHBondContact O-N 3.07Å; N883-R885 VanDerWaalsContact O-N 3.11Å; N883-R885 WeakPolarHBondContact OD1-CB 3.16Å; N883-R885 PolarHBondContact OD1-N 3.1Å; N883-L886 WeakPolarHBondContact O-CB 3.29Å; N883-L886 PolarHBondContact O-N 3.06Å; N883-L886 WeakPolarHBondContact OD1-CB 3.45Å; N883-L886 PolarHBondContact OD1-N 3.39Å; N883-I887 PolarHBondContact O-N 3.28Å; N883-Y1060 PolarHBondContact ND2-OXT 3.3Å
884	E	89.7	Confident	91.5	Very high	176 Å²	176	53.3 Å²	53.3	82%	0.822	26%	0.26	S	S	*	.	H	α-helix	trans	-56.5	-28.8	179.4	-63.3	174.9	173.6	0	0	112.6	S888	E884-S888 WeakPolarHBondContact O-CB 3.4Å; E884-S888 PolarHBondContact O-N 3.02Å
885	R	92.5	Very high	91.6	Very high	98 Å²	98	51.8 Å²	51.8	37%	0.37	25%	0.254	S	S	.	.	H	α-helix	trans	-68.2	-41.5	176.9	-54.3	-179.3	-178	153.8	4.6	112.7	N883 S888 L889 K1056 E1057 Y1059	N883-R885 PolarHBondContact O-N 3.07Å; N883-R885 VanDerWaalsContact O-N 3.11Å; N883-R885 WeakPolarHBondContact OD1-CB 3.16Å; N883-R885 PolarHBondContact OD1-N 3.1Å; R885-S888 PolarHBondContact O-N 2.96Å; R885-L889 WeakPolarHBondContact O-CB 3.35Å; R885-L889 PolarHBondContact O-N 3.05Å; R885-K1056 PolarHBondContact NE-O 2.91Å; R885-K1056 PolarHBondContact NH2-O 3.3Å; R885-E1057 VanDerWaalsContact CB-O 3.28Å; R885-E1057 WeakPolarHBondContact CB-O 3.44Å; R885-E1057 VanDerWaalsContact CG-O 3.31Å; R885-E1057 WeakPolarHBondContact CG-O 3.18Å; R885-Y1059 WeakPolarHBondContact CD-O 3.28Å; R885-Y1059 PolarHBondContact NH1-O 3.27Å
886	L	93	Very high	91.8	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-61.6	-48	176.4	-165.4	155.9	0	0	0	109.6	A814 L817 V882 N883 L889 A890 Y1060	A814-L886 HydrophobicContact CB-CD1 4.35Å; A814-L886 HydrophobicContact CB-CD2 4.11Å; A814-L886 HydrophobicContact CB-CG 4.13Å; L817-L886 HydrophobicContact CD1-CD2 3.84Å; V882-L886 HydrophobicContact CG1-CD2 4.41Å; V882-L886 HydrophobicContact CG2-CD1 4.45Å; N883-L886 WeakPolarHBondContact O-CB 3.29Å; N883-L886 PolarHBondContact O-N 3.06Å; N883-L886 WeakPolarHBondContact OD1-CB 3.45Å; N883-L886 PolarHBondContact OD1-N 3.39Å; L886-L889 PolarHBondContact O-N 3.16Å; L886-A890 HydrophobicContact CD2-CB 4.49Å; L886-A890 VanDerWaalsContact O-CB 3.31Å; L886-A890 WeakPolarHBondContact O-CB 3.46Å; L886-A890 PolarHBondContact O-N 3.43Å; L886-Y1060 HydrophobicContact CB-CG 4.32Å; L886-Y1060 HydrophobicContact CD1-CD2 3.94Å; L886-Y1060 HydrophobicContact CG-CD2 4.1Å; L886-Y1060 HydrophobicContact CG-CG 4.29Å
887	I	92	Very high	92.2	Very high	33 Å²	33	53 Å²	53	17%	0.169	26%	0.258	C	S	.	.	H	α-helix	trans	-65.7	-43.5	178.4	-59.6	172.6	0	0	0	110.7	I312 V882 N883 L889 A890 Y891 G892	I312-I887 HydrophobicContact CG2-CD1 3.52Å; V882-I887 HydrophobicContact CG1-CD1 3.98Å; V882-I887 HydrophobicContact CG1-CG1 3.93Å; N883-I887 PolarHBondContact O-N 3.28Å; I887-L889 VanDerWaalsContact C-N 3.29Å; I887-L889 PolarHBondContact O-N 3.34Å; I887-A890 PolarHBondContact O-N 3.04Å; I887-Y891 HydrophobicContact CG2-CD2 4.23Å; I887-Y891 HydrophobicContact CG2-CG 4.15Å; I887-Y891 WeakPolarHBondContact O-CA 3.5Å; I887-Y891 WeakPolarHBondContact O-CB 3.3Å; I887-Y891 PolarHBondContact O-N 3.02Å; I887-G892 PolarHBondContact O-N 2.87Å
888	S	91.9	Very high	92.7	Very high	49 Å²	49	45.6 Å²	45.6	34%	0.343	22%	0.223	S	C	.	.	H	α-helix	trans	-57.5	-40.7	176.2	-176.9	0	0	0	0	112.3	E884 R885 G892 M893	E884-S888 WeakPolarHBondContact O-CB 3.4Å; E884-S888 PolarHBondContact O-N 3.02Å; R885-S888 PolarHBondContact O-N 2.96Å; S888-G892 CarbonylContact O-C 3.59Å; S888-G892 VanDerWaalsContact O-C 3.28Å; S888-G892 WeakPolarHBondContact O-CA 3.42Å; S888-G892 PolarHBondContact O-N 3.33Å; S888-G892 VanDerWaalsContact O-N 3.14Å; S888-M893 PolarHBondContact O-N 3.25Å
889	L	93.2	Very high	93.1	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.026	19%	0.189	C	C	.	.	H	α-helix	trans	-75.3	-52.2	177	-173.6	69	0	0	0	112.5	R885 L886 I887 M893 I894 Y1060	R885-L889 WeakPolarHBondContact O-CB 3.35Å; R885-L889 PolarHBondContact O-N 3.05Å; L886-L889 PolarHBondContact O-N 3.16Å; I887-L889 VanDerWaalsContact C-N 3.29Å; I887-L889 PolarHBondContact O-N 3.34Å; L889-M893 HydrophobicContact CD1-CB 4.46Å; L889-M893 HydrophobicContact CD1-SD 3.97Å; L889-M893 WeakPolarHBondContact O-CB 3.16Å; L889-M893 PolarHBondContact O-N 2.81Å; L889-I894 HydrophobicContact CD1-CD1 4.15Å; L889-I894 HydrophobicContact CD1-CG1 4.35Å; L889-I894 HydrophobicContact CD2-CD1 4.23Å; L889-I894 HydrophobicContact CG-CD1 3.76Å; L889-I894 HydrophobicContact CG-CG1 4.35Å; L889-I894 PolarHBondContact O-N 2.67Å; L889-Y1060 HydrophobicContact CD2-CD1 3.65Å; L889-Y1060 HydrophobicContact CD2-CE1 3.4Å
890	A	93.3	Very high	93.4	Very high	3 Å²	3	36.2 Å²	36.2	3%	0.025	19%	0.192	C	C	.	.	I	π-helix	trans	-68.9	-61.7	-175.9	0	0	0	0	0	111.4	L817 L886 I887 G895	L817-A890 HydrophobicContact CB-CB 4.35Å; L886-A890 HydrophobicContact CD2-CB 4.49Å; L886-A890 VanDerWaalsContact O-CB 3.31Å; L886-A890 WeakPolarHBondContact O-CB 3.46Å; L886-A890 PolarHBondContact O-N 3.43Å; I887-A890 PolarHBondContact O-N 3.04Å; A890-G895 WeakPolarHBondContact O-CA 3.24Å; A890-G895 PolarHBondContact O-N 3.47Å
891	Y	91.7	Very high	93.6	Very high	22 Å²	22	34 Å²	34	9%	0.086	18%	0.182	C	C	.	.	I	π-helix	trans	-73.7	-42.4	-179.8	-78.5	26.9	0	0	0	112	V316 L817 N820 I821 I887	V316-Y891 HydrophobicContact CG1-CE2 4.24Å; L817-Y891 HydrophobicContact CB-CD1 4.33Å; L817-Y891 HydrophobicContact CB-CE1 3.84Å; L817-Y891 HydrophobicContact CD2-CE1 3.99Å; L817-Y891 HydrophobicContact CG-CE1 4.41Å; L817-Y891 VanDerWaalsContact O-CD1 3.25Å; L817-Y891 WeakPolarHBondContact O-CD1 3.38Å; L817-Y891 WeakPolarHBondContact O-CE1 3.21Å; N820-Y891 HydrophobicContact CB-CE1 4.11Å; I821-Y891 HydrophobicContact CD1-CD1 4.31Å; I821-Y891 HydrophobicContact CD1-CD2 3.8Å; I821-Y891 HydrophobicContact CD1-CE2 4.35Å; I821-Y891 HydrophobicContact CD1-CG 3.76Å; I821-Y891 HydrophobicContact CG1-CD1 4.21Å; I821-Y891 HydrophobicContact CG1-CG 4.02Å; I887-Y891 HydrophobicContact CG2-CD2 4.23Å; I887-Y891 HydrophobicContact CG2-CG 4.15Å; I887-Y891 WeakPolarHBondContact O-CA 3.5Å; I887-Y891 WeakPolarHBondContact O-CB 3.3Å; I887-Y891 PolarHBondContact O-N 3.02Å
892	G	91.1	Very high	93.8	Very high	40 Å²	40	34 Å²	34	41%	0.412	18%	0.182	S	C	.	.	I	π-helix	trans	-87.4	-14.6	-168.4	0	0	0	0	0	116.2	I887 S888 I896	I887-G892 PolarHBondContact O-N 2.87Å; S888-G892 CarbonylContact O-C 3.59Å; S888-G892 VanDerWaalsContact O-C 3.28Å; S888-G892 WeakPolarHBondContact O-CA 3.42Å; S888-G892 PolarHBondContact O-N 3.33Å; S888-G892 VanDerWaalsContact O-N 3.14Å; G892-I896 VanDerWaalsContact O-CD1 3.28Å; G892-I896 WeakPolarHBondContact O-CD1 3.43Å
893	M	94.3	Very high	93.9	Very high	54 Å²	54	35 Å²	35	27%	0.266	19%	0.186	S	C	.	.	I	π-helix	trans	-129.1	-64.6	-179.1	-58	-179.5	-165.9	0	0	112.1	S888 L889 I896 I897 F1038 T1058	S888-M893 PolarHBondContact O-N 3.25Å; L889-M893 HydrophobicContact CD1-CB 4.46Å; L889-M893 HydrophobicContact CD1-SD 3.97Å; L889-M893 WeakPolarHBondContact O-CB 3.16Å; L889-M893 PolarHBondContact O-N 2.81Å; M893-I896 PolarHBondContact O-N 2.86Å; M893-I897 WeakPolarHBondContact O-CG1 3.27Å; M893-I897 PolarHBondContact O-N 3.34Å; M893-F1038 HydrophobicContact CB-CE1 4.24Å; M893-F1038 HydrophobicContact CB-CZ 4.44Å; M893-F1038 HydrophobicContact SD-CE1 4.23Å; M893-F1038 HydrophobicContact SD-CZ 3.92Å; M893-T1058 HydrophobicContact CE-CG2 4.08Å; M893-T1058 HydrophobicContact SD-CG2 4.44Å
894	I	95.4	Very high	94.2	Very high	5 Å²	5	38.3 Å²	38.3	3%	0.026	20%	0.2	C	C	.	.	I	π-helix	trans	-72.6	-48.1	-170.2	-53.3	161.9	0	0	0	110.5	T818 L889 I896 I897 Q898 D970 I973 I1035	T818-I894 HydrophobicContact CG2-CB 3.73Å; T818-I894 HydrophobicContact CG2-CG2 3.54Å; L889-I894 HydrophobicContact CD1-CD1 4.15Å; L889-I894 HydrophobicContact CD1-CG1 4.35Å; L889-I894 HydrophobicContact CD2-CD1 4.23Å; L889-I894 HydrophobicContact CG-CD1 3.76Å; L889-I894 HydrophobicContact CG-CG1 4.35Å; L889-I894 PolarHBondContact O-N 2.67Å; I894-I896 PolarHBondContact O-N 3.08Å; I894-I897 WeakPolarHBondContact O-CA 3.45Å; I894-I897 WeakPolarHBondContact O-CB 3.29Å; I894-I897 PolarHBondContact O-N 3.13Å; I894-Q898 HydrophobicContact CG2-CG 4.46Å; I894-Q898 WeakPolarHBondContact O-CG 3.41Å; I894-Q898 PolarHBondContact O-N 2.78Å; I894-D970 WeakPolarHBondContact CG2-OD1 3.29Å; I894-I973 HydrophobicContact CD1-CD1 3.63Å; I894-I973 HydrophobicContact CG1-CD1 4.27Å; I894-I973 HydrophobicContact CG2-CD1 4.44Å; I894-I1035 HydrophobicContact CG2-CD1 4.11Å; I894-I1035 HydrophobicContact CG2-CG1 4.13Å; I894-I1035 HydrophobicContact CG2-CG2 3.79Å
895	G	95.3	Very high	94.4	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59	-29.9	177.9	0	0	0	0	0	113.4	T818 I821 A890 Q898 A899	T818-G895 WeakPolarHBondContact O-CA 3.48Å; I821-G895 WeakPolarHBondContact CG2-O 3.28Å; A890-G895 WeakPolarHBondContact O-CA 3.24Å; A890-G895 PolarHBondContact O-N 3.47Å; G895-Q898 PolarHBondContact O-N 3.28Å; G895-A899 WeakPolarHBondContact O-CB 3.47Å; G895-A899 PolarHBondContact O-N 3.42Å
896	I	96	Very high	94.6	Very high	89 Å²	89	25.3 Å²	25.3	46%	0.456	14%	0.143	S	C	.	.	H	α-helix	trans	-66.8	-42.6	171.8	-57.6	-172.5	0	0	0	111	G892 M893 I894 Q898 A899 V900	G892-I896 VanDerWaalsContact O-CD1 3.28Å; G892-I896 WeakPolarHBondContact O-CD1 3.43Å; M893-I896 PolarHBondContact O-N 2.86Å; I894-I896 PolarHBondContact O-N 3.08Å; I896-Q898 VanDerWaalsContact C-N 3.31Å; I896-Q898 PolarHBondContact O-N 3.06Å; I896-A899 PolarHBondContact O-N 2.96Å; I896-V900 WeakPolarHBondContact O-CG2 2.86Å; I896-V900 PolarHBondContact O-N 2.91Å
897	I	96.4	Very high	94.7	Very high	29 Å²	29	28 Å²	28	15%	0.149	15%	0.154	C	C	.	.	H	α-helix	trans	-64.4	-39.8	176.4	-58.6	166.2	0	0	0	110.2	M893 I894 V900 A901 F1031 L1034 I1035	M893-I897 WeakPolarHBondContact O-CG1 3.27Å; M893-I897 PolarHBondContact O-N 3.34Å; I894-I897 WeakPolarHBondContact O-CA 3.45Å; I894-I897 WeakPolarHBondContact O-CB 3.29Å; I894-I897 PolarHBondContact O-N 3.13Å; I897-V900 PolarHBondContact O-N 2.99Å; I897-A901 PolarHBondContact O-N 2.91Å; I897-F1031 HydrophobicContact CG2-CB 4.26Å; I897-F1031 HydrophobicContact CG2-CD1 4.24Å; I897-L1034 HydrophobicContact CG2-CD2 4.12Å; I897-I1035 HydrophobicContact CB-CD1 4.34Å; I897-I1035 HydrophobicContact CB-CG1 4.01Å; I897-I1035 HydrophobicContact CD1-CG1 4.32Å; I897-I1035 HydrophobicContact CG2-CD1 4.03Å; I897-I1035 HydrophobicContact CG2-CG1 3.63Å
898	Q	96.6	Very high	94.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.9	-45.2	174.5	-61.2	-165.3	-13	0	0	112.5	T818 P822 I894 G895 I896 V900 A901 G902 V966 I1035	T818-Q898 VanDerWaalsContact CG2-CD 3.5Å; T818-Q898 HydrophobicContact CG2-CG 4.25Å; P822-Q898 HydrophobicContact CB-CB 4.21Å; P822-Q898 HydrophobicContact CG-CB 3.74Å; I894-Q898 HydrophobicContact CG2-CG 4.46Å; I894-Q898 WeakPolarHBondContact O-CG 3.41Å; I894-Q898 PolarHBondContact O-N 2.78Å; G895-Q898 PolarHBondContact O-N 3.28Å; I896-Q898 VanDerWaalsContact C-N 3.31Å; I896-Q898 PolarHBondContact O-N 3.06Å; Q898-V900 PolarHBondContact O-N 2.91Å; Q898-A901 WeakPolarHBondContact O-CB 3.32Å; Q898-A901 PolarHBondContact O-N 3.11Å; Q898-A901 VanDerWaalsContact O-N 3.12Å; Q898-G902 PolarHBondContact O-N 3.45Å; Q898-V966 HydrophobicContact CB-CG2 3.7Å; Q898-V966 HydrophobicContact CG-CB 4Å; Q898-V966 HydrophobicContact CG-CG2 3.47Å; Q898-V966 VanDerWaalsContact CG-CG2 3.47Å; Q898-I1035 HydrophobicContact CG-CD1 3.79Å
899	A	96	Very high	95	Very high	7 Å²	7	26 Å²	26	6%	0.058	14%	0.142	C	C	.	.	H	α-helix	trans	-58.9	-45.3	175.7	0	0	0	0	0	111.8	I821 P822 S825 G895 I896 A901 G902 F903	I821-A899 HydrophobicContact CG2-CB 4.19Å; P822-A899 HydrophobicContact CB-CB 4.32Å; S825-A899 WeakPolarHBondContact OG-CB 3.48Å; G895-A899 WeakPolarHBondContact O-CB 3.47Å; G895-A899 PolarHBondContact O-N 3.42Å; I896-A899 PolarHBondContact O-N 2.96Å; A899-A901 VanDerWaalsContact C-N 3.28Å; A899-A901 PolarHBondContact O-N 3.43Å; A899-G902 PolarHBondContact O-N 3.29Å; A899-F903 WeakPolarHBondContact O-CD2 3.41Å; A899-F903 PolarHBondContact O-N 3.16Å
900	V	96.3	Very high	95	Very high	76 Å²	76	25.7 Å²	25.7	46%	0.461	14%	0.14	S	C	.	.	H	α-helix	trans	-61.2	-37.2	175.9	175.1	0	0	0	0	111.4	I896 I897 Q898 F904 F1031	I896-V900 WeakPolarHBondContact O-CG2 2.86Å; I896-V900 PolarHBondContact O-N 2.91Å; I897-V900 PolarHBondContact O-N 2.99Å; Q898-V900 PolarHBondContact O-N 2.91Å; V900-F904 VanDerWaalsContact O-CB 3.3Å; V900-F904 WeakPolarHBondContact O-CB 3.41Å; V900-F904 PolarHBondContact O-N 3.34Å; V900-F1031 HydrophobicContact CB-CE1 4.42Å; V900-F1031 HydrophobicContact CG1-CD1 4.39Å; V900-F1031 HydrophobicContact CG1-CE1 3.62Å; V900-F1031 HydrophobicContact CG1-CZ 4.12Å
901	A	96.1	Very high	95.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.4	-46.9	175.4	0	0	0	0	0	112.5	I897 Q898 A899 F904 A905 V966 A1028 F1031	I897-A901 PolarHBondContact O-N 2.91Å; Q898-A901 WeakPolarHBondContact O-CB 3.32Å; Q898-A901 PolarHBondContact O-N 3.11Å; Q898-A901 VanDerWaalsContact O-N 3.12Å; A899-A901 VanDerWaalsContact C-N 3.28Å; A899-A901 PolarHBondContact O-N 3.43Å; A901-F904 PolarHBondContact O-N 3.38Å; A901-A905 PolarHBondContact O-N 3.5Å; A901-V966 HydrophobicContact CB-CG1 3.76Å; A901-A1028 HydrophobicContact CB-CB 4.46Å; A901-F1031 HydrophobicContact CB-CB 3.53Å; A901-F1031 HydrophobicContact CB-CD1 4.25Å; A901-F1031 HydrophobicContact CB-CD2 3.66Å; A901-F1031 HydrophobicContact CB-CE2 4.44Å; A901-F1031 HydrophobicContact CB-CG 3.54Å
902	G	95.5	Very high	95.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.1	-44.9	176.3	0	0	0	0	0	112.5	Q898 A899 F904 A905 Y906 F959	Q898-G902 PolarHBondContact O-N 3.45Å; A899-G902 PolarHBondContact O-N 3.29Å; G902-F904 PolarHBondContact O-N 2.88Å; G902-A905 PolarHBondContact O-N 2.96Å; G902-Y906 WeakPolarHBondContact O-CB 3.3Å; G902-Y906 PolarHBondContact O-N 3.3Å; G902-F959 VanDerWaalsContact C-CD2 3.48Å; G902-F959 VanDerWaalsContact O-CD2 3.32Å; G902-F959 WeakPolarHBondContact O-CD2 3.44Å
903	F	95.6	Very high	95.2	Very high	21 Å²	21	29.1 Å²	29.1	9%	0.092	15%	0.151	C	C	.	.	H	α-helix	trans	-63.8	-38.2	174.6	-80.2	-63.1	0	0	0	113	P826 L829 I835 P838 A899 Y906 F907 F959	P826-F903 HydrophobicContact CG-CZ 4.44Å; L829-F903 HydrophobicContact CB-CE1 4.11Å; L829-F903 HydrophobicContact CB-CZ 3.97Å; L829-F903 HydrophobicContact CD1-CD1 4.07Å; L829-F903 HydrophobicContact CD1-CD2 4.32Å; L829-F903 HydrophobicContact CD1-CE1 3.58Å; L829-F903 HydrophobicContact CD1-CE2 3.88Å; L829-F903 HydrophobicContact CD1-CG 4.43Å; L829-F903 HydrophobicContact CD1-CZ 3.48Å; L829-F903 VanDerWaalsContact CD1-CZ 3.48Å; L829-F903 HydrophobicContact CG-CE1 4.18Å; L829-F903 HydrophobicContact CG-CE2 4.33Å; L829-F903 HydrophobicContact CG-CZ 3.77Å; I835-F903 HydrophobicContact CD1-CE1 4.45Å; P838-F903 HydrophobicContact CB-CE1 4.13Å; P838-F903 HydrophobicContact CG-CE1 3.71Å; P838-F903 HydrophobicContact CG-CZ 4.48Å; A899-F903 WeakPolarHBondContact O-CD2 3.41Å; A899-F903 PolarHBondContact O-N 3.16Å; F903-Y906 WeakPolarHBondContact O-CB 3.5Å; F903-Y906 PolarHBondContact O-N 3.38Å; F903-F907 HydrophobicContact CB-CD2 4.44Å; F903-F907 HydrophobicContact CB-CE2 4.19Å; F903-F907 WeakPolarHBondContact O-CD2 3.49Å; F903-F907 WeakPolarHBondContact O-CG 3.23Å; F903-F907 PolarHBondContact O-N 3.36Å; F903-F959 HydrophobicContact CD1-CE2 4.11Å; F903-F959 HydrophobicContact CD2-CE2 4.45Å; F903-F959 HydrophobicContact CE1-CE2 4.25Å; F903-F959 HydrophobicContact CG-CE2 4.2Å; F903-F959 HydrophobicContact CZ-CE2 4.47Å
904	F	95.9	Very high	95.1	Very high	97 Å²	97	26.6 Å²	26.6	43%	0.425	14%	0.139	S	C	.	.	H	α-helix	trans	-61	-46	175.3	-179.6	-107.1	0	0	0	111.4	V900 A901 G902 F907 V908 P1027 F1031	V900-F904 VanDerWaalsContact O-CB 3.3Å; V900-F904 WeakPolarHBondContact O-CB 3.41Å; V900-F904 PolarHBondContact O-N 3.34Å; A901-F904 PolarHBondContact O-N 3.38Å; G902-F904 PolarHBondContact O-N 2.88Å; F904-F907 PolarHBondContact O-N 2.83Å; F904-V908 HydrophobicContact CD1-CG2 4.43Å; F904-V908 HydrophobicContact CE1-CG2 4.09Å; F904-V908 HydrophobicContact CE2-CG2 4.29Å; F904-V908 HydrophobicContact CZ-CG2 4.02Å; F904-V908 VanDerWaalsContact O-CG2 3.31Å; F904-V908 WeakPolarHBondContact O-CG2 3.32Å; F904-V908 PolarHBondContact O-N 2.97Å; F904-P1027 HydrophobicContact CD1-CB 3.79Å; F904-P1027 WeakPolarHBondContact CD1-O 3.31Å; F904-P1027 HydrophobicContact CE1-CB 3.85Å; F904-F1031 HydrophobicContact CB-CE2 3.94Å; F904-F1031 HydrophobicContact CB-CZ 4.09Å; F904-F1031 AromaticContact CD1-CE2 3.7Å; F904-F1031 HydrophobicContact CD1-CE2 3.7Å; F904-F1031 HydrophobicContact CD1-CZ 4.4Å; F904-F1031 HydrophobicContact CE1-CE2 4.43Å; F904-F1031 AromaticContact CG-CE2 3.89Å; F904-F1031 HydrophobicContact CG-CE2 3.89Å; F904-F1031 HydrophobicContact CG-CZ 4.16Å
905	A	95	Very high	95	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.3	-42.5	174.6	0	0	0	0	0	112.6	A901 G902 F907 V908 I909 S962 P1027	A901-A905 PolarHBondContact O-N 3.5Å; G902-A905 PolarHBondContact O-N 2.96Å; A905-F907 PolarHBondContact O-N 2.95Å; A905-V908 PolarHBondContact O-N 3.24Å; A905-I909 VanDerWaalsContact O-CG1 3.31Å; A905-I909 WeakPolarHBondContact O-CG1 3.46Å; A905-I909 PolarHBondContact O-N 3.31Å; A905-S962 WeakPolarHBondContact CB-OG 3.28Å; A905-P1027 HydrophobicContact CB-CB 4.1Å
906	Y	95.4	Very high	94.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-56	-48.2	173.7	166.9	-93.1	0	0	0	112.3	I835 P836 P838 G902 F903 I909 M910 L920 C955	I835-Y906 HydrophobicContact CD1-CE1 4.23Å; P836-Y906 WeakPolarHBondContact CD-OH 3.3Å; P836-Y906 PolarHBondContact O-OH 2.87Å; P838-Y906 HydrophobicContact CB-CD2 3.76Å; P838-Y906 HydrophobicContact CB-CE2 4.09Å; P838-Y906 HydrophobicContact CB-CG 4.15Å; P838-Y906 HydrophobicContact CG-CD2 4.38Å; P838-Y906 HydrophobicContact CG-CE2 4.29Å; G902-Y906 WeakPolarHBondContact O-CB 3.3Å; G902-Y906 PolarHBondContact O-N 3.3Å; F903-Y906 WeakPolarHBondContact O-CB 3.5Å; F903-Y906 PolarHBondContact O-N 3.38Å; Y906-I909 PolarHBondContact O-N 3.45Å; Y906-M910 HydrophobicContact CD2-CG 4.42Å; Y906-M910 HydrophobicContact CE1-CG 4.3Å; Y906-M910 HydrophobicContact CE2-CE 3.66Å; Y906-M910 HydrophobicContact CE2-CG 4Å; Y906-M910 WeakPolarHBondContact O-CB 3.5Å; Y906-M910 WeakPolarHBondContact O-CG 3.41Å; Y906-M910 PolarHBondContact O-N 2.85Å; Y906-L920 HydrophobicContact CE1-CD1 3.92Å; Y906-C955 HydrophobicContact CD2-CB 3.91Å; Y906-C955 HydrophobicContact CE2-CB 4.26Å
907	F	94.8	Very high	94.6	Very high	57 Å²	57	27.9 Å²	27.9	25%	0.25	15%	0.149	C	C	.	.	H	α-helix	trans	-67.9	-34	178.2	-70.2	-56.9	0	0	0	112.9	F903 F904 A905 G911 P917 L920	F903-F907 HydrophobicContact CB-CD2 4.44Å; F903-F907 HydrophobicContact CB-CE2 4.19Å; F903-F907 WeakPolarHBondContact O-CD2 3.49Å; F903-F907 WeakPolarHBondContact O-CG 3.23Å; F903-F907 PolarHBondContact O-N 3.36Å; F904-F907 PolarHBondContact O-N 2.83Å; A905-F907 PolarHBondContact O-N 2.95Å; F907-G911 PolarHBondContact O-N 3.17Å; F907-P917 HydrophobicContact CB-CG 4.5Å; F907-P917 HydrophobicContact CD1-CB 4.18Å; F907-P917 HydrophobicContact CD1-CG 4.17Å; F907-P917 HydrophobicContact CE1-CB 4.44Å; F907-L920 HydrophobicContact CD1-CD1 3.7Å; F907-L920 HydrophobicContact CE1-CD1 3.82Å
908	V	94.9	Very high	94.3	Very high	39 Å²	39	33.6 Å²	33.6	24%	0.236	18%	0.18	C	C	.	.	H	α-helix	trans	-63.7	-48.1	173.1	167.4	0	0	0	0	110.9	F904 A905 G911 E912 P1027	F904-V908 HydrophobicContact CD1-CG2 4.43Å; F904-V908 HydrophobicContact CE1-CG2 4.09Å; F904-V908 HydrophobicContact CE2-CG2 4.29Å; F904-V908 HydrophobicContact CZ-CG2 4.02Å; F904-V908 VanDerWaalsContact O-CG2 3.31Å; F904-V908 WeakPolarHBondContact O-CG2 3.32Å; F904-V908 PolarHBondContact O-N 2.97Å; A905-V908 PolarHBondContact O-N 3.24Å; V908-G911 PolarHBondContact O-N 3Å; V908-E912 WeakPolarHBondContact O-CB 3.49Å; V908-E912 PolarHBondContact O-N 3.38Å; V908-P1027 HydrophobicContact CG1-CG 4.34Å
909	I	95.2	Very high	94	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-66.2	-44.2	-179.4	-63.8	166.8	0	0	0	110.8	A905 Y906 N913 L951 T954 C955 W1024	A905-I909 VanDerWaalsContact O-CG1 3.31Å; A905-I909 WeakPolarHBondContact O-CG1 3.46Å; A905-I909 PolarHBondContact O-N 3.31Å; Y906-I909 PolarHBondContact O-N 3.45Å; I909-N913 PolarHBondContact O-N 3.17Å; I909-N913 PolarHBondContact O-ND2 3.34Å; I909-L951 HydrophobicContact CG2-CD1 4.13Å; I909-T954 HydrophobicContact CG2-CG2 4.4Å; I909-C955 VanDerWaalsContact CG2-SG 3.51Å; I909-W1024 HydrophobicContact CD1-CB 4.37Å; I909-W1024 HydrophobicContact CD1-CD2 4.31Å; I909-W1024 HydrophobicContact CD1-CE3 4.42Å; I909-W1024 HydrophobicContact CD1-CG 4.32Å; I909-W1024 HydrophobicContact CG1-CB 4.37Å; I909-W1024 HydrophobicContact CG1-CD2 3.82Å; I909-W1024 HydrophobicContact CG1-CE3 4.29Å; I909-W1024 HydrophobicContact CG1-CG 3.87Å; I909-W1024 HydrophobicContact CG2-CH2 4.25Å; I909-W1024 HydrophobicContact CG2-CZ2 4.26Å; I909-W1024 HydrophobicContact CG2-CZ3 4.45Å
910	M	94.4	Very high	93.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.2	-46	175.6	-76.1	-65	-168.1	0	0	111.8	P836 Y906 N913 G914 F915 L920 W927 L951	P836-M910 HydrophobicContact CB-CE 3.81Å; P836-M910 HydrophobicContact CG-CE 4.03Å; Y906-M910 HydrophobicContact CD2-CG 4.42Å; Y906-M910 HydrophobicContact CE1-CG 4.3Å; Y906-M910 HydrophobicContact CE2-CE 3.66Å; Y906-M910 HydrophobicContact CE2-CG 4Å; Y906-M910 WeakPolarHBondContact O-CB 3.5Å; Y906-M910 WeakPolarHBondContact O-CG 3.41Å; Y906-M910 PolarHBondContact O-N 2.85Å; M910-N913 CarbonylContact O-C 3.52Å; M910-N913 PolarHBondContact O-N 3.12Å; M910-G914 PolarHBondContact O-N 3.33Å; M910-G914 VanDerWaalsContact O-N 3.17Å; M910-F915 CarbonylContact C-O 3.24Å; M910-F915 VanDerWaalsContact C-O 3.24Å; M910-F915 HydrophobicContact CB-CB 4.27Å; M910-F915 PolarHBondContact O-N 3.02Å; M910-F915 HydrophobicContact SD-CB 4.33Å; M910-L920 HydrophobicContact CB-CD1 3.95Å; M910-L920 HydrophobicContact CB-CD2 4.33Å; M910-L920 HydrophobicContact CG-CD1 4.12Å; M910-L920 HydrophobicContact CG-CD2 4.13Å; M910-L920 HydrophobicContact SD-CD2 4.17Å; M910-W927 HydrophobicContact CE-CH2 3.84Å; M910-W927 HydrophobicContact CE-CZ2 3.89Å; M910-W927 HydrophobicContact SD-CH2 4.03Å; M910-L951 HydrophobicContact SD-CD2 4.08Å; M910-L951 HydrophobicContact SD-CG 4.17Å
911	G	94.2	Very high	93.4	Very high	14 Å²	14	39.5 Å²	39.5	14%	0.144	20%	0.196	C	C	.	.	H	α-helix	trans	-63.2	-44.8	179.7	0	0	0	0	0	113.3	F907 V908 N913 G914 F915	F907-G911 PolarHBondContact O-N 3.17Å; V908-G911 PolarHBondContact O-N 3Å; G911-N913 PolarHBondContact O-N 3.38Å; G911-G914 PolarHBondContact O-N 3.25Å; G911-G914 VanDerWaalsContact O-N 3.15Å; G911-F915 PolarHBondContact N-O 3.41Å
912	E	93.5	Very high	93	Very high	92 Å²	92	41.6 Å²	41.6	43%	0.43	22%	0.217	S	C	.	.	H	α-helix	trans	-62.7	-24.8	175.5	-82	-170.7	-155.7	0	0	113.6	V908 R1021 W1024	V908-E912 WeakPolarHBondContact O-CB 3.49Å; V908-E912 PolarHBondContact O-N 3.38Å; E912-R1021 IonicContact OE2-NH1 2.71Å; E912-R1021 PolarHBondContact OE2-NH1 3.13Å; E912-R1021 VanDerWaalsContact OE2-NH1 3.07Å; E912-W1024 VanDerWaalsContact CD-NE1 3.32Å; E912-W1024 PolarHBondContact OE1-NE1 3.33Å; E912-W1024 PolarHBondContact OE2-NE1 3.27Å
913	N	93.2	Very high	92.8	Very high	31 Å²	31	41.6 Å²	41.6	17%	0.166	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	12.7	177.9	-67.4	-80.7	0	0	0	113	I909 M910 G911 W943 L951	I909-N913 PolarHBondContact O-N 3.17Å; I909-N913 PolarHBondContact O-ND2 3.34Å; M910-N913 CarbonylContact O-C 3.52Å; M910-N913 PolarHBondContact O-N 3.12Å; G911-N913 PolarHBondContact O-N 3.38Å; N913-W943 HydrophobicContact CB-CH2 4.41Å; N913-W943 WeakPolarHBondContact O-CZ2 3.43Å; N913-L951 HydrophobicContact CB-CD1 3.69Å; N913-L951 HydrophobicContact CB-CD2 3.69Å; N913-L951 HydrophobicContact CB-CG 4.38Å
914	G	91.4	Very high	92.5	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.01	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.3	-3.2	168.6	0	0	0	0	0	116.8	M910 G911 D937 S938 Y939	M910-G914 PolarHBondContact O-N 3.33Å; M910-G914 VanDerWaalsContact O-N 3.17Å; G911-G914 PolarHBondContact O-N 3.25Å; G911-G914 VanDerWaalsContact O-N 3.15Å; G914-D937 WeakPolarHBondContact O-CB 3.41Å; G914-S938 WeakPolarHBondContact O-CA 3.13Å; G914-S938 WeakPolarHBondContact O-CB 3.26Å; G914-S938 PolarHBondContact O-N 3.4Å; G914-S938 PolarHBondContact O-OG 3.09Å; G914-Y939 VanDerWaalsContact CA-CD2 3.5Å
915	F	93.7	Very high	92	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.229	C	C	.	.			trans	-100.4	88.2	174.9	-65.1	-84.6	0	0	0	110	M910 G911 L920 L923 W927 L935 D937 W943 L951	M910-F915 CarbonylContact C-O 3.24Å; M910-F915 VanDerWaalsContact C-O 3.24Å; M910-F915 HydrophobicContact CB-CB 4.27Å; M910-F915 PolarHBondContact O-N 3.02Å; M910-F915 HydrophobicContact SD-CB 4.33Å; G911-F915 PolarHBondContact N-O 3.41Å; F915-L920 HydrophobicContact CB-CD2 3.75Å; F915-L920 HydrophobicContact CB-CG 4.45Å; F915-L923 HydrophobicContact CD1-CD2 3.72Å; F915-L923 HydrophobicContact CE1-CD2 4.05Å; F915-W927 AromaticContact CD1-CZ3 3.97Å; F915-W927 HydrophobicContact CD1-CZ3 3.97Å; F915-W927 HydrophobicContact CD2-CH2 4.23Å; F915-W927 HydrophobicContact CD2-CZ3 4.03Å; F915-W927 HydrophobicContact CE1-CE3 4.41Å; F915-W927 AromaticContact CE1-CZ3 3.75Å; F915-W927 HydrophobicContact CE1-CZ3 3.75Å; F915-W927 HydrophobicContact CE2-CH2 4.1Å; F915-W927 AromaticContact CE2-CZ3 3.81Å; F915-W927 HydrophobicContact CE2-CZ3 3.81Å; F915-W927 HydrophobicContact CG-CZ3 4.11Å; F915-W927 HydrophobicContact CZ-CH2 4.38Å; F915-W927 AromaticContact CZ-CZ3 3.66Å; F915-W927 HydrophobicContact CZ-CZ3 3.66Å; F915-L935 HydrophobicContact CE1-CD2 4.36Å; F915-D937 HydrophobicContact CD1-CB 4.05Å; F915-D937 HydrophobicContact CD2-CB 4.32Å; F915-D937 HydrophobicContact CE1-CB 3.67Å; F915-D937 HydrophobicContact CE2-CB 3.97Å; F915-D937 HydrophobicContact CG-CB 4.36Å; F915-D937 HydrophobicContact CZ-CB 3.63Å; F915-W943 AromaticContact CE2-CD1 3.95Å; F915-W943 AromaticContact CE2-CD2 3.9Å; F915-W943 HydrophobicContact CE2-CD2 3.9Å; F915-W943 AromaticContact CE2-CE2 3.77Å; F915-W943 HydrophobicContact CE2-CE3 4.48Å; F915-W943 HydrophobicContact CE2-CG 4.05Å; F915-W943 HydrophobicContact CE2-CZ2 4.3Å; F915-W943 AromaticContact CE2-NE1 3.77Å; F915-W943 HydrophobicContact CZ-CB 4.37Å; F915-W943 AromaticContact CZ-CD1 3.67Å; F915-W943 HydrophobicContact CZ-CD2 4.19Å; F915-W943 AromaticContact CZ-CG 3.84Å; F915-W943 HydrophobicContact CZ-CG 3.84Å; F915-W943 AromaticContact CZ-NE1 3.94Å; F915-L951 HydrophobicContact CD2-CD2 3.81Å; F915-L951 HydrophobicContact CE2-CD2 3.96Å
916	L	92.9	Very high	91.8	Very high	69 Å²	69	48.3 Å²	48.3	36%	0.361	25%	0.247	S	C	.	.			trans	-63.2	150.2	175.6	-62.2	177.5	0	0	0	110.5	D918 R919 S938	L916-D918 PolarHBondContact O-N 3.39Å; L916-R919 PolarHBondContact O-N 3.2Å; L916-S938 WeakPolarHBondContact CB-OG 3.16Å; L916-S938 PolarHBondContact N-OG 3Å; L916-S938 VanDerWaalsContact N-OG 3.1Å
917	P	89.3	Confident	91.6	Very high	52 Å²	52	48.3 Å²	48.3	34%	0.338	25%	0.247	S	C	.	.	H	α-helix	trans	-49.3	-40.6	-174.6	-31.3	36.6	0	0	0	114.8	F907 R919 L920 F921	F907-P917 HydrophobicContact CB-CG 4.5Å; F907-P917 HydrophobicContact CD1-CB 4.18Å; F907-P917 HydrophobicContact CD1-CG 4.17Å; F907-P917 HydrophobicContact CE1-CB 4.44Å; P917-R919 VanDerWaalsContact C-N 3.26Å; P917-R919 PolarHBondContact O-N 3.06Å; P917-L920 WeakPolarHBondContact O-CB 3.45Å; P917-L920 PolarHBondContact O-N 2.8Å; P917-L920 VanDerWaalsContact O-N 3.12Å; P917-F921 VanDerWaalsContact O-CD2 3.28Å; P917-F921 WeakPolarHBondContact O-CD2 3.2Å; P917-F921 WeakPolarHBondContact O-CE2 3.5Å
918	D	89.3	Confident	91.2	Very high	149 Å²	149	48 Å²	48	80%	0.797	25%	0.248	S	C	*	.	H	α-helix	trans	-62.2	-29.4	179.9	-58.4	-26.7	0	0	0	113.6	L916	L916-D918 PolarHBondContact O-N 3.39Å
919	R	90.6	Very high	90.8	Very high	83 Å²	83	48.4 Å²	48.4	31%	0.313	25%	0.252	S	S	.	.	H	α-helix	trans	-83.6	-16.2	178.5	-178.6	56.3	178	138	8	112.7	L916 P917 E926 Q936 S938	L916-R919 PolarHBondContact O-N 3.2Å; P917-R919 VanDerWaalsContact C-N 3.26Å; P917-R919 PolarHBondContact O-N 3.06Å; R919-E926 IonicContact CZ-OE2 3.6Å; R919-E926 IonicContact NH1-OE2 3.51Å; R919-E926 IonicContact NH2-OE2 2.83Å; R919-E926 PolarHBondContact NH2-OE2 3.28Å; R919-Q936 PolarHBondContact NE-O 3.15Å; R919-Q936 PolarHBondContact NH2-O 3.13Å; R919-S938 WeakPolarHBondContact CB-OG 3.42Å
920	L	90.1	Very high	90.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-74.7	-32.5	-178.2	-65.7	173	0	0	0	112.7	I835 P836 Y906 F907 M910 F915 P917 G922 L923	I835-L920 HydrophobicContact CG2-CB 4.07Å; P836-L920 HydrophobicContact CG-CD2 4.29Å; Y906-L920 HydrophobicContact CE1-CD1 3.92Å; F907-L920 HydrophobicContact CD1-CD1 3.7Å; F907-L920 HydrophobicContact CE1-CD1 3.82Å; M910-L920 HydrophobicContact CB-CD1 3.95Å; M910-L920 HydrophobicContact CB-CD2 4.33Å; M910-L920 HydrophobicContact CG-CD1 4.12Å; M910-L920 HydrophobicContact CG-CD2 4.13Å; M910-L920 HydrophobicContact SD-CD2 4.17Å; F915-L920 HydrophobicContact CB-CD2 3.75Å; F915-L920 HydrophobicContact CB-CG 4.45Å; P917-L920 WeakPolarHBondContact O-CB 3.45Å; P917-L920 PolarHBondContact O-N 2.8Å; P917-L920 VanDerWaalsContact O-N 3.12Å; L920-G922 PolarHBondContact O-N 2.93Å; L920-L923 HydrophobicContact CD2-CD2 4.04Å; L920-L923 WeakPolarHBondContact O-CB 3.48Å; L920-L923 PolarHBondContact O-N 3.42Å; L920-L923 VanDerWaalsContact O-N 3.11Å
921	F	90.2	Very high	89.9	Confident	123 Å²	123	57.6 Å²	57.6	54%	0.539	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	122.3	-179.4	-67.9	-82.8	0	0	0	111.2	A833 P917 L923	A833-F921 HydrophobicContact CB-CD1 3.83Å; A833-F921 HydrophobicContact CB-CE1 3.89Å; P917-F921 VanDerWaalsContact O-CD2 3.28Å; P917-F921 WeakPolarHBondContact O-CD2 3.2Å; P917-F921 WeakPolarHBondContact O-CE2 3.5Å; F921-L923 VanDerWaalsContact C-N 3.26Å; F921-L923 PolarHBondContact O-N 3.47Å
922	G	87.8	Confident	89.7	Confident	44 Å²	44	58.7 Å²	58.7	45%	0.454	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	-8.8	-175.7	0	0	0	0	0	115.6	A833 N834 L920 R924	A833-G922 PolarHBondContact O-N 3.19Å; A833-G922 VanDerWaalsContact O-N 3.08Å; N834-G922 CarbonylContact O-C 3.57Å; N834-G922 VanDerWaalsContact O-C 3.28Å; N834-G922 WeakPolarHBondContact O-CA 3.46Å; N834-G922 PolarHBondContact O-N 3.46Å; L920-G922 PolarHBondContact O-N 2.93Å; G922-R924 PolarHBondContact O-N 2.72Å
923	L	91.5	Very high	89.5	Confident	1 Å²	1	58 Å²	58	1%	0.005	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-25.6	-172.4	-166.6	64.2	0	0	0	113.5	N834 P836 F915 L920 F921 K925 E926 W927 L935	N834-L923 PolarHBondContact O-N 3.21Å; N834-L923 VanDerWaalsContact O-N 3.11Å; P836-L923 HydrophobicContact CG-CD2 4.32Å; F915-L923 HydrophobicContact CD1-CD2 3.72Å; F915-L923 HydrophobicContact CE1-CD2 4.05Å; L920-L923 HydrophobicContact CD2-CD2 4.04Å; L920-L923 WeakPolarHBondContact O-CB 3.48Å; L920-L923 PolarHBondContact O-N 3.42Å; L920-L923 VanDerWaalsContact O-N 3.11Å; F921-L923 VanDerWaalsContact C-N 3.26Å; F921-L923 PolarHBondContact O-N 3.47Å; L923-K925 VanDerWaalsContact C-N 3.29Å; L923-K925 PolarHBondContact O-N 2.76Å; L923-K925 VanDerWaalsContact O-N 3.13Å; L923-E926 PolarHBondContact O-N 2.9Å; L923-W927 HydrophobicContact CD2-CE3 3.61Å; L923-W927 HydrophobicContact CD2-CZ3 3.92Å; L923-W927 HydrophobicContact CG-CE3 4.11Å; L923-W927 WeakPolarHBondContact O-CB 3.38Å; L923-W927 PolarHBondContact O-N 3.34Å; L923-L935 HydrophobicContact CD1-CD1 4.04Å; L923-L935 HydrophobicContact CD1-CD2 4.17Å; L923-L935 HydrophobicContact CG-CD2 4.43Å
924	R	88.7	Confident	89.5	Confident	24 Å²	24	61 Å²	61	9%	0.091	33%	0.325	C	S	.	.	H	α-helix	trans	-48.1	-44.5	-173.4	-177.5	-173.6	166.3	-174.2	-2.2	114	Y333 F341 F830 N834 G922 E926 W927 D928	Y333-R924 VanDerWaalsContact CE1-NH1 3.3Å; Y333-R924 PolarHBondContact OH-NH1 3.48Å; F341-R924 VanDerWaalsContact CZ-NH2 3.28Å; F830-R924 VanDerWaalsContact CE1-NH1 3.33Å; F830-R924 VanDerWaalsContact CE2-CD 3.5Å; F830-R924 HydrophobicContact CE2-CG 3.97Å; F830-R924 VanDerWaalsContact CZ-NH2 3.35Å; N834-R924 HydrophobicContact CB-CB 4.3Å; N834-R924 WeakPolarHBondContact O-CB 3.44Å; N834-R924 PolarHBondContact O-N 3.05Å; G922-R924 PolarHBondContact O-N 2.72Å; R924-E926 VanDerWaalsContact C-N 3.32Å; R924-E926 PolarHBondContact O-N 3.19Å; R924-W927 WeakPolarHBondContact O-CB 3.4Å; R924-W927 PolarHBondContact O-N 3.46Å; R924-W927 VanDerWaalsContact O-N 3.13Å; R924-D928 VanDerWaalsContact CG-OD2 3.24Å; R924-D928 WeakPolarHBondContact CG-OD2 3.11Å; R924-D928 IonicContact NE-OD2 3.66Å; R924-D928 PolarHBondContact NE-OD2 3.48Å; R924-D928 VanDerWaalsContact NE-OD2 3.14Å; R924-D928 PolarHBondContact O-N 2.92Å
925	K	85.8	Confident	89.5	Confident	152 Å²	152	61.1 Å²	61.1	66%	0.661	33%	0.325	S	S	*	.	H	α-helix	trans	-63.4	-37.7	-177.6	-69	-175.6	178.6	-179.4	0	112.5	L923 S929	L923-K925 VanDerWaalsContact C-N 3.29Å; L923-K925 PolarHBondContact O-N 2.76Å; L923-K925 VanDerWaalsContact O-N 3.13Å; K925-S929 VanDerWaalsContact O-CB 3.31Å; K925-S929 WeakPolarHBondContact O-CB 3.32Å
926	E	90.5	Very high	89.3	Confident	82 Å²	82	66.3 Å²	66.3	38%	0.383	35%	0.35	S	S	.	.	H	α-helix	trans	-73.1	-40.1	173.7	-62.2	177	178.4	0	0	110.3	R919 L923 R924 L935 R948	R919-E926 IonicContact CZ-OE2 3.6Å; R919-E926 IonicContact NH1-OE2 3.51Å; R919-E926 IonicContact NH2-OE2 2.83Å; R919-E926 PolarHBondContact NH2-OE2 3.28Å; L923-E926 PolarHBondContact O-N 2.9Å; R924-E926 VanDerWaalsContact C-N 3.32Å; R924-E926 PolarHBondContact O-N 3.19Å; E926-L935 HydrophobicContact CB-CD1 3.81Å; E926-L935 WeakPolarHBondContact OE2-CD1 3.44Å; E926-R948 VanDerWaalsContact O-CZ 3.26Å; E926-R948 PolarHBondContact O-NH1 2.96Å; E926-R948 PolarHBondContact O-NH2 3.3Å
927	W	91.1	Very high	89.3	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-67.3	-44.5	-175.2	-168.2	-83.8	0	0	0	114.9	P836 M910 F915 L923 R924 L935 R948 L951 E952	P836-W927 HydrophobicContact CB-CD2 4.07Å; P836-W927 HydrophobicContact CB-CG 4.24Å; P836-W927 HydrophobicContact CB-CZ2 4.19Å; P836-W927 HydrophobicContact CG-CD2 3.58Å; P836-W927 HydrophobicContact CG-CE3 3.8Å; P836-W927 HydrophobicContact CG-CG 3.91Å; P836-W927 HydrophobicContact CG-CH2 4.37Å; P836-W927 HydrophobicContact CG-CZ2 4.2Å; P836-W927 HydrophobicContact CG-CZ3 4.18Å; M910-W927 HydrophobicContact CE-CH2 3.84Å; M910-W927 HydrophobicContact CE-CZ2 3.89Å; M910-W927 HydrophobicContact SD-CH2 4.03Å; F915-W927 AromaticContact CD1-CZ3 3.97Å; F915-W927 HydrophobicContact CD1-CZ3 3.97Å; F915-W927 HydrophobicContact CD2-CH2 4.23Å; F915-W927 HydrophobicContact CD2-CZ3 4.03Å; F915-W927 HydrophobicContact CE1-CE3 4.41Å; F915-W927 AromaticContact CE1-CZ3 3.75Å; F915-W927 HydrophobicContact CE1-CZ3 3.75Å; F915-W927 HydrophobicContact CE2-CH2 4.1Å; F915-W927 AromaticContact CE2-CZ3 3.81Å; F915-W927 HydrophobicContact CE2-CZ3 3.81Å; F915-W927 HydrophobicContact CG-CZ3 4.11Å; F915-W927 HydrophobicContact CZ-CH2 4.38Å; F915-W927 AromaticContact CZ-CZ3 3.66Å; F915-W927 HydrophobicContact CZ-CZ3 3.66Å; L923-W927 HydrophobicContact CD2-CE3 3.61Å; L923-W927 HydrophobicContact CD2-CZ3 3.92Å; L923-W927 HydrophobicContact CG-CE3 4.11Å; L923-W927 WeakPolarHBondContact O-CB 3.38Å; L923-W927 PolarHBondContact O-N 3.34Å; R924-W927 WeakPolarHBondContact O-CB 3.4Å; R924-W927 PolarHBondContact O-N 3.46Å; R924-W927 VanDerWaalsContact O-N 3.13Å; W927-L935 HydrophobicContact CE3-CD2 3.74Å; W927-L935 HydrophobicContact CZ3-CD2 4.44Å; W927-R948 HydrophobicContact CD2-CB 4.34Å; W927-R948 HydrophobicContact CD2-CG 4.39Å; W927-R948 HydrophobicContact CE3-CB 4.4Å; W927-R948 HydrophobicContact CH2-CB 3.94Å; W927-R948 HydrophobicContact CZ2-CB 3.84Å; W927-R948 VanDerWaalsContact CZ2-O 3.22Å; W927-R948 WeakPolarHBondContact CZ2-O 3.48Å; W927-R948 HydrophobicContact CZ3-CB 4.21Å; W927-R948 PolarHBondContact O-NE 3.43Å; W927-R948 VanDerWaalsContact O-NE 3.09Å; W927-R948 PolarHBondContact O-NH2 3.3Å; W927-L951 HydrophobicContact CH2-CD2 4.16Å; W927-E952 VanDerWaalsContact CD1-OE2 3.25Å; W927-E952 HydrophobicContact CZ2-CB 4.2Å; W927-E952 PolarHBondContact NE1-OE2 2.89Å
928	D	86.2	Confident	89.5	Confident	52 Å²	52	63.2 Å²	63.2	28%	0.278	33%	0.334	S	S	.	.	H	α-helix	trans	-80.1	-20.4	179.8	-73.6	-29	0	0	0	112.7	R924 R930 Y945 K949	R924-D928 VanDerWaalsContact CG-OD2 3.24Å; R924-D928 WeakPolarHBondContact CG-OD2 3.11Å; R924-D928 IonicContact NE-OD2 3.66Å; R924-D928 PolarHBondContact NE-OD2 3.48Å; R924-D928 VanDerWaalsContact NE-OD2 3.14Å; R924-D928 PolarHBondContact O-N 2.92Å; D928-R930 PolarHBondContact O-N 3.48Å; D928-R930 VanDerWaalsContact O-N 3.15Å; D928-Y945 WeakPolarHBondContact O-CE2 2.91Å; D928-K949 IonicContact OD1-NZ 2.68Å; D928-K949 PolarHBondContact OD1-NZ 3.49Å
929	S	86.9	Confident	89.6	Confident	46 Å²	46	63.4 Å²	63.4	32%	0.322	33%	0.325	S	S	.	.			trans	-72.3	105.5	-177.3	179.2	0	0	0	0	112.5	K925 A931 V932 R948	K925-S929 VanDerWaalsContact O-CB 3.31Å; K925-S929 WeakPolarHBondContact O-CB 3.32Å; S929-A931 PolarHBondContact O-N 3Å; S929-V932 PolarHBondContact O-N 2.97Å; S929-R948 PolarHBondContact O-NH2 3.1Å
930	R	83.8	Confident	89.6	Confident	107 Å²	107	61.7 Å²	61.7	40%	0.404	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-21.8	175.1	-66.4	-173.6	-171.8	167.3	10.9	114.1	D141 D928 V932 N933 Y945	D141-R930 PolarHBondContact O-NH1 3.06Å; D141-R930 PolarHBondContact O-NH2 2.98Å; D928-R930 PolarHBondContact O-N 3.48Å; D928-R930 VanDerWaalsContact O-N 3.15Å; R930-V932 VanDerWaalsContact C-N 3.35Å; R930-N933 PolarHBondContact O-ND2 3.27Å; R930-Y945 HydrophobicContact CB-CD2 4.47Å; R930-Y945 HydrophobicContact CG-CD1 4.31Å; R930-Y945 HydrophobicContact CG-CD2 4.12Å; R930-Y945 HydrophobicContact CG-CE1 3.93Å; R930-Y945 HydrophobicContact CG-CE2 3.72Å; R930-Y945 HydrophobicContact CG-CG 4.39Å
931	A	87.2	Confident	89.8	Confident	88 Å²	88	66.7 Å²	66.7	73%	0.727	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-27.1	176.8	0	0	0	0	0	113.3	S929	S929-A931 PolarHBondContact O-N 3Å
932	V	89.1	Confident	89.9	Confident	36 Å²	36	66.9 Å²	66.9	22%	0.218	36%	0.359	C	S	.	.			trans	-85.8	118.1	177.5	-177	0	0	0	0	109	S929 R930 L935 R948	S929-V932 PolarHBondContact O-N 2.97Å; R930-V932 VanDerWaalsContact C-N 3.35Å; V932-L935 HydrophobicContact CG1-CB 3.95Å; V932-R948 PolarHBondContact O-NH2 3.46Å
933	N	90.9	Very high	90.2	Very high	79 Å²	79	66.8 Å²	66.8	42%	0.422	35%	0.345	S	S	.	.			trans	-125.7	8.8	178.5	-77.2	-72.2	0	0	0	113.5	R930 W943 T944 Y945	R930-N933 PolarHBondContact O-ND2 3.27Å; N933-W943 CarbonylContact C-O 3.48Å; N933-W943 CarbonylContact O-C 3.28Å; N933-T944 WeakPolarHBondContact O-CA 3.48Å; N933-Y945 WeakPolarHBondContact OD1-CB 3.45Å; N933-Y945 PolarHBondContact OD1-N 3.1Å
934	D	91.4	Very high	90.4	Very high	92 Å²	92	69.1 Å²	69.1	49%	0.492	36%	0.359	S	S	.	.			trans	-133.1	27.8	-173.3	59.6	-33.1	0	0	0	111.4	Q936 Q942	D934-Q936 PolarHBondContact O-N 3.4Å; D934-Q942 HydrophobicContact CB-CG 4.41Å
935	L	91.4	Very high	90.5	Very high	5 Å²	5	70.4 Å²	70.4	3%	0.026	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	119.3	-175.7	178.3	59	0	0	0	110.7	F915 L923 E926 W927 V932 W943 R948	F915-L935 HydrophobicContact CE1-CD2 4.36Å; L923-L935 HydrophobicContact CD1-CD1 4.04Å; L923-L935 HydrophobicContact CD1-CD2 4.17Å; L923-L935 HydrophobicContact CG-CD2 4.43Å; E926-L935 HydrophobicContact CB-CD1 3.81Å; E926-L935 WeakPolarHBondContact OE2-CD1 3.44Å; W927-L935 HydrophobicContact CE3-CD2 3.74Å; W927-L935 HydrophobicContact CZ3-CD2 4.44Å; V932-L935 HydrophobicContact CG1-CB 3.95Å; L935-W943 PolarHBondContact N-O 3.22Å; L935-W943 PolarHBondContact O-N 3.23Å; L935-R948 VanDerWaalsContact CD2-NH1 3.3Å
936	Q	91.4	Very high	90.7	Very high	109 Å²	109	66.1 Å²	66.1	51%	0.509	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	126.5	178.9	-68.4	-176.7	-2	0	0	112.1	R919 D934 Q941 Q942	R919-Q936 PolarHBondContact NE-O 3.15Å; R919-Q936 PolarHBondContact NH2-O 3.13Å; D934-Q936 PolarHBondContact O-N 3.4Å; Q936-Q941 WeakPolarHBondContact CA-O 3.4Å; Q936-Q942 HydrophobicContact CG-CG 4.27Å
937	D	92.3	Very high	90.8	Very high	9 Å²	9	66.5 Å²	66.5	5%	0.048	36%	0.362	C	S	.	.			trans	-80.7	-178.8	169.7	77.3	8.4	0	0	0	112.2	G914 F915 Y939 G940 Q941 W943	G914-D937 WeakPolarHBondContact O-CB 3.41Å; F915-D937 HydrophobicContact CD1-CB 4.05Å; F915-D937 HydrophobicContact CD2-CB 4.32Å; F915-D937 HydrophobicContact CE1-CB 3.67Å; F915-D937 HydrophobicContact CE2-CB 3.97Å; F915-D937 HydrophobicContact CG-CB 4.36Å; F915-D937 HydrophobicContact CZ-CB 3.63Å; D937-Y939 PolarHBondContact O-N 3.07Å; D937-Y939 VanDerWaalsContact OD1-C 3.28Å; D937-Y939 VanDerWaalsContact OD1-CA 3.31Å; D937-Y939 WeakPolarHBondContact OD1-CA 3.45Å; D937-Y939 PolarHBondContact OD1-N 3.3Å; D937-G940 PolarHBondContact O-N 3.48Å; D937-G940 PolarHBondContact OD1-N 2.82Å; D937-Q941 PolarHBondContact N-O 3.25Å; D937-Q941 PolarHBondContact OD1-N 2.84Å; D937-Q941 WeakPolarHBondContact OD2-CB 3.1Å; D937-Q941 PolarHBondContact OD2-NE2 2.78Å; D937-W943 PolarHBondContact OD2-NE1 2.96Å
938	S	92.9	Very high	90.9	Very high	46 Å²	46	66.5 Å²	66.5	32%	0.322	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-13.2	180	-55.5	0	0	0	0	114.2	G914 L916 R919	G914-S938 WeakPolarHBondContact O-CA 3.13Å; G914-S938 WeakPolarHBondContact O-CB 3.26Å; G914-S938 PolarHBondContact O-N 3.4Å; G914-S938 PolarHBondContact O-OG 3.09Å; L916-S938 WeakPolarHBondContact CB-OG 3.16Å; L916-S938 PolarHBondContact N-OG 3Å; L916-S938 VanDerWaalsContact N-OG 3.1Å; R919-S938 WeakPolarHBondContact CB-OG 3.42Å
939	Y	92.7	Very high	91.2	Very high	153 Å²	153	64.9 Å²	64.9	60%	0.6	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	1.3	174.7	-62	-54.7	0	0	0	112.8	G914 D937	G914-Y939 VanDerWaalsContact CA-CD2 3.5Å; D937-Y939 PolarHBondContact O-N 3.07Å; D937-Y939 VanDerWaalsContact OD1-C 3.28Å; D937-Y939 VanDerWaalsContact OD1-CA 3.31Å; D937-Y939 WeakPolarHBondContact OD1-CA 3.45Å; D937-Y939 PolarHBondContact OD1-N 3.3Å
940	G	90.1	Very high	91.5	Very high	48 Å²	48	65.5 Å²	65.5	50%	0.495	35%	0.354	S	S	.	.	S	Bend	trans	82	11.8	179.8	0	0	0	0	0	114.9	D937	D937-G940 PolarHBondContact O-N 3.48Å; D937-G940 PolarHBondContact OD1-N 2.82Å
941	Q	93.1	Very high	92	Very high	105 Å²	105	60.8 Å²	60.8	49%	0.491	34%	0.337	S	S	.	.			trans	-79.5	146.1	175	-50.4	174.4	87.5	0	0	110.4	Q936 D937	Q936-Q941 WeakPolarHBondContact CA-O 3.4Å; D937-Q941 PolarHBondContact N-O 3.25Å; D937-Q941 PolarHBondContact OD1-N 2.84Å; D937-Q941 WeakPolarHBondContact OD2-CB 3.1Å; D937-Q941 PolarHBondContact OD2-NE2 2.78Å
942	Q	93.2	Very high	92.3	Very high	126 Å²	126	57 Å²	57	59%	0.589	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	125.1	-179.9	-70.6	-178.2	-41.2	0	0	111.5	D934 Q936	D934-Q942 HydrophobicContact CB-CG 4.41Å; Q936-Q942 HydrophobicContact CG-CG 4.27Å
943	W	94.3	Very high	92.5	Very high	43 Å²	43	56.8 Å²	56.8	16%	0.163	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	125.7	-178.1	-71.5	76	0	0	0	112.2	N913 F915 N933 L935 D937 N947 R948 L951	N913-W943 HydrophobicContact CB-CH2 4.41Å; N913-W943 WeakPolarHBondContact O-CZ2 3.43Å; F915-W943 AromaticContact CE2-CD1 3.95Å; F915-W943 AromaticContact CE2-CD2 3.9Å; F915-W943 HydrophobicContact CE2-CD2 3.9Å; F915-W943 AromaticContact CE2-CE2 3.77Å; F915-W943 HydrophobicContact CE2-CE3 4.48Å; F915-W943 HydrophobicContact CE2-CG 4.05Å; F915-W943 HydrophobicContact CE2-CZ2 4.3Å; F915-W943 AromaticContact CE2-NE1 3.77Å; F915-W943 HydrophobicContact CZ-CB 4.37Å; F915-W943 AromaticContact CZ-CD1 3.67Å; F915-W943 HydrophobicContact CZ-CD2 4.19Å; F915-W943 AromaticContact CZ-CG 3.84Å; F915-W943 HydrophobicContact CZ-CG 3.84Å; F915-W943 AromaticContact CZ-NE1 3.94Å; N933-W943 CarbonylContact C-O 3.48Å; N933-W943 CarbonylContact O-C 3.28Å; L935-W943 PolarHBondContact N-O 3.22Å; L935-W943 PolarHBondContact O-N 3.23Å; D937-W943 PolarHBondContact OD2-NE1 2.96Å; W943-N947 HydrophobicContact CE3-CB 3.78Å; W943-N947 HydrophobicContact CZ3-CB 4.2Å; W943-R948 HydrophobicContact CB-CB 4.43Å; W943-R948 HydrophobicContact CE3-CB 4.45Å; W943-L951 HydrophobicContact CH2-CD2 4.1Å; W943-L951 HydrophobicContact CZ3-CB 4.3Å; W943-L951 HydrophobicContact CZ3-CD2 4.11Å
944	T	94.5	Very high	92.6	Very high	50 Å²	50	53.7 Å²	53.7	31%	0.307	28%	0.284	S	S	.	.			trans	-72.7	160.5	172.5	67.8	0	0	0	0	111.6	N933 A946 N947 R948	N933-T944 WeakPolarHBondContact O-CA 3.48Å; T944-A946 VanDerWaalsContact C-N 3.27Å; T944-A946 PolarHBondContact O-N 2.85Å; T944-N947 PolarHBondContact O-N 3.5Å; T944-N947 WeakPolarHBondContact OG1-CB 3.12Å; T944-N947 PolarHBondContact OG1-N 3.39Å; T944-N947 PolarHBondContact OG1-OD1 2.96Å; T944-R948 WeakPolarHBondContact O-CG 3.43Å; T944-R948 PolarHBondContact O-N 2.76Å; T944-R948 VanDerWaalsContact O-N 3.09Å
945	Y	91.1	Very high	92.8	Very high	51 Å²	51	49.3 Å²	49.3	20%	0.2	26%	0.26	C	S	.	.	H	α-helix	trans	-55.9	-41.8	176.4	-179	-98.1	0	0	0	112.7	D928 R930 N933 R948 K949	D928-Y945 WeakPolarHBondContact O-CE2 2.91Å; R930-Y945 HydrophobicContact CB-CD2 4.47Å; R930-Y945 HydrophobicContact CG-CD1 4.31Å; R930-Y945 HydrophobicContact CG-CD2 4.12Å; R930-Y945 HydrophobicContact CG-CE1 3.93Å; R930-Y945 HydrophobicContact CG-CE2 3.72Å; R930-Y945 HydrophobicContact CG-CG 4.39Å; N933-Y945 WeakPolarHBondContact OD1-CB 3.45Å; N933-Y945 PolarHBondContact OD1-N 3.1Å; Y945-R948 WeakPolarHBondContact O-CG 3.39Å; Y945-K949 HydrophobicContact CD1-CG 4.42Å; Y945-K949 HydrophobicContact CD2-CG 4.39Å; Y945-K949 HydrophobicContact CE1-CG 4.05Å; Y945-K949 HydrophobicContact CE2-CG 4.02Å; Y945-K949 WeakPolarHBondContact O-CB 3.3Å; Y945-K949 WeakPolarHBondContact O-CG 3.42Å; Y945-K949 PolarHBondContact O-N 2.94Å; Y945-K949 VanDerWaalsContact O-N 3.1Å
946	A	90.2	Very high	92.9	Very high	61 Å²	61	49.7 Å²	49.7	50%	0.504	26%	0.262	S	S	.	.	H	α-helix	trans	-63.5	-48.9	176.9	0	0	0	0	0	112.1	T944 R948 K949 V950	T944-A946 VanDerWaalsContact C-N 3.27Å; T944-A946 PolarHBondContact O-N 2.85Å; A946-R948 PolarHBondContact O-N 3.11Å; A946-K949 PolarHBondContact O-N 3.05Å; A946-V950 WeakPolarHBondContact O-CG2 3.35Å; A946-V950 PolarHBondContact O-N 2.98Å
947	N	93	Very high	93	Very high	90 Å²	90	44.5 Å²	44.5	48%	0.481	24%	0.237	S	C	.	.	H	α-helix	trans	-64.7	-41.1	-175.3	-68.1	1.7	0	0	0	112.1	W943 T944 V950 L951	W943-N947 HydrophobicContact CE3-CB 3.78Å; W943-N947 HydrophobicContact CZ3-CB 4.2Å; T944-N947 PolarHBondContact O-N 3.5Å; T944-N947 WeakPolarHBondContact OG1-CB 3.12Å; T944-N947 PolarHBondContact OG1-N 3.39Å; T944-N947 PolarHBondContact OG1-OD1 2.96Å; N947-V950 PolarHBondContact O-N 3.2Å; N947-L951 PolarHBondContact O-N 2.72Å; N947-L951 VanDerWaalsContact O-N 3.12Å
948	R	93.6	Very high	93.2	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-72.7	-32.3	177.6	71	-168.7	170.7	174.7	0.6	113	E926 W927 S929 V932 L935 W943 T944 Y945 A946 L951 E952	E926-R948 VanDerWaalsContact O-CZ 3.26Å; E926-R948 PolarHBondContact O-NH1 2.96Å; E926-R948 PolarHBondContact O-NH2 3.3Å; W927-R948 HydrophobicContact CD2-CB 4.34Å; W927-R948 HydrophobicContact CD2-CG 4.39Å; W927-R948 HydrophobicContact CE3-CB 4.4Å; W927-R948 HydrophobicContact CH2-CB 3.94Å; W927-R948 HydrophobicContact CZ2-CB 3.84Å; W927-R948 VanDerWaalsContact CZ2-O 3.22Å; W927-R948 WeakPolarHBondContact CZ2-O 3.48Å; W927-R948 HydrophobicContact CZ3-CB 4.21Å; W927-R948 PolarHBondContact O-NE 3.43Å; W927-R948 VanDerWaalsContact O-NE 3.09Å; W927-R948 PolarHBondContact O-NH2 3.3Å; S929-R948 PolarHBondContact O-NH2 3.1Å; V932-R948 PolarHBondContact O-NH2 3.46Å; L935-R948 VanDerWaalsContact CD2-NH1 3.3Å; W943-R948 HydrophobicContact CB-CB 4.43Å; W943-R948 HydrophobicContact CE3-CB 4.45Å; T944-R948 WeakPolarHBondContact O-CG 3.43Å; T944-R948 PolarHBondContact O-N 2.76Å; T944-R948 VanDerWaalsContact O-N 3.09Å; Y945-R948 WeakPolarHBondContact O-CG 3.39Å; A946-R948 PolarHBondContact O-N 3.11Å; R948-L951 WeakPolarHBondContact O-CB 3.35Å; R948-L951 PolarHBondContact O-N 3.11Å; R948-E952 PolarHBondContact O-N 2.82Å
949	K	91.8	Very high	93.3	Very high	18 Å²	18	41.9 Å²	41.9	8%	0.078	22%	0.22	C	C	.	.	H	α-helix	trans	-70.4	-33.4	172.9	-73.3	-68	177.2	-171.1	0	112.4	D928 Y945 A946 L951 E952 Y953	D928-K949 IonicContact OD1-NZ 2.68Å; D928-K949 PolarHBondContact OD1-NZ 3.49Å; Y945-K949 HydrophobicContact CD1-CG 4.42Å; Y945-K949 HydrophobicContact CD2-CG 4.39Å; Y945-K949 HydrophobicContact CE1-CG 4.05Å; Y945-K949 HydrophobicContact CE2-CG 4.02Å; Y945-K949 WeakPolarHBondContact O-CB 3.3Å; Y945-K949 WeakPolarHBondContact O-CG 3.42Å; Y945-K949 PolarHBondContact O-N 2.94Å; Y945-K949 VanDerWaalsContact O-N 3.1Å; A946-K949 PolarHBondContact O-N 3.05Å; K949-L951 VanDerWaalsContact C-N 3.33Å; K949-L951 PolarHBondContact O-N 2.91Å; K949-E952 WeakPolarHBondContact CD-OE2 3.28Å; K949-E952 WeakPolarHBondContact CE-OE2 3.46Å; K949-E952 IonicContact NZ-OE1 3.99Å; K949-E952 PolarHBondContact NZ-OE1 3.27Å; K949-E952 IonicContact NZ-OE2 2.68Å; K949-E952 PolarHBondContact NZ-OE2 2.85Å; K949-E952 PolarHBondContact O-N 3.35Å; K949-Y953 HydrophobicContact CB-CE2 4.23Å; K949-Y953 WeakPolarHBondContact O-CD2 3.06Å; K949-Y953 PolarHBondContact O-N 2.96Å
950	V	92.9	Very high	93.4	Very high	60 Å²	60	34.6 Å²	34.6	36%	0.364	19%	0.191	S	C	.	.	H	α-helix	trans	-59.9	-42.8	167	169.2	0	0	0	0	111.2	A946 N947 Y953 T954 Y1018	A946-V950 WeakPolarHBondContact O-CG2 3.35Å; A946-V950 PolarHBondContact O-N 2.98Å; N947-V950 PolarHBondContact O-N 3.2Å; V950-Y953 PolarHBondContact O-N 3.31Å; V950-T954 WeakPolarHBondContact O-CB 3.43Å; V950-T954 PolarHBondContact O-N 2.84Å; V950-T954 PolarHBondContact O-OG1 2.96Å; V950-Y1018 HydrophobicContact CB-CE1 4.35Å; V950-Y1018 HydrophobicContact CG1-CD1 3.95Å; V950-Y1018 HydrophobicContact CG1-CE1 3.76Å; V950-Y1018 HydrophobicContact CG2-CE1 4.02Å
951	L	94	Very high	93.7	Very high	7 Å²	7	32.3 Å²	32.3	4%	0.037	17%	0.168	C	C	.	.	H	α-helix	trans	-65	-42.5	175.3	-180	57	0	0	0	112.3	I909 M910 N913 F915 W927 W943 N947 R948 K949 Y953 T954 C955	I909-L951 HydrophobicContact CG2-CD1 4.13Å; M910-L951 HydrophobicContact SD-CD2 4.08Å; M910-L951 HydrophobicContact SD-CG 4.17Å; N913-L951 HydrophobicContact CB-CD1 3.69Å; N913-L951 HydrophobicContact CB-CD2 3.69Å; N913-L951 HydrophobicContact CB-CG 4.38Å; F915-L951 HydrophobicContact CD2-CD2 3.81Å; F915-L951 HydrophobicContact CE2-CD2 3.96Å; W927-L951 HydrophobicContact CH2-CD2 4.16Å; W943-L951 HydrophobicContact CH2-CD2 4.1Å; W943-L951 HydrophobicContact CZ3-CB 4.3Å; W943-L951 HydrophobicContact CZ3-CD2 4.11Å; N947-L951 PolarHBondContact O-N 2.72Å; N947-L951 VanDerWaalsContact O-N 3.12Å; R948-L951 WeakPolarHBondContact O-CB 3.35Å; R948-L951 PolarHBondContact O-N 3.11Å; K949-L951 VanDerWaalsContact C-N 3.33Å; K949-L951 PolarHBondContact O-N 2.91Å; L951-Y953 PolarHBondContact O-N 2.67Å; L951-T954 CarbonylContact O-C 3.33Å; L951-T954 WeakPolarHBondContact O-CB 3.11Å; L951-T954 PolarHBondContact O-N 3.49Å; L951-C955 PolarHBondContact O-N 3.23Å; L951-C955 PolarHBondContact O-SG 3.06Å; L951-C955 VanDerWaalsContact O-SG 3.41Å
952	E	93.6	Very high	93.8	Very high	10 Å²	10	27.4 Å²	27.4	5%	0.047	15%	0.145	C	C	.	.	H	α-helix	trans	-57.8	-47.7	173.9	177.7	178.6	125.9	0	0	112.3	W927 R948 K949 T954 C955 H956	W927-E952 VanDerWaalsContact CD1-OE2 3.25Å; W927-E952 HydrophobicContact CZ2-CB 4.2Å; W927-E952 PolarHBondContact NE1-OE2 2.89Å; R948-E952 PolarHBondContact O-N 2.82Å; K949-E952 WeakPolarHBondContact CD-OE2 3.28Å; K949-E952 WeakPolarHBondContact CE-OE2 3.46Å; K949-E952 IonicContact NZ-OE1 3.99Å; K949-E952 PolarHBondContact NZ-OE1 3.27Å; K949-E952 IonicContact NZ-OE2 2.68Å; K949-E952 PolarHBondContact NZ-OE2 2.85Å; K949-E952 PolarHBondContact O-N 3.35Å; E952-T954 VanDerWaalsContact C-N 3.29Å; E952-T954 PolarHBondContact O-N 2.92Å; E952-C955 CarbonylContact O-C 3.46Å; E952-C955 WeakPolarHBondContact O-CA 3.43Å; E952-C955 VanDerWaalsContact O-CB 3.32Å; E952-C955 WeakPolarHBondContact O-CB 3.47Å; E952-C955 PolarHBondContact O-N 2.98Å; E952-C955 VanDerWaalsContact O-N 3.09Å; E952-H956 PolarHBondContact O-CD2 2.67Å; E952-H956 VanDerWaalsContact O-CD2 3.27Å; E952-H956 PolarHBondContact O-N 2.75Å
953	Y	93.1	Very high	93.9	Very high	31 Å²	31	21.4 Å²	21.4	12%	0.122	12%	0.117	C	C	.	.	H	α-helix	trans	-67.9	-29.9	177	-59.2	-29.6	0	0	0	112.8	K949 V950 L951 H956 T957 R1016 Y1018	K949-Y953 HydrophobicContact CB-CE2 4.23Å; K949-Y953 WeakPolarHBondContact O-CD2 3.06Å; K949-Y953 PolarHBondContact O-N 2.96Å; V950-Y953 PolarHBondContact O-N 3.31Å; L951-Y953 PolarHBondContact O-N 2.67Å; Y953-H956 AromaticContact CD1-ND1 3.87Å; Y953-H956 PolarHBondContact O-N 3.22Å; Y953-T957 PolarHBondContact O-N 2.72Å; Y953-T957 PolarHBondContact O-OG1 3.02Å; Y953-R1016 HydrophobicContact CD1-CB 4.28Å; Y953-R1016 HydrophobicContact CD2-CB 4.27Å; Y953-R1016 HydrophobicContact CE2-CG 4.46Å; Y953-R1016 HydrophobicContact CG-CB 4.07Å; Y953-R1016 PolarHBondContact OH-NH1 2.83Å; Y953-Y1018 VanDerWaalsContact CB-CD2 3.5Å; Y953-Y1018 AromaticContact CD2-CE2 3.75Å; Y953-Y1018 HydrophobicContact CD2-CE2 3.75Å; Y953-Y1018 HydrophobicContact CG-CE2 4.1Å
954	T	94.3	Very high	94	Very high	14 Å²	14	19.3 Å²	19.3	9%	0.086	11%	0.109	C	C	.	.	H	α-helix	trans	-65.8	-40.7	168.8	-55.2	0	0	0	0	111.1	I909 V950 L951 E952 T957 G958 L1020 W1024	I909-T954 HydrophobicContact CG2-CG2 4.4Å; V950-T954 WeakPolarHBondContact O-CB 3.43Å; V950-T954 PolarHBondContact O-N 2.84Å; V950-T954 PolarHBondContact O-OG1 2.96Å; L951-T954 CarbonylContact O-C 3.33Å; L951-T954 WeakPolarHBondContact O-CB 3.11Å; L951-T954 PolarHBondContact O-N 3.49Å; E952-T954 VanDerWaalsContact C-N 3.29Å; E952-T954 PolarHBondContact O-N 2.92Å; T954-T957 PolarHBondContact O-N 3.46Å; T954-G958 PolarHBondContact O-N 3.15Å; T954-L1020 HydrophobicContact CG2-CD2 4.05Å; T954-W1024 HydrophobicContact CG2-CE3 4.22Å; T954-W1024 HydrophobicContact CG2-CH2 4.09Å; T954-W1024 HydrophobicContact CG2-CZ3 3.44Å; T954-W1024 VanDerWaalsContact CG2-CZ3 3.44Å
955	C	94.9	Very high	94	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-64	-43.4	173	-72.7	0	0	0	0	112.4	Y906 I909 L951 E952 T957 G958 F959	Y906-C955 HydrophobicContact CD2-CB 3.91Å; Y906-C955 HydrophobicContact CE2-CB 4.26Å; I909-C955 VanDerWaalsContact CG2-SG 3.51Å; L951-C955 PolarHBondContact O-N 3.23Å; L951-C955 PolarHBondContact O-SG 3.06Å; L951-C955 VanDerWaalsContact O-SG 3.41Å; E952-C955 CarbonylContact O-C 3.46Å; E952-C955 WeakPolarHBondContact O-CA 3.43Å; E952-C955 VanDerWaalsContact O-CB 3.32Å; E952-C955 WeakPolarHBondContact O-CB 3.47Å; E952-C955 PolarHBondContact O-N 2.98Å; E952-C955 VanDerWaalsContact O-N 3.09Å; C955-T957 VanDerWaalsContact C-N 3.26Å; C955-T957 PolarHBondContact O-N 3.01Å; C955-G958 PolarHBondContact O-N 2.97Å; C955-F959 WeakPolarHBondContact O-CB 3.12Å; C955-F959 PolarHBondContact O-N 2.85Å
956	H	93.9	Very high	94.3	Very high	12 Å²	12	14.6 Å²	14.6	6%	0.056	9%	0.085	C	C	.	.	H	α-helix	trans	-55.3	-44	172.4	-65.6	-178.7	0	0	0	111.3	L837 P838 T843 E952 Y953 F959 F960	L837-H956 PolarHBondContact O-CD2 3.07Å; L837-H956 VanDerWaalsContact O-CD2 3.31Å; L837-H956 PolarHBondContact O-NE2 3.17Å; P838-H956 WeakPolarHBondContact O-CA 3.31Å; T843-H956 HydrophobicContact CG2-CB 4.06Å; E952-H956 PolarHBondContact O-CD2 2.67Å; E952-H956 VanDerWaalsContact O-CD2 3.27Å; E952-H956 PolarHBondContact O-N 2.75Å; Y953-H956 AromaticContact CD1-ND1 3.87Å; Y953-H956 PolarHBondContact O-N 3.22Å; H956-F959 PolarHBondContact O-N 3.35Å; H956-F960 VanDerWaalsContact O-CB 3.3Å; H956-F960 WeakPolarHBondContact O-CB 3.24Å; H956-F960 PolarHBondContact O-N 3.2Å
957	T	94.6	Very high	94.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-68.7	-38.1	-179.8	-45.9	0	0	0	0	111.6	Y953 T954 C955 F960 V961 C1006 M1017 Y1018 L1020	Y953-T957 PolarHBondContact O-N 2.72Å; Y953-T957 PolarHBondContact O-OG1 3.02Å; T954-T957 PolarHBondContact O-N 3.46Å; C955-T957 VanDerWaalsContact C-N 3.26Å; C955-T957 PolarHBondContact O-N 3.01Å; T957-F960 WeakPolarHBondContact O-CB 3.16Å; T957-F960 PolarHBondContact O-N 3.15Å; T957-V961 PolarHBondContact O-N 3.1Å; T957-C1006 HydrophobicContact CG2-CB 4.3Å; T957-C1006 WeakPolarHBondContact CG2-SG 3.15Å; T957-M1017 HydrophobicContact CG2-CB 4.15Å; T957-M1017 HydrophobicContact CG2-CG 4.37Å; T957-M1017 WeakPolarHBondContact OG1-CA 3.38Å; T957-Y1018 WeakPolarHBondContact CG2-O 3.33Å; T957-Y1018 PolarHBondContact OG1-N 3.34Å; T957-L1020 HydrophobicContact CG2-CD1 4.22Å; T957-L1020 HydrophobicContact CG2-CD2 4.25Å; T957-L1020 HydrophobicContact CG2-CG 4.05Å
958	G	94.9	Very high	94.7	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-69.5	-36.1	175.9	0	0	0	0	0	113.5	T954 C955 S962	T954-G958 PolarHBondContact O-N 3.15Å; C955-G958 PolarHBondContact O-N 2.97Å; G958-S962 WeakPolarHBondContact O-CB 3.19Å; G958-S962 PolarHBondContact O-N 3.02Å; G958-S962 PolarHBondContact O-OG 2.96Å
959	F	95.6	Very high	94.8	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-67.3	-45.8	172.7	-157.9	-62.8	0	0	0	110.4	P822 P826 P838 L839 G902 F903 C955 H956 V961 S962 I963	P822-F959 HydrophobicContact CB-CE1 4.13Å; P822-F959 WeakPolarHBondContact O-CE1 3.07Å; P822-F959 WeakPolarHBondContact O-CZ 3.47Å; P826-F959 HydrophobicContact CG-CE1 3.98Å; P826-F959 HydrophobicContact CG-CE2 3.93Å; P826-F959 HydrophobicContact CG-CZ 3.57Å; P838-F959 HydrophobicContact CB-CD2 3.76Å; P838-F959 HydrophobicContact CB-CE2 3.89Å; P838-F959 WeakPolarHBondContact O-CB 3.21Å; L839-F959 HydrophobicContact CB-CD1 4.25Å; L839-F959 HydrophobicContact CB-CG 4.29Å; L839-F959 HydrophobicContact CD1-CB 4.04Å; L839-F959 HydrophobicContact CD1-CD1 4.01Å; L839-F959 HydrophobicContact CD1-CG 4.28Å; L839-F959 HydrophobicContact CD2-CD1 4.22Å; L839-F959 HydrophobicContact CD2-CE1 4.44Å; L839-F959 HydrophobicContact CG-CD1 4.4Å; G902-F959 VanDerWaalsContact C-CD2 3.48Å; G902-F959 VanDerWaalsContact O-CD2 3.32Å; G902-F959 WeakPolarHBondContact O-CD2 3.44Å; F903-F959 HydrophobicContact CD1-CE2 4.11Å; F903-F959 HydrophobicContact CD2-CE2 4.45Å; F903-F959 HydrophobicContact CE1-CE2 4.25Å; F903-F959 HydrophobicContact CG-CE2 4.2Å; F903-F959 HydrophobicContact CZ-CE2 4.47Å; C955-F959 WeakPolarHBondContact O-CB 3.12Å; C955-F959 PolarHBondContact O-N 2.85Å; H956-F959 PolarHBondContact O-N 3.35Å; F959-V961 PolarHBondContact O-N 3.43Å; F959-S962 WeakPolarHBondContact O-CA 3.47Å; F959-S962 VanDerWaalsContact O-CB 3.32Å; F959-S962 WeakPolarHBondContact O-CB 3.32Å; F959-S962 PolarHBondContact O-N 3.14Å; F959-I963 HydrophobicContact CD1-CD1 3.81Å; F959-I963 HydrophobicContact CD1-CG1 4.07Å; F959-I963 HydrophobicContact CE1-CD1 3.88Å; F959-I963 HydrophobicContact CE1-CG1 4.12Å; F959-I963 PolarHBondContact O-N 3.47Å
960	F	95.2	Very high	95	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-53.9	-51.8	173.1	164.1	-102.3	0	0	0	112.5	L839 C846 I847 T851 H956 T957 S962 I963 V964 A1002 L1005 M1017	L839-F960 HydrophobicContact CD1-CB 4.34Å; C846-F960 HydrophobicContact CB-CE2 4.12Å; I847-F960 HydrophobicContact CD1-CD2 4.04Å; I847-F960 HydrophobicContact CG1-CD2 3.56Å; I847-F960 HydrophobicContact CG1-CE2 3.75Å; T851-F960 HydrophobicContact CG2-CE2 4.01Å; T851-F960 HydrophobicContact CG2-CZ 3.75Å; H956-F960 VanDerWaalsContact O-CB 3.3Å; H956-F960 WeakPolarHBondContact O-CB 3.24Å; H956-F960 PolarHBondContact O-N 3.2Å; T957-F960 WeakPolarHBondContact O-CB 3.16Å; T957-F960 PolarHBondContact O-N 3.15Å; F960-S962 PolarHBondContact O-N 3.26Å; F960-I963 WeakPolarHBondContact O-CB 3.3Å; F960-I963 PolarHBondContact O-N 3.21Å; F960-I963 VanDerWaalsContact O-N 3.13Å; F960-V964 HydrophobicContact CE2-CG2 4.33Å; F960-V964 HydrophobicContact CZ-CG2 4.25Å; F960-V964 PolarHBondContact O-N 3.44Å; F960-V964 VanDerWaalsContact O-N 3.15Å; F960-A1002 HydrophobicContact CE1-CB 3.96Å; F960-A1002 HydrophobicContact CZ-CB 4.14Å; F960-L1005 HydrophobicContact CE1-CD1 4.47Å; F960-L1005 HydrophobicContact CZ-CD1 3.91Å; F960-M1017 HydrophobicContact CD1-CE 3.87Å; F960-M1017 HydrophobicContact CD1-SD 4.35Å; F960-M1017 HydrophobicContact CD2-CE 3.99Å; F960-M1017 HydrophobicContact CE1-CE 3.97Å; F960-M1017 HydrophobicContact CE1-SD 4.28Å; F960-M1017 HydrophobicContact CE2-CE 4.1Å; F960-M1017 HydrophobicContact CG-CE 3.89Å; F960-M1017 HydrophobicContact CZ-CE 4.09Å
961	V	95.2	Very high	95.1	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.006	3%	0.03	C	C	.	.	H	α-helix	trans	-62.2	-32.9	175.8	165.5	0	0	0	0	112.1	T957 F959 V964 V965 C1006 L1020 W1025	T957-V961 PolarHBondContact O-N 3.1Å; F959-V961 PolarHBondContact O-N 3.43Å; V961-V964 PolarHBondContact O-N 2.82Å; V961-V965 HydrophobicContact CG1-CG2 4.38Å; V961-V965 VanDerWaalsContact O-CG2 3.31Å; V961-V965 WeakPolarHBondContact O-CG2 3.39Å; V961-V965 PolarHBondContact O-N 3.19Å; V961-C1006 WeakPolarHBondContact CG2-SG 3.45Å; V961-L1020 HydrophobicContact CB-CD1 3.9Å; V961-L1020 HydrophobicContact CG1-CD1 4.33Å; V961-L1020 HydrophobicContact CG2-CD1 3.62Å; V961-W1025 HydrophobicContact CG1-CD2 3.48Å; V961-W1025 VanDerWaalsContact CG1-CD2 3.48Å; V961-W1025 HydrophobicContact CG1-CE3 3.57Å; V961-W1025 HydrophobicContact CG1-CG 3.94Å; V961-W1025 HydrophobicContact CG1-CH2 4.15Å; V961-W1025 HydrophobicContact CG1-CZ2 4.06Å; V961-W1025 HydrophobicContact CG1-CZ3 3.91Å; V961-W1025 HydrophobicContact CG2-CH2 4.12Å; V961-W1025 HydrophobicContact CG2-CZ2 3.84Å
962	S	96.1	Very high	95.1	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.007	4%	0.037	C	C	.	.	H	α-helix	trans	-66.9	-35.9	176.1	-61	0	0	0	0	112.7	A905 G958 F959 F960 V966	A905-S962 WeakPolarHBondContact CB-OG 3.28Å; G958-S962 WeakPolarHBondContact O-CB 3.19Å; G958-S962 PolarHBondContact O-N 3.02Å; G958-S962 PolarHBondContact O-OG 2.96Å; F959-S962 WeakPolarHBondContact O-CA 3.47Å; F959-S962 VanDerWaalsContact O-CB 3.32Å; F959-S962 WeakPolarHBondContact O-CB 3.32Å; F959-S962 PolarHBondContact O-N 3.14Å; F960-S962 PolarHBondContact O-N 3.26Å; S962-V966 WeakPolarHBondContact O-CG2 3.31Å; S962-V966 PolarHBondContact O-N 2.9Å
963	I	95.6	Very high	95.2	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-63	-50.9	172.3	-65.8	171	0	0	0	109.9	P822 E823 L839 I847 F959 F960 V965 V966 Q967	P822-I963 HydrophobicContact CB-CD1 4Å; P822-I963 HydrophobicContact CB-CG1 3.94Å; P822-I963 HydrophobicContact CG-CD1 4.35Å; P822-I963 HydrophobicContact CG-CG1 4.23Å; E823-I963 HydrophobicContact CG-CD1 4.29Å; L839-I963 HydrophobicContact CD2-CD1 3.99Å; I847-I963 HydrophobicContact CD1-CB 4.32Å; I847-I963 HydrophobicContact CD1-CD1 3.51Å; I847-I963 HydrophobicContact CD1-CG2 4.16Å; I847-I963 HydrophobicContact CG2-CG2 4.32Å; F959-I963 HydrophobicContact CD1-CD1 3.81Å; F959-I963 HydrophobicContact CD1-CG1 4.07Å; F959-I963 HydrophobicContact CE1-CD1 3.88Å; F959-I963 HydrophobicContact CE1-CG1 4.12Å; F959-I963 PolarHBondContact O-N 3.47Å; F960-I963 WeakPolarHBondContact O-CB 3.3Å; F960-I963 PolarHBondContact O-N 3.21Å; F960-I963 VanDerWaalsContact O-N 3.13Å; I963-V965 VanDerWaalsContact C-N 3.3Å; I963-V965 PolarHBondContact O-N 3.09Å; I963-V966 WeakPolarHBondContact O-CG2 3.4Å; I963-V966 PolarHBondContact O-N 3.14Å; I963-Q967 HydrophobicContact CG2-CG 3.98Å; I963-Q967 WeakPolarHBondContact O-CB 3.47Å; I963-Q967 WeakPolarHBondContact O-CG 3.46Å; I963-Q967 PolarHBondContact O-N 3.39Å
964	V	95.7	Very high	95.2	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-54.4	-44.9	177.1	172.8	0	0	0	0	111.9	T851 F960 V961 V966 Q967 W968 E998 A1002	T851-V964 HydrophobicContact CG2-CG2 3.96Å; F960-V964 HydrophobicContact CE2-CG2 4.33Å; F960-V964 HydrophobicContact CZ-CG2 4.25Å; F960-V964 PolarHBondContact O-N 3.44Å; F960-V964 VanDerWaalsContact O-N 3.15Å; V961-V964 PolarHBondContact O-N 2.82Å; V964-V966 VanDerWaalsContact C-N 3.32Å; V964-V966 PolarHBondContact O-N 3.48Å; V964-Q967 PolarHBondContact O-N 2.75Å; V964-W968 HydrophobicContact CG1-CZ2 4.43Å; V964-W968 PolarHBondContact O-N 3.24Å; V964-W968 VanDerWaalsContact O-N 3.12Å; V964-W968 PolarHBondContact O-NE1 3.48Å; V964-E998 HydrophobicContact CG1-CG 4.06Å; V964-A1002 HydrophobicContact CB-CB 4.49Å; V964-A1002 HydrophobicContact CG1-CB 4.1Å; V964-A1002 HydrophobicContact CG2-CB 4.06Å
965	V	95.9	Very high	95.2	Very high	1 Å²	1	5.9 Å²	5.9	1%	0.006	3%	0.027	C	C	.	.	H	α-helix	trans	-65.1	-30.8	179.8	169.9	0	0	0	0	113.3	V961 I963 W968 A1028 L1029 S1032	V961-V965 HydrophobicContact CG1-CG2 4.38Å; V961-V965 VanDerWaalsContact O-CG2 3.31Å; V961-V965 WeakPolarHBondContact O-CG2 3.39Å; V961-V965 PolarHBondContact O-N 3.19Å; I963-V965 VanDerWaalsContact C-N 3.3Å; I963-V965 PolarHBondContact O-N 3.09Å; V965-W968 HydrophobicContact CG1-CE3 4.38Å; V965-W968 HydrophobicContact CG1-CZ3 4.31Å; V965-W968 HydrophobicContact CG2-CH2 3.87Å; V965-W968 HydrophobicContact CG2-CZ2 4.15Å; V965-W968 HydrophobicContact CG2-CZ3 4.08Å; V965-A1028 HydrophobicContact CB-CB 3.86Å; V965-A1028 HydrophobicContact CG1-CB 3.69Å; V965-L1029 HydrophobicContact CG1-CD2 3.6Å; V965-L1029 HydrophobicContact CG1-CG 3.9Å; V965-S1032 VanDerWaalsContact O-CB 3.29Å; V965-S1032 WeakPolarHBondContact O-CB 3.44Å; V965-S1032 PolarHBondContact O-OG 3.39Å
966	V	96.8	Very high	95.2	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-85.7	-28.1	173.8	-62.6	0	0	0	0	112.9	Q898 A901 S962 I963 V964 W968 A969 D970 A1028 F1031 I1035	Q898-V966 HydrophobicContact CB-CG2 3.7Å; Q898-V966 HydrophobicContact CG-CB 4Å; Q898-V966 HydrophobicContact CG-CG2 3.47Å; Q898-V966 VanDerWaalsContact CG-CG2 3.47Å; A901-V966 HydrophobicContact CB-CG1 3.76Å; S962-V966 WeakPolarHBondContact O-CG2 3.31Å; S962-V966 PolarHBondContact O-N 2.9Å; I963-V966 WeakPolarHBondContact O-CG2 3.4Å; I963-V966 PolarHBondContact O-N 3.14Å; V964-V966 VanDerWaalsContact C-N 3.32Å; V964-V966 PolarHBondContact O-N 3.48Å; V966-W968 PolarHBondContact O-N 3.46Å; V966-A969 PolarHBondContact O-N 3.41Å; V966-A969 VanDerWaalsContact O-N 3.09Å; V966-D970 PolarHBondContact O-N 3.01Å; V966-A1028 HydrophobicContact CG1-CB 4.37Å; V966-F1031 HydrophobicContact CG1-CB 4.2Å; V966-I1035 HydrophobicContact CB-CD1 3.92Å; V966-I1035 HydrophobicContact CG1-CD1 4.28Å
967	Q	95.8	Very high	95.1	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-64.7	-26.7	171.9	-74.5	-64.1	69.5	0	0	112.4	Y815 D852 I963 V964 A969 D970 L971 E998	Y815-Q967 HydrophobicContact CE2-CB 4.03Å; Y815-Q967 HydrophobicContact CE2-CG 4.32Å; Y815-Q967 PolarHBondContact O-NE2 3.04Å; D852-Q967 PolarHBondContact OD2-NE2 3.38Å; I963-Q967 HydrophobicContact CG2-CG 3.98Å; I963-Q967 WeakPolarHBondContact O-CB 3.47Å; I963-Q967 WeakPolarHBondContact O-CG 3.46Å; I963-Q967 PolarHBondContact O-N 3.39Å; V964-Q967 PolarHBondContact O-N 2.75Å; Q967-A969 VanDerWaalsContact C-N 3.32Å; Q967-A969 PolarHBondContact O-N 3.08Å; Q967-D970 PolarHBondContact O-N 2.88Å; Q967-D970 VanDerWaalsContact OE1-CB 3.26Å; Q967-L971 WeakPolarHBondContact O-CB 3.2Å; Q967-L971 PolarHBondContact O-N 3.44Å; Q967-E998 WeakPolarHBondContact CB-OE1 3.15Å
968	W	95.4	Very high	95	Very high	60 Å²	60	9.8 Å²	9.8	23%	0.227	4%	0.042	C	C	.	.	H	α-helix	trans	-56.7	-44.6	168	-60.1	-13.3	0	0	0	112.7	V964 V965 V966 I972 L995 T999 L1029	V964-W968 HydrophobicContact CG1-CZ2 4.43Å; V964-W968 PolarHBondContact O-N 3.24Å; V964-W968 VanDerWaalsContact O-N 3.12Å; V964-W968 PolarHBondContact O-NE1 3.48Å; V965-W968 HydrophobicContact CG1-CE3 4.38Å; V965-W968 HydrophobicContact CG1-CZ3 4.31Å; V965-W968 HydrophobicContact CG2-CH2 3.87Å; V965-W968 HydrophobicContact CG2-CZ2 4.15Å; V965-W968 HydrophobicContact CG2-CZ3 4.08Å; V966-W968 PolarHBondContact O-N 3.46Å; W968-I972 WeakPolarHBondContact O-CD1 3.38Å; W968-I972 VanDerWaalsContact O-CG1 3.23Å; W968-I972 WeakPolarHBondContact O-CG1 3.33Å; W968-I972 PolarHBondContact O-N 3Å; W968-L995 HydrophobicContact CB-CD2 4.1Å; W968-L995 HydrophobicContact CG-CD2 4.21Å; W968-T999 HydrophobicContact CH2-CG2 4.46Å; W968-T999 HydrophobicContact CZ2-CG2 3.79Å; W968-T999 VanDerWaalsContact CZ2-OG1 3.24Å; W968-T999 WeakPolarHBondContact CZ2-OG1 3.4Å; W968-T999 PolarHBondContact NE1-OG1 3.43Å; W968-T999 VanDerWaalsContact NE1-OG1 3.17Å; W968-L1029 HydrophobicContact CZ3-CD2 4.12Å
969	A	95.5	Very high	94.9	Very high	5 Å²	5	11.3 Å²	11.3	4%	0.041	5%	0.049	C	C	.	.	H	α-helix	trans	-71.7	-40.5	175.9	0	0	0	0	0	111	V966 Q967 L971 I972 I973 S1032 I1035	V966-A969 PolarHBondContact O-N 3.41Å; V966-A969 VanDerWaalsContact O-N 3.09Å; Q967-A969 VanDerWaalsContact C-N 3.32Å; Q967-A969 PolarHBondContact O-N 3.08Å; A969-L971 PolarHBondContact O-N 2.99Å; A969-I972 PolarHBondContact O-N 3.38Å; A969-I973 WeakPolarHBondContact O-CG1 3.31Å; A969-I973 PolarHBondContact O-N 3.42Å; A969-S1032 WeakPolarHBondContact CB-O 3.28Å; A969-S1032 VanDerWaalsContact CB-OG 3.31Å; A969-S1032 WeakPolarHBondContact CB-OG 3.46Å; A969-I1035 HydrophobicContact CB-CB 4.15Å; A969-I1035 HydrophobicContact CB-CG2 4.03Å
970	D	96.2	Very high	94.8	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-61.6	-43.3	-179.8	-159.1	55.7	0	0	0	112.5	Y815 T818 I894 V966 Q967 I972 I973 S974	Y815-D970 WeakPolarHBondContact CA-OD2 3.05Å; Y815-D970 HydrophobicContact CD2-CB 4.13Å; Y815-D970 WeakPolarHBondContact CD2-OD2 3.24Å; Y815-D970 HydrophobicContact CE2-CB 4.41Å; T818-D970 WeakPolarHBondContact CB-OD2 3.48Å; T818-D970 PolarHBondContact OG1-OD2 3.27Å; I894-D970 WeakPolarHBondContact CG2-OD1 3.29Å; V966-D970 PolarHBondContact O-N 3.01Å; Q967-D970 PolarHBondContact O-N 2.88Å; Q967-D970 VanDerWaalsContact OE1-CB 3.26Å; D970-I972 VanDerWaalsContact C-N 3.32Å; D970-I972 PolarHBondContact O-N 2.91Å; D970-I973 VanDerWaalsContact O-CG1 3.26Å; D970-I973 WeakPolarHBondContact O-CG1 3.31Å; D970-I973 PolarHBondContact O-N 3.13Å; D970-S974 VanDerWaalsContact O-CB 3.24Å; D970-S974 WeakPolarHBondContact O-CB 3.35Å; D970-S974 PolarHBondContact O-N 3.15Å; D970-S974 PolarHBondContact O-OG 3.43Å
971	L	95.3	Very high	94.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-60.6	-41.6	175.2	-173.1	66.5	0	0	0	111.9	Y815 P855 L859 Q967 A969 K975 L991 L995	Y815-L971 HydrophobicContact CD2-CB 4.15Å; Y815-L971 HydrophobicContact CD2-CD1 4.25Å; Y815-L971 HydrophobicContact CE2-CB 3.85Å; Y815-L971 HydrophobicContact CE2-CD1 4.23Å; Y815-L971 HydrophobicContact CG-CD1 4.48Å; P855-L971 HydrophobicContact CB-CD1 3.82Å; P855-L971 HydrophobicContact CB-CD2 3.81Å; P855-L971 HydrophobicContact CB-CG 4.37Å; P855-L971 HydrophobicContact CG-CD2 4.5Å; L859-L971 HydrophobicContact CD1-CD1 3.82Å; L859-L971 HydrophobicContact CD2-CD1 4.06Å; L859-L971 HydrophobicContact CG-CD1 3.77Å; Q967-L971 WeakPolarHBondContact O-CB 3.2Å; Q967-L971 PolarHBondContact O-N 3.44Å; A969-L971 PolarHBondContact O-N 2.99Å; L971-K975 PolarHBondContact O-N 3.27Å; L971-K975 VanDerWaalsContact O-N 3.1Å; L971-L991 HydrophobicContact CD1-CD1 4.37Å; L971-L991 HydrophobicContact CD1-CG 4.36Å; L971-L991 HydrophobicContact CD2-CD2 3.81Å; L971-L991 HydrophobicContact CD2-CG 3.74Å; L971-L991 HydrophobicContact CG-CD1 4.14Å; L971-L991 HydrophobicContact CG-CD2 4.11Å; L971-L991 HydrophobicContact CG-CG 3.91Å; L971-L995 HydrophobicContact CB-CD2 4.37Å; L971-L995 HydrophobicContact CD2-CD1 4.42Å; L971-L995 HydrophobicContact CD2-CD2 3.51Å; L971-L995 HydrophobicContact CD2-CG 3.68Å
972	I	94.6	Very high	94.3	Very high	37 Å²	37	19.7 Å²	19.7	19%	0.19	10%	0.1	C	C	.	.	H	α-helix	trans	-68.4	-33.1	178.9	-69.2	170	0	0	0	111.7	W968 A969 D970 K975 L981 M986 L995 F1036	W968-I972 WeakPolarHBondContact O-CD1 3.38Å; W968-I972 VanDerWaalsContact O-CG1 3.23Å; W968-I972 WeakPolarHBondContact O-CG1 3.33Å; W968-I972 PolarHBondContact O-N 3Å; A969-I972 PolarHBondContact O-N 3.38Å; D970-I972 VanDerWaalsContact C-N 3.32Å; D970-I972 PolarHBondContact O-N 2.91Å; I972-K975 WeakPolarHBondContact O-CB 3.12Å; I972-L981 HydrophobicContact CG2-CD1 4.14Å; I972-L981 HydrophobicContact CG2-CD2 3.61Å; I972-L981 HydrophobicContact CG2-CG 4.49Å; I972-M986 HydrophobicContact CD1-CE 4.47Å; I972-M986 HydrophobicContact CG1-CE 4.03Å; I972-L995 HydrophobicContact CD1-CD1 4.46Å; I972-L995 HydrophobicContact CG1-CD1 4.45Å; I972-F1036 HydrophobicContact CG2-CD2 4.03Å; I972-F1036 HydrophobicContact CG2-CE2 3.97Å
973	I	94.2	Very high	93.9	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.01	13%	0.127	C	C	.	.	H	α-helix	trans	-82.4	-41.9	175.9	63.8	164.9	0	0	0	111.9	I894 A969 D970 K975 T976 I1035 F1036 D1039 R1043	I894-I973 HydrophobicContact CD1-CD1 3.63Å; I894-I973 HydrophobicContact CG1-CD1 4.27Å; I894-I973 HydrophobicContact CG2-CD1 4.44Å; A969-I973 WeakPolarHBondContact O-CG1 3.31Å; A969-I973 PolarHBondContact O-N 3.42Å; D970-I973 VanDerWaalsContact O-CG1 3.26Å; D970-I973 WeakPolarHBondContact O-CG1 3.31Å; D970-I973 PolarHBondContact O-N 3.13Å; I973-K975 PolarHBondContact O-N 2.95Å; I973-K975 VanDerWaalsContact O-N 3.1Å; I973-T976 PolarHBondContact O-N 2.73Å; I973-T976 VanDerWaalsContact O-N 3.1Å; I973-T976 VanDerWaalsContact O-O 3.11Å; I973-I1035 HydrophobicContact CD1-CG2 3.5Å; I973-I1035 HydrophobicContact CG1-CG2 4.29Å; I973-F1036 HydrophobicContact CG2-CD2 4.14Å; I973-D1039 HydrophobicContact CB-CB 3.78Å; I973-D1039 HydrophobicContact CD1-CB 3.63Å; I973-D1039 HydrophobicContact CG1-CB 4.3Å; I973-D1039 HydrophobicContact CG2-CB 3.67Å; I973-R1043 PolarHBondContact O-NH1 3.36Å
974	S	93.7	Very high	93.6	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.021	13%	0.134	C	C	.	.	H	α-helix	trans	-61.8	-20.4	175.9	-72.9	0	0	0	0	112.9	K811 D970 T976	K811-S974 VanDerWaalsContact CB-O 3.27Å; K811-S974 WeakPolarHBondContact CB-O 2.98Å; K811-S974 VanDerWaalsContact CD-O 3.31Å; K811-S974 WeakPolarHBondContact CD-O 3.42Å; K811-S974 WeakPolarHBondContact CG-O 3.4Å; D970-S974 VanDerWaalsContact O-CB 3.24Å; D970-S974 WeakPolarHBondContact O-CB 3.35Å; D970-S974 PolarHBondContact O-N 3.15Å; D970-S974 PolarHBondContact O-OG 3.43Å; S974-T976 VanDerWaalsContact C-N 3.26Å; S974-T976 PolarHBondContact O-N 3.2Å
975	K	94.2	Very high	93.4	Very high	1 Å²	1	28.5 Å²	28.5	0%	0.004	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-38	168.5	-173.6	170.1	167.1	54.6	0	114.4	K811 E862 L971 I972 I973 L981 G985 M986 L991	K811-K975 WeakPolarHBondContact CE-O 3.15Å; K811-K975 PolarHBondContact NZ-O 3.5Å; E862-K975 HydrophobicContact CG-CG 4.38Å; E862-K975 IonicContact OE1-NZ 2.71Å; E862-K975 PolarHBondContact OE1-NZ 2.63Å; E862-K975 WeakPolarHBondContact OE2-CG 3.46Å; E862-K975 IonicContact OE2-NZ 3.13Å; E862-K975 PolarHBondContact OE2-NZ 3.35Å; L971-K975 PolarHBondContact O-N 3.27Å; L971-K975 VanDerWaalsContact O-N 3.1Å; I972-K975 WeakPolarHBondContact O-CB 3.12Å; I973-K975 PolarHBondContact O-N 2.95Å; I973-K975 VanDerWaalsContact O-N 3.1Å; K975-L981 HydrophobicContact CD-CD1 4.09Å; K975-G985 WeakPolarHBondContact CE-O 3.32Å; K975-M986 HydrophobicContact CD-SD 3.68Å; K975-L991 HydrophobicContact CB-CD1 4.47Å; K975-L991 HydrophobicContact CD-CD1 4.17Å; K975-L991 HydrophobicContact CG-CD1 4.38Å
976	T	94	Very high	93.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.164	C	C	.	.			trans	-136.3	128.9	-179.3	51.6	0	0	0	0	113.8	E865 I973 S974 N979 Q984 R1043	E865-T976 HydrophobicContact CG-CG2 4.11Å; E865-T976 WeakPolarHBondContact OE1-CA 3.41Å; I973-T976 PolarHBondContact O-N 2.73Å; I973-T976 VanDerWaalsContact O-N 3.1Å; I973-T976 VanDerWaalsContact O-O 3.11Å; S974-T976 VanDerWaalsContact C-N 3.26Å; S974-T976 PolarHBondContact O-N 3.2Å; T976-N979 WeakPolarHBondContact CB-O 3.38Å; T976-N979 HydrophobicContact CG2-CB 4.16Å; T976-N979 PolarHBondContact OG1-O 3.23Å; T976-Q984 HydrophobicContact CG2-CB 3.67Å; T976-Q984 HydrophobicContact CG2-CG 3.68Å; T976-R1043 WeakPolarHBondContact O-CD 3.4Å; T976-R1043 PolarHBondContact O-NH1 2.83Å; T976-R1043 PolarHBondContact OG1-NH1 3.25Å
977	R	92.8	Very high	92.7	Very high	18 Å²	18	35.5 Å²	35.5	7%	0.068	19%	0.191	C	C	.	.	S	Bend	trans	-82.6	-32.7	179.7	-78.6	163.3	60.5	-147	2.5	113.3	D807 K811 E865 Y1059 Y1060	D807-R977 IonicContact OD1-CZ 3.1Å; D807-R977 IonicContact OD1-NH1 3.88Å; D807-R977 PolarHBondContact OD1-NH1 2.76Å; D807-R977 IonicContact OD1-NH2 2.74Å; K811-R977 HydrophobicContact CG-CG 4.38Å; E865-R977 VanDerWaalsContact CD-N 3.31Å; E865-R977 PolarHBondContact OE1-N 3.45Å; E865-R977 PolarHBondContact OE2-N 3.12Å; R977-Y1059 HydrophobicContact CB-CE2 4.04Å; R977-Y1060 HydrophobicContact CG-CD2 4.16Å; R977-Y1060 HydrophobicContact CG-CE1 4.16Å; R977-Y1060 HydrophobicContact CG-CE2 3.51Å; R977-Y1060 PolarHBondContact NE-O 3.5Å; R977-Y1060 PolarHBondContact NH2-O 2.83Å
978	R	92.3	Very high	92.6	Very high	77 Å²	77	36.2 Å²	36.2	29%	0.291	20%	0.195	S	C	.	.	S	Bend	trans	-128.3	-41.8	-176.4	-175.3	178.7	177.9	87	4.9	112.9	E865 I1046 R1047 Y1059	E865-R978 PolarHBondContact OE2-N 3.09Å; R978-I1046 HydrophobicContact CG-CG2 4.4Å; R978-R1047 HydrophobicContact CG-CG 4.3Å; R978-R1047 WeakPolarHBondContact O-CD 3.44Å; R978-R1047 WeakPolarHBondContact O-CG 3.38Å; R978-R1047 PolarHBondContact O-NH1 3.27Å; R978-Y1059 HydrophobicContact CB-CE2 3.92Å
979	N	93.1	Very high	92.4	Very high	31 Å²	31	43.1 Å²	43.1	17%	0.166	22%	0.221	C	C	.	.	S	Bend	trans	-71	155.3	-175.6	-74.8	-3.3	0	0	0	111.9	E865 T976 Q984 R1043 R1047	E865-N979 WeakPolarHBondContact CA-ND2 3.35Å; E865-N979 HydrophobicContact CG-CB 4.35Å; E865-N979 PolarHBondContact O-ND2 3.23Å; E865-N979 PolarHBondContact OE2-N 2.72Å; T976-N979 WeakPolarHBondContact CB-O 3.38Å; T976-N979 HydrophobicContact CG2-CB 4.16Å; T976-N979 PolarHBondContact OG1-O 3.23Å; N979-Q984 PolarHBondContact ND2-OE1 3.44Å; N979-R1043 WeakPolarHBondContact O-CD 3.39Å; N979-R1043 PolarHBondContact O-NE 3.02Å; N979-R1047 VanDerWaalsContact C-NH1 3.26Å; N979-R1047 PolarHBondContact O-NH1 2.84Å
980	S	92.9	Very high	92.3	Very high	11 Å²	11	44.7 Å²	44.7	8%	0.077	23%	0.23	C	C	.	.			trans	-72.5	148.7	169.1	-170.5	0	0	0	0	109.7	V982 Q983 Q984 E1040	S980-V982 PolarHBondContact O-N 3.45Å; S980-V982 PolarHBondContact OG-N 3.48Å; S980-Q983 WeakPolarHBondContact O-CB 3.46Å; S980-Q983 PolarHBondContact O-N 3.35Å; S980-Q984 PolarHBondContact O-N 3.03Å; S980-E1040 WeakPolarHBondContact CA-OE1 3.47Å; S980-E1040 WeakPolarHBondContact CB-OE1 3.22Å; S980-E1040 VanDerWaalsContact OG-CD 3.24Å; S980-E1040 PolarHBondContact OG-OE1 3.19Å; S980-E1040 PolarHBondContact OG-OE2 3.43Å
981	L	90.1	Very high	92.2	Very high	30 Å²	30	44.7 Å²	44.7	16%	0.157	23%	0.23	C	C	.	.	H	α-helix	trans	-56.2	-34.4	168.4	-171.9	68.6	0	0	0	111.7	I972 K975 Q983 G985 M986 F1036 E1040	I972-L981 HydrophobicContact CG2-CD1 4.14Å; I972-L981 HydrophobicContact CG2-CD2 3.61Å; I972-L981 HydrophobicContact CG2-CG 4.49Å; K975-L981 HydrophobicContact CD-CD1 4.09Å; L981-Q983 VanDerWaalsContact C-N 3.26Å; L981-Q983 PolarHBondContact O-N 3.41Å; L981-G985 WeakPolarHBondContact O-CA 3.49Å; L981-G985 PolarHBondContact O-N 3.09Å; L981-M986 HydrophobicContact CD1-CG 4.15Å; L981-M986 HydrophobicContact CD1-SD 3.75Å; L981-F1036 HydrophobicContact CD2-CE2 3.77Å; L981-F1036 HydrophobicContact CD2-CZ 4.15Å; L981-E1040 PolarHBondContact N-OE2 3.49Å
982	V	89.7	Confident	92.2	Very high	137 Å²	137	47 Å²	47	83%	0.83	24%	0.242	S	C	*	.	H	α-helix	trans	-68.3	-25.7	177.7	-175	0	0	0	0	112.2	S980	S980-V982 PolarHBondContact O-N 3.45Å; S980-V982 PolarHBondContact OG-N 3.48Å
983	Q	88.9	Confident	92.2	Very high	125 Å²	125	46.9 Å²	46.9	58%	0.584	25%	0.247	S	C	*	.	H	α-helix	trans	-85.3	-38.1	178.8	-70.6	172.4	-42.9	0	0	112.2	S980 L981	S980-Q983 WeakPolarHBondContact O-CB 3.46Å; S980-Q983 PolarHBondContact O-N 3.35Å; L981-Q983 VanDerWaalsContact C-N 3.26Å; L981-Q983 PolarHBondContact O-N 3.41Å
984	Q	88.6	Confident	92.1	Very high	32 Å²	32	46.8 Å²	46.8	15%	0.15	25%	0.247	C	C	.	.	H	α-helix	trans	-85.8	-30	-179.3	-157.5	75.1	22.4	0	0	112.8	A864 T976 N979 S980	A864-Q984 PolarHBondContact O-NE2 2.74Å; T976-Q984 HydrophobicContact CG2-CB 3.67Å; T976-Q984 HydrophobicContact CG2-CG 3.68Å; N979-Q984 PolarHBondContact ND2-OE1 3.44Å; S980-Q984 PolarHBondContact O-N 3.03Å
985	G	90.4	Very high	92.1	Very high	29 Å²	29	48 Å²	48	30%	0.299	25%	0.252	S	S	.	.			trans	71	177.6	-174.3	0	0	0	0	0	114	K975 L981	K975-G985 WeakPolarHBondContact CE-O 3.32Å; L981-G985 WeakPolarHBondContact O-CA 3.49Å; L981-G985 PolarHBondContact O-N 3.09Å
986	M	90.2	Very high	92.2	Very high	67 Å²	67	52.9 Å²	52.9	33%	0.33	28%	0.282	S	S	.	.	S	Bend	trans	-108.8	45.1	179	-73.4	-68.7	-84.9	0	0	112	I972 K975 L981 N988 L991 N992	I972-M986 HydrophobicContact CD1-CE 4.47Å; I972-M986 HydrophobicContact CG1-CE 4.03Å; K975-M986 HydrophobicContact CD-SD 3.68Å; L981-M986 HydrophobicContact CD1-CG 4.15Å; L981-M986 HydrophobicContact CD1-SD 3.75Å; M986-N988 VanDerWaalsContact C-N 3.32Å; M986-N988 PolarHBondContact O-N 2.77Å; M986-L991 HydrophobicContact CE-CD2 3.92Å; M986-N992 WeakPolarHBondContact CE-OD1 3.45Å; M986-N992 PolarHBondContact O-ND2 3.12Å
987	S	89.6	Confident	92.2	Very high	80 Å²	80	57.2 Å²	57.2	56%	0.559	30%	0.301	S	S	*	.			trans	-68.8	-23.2	-179	52.3	0	0	0	0	114.5	W989	S987-W989 PolarHBondContact O-N 3.21Å
988	N	91.8	Very high	92.3	Very high	15 Å²	15	56.3 Å²	56.3	8%	0.08	30%	0.298	C	S	.	.			trans	-72	92.1	-178.3	-176.1	-5.3	0	0	0	111.1	S858 E862 M986 T990 L991 N992	S858-N988 PolarHBondContact O-ND2 3.08Å; E862-N988 WeakPolarHBondContact OE1-CB 3.33Å; E862-N988 PolarHBondContact OE1-ND2 2.88Å; M986-N988 VanDerWaalsContact C-N 3.32Å; M986-N988 PolarHBondContact O-N 2.77Å; N988-T990 PolarHBondContact O-N 2.86Å; N988-T990 PolarHBondContact OD1-N 3.41Å; N988-T990 PolarHBondContact OD1-OG1 3.31Å; N988-L991 HydrophobicContact CB-CB 4.06Å; N988-L991 PolarHBondContact O-N 3.46Å; N988-L991 PolarHBondContact OD1-N 3.01Å; N988-N992 PolarHBondContact O-N 3.28Å; N988-N992 VanDerWaalsContact O-N 3.14Å
989	W	92.1	Very high	92.4	Very high	205 Å²	205	54.7 Å²	54.7	78%	0.777	30%	0.296	S	S	*	.	H	α-helix	trans	-61.6	-28.8	178.1	-171.5	-89.8	0	0	0	113.2	S987 L991 N992 A993	S987-W989 PolarHBondContact O-N 3.21Å; W989-L991 VanDerWaalsContact C-N 3.32Å; W989-L991 PolarHBondContact O-N 3.22Å; W989-N992 PolarHBondContact O-N 3.01Å; W989-A993 VanDerWaalsContact O-CB 3.29Å; W989-A993 WeakPolarHBondContact O-CB 3.33Å; W989-A993 PolarHBondContact O-N 3.09Å
990	T	93.6	Very high	92.5	Very high	39 Å²	39	55.8 Å²	55.8	24%	0.239	31%	0.31	C	S	.	.	H	α-helix	trans	-69.5	-32.7	178.7	72.6	0	0	0	0	112.2	W854 Y861 N988 G994	W854-T990 PolarHBondContact NE1-O 2.93Å; Y861-T990 HydrophobicContact CD1-CG2 4.25Å; Y861-T990 HydrophobicContact CD2-CG2 3.95Å; Y861-T990 WeakPolarHBondContact CD2-OG1 3.47Å; Y861-T990 HydrophobicContact CE1-CG2 4.39Å; Y861-T990 HydrophobicContact CE2-CG2 4.07Å; Y861-T990 HydrophobicContact CG-CG2 4.03Å; N988-T990 PolarHBondContact O-N 2.86Å; N988-T990 PolarHBondContact OD1-N 3.41Å; N988-T990 PolarHBondContact OD1-OG1 3.31Å; T990-G994 PolarHBondContact O-N 2.94Å
991	L	94.5	Very high	92.6	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-72.7	-45.1	173.9	-175.2	161.4	0	0	0	110.9	S858 L859 L971 K975 M986 N988 W989 A993 G994 L995	S858-L991 WeakPolarHBondContact OG-CA 3.48Å; S858-L991 WeakPolarHBondContact OG-CB 3.42Å; L859-L991 HydrophobicContact CD2-CD1 4.02Å; L971-L991 HydrophobicContact CD1-CD1 4.37Å; L971-L991 HydrophobicContact CD1-CG 4.36Å; L971-L991 HydrophobicContact CD2-CD2 3.81Å; L971-L991 HydrophobicContact CD2-CG 3.74Å; L971-L991 HydrophobicContact CG-CD1 4.14Å; L971-L991 HydrophobicContact CG-CD2 4.11Å; L971-L991 HydrophobicContact CG-CG 3.91Å; K975-L991 HydrophobicContact CB-CD1 4.47Å; K975-L991 HydrophobicContact CD-CD1 4.17Å; K975-L991 HydrophobicContact CG-CD1 4.38Å; M986-L991 HydrophobicContact CE-CD2 3.92Å; N988-L991 HydrophobicContact CB-CB 4.06Å; N988-L991 PolarHBondContact O-N 3.46Å; N988-L991 PolarHBondContact OD1-N 3.01Å; W989-L991 VanDerWaalsContact C-N 3.32Å; W989-L991 PolarHBondContact O-N 3.22Å; L991-A993 VanDerWaalsContact C-N 3.31Å; L991-A993 PolarHBondContact O-N 3.44Å; L991-G994 WeakPolarHBondContact O-CA 3.38Å; L991-G994 PolarHBondContact O-N 3.49Å; L991-L995 HydrophobicContact CD2-CD1 4.01Å; L991-L995 HydrophobicContact CD2-CG 4.44Å; L991-L995 PolarHBondContact O-N 3.42Å
992	N	94	Very high	92.8	Very high	47 Å²	47	55.7 Å²	55.7	25%	0.251	31%	0.309	S	S	.	.	H	α-helix	trans	-60.2	-41.4	175.1	-62.7	-22	0	0	0	111.7	M986 N988 W989 G994 V996	M986-N992 WeakPolarHBondContact CE-OD1 3.45Å; M986-N992 PolarHBondContact O-ND2 3.12Å; N988-N992 PolarHBondContact O-N 3.28Å; N988-N992 VanDerWaalsContact O-N 3.14Å; W989-N992 PolarHBondContact O-N 3.01Å; N992-G994 VanDerWaalsContact C-N 3.33Å; N992-V996 WeakPolarHBondContact O-CG2 3.48Å; N992-V996 PolarHBondContact O-N 3.04Å
993	A	94.6	Very high	93	Very high	36 Å²	36	50.6 Å²	50.6	30%	0.298	28%	0.281	S	S	.	.	H	α-helix	trans	-67.1	-34.3	172.8	0	0	0	0	0	112.2	W989 L991 V996 F997	W989-A993 VanDerWaalsContact O-CB 3.29Å; W989-A993 WeakPolarHBondContact O-CB 3.33Å; W989-A993 PolarHBondContact O-N 3.09Å; L991-A993 VanDerWaalsContact C-N 3.31Å; L991-A993 PolarHBondContact O-N 3.44Å; A993-V996 PolarHBondContact O-N 3.42Å; A993-F997 WeakPolarHBondContact O-CB 3.43Å; A993-F997 PolarHBondContact O-N 3.19Å
994	G	93.8	Very high	93.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58.1	-52.7	173.4	0	0	0	0	0	112.7	T990 L991 N992 V996 F997 E998	T990-G994 PolarHBondContact O-N 2.94Å; L991-G994 WeakPolarHBondContact O-CA 3.38Å; L991-G994 PolarHBondContact O-N 3.49Å; N992-G994 VanDerWaalsContact C-N 3.33Å; G994-V996 VanDerWaalsContact C-N 3.28Å; G994-V996 PolarHBondContact O-N 2.91Å; G994-F997 PolarHBondContact O-N 2.69Å; G994-F997 VanDerWaalsContact O-N 3.1Å; G994-E998 VanDerWaalsContact O-CB 3.25Å; G994-E998 WeakPolarHBondContact O-CB 3.46Å; G994-E998 PolarHBondContact O-N 2.82Å
995	L	93.6	Very high	93.4	Very high	27 Å²	27	49.6 Å²	49.6	14%	0.141	28%	0.275	C	S	.	.	H	α-helix	trans	-56	-41.1	176.8	-70.5	169.2	0	0	0	112.9	W968 L971 I972 L991 T999	W968-L995 HydrophobicContact CB-CD2 4.1Å; W968-L995 HydrophobicContact CG-CD2 4.21Å; L971-L995 HydrophobicContact CB-CD2 4.37Å; L971-L995 HydrophobicContact CD2-CD1 4.42Å; L971-L995 HydrophobicContact CD2-CD2 3.51Å; L971-L995 HydrophobicContact CD2-CG 3.68Å; I972-L995 HydrophobicContact CD1-CD1 4.46Å; I972-L995 HydrophobicContact CG1-CD1 4.45Å; L991-L995 HydrophobicContact CD2-CD1 4.01Å; L991-L995 HydrophobicContact CD2-CG 4.44Å; L991-L995 PolarHBondContact O-N 3.42Å; L995-T999 WeakPolarHBondContact O-CB 3.4Å; L995-T999 PolarHBondContact O-N 3.12Å; L995-T999 VanDerWaalsContact O-N 3.09Å; L995-T999 PolarHBondContact O-OG1 2.97Å
996	V	95.1	Very high	93.5	Very high	104 Å²	104	48.5 Å²	48.5	63%	0.63	26%	0.262	S	S	*	.	H	α-helix	trans	-68.9	-41.9	177.7	175.6	0	0	0	0	110.9	N992 A993 G994 A1000	N992-V996 WeakPolarHBondContact O-CG2 3.48Å; N992-V996 PolarHBondContact O-N 3.04Å; A993-V996 PolarHBondContact O-N 3.42Å; G994-V996 VanDerWaalsContact C-N 3.28Å; G994-V996 PolarHBondContact O-N 2.91Å; V996-A1000 WeakPolarHBondContact O-CB 3.34Å; V996-A1000 PolarHBondContact O-N 2.92Å
997	F	94.4	Very high	93.6	Very high	91 Å²	91	50.4 Å²	50.4	40%	0.399	27%	0.267	S	S	.	.	H	α-helix	trans	-65.8	-46.7	177.1	176.2	-96.1	0	0	0	112.1	W854 A993 G994 T999 A1000 L1001	W854-F997 HydrophobicContact CB-CD1 4.07Å; W854-F997 HydrophobicContact CB-CE1 4.39Å; W854-F997 HydrophobicContact CG-CD1 4.34Å; A993-F997 WeakPolarHBondContact O-CB 3.43Å; A993-F997 PolarHBondContact O-N 3.19Å; G994-F997 PolarHBondContact O-N 2.69Å; G994-F997 VanDerWaalsContact O-N 3.1Å; F997-T999 PolarHBondContact O-N 3.25Å; F997-A1000 PolarHBondContact O-N 3.16Å; F997-L1001 HydrophobicContact CE1-CD2 4Å; F997-L1001 HydrophobicContact CZ-CD2 4.27Å; F997-L1001 VanDerWaalsContact O-CB 3.27Å; F997-L1001 WeakPolarHBondContact O-CB 3.28Å; F997-L1001 PolarHBondContact O-N 3.47Å
998	E	95.1	Very high	93.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-53.8	-51.6	175.3	-174.2	-164.3	169.6	0	0	110.8	P855 V964 Q967 G994 A1000 L1001 A1002	P855-E998 HydrophobicContact CG-CB 4.1Å; P855-E998 HydrophobicContact CG-CG 4.15Å; V964-E998 HydrophobicContact CG1-CG 4.06Å; Q967-E998 WeakPolarHBondContact CB-OE1 3.15Å; G994-E998 VanDerWaalsContact O-CB 3.25Å; G994-E998 WeakPolarHBondContact O-CB 3.46Å; G994-E998 PolarHBondContact O-N 2.82Å; E998-A1000 PolarHBondContact O-N 3.48Å; E998-L1001 PolarHBondContact O-N 3.39Å; E998-A1002 WeakPolarHBondContact O-CB 3.49Å; E998-A1002 PolarHBondContact O-N 2.8Å
999	T	94.2	Very high	93.7	Very high	42 Å²	42	53.8 Å²	53.8	26%	0.258	29%	0.288	S	S	.	.	H	α-helix	trans	-62.5	-43.4	176.9	-55.5	0	0	0	0	112.3	W968 L995 F997 A1002 A1003 W1025	W968-T999 HydrophobicContact CH2-CG2 4.46Å; W968-T999 HydrophobicContact CZ2-CG2 3.79Å; W968-T999 VanDerWaalsContact CZ2-OG1 3.24Å; W968-T999 WeakPolarHBondContact CZ2-OG1 3.4Å; W968-T999 PolarHBondContact NE1-OG1 3.43Å; W968-T999 VanDerWaalsContact NE1-OG1 3.17Å; L995-T999 WeakPolarHBondContact O-CB 3.4Å; L995-T999 PolarHBondContact O-N 3.12Å; L995-T999 VanDerWaalsContact O-N 3.09Å; L995-T999 PolarHBondContact O-OG1 2.97Å; F997-T999 PolarHBondContact O-N 3.25Å; T999-A1002 PolarHBondContact O-N 2.99Å; T999-A1003 WeakPolarHBondContact O-CB 3.35Å; T999-A1003 PolarHBondContact O-N 2.75Å; T999-W1025 HydrophobicContact CG2-CZ3 4.46Å
1000	A	95.6	Very high	93.5	Very high	55 Å²	55	45.8 Å²	45.8	46%	0.455	27%	0.27	S	S	.	.	H	α-helix	trans	-68.2	-36.5	179.4	0	0	0	0	0	112.2	V996 F997 E998 F1004	V996-A1000 WeakPolarHBondContact O-CB 3.34Å; V996-A1000 PolarHBondContact O-N 2.92Å; F997-A1000 PolarHBondContact O-N 3.16Å; E998-A1000 PolarHBondContact O-N 3.48Å; A1000-F1004 VanDerWaalsContact O-CB 3.3Å; A1000-F1004 WeakPolarHBondContact O-CB 3.47Å; A1000-F1004 PolarHBondContact O-N 3.09Å
1001	L	94.9	Very high	93.2	Very high	39 Å²	39	45.6 Å²	45.6	20%	0.204	27%	0.267	C	S	.	.	H	α-helix	trans	-67.6	-47.3	174.7	-179.8	59.8	0	0	0	110.4	T851 F997 E998 A1003 F1004 L1005	T851-L1001 HydrophobicContact CG2-CD2 4.34Å; F997-L1001 HydrophobicContact CE1-CD2 4Å; F997-L1001 HydrophobicContact CZ-CD2 4.27Å; F997-L1001 VanDerWaalsContact O-CB 3.27Å; F997-L1001 WeakPolarHBondContact O-CB 3.28Å; F997-L1001 PolarHBondContact O-N 3.47Å; E998-L1001 PolarHBondContact O-N 3.39Å; L1001-A1003 VanDerWaalsContact C-N 3.32Å; L1001-A1003 PolarHBondContact O-N 3.22Å; L1001-F1004 PolarHBondContact O-N 3.19Å; L1001-F1004 VanDerWaalsContact O-N 3.17Å; L1001-L1005 HydrophobicContact CD1-CD1 4.24Å; L1001-L1005 HydrophobicContact CD1-CG 4.11Å; L1001-L1005 HydrophobicContact CG-CD1 4.07Å; L1001-L1005 HydrophobicContact CG-CG 4.37Å; L1001-L1005 WeakPolarHBondContact O-CB 3.13Å; L1001-L1005 VanDerWaalsContact O-CG 3.25Å; L1001-L1005 WeakPolarHBondContact O-CG 3.4Å; L1001-L1005 PolarHBondContact O-N 3Å
1002	A	93.6	Very high	92.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-57.8	-44.4	174.9	0	0	0	0	0	111.8	T851 F960 V964 E998 T999 L1005 C1006 W1025	T851-A1002 HydrophobicContact CG2-CB 4.44Å; F960-A1002 HydrophobicContact CE1-CB 3.96Å; F960-A1002 HydrophobicContact CZ-CB 4.14Å; V964-A1002 HydrophobicContact CB-CB 4.49Å; V964-A1002 HydrophobicContact CG1-CB 4.1Å; V964-A1002 HydrophobicContact CG2-CB 4.06Å; E998-A1002 WeakPolarHBondContact O-CB 3.49Å; E998-A1002 PolarHBondContact O-N 2.8Å; T999-A1002 PolarHBondContact O-N 2.99Å; A1002-L1005 PolarHBondContact O-N 3.35Å; A1002-C1006 PolarHBondContact O-N 2.88Å; A1002-C1006 PolarHBondContact O-SG 3.17Å; A1002-W1025 HydrophobicContact CB-CH2 4.27Å
1003	A	93.6	Very high	92.3	Very high	29 Å²	29	54 Å²	54	24%	0.24	30%	0.304	C	S	.	.	H	α-helix	trans	-64.3	-42.2	174.9	0	0	0	0	0	112.5	T999 L1001 C1006 Y1007 W1025	T999-A1003 WeakPolarHBondContact O-CB 3.35Å; T999-A1003 PolarHBondContact O-N 2.75Å; L1001-A1003 VanDerWaalsContact C-N 3.32Å; L1001-A1003 PolarHBondContact O-N 3.22Å; A1003-C1006 PolarHBondContact O-N 2.7Å; A1003-Y1007 HydrophobicContact CB-CD2 4.3Å; A1003-Y1007 HydrophobicContact CB-CE2 4.49Å; A1003-Y1007 WeakPolarHBondContact O-CB 3.41Å; A1003-Y1007 WeakPolarHBondContact O-CD2 3.39Å; A1003-Y1007 PolarHBondContact O-N 3.38Å; A1003-W1025 HydrophobicContact CB-CH2 4.21Å; A1003-W1025 HydrophobicContact CB-CZ2 4.44Å
1004	F	94.3	Very high	91.6	Very high	119 Å²	119	55.2 Å²	55.2	52%	0.522	32%	0.319	S	S	.	.	H	α-helix	trans	-60.5	-45.5	174.7	177	-97.3	0	0	0	111.4	A1000 L1001 C1006 Y1007 C1008 L1011	A1000-F1004 VanDerWaalsContact O-CB 3.3Å; A1000-F1004 WeakPolarHBondContact O-CB 3.47Å; A1000-F1004 PolarHBondContact O-N 3.09Å; L1001-F1004 PolarHBondContact O-N 3.19Å; L1001-F1004 VanDerWaalsContact O-N 3.17Å; F1004-C1006 VanDerWaalsContact C-N 3.33Å; F1004-C1006 PolarHBondContact O-N 3.37Å; F1004-Y1007 PolarHBondContact O-N 3.49Å; F1004-C1008 HydrophobicContact CD2-CB 4.14Å; F1004-C1008 HydrophobicContact CE1-CB 4.37Å; F1004-C1008 HydrophobicContact CE2-CB 3.93Å; F1004-C1008 HydrophobicContact CG-CB 4.45Å; F1004-C1008 HydrophobicContact CZ-CB 4.06Å; F1004-C1008 WeakPolarHBondContact O-CB 3.45Å; F1004-C1008 PolarHBondContact O-N 2.68Å; F1004-L1011 HydrophobicContact CE1-CD1 4.36Å
1005	L	92.8	Very high	91.1	Very high	18 Å²	18	57.5 Å²	57.5	9%	0.094	33%	0.331	C	S	.	.	H	α-helix	trans	-63.5	-36.1	178.6	-70.4	176.8	0	0	0	112.6	C846 F960 L1001 A1002 L1011 L1015 M1017	C846-L1005 HydrophobicContact CB-CD1 4.35Å; F960-L1005 HydrophobicContact CE1-CD1 4.47Å; F960-L1005 HydrophobicContact CZ-CD1 3.91Å; L1001-L1005 HydrophobicContact CD1-CD1 4.24Å; L1001-L1005 HydrophobicContact CD1-CG 4.11Å; L1001-L1005 HydrophobicContact CG-CD1 4.07Å; L1001-L1005 HydrophobicContact CG-CG 4.37Å; L1001-L1005 WeakPolarHBondContact O-CB 3.13Å; L1001-L1005 VanDerWaalsContact O-CG 3.25Å; L1001-L1005 WeakPolarHBondContact O-CG 3.4Å; L1001-L1005 PolarHBondContact O-N 3Å; A1002-L1005 PolarHBondContact O-N 3.35Å; L1005-L1011 HydrophobicContact CD2-CD1 3.97Å; L1005-L1015 HydrophobicContact CD2-CD1 3.68Å; L1005-M1017 HydrophobicContact CB-SD 3.63Å; L1005-M1017 HydrophobicContact CD1-SD 4.45Å; L1005-M1017 HydrophobicContact CG-SD 4.49Å; L1005-M1017 WeakPolarHBondContact O-CB 3.5Å
1006	C	92	Very high	90.7	Very high	5 Å²	5	59.6 Å²	59.6	3%	0.034	34%	0.337	C	S	.	.	H	α-helix	trans	-74.5	-37	176.7	-65.8	0	0	0	0	114.1	T957 V961 A1002 A1003 F1004 G1019	T957-C1006 HydrophobicContact CG2-CB 4.3Å; T957-C1006 WeakPolarHBondContact CG2-SG 3.15Å; V961-C1006 WeakPolarHBondContact CG2-SG 3.45Å; A1002-C1006 PolarHBondContact O-N 2.88Å; A1002-C1006 PolarHBondContact O-SG 3.17Å; A1003-C1006 PolarHBondContact O-N 2.7Å; F1004-C1006 VanDerWaalsContact C-N 3.33Å; F1004-C1006 PolarHBondContact O-N 3.37Å; C1006-G1019 VanDerWaalsContact O-CA 3.29Å; C1006-G1019 WeakPolarHBondContact O-CA 3.47Å; C1006-G1019 PolarHBondContact O-N 3Å
1007	Y	93.2	Very high	90.4	Very high	108 Å²	108	54.8 Å²	54.8	42%	0.424	31%	0.308	S	S	.	.	H	α-helix	trans	-114.6	-5.6	-165.4	-58.4	-61.1	0	0	0	115.1	A1003 F1004 P1009 L1020 W1025	A1003-Y1007 HydrophobicContact CB-CD2 4.3Å; A1003-Y1007 HydrophobicContact CB-CE2 4.49Å; A1003-Y1007 WeakPolarHBondContact O-CB 3.41Å; A1003-Y1007 WeakPolarHBondContact O-CD2 3.39Å; A1003-Y1007 PolarHBondContact O-N 3.38Å; F1004-Y1007 PolarHBondContact O-N 3.49Å; Y1007-P1009 WeakPolarHBondContact O-CD 3.28Å; Y1007-L1020 WeakPolarHBondContact CE1-O 3.3Å; Y1007-L1020 PolarHBondContact OH-O 3.1Å; Y1007-W1025 HydrophobicContact CE2-CZ2 4.15Å; Y1007-W1025 AromaticContact CZ-NE1 3.96Å; Y1007-W1025 PolarHBondContact OH-NE1 3.25Å
1008	C	93.3	Very high	90.2	Very high	41 Å²	41	53.1 Å²	53.1	28%	0.277	30%	0.299	S	S	.	.	S	Bend	trans	-75	121.3	177.5	-171.5	0	0	0	0	111.5	F1004 G1010 L1011	F1004-C1008 HydrophobicContact CD2-CB 4.14Å; F1004-C1008 HydrophobicContact CE1-CB 4.37Å; F1004-C1008 HydrophobicContact CE2-CB 3.93Å; F1004-C1008 HydrophobicContact CG-CB 4.45Å; F1004-C1008 HydrophobicContact CZ-CB 4.06Å; F1004-C1008 WeakPolarHBondContact O-CB 3.45Å; F1004-C1008 PolarHBondContact O-N 2.68Å; C1008-G1010 PolarHBondContact O-N 3.07Å; C1008-L1011 HydrophobicContact CB-CD1 3.72Å; C1008-L1011 HydrophobicContact CB-CG 4.08Å; C1008-L1011 PolarHBondContact O-N 3.21Å
1009	P	89.5	Confident	90	Very high	124 Å²	124	55.6 Å²	55.6	81%	0.805	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	129.9	-179	-23.9	34.4	0	0	0	112.8	Y1007	Y1007-P1009 WeakPolarHBondContact O-CD 3.28Å
1010	G	87.6	Confident	89.8	Confident	38 Å²	38	54.1 Å²	54.1	39%	0.392	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	104.1	-19.1	-179.4	0	0	0	0	0	114.3	C1008 D1012 K1013 G1014	C1008-G1010 PolarHBondContact O-N 3.07Å; G1010-D1012 WeakPolarHBondContact CA-OD1 3.44Å; G1010-D1012 PolarHBondContact N-OD1 2.93Å; G1010-D1012 PolarHBondContact O-N 3.25Å; G1010-K1013 PolarHBondContact O-N 3.13Å; G1010-K1013 VanDerWaalsContact O-N 3.14Å; G1010-G1014 PolarHBondContact O-N 2.97Å
1011	L	88	Confident	89.6	Confident	35 Å²	35	57.3 Å²	57.3	18%	0.183	32%	0.315	C	S	.	.	H	α-helix	trans	-70.7	-18.3	173.6	-62.1	-173.8	0	0	0	112.8	F1004 L1005 C1008 K1013 G1014 L1015 R1016 M1017	F1004-L1011 HydrophobicContact CE1-CD1 4.36Å; L1005-L1011 HydrophobicContact CD2-CD1 3.97Å; C1008-L1011 HydrophobicContact CB-CD1 3.72Å; C1008-L1011 HydrophobicContact CB-CG 4.08Å; C1008-L1011 PolarHBondContact O-N 3.21Å; L1011-K1013 PolarHBondContact O-N 2.92Å; L1011-G1014 PolarHBondContact O-N 3.13Å; L1011-L1015 HydrophobicContact CD2-CD1 4.16Å; L1011-L1015 HydrophobicContact CD2-CG 4.46Å; L1011-L1015 CarbonylContact O-C 3.58Å; L1011-L1015 PolarHBondContact O-N 2.94Å; L1011-R1016 PolarHBondContact O-N 3.39Å; L1011-M1017 PolarHBondContact O-N 3.02Å
1012	D	86.1	Confident	89.4	Confident	52 Å²	52	62.8 Å²	62.8	28%	0.278	34%	0.338	S	S	.	.	H	α-helix	trans	-58.7	-27.1	167.5	62.5	-60.6	0	0	0	112.9	G1010 R1016 M1017 Y1018	G1010-D1012 WeakPolarHBondContact CA-OD1 3.44Å; G1010-D1012 PolarHBondContact N-OD1 2.93Å; G1010-D1012 PolarHBondContact O-N 3.25Å; D1012-R1016 WeakPolarHBondContact O-CA 3.2Å; D1012-M1017 VanDerWaalsContact CA-O 3.23Å; D1012-M1017 WeakPolarHBondContact CA-O 3.28Å; D1012-M1017 PolarHBondContact N-O 3.4Å; D1012-Y1018 HydrophobicContact CB-CE1 4.3Å; D1012-Y1018 HydrophobicContact CB-CE2 4.32Å
1013	K	82.3	Confident	89.4	Confident	172 Å²	172	65.5 Å²	65.5	75%	0.748	36%	0.357	S	S	*	.	H	α-helix	trans	-98.5	-38.9	176.5	-61.4	-178.1	-175.8	176.8	0	113	G1010 L1011	G1010-K1013 PolarHBondContact O-N 3.13Å; G1010-K1013 VanDerWaalsContact O-N 3.14Å; L1011-K1013 PolarHBondContact O-N 2.92Å
1014	G	79.6	Confident	89.4	Confident	60 Å²	60	64.6 Å²	64.6	62%	0.619	35%	0.347	S	S	*	.	H	α-helix	trans	-78	-52.6	-176.7	0	0	0	0	0	113.7	G1010 L1011	G1010-G1014 PolarHBondContact O-N 2.97Å; L1011-G1014 PolarHBondContact O-N 3.13Å
1015	L	84.1	Confident	89.3	Confident	48 Å²	48	60.4 Å²	60.4	25%	0.251	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-7	-177	-61.7	176.9	0	0	0	113.2	V842 L1005 L1011 M1017	V842-L1015 HydrophobicContact CG1-CB 4.3Å; V842-L1015 HydrophobicContact CG1-CD2 3.82Å; L1005-L1015 HydrophobicContact CD2-CD1 3.68Å; L1011-L1015 HydrophobicContact CD2-CD1 4.16Å; L1011-L1015 HydrophobicContact CD2-CG 4.46Å; L1011-L1015 CarbonylContact O-C 3.58Å; L1011-L1015 PolarHBondContact O-N 2.94Å; L1015-M1017 HydrophobicContact CB-CG 4.32Å; L1015-M1017 PolarHBondContact O-N 2.82Å
1016	R	86	Confident	89.3	Confident	72 Å²	72	64.4 Å²	64.4	27%	0.272	35%	0.345	S	S	.	.			trans	58.4	34.1	-172	-57.9	177.7	173.2	166	2.5	113.2	D145 Y953 L1011 D1012	D145-R1016 VanDerWaalsContact CG-NH1 3.33Å; D145-R1016 IonicContact OD1-CZ 3.83Å; D145-R1016 IonicContact OD1-NH1 2.79Å; D145-R1016 PolarHBondContact OD1-NH1 3.23Å; D145-R1016 IonicContact OD1-NH2 2.67Å; D145-R1016 PolarHBondContact OD1-NH2 3.26Å; D145-R1016 IonicContact OD2-CZ 2.91Å; D145-R1016 IonicContact OD2-NH1 3.22Å; D145-R1016 PolarHBondContact OD2-NH1 3.11Å; D145-R1016 IonicContact OD2-NH2 2.61Å; D145-R1016 PolarHBondContact OD2-NH2 3.25Å; Y953-R1016 HydrophobicContact CD1-CB 4.28Å; Y953-R1016 HydrophobicContact CD2-CB 4.27Å; Y953-R1016 HydrophobicContact CE2-CG 4.46Å; Y953-R1016 HydrophobicContact CG-CB 4.07Å; Y953-R1016 PolarHBondContact OH-NH1 2.83Å; L1011-R1016 PolarHBondContact O-N 3.39Å; D1012-R1016 WeakPolarHBondContact O-CA 3.2Å
1017	M	88.4	Confident	89.4	Confident	3 Å²	3	64.9 Å²	64.9	2%	0.015	35%	0.348	C	S	.	.			trans	-93.3	128.5	171.9	-71.2	-172.6	173.2	0	0	110.4	T843 C846 T957 F960 L1005 L1011 D1012 L1015	T843-M1017 HydrophobicContact CG2-CE 3.69Å; T843-M1017 HydrophobicContact CG2-CG 4.34Å; C846-M1017 HydrophobicContact CB-CE 3.69Å; T957-M1017 HydrophobicContact CG2-CB 4.15Å; T957-M1017 HydrophobicContact CG2-CG 4.37Å; T957-M1017 WeakPolarHBondContact OG1-CA 3.38Å; F960-M1017 HydrophobicContact CD1-CE 3.87Å; F960-M1017 HydrophobicContact CD1-SD 4.35Å; F960-M1017 HydrophobicContact CD2-CE 3.99Å; F960-M1017 HydrophobicContact CE1-CE 3.97Å; F960-M1017 HydrophobicContact CE1-SD 4.28Å; F960-M1017 HydrophobicContact CE2-CE 4.1Å; F960-M1017 HydrophobicContact CG-CE 3.89Å; F960-M1017 HydrophobicContact CZ-CE 4.09Å; L1005-M1017 HydrophobicContact CB-SD 3.63Å; L1005-M1017 HydrophobicContact CD1-SD 4.45Å; L1005-M1017 HydrophobicContact CG-SD 4.49Å; L1005-M1017 WeakPolarHBondContact O-CB 3.5Å; L1011-M1017 PolarHBondContact O-N 3.02Å; D1012-M1017 VanDerWaalsContact CA-O 3.23Å; D1012-M1017 WeakPolarHBondContact CA-O 3.28Å; D1012-M1017 PolarHBondContact N-O 3.4Å; L1015-M1017 HydrophobicContact CB-CG 4.32Å; L1015-M1017 PolarHBondContact O-N 2.82Å
1018	Y	90.5	Very high	89.4	Confident	56 Å²	56	59.8 Å²	59.8	22%	0.22	33%	0.328	C	S	.	.			trans	-113.6	141.4	-175	-78.9	-105.1	0	0	0	110.8	V950 Y953 T957 D1012 L1020	V950-Y1018 HydrophobicContact CB-CE1 4.35Å; V950-Y1018 HydrophobicContact CG1-CD1 3.95Å; V950-Y1018 HydrophobicContact CG1-CE1 3.76Å; V950-Y1018 HydrophobicContact CG2-CE1 4.02Å; Y953-Y1018 VanDerWaalsContact CB-CD2 3.5Å; Y953-Y1018 AromaticContact CD2-CE2 3.75Å; Y953-Y1018 HydrophobicContact CD2-CE2 3.75Å; Y953-Y1018 HydrophobicContact CG-CE2 4.1Å; T957-Y1018 WeakPolarHBondContact CG2-O 3.33Å; T957-Y1018 PolarHBondContact OG1-N 3.34Å; D1012-Y1018 HydrophobicContact CB-CE1 4.3Å; D1012-Y1018 HydrophobicContact CB-CE2 4.32Å; Y1018-L1020 PolarHBondContact O-N 2.95Å; Y1018-L1020 VanDerWaalsContact O-N 3.17Å
1019	G	90.2	Very high	89.5	Confident	51 Å²	51	60.9 Å²	60.9	53%	0.526	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-57.1	118.8	179.8	0	0	0	0	0	112.4	C1006	C1006-G1019 VanDerWaalsContact O-CA 3.29Å; C1006-G1019 WeakPolarHBondContact O-CA 3.47Å; C1006-G1019 PolarHBondContact O-N 3Å
1020	L	91.2	Very high	89.8	Confident	11 Å²	11	58.9 Å²	58.9	6%	0.058	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-79.8	153.6	179.8	-62.4	176.9	0	0	0	112	T954 T957 V961 Y1007 Y1018 W1024	T954-L1020 HydrophobicContact CG2-CD2 4.05Å; T957-L1020 HydrophobicContact CG2-CD1 4.22Å; T957-L1020 HydrophobicContact CG2-CD2 4.25Å; T957-L1020 HydrophobicContact CG2-CG 4.05Å; V961-L1020 HydrophobicContact CB-CD1 3.9Å; V961-L1020 HydrophobicContact CG1-CD1 4.33Å; V961-L1020 HydrophobicContact CG2-CD1 3.62Å; Y1007-L1020 WeakPolarHBondContact CE1-O 3.3Å; Y1007-L1020 PolarHBondContact OH-O 3.1Å; Y1018-L1020 PolarHBondContact O-N 2.95Å; Y1018-L1020 VanDerWaalsContact O-N 3.17Å; L1020-W1024 HydrophobicContact CB-CE3 4.08Å; L1020-W1024 HydrophobicContact CD2-CE3 3.79Å; L1020-W1024 HydrophobicContact CD2-CZ3 4.33Å
1021	R	91.4	Very high	90.3	Very high	122 Å²	122	58.9 Å²	58.9	46%	0.46	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-67.1	142.1	161.1	-61.6	-177.3	-176.8	160	1.1	108.9	E912 S1023 W1024	E912-R1021 IonicContact OE2-NH1 2.71Å; E912-R1021 PolarHBondContact OE2-NH1 3.13Å; E912-R1021 VanDerWaalsContact OE2-NH1 3.07Å; R1021-S1023 WeakPolarHBondContact CB-OG 3.29Å; R1021-S1023 PolarHBondContact O-N 3.13Å; R1021-S1023 VanDerWaalsContact O-N 3.13Å; R1021-W1024 HydrophobicContact CB-CD2 3.75Å; R1021-W1024 HydrophobicContact CB-CE3 3.9Å; R1021-W1024 HydrophobicContact CB-CG 4.17Å; R1021-W1024 HydrophobicContact CB-CZ2 4.4Å; R1021-W1024 HydrophobicContact CB-CZ3 4.28Å; R1021-W1024 VanDerWaalsContact CD-CZ2 3.49Å; R1021-W1024 HydrophobicContact CG-CD2 4.11Å; R1021-W1024 HydrophobicContact CG-CE3 4.04Å; R1021-W1024 HydrophobicContact CG-CH2 3.83Å; R1021-W1024 HydrophobicContact CG-CZ2 3.89Å; R1021-W1024 HydrophobicContact CG-CZ3 3.89Å; R1021-W1024 WeakPolarHBondContact O-CB 3.28Å; R1021-W1024 PolarHBondContact O-N 3.35Å
1022	F	89.5	Confident	90.6	Very high	154 Å²	154	57.9 Å²	57.9	68%	0.675	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-56.8	-31.3	177.5	-173.7	-112.2	0	0	0	112.7	W1024 W1025 F1026	F1022-W1024 PolarHBondContact O-N 2.92Å; F1022-W1025 PolarHBondContact O-N 3.12Å; F1022-F1026 AromaticContact CD1-CE2 3.81Å; F1022-F1026 HydrophobicContact CD1-CE2 3.81Å; F1022-F1026 HydrophobicContact CD1-CZ 4.37Å; F1022-F1026 AromaticContact CE1-CE2 3.54Å; F1022-F1026 HydrophobicContact CE1-CE2 3.54Å; F1022-F1026 AromaticContact CE1-CZ 3.64Å; F1022-F1026 HydrophobicContact CE1-CZ 3.64Å; F1022-F1026 HydrophobicContact CE2-CE2 4.41Å; F1022-F1026 HydrophobicContact CG-CE2 4.37Å; F1022-F1026 AromaticContact CZ-CE2 3.87Å; F1022-F1026 HydrophobicContact CZ-CE2 3.87Å; F1022-F1026 AromaticContact CZ-CZ 3.76Å; F1022-F1026 HydrophobicContact CZ-CZ 3.76Å; F1022-F1026 VanDerWaalsContact O-CD2 3.29Å; F1022-F1026 WeakPolarHBondContact O-CD2 3.43Å; F1022-F1026 VanDerWaalsContact O-CE2 3.28Å; F1022-F1026 WeakPolarHBondContact O-CE2 3.45Å
1023	S	93.1	Very high	91.1	Very high	58 Å²	58	60.3 Å²	60.3	41%	0.406	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-58.5	-30.3	173.4	50.1	0	0	0	0	113.9	R1021 W1025 F1026 P1027	R1021-S1023 WeakPolarHBondContact CB-OG 3.29Å; R1021-S1023 PolarHBondContact O-N 3.13Å; R1021-S1023 VanDerWaalsContact O-N 3.13Å; S1023-W1025 VanDerWaalsContact C-N 3.28Å; S1023-W1025 PolarHBondContact O-N 3.07Å; S1023-F1026 PolarHBondContact O-N 2.8Å; S1023-P1027 WeakPolarHBondContact O-CD 3.45Å
1024	W	93.5	Very high	91.7	Very high	10 Å²	10	56.2 Å²	56.2	4%	0.038	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-81	-0.9	-176	-57.8	-24.9	0	0	0	114.3	I909 E912 T954 L1020 R1021 F1022 P1027	I909-W1024 HydrophobicContact CD1-CB 4.37Å; I909-W1024 HydrophobicContact CD1-CD2 4.31Å; I909-W1024 HydrophobicContact CD1-CE3 4.42Å; I909-W1024 HydrophobicContact CD1-CG 4.32Å; I909-W1024 HydrophobicContact CG1-CB 4.37Å; I909-W1024 HydrophobicContact CG1-CD2 3.82Å; I909-W1024 HydrophobicContact CG1-CE3 4.29Å; I909-W1024 HydrophobicContact CG1-CG 3.87Å; I909-W1024 HydrophobicContact CG2-CH2 4.25Å; I909-W1024 HydrophobicContact CG2-CZ2 4.26Å; I909-W1024 HydrophobicContact CG2-CZ3 4.45Å; E912-W1024 VanDerWaalsContact CD-NE1 3.32Å; E912-W1024 PolarHBondContact OE1-NE1 3.33Å; E912-W1024 PolarHBondContact OE2-NE1 3.27Å; T954-W1024 HydrophobicContact CG2-CE3 4.22Å; T954-W1024 HydrophobicContact CG2-CH2 4.09Å; T954-W1024 HydrophobicContact CG2-CZ3 3.44Å; T954-W1024 VanDerWaalsContact CG2-CZ3 3.44Å; L1020-W1024 HydrophobicContact CB-CE3 4.08Å; L1020-W1024 HydrophobicContact CD2-CE3 3.79Å; L1020-W1024 HydrophobicContact CD2-CZ3 4.33Å; R1021-W1024 HydrophobicContact CB-CD2 3.75Å; R1021-W1024 HydrophobicContact CB-CE3 3.9Å; R1021-W1024 HydrophobicContact CB-CG 4.17Å; R1021-W1024 HydrophobicContact CB-CZ2 4.4Å; R1021-W1024 HydrophobicContact CB-CZ3 4.28Å; R1021-W1024 VanDerWaalsContact CD-CZ2 3.49Å; R1021-W1024 HydrophobicContact CG-CD2 4.11Å; R1021-W1024 HydrophobicContact CG-CE3 4.04Å; R1021-W1024 HydrophobicContact CG-CH2 3.83Å; R1021-W1024 HydrophobicContact CG-CZ2 3.89Å; R1021-W1024 HydrophobicContact CG-CZ3 3.89Å; R1021-W1024 WeakPolarHBondContact O-CB 3.28Å; R1021-W1024 PolarHBondContact O-N 3.35Å; F1022-W1024 PolarHBondContact O-N 2.92Å; W1024-P1027 VanDerWaalsContact C-CD 3.46Å; W1024-P1027 WeakPolarHBondContact O-CD 3.48Å
1025	W	92.9	Very high	92.5	Very high	30 Å²	30	53.4 Å²	53.4	11%	0.114	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-81.1	-23.7	168.7	-76.7	67.2	0	0	0	112.8	V961 T999 A1002 A1003 Y1007 F1022 S1023	V961-W1025 HydrophobicContact CG1-CD2 3.48Å; V961-W1025 VanDerWaalsContact CG1-CD2 3.48Å; V961-W1025 HydrophobicContact CG1-CE3 3.57Å; V961-W1025 HydrophobicContact CG1-CG 3.94Å; V961-W1025 HydrophobicContact CG1-CH2 4.15Å; V961-W1025 HydrophobicContact CG1-CZ2 4.06Å; V961-W1025 HydrophobicContact CG1-CZ3 3.91Å; V961-W1025 HydrophobicContact CG2-CH2 4.12Å; V961-W1025 HydrophobicContact CG2-CZ2 3.84Å; T999-W1025 HydrophobicContact CG2-CZ3 4.46Å; A1002-W1025 HydrophobicContact CB-CH2 4.27Å; A1003-W1025 HydrophobicContact CB-CH2 4.21Å; A1003-W1025 HydrophobicContact CB-CZ2 4.44Å; Y1007-W1025 HydrophobicContact CE2-CZ2 4.15Å; Y1007-W1025 AromaticContact CZ-NE1 3.96Å; Y1007-W1025 PolarHBondContact OH-NE1 3.25Å; F1022-W1025 PolarHBondContact O-N 3.12Å; S1023-W1025 VanDerWaalsContact C-N 3.28Å; S1023-W1025 PolarHBondContact O-N 3.07Å
1026	F	94	Very high	93	Very high	102 Å²	102	54.1 Å²	54.1	45%	0.447	27%	0.273	S	S	.	.	S	Bend	trans	-82.3	-24.9	-174.8	-62.3	-92.6	0	0	0	117	F1022 S1023 A1028 L1029	F1022-F1026 AromaticContact CD1-CE2 3.81Å; F1022-F1026 HydrophobicContact CD1-CE2 3.81Å; F1022-F1026 HydrophobicContact CD1-CZ 4.37Å; F1022-F1026 AromaticContact CE1-CE2 3.54Å; F1022-F1026 HydrophobicContact CE1-CE2 3.54Å; F1022-F1026 AromaticContact CE1-CZ 3.64Å; F1022-F1026 HydrophobicContact CE1-CZ 3.64Å; F1022-F1026 HydrophobicContact CE2-CE2 4.41Å; F1022-F1026 HydrophobicContact CG-CE2 4.37Å; F1022-F1026 AromaticContact CZ-CE2 3.87Å; F1022-F1026 HydrophobicContact CZ-CE2 3.87Å; F1022-F1026 AromaticContact CZ-CZ 3.76Å; F1022-F1026 HydrophobicContact CZ-CZ 3.76Å; F1022-F1026 VanDerWaalsContact O-CD2 3.29Å; F1022-F1026 WeakPolarHBondContact O-CD2 3.43Å; F1022-F1026 VanDerWaalsContact O-CE2 3.28Å; F1022-F1026 WeakPolarHBondContact O-CE2 3.45Å; S1023-F1026 PolarHBondContact O-N 2.8Å; F1026-A1028 PolarHBondContact O-N 3.49Å; F1026-A1028 VanDerWaalsContact O-N 3.13Å; F1026-L1029 HydrophobicContact CB-CD1 4.25Å; F1026-L1029 HydrophobicContact CD1-CD1 3.46Å; F1026-L1029 VanDerWaalsContact CD1-CD1 3.46Å; F1026-L1029 HydrophobicContact CE1-CD1 4.11Å; F1026-L1029 HydrophobicContact CG-CD1 4.16Å; F1026-L1029 PolarHBondContact O-N 3.38Å; F1026-L1029 VanDerWaalsContact O-N 3.13Å
1027	P	93	Very high	93.5	Very high	16 Å²	16	55.1 Å²	55.1	10%	0.104	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-29.1	-176.1	-28.1	36.6	0	0	0	115	F904 A905 V908 S1023 W1024 P1030	F904-P1027 HydrophobicContact CD1-CB 3.79Å; F904-P1027 WeakPolarHBondContact CD1-O 3.31Å; F904-P1027 HydrophobicContact CE1-CB 3.85Å; A905-P1027 HydrophobicContact CB-CB 4.1Å; V908-P1027 HydrophobicContact CG1-CG 4.34Å; S1023-P1027 WeakPolarHBondContact O-CD 3.45Å; W1024-P1027 VanDerWaalsContact C-CD 3.46Å; W1024-P1027 WeakPolarHBondContact O-CD 3.48Å; P1027-P1030 WeakPolarHBondContact O-CD 3.44Å
1028	A	94.2	Very high	93.8	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-20	-179.6	0	0	0	0	0	114.3	A901 V965 V966 F1026 F1031 S1032	A901-A1028 HydrophobicContact CB-CB 4.46Å; V965-A1028 HydrophobicContact CB-CB 3.86Å; V965-A1028 HydrophobicContact CG1-CB 3.69Å; V966-A1028 HydrophobicContact CG1-CB 4.37Å; F1026-A1028 PolarHBondContact O-N 3.49Å; F1026-A1028 VanDerWaalsContact O-N 3.13Å; A1028-F1031 WeakPolarHBondContact O-CB 3.34Å; A1028-F1031 PolarHBondContact O-N 3.34Å; A1028-F1031 VanDerWaalsContact O-N 3.08Å; A1028-S1032 PolarHBondContact O-N 3Å
1029	L	95	Very high	94	Very high	65 Å²	65	56.2 Å²	56.2	34%	0.34	29%	0.29	S	S	.	.	H	α-helix	trans	-59.2	-39.1	-176.2	-71.2	168.7	0	0	0	114.8	V965 W968 F1026 F1031 S1032 L1033	V965-L1029 HydrophobicContact CG1-CD2 3.6Å; V965-L1029 HydrophobicContact CG1-CG 3.9Å; W968-L1029 HydrophobicContact CZ3-CD2 4.12Å; F1026-L1029 HydrophobicContact CB-CD1 4.25Å; F1026-L1029 HydrophobicContact CD1-CD1 3.46Å; F1026-L1029 VanDerWaalsContact CD1-CD1 3.46Å; F1026-L1029 HydrophobicContact CE1-CD1 4.11Å; F1026-L1029 HydrophobicContact CG-CD1 4.16Å; F1026-L1029 PolarHBondContact O-N 3.38Å; F1026-L1029 VanDerWaalsContact O-N 3.13Å; L1029-F1031 PolarHBondContact O-N 3.37Å; L1029-S1032 WeakPolarHBondContact O-CB 3.47Å; L1029-S1032 PolarHBondContact O-N 3.13Å; L1029-L1033 PolarHBondContact O-N 3.13Å
1030	P	96	Very high	94.2	Very high	82 Å²	82	55.3 Å²	55.3	53%	0.532	27%	0.272	S	S	.	.	H	α-helix	trans	-61	-33.8	175.3	-24	35.3	0	0	0	113	P1027 L1034	P1027-P1030 WeakPolarHBondContact O-CD 3.44Å; P1030-L1034 WeakPolarHBondContact O-CB 3.46Å; P1030-L1034 PolarHBondContact O-N 3.29Å
1031	F	96.5	Very high	94.3	Very high	38 Å²	38	58.5 Å²	58.5	17%	0.167	29%	0.292	C	S	.	.	H	α-helix	trans	-76.5	-38	177.7	-60.5	-85.7	0	0	0	111.7	I897 V900 A901 F904 V966 A1028 L1029 L1033 L1034 I1035	I897-F1031 HydrophobicContact CG2-CB 4.26Å; I897-F1031 HydrophobicContact CG2-CD1 4.24Å; V900-F1031 HydrophobicContact CB-CE1 4.42Å; V900-F1031 HydrophobicContact CG1-CD1 4.39Å; V900-F1031 HydrophobicContact CG1-CE1 3.62Å; V900-F1031 HydrophobicContact CG1-CZ 4.12Å; A901-F1031 HydrophobicContact CB-CB 3.53Å; A901-F1031 HydrophobicContact CB-CD1 4.25Å; A901-F1031 HydrophobicContact CB-CD2 3.66Å; A901-F1031 HydrophobicContact CB-CE2 4.44Å; A901-F1031 HydrophobicContact CB-CG 3.54Å; F904-F1031 HydrophobicContact CB-CE2 3.94Å; F904-F1031 HydrophobicContact CB-CZ 4.09Å; F904-F1031 AromaticContact CD1-CE2 3.7Å; F904-F1031 HydrophobicContact CD1-CE2 3.7Å; F904-F1031 HydrophobicContact CD1-CZ 4.4Å; F904-F1031 HydrophobicContact CE1-CE2 4.43Å; F904-F1031 AromaticContact CG-CE2 3.89Å; F904-F1031 HydrophobicContact CG-CE2 3.89Å; F904-F1031 HydrophobicContact CG-CZ 4.16Å; V966-F1031 HydrophobicContact CG1-CB 4.2Å; A1028-F1031 WeakPolarHBondContact O-CB 3.34Å; A1028-F1031 PolarHBondContact O-N 3.34Å; A1028-F1031 VanDerWaalsContact O-N 3.08Å; L1029-F1031 PolarHBondContact O-N 3.37Å; F1031-L1033 VanDerWaalsContact C-N 3.34Å; F1031-L1033 PolarHBondContact O-N 2.93Å; F1031-L1034 WeakPolarHBondContact O-CB 3.41Å; F1031-L1034 PolarHBondContact O-N 3.08Å; F1031-L1034 VanDerWaalsContact O-N 3.12Å; F1031-I1035 WeakPolarHBondContact O-CG1 3.36Å; F1031-I1035 PolarHBondContact O-N 2.9Å
1032	S	95.2	Very high	94.4	Very high	14 Å²	14	53.2 Å²	53.2	10%	0.098	27%	0.272	C	S	.	.	H	α-helix	trans	-56.6	-46.7	170.9	-167	0	0	0	0	111.1	V965 A969 A1028 L1029 L1034 I1035 F1036	V965-S1032 VanDerWaalsContact O-CB 3.29Å; V965-S1032 WeakPolarHBondContact O-CB 3.44Å; V965-S1032 PolarHBondContact O-OG 3.39Å; A969-S1032 WeakPolarHBondContact CB-O 3.28Å; A969-S1032 VanDerWaalsContact CB-OG 3.31Å; A969-S1032 WeakPolarHBondContact CB-OG 3.46Å; A1028-S1032 PolarHBondContact O-N 3Å; L1029-S1032 WeakPolarHBondContact O-CB 3.47Å; L1029-S1032 PolarHBondContact O-N 3.13Å; S1032-L1034 PolarHBondContact O-N 2.78Å; S1032-I1035 PolarHBondContact O-N 3.26Å; S1032-F1036 PolarHBondContact O-N 2.71Å
1033	L	95.5	Very high	94.6	Very high	102 Å²	102	45.9 Å²	45.9	53%	0.534	24%	0.24	S	C	.	.	H	α-helix	trans	-63.8	-38	173.2	-179.1	62	0	0	0	113	L1029 F1031 F1036 L1037	L1029-L1033 PolarHBondContact O-N 3.13Å; F1031-L1033 VanDerWaalsContact C-N 3.34Å; F1031-L1033 PolarHBondContact O-N 2.93Å; L1033-F1036 PolarHBondContact O-N 3.1Å; L1033-L1037 HydrophobicContact CD1-CD1 4.14Å; L1033-L1037 HydrophobicContact CD1-CG 4.18Å; L1033-L1037 HydrophobicContact CG-CD1 4Å; L1033-L1037 HydrophobicContact CG-CG 4.44Å; L1033-L1037 WeakPolarHBondContact O-CG 3.31Å; L1033-L1037 PolarHBondContact O-N 3.02Å
1034	L	96.2	Very high	94.7	Very high	87 Å²	87	48.2 Å²	48.2	46%	0.455	24%	0.243	S	C	.	.	H	α-helix	trans	-63.5	-44.2	177.2	179.5	62.8	0	0	0	112	I897 P1030 F1031 S1032 F1036 L1037 F1038	I897-L1034 HydrophobicContact CG2-CD2 4.12Å; P1030-L1034 WeakPolarHBondContact O-CB 3.46Å; P1030-L1034 PolarHBondContact O-N 3.29Å; F1031-L1034 WeakPolarHBondContact O-CB 3.41Å; F1031-L1034 PolarHBondContact O-N 3.08Å; F1031-L1034 VanDerWaalsContact O-N 3.12Å; S1032-L1034 PolarHBondContact O-N 2.78Å; L1034-F1036 VanDerWaalsContact C-N 3.35Å; L1034-F1036 PolarHBondContact O-N 3.39Å; L1034-L1037 PolarHBondContact O-N 3.34Å; L1034-F1038 WeakPolarHBondContact O-CB 3.49Å; L1034-F1038 PolarHBondContact O-N 3.04Å
1035	I	95.8	Very high	94.7	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-57.3	-49.4	175.7	-70.9	167.5	0	0	0	110.1	I894 I897 Q898 V966 A969 I973 F1031 S1032 L1037 F1038 D1039	I894-I1035 HydrophobicContact CG2-CD1 4.11Å; I894-I1035 HydrophobicContact CG2-CG1 4.13Å; I894-I1035 HydrophobicContact CG2-CG2 3.79Å; I897-I1035 HydrophobicContact CB-CD1 4.34Å; I897-I1035 HydrophobicContact CB-CG1 4.01Å; I897-I1035 HydrophobicContact CD1-CG1 4.32Å; I897-I1035 HydrophobicContact CG2-CD1 4.03Å; I897-I1035 HydrophobicContact CG2-CG1 3.63Å; Q898-I1035 HydrophobicContact CG-CD1 3.79Å; V966-I1035 HydrophobicContact CB-CD1 3.92Å; V966-I1035 HydrophobicContact CG1-CD1 4.28Å; A969-I1035 HydrophobicContact CB-CB 4.15Å; A969-I1035 HydrophobicContact CB-CG2 4.03Å; I973-I1035 HydrophobicContact CD1-CG2 3.5Å; I973-I1035 HydrophobicContact CG1-CG2 4.29Å; F1031-I1035 WeakPolarHBondContact O-CG1 3.36Å; F1031-I1035 PolarHBondContact O-N 2.9Å; S1032-I1035 PolarHBondContact O-N 3.26Å; I1035-L1037 PolarHBondContact O-N 3.12Å; I1035-F1038 PolarHBondContact O-N 3.02Å; I1035-D1039 PolarHBondContact O-N 3.47Å
1036	F	95	Very high	94.7	Very high	62 Å²	62	49.3 Å²	49.3	27%	0.272	25%	0.251	S	S	.	.	H	α-helix	trans	-58.8	-48.8	178.6	177.2	-103.1	0	0	0	113	I972 I973 L981 S1032 L1033 L1034 E1040	I972-F1036 HydrophobicContact CG2-CD2 4.03Å; I972-F1036 HydrophobicContact CG2-CE2 3.97Å; I973-F1036 HydrophobicContact CG2-CD2 4.14Å; L981-F1036 HydrophobicContact CD2-CE2 3.77Å; L981-F1036 HydrophobicContact CD2-CZ 4.15Å; S1032-F1036 PolarHBondContact O-N 2.71Å; L1033-F1036 PolarHBondContact O-N 3.1Å; L1034-F1036 VanDerWaalsContact C-N 3.35Å; L1034-F1036 PolarHBondContact O-N 3.39Å; F1036-E1040 WeakPolarHBondContact O-CB 3.19Å; F1036-E1040 PolarHBondContact O-N 2.89Å; F1036-E1040 VanDerWaalsContact O-N 3.08Å
1037	L	95.6	Very high	94.7	Very high	93 Å²	93	47.1 Å²	47.1	49%	0.487	24%	0.24	S	C	.	.	H	α-helix	trans	-67.6	-36.6	179.9	-69.6	174.1	0	0	0	112.5	L1033 L1034 I1035 T1041	L1033-L1037 HydrophobicContact CD1-CD1 4.14Å; L1033-L1037 HydrophobicContact CD1-CG 4.18Å; L1033-L1037 HydrophobicContact CG-CD1 4Å; L1033-L1037 HydrophobicContact CG-CG 4.44Å; L1033-L1037 WeakPolarHBondContact O-CG 3.31Å; L1033-L1037 PolarHBondContact O-N 3.02Å; L1034-L1037 PolarHBondContact O-N 3.34Å; I1035-L1037 PolarHBondContact O-N 3.12Å; L1037-T1041 VanDerWaalsContact O-CB 3.28Å; L1037-T1041 WeakPolarHBondContact O-CB 3.43Å; L1037-T1041 PolarHBondContact O-N 3.31Å; L1037-T1041 VanDerWaalsContact O-N 3.1Å; L1037-T1041 PolarHBondContact O-OG1 2.9Å
1038	F	95.1	Very high	94.7	Very high	80 Å²	80	55.6 Å²	55.6	35%	0.351	27%	0.27	S	S	.	.	H	α-helix	trans	-62.9	-52	177.2	175.4	-101	0	0	0	111.2	M893 L1034 I1035 T1041 R1042	M893-F1038 HydrophobicContact CB-CE1 4.24Å; M893-F1038 HydrophobicContact CB-CZ 4.44Å; M893-F1038 HydrophobicContact SD-CE1 4.23Å; M893-F1038 HydrophobicContact SD-CZ 3.92Å; L1034-F1038 WeakPolarHBondContact O-CB 3.49Å; L1034-F1038 PolarHBondContact O-N 3.04Å; I1035-F1038 PolarHBondContact O-N 3.02Å; F1038-T1041 PolarHBondContact O-N 3.26Å; F1038-R1042 WeakPolarHBondContact O-CB 3.3Å; F1038-R1042 PolarHBondContact O-N 2.92Å
1039	D	94.4	Very high	94.6	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.016	29%	0.288	C	S	.	.	H	α-helix	trans	-69.8	-40.4	-177.7	-165.4	73.2	0	0	0	112.7	I973 I1035 T1041 R1042 R1043	I973-D1039 HydrophobicContact CB-CB 3.78Å; I973-D1039 HydrophobicContact CD1-CB 3.63Å; I973-D1039 HydrophobicContact CG1-CB 4.3Å; I973-D1039 HydrophobicContact CG2-CB 3.67Å; I1035-D1039 PolarHBondContact O-N 3.47Å; D1039-T1041 VanDerWaalsContact C-N 3.26Å; D1039-T1041 PolarHBondContact O-N 2.96Å; D1039-R1042 WeakPolarHBondContact O-CB 3.21Å; D1039-R1042 PolarHBondContact O-N 2.96Å; D1039-R1042 VanDerWaalsContact O-N 3.12Å; D1039-R1042 IonicContact OD1-CZ 2.69Å; D1039-R1042 IonicContact OD1-NE 3.07Å; D1039-R1042 PolarHBondContact OD1-NE 2.86Å; D1039-R1042 IonicContact OD1-NH2 3.88Å; D1039-R1042 PolarHBondContact OD1-NH2 3.37Å; D1039-R1042 IonicContact OD2-NH2 3.12Å; D1039-R1043 WeakPolarHBondContact O-CG 3.44Å; D1039-R1043 PolarHBondContact O-N 2.88Å; D1039-R1043 WeakPolarHBondContact OD2-CD 3.46Å; D1039-R1043 WeakPolarHBondContact OD2-CG 3.44Å; D1039-R1043 IonicContact OD2-CZ 2.84Å; D1039-R1043 IonicContact OD2-NE 3.66Å; D1039-R1043 PolarHBondContact OD2-NE 3.32Å; D1039-R1043 VanDerWaalsContact OD2-NE 3.09Å; D1039-R1043 IonicContact OD2-NH1 3.06Å; D1039-R1043 PolarHBondContact OD2-NH1 3.19Å; D1039-R1043 VanDerWaalsContact OD2-NH1 3.11Å; D1039-R1043 IonicContact OD2-NH2 3.76Å
1040	E	94.5	Very high	94.2	Very high	32 Å²	32	58.3 Å²	58.3	15%	0.15	29%	0.292	C	S	.	.	H	α-helix	trans	-62.7	-36.1	176	-172.5	55.4	-136.8	0	0	111.7	S980 L981 F1036 R1043 F1044 R1047	S980-E1040 WeakPolarHBondContact CA-OE1 3.47Å; S980-E1040 WeakPolarHBondContact CB-OE1 3.22Å; S980-E1040 VanDerWaalsContact OG-CD 3.24Å; S980-E1040 PolarHBondContact OG-OE1 3.19Å; S980-E1040 PolarHBondContact OG-OE2 3.43Å; L981-E1040 PolarHBondContact N-OE2 3.49Å; F1036-E1040 WeakPolarHBondContact O-CB 3.19Å; F1036-E1040 PolarHBondContact O-N 2.89Å; F1036-E1040 VanDerWaalsContact O-N 3.08Å; E1040-R1043 IonicContact OE2-CZ 2.73Å; E1040-R1043 IonicContact OE2-NE 3.4Å; E1040-R1043 PolarHBondContact OE2-NE 3.01Å; E1040-R1043 IonicContact OE2-NH2 2.64Å; E1040-R1043 PolarHBondContact OE2-NH2 2.83Å; E1040-F1044 VanDerWaalsContact O-CB 3.31Å; E1040-F1044 WeakPolarHBondContact O-CB 3Å; E1040-F1044 PolarHBondContact O-N 3.17Å; E1040-R1047 IonicContact OE1-CZ 2.77Å; E1040-R1047 IonicContact OE1-NH1 3.5Å; E1040-R1047 IonicContact OE1-NH2 3.64Å; E1040-R1047 PolarHBondContact OE1-NH2 2.94Å
1041	T	94	Very high	93.8	Very high	78 Å²	78	60.8 Å²	60.8	48%	0.479	30%	0.301	S	S	.	.	H	α-helix	trans	-66.1	-44	172.4	-57.9	0	0	0	0	111.6	L1037 F1038 D1039 F1044 I1045	L1037-T1041 VanDerWaalsContact O-CB 3.28Å; L1037-T1041 WeakPolarHBondContact O-CB 3.43Å; L1037-T1041 PolarHBondContact O-N 3.31Å; L1037-T1041 VanDerWaalsContact O-N 3.1Å; L1037-T1041 PolarHBondContact O-OG1 2.9Å; F1038-T1041 PolarHBondContact O-N 3.26Å; D1039-T1041 VanDerWaalsContact C-N 3.26Å; D1039-T1041 PolarHBondContact O-N 2.96Å; T1041-F1044 WeakPolarHBondContact O-CB 3.2Å; T1041-F1044 PolarHBondContact O-N 3.47Å; T1041-I1045 HydrophobicContact CG2-CD1 4.14Å; T1041-I1045 WeakPolarHBondContact O-CG1 3.49Å; T1041-I1045 PolarHBondContact O-N 3.33Å
1042	R	94.1	Very high	93.5	Very high	10 Å²	10	60 Å²	60	4%	0.038	30%	0.304	C	S	.	.	H	α-helix	trans	-57.2	-50.9	175	-175.4	-169.2	69.8	84.4	2	111	F1038 D1039 F1044 I1045 I1046 I1054 T1058	F1038-R1042 WeakPolarHBondContact O-CB 3.3Å; F1038-R1042 PolarHBondContact O-N 2.92Å; D1039-R1042 WeakPolarHBondContact O-CB 3.21Å; D1039-R1042 PolarHBondContact O-N 2.96Å; D1039-R1042 VanDerWaalsContact O-N 3.12Å; D1039-R1042 IonicContact OD1-CZ 2.69Å; D1039-R1042 IonicContact OD1-NE 3.07Å; D1039-R1042 PolarHBondContact OD1-NE 2.86Å; D1039-R1042 IonicContact OD1-NH2 3.88Å; D1039-R1042 PolarHBondContact OD1-NH2 3.37Å; D1039-R1042 IonicContact OD2-NH2 3.12Å; R1042-F1044 PolarHBondContact O-N 3.31Å; R1042-I1045 PolarHBondContact O-N 3.05Å; R1042-I1045 VanDerWaalsContact O-N 3.16Å; R1042-I1046 HydrophobicContact CG-CD1 4.31Å; R1042-I1046 VanDerWaalsContact NH1-CD1 3.31Å; R1042-I1046 WeakPolarHBondContact O-CG1 3.34Å; R1042-I1046 PolarHBondContact O-N 3.4Å; R1042-I1054 HydrophobicContact CG-CG2 3.79Å; R1042-T1058 WeakPolarHBondContact CD-OG1 3.37Å; R1042-T1058 PolarHBondContact NH1-O 3.3Å; R1042-T1058 PolarHBondContact NH1-OG1 2.89Å; R1042-T1058 VanDerWaalsContact NH1-OG1 3.11Å
1043	R	93.7	Very high	93.3	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-63.8	-38.6	178	-63.9	-174.4	-60.1	-146.4	-1.1	112	I973 T976 N979 D1039 E1040 I1045 I1046 R1047	I973-R1043 PolarHBondContact O-NH1 3.36Å; T976-R1043 WeakPolarHBondContact O-CD 3.4Å; T976-R1043 PolarHBondContact O-NH1 2.83Å; T976-R1043 PolarHBondContact OG1-NH1 3.25Å; N979-R1043 WeakPolarHBondContact O-CD 3.39Å; N979-R1043 PolarHBondContact O-NE 3.02Å; D1039-R1043 WeakPolarHBondContact O-CG 3.44Å; D1039-R1043 PolarHBondContact O-N 2.88Å; D1039-R1043 WeakPolarHBondContact OD2-CD 3.46Å; D1039-R1043 WeakPolarHBondContact OD2-CG 3.44Å; D1039-R1043 IonicContact OD2-CZ 2.84Å; D1039-R1043 IonicContact OD2-NE 3.66Å; D1039-R1043 PolarHBondContact OD2-NE 3.32Å; D1039-R1043 VanDerWaalsContact OD2-NE 3.09Å; D1039-R1043 IonicContact OD2-NH1 3.06Å; D1039-R1043 PolarHBondContact OD2-NH1 3.19Å; D1039-R1043 VanDerWaalsContact OD2-NH1 3.11Å; D1039-R1043 IonicContact OD2-NH2 3.76Å; E1040-R1043 IonicContact OE2-CZ 2.73Å; E1040-R1043 IonicContact OE2-NE 3.4Å; E1040-R1043 PolarHBondContact OE2-NE 3.01Å; E1040-R1043 IonicContact OE2-NH2 2.64Å; E1040-R1043 PolarHBondContact OE2-NH2 2.83Å; R1043-I1045 VanDerWaalsContact C-N 3.32Å; R1043-I1045 PolarHBondContact O-N 2.9Å; R1043-I1046 PolarHBondContact O-N 3.3Å; R1043-R1047 VanDerWaalsContact CB-NH1 3.28Å; R1043-R1047 WeakPolarHBondContact O-CG 3.31Å; R1043-R1047 PolarHBondContact O-N 3.02Å
1044	F	94	Very high	93.1	Very high	108 Å²	108	65.6 Å²	65.6	47%	0.474	32%	0.319	S	S	.	.	H	α-helix	trans	-58.4	-42.5	172.3	175.4	-102.6	0	0	0	112.2	E1040 T1041 R1042 R1047 R1048	E1040-F1044 VanDerWaalsContact O-CB 3.31Å; E1040-F1044 WeakPolarHBondContact O-CB 3Å; E1040-F1044 PolarHBondContact O-N 3.17Å; T1041-F1044 WeakPolarHBondContact O-CB 3.2Å; T1041-F1044 PolarHBondContact O-N 3.47Å; R1042-F1044 PolarHBondContact O-N 3.31Å; F1044-R1047 PolarHBondContact O-N 3.08Å; F1044-R1048 WeakPolarHBondContact O-CB 3.18Å; F1044-R1048 PolarHBondContact O-N 3.11Å
1045	I	93.8	Very high	92.7	Very high	62 Å²	62	61.9 Å²	61.9	32%	0.318	30%	0.301	S	S	.	.	H	α-helix	trans	-68.3	-38.8	176.7	-60.8	161.6	0	0	0	111.5	T1041 R1042 R1043 R1047 R1048 S1049 I1054	T1041-I1045 HydrophobicContact CG2-CD1 4.14Å; T1041-I1045 WeakPolarHBondContact O-CG1 3.49Å; T1041-I1045 PolarHBondContact O-N 3.33Å; R1042-I1045 PolarHBondContact O-N 3.05Å; R1042-I1045 VanDerWaalsContact O-N 3.16Å; R1043-I1045 VanDerWaalsContact C-N 3.32Å; R1043-I1045 PolarHBondContact O-N 2.9Å; I1045-R1047 VanDerWaalsContact C-N 3.35Å; I1045-R1047 PolarHBondContact O-N 2.89Å; I1045-R1048 PolarHBondContact O-N 3.21Å; I1045-S1049 PolarHBondContact O-N 2.92Å; I1045-I1054 HydrophobicContact CB-CD1 4.24Å; I1045-I1054 HydrophobicContact CD1-CD1 3.81Å; I1045-I1054 HydrophobicContact CG2-CB 4.4Å; I1045-I1054 HydrophobicContact CG2-CD1 3.71Å
1046	I	93.2	Very high	92.4	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-61.3	-41.6	174.1	-66.9	169.6	0	0	0	111.6	R978 R1042 R1043 S1049 P1050 I1054 A1055	R978-I1046 HydrophobicContact CG-CG2 4.4Å; R1042-I1046 HydrophobicContact CG-CD1 4.31Å; R1042-I1046 VanDerWaalsContact NH1-CD1 3.31Å; R1042-I1046 WeakPolarHBondContact O-CG1 3.34Å; R1042-I1046 PolarHBondContact O-N 3.4Å; R1043-I1046 PolarHBondContact O-N 3.3Å; I1046-S1049 CarbonylContact O-C 3.57Å; I1046-P1050 WeakPolarHBondContact O-CA 3.43Å; I1046-I1054 HydrophobicContact CD1-CG2 4.37Å; I1046-I1054 HydrophobicContact CG1-CG2 3.93Å; I1046-A1055 HydrophobicContact CG1-CB 4.22Å; I1046-A1055 HydrophobicContact CG2-CB 4.24Å
1047	R	92.9	Very high	92.2	Very high	56 Å²	56	68.4 Å²	68.4	21%	0.211	33%	0.331	C	S	.	.	H	α-helix	trans	-65.9	-38.6	176.1	-69.6	-174.2	-59.7	-94.3	9.6	111.8	R978 N979 E1040 R1043 F1044 I1045	R978-R1047 HydrophobicContact CG-CG 4.3Å; R978-R1047 WeakPolarHBondContact O-CD 3.44Å; R978-R1047 WeakPolarHBondContact O-CG 3.38Å; R978-R1047 PolarHBondContact O-NH1 3.27Å; N979-R1047 VanDerWaalsContact C-NH1 3.26Å; N979-R1047 PolarHBondContact O-NH1 2.84Å; E1040-R1047 IonicContact OE1-CZ 2.77Å; E1040-R1047 IonicContact OE1-NH1 3.5Å; E1040-R1047 IonicContact OE1-NH2 3.64Å; E1040-R1047 PolarHBondContact OE1-NH2 2.94Å; R1043-R1047 VanDerWaalsContact CB-NH1 3.28Å; R1043-R1047 WeakPolarHBondContact O-CG 3.31Å; R1043-R1047 PolarHBondContact O-N 3.02Å; F1044-R1047 PolarHBondContact O-N 3.08Å; I1045-R1047 VanDerWaalsContact C-N 3.35Å; I1045-R1047 PolarHBondContact O-N 2.89Å
1048	R	93.4	Very high	92	Very high	195 Å²	195	64.2 Å²	64.2	74%	0.736	31%	0.309	S	S	*	.	H	α-helix	trans	-75.1	-33.6	179.4	-172.6	174.7	-179.6	177.7	0.2	113.7	F1044 I1045	F1044-R1048 WeakPolarHBondContact O-CB 3.18Å; F1044-R1048 PolarHBondContact O-N 3.11Å; I1045-R1048 PolarHBondContact O-N 3.21Å
1049	S	91.9	Very high	91.8	Very high	56 Å²	56	63.9 Å²	63.9	39%	0.392	31%	0.306	S	S	.	.			trans	-134.3	78	-176.1	-62.8	0	0	0	0	111.1	I1045 I1046 D1051 G1052	I1045-S1049 PolarHBondContact O-N 2.92Å; I1046-S1049 CarbonylContact O-C 3.57Å; S1049-D1051 VanDerWaalsContact C-N 3.31Å; S1049-D1051 PolarHBondContact O-N 3.04Å; S1049-G1052 PolarHBondContact O-N 3.41Å
1050	P	86.8	Confident	91.6	Very high	66 Å²	66	64.3 Å²	64.3	43%	0.429	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-34.9	-173.4	-26.5	36.1	0	0	0	115	I1046 A1055	I1046-P1050 WeakPolarHBondContact O-CA 3.43Å; P1050-A1055 WeakPolarHBondContact O-CB 3.35Å
1051	D	88.4	Confident	91.4	Very high	133 Å²	133	65.9 Å²	65.9	71%	0.711	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	6	177.2	-61	-64.9	0	0	0	113.7	S1049 K1056	S1049-D1051 VanDerWaalsContact C-N 3.31Å; S1049-D1051 PolarHBondContact O-N 3.04Å; D1051-K1056 WeakPolarHBondContact O-CE 3.31Å; D1051-K1056 PolarHBondContact O-NZ 3.36Å; D1051-K1056 VanDerWaalsContact O-NZ 3.13Å
1052	G	89.1	Confident	91.3	Very high	23 Å²	23	65.3 Å²	65.3	24%	0.237	31%	0.307	C	S	.	.	S	Bend	trans	-69	163.4	-176.6	0	0	0	0	0	113.3	S1049 I1054 A1055 K1056	S1049-G1052 PolarHBondContact O-N 3.41Å; G1052-I1054 PolarHBondContact O-N 2.86Å; G1052-A1055 WeakPolarHBondContact O-CB 3.39Å; G1052-A1055 PolarHBondContact O-N 2.84Å; G1052-A1055 VanDerWaalsContact O-N 3.07Å; G1052-K1056 PolarHBondContact O-N 3.35Å; G1052-K1056 VanDerWaalsContact O-N 3.1Å
1053	W	91.9	Very high	91.1	Very high	184 Å²	184	68.3 Å²	68.3	70%	0.697	32%	0.322	S	S	*	.	H	α-helix	trans	-55	-47.2	-179.1	-176.4	71.9	0	0	0	112.5	A1055 K1056 E1057	W1053-A1055 VanDerWaalsContact C-N 3.26Å; W1053-A1055 PolarHBondContact O-N 3.35Å; W1053-K1056 PolarHBondContact O-N 3.15Å; W1053-E1057 HydrophobicContact CD2-CG 3.92Å; W1053-E1057 VanDerWaalsContact CE2-CG 3.41Å; W1053-E1057 HydrophobicContact CG-CG 4.26Å; W1053-E1057 HydrophobicContact CH2-CG 4.33Å; W1053-E1057 HydrophobicContact CZ2-CG 3.67Å; W1053-E1057 PolarHBondContact NE1-OE1 2.91Å; W1053-E1057 VanDerWaalsContact NE1-OE1 3.12Å; W1053-E1057 WeakPolarHBondContact O-CG 3.49Å; W1053-E1057 PolarHBondContact O-N 3.1Å
1054	I	90.3	Very high	91	Very high	48 Å²	48	72.4 Å²	72.4	25%	0.246	34%	0.34	C	S	.	.	H	α-helix	trans	-59	-34.8	178.1	-69.7	164.9	0	0	0	112.5	R1042 I1045 I1046 G1052 T1058	R1042-I1054 HydrophobicContact CG-CG2 3.79Å; I1045-I1054 HydrophobicContact CB-CD1 4.24Å; I1045-I1054 HydrophobicContact CD1-CD1 3.81Å; I1045-I1054 HydrophobicContact CG2-CB 4.4Å; I1045-I1054 HydrophobicContact CG2-CD1 3.71Å; I1046-I1054 HydrophobicContact CD1-CG2 4.37Å; I1046-I1054 HydrophobicContact CG1-CG2 3.93Å; G1052-I1054 PolarHBondContact O-N 2.86Å; I1054-T1058 HydrophobicContact CG2-CG2 4.49Å; I1054-T1058 WeakPolarHBondContact O-CB 3.48Å; I1054-T1058 PolarHBondContact O-N 2.88Å; I1054-T1058 PolarHBondContact O-OG1 3.07Å
1055	A	89.2	Confident	90.8	Very high	9 Å²	9	70.1 Å²	70.1	7%	0.074	33%	0.332	C	S	.	.	H	α-helix	trans	-70.2	-41.1	174.7	0	0	0	0	0	111.4	I1046 P1050 G1052 W1053 E1057 Y1059	I1046-A1055 HydrophobicContact CG1-CB 4.22Å; I1046-A1055 HydrophobicContact CG2-CB 4.24Å; P1050-A1055 WeakPolarHBondContact O-CB 3.35Å; G1052-A1055 WeakPolarHBondContact O-CB 3.39Å; G1052-A1055 PolarHBondContact O-N 2.84Å; G1052-A1055 VanDerWaalsContact O-N 3.07Å; W1053-A1055 VanDerWaalsContact C-N 3.26Å; W1053-A1055 PolarHBondContact O-N 3.35Å; A1055-E1057 VanDerWaalsContact C-N 3.35Å; A1055-E1057 PolarHBondContact O-N 2.84Å; A1055-Y1059 WeakPolarHBondContact O-CB 3.5Å; A1055-Y1059 PolarHBondContact O-N 3.12Å
1056	K	89.4	Confident	90.6	Very high	118 Å²	118	70.7 Å²	70.7	51%	0.513	33%	0.333	S	S	.	.	H	α-helix	trans	-68.9	-28.8	178.9	-70.6	175.4	178.5	162.8	0	114.1	R885 D1051 G1052 W1053	R885-K1056 PolarHBondContact NE-O 2.91Å; R885-K1056 PolarHBondContact NH2-O 3.3Å; D1051-K1056 WeakPolarHBondContact O-CE 3.31Å; D1051-K1056 PolarHBondContact O-NZ 3.36Å; D1051-K1056 VanDerWaalsContact O-NZ 3.13Å; G1052-K1056 PolarHBondContact O-N 3.35Å; G1052-K1056 VanDerWaalsContact O-N 3.1Å; W1053-K1056 PolarHBondContact O-N 3.15Å
1057	E	90.7	Very high	90.4	Very high	82 Å²	82	75.7 Å²	75.7	38%	0.383	36%	0.357	S	S	.	.	H	α-helix	trans	-95.1	-35	179.6	-58.2	-56.9	158.8	0	0	113.9	R885 W1053 A1055	R885-E1057 VanDerWaalsContact CB-O 3.28Å; R885-E1057 WeakPolarHBondContact CB-O 3.44Å; R885-E1057 VanDerWaalsContact CG-O 3.31Å; R885-E1057 WeakPolarHBondContact CG-O 3.18Å; W1053-E1057 HydrophobicContact CD2-CG 3.92Å; W1053-E1057 VanDerWaalsContact CE2-CG 3.41Å; W1053-E1057 HydrophobicContact CG-CG 4.26Å; W1053-E1057 HydrophobicContact CH2-CG 4.33Å; W1053-E1057 HydrophobicContact CZ2-CG 3.67Å; W1053-E1057 PolarHBondContact NE1-OE1 2.91Å; W1053-E1057 VanDerWaalsContact NE1-OE1 3.12Å; W1053-E1057 WeakPolarHBondContact O-CG 3.49Å; W1053-E1057 PolarHBondContact O-N 3.1Å; A1055-E1057 VanDerWaalsContact C-N 3.35Å; A1055-E1057 PolarHBondContact O-N 2.84Å
1058	T	90.5	Very high	90.2	Very high	6 Å²	6	77.2 Å²	77.2	4%	0.037	37%	0.368	C	S	.	.	H	α-helix	trans	-117.8	-6.6	-168.2	77.7	0	0	0	0	115.2	M893 R1042 I1054 Y1060	M893-T1058 HydrophobicContact CE-CG2 4.08Å; M893-T1058 HydrophobicContact SD-CG2 4.44Å; R1042-T1058 WeakPolarHBondContact CD-OG1 3.37Å; R1042-T1058 PolarHBondContact NH1-O 3.3Å; R1042-T1058 PolarHBondContact NH1-OG1 2.89Å; R1042-T1058 VanDerWaalsContact NH1-OG1 3.11Å; I1054-T1058 HydrophobicContact CG2-CG2 4.49Å; I1054-T1058 WeakPolarHBondContact O-CB 3.48Å; I1054-T1058 PolarHBondContact O-N 2.88Å; I1054-T1058 PolarHBondContact O-OG1 3.07Å; T1058-Y1060 PolarHBondContact O-N 3.21Å
1059	Y	91.5	Very high	89.9	Confident	73 Å²	73	67.4 Å²	67.4	29%	0.286	34%	0.337	S	S	.	.			trans	-84.9	92.5	173.5	-172.5	-115.4	0	0	0	109.9	R885 R977 R978 A1055	R885-Y1059 WeakPolarHBondContact CD-O 3.28Å; R885-Y1059 PolarHBondContact NH1-O 3.27Å; R977-Y1059 HydrophobicContact CB-CE2 4.04Å; R978-Y1059 HydrophobicContact CB-CE2 3.92Å; A1055-Y1059 WeakPolarHBondContact O-CB 3.5Å; A1055-Y1059 PolarHBondContact O-N 3.12Å
1060	Y	89.7	Confident	89.8	Confident	11 Å²	11	68.5 Å²	68.5	4%	0.043	33%	0.332	C	S	.	.			trans	-75.9	0	178.9	61.2	-89.8	0	0	0	113.1	K810 A814 N883 L886 L889 R977 T1058	K810-Y1060 HydrophobicContact CB-CD2 4.36Å; K810-Y1060 HydrophobicContact CB-CE2 4.43Å; K810-Y1060 PolarHBondContact NZ-OXT 3.41Å; A814-Y1060 HydrophobicContact CB-CE2 4.03Å; N883-Y1060 PolarHBondContact ND2-OXT 3.3Å; L886-Y1060 HydrophobicContact CB-CG 4.32Å; L886-Y1060 HydrophobicContact CD1-CD2 3.94Å; L886-Y1060 HydrophobicContact CG-CD2 4.1Å; L886-Y1060 HydrophobicContact CG-CG 4.29Å; L889-Y1060 HydrophobicContact CD2-CD1 3.65Å; L889-Y1060 HydrophobicContact CD2-CE1 3.4Å; R977-Y1060 HydrophobicContact CG-CD2 4.16Å; R977-Y1060 HydrophobicContact CG-CE1 4.16Å; R977-Y1060 HydrophobicContact CG-CE2 3.51Å; R977-Y1060 PolarHBondContact NE-O 3.5Å; R977-Y1060 PolarHBondContact NH2-O 2.83Å; T1058-Y1060 PolarHBondContact O-N 3.21Å

Retrieved 1,060 of 1,060 residues in 863.4 ms (Link to these results)

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