FGDH_CAEEL Loading...

Isoform a of FYVE, RhoGEF and PH domain-containing protein tag-77

Canonical isoform description: Activates cdc-42, a member of the Ras-like family of Rho- and Rac proteins, by exchanging bound GDP for free GTP (By similarity). May play a role in regulating the actin cytoskeleton and cell shape (By similarity). Required for normal lifespan¹.

AlphaFold DB (Q18284), UniProt , Accession X5LX76-2 (canonical: X5LX76), Species CAEEL (Caenorhabditis elegans), Gene tag-77, Length 1,027 aa.

						>FGDH_CAEEL|X5LX76-2|tag-77
MKYDMNHRKNSDDTPPASRTVKEMMAEFQNKLDDGDNRFRKQPPPPPSPRRAPPPPPHRKPASLSPPPDDENTIRPPSSSESSENIPEEPQELITPNTTRRSLGPKPTVAPKPLFLNGLLPSSSTSDVSSQNSPKCDPHPSCTTPTILVSPATSEYSNGVFFGANETNGSGVKDRARQLVNMGFVPRMQNGGTGTPSERPISQVSTLSQVSDEFDEGDTSASDEESMNSEKHLRRHRHEDDFDELPLPKNERKTTTVAATHSEIMNEMEHLFVRGGKKNNGVHKQQRRQSNIDEIPSDVGKLRDNRKGRHNSLFVSPTSGMSSSSTDDFSRITSMTSDRSSILTSHSGGEDSTDGASPVPDYETGDEKDDQRLKKLHYAAVEFLKVQNNYVQYLKEMAVLYPEYMERFGKRVGRDLLASHNGHENVVLQIKKIMVQILPIHEMLLKEIDKVCSNWDSRYPNMSKTIGTFADFLKCCQPFLDNKADFLNKLLQLRNEDKEFDEATYMFETEVFKRGKKGAVIQQLDQVHQNFMRYKLLMLRYSEYLIDDCDEKEKAQEAIQKLENVTQAVNQKMGLPTTEELTKLYYRFQCQFNVLEPGRVLIRQSEVMKQTRKELQPRYLVLFTDYLWICRVSSSGQFDINRSYRIPLEYMKFERMEEDERIRCLQIRSRVKSALIIFSSEKERNQWTDDLTKAQYDRKSYKRRQSTAVQRHDENKKKMNKLLMLTPEVPDASDLERPQLIDSRSRSMSCESQDELSSVPVTPLDNGEIDETLGFGEVTRNGSGKKPPSEMIKPVWLPDNISNECLMEGCSTEFNIINRRHHCRDCGWLICKFCKGQAPLSKYDFTKQNVCSECFDRHYKAYKDGVLFPSKNMIVQSDETILVKIGKRNDKEIVDPRKLFKAPVNYGFRHRNVEEKRAQSIVFGRVYLRSRKTETVRHALLRRDDLKLVFYKAELDSKSVLELLIYGYFYRETPLDDGWLFELVHRNQIRTDDTKDDVISFRVDNSASAKKWSAAFADKLELDPTRG
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.1	Very low	29.9	Very low	251 Å²	251	172.2 Å²	172.2	100%	1.236	82%	0.816	S	S	*	*				0	166.7	0	-81.9	175	163.4	0	0	108.9
2	K	30.8	Very low	29.9	Very low	169 Å²	169	170.9 Å²	170.9	74%	0.735	82%	0.818	S	S	*	*			trans	-74.7	150.3	-175.4	-59.2	-176.9	178.7	-173.4	0	112.9
3	Y	28.7	Very low	30.1	Very low	215 Å²	215	169.4 Å²	169.4	84%	0.843	82%	0.817	S	S	*	*				170.7	92.7	112.4	-97.3	-75.5	0	0	0	106.4
4	D	28.1	Very low	30.1	Very low	122 Å²	122	167.2 Å²	167.2	65%	0.652	82%	0.82	S	S	*	*				82.8	107	79.9	-88.2	-53.3	0	0	0	114.8
5	M	32.8	Very low	30.9	Very low	161 Å²	161	163.7 Å²	163.7	79%	0.793	82%	0.815	S	S	*	*			trans	6.9	128.9	141.1	-69.2	-76.9	-167.6	0	0	118.7
6	N	27.9	Very low	31.1	Very low	145 Å²	145	161.6 Å²	161.6	78%	0.775	82%	0.817	S	S	*	*				170.2	150.4	127.1	-91	-35.5	0	0	0	111.3
7	H	30.7	Very low	31.3	Very low	151 Å²	151	157.9 Å²	157.9	70%	0.699	82%	0.817	S	S	*	*			cis	-171.3	133.4	-25.1	-147.8	8.3	0	0	0	108.8
8	R	27.7	Very low	31.8	Very low	242 Å²	242	155.5 Å²	155.5	91%	0.913	82%	0.816	S	S	*	*				173.4	153.3	127.6	-97	167.5	177.8	174.4	-0.1	113.2
9	K	30.6	Very low	32.9	Very low	184 Å²	184	157.9 Å²	157.9	80%	0.8	81%	0.813	S	S	*	*			trans	-101.8	162.4	178.3	-62.2	179.4	175.1	-174.9	0	110.9
10	N	27.8	Very low	34.2	Very low	152 Å²	152	154.2 Å²	154.2	81%	0.813	80%	0.798	S	S	*	*			trans	150	138.4	138.7	-76	0.8	0	0	0	108.9
11	S	30.4	Very low	34.8	Very low	102 Å²	102	151.7 Å²	151.7	71%	0.713	79%	0.789	S	S	*	*			cis	-168.1	130.4	-15.7	44.6	0	0	0	0	109.4
12	D	30	Very low	35.6	Very low	157 Å²	157	148.4 Å²	148.4	84%	0.84	77%	0.768	S	S	*	*			trans	34.6	112.6	155.8	-48.6	-7.8	0	0	0	121.6
13	D	32.7	Very low	36.6	Very low	151 Å²	151	145 Å²	145	81%	0.807	75%	0.754	S	S	*	*			trans	24	120.3	138.1	-58.8	-23.6	0	0	0	122.3
14	T	30.7	Very low	37.6	Very low	139 Å²	139	140.9 Å²	140.9	85%	0.853	75%	0.745	S	S	*	*				-172.9	158.7	101.4	21.9	0	0	0	0	112.3
15	P	41.2	Very low	38.6	Very low	115 Å²	115	141.3 Å²	141.3	75%	0.747	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-98.2	153.5	-166.8	37.1	-35.7	0	0	0	115.7
16	P	34.3	Very low	39.4	Very low	130 Å²	130	136.3 Å²	136.3	84%	0.844	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-87.1	161.4	170.9	35.4	-34.2	0	0	0	113.8
17	A	34.3	Very low	40.4	Very low	99 Å²	99	134.4 Å²	134.4	82%	0.818	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-82.1	171.7	-167.2	0	0	0	0	0	116.3
18	S	41.2	Very low	41	Very low	114 Å²	114	134.2 Å²	134.2	80%	0.797	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-72.2	144.7	178.3	43.6	0	0	0	0	114
19	R	52	Low	41.9	Very low	201 Å²	201	127.9 Å²	127.9	76%	0.758	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-77.2	160.7	171.1	-80.9	-171.9	174.5	170.2	-1.9	112.5	E23	R19-E23 VanDerWaalsContact CB-OE2 3.31Å; R19-E23 WeakPolarHBondContact CB-OE2 3.5Å; R19-E23 WeakPolarHBondContact CG-OE2 3.28Å
20	T	60	Low	42.4	Very low	84 Å²	84	125 Å²	125	52%	0.515	69%	0.686	S	S	.	*	P	Polyproline II helix	trans	-102.2	149.8	-176	68	0	0	0	0	112.8	K22 E23	T20-K22 PolarHBondContact O-N 3.48Å; T20-E23 PolarHBondContact N-OE2 3.33Å; T20-E23 WeakPolarHBondContact O-CB 3.36Å; T20-E23 PolarHBondContact O-N 3.49Å
21	V	47	Very low	43.3	Very low	101 Å²	101	124.1 Å²	124.1	61%	0.612	68%	0.675	S	S	*	*	H	α-helix	trans	-55.2	-27.1	-176.6	-179	0	0	0	0	113.1	E23 M24 M25	V21-E23 VanDerWaalsContact C-N 3.3Å; V21-E23 PolarHBondContact O-N 3.08Å; V21-M24 PolarHBondContact O-N 3.26Å; V21-M25 HydrophobicContact CG1-CE 4.49Å; V21-M25 HydrophobicContact CG1-CG 4.44Å; V21-M25 WeakPolarHBondContact O-CG 3.34Å; V21-M25 PolarHBondContact O-N 3.08Å; V21-M25 VanDerWaalsContact O-N 3.12Å
22	K	48.8	Very low	43.9	Very low	182 Å²	182	124.5 Å²	124.5	79%	0.791	67%	0.669	S	S	*	*	H	α-helix	trans	-67	-29.3	179.4	-159.9	172.9	-176	179.7	0	113.1	T20 A26	T20-K22 PolarHBondContact O-N 3.48Å; K22-A26 PolarHBondContact O-N 3.44Å
23	E	50.9	Low	44.3	Very low	97 Å²	97	123 Å²	123	45%	0.453	66%	0.661	S	S	.	*	H	α-helix	trans	-73.5	-42.1	174.7	-61.1	172.7	112	0	0	110.9	R19 T20 V21 M25 A26 E27	R19-E23 VanDerWaalsContact CB-OE2 3.31Å; R19-E23 WeakPolarHBondContact CB-OE2 3.5Å; R19-E23 WeakPolarHBondContact CG-OE2 3.28Å; T20-E23 PolarHBondContact N-OE2 3.33Å; T20-E23 WeakPolarHBondContact O-CB 3.36Å; T20-E23 PolarHBondContact O-N 3.49Å; V21-E23 VanDerWaalsContact C-N 3.3Å; V21-E23 PolarHBondContact O-N 3.08Å; E23-M25 VanDerWaalsContact C-N 3.33Å; E23-M25 PolarHBondContact O-N 3.3Å; E23-A26 PolarHBondContact O-N 3.34Å; E23-E27 PolarHBondContact O-N 3.16Å; E23-E27 VanDerWaalsContact O-N 3.15Å
24	M	49.6	Very low	44.6	Very low	130 Å²	130	123.2 Å²	123.2	64%	0.64	66%	0.662	S	S	*	*	H	α-helix	trans	-63.9	-36.6	178.7	-62.2	-179.6	70.8	0	0	112.5	V21 E27 F28	V21-M24 PolarHBondContact O-N 3.26Å; M24-E27 PolarHBondContact O-N 2.85Å; M24-F28 PolarHBondContact O-N 3.37Å; M24-F28 VanDerWaalsContact O-N 3.13Å
25	M	50	Low	45	Very low	130 Å²	130	119.8 Å²	119.8	64%	0.64	66%	0.655	S	S	*	*	H	α-helix	trans	-66.9	-38	176.4	-73	-70.7	169.5	0	0	112.5	V21 E23 F28 Q29	V21-M25 HydrophobicContact CG1-CE 4.49Å; V21-M25 HydrophobicContact CG1-CG 4.44Å; V21-M25 WeakPolarHBondContact O-CG 3.34Å; V21-M25 PolarHBondContact O-N 3.08Å; V21-M25 VanDerWaalsContact O-N 3.12Å; E23-M25 VanDerWaalsContact C-N 3.33Å; E23-M25 PolarHBondContact O-N 3.3Å; M25-F28 PolarHBondContact O-N 3.25Å; M25-Q29 PolarHBondContact O-N 3.13Å
26	A	48.9	Very low	45	Very low	56 Å²	56	121.4 Å²	121.4	46%	0.463	66%	0.657	S	S	.	*	H	α-helix	trans	-66.7	-38.8	175.6	0	0	0	0	0	112.1	K22 E23 F28 N30	K22-A26 PolarHBondContact O-N 3.44Å; E23-A26 PolarHBondContact O-N 3.34Å; A26-F28 VanDerWaalsContact C-N 3.27Å; A26-F28 PolarHBondContact O-N 2.95Å; A26-N30 PolarHBondContact O-N 2.99Å
27	E	48.8	Very low	45.2	Very low	106 Å²	106	122.6 Å²	122.6	50%	0.495	66%	0.656	S	S	.	*	H	α-helix	trans	-69.7	-23.7	176.2	-152	-166.3	136.3	0	0	113	E23 M24 K31	E23-E27 PolarHBondContact O-N 3.16Å; E23-E27 VanDerWaalsContact O-N 3.15Å; M24-E27 PolarHBondContact O-N 2.85Å; E27-K31 WeakPolarHBondContact O-CD 3.39Å; E27-K31 WeakPolarHBondContact O-CG 3.11Å; E27-K31 WeakPolarHBondContact OE1-CE 3.48Å; E27-K31 IonicContact OE1-NZ 3.13Å; E27-K31 PolarHBondContact OE1-NZ 2.6Å
28	F	44.8	Very low	45.3	Very low	146 Å²	146	128.6 Å²	128.6	64%	0.64	66%	0.658	S	S	*	*	H	α-helix	trans	-78	-42	176.1	-153.4	-91.1	0	0	0	112	M24 M25 A26 K31	M24-F28 PolarHBondContact O-N 3.37Å; M24-F28 VanDerWaalsContact O-N 3.13Å; M25-F28 PolarHBondContact O-N 3.25Å; A26-F28 VanDerWaalsContact C-N 3.27Å; A26-F28 PolarHBondContact O-N 2.95Å; F28-K31 PolarHBondContact O-N 2.98Å
29	Q	45.5	Very low	45	Very low	110 Å²	110	132.8 Å²	132.8	51%	0.514	66%	0.662	S	S	.	*	H	α-helix	trans	-63.3	-45.6	178.8	-167.7	62.7	44	0	0	111.7	M25 K31 L32	M25-Q29 PolarHBondContact O-N 3.13Å; Q29-K31 PolarHBondContact O-N 3.22Å; Q29-L32 PolarHBondContact O-N 3.11Å; Q29-L32 VanDerWaalsContact O-N 3.08Å
30	N	41.6	Very low	44.2	Very low	122 Å²	122	133.9 Å²	133.9	65%	0.652	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	-11	178.4	-74.1	-6	0	0	0	114.4	A26	A26-N30 PolarHBondContact O-N 2.99Å
31	K	45.9	Very low	43	Very low	134 Å²	134	138.8 Å²	138.8	58%	0.583	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	-2.4	177.6	-72.3	174.3	-172.5	168.6	0	113.9	E27 F28 Q29	E27-K31 WeakPolarHBondContact O-CD 3.39Å; E27-K31 WeakPolarHBondContact O-CG 3.11Å; E27-K31 WeakPolarHBondContact OE1-CE 3.48Å; E27-K31 IonicContact OE1-NZ 3.13Å; E27-K31 PolarHBondContact OE1-NZ 2.6Å; F28-K31 PolarHBondContact O-N 2.98Å; Q29-K31 PolarHBondContact O-N 3.22Å
32	L	44.1	Very low	42.3	Very low	110 Å²	110	142.6 Å²	142.6	58%	0.576	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	-32.5	175.5	-67.4	171.3	0	0	0	112.3	Q29	Q29-L32 PolarHBondContact O-N 3.11Å; Q29-L32 VanDerWaalsContact O-N 3.08Å
33	D	37.5	Very low	42	Very low	127 Å²	127	139.4 Å²	139.4	68%	0.679	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-81.7	-18.7	-175.5	-62.1	-37.9	0	0	0	114.1	G35	D33-G35 VanDerWaalsContact C-N 3.32Å; D33-G35 PolarHBondContact O-N 3.33Å
34	D	40.2	Very low	41.9	Very low	154 Å²	154	140.5 Å²	140.5	82%	0.824	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-89.7	8.8	-175.3	-151.8	23.7	0	0	0	113.6
35	G	38.7	Very low	41.7	Very low	68 Å²	68	139.9 Å²	139.9	70%	0.701	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-87.3	-23.2	-173.5	0	0	0	0	0	116.2	D33	D33-G35 VanDerWaalsContact C-N 3.32Å; D33-G35 PolarHBondContact O-N 3.33Å
36	D	40.6	Very low	41.4	Very low	148 Å²	148	139.2 Å²	139.2	79%	0.791	72%	0.715	S	S	*	*	S	Bend	trans	-113.6	50.2	-160.6	-162.2	20.1	0	0	0	114.4
37	N	38.3	Very low	41.1	Very low	155 Å²	155	142.9 Å²	142.9	83%	0.829	73%	0.734	S	S	*	*			trans	-158.8	64.6	170.5	-111.7	-57.7	0	0	0	116.2
38	R	36.7	Very low	40.7	Very low	226 Å²	226	143.2 Å²	143.2	85%	0.853	75%	0.749	S	S	*	*			trans	-175.4	116.9	164.1	-102	160.6	-133.4	-161.8	5.6	107.7
39	F	34.9	Very low	40.8	Very low	201 Å²	201	142.4 Å²	142.4	88%	0.882	76%	0.758	S	S	*	*			cis	-144.1	167.9	21.3	-79.9	-100.7	0	0	0	111.6
40	R	34.4	Very low	40.7	Very low	225 Å²	225	149 Å²	149	85%	0.849	78%	0.778	S	S	*	*			trans	-139.5	139	177.6	-160.7	-177.7	-178.6	-172.8	3.4	112.9
41	K	35.9	Very low	40.4	Very low	186 Å²	186	155.1 Å²	155.1	81%	0.809	79%	0.792	S	S	*	*			trans	72.7	153.1	-178.8	-49.6	-174.2	179.4	179.9	0	113.5
42	Q	32.8	Very low	40.2	Very low	182 Å²	182	153.1 Å²	153.1	85%	0.85	80%	0.801	S	S	*	*			cis	-131.8	164.1	20.1	-65.6	-177.5	13.4	0	0	113.7
43	P	42.8	Very low	40.7	Very low	114 Å²	114	153.6 Å²	153.6	74%	0.74	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-80.5	162.6	174.5	34.1	-37	0	0	0	114.1
44	P	48.3	Very low	41.2	Very low	120 Å²	120	153.2 Å²	153.2	78%	0.779	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-81.8	157.1	-176.9	33.2	-36.5	0	0	0	114.7
45	P	44.8	Very low	41.5	Very low	117 Å²	117	151.5 Å²	151.5	76%	0.76	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-80.4	162.2	179.7	33.5	-36.6	0	0	0	114.2
46	P	43.2	Very low	41.9	Very low	116 Å²	116	153.1 Å²	153.1	75%	0.753	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-79.8	156.9	-175.5	32.5	-36.8	0	0	0	114.5
47	P	44.3	Very low	42.2	Very low	133 Å²	133	152.5 Å²	152.5	86%	0.864	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-78.2	144.2	179.7	31.8	-35.3	0	0	0	113.6
48	S	39.9	Very low	42.1	Very low	114 Å²	114	153.2 Å²	153.2	80%	0.797	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-91.9	159.7	175	-71.1	0	0	0	0	112.8
49	P	46.7	Very low	41.9	Very low	129 Å²	129	153.3 Å²	153.3	84%	0.838	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-85.5	168.2	-155.5	32.5	-37.2	0	0	0	116.9
50	R	44	Very low	41.8	Very low	248 Å²	248	153.2 Å²	153.2	94%	0.936	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-65.8	155.4	-178	-65.1	-179.2	172.6	-155.7	-0.7	114.1
51	R	35	Very low	42.1	Very low	251 Å²	251	148.3 Å²	148.3	95%	0.947	81%	0.809	S	S	*	*			trans	-123.2	148.3	152.8	-139.1	176.4	-169.4	-145.1	1.7	109.9
52	A	42.2	Very low	41.8	Very low	92 Å²	92	143.6 Å²	143.6	76%	0.76	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-94.4	154.9	-169.5	0	0	0	0	0	113.7
53	P	53.4	Low	41.9	Very low	119 Å²	119	140.2 Å²	140.2	77%	0.773	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-77.9	156.4	170.6	33.4	-35.3	0	0	0	112.6
54	P	48.8	Very low	41.3	Very low	119 Å²	119	143 Å²	143	77%	0.773	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-74.9	163	178.4	31.3	-35.7	0	0	0	113.9
55	P	46.4	Very low	40.4	Very low	118 Å²	118	142 Å²	142	77%	0.766	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-83.7	163	-171.3	34.2	-37.5	0	0	0	114.8
56	P	46.5	Very low	40.3	Very low	103 Å²	103	142 Å²	142	67%	0.669	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-81.5	152.8	174.5	34.2	-35.6	0	0	0	113.2
57	P	47.6	Very low	40.9	Very low	134 Å²	134	140.6 Å²	140.6	87%	0.87	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-71.8	156.5	171	30.7	-34.6	0	0	0	112.8
58	H	35.8	Very low	40.9	Very low	170 Å²	170	139.8 Å²	139.8	79%	0.787	79%	0.79	S	S	*	*			trans	-113.4	150.8	-165.5	-91.9	-67.7	0	0	0	115.4
59	R	31.7	Very low	40.5	Very low	229 Å²	229	140.3 Å²	140.3	86%	0.864	78%	0.784	S	S	*	*			trans	71.9	117.2	147.2	-73.8	177.8	175.3	-162.1	-1.6	121.8
60	K	34.2	Very low	39.8	Very low	199 Å²	199	141 Å²	141	87%	0.865	78%	0.781	S	S	*	*				-4.6	157.2	122.7	-67.4	-173.9	178.4	-174	0	117.3
61	P	39.3	Very low	39.1	Very low	121 Å²	121	136.3 Å²	136.3	79%	0.786	77%	0.77	S	S	*	*			cis	-155.7	-172.6	42.1	44.9	-23.5	0	0	0	120.1
62	A	29.2	Very low	38.9	Very low	88 Å²	88	131.6 Å²	131.6	73%	0.727	76%	0.763	S	S	*	*			trans	81.2	106.2	143.9	0	0	0	0	0	123.4
63	S	35.1	Very low	38.4	Very low	111 Å²	111	132.7 Å²	132.7	78%	0.776	76%	0.761	S	S	*	*			trans	5.6	144.8	135	55.8	0	0	0	0	123.9
64	L	30.6	Very low	37.2	Very low	172 Å²	172	134.9 Å²	134.9	90%	0.901	76%	0.764	S	S	*	*				-166.8	173.1	129.2	-104.2	162	0	0	0	112.2
65	S	29.4	Very low	36.2	Very low	99 Å²	99	140 Å²	140	69%	0.692	77%	0.768	S	S	*	*			trans	-150.6	-170.6	-171.9	58.4	0	0	0	0	110.3
66	P	44.2	Very low	36.7	Very low	116 Å²	116	139.2 Å²	139.2	75%	0.753	76%	0.763	S	S	*	*			cis	-122.5	-101.5	-12.7	19.5	7.2	0	0	0	117.4
67	P	55.4	Low	36.6	Very low	88 Å²	88	140.3 Å²	140.3	57%	0.571	77%	0.77	S	S	*	*			trans	-116.1	-172	-133.5	43.6	-25.9	0	0	0	115.2
68	P	44.1	Very low	35.7	Very low	115 Å²	115	138.9 Å²	138.9	75%	0.747	76%	0.763	S	S	*	*				-126.1	168.1	81.3	14.9	8.3	0	0	0	112.9
69	D	31.5	Very low	35.7	Very low	125 Å²	125	135.8 Å²	135.8	67%	0.668	76%	0.761	S	S	*	*			cis	76.2	137.7	40.1	-38.9	-37.7	0	0	0	112.1
70	D	30.9	Very low	35.5	Very low	144 Å²	144	130 Å²	130	77%	0.77	76%	0.756	S	S	*	*			cis	-154.3	-174.8	12.4	-138.9	-19.3	0	0	0	115.2
71	E	29.9	Very low	35.5	Very low	149 Å²	149	129.6 Å²	129.6	70%	0.696	76%	0.757	S	S	*	*			trans	-40.5	151.5	-176.2	-56.7	-175.6	110.3	0	0	120.4
72	N	30.8	Very low	35	Very low	152 Å²	152	128.5 Å²	128.5	81%	0.813	75%	0.752	S	S	*	*				-160.8	151.1	106.2	-114	-81.2	0	0	0	115.9
73	T	31.8	Very low	35	Very low	115 Å²	115	129.2 Å²	129.2	71%	0.706	75%	0.752	S	S	*	*			trans	-125.9	145.6	179.6	-63.4	0	0	0	0	109.4
74	I	29.1	Very low	34.7	Very low	166 Å²	166	131.5 Å²	131.5	85%	0.851	75%	0.75	S	S	*	*			trans	-170.4	155.4	150	-103.4	149.6	0	0	0	111.6
75	R	27.2	Very low	34.6	Very low	225 Å²	225	129.7 Å²	129.7	85%	0.849	74%	0.741	S	S	*	*			trans	-146.2	177.8	179	-155.4	-165.1	-172.5	-135.7	4.3	108.5
76	P	56.1	Low	34.6	Very low	103 Å²	103	132.3 Å²	132.3	67%	0.669	75%	0.746	S	S	*	*				-77.6	-166.8	-103.3	40.8	-25.5	0	0	0	113.8
77	P	44	Very low	34.6	Very low	125 Å²	125	131.5 Å²	131.5	81%	0.812	74%	0.741	S	S	*	*				-146.1	-174.4	94.1	40.4	-24.1	0	0	0	115.5
78	S	29.8	Very low	33.3	Very low	104 Å²	104	135.6 Å²	135.6	73%	0.727	75%	0.752	S	S	*	*			trans	-92.2	-162.6	170.7	60.9	0	0	0	0	110.9
79	S	35.1	Very low	32.8	Very low	105 Å²	105	136.8 Å²	136.8	73%	0.734	75%	0.748	S	S	*	*			cis	-174.9	150.4	6.9	18.9	0	0	0	0	110.5
80	S	28.3	Very low	33.2	Very low	108 Å²	108	136 Å²	136	76%	0.755	75%	0.75	S	S	*	*			trans	179.3	128.3	152.4	55.1	0	0	0	0	108.1
81	E	33.4	Very low	33.1	Very low	190 Å²	190	135.7 Å²	135.7	89%	0.888	74%	0.744	S	S	*	*				66.2	139.4	55.7	-60.1	-165.8	139.3	0	0	113.3
82	S	29.1	Very low	32.9	Very low	98 Å²	98	135.4 Å²	135.4	69%	0.685	74%	0.742	S	S	*	*			cis	-150.3	161.3	21.1	61.1	0	0	0	0	114.9
83	S	28.9	Very low	32.7	Very low	103 Å²	103	134.5 Å²	134.5	72%	0.72	74%	0.737	S	S	*	*			trans	46.3	159.2	146.3	62.1	0	0	0	0	121.6
84	E	29.7	Very low	32.6	Very low	159 Å²	159	136.3 Å²	136.3	74%	0.743	74%	0.74	S	S	*	*			cis	-160.9	168.3	21.7	-153.8	174.4	-113.9	0	0	113.9
85	N	27.2	Very low	32.7	Very low	134 Å²	134	134.2 Å²	134.2	72%	0.717	74%	0.736	S	S	*	*			trans	89.6	159.7	159.1	-66.9	-57.6	0	0	0	122.1
86	I	30.5	Very low	33.6	Very low	155 Å²	155	128 Å²	128	80%	0.795	72%	0.724	S	S	*	*			trans	-152.4	158.2	-145.7	-82.3	166	0	0	0	106
87	P	43.9	Very low	32.3	Very low	98 Å²	98	129.7 Å²	129.7	64%	0.636	73%	0.728	S	S	*	*			cis	-123.2	-145.2	23.7	28.8	-2.1	0	0	0	112
88	E	27.6	Very low	31.5	Very low	174 Å²	174	129.1 Å²	129.1	81%	0.813	72%	0.722	S	S	*	*			cis	-161.6	170.4	9.5	-157.3	126.5	-100.8	0	0	113
89	E	34.8	Very low	31.5	Very low	140 Å²	140	129.7 Å²	129.7	65%	0.654	72%	0.722	S	S	*	*			trans	-140.3	141.6	167.8	-157.4	-160.7	148.8	0	0	108.2	Q91	E89-Q91 WeakPolarHBondContact OE1-CG 3.24Å; E89-Q91 PolarHBondContact OE1-NE2 3.09Å
90	P	39.8	Very low	31.2	Very low	110 Å²	110	134.7 Å²	134.7	71%	0.714	72%	0.724	S	S	*	*				-141.6	170.1	104.7	37.4	-20.2	0	0	0	111.3
91	Q	27.1	Very low	31.3	Very low	136 Å²	136	140.1 Å²	140.1	64%	0.636	73%	0.728	S	S	*	*			cis	59.8	144.7	46.8	-64.3	175.3	40.5	0	0	111.9	E89	E89-Q91 WeakPolarHBondContact OE1-CG 3.24Å; E89-Q91 PolarHBondContact OE1-NE2 3.09Å
92	E	27.4	Very low	31.2	Very low	144 Å²	144	135.6 Å²	135.6	67%	0.673	72%	0.718	S	S	*	*			cis	-158.5	157.5	2	-138.6	-161.3	179.1	0	0	111.9
93	L	25.2	Very low	31.2	Very low	133 Å²	133	139.1 Å²	139.1	70%	0.696	73%	0.728	S	S	*	*			trans	62.7	177.2	136.1	-131.2	69.4	0	0	0	123.3
94	I	29.6	Very low	31.2	Very low	152 Å²	152	137.9 Å²	137.9	78%	0.779	73%	0.731	S	S	*	*			trans	84.7	96	159.2	-65.8	160.5	0	0	0	118.5
95	T	31.8	Very low	31.8	Very low	123 Å²	123	136.7 Å²	136.7	76%	0.755	74%	0.738	S	S	*	*			trans	-78	-154.7	149	58.4	0	0	0	0	108.7
96	P	47	Very low	32.2	Very low	94 Å²	94	139.5 Å²	139.5	61%	0.61	74%	0.743	S	S	*	*			cis	-131.2	-176	-18	36.8	-17.8	0	0	0	113.7
97	N	28.7	Very low	32.8	Very low	138 Å²	138	138.2 Å²	138.2	74%	0.738	75%	0.745	S	S	*	*			trans	140.2	144.3	135.3	-76.5	-48.3	0	0	0	111
98	T	27.5	Very low	32.4	Very low	113 Å²	113	139.4 Å²	139.4	69%	0.693	75%	0.751	S	S	*	*			cis	-150.9	169.1	8.1	-3.8	0	0	0	0	107
99	T	29.6	Very low	32.5	Very low	117 Å²	117	138.1 Å²	138.1	72%	0.718	75%	0.754	S	S	*	*			cis	-163.4	143.7	31.8	-23.7	0	0	0	0	113.4
100	R	28.5	Very low	32.2	Very low	210 Å²	210	135.4 Å²	135.4	79%	0.792	76%	0.756	S	S	*	*			trans	26	130.3	149.3	-73.1	178.2	168.8	-170	-1.7	124
101	R	30.4	Very low	32.4	Very low	222 Å²	222	135.5 Å²	135.5	84%	0.838	76%	0.756	S	S	*	*			trans	63.6	154.7	132	-71	-174.5	174.9	-170.2	-2.6	118.8
102	S	30.7	Very low	32.5	Very low	95 Å²	95	138.5 Å²	138.5	66%	0.664	77%	0.767	S	S	*	*			cis	-178.3	161.4	-4.2	42.6	0	0	0	0	109.5
103	L	29.9	Very low	34.1	Very low	171 Å²	171	136.9 Å²	136.9	90%	0.895	77%	0.769	S	S	*	*			cis	-168.4	114.8	-10.7	-106.1	167.6	0	0	0	111.1
104	G	27.4	Very low	34.3	Very low	77 Å²	77	137 Å²	137	79%	0.794	77%	0.77	S	S	*	*			trans	66.7	-175.3	163.2	0	0	0	0	0	118.5
105	P	43.5	Very low	34.2	Very low	135 Å²	135	138 Å²	138	88%	0.877	77%	0.769	S	S	*	*			cis	-124	-179.5	-11.7	41	-26.4	0	0	0	115
106	K	34.6	Very low	34.1	Very low	193 Å²	193	138.2 Å²	138.2	84%	0.839	77%	0.765	S	S	*	*			trans	-89.2	160	174.1	-99.4	-180	179.9	179.5	0	111.2
107	P	43.3	Very low	33.2	Very low	128 Å²	128	140.7 Å²	140.7	83%	0.831	77%	0.773	S	S	*	*				-150.1	167.5	84.4	39.9	-21.1	0	0	0	118
108	T	35.4	Very low	33	Very low	123 Å²	123	137.5 Å²	137.5	76%	0.755	77%	0.773	S	S	*	*			trans	-88.2	157.3	163.6	48.4	0	0	0	0	111.7
109	V	30.2	Very low	33	Very low	147 Å²	147	140.4 Å²	140.4	89%	0.891	78%	0.783	S	S	*	*			trans	-177.3	159.5	142.7	134	0	0	0	0	111.8
110	A	28.3	Very low	33.2	Very low	83 Å²	83	142.1 Å²	142.1	69%	0.686	79%	0.787	S	S	*	*			trans	-134.6	-175	171.1	0	0	0	0	0	108
111	P	44.6	Very low	33.9	Very low	111 Å²	111	137.4 Å²	137.4	72%	0.721	78%	0.784	S	S	*	*			cis	-140.2	-172.8	-0.5	44.7	-26.9	0	0	0	115.3
112	K	29.7	Very low	33.8	Very low	200 Å²	200	131.9 Å²	131.9	87%	0.87	78%	0.779	S	S	*	*			trans	66.5	158.2	153.3	-81.4	-176.1	174.9	-177.5	0	120.3
113	P	60.7	Low	33.7	Very low	109 Å²	109	132.4 Å²	132.4	71%	0.708	78%	0.783	S	S	*	*			trans	-107.9	178.9	-179.1	42.1	-34.6	0	0	0	113.7
114	L	29.6	Very low	33.7	Very low	135 Å²	135	129.6 Å²	129.6	71%	0.707	78%	0.777	S	S	*	*				169.1	157.6	127.9	-93.1	167.5	0	0	0	114.7
115	F	27.4	Very low	33.7	Very low	173 Å²	173	131.7 Å²	131.7	76%	0.759	78%	0.775	S	S	*	*			trans	70.6	160	153.7	-62.3	-39.7	0	0	0	119.8
116	L	28.7	Very low	33.2	Very low	129 Å²	129	129.7 Å²	129.7	68%	0.675	76%	0.764	S	S	*	*			cis	-151.6	153.7	5.4	-154.2	63	0	0	0	114.8
117	N	28.1	Very low	33	Very low	145 Å²	145	127.5 Å²	127.5	78%	0.775	76%	0.761	S	S	*	*			trans	25.1	143.9	150.9	-65.3	-4	0	0	0	125.7
118	G	25.1	Very low	32.4	Very low	72 Å²	72	127.4 Å²	127.4	74%	0.742	76%	0.758	S	S	*	*				103	159	125.5	0	0	0	0	0	117.5
119	L	27.8	Very low	32.2	Very low	174 Å²	174	126.6 Å²	126.6	91%	0.911	76%	0.757	S	S	*	*			cis	-158.8	153.3	-8.5	-107.8	169.7	0	0	0	109.5
120	L	33.6	Very low	32.3	Very low	153 Å²	153	124.2 Å²	124.2	80%	0.801	75%	0.748	S	S	*	*			trans	-92.5	166.4	156.5	-78.1	170	0	0	0	108.1
121	P	42.8	Very low	32.8	Very low	111 Å²	111	128.4 Å²	128.4	72%	0.721	75%	0.753	S	S	*	*			cis	-153.4	178.6	30.5	46.6	-25.9	0	0	0	119.7
122	S	28.4	Very low	32.1	Very low	105 Å²	105	130.7 Å²	130.7	73%	0.734	76%	0.759	S	S	*	*			trans	19.2	137.8	143.9	67.4	0	0	0	0	125.8
123	S	28	Very low	32.3	Very low	107 Å²	107	126.4 Å²	126.4	75%	0.748	75%	0.754	S	S	*	*			trans	-161.6	134.2	134.2	37.2	0	0	0	0	108.3
124	S	30.1	Very low	32.3	Very low	111 Å²	111	126.5 Å²	126.5	78%	0.776	76%	0.755	S	S	*	*			cis	81.6	137.2	44.7	78.9	0	0	0	0	112.8
125	T	28.9	Very low	32.4	Very low	122 Å²	122	129.4 Å²	129.4	75%	0.748	76%	0.762	S	S	*	*			cis	-152.5	152.8	22.5	43.7	0	0	0	0	111.3
126	S	31.3	Very low	32.2	Very low	92 Å²	92	125.9 Å²	125.9	64%	0.643	76%	0.758	S	S	*	*				62	141.5	85.5	108.4	0	0	0	0	116
127	D	30.5	Very low	32	Very low	147 Å²	147	127 Å²	127	79%	0.786	76%	0.764	S	S	*	*			cis	-142.6	-144.8	5.5	-76.2	-63.5	0	0	0	111.3
128	V	30.5	Very low	33	Very low	127 Å²	127	126 Å²	126	77%	0.77	77%	0.766	S	S	*	*			cis	-166.3	153	6.4	83.8	0	0	0	0	114.8
129	S	31.2	Very low	33.3	Very low	105 Å²	105	131.3 Å²	131.3	73%	0.734	77%	0.771	S	S	*	*			trans	53.3	167.9	154.3	92.6	0	0	0	0	123.3
130	S	33.3	Very low	34.4	Very low	98 Å²	98	128.1 Å²	128.1	69%	0.685	76%	0.76	S	S	*	*			cis	-164.8	140.1	-1.2	18.5	0	0	0	0	116.5
131	Q	38.8	Very low	34.2	Very low	171 Å²	171	125.9 Å²	125.9	80%	0.799	76%	0.758	S	S	*	*			trans	52.1	131.6	140	-58.9	-175.1	0.7	0	0	126.5
132	N	29.8	Very low	33.3	Very low	159 Å²	159	126 Å²	126	85%	0.85	76%	0.76	S	S	*	*				179.5	159.6	109.8	-96.3	-54.2	0	0	0	115.3
133	S	35	Very low	33.1	Very low	109 Å²	109	127.2 Å²	127.2	76%	0.762	76%	0.763	S	S	*	*			trans	-169.6	-163.3	-176.2	67.5	0	0	0	0	111.4
134	P	60.5	Low	33	Very low	111 Å²	111	128.3 Å²	128.3	72%	0.721	77%	0.765	S	S	*	*			cis	-136.4	-173.6	-18.7	43.1	-26.2	0	0	0	115
135	K	30.6	Very low	33	Very low	197 Å²	197	129 Å²	129	86%	0.857	77%	0.767	S	S	*	*			trans	173.8	137.6	138.1	-100.7	-178.4	-179.4	-175.7	0	118.7
136	C	23.5	Very low	32.7	Very low	99 Å²	99	129.2 Å²	129.2	67%	0.669	77%	0.768	S	S	*	*			trans	61	114	144.2	-62.2	0	0	0	0	126.4
137	D	24.3	Very low	32.3	Very low	151 Å²	151	131.7 Å²	131.7	81%	0.807	77%	0.773	S	S	*	*				46.7	157.2	118.6	-51.3	-44.2	0	0	0	124.4
138	P	48.6	Very low	31.8	Very low	125 Å²	125	132 Å²	132	81%	0.812	77%	0.774	S	S	*	*			cis	-133.8	-169.4	-3	33.2	-9.4	0	0	0	117.5
139	H	32	Very low	31.4	Very low	183 Å²	183	132.2 Å²	132.2	85%	0.847	78%	0.775	S	S	*	*			trans	-69	-179.8	-179.4	-82.4	-57.1	0	0	0	117.8
140	P	50	Low	31.1	Very low	107 Å²	107	132.2 Å²	132.2	70%	0.695	78%	0.775	S	S	*	*			cis	-147.5	163.3	20.1	42.7	-21.9	0	0	0	122.5
141	S	30.4	Very low	31.8	Very low	107 Å²	107	133.3 Å²	133.3	75%	0.748	78%	0.78	S	S	*	*			trans	69.8	152.5	143.6	77.1	0	0	0	0	121.4
142	C	23.3	Very low	30.9	Very low	112 Å²	112	129.3 Å²	129.3	76%	0.757	78%	0.776	S	S	*	*			cis	-162.7	163.3	-11.6	-127.2	0	0	0	0	115.5
143	T	23.7	Very low	30.6	Very low	132 Å²	132	127.4 Å²	127.4	81%	0.81	77%	0.771	S	S	*	*			trans	66.3	130.4	149.8	43	0	0	0	0	125.1
144	T	26.3	Very low	30.1	Very low	129 Å²	129	127.5 Å²	127.5	79%	0.791	77%	0.771	S	S	*	*			trans	-74.3	168	156.2	12.6	0	0	0	0	112.5
145	P	30.3	Very low	28.3	Very low	125 Å²	125	129.3 Å²	129.3	81%	0.812	77%	0.77	S	S	*	*				-154.2	-170.4	59.3	44.2	-21.5	0	0	0	118.9
146	T	23.2	Very low	28	Very low	127 Å²	127	129.7 Å²	129.7	78%	0.779	77%	0.767	S	S	*	*			trans	-71.1	173.4	178.3	-36.4	0	0	0	0	114.4
147	I	21.9	Very low	27.9	Very low	144 Å²	144	129.3 Å²	129.3	74%	0.738	77%	0.766	S	S	*	*			trans	126	114.6	143.6	-75.9	171.4	0	0	0	118.9
148	L	20.7	Very low	28.1	Very low	154 Å²	154	129.6 Å²	129.6	81%	0.806	77%	0.767	S	S	*	*			trans	70.4	149.2	144.9	-75.1	175.7	0	0	0	125.7
149	V	22.3	Very low	27	Very low	131 Å²	131	127.4 Å²	127.4	79%	0.794	77%	0.767	S	S	*	*			trans	81.2	115.2	139.9	158.1	0	0	0	0	121.5
150	S	25.2	Very low	26.8	Very low	105 Å²	105	125 Å²	125	73%	0.734	77%	0.765	S	S	*	*			trans	-102.1	171.4	144.2	46.3	0	0	0	0	108.9
151	P	46.8	Very low	25.7	Very low	122 Å²	122	128.9 Å²	128.9	79%	0.792	77%	0.772	S	S	*	*			cis	-134.8	172.2	3.8	42.9	-27.1	0	0	0	115.9
152	A	21.6	Very low	25.5	Very low	87 Å²	87	133.9 Å²	133.9	72%	0.719	78%	0.78	S	S	*	*			trans	-160.9	127.1	155.9	0	0	0	0	0	107.7
153	T	23.5	Very low	25.5	Very low	119 Å²	119	132.2 Å²	132.2	73%	0.73	78%	0.782	S	S	*	*			cis	82	128.2	45.4	65	0	0	0	0	115.2
154	S	23.6	Very low	25.8	Very low	110 Å²	110	130.5 Å²	130.5	77%	0.769	78%	0.781	S	S	*	*			trans	66.1	157.8	167.9	73.9	0	0	0	0	117.6
155	E	23.7	Very low	26	Very low	150 Å²	150	131.8 Å²	131.8	70%	0.701	78%	0.783	S	S	*	*			cis	-165.3	-179.6	-28.2	-103.7	-175.2	166.4	0	0	106.2
156	Y	23	Very low	25.8	Very low	205 Å²	205	135.4 Å²	135.4	80%	0.804	79%	0.789	S	S	*	*			trans	66	151.6	171.2	-63.3	-93.6	0	0	0	116.7
157	S	21.9	Very low	26.2	Very low	91 Å²	91	135.2 Å²	135.2	64%	0.636	79%	0.788	S	S	*	*			cis	-166.6	154.9	-25.7	51.2	0	0	0	0	111.6
158	N	29.3	Very low	26.6	Very low	156 Å²	156	136.2 Å²	136.2	83%	0.834	80%	0.795	S	S	*	*			trans	21.5	105.4	150.3	-61.9	-13.8	0	0	0	119.1
159	G	23.8	Very low	27.2	Very low	79 Å²	79	132.5 Å²	132.5	81%	0.814	79%	0.794	S	S	*	*			trans	-117	81	161.7	0	0	0	0	0	111.7	F161	G159-F161 PolarHBondContact O-N 2.89Å
160	V	29.5	Very low	27.8	Very low	132 Å²	132	129.8 Å²	129.8	80%	0.8	78%	0.781	S	S	*	*			trans	-75.2	117.2	172.7	175.4	0	0	0	0	108.7
161	F	25.4	Very low	28.4	Very low	190 Å²	190	126.6 Å²	126.6	83%	0.833	77%	0.765	S	S	*	*			trans	-148.3	66.7	177.6	-137.4	-82.1	0	0	0	114.9	G159	G159-F161 PolarHBondContact O-N 2.89Å
162	F	26.2	Very low	28.3	Very low	211 Å²	211	122.4 Å²	122.4	93%	0.925	74%	0.737	S	S	*	*			trans	-136.5	101.7	155.1	-78.1	-70.7	0	0	0	109.2
163	G	23.6	Very low	29.3	Very low	77 Å²	77	126 Å²	126	79%	0.794	74%	0.736	S	S	*	*			trans	-72	145.9	169.6	0	0	0	0	0	110.8
164	A	30.4	Very low	30.5	Very low	96 Å²	96	122.8 Å²	122.8	79%	0.793	72%	0.715	S	S	*	*			trans	-86.3	113.8	177.3	0	0	0	0	0	110.9
165	N	29.7	Very low	31.8	Very low	157 Å²	157	122.7 Å²	122.7	84%	0.84	70%	0.697	S	S	*	*			trans	177.1	119.4	142	-94.6	-18.1	0	0	0	109.9
166	E	27.4	Very low	32.8	Very low	200 Å²	200	116.6 Å²	116.6	94%	0.935	67%	0.673	S	S	*	*			trans	-173.8	140.2	138.9	-110.1	169.5	-158	0	0	110.9
167	T	30.8	Very low	34	Very low	124 Å²	124	114.6 Å²	114.6	76%	0.761	66%	0.664	S	S	*	*			trans	-106.1	142.5	-177	49.3	0	0	0	0	112
168	N	31	Very low	35.2	Very low	164 Å²	164	115.5 Å²	115.5	88%	0.877	66%	0.658	S	S	*	*	S	Bend	trans	70.3	142.9	166	-59.4	-19.7	0	0	0	118.8
169	G	33.4	Very low	36.1	Very low	77 Å²	77	108.2 Å²	108.2	79%	0.794	62%	0.619	S	S	*	*	S	Bend	trans	103.1	-88.4	147.3	0	0	0	0	0	118.3
170	S	33.7	Very low	37.3	Very low	73 Å²	73	108.2 Å²	108.2	51%	0.51	60%	0.603	S	S	.	*			trans	-94	-26.9	-147.9	76.1	0	0	0	0	117.2	V172 K173 D174	S170-V172 PolarHBondContact O-N 3.42Å; S170-K173 PolarHBondContact O-N 2.97Å; S170-D174 VanDerWaalsContact CB-OD2 3.29Å; S170-D174 WeakPolarHBondContact CB-OD2 3.46Å; S170-D174 PolarHBondContact OG-OD2 3.33Å
171	G	38.8	Very low	37.8	Very low	39 Å²	39	108.6 Å²	108.6	40%	0.402	60%	0.601	S	S	.	*	H	α-helix	trans	-55	-20.9	-147.5	0	0	0	0	0	119	D174 R175	G171-D174 PolarHBondContact O-N 3.15Å; G171-R175 WeakPolarHBondContact O-CB 3.45Å; G171-R175 WeakPolarHBondContact O-CG 3.49Å; G171-R175 PolarHBondContact O-N 3.43Å
172	V	45	Very low	38.6	Very low	33 Å²	33	105 Å²	105	20%	0.2	59%	0.588	C	S	.	*	H	α-helix	trans	-65.6	-39	175.3	-167.2	0	0	0	0	111.4	S170 D174 A176 T468 F469	S170-V172 PolarHBondContact O-N 3.42Å; V172-D174 VanDerWaalsContact C-N 3.34Å; V172-A176 PolarHBondContact O-N 3.48Å; V172-T468 HydrophobicContact CG1-CG2 3.83Å; V172-F469 HydrophobicContact CG1-CE2 4.48Å
173	K	42.8	Very low	39	Very low	162 Å²	162	97.8 Å²	97.8	70%	0.704	57%	0.573	S	S	*	*	H	α-helix	trans	-69.5	-33.1	177	-73.8	-172.6	175	-177.7	0	112	S170 A176 R177	S170-K173 PolarHBondContact O-N 2.97Å; K173-A176 WeakPolarHBondContact O-CB 3.37Å; K173-A176 PolarHBondContact O-N 3.27Å; K173-R177 WeakPolarHBondContact O-CG 3.37Å; K173-R177 PolarHBondContact O-N 3.19Å; K173-R177 VanDerWaalsContact O-N 3.09Å
174	D	47.8	Very low	39.8	Very low	53 Å²	53	98 Å²	98	28%	0.283	55%	0.553	S	S	.	*	H	α-helix	trans	-79.1	-30.6	179.9	-58.3	-55.8	0	0	0	112	S170 G171 V172 R177 Q178	S170-D174 VanDerWaalsContact CB-OD2 3.29Å; S170-D174 WeakPolarHBondContact CB-OD2 3.46Å; S170-D174 PolarHBondContact OG-OD2 3.33Å; G171-D174 PolarHBondContact O-N 3.15Å; V172-D174 VanDerWaalsContact C-N 3.34Å; D174-R177 WeakPolarHBondContact O-CB 2.94Å; D174-R177 PolarHBondContact O-N 3.42Å; D174-R177 IonicContact OD1-CZ 3.85Å; D174-R177 IonicContact OD1-NH1 3.72Å; D174-R177 PolarHBondContact OD1-NH1 3.12Å; D174-Q178 PolarHBondContact O-N 3.23Å
175	R	51.3	Low	40	Very low	107 Å²	107	97.2 Å²	97.2	40%	0.404	54%	0.538	S	S	.	.	H	α-helix	trans	-67.2	-35.6	165.4	-76.9	176.9	170.6	-177.1	-2.7	112.9	G171 R177 Q178 L179 M443 E447	G171-R175 WeakPolarHBondContact O-CB 3.45Å; G171-R175 WeakPolarHBondContact O-CG 3.49Å; G171-R175 PolarHBondContact O-N 3.43Å; R175-R177 VanDerWaalsContact C-N 3.31Å; R175-R177 PolarHBondContact O-N 3.32Å; R175-Q178 WeakPolarHBondContact O-CB 3.4Å; R175-Q178 PolarHBondContact O-N 3.13Å; R175-L179 PolarHBondContact O-N 2.96Å; R175-L179 VanDerWaalsContact O-N 3.16Å; R175-M443 HydrophobicContact CB-CE 3.89Å; R175-M443 HydrophobicContact CG-CE 4.38Å; R175-E447 WeakPolarHBondContact CD-OE1 3.45Å; R175-E447 IonicContact CZ-OE1 3.34Å; R175-E447 IonicContact NE-OE1 2.73Å; R175-E447 IonicContact NH1-OE1 3.01Å; R175-E447 PolarHBondContact NH1-OE1 3.01Å
176	A	44.2	Very low	39.9	Very low	23 Å²	23	95.3 Å²	95.3	19%	0.19	53%	0.534	C	S	.	.	H	α-helix	trans	-63.8	-35.2	171	0	0	0	0	0	112.3	V172 K173 L179 V180 F472	V172-A176 PolarHBondContact O-N 3.48Å; K173-A176 WeakPolarHBondContact O-CB 3.37Å; K173-A176 PolarHBondContact O-N 3.27Å; A176-L179 PolarHBondContact O-N 2.82Å; A176-V180 PolarHBondContact O-N 2.9Å; A176-F472 HydrophobicContact CB-CE2 4.13Å; A176-F472 HydrophobicContact CB-CZ 3.96Å
177	R	48.5	Very low	39.9	Very low	162 Å²	162	97 Å²	97	61%	0.611	53%	0.532	S	S	*	.	H	α-helix	trans	-65.7	-37.6	170.8	-70.3	165	166.3	164.3	-10.4	112.4	K173 D174 R175 L179 V180 N181	K173-R177 WeakPolarHBondContact O-CG 3.37Å; K173-R177 PolarHBondContact O-N 3.19Å; K173-R177 VanDerWaalsContact O-N 3.09Å; D174-R177 WeakPolarHBondContact O-CB 2.94Å; D174-R177 PolarHBondContact O-N 3.42Å; D174-R177 IonicContact OD1-CZ 3.85Å; D174-R177 IonicContact OD1-NH1 3.72Å; D174-R177 PolarHBondContact OD1-NH1 3.12Å; R175-R177 VanDerWaalsContact C-N 3.31Å; R175-R177 PolarHBondContact O-N 3.32Å; R177-L179 VanDerWaalsContact C-N 3.33Å; R177-L179 PolarHBondContact O-N 3.12Å; R177-V180 PolarHBondContact O-N 3.39Å; R177-N181 PolarHBondContact O-N 3.38Å
178	Q	47.4	Very low	39.7	Very low	110 Å²	110	98.9 Å²	98.9	51%	0.514	53%	0.534	S	S	.	.	H	α-helix	trans	-62.2	-37.1	174.3	-72.8	177.7	-24.2	0	0	112.8	D174 R175 V180 N181 M182	D174-Q178 PolarHBondContact O-N 3.23Å; R175-Q178 WeakPolarHBondContact O-CB 3.4Å; R175-Q178 PolarHBondContact O-N 3.13Å; Q178-V180 VanDerWaalsContact C-N 3.32Å; Q178-V180 PolarHBondContact O-N 3.26Å; Q178-N181 PolarHBondContact O-N 2.91Å; Q178-M182 WeakPolarHBondContact O-CG 3.39Å; Q178-M182 PolarHBondContact O-N 3.15Å
179	L	47.5	Very low	39.6	Very low	3 Å²	3	100.1 Å²	100.1	2%	0.016	53%	0.534	C	S	.	.	H	α-helix	trans	-62	-37.5	175.1	-72.6	173.3	0	0	0	112.9	R175 A176 R177 I440 M443 F472	R175-L179 PolarHBondContact O-N 2.96Å; R175-L179 VanDerWaalsContact O-N 3.16Å; A176-L179 PolarHBondContact O-N 2.82Å; R177-L179 VanDerWaalsContact C-N 3.33Å; R177-L179 PolarHBondContact O-N 3.12Å; L179-I440 HydrophobicContact CD2-CG1 3.99Å; L179-M443 HydrophobicContact CD1-CE 4.25Å; L179-M443 HydrophobicContact CD2-CE 4.13Å; L179-M443 HydrophobicContact CD2-SD 3.58Å; L179-M443 VanDerWaalsContact CD2-SD 3.58Å; L179-M443 HydrophobicContact CG-CE 3.94Å; L179-M443 HydrophobicContact CG-SD 4.09Å; L179-F472 HydrophobicContact CB-CD1 4.28Å; L179-F472 HydrophobicContact CB-CE1 3.73Å; L179-F472 HydrophobicContact CB-CZ 4.41Å; L179-F472 HydrophobicContact CD1-CD1 3.63Å; L179-F472 HydrophobicContact CD1-CD2 4.42Å; L179-F472 HydrophobicContact CD1-CE1 3.63Å; L179-F472 HydrophobicContact CD1-CE2 4.42Å; L179-F472 HydrophobicContact CD1-CG 4.04Å; L179-F472 HydrophobicContact CD1-CZ 4.04Å; L179-F472 HydrophobicContact CG-CE1 4.34Å
180	V	48.2	Very low	39.4	Very low	79 Å²	79	104.2 Å²	104.2	48%	0.479	54%	0.538	S	S	.	.	H	α-helix	trans	-68.6	-44.8	173.3	179.2	0	0	0	0	110.9	A176 R177 Q178 M182 G183	A176-V180 PolarHBondContact O-N 2.9Å; R177-V180 PolarHBondContact O-N 3.39Å; Q178-V180 VanDerWaalsContact C-N 3.32Å; Q178-V180 PolarHBondContact O-N 3.26Å; V180-M182 VanDerWaalsContact C-N 3.27Å; V180-M182 PolarHBondContact O-N 3.28Å; V180-G183 PolarHBondContact O-N 2.85Å
181	N	41.4	Very low	39.1	Very low	141 Å²	141	104.4 Å²	104.4	75%	0.754	55%	0.552	S	S	*	*	H	α-helix	trans	-67.5	-22.7	-179	-72.6	-2.7	0	0	0	113.8	R177 Q178 G183	R177-N181 PolarHBondContact O-N 3.38Å; Q178-N181 PolarHBondContact O-N 2.91Å; N181-G183 VanDerWaalsContact C-N 3.28Å
182	M	41.8	Very low	38.6	Very low	114 Å²	114	105.7 Å²	105.7	56%	0.562	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	8.2	171.4	-66.8	-159.9	-63.5	0	0	114	Q178 V180 F184	Q178-M182 WeakPolarHBondContact O-CG 3.39Å; Q178-M182 PolarHBondContact O-N 3.15Å; V180-M182 VanDerWaalsContact C-N 3.27Å; V180-M182 PolarHBondContact O-N 3.28Å; M182-F184 HydrophobicContact CB-CD2 3.71Å; M182-F184 HydrophobicContact CB-CE2 3.68Å; M182-F184 HydrophobicContact CE-CE2 4.1Å; M182-F184 PolarHBondContact O-N 3.42Å
183	G	34.2	Very low	37.8	Very low	60 Å²	60	111.5 Å²	111.5	62%	0.619	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	79	12.8	168.2	0	0	0	0	0	116.2	V180 N181 V185	V180-G183 PolarHBondContact O-N 2.85Å; N181-G183 VanDerWaalsContact C-N 3.28Å; G183-V185 VanDerWaalsContact C-N 3.26Å; G183-V185 PolarHBondContact O-N 2.9Å
184	F	40.6	Very low	37	Very low	82 Å²	82	107.7 Å²	107.7	36%	0.36	61%	0.607	S	S	.	*			trans	-75.5	-4.4	-176.6	-73.5	-83.1	0	0	0	115.1	M182 Q436	M182-F184 HydrophobicContact CB-CD2 3.71Å; M182-F184 HydrophobicContact CB-CE2 3.68Å; M182-F184 HydrophobicContact CE-CE2 4.1Å; M182-F184 PolarHBondContact O-N 3.42Å; F184-Q436 HydrophobicContact CE1-CB 4.42Å
185	V	34.7	Very low	35.9	Very low	79 Å²	79	111.8 Å²	111.8	48%	0.479	63%	0.634	S	S	.	*	S	Bend	trans	-142.8	137.2	179	-172.5	0	0	0	0	110.2	G183	G183-V185 VanDerWaalsContact C-N 3.26Å; G183-V185 PolarHBondContact O-N 2.9Å
186	P	27.7	Very low	35	Very low	116 Å²	116	112.8 Å²	112.8	75%	0.753	66%	0.655	S	S	*	*			trans	-60.5	137.1	172.9	-23.7	34.6	0	0	0	113	M188	P186-M188 PolarHBondContact O-N 2.93Å; P186-M188 VanDerWaalsContact O-N 3.08Å
187	R	26.2	Very low	34.1	Very low	236 Å²	236	116.7 Å²	116.7	89%	0.891	68%	0.68	S	S	*	*			trans	-74	97.6	179.3	-177.8	176.7	177.8	166.8	-1.9	111
188	M	28.2	Very low	32.9	Very low	164 Å²	164	117.7 Å²	117.7	81%	0.808	69%	0.692	S	S	*	*			trans	-59	136.4	169.5	-64.8	-95.2	71.5	0	0	110.5	P186	P186-M188 PolarHBondContact O-N 2.93Å; P186-M188 VanDerWaalsContact O-N 3.08Å
189	Q	28.4	Very low	31.9	Very low	189 Å²	189	123.6 Å²	123.6	88%	0.883	71%	0.71	S	S	*	*			trans	-88.9	113.6	175	-72	177.7	-22.3	0	0	110	G191	Q189-G191 PolarHBondContact O-N 3.37Å
190	N	29.8	Very low	31.1	Very low	163 Å²	163	128.6 Å²	128.6	87%	0.872	74%	0.742	S	S	*	*			trans	-86.4	103.6	160.4	-81.9	10.9	0	0	0	108.8
191	G	27	Very low	29.9	Very low	78 Å²	78	131.9 Å²	131.9	80%	0.804	76%	0.756	S	S	*	*			trans	-71.3	149	154.8	0	0	0	0	0	109.7	Q189	Q189-G191 PolarHBondContact O-N 3.37Å
192	G	27.2	Very low	29	Very low	65 Å²	65	129.6 Å²	129.6	67%	0.67	75%	0.751	S	S	*	*			trans	-123.3	170.7	-172.5	0	0	0	0	0	114.7
193	T	30	Very low	28.3	Very low	155 Å²	155	132.5 Å²	132.5	95%	0.951	76%	0.763	S	S	*	*			trans	59.9	116.7	160.3	55.7	0	0	0	0	118.6
194	G	24.4	Very low	27.7	Very low	82 Å²	82	135 Å²	135	85%	0.845	77%	0.766	S	S	*	*			trans	171.3	86.4	167.7	0	0	0	0	0	114.1
195	T	25.1	Very low	27	Very low	139 Å²	139	136 Å²	136	85%	0.853	78%	0.783	S	S	*	*			trans	-91.6	141.9	161.6	51.1	0	0	0	0	108.9
196	P	32.7	Very low	26.7	Very low	129 Å²	129	138.1 Å²	138.1	84%	0.838	80%	0.797	S	S	*	*				-143.6	-177.6	90.6	39.3	-24	0	0	0	115.1
197	S	25	Very low	26.6	Very low	104 Å²	104	140.5 Å²	140.5	73%	0.727	80%	0.802	S	S	*	*			trans	-73	147	174.3	168.5	0	0	0	0	112.6
198	E	24.4	Very low	26.6	Very low	184 Å²	184	134.3 Å²	134.3	86%	0.86	80%	0.795	S	S	*	*				-178.7	157.9	114.7	-98.6	172.1	-169.9	0	0	115
199	R	25	Very low	26.8	Very low	234 Å²	234	134.5 Å²	134.5	88%	0.883	79%	0.794	S	S	*	*			trans	-105.8	158.4	158.3	-72.1	-179.5	174.8	-177.9	-1.7	105.8
200	P	31.6	Very low	26.7	Very low	108 Å²	108	131.4 Å²	131.4	70%	0.701	79%	0.788	S	S	*	*			cis	-158.8	-171.6	42.5	44	-20.9	0	0	0	118.6
201	I	22.3	Very low	26.6	Very low	148 Å²	148	128 Å²	128	76%	0.759	78%	0.776	S	S	*	*			trans	56.9	94.3	140.8	-71	160.4	0	0	0	119.8
202	S	23.5	Very low	26.9	Very low	93 Å²	93	130.8 Å²	130.8	65%	0.65	77%	0.773	S	S	*	*				57.1	159.2	118.4	81.6	0	0	0	0	125.5
203	Q	25.7	Very low	27.3	Very low	174 Å²	174	135.4 Å²	135.4	81%	0.813	78%	0.777	S	S	*	*			trans	110.2	128	140.8	-86	-172.3	1	0	0	121.6
204	V	23.1	Very low	27.4	Very low	112 Å²	112	134.7 Å²	134.7	68%	0.679	76%	0.761	S	S	*	*			trans	71.3	111.3	143.8	171.6	0	0	0	0	117.3
205	S	26	Very low	27.8	Very low	105 Å²	105	137.8 Å²	137.8	73%	0.734	76%	0.758	S	S	*	*				78.3	150.8	63	-54.6	0	0	0	0	113
206	T	28.5	Very low	28.3	Very low	123 Å²	123	139.5 Å²	139.5	76%	0.755	76%	0.756	S	S	*	*			cis	-161.7	-175.9	16.2	-16.2	0	0	0	0	111.8
207	L	25.5	Very low	28.2	Very low	166 Å²	166	136.8 Å²	136.8	87%	0.869	75%	0.752	S	S	*	*			trans	91.3	137.5	170.2	-60	161.5	0	0	0	115.5
208	S	25.9	Very low	28.3	Very low	106 Å²	106	138.5 Å²	138.5	74%	0.741	75%	0.753	S	S	*	*			cis	-138.9	161.5	5.6	-174.9	0	0	0	0	113.1
209	Q	31.1	Very low	28.6	Very low	168 Å²	168	135.4 Å²	135.4	79%	0.785	75%	0.747	S	S	*	*			trans	-72.6	174	173.5	-60.6	158	-56.1	0	0	111.1
210	V	26.8	Very low	28.8	Very low	124 Å²	124	129.4 Å²	129.4	75%	0.752	74%	0.741	S	S	*	*			cis	-149.1	178.9	28.2	-127.4	0	0	0	0	109.2
211	S	28.8	Very low	28.6	Very low	91 Å²	91	128.5 Å²	128.5	64%	0.636	74%	0.742	S	S	*	*			cis	-163.3	149.1	8.4	40.6	0	0	0	0	111.4
212	D	32	Very low	28.9	Very low	136 Å²	136	126.3 Å²	126.3	73%	0.727	74%	0.74	S	S	*	*				42.1	141.7	123.5	-38.3	-23.8	0	0	0	120
213	E	36.8	Very low	29.1	Very low	162 Å²	162	129 Å²	129	76%	0.757	75%	0.748	S	S	*	*			cis	-164.5	164.9	3.5	-116.1	174.5	-165.4	0	0	105.3
214	F	30.5	Very low	29.4	Very low	141 Å²	141	129.8 Å²	129.8	62%	0.618	75%	0.751	S	S	*	*			cis	-149.9	159	1.9	-122.8	-77.9	0	0	0	103.5
215	D	34.2	Very low	29.7	Very low	147 Å²	147	134.1 Å²	134.1	79%	0.786	76%	0.764	S	S	*	*			cis	67	148.3	32.3	-70.3	-61.7	0	0	0	114.8
216	E	34	Very low	29.7	Very low	174 Å²	174	134 Å²	134	81%	0.813	76%	0.763	S	S	*	*			cis	-116.6	174	2.7	-62.5	-179.2	160	0	0	109.7
217	G	30.8	Very low	29.7	Very low	73 Å²	73	136.1 Å²	136.1	75%	0.753	77%	0.767	S	S	*	*			cis	111.9	157.2	23.2	0	0	0	0	0	110.6
218	D	28.6	Very low	29.8	Very low	140 Å²	140	134.8 Å²	134.8	75%	0.749	76%	0.76	S	S	*	*			cis	-166	163.8	-17.6	-169.5	13.7	0	0	0	109.5
219	T	31.1	Very low	29.9	Very low	118 Å²	118	133.8 Å²	133.8	72%	0.724	75%	0.753	S	S	*	*			trans	62.9	162.8	166.5	70.4	0	0	0	0	118.7
220	S	29	Very low	29.8	Very low	109 Å²	109	134.1 Å²	134.1	76%	0.762	76%	0.755	S	S	*	*			cis	-154.6	152.9	-6.9	34	0	0	0	0	112.8
221	A	27.8	Very low	29.9	Very low	88 Å²	88	137.4 Å²	137.4	73%	0.727	76%	0.759	S	S	*	*			trans	11.4	157.2	144.9	0	0	0	0	0	124.8
222	S	27.2	Very low	29.8	Very low	102 Å²	102	141 Å²	141	71%	0.713	77%	0.765	S	S	*	*			trans	71.8	152	158.2	-70.2	0	0	0	0	117.6
223	D	27.6	Very low	29.5	Very low	151 Å²	151	140 Å²	140	81%	0.807	76%	0.76	S	S	*	*			cis	-149.4	176.9	-5.1	-104	-35.3	0	0	0	109.6
224	E	33	Very low	29.1	Very low	189 Å²	189	141.7 Å²	141.7	88%	0.883	76%	0.759	S	S	*	*			trans	-78.1	141.8	168.1	-61.2	-170.4	170.2	0	0	112.1
225	E	29.4	Very low	29	Very low	204 Å²	204	143.7 Å²	143.7	95%	0.953	76%	0.762	S	S	*	*			trans	-166.3	-169.2	131.1	-121.8	-171.7	-175.4	0	0	113.7
226	S	26.5	Very low	28.6	Very low	102 Å²	102	143.7 Å²	143.7	71%	0.713	76%	0.757	S	S	*	*			trans	-130.1	170.1	-156.2	-168.9	0	0	0	0	115.1
227	M	28.1	Very low	28.4	Very low	168 Å²	168	143.4 Å²	143.4	83%	0.828	75%	0.749	S	S	*	*			trans	74.7	108	157.6	-84	-164.8	170.7	0	0	122.7
228	N	27.5	Very low	28.3	Very low	137 Å²	137	145.8 Å²	145.8	73%	0.733	74%	0.74	S	S	*	*				91.9	134.8	108.1	-149.2	21	0	0	0	122.7
229	S	27	Very low	28.3	Very low	86 Å²	86	144.9 Å²	144.9	60%	0.601	73%	0.731	S	S	*	*			trans	62.6	115.1	148.7	57.6	0	0	0	0	123.5
230	E	29.3	Very low	28.3	Very low	175 Å²	175	145.6 Å²	145.6	82%	0.818	73%	0.731	S	S	*	*			trans	38.1	124.9	135.8	-55.1	-169.7	110.4	0	0	122.9
231	K	28.8	Very low	28.1	Very low	192 Å²	192	147.5 Å²	147.5	84%	0.835	73%	0.733	S	S	*	*				-175.9	119.9	103.8	-98.8	155.9	-172.5	163.6	0	116.6
232	H	26.2	Very low	28.1	Very low	166 Å²	166	151.4 Å²	151.4	77%	0.769	73%	0.733	S	S	*	*				49	125.6	117.8	-118.6	20.9	0	0	0	123.3
233	L	26.8	Very low	28.2	Very low	116 Å²	116	152.6 Å²	152.6	61%	0.607	73%	0.732	S	S	*	*			trans	101.6	125.8	133.6	-70.6	163.5	0	0	0	123.3
234	R	27.8	Very low	28.2	Very low	198 Å²	198	153.9 Å²	153.9	75%	0.747	73%	0.733	S	S	*	*			trans	80	154.6	140.2	-75.4	171.3	175.5	176.8	-0.9	117.2
235	R	27.8	Very low	28.1	Very low	183 Å²	183	152.3 Å²	152.3	69%	0.691	73%	0.73	S	S	*	*			cis	-159.7	172	17.5	-146.7	169.5	-169.2	165.8	-0.6	115.4
236	H	26.2	Very low	28.6	Very low	147 Å²	147	147.7 Å²	147.7	68%	0.681	72%	0.717	S	S	*	*			trans	89.9	123.2	167.7	-62.3	-80.1	0	0	0	116.6
237	R	29.7	Very low	28.5	Very low	168 Å²	168	150.6 Å²	150.6	63%	0.634	72%	0.724	S	S	*	*			cis	91.4	146.8	39.8	-81.4	-174.9	142.1	-169.5	-4.6	112.7	E239	R237-E239 IonicContact CZ-OE1 2.8Å; R237-E239 IonicContact NE-OE1 3.9Å; R237-E239 PolarHBondContact NE-OE1 2.75Å; R237-E239 VanDerWaalsContact NE-OE1 3.12Å; R237-E239 IonicContact NH2-OE1 3.12Å; R237-E239 PolarHBondContact NH2-OE1 3.39Å; R237-E239 IonicContact NH2-OE2 3.71Å
238	H	28.9	Very low	29	Very low	123 Å²	123	147.2 Å²	147.2	57%	0.569	72%	0.715	S	S	*	*			cis	-130.3	142.8	10.8	-102.7	-72.4	0	0	0	109.8
239	E	29.4	Very low	28.8	Very low	120 Å²	120	149.3 Å²	149.3	56%	0.561	72%	0.717	S	S	*	*				62.6	128.8	88.1	-63.9	174.6	-151.6	0	0	113.9	R237	R237-E239 IonicContact CZ-OE1 2.8Å; R237-E239 IonicContact NE-OE1 3.9Å; R237-E239 PolarHBondContact NE-OE1 2.75Å; R237-E239 VanDerWaalsContact NE-OE1 3.12Å; R237-E239 IonicContact NH2-OE1 3.12Å; R237-E239 PolarHBondContact NH2-OE1 3.39Å; R237-E239 IonicContact NH2-OE2 3.71Å
240	D	29.9	Very low	28.7	Very low	133 Å²	133	151.3 Å²	151.3	71%	0.711	72%	0.721	S	S	*	*			cis	-133.9	-120.8	-4.3	-131.7	-42.9	0	0	0	114.9
241	D	26.5	Very low	28.4	Very low	150 Å²	150	148.6 Å²	148.6	80%	0.802	71%	0.709	S	S	*	*			cis	-158.2	177.4	10.3	-156.9	-8.6	0	0	0	111.5
242	F	27.5	Very low	28.3	Very low	169 Å²	169	150.9 Å²	150.9	74%	0.741	71%	0.712	S	S	*	*			trans	-90	176.6	-165.9	-89.6	-137.7	0	0	0	114.4
243	D	28.6	Very low	28.3	Very low	127 Å²	127	150.2 Å²	150.2	68%	0.679	71%	0.707	S	S	*	*			cis	-156.8	166.6	22.4	-139.2	-25.5	0	0	0	117
244	E	27.2	Very low	28.2	Very low	178 Å²	178	150.3 Å²	150.3	83%	0.832	71%	0.713	S	S	*	*			trans	23	151.6	159.5	-90.8	-175.6	161.7	0	0	128.4
245	L	31.8	Very low	27.9	Very low	157 Å²	157	146.3 Å²	146.3	82%	0.822	71%	0.71	S	S	*	*			trans	-97.8	172.6	164.9	-72.6	168.2	0	0	0	109
246	P	38.7	Very low	27.7	Very low	106 Å²	106	143.6 Å²	143.6	69%	0.688	71%	0.714	S	S	*	*			cis	-163.5	152	41.9	41.8	-16.9	0	0	0	122.3
247	L	25	Very low	27.7	Very low	163 Å²	163	142.9 Å²	142.9	85%	0.853	72%	0.72	S	S	*	*			trans	62.6	173.5	138.6	-64.6	176.6	0	0	0	120.8
248	P	38.5	Very low	27.4	Very low	98 Å²	98	139 Å²	139	64%	0.636	72%	0.724	S	S	*	*			cis	-141.6	-177.5	-49.4	42.4	-26.5	0	0	0	116.8
249	K	23.4	Very low	27.2	Very low	181 Å²	181	137.2 Å²	137.2	79%	0.787	73%	0.73	S	S	*	*			trans	82.8	128.1	153.5	-69.1	173.6	-176.8	173.8	0	122.4
250	N	24.5	Very low	27.2	Very low	128 Å²	128	137.9 Å²	137.9	68%	0.684	74%	0.742	S	S	*	*			trans	63	156.6	137.9	-66.3	37.3	0	0	0	119.2
251	E	24.4	Very low	26.8	Very low	118 Å²	118	139.9 Å²	139.9	55%	0.551	75%	0.747	S	S	*	*			cis	-162.1	148.9	-2.6	-130.5	174.7	-109.3	0	0	113.2	K253	E251-K253 WeakPolarHBondContact OE2-CE 3.28Å; E251-K253 IonicContact OE2-NZ 2.69Å; E251-K253 PolarHBondContact OE2-NZ 3.05Å
252	R	25.8	Very low	26.6	Very low	240 Å²	240	137 Å²	137	91%	0.906	74%	0.739	S	S	*	*			trans	176.1	129.6	141.5	-97.5	159.5	-175.5	-168.4	1.1	108.3
253	K	26.7	Very low	26.5	Very low	151 Å²	151	138.1 Å²	138.1	66%	0.657	75%	0.747	S	S	*	*			cis	72.5	129	44.4	-64.8	174.7	169.6	163.8	0	111.8	E251	E251-K253 WeakPolarHBondContact OE2-CE 3.28Å; E251-K253 IonicContact OE2-NZ 2.69Å; E251-K253 PolarHBondContact OE2-NZ 3.05Å
254	T	23.8	Very low	26.4	Very low	119 Å²	119	139.8 Å²	139.8	73%	0.73	75%	0.754	S	S	*	*			cis	-161.3	149.2	18.7	-7.8	0	0	0	0	114.3
255	T	22.8	Very low	26.3	Very low	113 Å²	113	139.5 Å²	139.5	69%	0.693	76%	0.755	S	S	*	*			trans	26.6	138.6	145.1	53.2	0	0	0	0	121.9
256	T	23.4	Very low	26	Very low	126 Å²	126	139 Å²	139	77%	0.773	75%	0.753	S	S	*	*				-156.8	141.2	72.1	26.9	0	0	0	0	113.3
257	V	24.5	Very low	25.4	Very low	133 Å²	133	142.4 Å²	142.4	81%	0.806	76%	0.759	S	S	*	*				65.7	133	84.9	175.8	0	0	0	0	114.7
258	A	24.3	Very low	25.3	Very low	86 Å²	86	144 Å²	144	71%	0.711	77%	0.765	S	S	*	*			cis	-171.4	179.6	-19.7	0	0	0	0	0	111.8
259	A	25.5	Very low	24.8	Very low	86 Å²	86	147.3 Å²	147.3	71%	0.711	77%	0.772	S	S	*	*			trans	57.5	105.4	146.3	0	0	0	0	0	123
260	T	27.5	Very low	25	Very low	133 Å²	133	145.9 Å²	145.9	82%	0.816	77%	0.768	S	S	*	*				16.7	133.9	125.9	56.1	0	0	0	0	123.5
261	H	22.1	Very low	24.9	Very low	175 Å²	175	146.1 Å²	146.1	81%	0.81	77%	0.768	S	S	*	*			trans	85.1	134.5	135.6	-151	-102.3	0	0	0	120.3
262	S	22.8	Very low	24.9	Very low	91 Å²	91	149.5 Å²	149.5	64%	0.636	78%	0.781	S	S	*	*			trans	44.8	105.1	162.9	-70.6	0	0	0	0	120.6
263	E	24.8	Very low	24.9	Very low	192 Å²	192	143.5 Å²	143.5	90%	0.897	77%	0.771	S	S	*	*			trans	-158.1	163.2	130.8	-112.8	157.3	-150.5	0	0	110.1
264	I	26.9	Very low	24.8	Very low	162 Å²	162	147.9 Å²	147.9	83%	0.831	78%	0.784	S	S	*	*			trans	72.2	52	-165.1	-41.2	174.5	0	0	0	113.8
265	M	24.9	Very low	24.8	Very low	172 Å²	172	145.7 Å²	145.7	85%	0.847	78%	0.784	S	S	*	*	S	Bend	trans	-127	137.8	131.8	-85.9	-72.1	-82.2	0	0	106.1
266	N	25.2	Very low	24.9	Very low	146 Å²	146	143.7 Å²	143.7	78%	0.781	79%	0.786	S	S	*	*			trans	67.7	146.4	-160.1	-49.3	-10.6	0	0	0	112.4
267	E	26.1	Very low	25.1	Very low	178 Å²	178	147 Å²	147	83%	0.832	79%	0.79	S	S	*	*			cis	-119.5	143.7	2.2	-66.4	-176	133.8	0	0	112.6
268	M	23.6	Very low	25.3	Very low	197 Å²	197	149.9 Å²	149.9	97%	0.97	79%	0.791	S	S	*	*				-156.9	88.9	118.5	-130.4	-177.8	-175.4	0	0	110.1
269	E	27.7	Very low	25.5	Very low	166 Å²	166	151.2 Å²	151.2	78%	0.776	79%	0.787	S	S	*	*			trans	-100	176.7	159.8	-170	160.5	-149.1	0	0	108.7
270	H	27.5	Very low	25.7	Very low	152 Å²	152	154.1 Å²	154.1	70%	0.704	79%	0.79	S	S	*	*			trans	76.4	137.4	-179.5	-58.5	-66.2	0	0	0	116.3
271	L	23.5	Very low	25.7	Very low	133 Å²	133	151.1 Å²	151.1	70%	0.696	79%	0.786	S	S	*	*			cis	-157.1	125.3	-8.3	-100.3	165.8	0	0	0	111.9
272	F	23.3	Very low	26	Very low	189 Å²	189	148.6 Å²	148.6	83%	0.829	78%	0.782	S	S	*	*			trans	61.8	158.6	131.8	-86.6	-118	0	0	0	125.8
273	V	25.8	Very low	26.4	Very low	114 Å²	114	151.1 Å²	151.1	69%	0.691	78%	0.784	S	S	*	*			trans	73.8	119	166.8	-167	0	0	0	0	115.5
274	R	24.8	Very low	26.6	Very low	243 Å²	243	149.3 Å²	149.3	92%	0.917	77%	0.773	S	S	*	*			cis	-142.2	171.6	32.5	-115.4	135.9	-172.6	146.5	-1.5	110.7
275	G	23.2	Very low	26.7	Very low	72 Å²	72	148 Å²	148	74%	0.742	76%	0.763	S	S	*	*			cis	178.6	-18.1	-2.1	0	0	0	0	0	118.2
276	G	25.7	Very low	26.8	Very low	71 Å²	71	148.1 Å²	148.1	73%	0.732	76%	0.762	S	S	*	*			trans	150	177.1	177.9	0	0	0	0	0	114.8
277	K	28.6	Very low	26.9	Very low	196 Å²	196	151 Å²	151	85%	0.852	76%	0.762	S	S	*	*			cis	-163.9	162.9	-7.4	-94.6	155.2	-177.5	176.1	0	105.1
278	K	28.3	Very low	26.8	Very low	193 Å²	193	154 Å²	154	84%	0.839	77%	0.766	S	S	*	*			cis	-154.4	176	31.6	-71	-176	176.9	175.8	0	108.6
279	N	28.7	Very low	26.9	Very low	115 Å²	115	151.2 Å²	151.2	62%	0.615	75%	0.75	S	S	*	*			cis	-167.8	155.1	-26.4	-104.3	58.1	0	0	0	109.5
280	N	28.1	Very low	27	Very low	147 Å²	147	148.3 Å²	148.3	79%	0.786	75%	0.748	S	S	*	*			trans	67.9	130.4	143.6	-64.1	14.8	0	0	0	124.7
281	G	27.4	Very low	26.8	Very low	70 Å²	70	147.5 Å²	147.5	72%	0.722	75%	0.749	S	S	*	*			trans	140.5	63	155.7	0	0	0	0	0	115.6
282	V	28.7	Very low	27	Very low	121 Å²	121	147.8 Å²	147.8	73%	0.733	75%	0.75	S	S	*	*				66.2	123.8	75.1	179	0	0	0	0	111.7
283	H	31.6	Very low	27.1	Very low	145 Å²	145	145.1 Å²	145.1	67%	0.671	74%	0.744	S	S	*	*			cis	-162.6	155.9	29.5	-137.3	4.3	0	0	0	114.6
284	K	28.4	Very low	27	Very low	153 Å²	153	148.2 Å²	148.2	67%	0.665	75%	0.751	S	S	*	*			trans	54.1	152.9	136.3	-86.5	-179.2	176.1	176.6	0	122.9
285	Q	30.4	Very low	27.1	Very low	135 Å²	135	143.7 Å²	143.7	63%	0.631	74%	0.744	S	S	*	*			cis	-167.3	163.5	-11.4	-153.9	167.8	-24.6	0	0	113.1
286	Q	27	Very low	27.8	Very low	175 Å²	175	145.4 Å²	145.4	82%	0.818	74%	0.741	S	S	*	*			trans	86.6	171.8	147.8	-106.1	163.9	-4.5	0	0	123.1
287	R	25.7	Very low	27.8	Very low	206 Å²	206	146.7 Å²	146.7	78%	0.777	74%	0.74	S	S	*	*			trans	-164.3	135.3	-145.1	163.1	-170.7	167.6	-171	-1.2	114.8	Q289	R287-Q289 VanDerWaalsContact NE-OE1 3.09Å
288	R	25.1	Very low	27.8	Very low	242 Å²	242	144.1 Å²	144.1	91%	0.913	74%	0.735	S	S	*	*			trans	-177.2	148.9	152	-117.5	179.7	175.9	166.2	-0.7	110.4
289	Q	25.6	Very low	27.7	Very low	138 Å²	138	141.1 Å²	141.1	65%	0.645	73%	0.732	S	S	*	*			cis	112	65.2	-11.2	-154.9	-173.5	-25.2	0	0	119.4	R287	R287-Q289 VanDerWaalsContact NE-OE1 3.09Å
290	S	29.2	Very low	27.7	Very low	105 Å²	105	138.7 Å²	138.7	73%	0.734	74%	0.735	S	S	*	*			trans	176	159	160.3	52.5	0	0	0	0	110.9
291	N	23.9	Very low	27.7	Very low	135 Å²	135	141.2 Å²	141.2	72%	0.722	74%	0.739	S	S	*	*			cis	-160.9	148.7	-19.7	-96.7	13.5	0	0	0	106
292	I	26.6	Very low	27.7	Very low	138 Å²	138	144.6 Å²	144.6	71%	0.708	74%	0.739	S	S	*	*				87.2	151.3	55.5	-85.9	172.5	0	0	0	113.9
293	D	26.1	Very low	27.7	Very low	134 Å²	134	149.1 Å²	149.1	72%	0.717	74%	0.743	S	S	*	*			trans	83.4	139.3	179.1	-51.7	-32.1	0	0	0	118.3
294	E	24.6	Very low	27.5	Very low	178 Å²	178	147.7 Å²	147.7	83%	0.832	74%	0.741	S	S	*	*			cis	-158.5	-166.7	-28.5	-134.9	-179.4	-175.3	0	0	113
295	I	26.8	Very low	27.4	Very low	149 Å²	149	146.8 Å²	146.8	76%	0.764	74%	0.743	S	S	*	*			trans	-119.3	147	-164.3	-67.8	164.3	0	0	0	108
296	P	36.3	Very low	27.3	Very low	107 Å²	107	152.2 Å²	152.2	70%	0.695	76%	0.758	S	S	*	*				-166.6	166.2	79.5	44.8	-21.4	0	0	0	122.9
297	S	26.8	Very low	27.4	Very low	99 Å²	99	154 Å²	154	69%	0.692	76%	0.763	S	S	*	*			trans	68.8	153.2	138.8	70.3	0	0	0	0	120.5
298	D	28.1	Very low	27.4	Very low	141 Å²	141	148.2 Å²	148.2	75%	0.754	77%	0.767	S	S	*	*			cis	-154.4	178.7	-3	-138.4	-30.5	0	0	0	114.5
299	V	27.5	Very low	27.5	Very low	130 Å²	130	148.1 Å²	148.1	79%	0.788	77%	0.767	S	S	*	*			trans	-5.4	145.4	168.9	-77.1	0	0	0	0	121.4
300	G	27.1	Very low	27.5	Very low	64 Å²	64	150.7 Å²	150.7	66%	0.66	78%	0.778	S	S	*	*			cis	148.4	-173.7	-2.2	0	0	0	0	0	114.8
301	K	29.3	Very low	27.3	Very low	200 Å²	200	153.2 Å²	153.2	87%	0.87	78%	0.784	S	S	*	*			trans	81.5	140.2	-179.8	-53.1	172.6	-175.6	172.5	0	116.2
302	L	27.9	Very low	27.3	Very low	141 Å²	141	151.8 Å²	151.8	74%	0.738	78%	0.784	S	S	*	*			cis	-165.3	135.4	-15.3	-113.4	166.8	0	0	0	109.6
303	R	27.2	Very low	27.2	Very low	216 Å²	216	152.2 Å²	152.2	82%	0.815	79%	0.787	S	S	*	*			trans	68.8	142.4	137.4	-153.2	156	-172	-166.6	-0.7	119.4
304	D	28.7	Very low	27	Very low	115 Å²	115	155.1 Å²	155.1	62%	0.615	79%	0.793	S	S	*	*			cis	-145.2	176.5	-6.1	-137	-39.2	0	0	0	112.1
305	N	25.8	Very low	27	Very low	134 Å²	134	153 Å²	153	72%	0.717	79%	0.793	S	S	*	*			trans	-90	157.1	178.5	-70.5	-98.1	0	0	0	113.9
306	R	28.2	Very low	26.7	Very low	250 Å²	250	151.1 Å²	151.1	94%	0.943	79%	0.793	S	S	*	*				-178.5	168.5	107	-97.4	169.8	-171.2	-156.1	1.6	116.5
307	K	28.4	Very low	26.9	Very low	213 Å²	213	151.6 Å²	151.6	93%	0.926	80%	0.795	S	S	*	*			trans	-92.9	159.3	-174	-51.8	166	-178.7	174.9	0	111.6
308	G	25.6	Very low	26.7	Very low	83 Å²	83	153.6 Å²	153.6	86%	0.856	80%	0.804	S	S	*	*			trans	-173.3	114.3	162.9	0	0	0	0	0	115.3
309	R	27.7	Very low	26.6	Very low	241 Å²	241	152.6 Å²	152.6	91%	0.909	81%	0.808	S	S	*	*			trans	-94.5	147.4	157.1	-90.4	-178.5	168.7	175.6	-2.8	107.9
310	H	25.9	Very low	26.3	Very low	191 Å²	191	149.9 Å²	149.9	88%	0.884	81%	0.806	S	S	*	*			trans	-157	144	146.4	-108	-78	0	0	0	112
311	N	24.2	Very low	26.1	Very low	159 Å²	159	155.5 Å²	155.5	85%	0.85	82%	0.817	S	S	*	*			trans	-96.4	146.6	157	-77.4	-15.6	0	0	0	108.3
312	S	24	Very low	25.9	Very low	105 Å²	105	151 Å²	151	73%	0.734	81%	0.811	S	S	*	*			trans	-174.4	123.5	141.2	-165.1	0	0	0	0	113.8
313	L	24.4	Very low	25.7	Very low	146 Å²	146	150.3 Å²	150.3	76%	0.764	82%	0.818	S	S	*	*			trans	35.4	133.5	140	-51.3	172.8	0	0	0	123.6
314	F	22.3	Very low	25.6	Very low	195 Å²	195	145.8 Å²	145.8	86%	0.855	82%	0.82	S	S	*	*			trans	36.6	128.1	137.2	-76.4	-97.3	0	0	0	122.3
315	V	24.1	Very low	25.5	Very low	135 Å²	135	146.1 Å²	146.1	82%	0.818	83%	0.831	S	S	*	*				-171	159.4	116.6	139.5	0	0	0	0	110.7
316	S	20.6	Very low	25.7	Very low	109 Å²	109	145.7 Å²	145.7	76%	0.762	83%	0.834	S	S	*	*			trans	-150.3	165.9	168.7	-54.9	0	0	0	0	108.4
317	P	41.8	Very low	25.7	Very low	116 Å²	116	141.9 Å²	141.9	75%	0.753	83%	0.832	S	S	*	*			cis	-126.3	178.5	-11.5	41.3	-27.8	0	0	0	112.9
318	T	22.8	Very low	25.5	Very low	142 Å²	142	139 Å²	139	87%	0.871	83%	0.827	S	S	*	*			trans	-171.1	164.1	137.2	11.2	0	0	0	0	113.3
319	S	24.6	Very low	25.5	Very low	120 Å²	120	144.4 Å²	144.4	84%	0.839	83%	0.827	S	S	*	*			trans	-54.9	152.6	-177.8	48.7	0	0	0	0	118
320	G	22.2	Very low	25.5	Very low	73 Å²	73	138.2 Å²	138.2	75%	0.753	82%	0.821	S	S	*	*			trans	159.9	57.2	156.9	0	0	0	0	0	121.5
321	M	23.3	Very low	25.6	Very low	181 Å²	181	139.8 Å²	139.8	89%	0.892	82%	0.819	S	S	*	*			trans	53.9	145.2	151.9	-59.6	-177.4	72	0	0	123.5
322	S	23.5	Very low	25.8	Very low	106 Å²	106	139.8 Å²	139.8	74%	0.741	82%	0.817	S	S	*	*			trans	48.2	101.6	150.2	58.8	0	0	0	0	121.3
323	S	24.1	Very low	25.9	Very low	126 Å²	126	140.7 Å²	140.7	88%	0.881	82%	0.819	S	S	*	*				171	143.8	101	48	0	0	0	0	111.4
324	S	25.8	Very low	25.9	Very low	122 Å²	122	138.9 Å²	138.9	85%	0.853	82%	0.818	S	S	*	*			trans	-100.7	117.2	-178.9	55.7	0	0	0	0	111.3
325	S	25.8	Very low	26.1	Very low	122 Å²	122	137.7 Å²	137.7	85%	0.853	82%	0.817	S	S	*	*			trans	-115.1	135.5	164.1	-171.2	0	0	0	0	109.3
326	T	30.3	Very low	26.1	Very low	125 Å²	125	137.6 Å²	137.6	77%	0.767	82%	0.817	S	S	*	*			trans	-100.4	116.6	-174.9	47.5	0	0	0	0	111.2
327	D	28.4	Very low	26.4	Very low	170 Å²	170	137.6 Å²	137.6	91%	0.909	82%	0.817	S	S	*	*			trans	-169.8	85	157.9	-107.1	-27.9	0	0	0	112.4
328	D	25.3	Very low	25.6	Very low	153 Å²	153	137.7 Å²	137.7	82%	0.818	81%	0.811	S	S	*	*			trans	-160.5	37	166.3	-146.8	0.3	0	0	0	114.5
329	F	24.4	Very low	26	Very low	195 Å²	195	137 Å²	137	86%	0.855	79%	0.793	S	S	*	*			trans	-107.2	-4.2	-174.3	-115.2	-79.9	0	0	0	115.7	R331	F329-R331 PolarHBondContact O-N 2.85Å
330	S	26.9	Very low	26.3	Very low	111 Å²	111	134.4 Å²	134.4	78%	0.776	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	16	-162.8	54.9	0	0	0	0	116.7
331	R	28.3	Very low	26.5	Very low	224 Å²	224	134.3 Å²	134.3	85%	0.845	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134	3.4	-168.9	-66.1	-166.4	-177.6	-158.3	2.3	118.7	F329	F329-R331 PolarHBondContact O-N 2.85Å
332	I	29	Very low	26.8	Very low	159 Å²	159	131.1 Å²	131.1	82%	0.815	75%	0.748	S	S	*	*			trans	-132.5	64.6	-171.9	-40.4	-177.5	0	0	0	114
333	T	27	Very low	27.5	Very low	125 Å²	125	132.4 Å²	132.4	77%	0.767	75%	0.746	S	S	*	*			trans	-133.7	71.2	170.5	39.4	0	0	0	0	112
334	S	22.9	Very low	27.9	Very low	108 Å²	108	129.7 Å²	129.7	76%	0.755	72%	0.724	S	S	*	*			trans	-145.5	146.3	169.6	-171.1	0	0	0	0	111.9
335	M	26.8	Very low	28.1	Very low	169 Å²	169	127.5 Å²	127.5	83%	0.833	71%	0.709	S	S	*	*	S	Bend	trans	80.1	45.9	170.3	-55.5	-105.1	70.8	0	0	120.1
336	T	25.2	Very low	28.4	Very low	133 Å²	133	130.5 Å²	130.5	82%	0.816	71%	0.709	S	S	*	*			trans	-142.6	61.5	162.8	42.2	0	0	0	0	115.5	D338	T336-D338 PolarHBondContact O-N 3.33Å
337	S	25.5	Very low	28.4	Very low	110 Å²	110	130 Å²	130	77%	0.769	71%	0.711	S	S	*	*			trans	-78	107.9	161.9	59.7	0	0	0	0	110.8
338	D	25.1	Very low	28.6	Very low	118 Å²	118	126.1 Å²	126.1	63%	0.631	71%	0.71	S	S	*	*				174.9	132.4	125.5	-98.8	-17.1	0	0	0	114.3	T336 R645	T336-D338 PolarHBondContact O-N 3.33Å; D338-R645 PolarHBondContact O-NH1 2.7Å; D338-R645 PolarHBondContact O-NH2 2.83Å
339	R	32.1	Very low	28.7	Very low	127 Å²	127	122.7 Å²	122.7	48%	0.479	71%	0.711	S	S	.	*	S	Bend	trans	66.8	111.6	166.4	-36.8	-157.3	85.7	171	15	119.3	K516 E596	R339-K516 VanDerWaalsContact CZ-O 3.28Å; R339-K516 PolarHBondContact NH1-O 3.12Å; R339-K516 PolarHBondContact NH2-O 2.87Å; R339-E596 WeakPolarHBondContact CD-OE1 3.48Å; R339-E596 IonicContact CZ-OE1 3.32Å; R339-E596 IonicContact NE-OE1 3.16Å; R339-E596 IonicContact NH1-OE1 3.92Å; R339-E596 PolarHBondContact NH1-OE1 3.22Å
340	S	30.5	Very low	29.1	Very low	65 Å²	65	122.8 Å²	122.8	46%	0.455	71%	0.714	S	S	.	*	S	Bend	trans	56.4	55.3	155.7	52.9	0	0	0	0	117.1	N593	S340-N593 VanDerWaalsContact OG-CB 3.24Å; S340-N593 WeakPolarHBondContact OG-CB 3.46Å; S340-N593 PolarHBondContact OG-ND2 2.67Å; S340-N593 VanDerWaalsContact OG-ND2 3.12Å
341	S	25.5	Very low	29.2	Very low	72 Å²	72	123.2 Å²	123.2	50%	0.503	71%	0.708	S	S	.	*			trans	-142.4	142.1	139.9	37.4	0	0	0	0	109.6	Q591	S341-Q591 WeakPolarHBondContact CB-O 3.35Å; S341-Q591 PolarHBondContact OG-O 2.88Å
342	I	31	Very low	29.5	Very low	114 Å²	114	115 Å²	115	59%	0.585	69%	0.685	S	S	*	*			trans	-111.4	129.1	174.3	-64	177.2	0	0	0	106.3
343	L	37.8	Very low	29.6	Very low	132 Å²	132	112 Å²	112	69%	0.691	67%	0.674	S	S	*	*			trans	-92.7	130.2	-178.1	-81.4	167.3	0	0	0	111
344	T	33.1	Very low	29.8	Very low	69 Å²	69	113.3 Å²	113.3	42%	0.423	68%	0.676	S	S	.	*			trans	-65.7	140	137.1	49.3	0	0	0	0	107.9	K375	T344-K375 HydrophobicContact CG2-CG 3.96Å
345	S	30	Very low	30.3	Very low	77 Å²	77	112.6 Å²	112.6	54%	0.538	69%	0.686	S	S	.	*			cis	-164.9	152	10.6	42	0	0	0	0	110.2
346	H	31	Very low	30.9	Very low	185 Å²	185	107.5 Å²	107.5	86%	0.856	67%	0.671	S	S	*	*			trans	-146.4	148.1	154.6	-89.6	-74.4	0	0	0	109
347	S	30.9	Very low	31.8	Very low	115 Å²	115	104.8 Å²	104.8	80%	0.804	66%	0.657	S	S	*	*			trans	-113.6	149	177.1	40	0	0	0	0	110.4
348	G	32	Very low	33.2	Very low	87 Å²	87	104.4 Å²	104.4	90%	0.897	65%	0.652	S	S	*	*	S	Bend	trans	82.2	103.3	175.1	0	0	0	0	0	115.2
349	G	26.7	Very low	35.2	Very low	81 Å²	81	100.6 Å²	100.6	84%	0.835	63%	0.633	S	S	*	*			trans	135.9	110.4	174.2	0	0	0	0	0	112
350	E	33.9	Very low	37.1	Very low	198 Å²	198	96.9 Å²	96.9	93%	0.925	63%	0.625	S	S	*	*			trans	-88	165	-164.2	-65.8	176.7	117.2	0	0	115.7
351	D	28.2	Very low	39	Very low	119 Å²	119	99.3 Å²	99.3	64%	0.636	63%	0.633	S	S	*	*			trans	74.9	165.1	159.6	-158.5	38.3	0	0	0	120.1	K1010	D351-K1010 VanDerWaalsContact C-NZ 3.26Å; D351-K1010 PolarHBondContact O-NZ 2.72Å
352	S	35.1	Very low	41.4	Very low	52 Å²	52	96 Å²	96	36%	0.364	61%	0.61	S	S	.	*				-123.7	175.3	-117.2	-56.1	0	0	0	0	114.2	K1010	S352-K1010 WeakPolarHBondContact O-CE 3.43Å; S352-K1010 PolarHBondContact O-NZ 3.29Å
353	T	31	Very low	43.4	Very low	96 Å²	96	99 Å²	99	59%	0.589	62%	0.621	S	S	*	*			trans	156.9	95.5	132.5	52.6	0	0	0	0	109.5	S1006	T353-S1006 PolarHBondContact OG1-OG 3.39Å
354	D	30.7	Very low	45.1	Very low	153 Å²	153	95.3 Å²	95.3	82%	0.818	60%	0.604	S	S	*	*	S	Bend	trans	-164.6	54.4	151.3	-133.8	22.6	0	0	0	112.3	A356	D354-A356 VanDerWaalsContact C-N 3.26Å; D354-A356 PolarHBondContact O-N 3.33Å
355	G	33.6	Very low	46.8	Very low	92 Å²	92	96.1 Å²	96.1	95%	0.948	63%	0.626	S	S	*	*	S	Bend	trans	71.1	-8.6	163.4	0	0	0	0	0	119
356	A	38.8	Very low	49.2	Very low	63 Å²	63	96.1 Å²	96.1	52%	0.521	62%	0.62	S	S	.	*	S	Bend	trans	-88	146.1	169.3	0	0	0	0	0	110.8	D354	D354-A356 VanDerWaalsContact C-N 3.26Å; D354-A356 PolarHBondContact O-N 3.33Å
357	S	44.9	Very low	51.5	Low	75 Å²	75	94.8 Å²	94.8	52%	0.524	61%	0.614	S	S	.	*	P	Polyproline II helix	trans	-53.9	144.8	164.2	-56.7	0	0	0	0	110	V359	S357-V359 PolarHBondContact O-N 3.21Å
358	P	56	Low	53.8	Low	103 Å²	103	97.1 Å²	97.1	67%	0.669	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-51.5	127.8	169.3	-24.9	34.6	0	0	0	109.5	P360	P358-P360 VanDerWaalsContact O-CD 3.24Å; P358-P360 WeakPolarHBondContact O-CD 3.44Å
359	V	66.9	Low	56.2	Low	38 Å²	38	95.2 Å²	95.2	23%	0.23	58%	0.579	C	S	.	*	P	Polyproline II helix	trans	-64.9	119	177.3	-178.8	0	0	0	0	106.9	S357 D361 Y362 K374 H377 Y378	S357-V359 PolarHBondContact O-N 3.21Å; V359-D361 PolarHBondContact O-N 3.37Å; V359-Y362 HydrophobicContact CG1-CE2 4.34Å; V359-K374 HydrophobicContact CG1-CB 4.46Å; V359-K374 HydrophobicContact CG1-CG 3.93Å; V359-H377 HydrophobicContact CG1-CB 4.01Å; V359-Y378 HydrophobicContact CG2-CE1 3.93Å
360	P	71.9	Confident	58.8	Low	49 Å²	49	92.2 Å²	92.2	32%	0.318	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-57.5	141.3	-178.6	-25.4	34.5	0	0	0	111.5	P358 Y362	P358-P360 VanDerWaalsContact O-CD 3.24Å; P358-P360 WeakPolarHBondContact O-CD 3.44Å; P360-Y362 HydrophobicContact CB-CD1 4.44Å; P360-Y362 HydrophobicContact CB-CE1 4.04Å; P360-Y362 HydrophobicContact CB-CE2 4.44Å; P360-Y362 HydrophobicContact CG-CE1 4.33Å; P360-Y362 WeakPolarHBondContact O-CD2 3.42Å; P360-Y362 WeakPolarHBondContact O-CE2 3.4Å
361	D	70.6	Confident	61.1	Low	115 Å²	115	86.3 Å²	86.3	62%	0.615	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-69.2	128.2	152.4	-74	-51.4	0	0	0	107.2	V359 E363 K374	V359-D361 PolarHBondContact O-N 3.37Å; D361-E363 HydrophobicContact CB-CG 4.45Å; D361-K374 WeakPolarHBondContact OD1-CE 3.12Å; D361-K374 IonicContact OD1-NZ 2.89Å; D361-K374 PolarHBondContact OD1-NZ 3.3Å
362	Y	75.3	Confident	63.9	Low	3 Å²	3	82.9 Å²	82.9	1%	0.012	49%	0.494	C	S	.	.			trans	-93.3	-12.1	-170.5	-71.1	-76.7	0	0	0	112.5	V359 P360 T364 D370 L373 K374 H377 D456 S457 R458	V359-Y362 HydrophobicContact CG1-CE2 4.34Å; P360-Y362 HydrophobicContact CB-CD1 4.44Å; P360-Y362 HydrophobicContact CB-CE1 4.04Å; P360-Y362 HydrophobicContact CB-CE2 4.44Å; P360-Y362 HydrophobicContact CG-CE1 4.33Å; P360-Y362 WeakPolarHBondContact O-CD2 3.42Å; P360-Y362 WeakPolarHBondContact O-CE2 3.4Å; Y362-T364 PolarHBondContact O-N 2.95Å; Y362-T364 VanDerWaalsContact O-N 3.15Å; Y362-D370 PolarHBondContact N-OD2 2.76Å; Y362-L373 HydrophobicContact CD1-CB 4.42Å; Y362-L373 HydrophobicContact CD1-CD1 4.18Å; Y362-L373 HydrophobicContact CD2-CB 3.49Å; Y362-L373 VanDerWaalsContact CD2-CB 3.49Å; Y362-L373 HydrophobicContact CD2-CD1 4.31Å; Y362-L373 HydrophobicContact CE2-CB 3.86Å; Y362-L373 HydrophobicContact CG-CB 3.82Å; Y362-L373 HydrophobicContact CG-CD1 3.77Å; Y362-L373 HydrophobicContact CG-CG 4.45Å; Y362-K374 HydrophobicContact CD2-CG 4.13Å; Y362-K374 HydrophobicContact CE2-CG 4.13Å; Y362-H377 PolarHBondContact OH-ND1 3Å; Y362-H377 VanDerWaalsContact OH-ND1 3.1Å; Y362-D456 VanDerWaalsContact CE1-OD1 3.28Å; Y362-D456 WeakPolarHBondContact CE1-OD1 3.45Å; Y362-S457 PolarHBondContact OH-OG 2.68Å; Y362-R458 HydrophobicContact CD1-CG 4.27Å; Y362-R458 PolarHBondContact O-NH1 3.05Å
363	E	72.3	Confident	66.3	Low	176 Å²	176	80.6 Å²	80.6	82%	0.822	48%	0.478	S	S	*	.			trans	48.4	38	173.9	-60.2	-168.6	154.8	0	0	113.6	D361 G365 D370	D361-E363 HydrophobicContact CB-CG 4.45Å; E363-G365 PolarHBondContact O-N 3Å; E363-D370 PolarHBondContact N-OD1 3.06Å
364	T	74.8	Confident	68.9	Low	56 Å²	56	78.3 Å²	78.3	34%	0.344	46%	0.46	S	S	.	.			trans	-68.4	-18.3	-175.4	53.3	0	0	0	0	114.7	Y362 D366 D370 L373	Y362-T364 PolarHBondContact O-N 2.95Å; Y362-T364 VanDerWaalsContact O-N 3.15Å; T364-D366 VanDerWaalsContact C-N 3.33Å; T364-D366 PolarHBondContact OG1-O 2.61Å; T364-D370 PolarHBondContact N-OD1 3.01Å; T364-D370 PolarHBondContact OG1-N 3.41Å; T364-D370 PolarHBondContact OG1-OD1 3.16Å; T364-L373 HydrophobicContact CG2-CD1 3.47Å; T364-L373 VanDerWaalsContact CG2-CD1 3.47Å
365	G	69.1	Low	71.4	Confident	85 Å²	85	73.8 Å²	73.8	88%	0.876	43%	0.433	S	S	*	.	S	Bend	trans	86.8	-9.4	-173.3	0	0	0	0	0	115	E363	E363-G365 PolarHBondContact O-N 3Å
366	D	79.3	Confident	74	Confident	78 Å²	78	69.4 Å²	69.4	42%	0.417	39%	0.388	S	S	.	.			trans	-118.3	117.6	168.8	-177.5	0.3	0	0	0	110.2	T364 K368 D369 D370	T364-D366 VanDerWaalsContact C-N 3.33Å; T364-D366 PolarHBondContact OG1-O 2.61Å; D366-K368 PolarHBondContact O-N 3Å; D366-K368 VanDerWaalsContact O-N 3.12Å; D366-K368 WeakPolarHBondContact OD1-CB 3.3Å; D366-K368 PolarHBondContact OD1-N 3.31Å; D366-D369 HydrophobicContact CB-CB 4.27Å; D366-D369 PolarHBondContact O-N 3.43Å; D366-D370 PolarHBondContact O-N 3.31Å
367	E	78.8	Confident	76.3	Confident	156 Å²	156	66.9 Å²	66.9	73%	0.729	37%	0.365	S	S	*	.	H	α-helix	trans	-53.2	-32.5	176	-171.2	-175.9	-177	0	0	112.6	Q371	E367-Q371 VanDerWaalsContact O-CB 3.25Å; E367-Q371 WeakPolarHBondContact O-CB 3.47Å; E367-Q371 PolarHBondContact O-N 2.78Å
368	K	79.6	Confident	78.2	Confident	164 Å²	164	68.7 Å²	68.7	71%	0.713	36%	0.361	S	S	*	.	H	α-helix	trans	-70.2	-41.9	178.2	-63	169.7	-175.3	163.9	0	111.9	D366 Q371 R372	D366-K368 PolarHBondContact O-N 3Å; D366-K368 VanDerWaalsContact O-N 3.12Å; D366-K368 WeakPolarHBondContact OD1-CB 3.3Å; D366-K368 PolarHBondContact OD1-N 3.31Å; K368-Q371 PolarHBondContact O-N 3.22Å; K368-R372 PolarHBondContact O-N 2.97Å
369	D	81.8	Confident	79.6	Confident	48 Å²	48	63.9 Å²	63.9	26%	0.257	33%	0.33	S	S	.	.	H	α-helix	trans	-74.4	-40.6	-179.3	-154.5	63.6	0	0	0	111.2	D366 Q371 R372 L373	D366-D369 HydrophobicContact CB-CB 4.27Å; D366-D369 PolarHBondContact O-N 3.43Å; D369-Q371 VanDerWaalsContact C-N 3.27Å; D369-Q371 PolarHBondContact O-N 3.43Å; D369-R372 CarbonylContact O-C 3.51Å; D369-R372 WeakPolarHBondContact O-CA 3.43Å; D369-R372 WeakPolarHBondContact O-CB 3.43Å; D369-R372 PolarHBondContact O-N 3.08Å; D369-R372 IonicContact OD1-CZ 2.7Å; D369-R372 IonicContact OD1-NE 3.68Å; D369-R372 PolarHBondContact OD1-NE 3.34Å; D369-R372 IonicContact OD1-NH2 2.63Å; D369-R372 PolarHBondContact OD1-NH2 3.2Å; D369-R372 IonicContact OD2-CZ 2.64Å; D369-R372 IonicContact OD2-NH2 3.84Å; D369-R372 PolarHBondContact OD2-NH2 2.66Å; D369-L373 WeakPolarHBondContact O-CG 3.44Å; D369-L373 PolarHBondContact O-N 3.48Å
370	D	81.9	Confident	80.6	Confident	17 Å²	17	62 Å²	62	9%	0.091	32%	0.319	C	S	.	.	H	α-helix	trans	-56.8	-42.5	170.9	-121	78.5	0	0	0	111.5	Y362 E363 T364 D366 R372 L373 K374	Y362-D370 PolarHBondContact N-OD2 2.76Å; E363-D370 PolarHBondContact N-OD1 3.06Å; T364-D370 PolarHBondContact N-OD1 3.01Å; T364-D370 PolarHBondContact OG1-N 3.41Å; T364-D370 PolarHBondContact OG1-OD1 3.16Å; D366-D370 PolarHBondContact O-N 3.31Å; D370-R372 VanDerWaalsContact C-N 3.34Å; D370-R372 PolarHBondContact O-N 2.9Å; D370-L373 PolarHBondContact O-N 3.48Å; D370-K374 WeakPolarHBondContact O-CB 3.49Å; D370-K374 WeakPolarHBondContact O-CD 3.5Å; D370-K374 VanDerWaalsContact O-CG 3.32Å; D370-K374 WeakPolarHBondContact O-CG 3.46Å; D370-K374 PolarHBondContact O-N 2.92Å; D370-K374 IonicContact OD2-NZ 3.73Å; D370-K374 PolarHBondContact OD2-NZ 3.18Å
371	Q	81.7	Confident	81.3	Confident	74 Å²	74	61.4 Å²	61.4	35%	0.346	32%	0.315	S	S	.	.	H	α-helix	trans	-68.7	-29.7	174.9	-159.2	-172.2	103	0	0	112.8	E367 K368 D369 K375	E367-Q371 VanDerWaalsContact O-CB 3.25Å; E367-Q371 WeakPolarHBondContact O-CB 3.47Å; E367-Q371 PolarHBondContact O-N 2.78Å; K368-Q371 PolarHBondContact O-N 3.22Å; D369-Q371 VanDerWaalsContact C-N 3.27Å; D369-Q371 PolarHBondContact O-N 3.43Å; Q371-K375 WeakPolarHBondContact O-CD 3.24Å; Q371-K375 VanDerWaalsContact O-CG 3.23Å; Q371-K375 WeakPolarHBondContact O-CG 3.15Å; Q371-K375 PolarHBondContact O-N 3.47Å; Q371-K375 VanDerWaalsContact O-N 3.1Å
372	R	87.9	Confident	82	Confident	47 Å²	47	58.2 Å²	58.2	18%	0.177	30%	0.296	C	S	.	.	H	α-helix	trans	-69	-47.7	171.8	-176.8	-173.1	62.8	77	4.2	111.2	K368 D369 D370 K374 K375 L376 Y544	K368-R372 PolarHBondContact O-N 2.97Å; D369-R372 CarbonylContact O-C 3.51Å; D369-R372 WeakPolarHBondContact O-CA 3.43Å; D369-R372 WeakPolarHBondContact O-CB 3.43Å; D369-R372 PolarHBondContact O-N 3.08Å; D369-R372 IonicContact OD1-CZ 2.7Å; D369-R372 IonicContact OD1-NE 3.68Å; D369-R372 PolarHBondContact OD1-NE 3.34Å; D369-R372 IonicContact OD1-NH2 2.63Å; D369-R372 PolarHBondContact OD1-NH2 3.2Å; D369-R372 IonicContact OD2-CZ 2.64Å; D369-R372 IonicContact OD2-NH2 3.84Å; D369-R372 PolarHBondContact OD2-NH2 2.66Å; D370-R372 VanDerWaalsContact C-N 3.34Å; D370-R372 PolarHBondContact O-N 2.9Å; R372-K374 VanDerWaalsContact C-N 3.32Å; R372-K374 PolarHBondContact O-N 3.19Å; R372-K375 WeakPolarHBondContact O-CB 3.21Å; R372-K375 PolarHBondContact O-N 3.19Å; R372-K375 VanDerWaalsContact O-N 3.14Å; R372-L376 WeakPolarHBondContact O-CB 3.48Å; R372-L376 PolarHBondContact O-N 3.45Å; R372-Y544 WeakPolarHBondContact CD-O 3.47Å; R372-Y544 WeakPolarHBondContact CG-O 3.37Å; R372-Y544 PolarHBondContact NH1-O 3.41Å
373	L	86	Confident	82.7	Confident	4 Å²	4	58.1 Å²	58.1	2%	0.021	30%	0.296	C	S	.	.	H	α-helix	trans	-63.1	-36.8	178.5	-66.3	175.6	0	0	0	112.2	Y362 T364 D369 D370 L376 H377 S457 R458	Y362-L373 HydrophobicContact CD1-CB 4.42Å; Y362-L373 HydrophobicContact CD1-CD1 4.18Å; Y362-L373 HydrophobicContact CD2-CB 3.49Å; Y362-L373 VanDerWaalsContact CD2-CB 3.49Å; Y362-L373 HydrophobicContact CD2-CD1 4.31Å; Y362-L373 HydrophobicContact CE2-CB 3.86Å; Y362-L373 HydrophobicContact CG-CB 3.82Å; Y362-L373 HydrophobicContact CG-CD1 3.77Å; Y362-L373 HydrophobicContact CG-CG 4.45Å; T364-L373 HydrophobicContact CG2-CD1 3.47Å; T364-L373 VanDerWaalsContact CG2-CD1 3.47Å; D369-L373 WeakPolarHBondContact O-CG 3.44Å; D369-L373 PolarHBondContact O-N 3.48Å; D370-L373 PolarHBondContact O-N 3.48Å; L373-L376 PolarHBondContact O-N 2.79Å; L373-H377 PolarHBondContact O-N 3.08Å; L373-S457 VanDerWaalsContact CD2-O 3.3Å; L373-S457 WeakPolarHBondContact CD2-O 3.31Å; L373-S457 WeakPolarHBondContact O-CB 3.36Å; L373-S457 PolarHBondContact O-OG 2.73Å; L373-R458 HydrophobicContact CD1-CG 4.15Å
374	K	84.4	Confident	83.5	Confident	48 Å²	48	51.3 Å²	51.3	21%	0.209	27%	0.265	C	S	.	.	H	α-helix	trans	-65.1	-43.8	170.8	-75.2	160	176.4	148.7	0	112.1	V359 D361 Y362 D370 R372 L376 H377 Y378	V359-K374 HydrophobicContact CG1-CB 4.46Å; V359-K374 HydrophobicContact CG1-CG 3.93Å; D361-K374 WeakPolarHBondContact OD1-CE 3.12Å; D361-K374 IonicContact OD1-NZ 2.89Å; D361-K374 PolarHBondContact OD1-NZ 3.3Å; Y362-K374 HydrophobicContact CD2-CG 4.13Å; Y362-K374 HydrophobicContact CE2-CG 4.13Å; D370-K374 WeakPolarHBondContact O-CB 3.49Å; D370-K374 WeakPolarHBondContact O-CD 3.5Å; D370-K374 VanDerWaalsContact O-CG 3.32Å; D370-K374 WeakPolarHBondContact O-CG 3.46Å; D370-K374 PolarHBondContact O-N 2.92Å; D370-K374 IonicContact OD2-NZ 3.73Å; D370-K374 PolarHBondContact OD2-NZ 3.18Å; R372-K374 VanDerWaalsContact C-N 3.32Å; R372-K374 PolarHBondContact O-N 3.19Å; K374-L376 VanDerWaalsContact C-N 3.35Å; K374-L376 PolarHBondContact O-N 3.13Å; K374-H377 WeakPolarHBondContact O-CB 3.36Å; K374-H377 PolarHBondContact O-N 3.44Å; K374-Y378 WeakPolarHBondContact O-CD2 3.48Å; K374-Y378 PolarHBondContact O-N 3.08Å; K374-Y378 VanDerWaalsContact O-N 3.08Å
375	K	84.8	Confident	84	Confident	58 Å²	58	53.8 Å²	53.8	25%	0.252	27%	0.27	S	S	.	.	H	α-helix	trans	-61	-41	173.1	-74.1	163.7	-170	161.5	0	112.3	T344 Q371 R372 Y378 A379 Y544	T344-K375 HydrophobicContact CG2-CG 3.96Å; Q371-K375 WeakPolarHBondContact O-CD 3.24Å; Q371-K375 VanDerWaalsContact O-CG 3.23Å; Q371-K375 WeakPolarHBondContact O-CG 3.15Å; Q371-K375 PolarHBondContact O-N 3.47Å; Q371-K375 VanDerWaalsContact O-N 3.1Å; R372-K375 WeakPolarHBondContact O-CB 3.21Å; R372-K375 PolarHBondContact O-N 3.19Å; R372-K375 VanDerWaalsContact O-N 3.14Å; K375-Y378 PolarHBondContact O-N 2.85Å; K375-A379 PolarHBondContact O-N 3.2Å; K375-Y544 HydrophobicContact CB-CD1 4.21Å; K375-Y544 HydrophobicContact CB-CD2 3.72Å; K375-Y544 HydrophobicContact CB-CE1 4.37Å; K375-Y544 HydrophobicContact CB-CE2 3.86Å; K375-Y544 HydrophobicContact CB-CG 3.92Å; K375-Y544 HydrophobicContact CD-CE1 4.4Å; K375-Y544 WeakPolarHBondContact O-CD2 3.35Å
376	L	87.9	Confident	84.8	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-63.4	-41.7	176.6	-175.9	59.2	0	0	0	112	R372 L373 K374 A379 A380 W455 P460 Y541 L545	R372-L376 WeakPolarHBondContact O-CB 3.48Å; R372-L376 PolarHBondContact O-N 3.45Å; L373-L376 PolarHBondContact O-N 2.79Å; K374-L376 VanDerWaalsContact C-N 3.35Å; K374-L376 PolarHBondContact O-N 3.13Å; L376-A379 PolarHBondContact O-N 2.91Å; L376-A380 PolarHBondContact O-N 3.04Å; L376-W455 HydrophobicContact CG-CZ2 4.37Å; L376-P460 HydrophobicContact CD2-CB 4.1Å; L376-P460 HydrophobicContact CD2-CG 4.28Å; L376-Y541 HydrophobicContact CD1-CD2 3.59Å; L376-Y541 HydrophobicContact CD1-CE2 3.61Å; L376-Y541 HydrophobicContact CD1-CG 4.26Å; L376-L545 HydrophobicContact CD1-CD2 3.86Å; L376-L545 HydrophobicContact CD1-CG 4.41Å; L376-L545 HydrophobicContact CD2-CD2 3.9Å
377	H	85.9	Confident	85.4	Confident	9 Å²	9	47 Å²	47	4%	0.042	22%	0.215	C	C	.	.	H	α-helix	trans	-58.8	-49	172.5	-168.4	121.2	0	0	0	111.2	V359 Y362 L373 K374 A379 A380 V381 W455 S457	V359-H377 HydrophobicContact CG1-CB 4.01Å; Y362-H377 PolarHBondContact OH-ND1 3Å; Y362-H377 VanDerWaalsContact OH-ND1 3.1Å; L373-H377 PolarHBondContact O-N 3.08Å; K374-H377 WeakPolarHBondContact O-CB 3.36Å; K374-H377 PolarHBondContact O-N 3.44Å; H377-A379 VanDerWaalsContact C-N 3.29Å; H377-A379 PolarHBondContact O-N 2.9Å; H377-A380 PolarHBondContact O-N 2.75Å; H377-V381 WeakPolarHBondContact O-CG2 3.23Å; H377-V381 PolarHBondContact O-N 2.87Å; H377-W455 AromaticContact CE1-CD1 3.9Å; H377-W455 AromaticContact CG-CD1 3.93Å; H377-W455 AromaticContact ND1-CD1 3.46Å; H377-S457 PolarHBondContact N-OG 3.24Å
378	Y	85.7	Confident	85.9	Confident	113 Å²	113	43.7 Å²	43.7	44%	0.443	20%	0.202	S	C	.	.	H	α-helix	trans	-62.3	-34.2	177.9	-72.2	-59.6	0	0	0	113	V359 K374 K375 E382	V359-Y378 HydrophobicContact CG2-CE1 3.93Å; K374-Y378 WeakPolarHBondContact O-CD2 3.48Å; K374-Y378 PolarHBondContact O-N 3.08Å; K374-Y378 VanDerWaalsContact O-N 3.08Å; K375-Y378 PolarHBondContact O-N 2.85Å; Y378-E382 WeakPolarHBondContact O-CB 3.31Å; Y378-E382 PolarHBondContact O-N 3.47Å
379	A	84.7	Confident	86.2	Confident	2 Å²	2	40.4 Å²	40.4	2%	0.017	19%	0.193	C	C	.	.	H	α-helix	trans	-66.3	-41.5	173.6	0	0	0	0	0	112.1	K375 L376 H377 E382 F383 Y541 Y544	K375-A379 PolarHBondContact O-N 3.2Å; L376-A379 PolarHBondContact O-N 2.91Å; H377-A379 VanDerWaalsContact C-N 3.29Å; H377-A379 PolarHBondContact O-N 2.9Å; A379-E382 WeakPolarHBondContact O-CB 3.18Å; A379-E382 PolarHBondContact O-N 3.48Å; A379-F383 WeakPolarHBondContact O-CD2 3.4Å; A379-F383 PolarHBondContact O-N 3.05Å; A379-Y541 HydrophobicContact CB-CD2 4.43Å; A379-Y544 HydrophobicContact CB-CD2 4.16Å; A379-Y544 HydrophobicContact CB-CE2 4.23Å
380	A	87.9	Confident	86.6	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.6	-46.4	174.4	0	0	0	0	0	112	L376 H377 E382 F383 W455 M462	L376-A380 PolarHBondContact O-N 3.04Å; H377-A380 PolarHBondContact O-N 2.75Å; A380-E382 VanDerWaalsContact C-N 3.26Å; A380-E382 PolarHBondContact O-N 3.38Å; A380-F383 WeakPolarHBondContact O-CB 3.39Å; A380-F383 PolarHBondContact O-N 2.89Å; A380-W455 HydrophobicContact CB-CD2 3.87Å; A380-W455 HydrophobicContact CB-CE3 3.96Å; A380-W455 HydrophobicContact CB-CH2 3.85Å; A380-W455 HydrophobicContact CB-CZ2 3.71Å; A380-W455 HydrophobicContact CB-CZ3 3.95Å; A380-M462 HydrophobicContact CB-CE 4.11Å
381	V	86.9	Confident	87.1	Confident	36 Å²	36	37.6 Å²	37.6	22%	0.218	18%	0.178	C	C	.	.	H	α-helix	trans	-65.9	-27	176.8	175.4	0	0	0	0	112.3	H377 F383 L384 K385	H377-V381 WeakPolarHBondContact O-CG2 3.23Å; H377-V381 PolarHBondContact O-N 2.87Å; V381-F383 VanDerWaalsContact C-N 3.34Å; V381-F383 PolarHBondContact O-N 3.44Å; V381-L384 PolarHBondContact O-N 2.86Å; V381-K385 WeakPolarHBondContact O-CB 3.45Å; V381-K385 PolarHBondContact O-N 3.01Å
382	E	85.9	Confident	87.5	Confident	47 Å²	47	37.9 Å²	37.9	22%	0.22	18%	0.179	C	C	.	.	H	α-helix	trans	-63.1	-37.8	173.6	-166.4	174	-169.4	0	0	112	Y378 A379 A380 K385 V386 L537 R540	Y378-E382 WeakPolarHBondContact O-CB 3.31Å; Y378-E382 PolarHBondContact O-N 3.47Å; A379-E382 WeakPolarHBondContact O-CB 3.18Å; A379-E382 PolarHBondContact O-N 3.48Å; A380-E382 VanDerWaalsContact C-N 3.26Å; A380-E382 PolarHBondContact O-N 3.38Å; E382-K385 PolarHBondContact O-N 2.75Å; E382-V386 HydrophobicContact CG-CG2 4.23Å; E382-V386 VanDerWaalsContact O-CB 3.32Å; E382-V386 WeakPolarHBondContact O-CB 3.48Å; E382-V386 VanDerWaalsContact O-CG2 3.24Å; E382-V386 WeakPolarHBondContact O-CG2 3.18Å; E382-V386 PolarHBondContact O-N 3.19Å; E382-L537 HydrophobicContact CB-CD2 4.19Å; E382-L537 VanDerWaalsContact CD-CD2 3.43Å; E382-L537 HydrophobicContact CG-CD2 3.6Å; E382-R540 IonicContact OE2-CZ 3.38Å; E382-R540 IonicContact OE2-NH1 3.72Å; E382-R540 PolarHBondContact OE2-NH1 3.08Å
383	F	88.6	Confident	87.6	Confident	2 Å²	2	35.8 Å²	35.8	1%	0.009	17%	0.171	C	C	.	.	H	α-helix	trans	-58.5	-49.1	172.6	-76.7	-85	0	0	0	112	A379 A380 V381 K385 V386 Q387 I448 M462 I466 L537 M538	A379-F383 WeakPolarHBondContact O-CD2 3.4Å; A379-F383 PolarHBondContact O-N 3.05Å; A380-F383 WeakPolarHBondContact O-CB 3.39Å; A380-F383 PolarHBondContact O-N 2.89Å; V381-F383 VanDerWaalsContact C-N 3.34Å; V381-F383 PolarHBondContact O-N 3.44Å; F383-K385 PolarHBondContact O-N 2.78Å; F383-V386 PolarHBondContact O-N 3.48Å; F383-Q387 VanDerWaalsContact O-CB 3.26Å; F383-Q387 WeakPolarHBondContact O-CB 3.44Å; F383-Q387 PolarHBondContact O-N 3.33Å; F383-I448 HydrophobicContact CB-CD1 4.45Å; F383-I448 HydrophobicContact CB-CG2 4.08Å; F383-M462 HydrophobicContact CB-CE 4.31Å; F383-M462 HydrophobicContact CB-SD 4.46Å; F383-M462 HydrophobicContact CD2-CE 4.45Å; F383-M462 HydrophobicContact CD2-CG 3.89Å; F383-M462 HydrophobicContact CD2-SD 4.42Å; F383-M462 HydrophobicContact CE2-CG 3.93Å; F383-M462 HydrophobicContact CG-CG 4.37Å; F383-M462 HydrophobicContact CG-SD 4.42Å; F383-M462 HydrophobicContact CZ-CG 4.44Å; F383-I466 HydrophobicContact CD1-CD1 3.66Å; F383-I466 HydrophobicContact CD1-CG1 4.03Å; F383-I466 HydrophobicContact CE1-CD1 3.81Å; F383-I466 HydrophobicContact CE1-CG1 3.71Å; F383-I466 HydrophobicContact CE1-CG2 4.43Å; F383-I466 HydrophobicContact CG-CD1 4.46Å; F383-I466 HydrophobicContact CZ-CG1 4.2Å; F383-L537 HydrophobicContact CD1-CB 3.96Å; F383-L537 HydrophobicContact CD1-CD1 3.73Å; F383-L537 HydrophobicContact CD2-CB 4.38Å; F383-L537 HydrophobicContact CE1-CB 3.44Å; F383-L537 VanDerWaalsContact CE1-CB 3.44Å; F383-L537 HydrophobicContact CE1-CD1 4.02Å; F383-L537 HydrophobicContact CE1-CG 4.41Å; F383-L537 HydrophobicContact CE2-CB 3.92Å; F383-L537 HydrophobicContact CG-CB 4.41Å; F383-L537 HydrophobicContact CG-CD1 4.17Å; F383-L537 HydrophobicContact CZ-CB 3.43Å; F383-L537 VanDerWaalsContact CZ-CB 3.43Å; F383-M538 HydrophobicContact CE1-CE 4.35Å; F383-M538 HydrophobicContact CZ-CB 4.24Å; F383-M538 HydrophobicContact CZ-CE 3.77Å; F383-M538 HydrophobicContact CZ-SD 4.46Å
384	L	89.1	Confident	87.8	Confident	33 Å²	33	35.6 Å²	35.6	17%	0.173	17%	0.17	C	C	.	.	H	α-helix	trans	-59.6	-47.1	179	179.4	56.2	0	0	0	111	V381 V386 Q387 N388 L445 I448 D449 C452	V381-L384 PolarHBondContact O-N 2.86Å; L384-V386 PolarHBondContact O-N 3.45Å; L384-Q387 PolarHBondContact O-N 2.83Å; L384-N388 VanDerWaalsContact O-CB 3.24Å; L384-N388 WeakPolarHBondContact O-CB 3.29Å; L384-N388 PolarHBondContact O-N 2.91Å; L384-L445 HydrophobicContact CD1-CD1 3.73Å; L384-I448 HydrophobicContact CB-CG2 3.86Å; L384-I448 HydrophobicContact CD1-CG2 4.25Å; L384-D449 HydrophobicContact CD1-CB 3.87Å; L384-C452 HydrophobicContact CD2-CB 3.84Å
385	K	86	Confident	88.1	Confident	107 Å²	107	36.8 Å²	36.8	47%	0.465	18%	0.175	S	C	.	.	H	α-helix	trans	-63	-42.2	179.8	-167.7	164.6	-168.7	153	0	112.2	V381 E382 F383 N389	V381-K385 WeakPolarHBondContact O-CB 3.45Å; V381-K385 PolarHBondContact O-N 3.01Å; E382-K385 PolarHBondContact O-N 2.75Å; F383-K385 PolarHBondContact O-N 2.78Å; K385-N389 PolarHBondContact O-N 2.97Å; K385-N389 PolarHBondContact O-ND2 2.87Å
386	V	86.8	Confident	88.3	Confident	20 Å²	20	34.5 Å²	34.5	12%	0.121	17%	0.165	C	C	.	.	H	α-helix	trans	-65.4	-48.7	176.2	163.3	0	0	0	0	110.9	E382 F383 L384 N388 N389 Y390 R533 L537	E382-V386 HydrophobicContact CG-CG2 4.23Å; E382-V386 VanDerWaalsContact O-CB 3.32Å; E382-V386 WeakPolarHBondContact O-CB 3.48Å; E382-V386 VanDerWaalsContact O-CG2 3.24Å; E382-V386 WeakPolarHBondContact O-CG2 3.18Å; E382-V386 PolarHBondContact O-N 3.19Å; F383-V386 PolarHBondContact O-N 3.48Å; L384-V386 PolarHBondContact O-N 3.45Å; V386-N388 PolarHBondContact O-N 3.35Å; V386-N389 PolarHBondContact O-N 3.34Å; V386-Y390 PolarHBondContact O-N 2.98Å; V386-R533 VanDerWaalsContact CG1-CD 3.46Å; V386-R533 HydrophobicContact CG1-CG 4.21Å; V386-L537 HydrophobicContact CB-CD1 4.15Å; V386-L537 HydrophobicContact CG1-CD1 4.12Å; V386-L537 HydrophobicContact CG2-CD1 4.11Å
387	Q	90.8	Very high	88.4	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65.1	-42	-176.4	-172.9	68.3	4.7	0	0	112	F383 L384 Y390 V391 H441 L445 I448 Y534	F383-Q387 VanDerWaalsContact O-CB 3.26Å; F383-Q387 WeakPolarHBondContact O-CB 3.44Å; F383-Q387 PolarHBondContact O-N 3.33Å; L384-Q387 PolarHBondContact O-N 2.83Å; Q387-Y390 PolarHBondContact O-N 3.4Å; Q387-V391 WeakPolarHBondContact O-CG2 3.29Å; Q387-V391 PolarHBondContact O-N 2.7Å; Q387-H441 PolarHBondContact NE2-ND1 2.61Å; Q387-H441 PolarHBondContact NE2-O 3.25Å; Q387-L445 HydrophobicContact CB-CD1 4.03Å; Q387-L445 HydrophobicContact CG-CB 3.74Å; Q387-L445 HydrophobicContact CG-CD1 3.82Å; Q387-L445 HydrophobicContact CG-CG 4.34Å; Q387-I448 HydrophobicContact CB-CD1 4.09Å; Q387-I448 HydrophobicContact CG-CD1 4.09Å; Q387-Y534 PolarHBondContact OE1-OH 2.82Å
388	N	90.2	Very high	88.5	Confident	88 Å²	88	34.1 Å²	34.1	47%	0.471	16%	0.163	S	C	.	.	H	α-helix	trans	-60.4	-48.5	176.6	-174.5	-64.6	0	0	0	111.2	L384 V386 Y390 V391 Q392 L445	L384-N388 VanDerWaalsContact O-CB 3.24Å; L384-N388 WeakPolarHBondContact O-CB 3.29Å; L384-N388 PolarHBondContact O-N 2.91Å; V386-N388 PolarHBondContact O-N 3.35Å; N388-Y390 VanDerWaalsContact C-N 3.28Å; N388-Y390 PolarHBondContact O-N 3.39Å; N388-V391 PolarHBondContact O-N 3.4Å; N388-Q392 WeakPolarHBondContact O-CB 3.5Å; N388-Q392 PolarHBondContact O-N 3.48Å; N388-L445 HydrophobicContact CB-CD1 4.09Å
389	N	86.4	Confident	88.7	Confident	95 Å²	95	31.3 Å²	31.3	51%	0.508	16%	0.158	S	C	.	.	H	α-helix	trans	-61.1	-35.4	175.2	-82.1	-80.1	0	0	0	112.6	K385 V386 Y393	K385-N389 PolarHBondContact O-N 2.97Å; K385-N389 PolarHBondContact O-ND2 2.87Å; V386-N389 PolarHBondContact O-N 3.34Å; N389-Y393 PolarHBondContact O-N 3.14Å
390	Y	89.6	Confident	88.9	Confident	1 Å²	1	34.7 Å²	34.7	0%	0.004	18%	0.176	C	C	.	.	H	α-helix	trans	-72	-44.8	178.4	-173.7	-139.8	0	0	0	112.9	V386 Q387 N388 Q392 Y393 L394 H441 Q526 V527 N530	V386-Y390 PolarHBondContact O-N 2.98Å; Q387-Y390 PolarHBondContact O-N 3.4Å; N388-Y390 VanDerWaalsContact C-N 3.28Å; N388-Y390 PolarHBondContact O-N 3.39Å; Y390-Q392 VanDerWaalsContact C-N 3.26Å; Y390-Q392 PolarHBondContact O-N 3.27Å; Y390-Y393 AromaticContact CD2-CD1 3.52Å; Y390-Y393 HydrophobicContact CD2-CD1 3.52Å; Y390-Y393 HydrophobicContact CD2-CE1 4.15Å; Y390-Y393 HydrophobicContact CD2-CG 4.42Å; Y390-Y393 AromaticContact CE2-CD1 3.53Å; Y390-Y393 HydrophobicContact CE2-CD1 3.53Å; Y390-Y393 AromaticContact CE2-CE1 3.66Å; Y390-Y393 HydrophobicContact CE2-CE1 3.66Å; Y390-Y393 WeakPolarHBondContact O-CB 3.31Å; Y390-Y393 PolarHBondContact O-N 3.05Å; Y390-Y393 VanDerWaalsContact O-N 3.14Å; Y390-L394 HydrophobicContact CD1-CD1 4.19Å; Y390-L394 HydrophobicContact CD2-CD1 4.48Å; Y390-L394 HydrophobicContact CD2-CG 4.23Å; Y390-L394 HydrophobicContact CE1-CD1 3.86Å; Y390-L394 HydrophobicContact CE1-CG 4.47Å; Y390-L394 HydrophobicContact CE2-CD1 4.2Å; Y390-L394 HydrophobicContact CE2-CD2 4.01Å; Y390-L394 HydrophobicContact CE2-CG 3.92Å; Y390-L394 HydrophobicContact CG-CD1 4.48Å; Y390-L394 WeakPolarHBondContact O-CG 3.42Å; Y390-L394 PolarHBondContact O-N 3.48Å; Y390-H441 AromaticContact CD1-ND1 3.55Å; Y390-H441 AromaticContact CE1-CE1 3.54Å; Y390-H441 AromaticContact CE1-CG 3.74Å; Y390-H441 AromaticContact CE1-ND1 3.39Å; Y390-H441 WeakPolarHBondContact CE1-ND1 3.17Å; Y390-H441 AromaticContact CE1-NE2 3.91Å; Y390-Q526 HydrophobicContact CD2-CG 4.22Å; Y390-V527 HydrophobicContact CE2-CG2 4.33Å; Y390-V527 WeakPolarHBondContact OH-CG1 3.3Å; Y390-N530 VanDerWaalsContact CB-ND2 3.32Å; Y390-N530 WeakPolarHBondContact CB-ND2 3.43Å; Y390-N530 HydrophobicContact CD1-CB 4.07Å; Y390-N530 HydrophobicContact CD2-CB 4.08Å; Y390-N530 WeakPolarHBondContact CD2-ND2 3.42Å; Y390-N530 HydrophobicContact CE1-CB 4.28Å; Y390-N530 HydrophobicContact CE2-CB 4.26Å; Y390-N530 HydrophobicContact CG-CB 3.99Å
391	V	91.7	Very high	89	Confident	5 Å²	5	34.8 Å²	34.8	3%	0.03	18%	0.176	C	C	.	.	H	α-helix	trans	-59.3	-40.3	173.9	166.6	0	0	0	0	110.8	Q387 N388 L394 K395 L438 H441 E442 L445	Q387-V391 WeakPolarHBondContact O-CG2 3.29Å; Q387-V391 PolarHBondContact O-N 2.7Å; N388-V391 PolarHBondContact O-N 3.4Å; V391-L394 PolarHBondContact O-N 2.96Å; V391-K395 HydrophobicContact CG1-CD 4.41Å; V391-K395 WeakPolarHBondContact O-CG 3.45Å; V391-K395 PolarHBondContact O-N 2.91Å; V391-L438 HydrophobicContact CG1-CD1 4.15Å; V391-H441 HydrophobicContact CG2-CB 4.03Å; V391-H441 WeakPolarHBondContact CG2-O 3.24Å; V391-E442 HydrophobicContact CG1-CG 3.81Å; V391-E442 HydrophobicContact CG2-CG 4.45Å; V391-L445 HydrophobicContact CB-CD2 4.09Å; V391-L445 HydrophobicContact CG1-CD2 4.17Å; V391-L445 HydrophobicContact CG2-CB 4.21Å; V391-L445 HydrophobicContact CG2-CD2 4.01Å
392	Q	89.5	Confident	89.1	Confident	79 Å²	79	33.1 Å²	33.1	37%	0.369	17%	0.166	S	C	.	.	H	α-helix	trans	-65.1	-40.2	174.8	-179.9	55.5	30.8	0	0	112.5	N388 Y390 K395 E396	N388-Q392 WeakPolarHBondContact O-CB 3.5Å; N388-Q392 PolarHBondContact O-N 3.48Å; Y390-Q392 VanDerWaalsContact C-N 3.26Å; Y390-Q392 PolarHBondContact O-N 3.27Å; Q392-K395 PolarHBondContact O-N 3.46Å; Q392-E396 WeakPolarHBondContact CG-OE1 3.32Å; Q392-E396 PolarHBondContact NE2-OE1 3.37Å; Q392-E396 WeakPolarHBondContact O-CG 3.45Å; Q392-E396 PolarHBondContact O-N 3.04Å
393	Y	89.9	Confident	89.3	Confident	3 Å²	3	33.9 Å²	33.9	1%	0.012	17%	0.17	C	C	.	.	H	α-helix	trans	-60.6	-44.8	170.8	152.9	-90	0	0	0	112	N389 Y390 K395 E396 M397 M434 Q523 Q526 V527	N389-Y393 PolarHBondContact O-N 3.14Å; Y390-Y393 AromaticContact CD2-CD1 3.52Å; Y390-Y393 HydrophobicContact CD2-CD1 3.52Å; Y390-Y393 HydrophobicContact CD2-CE1 4.15Å; Y390-Y393 HydrophobicContact CD2-CG 4.42Å; Y390-Y393 AromaticContact CE2-CD1 3.53Å; Y390-Y393 HydrophobicContact CE2-CD1 3.53Å; Y390-Y393 AromaticContact CE2-CE1 3.66Å; Y390-Y393 HydrophobicContact CE2-CE1 3.66Å; Y390-Y393 WeakPolarHBondContact O-CB 3.31Å; Y390-Y393 PolarHBondContact O-N 3.05Å; Y390-Y393 VanDerWaalsContact O-N 3.14Å; Y393-K395 VanDerWaalsContact C-N 3.29Å; Y393-K395 PolarHBondContact O-N 2.88Å; Y393-E396 PolarHBondContact O-N 3.35Å; Y393-E396 VanDerWaalsContact O-N 3.15Å; Y393-M397 HydrophobicContact CD2-CG 3.88Å; Y393-M397 HydrophobicContact CE2-CB 4.35Å; Y393-M397 HydrophobicContact CE2-CG 3.29Å; Y393-M397 HydrophobicContact CE2-SD 4.42Å; Y393-M397 PolarHBondContact O-N 3.42Å; Y393-M434 WeakPolarHBondContact OH-CE 3.1Å; Y393-Q523 HydrophobicContact CD2-CB 4.46Å; Y393-Q523 HydrophobicContact CE2-CB 3.97Å; Y393-Q523 WeakPolarHBondContact CE2-O 3.31Å; Y393-Q523 PolarHBondContact OH-O 3.09Å; Y393-Q523 VanDerWaalsContact OH-O 3.13Å; Y393-Q526 HydrophobicContact CD1-CB 4.19Å; Y393-Q526 HydrophobicContact CD1-CG 3.82Å; Y393-Q526 HydrophobicContact CD2-CB 3.95Å; Y393-Q526 HydrophobicContact CD2-CG 3.9Å; Y393-Q526 HydrophobicContact CE1-CB 4.02Å; Y393-Q526 HydrophobicContact CE1-CG 4.16Å; Y393-Q526 HydrophobicContact CE2-CB 3.75Å; Y393-Q526 HydrophobicContact CE2-CG 4.21Å; Y393-Q526 HydrophobicContact CG-CB 4.17Å; Y393-Q526 HydrophobicContact CG-CG 3.7Å; Y393-V527 HydrophobicContact CE1-CG2 3.91Å
394	L	90.5	Very high	89.3	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.8	-38.8	179.8	-72.7	171.7	0	0	0	110.9	Y390 V391 M397 A398 M434 I437 L438 H441	Y390-L394 HydrophobicContact CD1-CD1 4.19Å; Y390-L394 HydrophobicContact CD2-CD1 4.48Å; Y390-L394 HydrophobicContact CD2-CG 4.23Å; Y390-L394 HydrophobicContact CE1-CD1 3.86Å; Y390-L394 HydrophobicContact CE1-CG 4.47Å; Y390-L394 HydrophobicContact CE2-CD1 4.2Å; Y390-L394 HydrophobicContact CE2-CD2 4.01Å; Y390-L394 HydrophobicContact CE2-CG 3.92Å; Y390-L394 HydrophobicContact CG-CD1 4.48Å; Y390-L394 WeakPolarHBondContact O-CG 3.42Å; Y390-L394 PolarHBondContact O-N 3.48Å; V391-L394 PolarHBondContact O-N 2.96Å; L394-M397 PolarHBondContact O-N 3.29Å; L394-A398 WeakPolarHBondContact O-CB 3.32Å; L394-A398 PolarHBondContact O-N 3.3Å; L394-M434 HydrophobicContact CD2-SD 3.58Å; L394-M434 VanDerWaalsContact CD2-SD 3.58Å; L394-I437 HydrophobicContact CD1-CG2 3.97Å; L394-I437 HydrophobicContact CD2-CG2 4.09Å; L394-L438 HydrophobicContact CB-CB 4.38Å; L394-L438 HydrophobicContact CB-CD1 3.8Å; L394-L438 HydrophobicContact CD1-CD1 4.46Å; L394-H441 HydrophobicContact CD1-CB 3.93Å
395	K	90.9	Very high	89.2	Confident	73 Å²	73	33.6 Å²	33.6	32%	0.317	17%	0.166	S	C	.	.	H	α-helix	trans	-65.9	-42.3	172.9	-70.2	174.8	-177.6	-176	0	112.8	V391 Q392 Y393 M397 V399 L400 L438 E442	V391-K395 HydrophobicContact CG1-CD 4.41Å; V391-K395 WeakPolarHBondContact O-CG 3.45Å; V391-K395 PolarHBondContact O-N 2.91Å; Q392-K395 PolarHBondContact O-N 3.46Å; Y393-K395 VanDerWaalsContact C-N 3.29Å; Y393-K395 PolarHBondContact O-N 2.88Å; K395-M397 VanDerWaalsContact C-N 3.33Å; K395-M397 PolarHBondContact O-N 3.35Å; K395-V399 WeakPolarHBondContact O-CB 3.32Å; K395-V399 PolarHBondContact O-N 3.35Å; K395-V399 VanDerWaalsContact O-N 3.1Å; K395-L400 PolarHBondContact O-N 3.02Å; K395-L438 HydrophobicContact CG-CD1 3.94Å; K395-L438 HydrophobicContact CG-CD2 3.97Å; K395-E442 WeakPolarHBondContact CE-OE1 3.49Å; K395-E442 IonicContact NZ-OE1 2.93Å; K395-E442 PolarHBondContact NZ-OE1 2.88Å
396	E	89.6	Confident	89.3	Confident	11 Å²	11	32.4 Å²	32.4	5%	0.051	16%	0.163	C	C	.	.	I	π-helix	trans	-61.3	-39.9	176.1	-76	167	-156.5	0	0	112	Q392 Y393 L400 Y401 V511 F512 K517	Q392-E396 WeakPolarHBondContact CG-OE1 3.32Å; Q392-E396 PolarHBondContact NE2-OE1 3.37Å; Q392-E396 WeakPolarHBondContact O-CG 3.45Å; Q392-E396 PolarHBondContact O-N 3.04Å; Y393-E396 PolarHBondContact O-N 3.35Å; Y393-E396 VanDerWaalsContact O-N 3.15Å; E396-L400 HydrophobicContact CG-CD1 4.08Å; E396-Y401 WeakPolarHBondContact O-CB 3.46Å; E396-Y401 PolarHBondContact O-N 3.13Å; E396-V511 HydrophobicContact CG-CG1 4Å; E396-F512 HydrophobicContact CB-CE1 4.39Å; E396-F512 WeakPolarHBondContact OE2-CE1 3.39Å; E396-K517 IonicContact OE1-NZ 2.68Å; E396-K517 PolarHBondContact OE1-NZ 3.14Å; E396-K517 IonicContact OE2-NZ 2.77Å; E396-K517 PolarHBondContact OE2-NZ 3.36Å
397	M	89.3	Confident	89.3	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	19%	0.185	C	C	.	.	I	π-helix	trans	-85.5	-36.1	-179.5	-69.6	-50.1	-52.2	0	0	115.1	Y393 L394 K395 Y401 P402 F512 V520 L524	Y393-M397 HydrophobicContact CD2-CG 3.88Å; Y393-M397 HydrophobicContact CE2-CB 4.35Å; Y393-M397 HydrophobicContact CE2-CG 3.29Å; Y393-M397 HydrophobicContact CE2-SD 4.42Å; Y393-M397 PolarHBondContact O-N 3.42Å; L394-M397 PolarHBondContact O-N 3.29Å; K395-M397 VanDerWaalsContact C-N 3.33Å; K395-M397 PolarHBondContact O-N 3.35Å; M397-Y401 HydrophobicContact CE-CD1 3.71Å; M397-Y401 HydrophobicContact CE-CE1 4.3Å; M397-Y401 HydrophobicContact CE-CG 4.12Å; M397-P402 WeakPolarHBondContact O-CD 3.4Å; M397-F512 HydrophobicContact SD-CZ 4.01Å; M397-V520 HydrophobicContact CE-CG1 3.9Å; M397-L524 HydrophobicContact CE-CD2 4.11Å
398	A	89.1	Confident	88.9	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.189	C	C	.	.	I	π-helix	trans	-80.4	-33.6	-177.6	0	0	0	0	0	113.2	L394 K431 M434 V435	L394-A398 WeakPolarHBondContact O-CB 3.32Å; L394-A398 PolarHBondContact O-N 3.3Å; A398-K431 WeakPolarHBondContact O-CG 3.46Å; A398-M434 HydrophobicContact CB-CB 3.73Å; A398-V435 HydrophobicContact CB-CG2 4.05Å
399	V	88.8	Confident	88.6	Confident	55 Å²	55	35.8 Å²	35.8	33%	0.333	17%	0.167	S	C	.	.	I	π-helix	trans	-114.8	-62.6	-170.8	-175	0	0	0	0	110.4	K395 Y401 P402 E403	K395-V399 WeakPolarHBondContact O-CB 3.32Å; K395-V399 PolarHBondContact O-N 3.35Å; K395-V399 VanDerWaalsContact O-N 3.1Å; V399-Y401 PolarHBondContact O-N 2.78Å; V399-P402 WeakPolarHBondContact O-CD 3.41Å; V399-E403 WeakPolarHBondContact CG1-OE1 3.43Å; V399-E403 WeakPolarHBondContact O-CB 3.18Å; V399-E403 WeakPolarHBondContact O-CG 3.49Å; V399-E403 PolarHBondContact O-N 2.82Å; V399-E403 VanDerWaalsContact O-N 3.13Å
400	L	88.9	Confident	88.4	Confident	73 Å²	73	38.5 Å²	38.5	38%	0.382	18%	0.175	S	C	.	.	I	π-helix	trans	-68.8	-39.1	-169	-58.6	-179	0	0	0	113.1	K395 E396 Y404 F507	K395-L400 PolarHBondContact O-N 3.02Å; E396-L400 HydrophobicContact CG-CD1 4.08Å; L400-Y404 VanDerWaalsContact O-CB 3.29Å; L400-Y404 WeakPolarHBondContact O-CB 3.42Å; L400-Y404 PolarHBondContact O-N 3.46Å; L400-F507 HydrophobicContact CB-CE2 4.03Å
401	Y	90	Very high	88	Confident	1 Å²	1	45.8 Å²	45.8	0%	0.004	20%	0.202	C	C	.	.	H	α-helix	trans	-65.1	-52.2	180	176.8	-117.3	0	0	0	113	E396 M397 V399 E403 Y404 M405 V427 L490 T504 F507 V520	E396-Y401 WeakPolarHBondContact O-CB 3.46Å; E396-Y401 PolarHBondContact O-N 3.13Å; M397-Y401 HydrophobicContact CE-CD1 3.71Å; M397-Y401 HydrophobicContact CE-CE1 4.3Å; M397-Y401 HydrophobicContact CE-CG 4.12Å; V399-Y401 PolarHBondContact O-N 2.78Å; Y401-E403 PolarHBondContact O-N 3.46Å; Y401-Y404 PolarHBondContact O-N 2.83Å; Y401-M405 HydrophobicContact CD2-CE 3.84Å; Y401-M405 HydrophobicContact CE2-CE 3.51Å; Y401-M405 HydrophobicContact CE2-CG 4.25Å; Y401-M405 HydrophobicContact CE2-SD 3.95Å; Y401-M405 PolarHBondContact O-N 3.43Å; Y401-M405 VanDerWaalsContact O-N 3.08Å; Y401-V427 HydrophobicContact CD1-CG1 3.81Å; Y401-V427 HydrophobicContact CE1-CB 4.3Å; Y401-V427 HydrophobicContact CE1-CG1 3.65Å; Y401-V427 HydrophobicContact CE1-CG2 3.76Å; Y401-L490 HydrophobicContact CE1-CD1 4.43Å; Y401-T504 HydrophobicContact CE2-CG2 4.01Å; Y401-T504 PolarHBondContact OH-OG1 2.86Å; Y401-F507 VanDerWaalsContact CA-CE2 3.5Å; Y401-F507 HydrophobicContact CD2-CB 4.36Å; Y401-F507 AromaticContact CD2-CD1 3.56Å; Y401-F507 HydrophobicContact CD2-CD1 3.56Å; Y401-F507 HydrophobicContact CD2-CD2 4.2Å; Y401-F507 AromaticContact CD2-CE1 3.79Å; Y401-F507 HydrophobicContact CD2-CE1 3.79Å; Y401-F507 HydrophobicContact CD2-CE2 4.4Å; Y401-F507 AromaticContact CD2-CG 3.79Å; Y401-F507 HydrophobicContact CD2-CG 3.79Å; Y401-F507 HydrophobicContact CD2-CZ 4.22Å; Y401-F507 HydrophobicContact CE2-CD1 4.28Å; Y401-F507 HydrophobicContact CG-CD1 4.4Å; Y401-F507 HydrophobicContact CG-CE1 4.19Å; Y401-F507 HydrophobicContact CG-CZ 4.35Å; Y401-V520 HydrophobicContact CD2-CG2 4.06Å; Y401-V520 HydrophobicContact CE1-CG1 4.04Å; Y401-V520 HydrophobicContact CE2-CG1 4.27Å; Y401-V520 HydrophobicContact CE2-CG2 3.83Å
402	P	90.3	Very high	87.3	Confident	2 Å²	2	49 Å²	49	1%	0.013	22%	0.222	C	C	.	.	H	α-helix	trans	-57.8	-45.7	172.9	-25.6	33.7	0	0	0	113.6	M397 V399 Y404 M405 E406 V427 K431	M397-P402 WeakPolarHBondContact O-CD 3.4Å; V399-P402 WeakPolarHBondContact O-CD 3.41Å; P402-Y404 VanDerWaalsContact C-N 3.27Å; P402-Y404 PolarHBondContact O-N 3.35Å; P402-M405 PolarHBondContact O-N 3.1Å; P402-E406 PolarHBondContact O-N 3.24Å; P402-V427 HydrophobicContact CB-CG1 4.18Å; P402-V427 HydrophobicContact CG-CG1 3.95Å; P402-K431 HydrophobicContact CB-CD 3.95Å; P402-K431 HydrophobicContact CG-CB 3.95Å; P402-K431 HydrophobicContact CG-CD 3.89Å; P402-K431 HydrophobicContact CG-CG 4.22Å
403	E	89.8	Confident	86.7	Confident	63 Å²	63	48.8 Å²	48.8	29%	0.294	24%	0.241	S	C	.	.	H	α-helix	trans	-61.6	-35.6	176.9	-77.8	-172.5	-137.7	0	0	112.4	V399 Y401 E406 R407	V399-E403 WeakPolarHBondContact CG1-OE1 3.43Å; V399-E403 WeakPolarHBondContact O-CB 3.18Å; V399-E403 WeakPolarHBondContact O-CG 3.49Å; V399-E403 PolarHBondContact O-N 2.82Å; V399-E403 VanDerWaalsContact O-N 3.13Å; Y401-E403 PolarHBondContact O-N 3.46Å; E403-E406 PolarHBondContact O-N 2.92Å; E403-R407 VanDerWaalsContact O-CB 3.3Å; E403-R407 WeakPolarHBondContact O-CB 3.41Å; E403-R407 WeakPolarHBondContact O-CD 3.36Å; E403-R407 WeakPolarHBondContact O-CG 3.3Å; E403-R407 PolarHBondContact O-N 2.97Å; E403-R407 IonicContact OE2-CZ 3.51Å; E403-R407 IonicContact OE2-NE 3.63Å; E403-R407 IonicContact OE2-NH2 2.67Å; E403-R407 PolarHBondContact OE2-NH2 3.25Å
404	Y	88.4	Confident	86.3	Confident	28 Å²	28	53.5 Å²	53.5	11%	0.11	26%	0.258	C	S	.	.	H	α-helix	trans	-65.8	-43	175.9	-162.2	-78.5	0	0	0	111.5	L400 Y401 P402 E406 R407 F408 M506 F507 E510	L400-Y404 VanDerWaalsContact O-CB 3.29Å; L400-Y404 WeakPolarHBondContact O-CB 3.42Å; L400-Y404 PolarHBondContact O-N 3.46Å; Y401-Y404 PolarHBondContact O-N 2.83Å; P402-Y404 VanDerWaalsContact C-N 3.27Å; P402-Y404 PolarHBondContact O-N 3.35Å; Y404-E406 VanDerWaalsContact C-N 3.34Å; Y404-E406 PolarHBondContact O-N 3.49Å; Y404-R407 PolarHBondContact O-N 3.3Å; Y404-F408 HydrophobicContact CD1-CB 4.46Å; Y404-F408 HydrophobicContact CE1-CB 4.41Å; Y404-F408 HydrophobicContact CE1-CD2 4Å; Y404-F408 VanDerWaalsContact O-CB 3.29Å; Y404-F408 WeakPolarHBondContact O-CB 3.38Å; Y404-F408 PolarHBondContact O-N 2.94Å; Y404-M506 HydrophobicContact CE1-CB 3.98Å; Y404-M506 WeakPolarHBondContact OH-CB 3.16Å; Y404-F507 HydrophobicContact CD1-CB 4.01Å; Y404-F507 HydrophobicContact CD2-CD2 4.13Å; Y404-F507 HydrophobicContact CE1-CB 4.38Å; Y404-F507 HydrophobicContact CG-CB 4.13Å; Y404-F507 AromaticContact CG-CD2 3.92Å; Y404-F507 HydrophobicContact CG-CD2 3.92Å; Y404-E510 WeakPolarHBondContact CE2-OE2 3.42Å; Y404-E510 VanDerWaalsContact CZ-OE2 3.27Å; Y404-E510 PolarHBondContact OH-OE2 3.01Å
405	M	87.6	Confident	85.9	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60	-45.8	176.7	-64.6	-52.4	96.6	0	0	110.8	Y401 P402 F408 G409 L417 V427 F500 A503 F507	Y401-M405 HydrophobicContact CD2-CE 3.84Å; Y401-M405 HydrophobicContact CE2-CE 3.51Å; Y401-M405 HydrophobicContact CE2-CG 4.25Å; Y401-M405 HydrophobicContact CE2-SD 3.95Å; Y401-M405 PolarHBondContact O-N 3.43Å; Y401-M405 VanDerWaalsContact O-N 3.08Å; P402-M405 PolarHBondContact O-N 3.1Å; M405-F408 PolarHBondContact O-N 3.31Å; M405-G409 PolarHBondContact O-N 2.97Å; M405-L417 HydrophobicContact CB-CD1 4.16Å; M405-L417 HydrophobicContact CB-CD2 3.73Å; M405-L417 HydrophobicContact CB-CG 3.94Å; M405-L417 HydrophobicContact CG-CD2 4.16Å; M405-V427 HydrophobicContact CG-CG1 4.45Å; M405-F500 HydrophobicContact SD-CE2 4.34Å; M405-A503 HydrophobicContact CE-CB 4.02Å; M405-A503 HydrophobicContact SD-CB 3.79Å; M405-F507 HydrophobicContact CE-CB 4.3Å
406	E	87.7	Confident	85.5	Confident	83 Å²	83	54.7 Å²	54.7	39%	0.388	27%	0.268	S	S	.	.	H	α-helix	trans	-63.2	-47.3	178.4	-164.6	-165.8	147.3	0	0	112	P402 E403 Y404 F408 G409 K410 L417	P402-E406 PolarHBondContact O-N 3.24Å; E403-E406 PolarHBondContact O-N 2.92Å; Y404-E406 VanDerWaalsContact C-N 3.34Å; Y404-E406 PolarHBondContact O-N 3.49Å; E406-F408 VanDerWaalsContact C-N 3.28Å; E406-F408 PolarHBondContact O-N 2.97Å; E406-G409 PolarHBondContact O-N 3.4Å; E406-K410 HydrophobicContact CG-CD 4.38Å; E406-K410 WeakPolarHBondContact O-CB 3.5Å; E406-K410 WeakPolarHBondContact O-CG 3.42Å; E406-K410 PolarHBondContact O-N 2.77Å; E406-K410 WeakPolarHBondContact OE1-CE 3.29Å; E406-K410 IonicContact OE1-NZ 2.6Å; E406-K410 PolarHBondContact OE1-NZ 3.31Å; E406-L417 HydrophobicContact CB-CD1 4.06Å
407	R	85.6	Confident	85.2	Confident	155 Å²	155	54.9 Å²	54.9	59%	0.585	27%	0.27	S	S	*	.	H	α-helix	trans	-66.8	-26	176.8	-67.6	168.6	-168.3	-144.1	10.5	112.7	E403 Y404 R411	E403-R407 VanDerWaalsContact O-CB 3.3Å; E403-R407 WeakPolarHBondContact O-CB 3.41Å; E403-R407 WeakPolarHBondContact O-CD 3.36Å; E403-R407 WeakPolarHBondContact O-CG 3.3Å; E403-R407 PolarHBondContact O-N 2.97Å; E403-R407 IonicContact OE2-CZ 3.51Å; E403-R407 IonicContact OE2-NE 3.63Å; E403-R407 IonicContact OE2-NH2 2.67Å; E403-R407 PolarHBondContact OE2-NH2 3.25Å; Y404-R407 PolarHBondContact O-N 3.3Å; R407-R411 WeakPolarHBondContact O-CG 3.38Å; R407-R411 PolarHBondContact O-NE 2.92Å
408	F	83.6	Confident	84.6	Confident	22 Å²	22	56.7 Å²	56.7	10%	0.096	29%	0.285	C	S	.	.	H	α-helix	trans	-78.2	-48.1	173.1	-165.3	-79.1	0	0	0	110.8	Y404 M405 E406 K410 R411 V412 L416 E502 A503 M506	Y404-F408 HydrophobicContact CD1-CB 4.46Å; Y404-F408 HydrophobicContact CE1-CB 4.41Å; Y404-F408 HydrophobicContact CE1-CD2 4Å; Y404-F408 VanDerWaalsContact O-CB 3.29Å; Y404-F408 WeakPolarHBondContact O-CB 3.38Å; Y404-F408 PolarHBondContact O-N 2.94Å; M405-F408 PolarHBondContact O-N 3.31Å; E406-F408 VanDerWaalsContact C-N 3.28Å; E406-F408 PolarHBondContact O-N 2.97Å; F408-K410 VanDerWaalsContact C-N 3.35Å; F408-K410 PolarHBondContact O-N 3.28Å; F408-R411 WeakPolarHBondContact O-CA 3.48Å; F408-R411 WeakPolarHBondContact O-CB 3.45Å; F408-R411 PolarHBondContact O-N 3.01Å; F408-V412 HydrophobicContact CD1-CG2 3.82Å; F408-V412 HydrophobicContact CE1-CG2 3.61Å; F408-V412 HydrophobicContact CZ-CG2 4.46Å; F408-V412 PolarHBondContact O-N 3.44Å; F408-V412 VanDerWaalsContact O-N 3.11Å; F408-L416 HydrophobicContact CD1-CD1 3.82Å; F408-E502 HydrophobicContact CZ-CB 4.47Å; F408-E502 HydrophobicContact CZ-CG 4.16Å; F408-A503 HydrophobicContact CB-CB 3.97Å; F408-A503 HydrophobicContact CD1-CB 3.53Å; F408-A503 HydrophobicContact CD2-CB 4.08Å; F408-A503 HydrophobicContact CE1-CB 3.93Å; F408-A503 HydrophobicContact CE2-CB 4.46Å; F408-A503 HydrophobicContact CG-CB 3.6Å; F408-A503 HydrophobicContact CZ-CB 4.39Å; F408-M506 HydrophobicContact CE2-CG 4.26Å
409	G	83	Confident	83.9	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-55.7	-46.2	176.5	0	0	0	0	0	113	M405 E406 R411 V412 G413 R414	M405-G409 PolarHBondContact O-N 2.97Å; E406-G409 PolarHBondContact O-N 3.4Å; G409-R411 PolarHBondContact O-N 3.03Å; G409-V412 CarbonylContact O-C 3.58Å; G409-V412 PolarHBondContact O-N 3.36Å; G409-G413 PolarHBondContact O-N 3.41Å; G409-R414 CarbonylContact C-O 3.47Å; G409-R414 WeakPolarHBondContact CA-O 3.31Å; G409-R414 PolarHBondContact O-N 3.37Å; G409-R414 VanDerWaalsContact O-N 3.09Å; G409-R414 VanDerWaalsContact O-O 3.05Å
410	K	83.4	Confident	82.7	Confident	152 Å²	152	60.9 Å²	60.9	66%	0.661	31%	0.309	S	S	*	.	H	α-helix	trans	-58.6	-29.9	174.1	-74.3	173.9	175.1	176	0	113.9	E406 F408	E406-K410 HydrophobicContact CG-CD 4.38Å; E406-K410 WeakPolarHBondContact O-CB 3.5Å; E406-K410 WeakPolarHBondContact O-CG 3.42Å; E406-K410 PolarHBondContact O-N 2.77Å; E406-K410 WeakPolarHBondContact OE1-CE 3.29Å; E406-K410 IonicContact OE1-NZ 2.6Å; E406-K410 PolarHBondContact OE1-NZ 3.31Å; F408-K410 VanDerWaalsContact C-N 3.35Å; F408-K410 PolarHBondContact O-N 3.28Å
411	R	79.4	Confident	81.2	Confident	155 Å²	155	65.2 Å²	65.2	59%	0.585	33%	0.332	S	S	*	.	H	α-helix	trans	-79.3	-24.1	174.4	-74.5	178.8	-71.7	167.1	0.1	113.5	R407 F408 G409	R407-R411 WeakPolarHBondContact O-CG 3.38Å; R407-R411 PolarHBondContact O-NE 2.92Å; F408-R411 WeakPolarHBondContact O-CA 3.48Å; F408-R411 WeakPolarHBondContact O-CB 3.45Å; F408-R411 PolarHBondContact O-N 3.01Å; G409-R411 PolarHBondContact O-N 3.03Å
412	V	77.4	Confident	79.8	Confident	73 Å²	73	68.5 Å²	68.5	44%	0.442	37%	0.367	S	S	.	.	H	α-helix	trans	-92.5	-12.6	177.6	178.1	0	0	0	0	111.8	F408 G409 E499	F408-V412 HydrophobicContact CD1-CG2 3.82Å; F408-V412 HydrophobicContact CE1-CG2 3.61Å; F408-V412 HydrophobicContact CZ-CG2 4.46Å; F408-V412 PolarHBondContact O-N 3.44Å; F408-V412 VanDerWaalsContact O-N 3.11Å; G409-V412 CarbonylContact O-C 3.58Å; G409-V412 PolarHBondContact O-N 3.36Å; V412-E499 HydrophobicContact CG1-CG 4.33Å
413	G	76.7	Confident	78.6	Confident	74 Å²	74	75 Å²	75	76%	0.763	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	20	-177.2	0	0	0	0	0	113.7	G409	G409-G413 PolarHBondContact O-N 3.41Å
414	R	81.6	Confident	78	Confident	101 Å²	101	75.7 Å²	75.7	38%	0.381	40%	0.4	S	S	.	.	S	Bend	trans	-138.9	133.6	-175.6	-179	175.3	176	-129.9	-15.2	110.3	G409 L416 D497 E499	G409-R414 CarbonylContact C-O 3.47Å; G409-R414 WeakPolarHBondContact CA-O 3.31Å; G409-R414 PolarHBondContact O-N 3.37Å; G409-R414 VanDerWaalsContact O-N 3.09Å; G409-R414 VanDerWaalsContact O-O 3.05Å; R414-L416 PolarHBondContact O-N 3.4Å; R414-D497 IonicContact CZ-OD2 3.18Å; R414-D497 IonicContact NH1-OD1 3.58Å; R414-D497 PolarHBondContact NH1-OD1 2.95Å; R414-D497 IonicContact NH1-OD2 3.71Å; R414-D497 PolarHBondContact NH1-OD2 2.86Å; R414-D497 IonicContact NH2-OD2 3.48Å; R414-D497 PolarHBondContact NH2-OD2 3.33Å; R414-E499 IonicContact NH1-OE2 3.67Å
415	D	83.6	Confident	78	Confident	96 Å²	96	74.5 Å²	74.5	51%	0.513	40%	0.396	S	S	.	.			trans	-74	117.1	171.7	-173.9	7.6	0	0	0	110.4	L417 A418	D415-L417 WeakPolarHBondContact OD1-CA 3.45Å; D415-L417 PolarHBondContact OD1-N 2.86Å; D415-A418 HydrophobicContact CB-CB 4.13Å; D415-A418 PolarHBondContact OD1-N 3.19Å; D415-A418 PolarHBondContact OD2-N 3.03Å
416	L	81.8	Confident	77.9	Confident	2 Å²	2	74.8 Å²	74.8	1%	0.01	40%	0.397	C	S	.	.	S	Bend	trans	-92.4	-5	177.2	-61.5	179.7	0	0	0	112.6	F408 R414 N425 E499 F500 A503	F408-L416 HydrophobicContact CD1-CD1 3.82Å; R414-L416 PolarHBondContact O-N 3.4Å; L416-N425 PolarHBondContact O-ND2 3.48Å; L416-E499 HydrophobicContact CD2-CB 3.98Å; L416-F500 HydrophobicContact CB-CD2 4.47Å; L416-A503 HydrophobicContact CD1-CB 3.9Å
417	L	82.7	Confident	77.9	Confident	16 Å²	16	70.9 Å²	70.9	8%	0.084	38%	0.379	C	S	.	.	S	Bend	trans	-109	4.5	176	-63.6	-179.3	0	0	0	112.7	M405 E406 D415 N425 V427 L428	M405-L417 HydrophobicContact CB-CD1 4.16Å; M405-L417 HydrophobicContact CB-CD2 3.73Å; M405-L417 HydrophobicContact CB-CG 3.94Å; M405-L417 HydrophobicContact CG-CD2 4.16Å; E406-L417 HydrophobicContact CB-CD1 4.06Å; D415-L417 WeakPolarHBondContact OD1-CA 3.45Å; D415-L417 PolarHBondContact OD1-N 2.86Å; L417-N425 VanDerWaalsContact O-CB 3.24Å; L417-N425 WeakPolarHBondContact O-CB 3.25Å; L417-V427 HydrophobicContact CD2-CB 3.77Å; L417-V427 HydrophobicContact CD2-CG1 3.89Å; L417-V427 HydrophobicContact CD2-CG2 4.29Å; L417-L428 HydrophobicContact CB-CD1 4.48Å; L417-L428 HydrophobicContact CD1-CD2 4.28Å
418	A	77.9	Confident	78.1	Confident	39 Å²	39	65.8 Å²	65.8	32%	0.322	36%	0.363	S	S	.	.	S	Bend	trans	-54.9	150.9	174	0	0	0	0	0	112.2	D415 H420 N425	D415-A418 HydrophobicContact CB-CB 4.13Å; D415-A418 PolarHBondContact OD1-N 3.19Å; D415-A418 PolarHBondContact OD2-N 3.03Å; A418-H420 PolarHBondContact O-CD2 2.97Å; A418-H420 PolarHBondContact O-N 3.44Å; A418-N425 PolarHBondContact O-ND2 2.94Å
419	S	73.7	Confident	78.4	Confident	77 Å²	77	67 Å²	67	54%	0.538	37%	0.369	S	S	.	.			trans	-68	111.3	177.1	-62.3	0	0	0	0	111.3	H423	S419-H423 CarbonylContact C-O 3.09Å; S419-H423 WeakPolarHBondContact CA-O 3.13Å; S419-H423 WeakPolarHBondContact CB-O 3.42Å
420	H	62.6	Low	78.7	Confident	66 Å²	66	67.1 Å²	67.1	31%	0.306	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-74.3	127.7	173.5	-77	-107.6	0	0	0	109.7	A418 G422 H423	A418-H420 PolarHBondContact O-CD2 2.97Å; A418-H420 PolarHBondContact O-N 3.44Å; H420-G422 PolarHBondContact O-N 2.91Å; H420-H423 PolarHBondContact N-O 3.25Å; H420-H423 PolarHBondContact O-N 3.17Å
421	N	58.6	Low	79	Confident	163 Å²	163	63.5 Å²	63.5	87%	0.872	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	29.1	177.8	-55.7	-11.8	0	0	0	114.5
422	G	60.7	Low	79.5	Confident	71 Å²	71	61.6 Å²	61.6	73%	0.732	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.2	-4.1	-177.8	0	0	0	0	0	115.6	H420	H420-G422 PolarHBondContact O-N 2.91Å
423	H	65.4	Low	80.1	Confident	139 Å²	139	59.2 Å²	59.2	64%	0.644	33%	0.334	S	S	*	.	B	Isolated β-bridge	trans	-97.4	144.2	178.8	-70.6	-121.3	0	0	0	111.7	S419 H420 N425	S419-H423 CarbonylContact C-O 3.09Å; S419-H423 WeakPolarHBondContact CA-O 3.13Å; S419-H423 WeakPolarHBondContact CB-O 3.42Å; H420-H423 PolarHBondContact N-O 3.25Å; H420-H423 PolarHBondContact O-N 3.17Å; H423-N425 PolarHBondContact O-N 3.45Å
424	E	77.6	Confident	80.7	Confident	77 Å²	77	55.7 Å²	55.7	36%	0.36	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-53.6	133.1	175.7	179.9	171.8	-154.3	0	0	110.6	L428 Q429 K432	E424-L428 HydrophobicContact CG-CB 3.85Å; E424-Q429 HydrophobicContact CB-CG 4.21Å; E424-Q429 HydrophobicContact CG-CG 3.99Å; E424-Q429 PolarHBondContact O-NE2 2.75Å; E424-K432 IonicContact OE1-NZ 2.74Å; E424-K432 IonicContact OE2-NZ 2.72Å; E424-K432 PolarHBondContact OE2-NZ 3.11Å
425	N	86.8	Confident	81.1	Confident	3 Å²	3	54.2 Å²	54.2	2%	0.016	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-59.3	140.2	-177.5	-172.5	-64.1	0	0	0	111.8	L416 L417 A418 H423 V427 L428 Q429	L416-N425 PolarHBondContact O-ND2 3.48Å; L417-N425 VanDerWaalsContact O-CB 3.24Å; L417-N425 WeakPolarHBondContact O-CB 3.25Å; A418-N425 PolarHBondContact O-ND2 2.94Å; H423-N425 PolarHBondContact O-N 3.45Å; N425-V427 PolarHBondContact O-N 3.19Å; N425-V427 VanDerWaalsContact O-N 3.08Å; N425-V427 PolarHBondContact OD1-N 3.29Å; N425-L428 HydrophobicContact CB-CD1 4.21Å; N425-L428 HydrophobicContact CB-CG 4.27Å; N425-L428 WeakPolarHBondContact O-CA 3.42Å; N425-L428 WeakPolarHBondContact O-CB 3.06Å; N425-L428 PolarHBondContact O-N 2.63Å; N425-Q429 PolarHBondContact O-N 3.37Å
426	V	86.7	Confident	81.3	Confident	5 Å²	5	54.2 Å²	54.2	3%	0.03	30%	0.297	C	S	.	.	H	α-helix	trans	-55.8	-32.9	-175.7	76.4	0	0	0	0	112.8	L428 Q429 I430 F486 K489 L490 L493	V426-L428 VanDerWaalsContact C-N 3.32Å; V426-L428 PolarHBondContact O-N 3.11Å; V426-Q429 PolarHBondContact O-N 3.04Å; V426-I430 HydrophobicContact CG2-CD1 4.17Å; V426-I430 WeakPolarHBondContact O-CD1 3.46Å; V426-I430 VanDerWaalsContact O-CG1 3.24Å; V426-I430 WeakPolarHBondContact O-CG1 3.34Å; V426-I430 PolarHBondContact O-N 3.14Å; V426-F486 HydrophobicContact CG2-CB 4.39Å; V426-F486 HydrophobicContact CG2-CD1 3.9Å; V426-K489 HydrophobicContact CB-CB 4.2Å; V426-K489 HydrophobicContact CG2-CB 3.77Å; V426-L490 HydrophobicContact CG1-CB 4.01Å; V426-L490 HydrophobicContact CG1-CD1 4.25Å; V426-L490 HydrophobicContact CG1-CG 4.32Å; V426-L493 HydrophobicContact CB-CD1 4.35Å; V426-L493 HydrophobicContact CG1-CD1 3.64Å
427	V	88.1	Confident	81.8	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.006	30%	0.297	C	S	.	.	H	α-helix	trans	-67.4	-34.6	177.8	-179.5	0	0	0	0	111.5	Y401 P402 M405 L417 N425 K431 F500	Y401-V427 HydrophobicContact CD1-CG1 3.81Å; Y401-V427 HydrophobicContact CE1-CB 4.3Å; Y401-V427 HydrophobicContact CE1-CG1 3.65Å; Y401-V427 HydrophobicContact CE1-CG2 3.76Å; P402-V427 HydrophobicContact CB-CG1 4.18Å; P402-V427 HydrophobicContact CG-CG1 3.95Å; M405-V427 HydrophobicContact CG-CG1 4.45Å; L417-V427 HydrophobicContact CD2-CB 3.77Å; L417-V427 HydrophobicContact CD2-CG1 3.89Å; L417-V427 HydrophobicContact CD2-CG2 4.29Å; N425-V427 PolarHBondContact O-N 3.19Å; N425-V427 VanDerWaalsContact O-N 3.08Å; N425-V427 PolarHBondContact OD1-N 3.29Å; V427-K431 WeakPolarHBondContact O-CB 3.32Å; V427-K431 PolarHBondContact O-N 3.31Å; V427-F500 HydrophobicContact CG2-CE2 3.82Å; V427-F500 HydrophobicContact CG2-CZ 3.63Å
428	L	88.9	Confident	82.2	Confident	48 Å²	48	54.4 Å²	54.4	25%	0.251	30%	0.298	S	S	.	.	H	α-helix	trans	-74.4	-39.9	175.5	-60.9	178	0	0	0	111.3	L417 E424 N425 V426 I430 K431 K432	L417-L428 HydrophobicContact CB-CD1 4.48Å; L417-L428 HydrophobicContact CD1-CD2 4.28Å; E424-L428 HydrophobicContact CG-CB 3.85Å; N425-L428 HydrophobicContact CB-CD1 4.21Å; N425-L428 HydrophobicContact CB-CG 4.27Å; N425-L428 WeakPolarHBondContact O-CA 3.42Å; N425-L428 WeakPolarHBondContact O-CB 3.06Å; N425-L428 PolarHBondContact O-N 2.63Å; V426-L428 VanDerWaalsContact C-N 3.32Å; V426-L428 PolarHBondContact O-N 3.11Å; L428-I430 PolarHBondContact O-N 2.77Å; L428-K431 HydrophobicContact CD2-CD 4.48Å; L428-K431 WeakPolarHBondContact O-CB 3.2Å; L428-K431 PolarHBondContact O-N 2.79Å; L428-K432 WeakPolarHBondContact O-CB 3.45Å; L428-K432 PolarHBondContact O-N 3.38Å
429	Q	89.2	Confident	82.8	Confident	49 Å²	49	54.4 Å²	54.4	23%	0.229	30%	0.295	C	S	.	.	H	α-helix	trans	-58.7	-46.7	172.3	-60.2	-177.8	26.1	0	0	111.5	E424 N425 V426 K432 I433 F486	E424-Q429 HydrophobicContact CB-CG 4.21Å; E424-Q429 HydrophobicContact CG-CG 3.99Å; E424-Q429 PolarHBondContact O-NE2 2.75Å; N425-Q429 PolarHBondContact O-N 3.37Å; V426-Q429 PolarHBondContact O-N 3.04Å; Q429-K432 PolarHBondContact O-N 3.48Å; Q429-I433 PolarHBondContact O-N 3.21Å; Q429-F486 HydrophobicContact CB-CE1 3.85Å; Q429-F486 HydrophobicContact CB-CZ 4.49Å
430	I	89.1	Confident	83.7	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-61.7	-47.9	175.6	-67	163	0	0	0	110.6	V426 L428 K432 I433 M434 F479 F486 L490 L524	V426-I430 HydrophobicContact CG2-CD1 4.17Å; V426-I430 WeakPolarHBondContact O-CD1 3.46Å; V426-I430 VanDerWaalsContact O-CG1 3.24Å; V426-I430 WeakPolarHBondContact O-CG1 3.34Å; V426-I430 PolarHBondContact O-N 3.14Å; L428-I430 PolarHBondContact O-N 2.77Å; I430-K432 VanDerWaalsContact C-N 3.33Å; I430-K432 PolarHBondContact O-N 3.02Å; I430-I433 PolarHBondContact O-N 3.07Å; I430-M434 HydrophobicContact CG2-CE 4.09Å; I430-M434 HydrophobicContact CG2-CG 3.9Å; I430-M434 WeakPolarHBondContact O-CB 3.49Å; I430-M434 WeakPolarHBondContact O-CG 3.28Å; I430-M434 PolarHBondContact O-N 2.34Å; I430-F479 HydrophobicContact CG1-CE2 4.47Å; I430-F479 HydrophobicContact CG2-CE2 4.3Å; I430-F486 HydrophobicContact CD1-CB 4.14Å; I430-F486 HydrophobicContact CD1-CG 4.41Å; I430-F486 HydrophobicContact CG1-CB 4.14Å; I430-F486 HydrophobicContact CG1-CD1 4.08Å; I430-F486 HydrophobicContact CG1-CD2 4.16Å; I430-F486 HydrophobicContact CG1-CG 3.87Å; I430-L490 HydrophobicContact CD1-CD1 4.03Å; I430-L524 HydrophobicContact CD1-CD1 4.14Å; I430-L524 HydrophobicContact CD1-CD2 4.32Å; I430-L524 HydrophobicContact CG2-CD2 4.32Å
431	K	90.8	Very high	85.1	Confident	76 Å²	76	48 Å²	48	33%	0.33	26%	0.257	S	S	.	.	H	α-helix	trans	-52.3	-50.1	176.2	171.6	176	-169.9	175.8	0	111.7	A398 P402 V427 L428 I433 M434 V435	A398-K431 WeakPolarHBondContact O-CG 3.46Å; P402-K431 HydrophobicContact CB-CD 3.95Å; P402-K431 HydrophobicContact CG-CB 3.95Å; P402-K431 HydrophobicContact CG-CD 3.89Å; P402-K431 HydrophobicContact CG-CG 4.22Å; V427-K431 WeakPolarHBondContact O-CB 3.32Å; V427-K431 PolarHBondContact O-N 3.31Å; L428-K431 HydrophobicContact CD2-CD 4.48Å; L428-K431 WeakPolarHBondContact O-CB 3.2Å; L428-K431 PolarHBondContact O-N 2.79Å; K431-I433 VanDerWaalsContact C-N 3.31Å; K431-I433 PolarHBondContact O-N 2.73Å; K431-M434 PolarHBondContact O-N 3.13Å; K431-V435 HydrophobicContact CG-CG2 4.25Å; K431-V435 WeakPolarHBondContact O-CB 3.46Å; K431-V435 VanDerWaalsContact O-CG2 3.28Å; K431-V435 WeakPolarHBondContact O-CG2 3.48Å; K431-V435 PolarHBondContact O-N 3.47Å
432	K	89.9	Confident	86.7	Confident	116 Å²	116	42.8 Å²	42.8	50%	0.504	23%	0.227	S	C	.	.	H	α-helix	trans	-56.8	-40.4	-175.7	-170.4	174.8	-172.9	170	0	112.9	E424 L428 Q429 I430 Q436	E424-K432 IonicContact OE1-NZ 2.74Å; E424-K432 IonicContact OE2-NZ 2.72Å; E424-K432 PolarHBondContact OE2-NZ 3.11Å; L428-K432 WeakPolarHBondContact O-CB 3.45Å; L428-K432 PolarHBondContact O-N 3.38Å; Q429-K432 PolarHBondContact O-N 3.48Å; I430-K432 VanDerWaalsContact C-N 3.33Å; I430-K432 PolarHBondContact O-N 3.02Å; K432-Q436 WeakPolarHBondContact O-CG 3.39Å
433	I	89.8	Confident	88.1	Confident	22 Å²	22	41 Å²	41	11%	0.113	20%	0.2	C	C	.	.	H	α-helix	trans	-82.2	-40.7	177.4	-49.8	173.6	0	0	0	111.2	Q429 I430 K431 V435 Q436 I437 P478 F479 F486	Q429-I433 PolarHBondContact O-N 3.21Å; I430-I433 PolarHBondContact O-N 3.07Å; K431-I433 VanDerWaalsContact C-N 3.31Å; K431-I433 PolarHBondContact O-N 2.73Å; I433-V435 VanDerWaalsContact C-N 3.28Å; I433-V435 PolarHBondContact O-N 2.79Å; I433-Q436 WeakPolarHBondContact O-CB 3.5Å; I433-Q436 PolarHBondContact O-N 2.94Å; I433-I437 HydrophobicContact CG2-CD1 4.17Å; I433-I437 PolarHBondContact O-N 2.86Å; I433-P478 HydrophobicContact CG2-CB 4.34Å; I433-F479 HydrophobicContact CG2-CB 3.77Å; I433-F486 HydrophobicContact CD1-CE2 3.94Å; I433-F486 HydrophobicContact CD1-CZ 3.69Å
434	M	89.5	Confident	89.4	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.3	-34.9	178.8	-68.8	-77.5	179.3	0	0	112.8	Y393 L394 A398 I430 K431 Q436 I437 L438 F479 V527	Y393-M434 WeakPolarHBondContact OH-CE 3.1Å; L394-M434 HydrophobicContact CD2-SD 3.58Å; L394-M434 VanDerWaalsContact CD2-SD 3.58Å; A398-M434 HydrophobicContact CB-CB 3.73Å; I430-M434 HydrophobicContact CG2-CE 4.09Å; I430-M434 HydrophobicContact CG2-CG 3.9Å; I430-M434 WeakPolarHBondContact O-CB 3.49Å; I430-M434 WeakPolarHBondContact O-CG 3.28Å; I430-M434 PolarHBondContact O-N 2.34Å; K431-M434 PolarHBondContact O-N 3.13Å; M434-Q436 VanDerWaalsContact C-N 3.25Å; M434-Q436 PolarHBondContact O-N 2.83Å; M434-I437 PolarHBondContact O-N 2.77Å; M434-L438 WeakPolarHBondContact O-CB 3.46Å; M434-L438 PolarHBondContact O-N 3.25Å; M434-F479 HydrophobicContact CE-CD1 4.25Å; M434-F479 HydrophobicContact CE-CD2 3.77Å; M434-F479 HydrophobicContact CE-CE1 3.91Å; M434-F479 HydrophobicContact CE-CE2 3.4Å; M434-F479 VanDerWaalsContact CE-CE2 3.4Å; M434-F479 HydrophobicContact CE-CG 4.18Å; M434-F479 HydrophobicContact CE-CZ 3.47Å; M434-F479 VanDerWaalsContact CE-CZ 3.47Å; M434-V527 HydrophobicContact CE-CG2 3.7Å; M434-V527 HydrophobicContact SD-CG2 4.07Å
435	V	89.8	Confident	90.2	Very high	71 Å²	71	32 Å²	32	43%	0.43	16%	0.159	S	C	.	.	H	α-helix	trans	-65.5	-25.6	173.7	169.8	0	0	0	0	112.4	A398 K431 I433 P439	A398-V435 HydrophobicContact CB-CG2 4.05Å; K431-V435 HydrophobicContact CG-CG2 4.25Å; K431-V435 WeakPolarHBondContact O-CB 3.46Å; K431-V435 VanDerWaalsContact O-CG2 3.28Å; K431-V435 WeakPolarHBondContact O-CG2 3.48Å; K431-V435 PolarHBondContact O-N 3.47Å; I433-V435 VanDerWaalsContact C-N 3.28Å; I433-V435 PolarHBondContact O-N 2.79Å; V435-P439 WeakPolarHBondContact O-CD 3.36Å
436	Q	88.6	Confident	90.5	Very high	96 Å²	96	37.9 Å²	37.9	45%	0.449	18%	0.184	S	C	.	.	H	α-helix	trans	-79.8	-33.9	174.3	-63.5	170.4	-6.2	0	0	112.2	F184 K432 I433 M434	F184-Q436 HydrophobicContact CE1-CB 4.42Å; K432-Q436 WeakPolarHBondContact O-CG 3.39Å; I433-Q436 WeakPolarHBondContact O-CB 3.5Å; I433-Q436 PolarHBondContact O-N 2.94Å; M434-Q436 VanDerWaalsContact C-N 3.25Å; M434-Q436 PolarHBondContact O-N 2.83Å
437	I	91.6	Very high	90.7	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-73.9	-39.8	178.5	-63.3	168.3	0	0	0	111.3	L394 I433 M434 I440 H441 F479	L394-I437 HydrophobicContact CD1-CG2 3.97Å; L394-I437 HydrophobicContact CD2-CG2 4.09Å; I433-I437 HydrophobicContact CG2-CD1 4.17Å; I433-I437 PolarHBondContact O-N 2.86Å; M434-I437 PolarHBondContact O-N 2.77Å; I437-I440 PolarHBondContact O-N 3.02Å; I437-H441 PolarHBondContact O-CD2 2.94Å; I437-H441 PolarHBondContact O-N 3.42Å; I437-F479 HydrophobicContact CD1-CB 3.91Å
438	L	91.6	Very high	90.9	Very high	21 Å²	21	38 Å²	38	11%	0.11	18%	0.184	C	C	.	.	H	α-helix	trans	-54.1	-50.6	-172.3	173.5	63.5	0	0	0	114.6	V391 L394 K395 M434 I440 H441 E442	V391-L438 HydrophobicContact CG1-CD1 4.15Å; L394-L438 HydrophobicContact CB-CB 4.38Å; L394-L438 HydrophobicContact CB-CD1 3.8Å; L394-L438 HydrophobicContact CD1-CD1 4.46Å; K395-L438 HydrophobicContact CG-CD1 3.94Å; K395-L438 HydrophobicContact CG-CD2 3.97Å; M434-L438 WeakPolarHBondContact O-CB 3.46Å; M434-L438 PolarHBondContact O-N 3.25Å; L438-I440 VanDerWaalsContact C-N 3.33Å; L438-I440 PolarHBondContact O-N 3.1Å; L438-H441 PolarHBondContact O-N 3.25Å; L438-E442 HydrophobicContact CD1-CG 3.86Å; L438-E442 HydrophobicContact CG-CG 4.35Å; L438-E442 PolarHBondContact O-N 2.71Å
439	P	90.7	Very high	91	Very high	40 Å²	40	39.4 Å²	39.4	26%	0.26	19%	0.192	S	C	.	.	H	α-helix	trans	-60.9	-37.8	-177.1	-25.3	35.2	0	0	0	113.7	V435 H441 E442 M443	V435-P439 WeakPolarHBondContact O-CD 3.36Å; P439-H441 VanDerWaalsContact C-N 3.35Å; P439-E442 PolarHBondContact O-N 3.39Å; P439-M443 WeakPolarHBondContact O-CG 3.46Å; P439-M443 PolarHBondContact O-N 3.01Å
440	I	91.2	Very high	91.1	Very high	7 Å²	7	42.8 Å²	42.8	4%	0.036	21%	0.206	C	C	.	.	H	α-helix	trans	-65.3	-42	179	-65.8	167.5	0	0	0	110	L179 I437 L438 M443 L444 F472 C475	L179-I440 HydrophobicContact CD2-CG1 3.99Å; I437-I440 PolarHBondContact O-N 3.02Å; L438-I440 VanDerWaalsContact C-N 3.33Å; L438-I440 PolarHBondContact O-N 3.1Å; I440-M443 PolarHBondContact O-N 3.43Å; I440-L444 PolarHBondContact O-N 3.18Å; I440-F472 HydrophobicContact CG2-CB 4.03Å; I440-C475 HydrophobicContact CD1-CB 3.52Å
441	H	92.3	Very high	91.2	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-74.7	-27.2	176.2	-74.9	-89.2	0	0	0	113.2	Q387 Y390 V391 L394 I437 L438 P439 L445 L473 Y534	Q387-H441 PolarHBondContact NE2-ND1 2.61Å; Q387-H441 PolarHBondContact NE2-O 3.25Å; Y390-H441 AromaticContact CD1-ND1 3.55Å; Y390-H441 AromaticContact CE1-CE1 3.54Å; Y390-H441 AromaticContact CE1-CG 3.74Å; Y390-H441 AromaticContact CE1-ND1 3.39Å; Y390-H441 WeakPolarHBondContact CE1-ND1 3.17Å; Y390-H441 AromaticContact CE1-NE2 3.91Å; V391-H441 HydrophobicContact CG2-CB 4.03Å; V391-H441 WeakPolarHBondContact CG2-O 3.24Å; L394-H441 HydrophobicContact CD1-CB 3.93Å; I437-H441 PolarHBondContact O-CD2 2.94Å; I437-H441 PolarHBondContact O-N 3.42Å; L438-H441 PolarHBondContact O-N 3.25Å; P439-H441 VanDerWaalsContact C-N 3.35Å; H441-L445 WeakPolarHBondContact O-CB 3.38Å; H441-L445 PolarHBondContact O-N 2.96Å; H441-L473 VanDerWaalsContact CE1-CD2 3.44Å; H441-L473 WeakPolarHBondContact CE1-CD2 3.49Å; H441-Y534 AromaticContact CE1-CE2 3.98Å; H441-Y534 AromaticContact CE1-CZ 3.92Å; H441-Y534 PolarHBondContact CE1-OH 2.67Å; H441-Y534 PolarHBondContact ND1-OH 2.88Å
442	E	92.6	Very high	91.1	Very high	54 Å²	54	40.8 Å²	40.8	25%	0.252	20%	0.201	S	C	.	.	H	α-helix	trans	-68.5	-36.1	168	-71.7	-159.4	127.8	0	0	113	V391 K395 L438 P439 L445 K446	V391-E442 HydrophobicContact CG1-CG 3.81Å; V391-E442 HydrophobicContact CG2-CG 4.45Å; K395-E442 WeakPolarHBondContact CE-OE1 3.49Å; K395-E442 IonicContact NZ-OE1 2.93Å; K395-E442 PolarHBondContact NZ-OE1 2.88Å; L438-E442 HydrophobicContact CD1-CG 3.86Å; L438-E442 HydrophobicContact CG-CG 4.35Å; L438-E442 PolarHBondContact O-N 2.71Å; P439-E442 PolarHBondContact O-N 3.39Å; E442-L445 PolarHBondContact O-N 3.36Å; E442-K446 WeakPolarHBondContact O-CG 3.29Å; E442-K446 PolarHBondContact O-N 2.92Å; E442-K446 VanDerWaalsContact O-N 3.12Å
443	M	90.8	Very high	91	Very high	32 Å²	32	38.8 Å²	38.8	16%	0.158	20%	0.201	C	C	.	.	H	α-helix	trans	-67.4	-45.6	173.2	-74	179.7	63	0	0	111.4	R175 L179 P439 I440 L445 K446 E447 F469	R175-M443 HydrophobicContact CB-CE 3.89Å; R175-M443 HydrophobicContact CG-CE 4.38Å; L179-M443 HydrophobicContact CD1-CE 4.25Å; L179-M443 HydrophobicContact CD2-CE 4.13Å; L179-M443 HydrophobicContact CD2-SD 3.58Å; L179-M443 VanDerWaalsContact CD2-SD 3.58Å; L179-M443 HydrophobicContact CG-CE 3.94Å; L179-M443 HydrophobicContact CG-SD 4.09Å; P439-M443 WeakPolarHBondContact O-CG 3.46Å; P439-M443 PolarHBondContact O-N 3.01Å; I440-M443 PolarHBondContact O-N 3.43Å; M443-L445 VanDerWaalsContact C-N 3.29Å; M443-L445 PolarHBondContact O-N 2.81Å; M443-K446 PolarHBondContact O-N 3.41Å; M443-K446 VanDerWaalsContact O-N 3.16Å; M443-E447 PolarHBondContact O-N 2.89Å; M443-E447 VanDerWaalsContact O-N 3.11Å; M443-F469 HydrophobicContact CB-CE1 4.05Å; M443-F469 HydrophobicContact CB-CZ 4.25Å
444	L	92.6	Very high	90.9	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.016	23%	0.228	C	C	.	.	H	α-helix	trans	-60	-38	173.7	176.4	56.3	0	0	0	112	I440 E447 I448 T465 I466 F469 Y534	I440-L444 PolarHBondContact O-N 3.18Å; L444-E447 PolarHBondContact O-N 2.9Å; L444-I448 HydrophobicContact CD1-CD1 3.64Å; L444-I448 HydrophobicContact CD1-CG1 3.93Å; L444-I448 HydrophobicContact CG-CD1 3.77Å; L444-I448 HydrophobicContact CG-CG1 4.47Å; L444-I448 WeakPolarHBondContact O-CB 3.28Å; L444-I448 VanDerWaalsContact O-CG1 3.31Å; L444-I448 WeakPolarHBondContact O-CG1 3.38Å; L444-I448 PolarHBondContact O-N 2.97Å; L444-T465 HydrophobicContact CD1-CG2 4.38Å; L444-I466 HydrophobicContact CD1-CD1 4.19Å; L444-F469 HydrophobicContact CB-CD1 3.77Å; L444-F469 HydrophobicContact CB-CE1 3.93Å; L444-F469 HydrophobicContact CB-CG 4.14Å; L444-F469 HydrophobicContact CB-CZ 4.43Å; L444-F469 HydrophobicContact CD1-CB 3.85Å; L444-F469 HydrophobicContact CD1-CD1 4.24Å; L444-F469 HydrophobicContact CD1-CD2 3.79Å; L444-F469 HydrophobicContact CD1-CE2 4.38Å; L444-F469 HydrophobicContact CD1-CG 3.7Å; L444-F469 HydrophobicContact CD2-CB 4.28Å; L444-F469 HydrophobicContact CG-CD1 4.44Å; L444-F469 HydrophobicContact CG-CG 4.35Å; L444-Y534 HydrophobicContact CD2-CE1 4.15Å
445	L	93.3	Very high	90.8	Very high	26 Å²	26	44.9 Å²	44.9	14%	0.136	23%	0.233	C	C	.	.	H	α-helix	trans	-60	-46.9	173.9	-178.9	56.8	0	0	0	111.5	L384 Q387 N388 V391 H441 E442 M443 E447 I448 D449	L384-L445 HydrophobicContact CD1-CD1 3.73Å; Q387-L445 HydrophobicContact CB-CD1 4.03Å; Q387-L445 HydrophobicContact CG-CB 3.74Å; Q387-L445 HydrophobicContact CG-CD1 3.82Å; Q387-L445 HydrophobicContact CG-CG 4.34Å; N388-L445 HydrophobicContact CB-CD1 4.09Å; V391-L445 HydrophobicContact CB-CD2 4.09Å; V391-L445 HydrophobicContact CG1-CD2 4.17Å; V391-L445 HydrophobicContact CG2-CB 4.21Å; V391-L445 HydrophobicContact CG2-CD2 4.01Å; H441-L445 WeakPolarHBondContact O-CB 3.38Å; H441-L445 PolarHBondContact O-N 2.96Å; E442-L445 PolarHBondContact O-N 3.36Å; M443-L445 VanDerWaalsContact C-N 3.29Å; M443-L445 PolarHBondContact O-N 2.81Å; L445-E447 VanDerWaalsContact C-N 3.34Å; L445-E447 PolarHBondContact O-N 3.16Å; L445-I448 PolarHBondContact O-N 3.2Å; L445-D449 WeakPolarHBondContact O-CB 3.41Å; L445-D449 PolarHBondContact O-N 2.87Å
446	K	92.7	Very high	90.6	Very high	126 Å²	126	43.4 Å²	43.4	55%	0.548	22%	0.222	S	C	.	.	H	α-helix	trans	-64.4	-34	-179.7	-71	164.7	-177.9	170.7	0	113.3	E442 M443 K450	E442-K446 WeakPolarHBondContact O-CG 3.29Å; E442-K446 PolarHBondContact O-N 2.92Å; E442-K446 VanDerWaalsContact O-N 3.12Å; M443-K446 PolarHBondContact O-N 3.41Å; M443-K446 VanDerWaalsContact O-N 3.16Å; K446-K450 VanDerWaalsContact O-CB 3.27Å; K446-K450 WeakPolarHBondContact O-CB 3.26Å; K446-K450 PolarHBondContact O-N 2.93Å; K446-K450 VanDerWaalsContact O-N 3.15Å
447	E	91.8	Very high	90.4	Very high	8 Å²	8	38.9 Å²	38.9	4%	0.037	20%	0.201	C	C	.	.	H	α-helix	trans	-77.5	-36.9	175.7	-60.9	-60.8	162.1	0	0	112.5	R175 M443 L444 L445 V451 T465 F469	R175-E447 WeakPolarHBondContact CD-OE1 3.45Å; R175-E447 IonicContact CZ-OE1 3.34Å; R175-E447 IonicContact NE-OE1 2.73Å; R175-E447 IonicContact NH1-OE1 3.01Å; R175-E447 PolarHBondContact NH1-OE1 3.01Å; M443-E447 PolarHBondContact O-N 2.89Å; M443-E447 VanDerWaalsContact O-N 3.11Å; L444-E447 PolarHBondContact O-N 2.9Å; L445-E447 VanDerWaalsContact C-N 3.34Å; L445-E447 PolarHBondContact O-N 3.16Å; E447-V451 WeakPolarHBondContact O-CG2 3.38Å; E447-V451 PolarHBondContact O-N 3.43Å; E447-T465 HydrophobicContact CB-CG2 3.76Å; E447-F469 HydrophobicContact CB-CE2 4.3Å; E447-F469 HydrophobicContact CG-CE2 3.93Å; E447-F469 HydrophobicContact CG-CZ 4.11Å
448	I	91.8	Very high	90	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.4	-44.4	173	-68.2	167.8	0	0	0	110.6	F383 L384 Q387 L444 L445 K450 V451 C452 M462 T465 I466	F383-I448 HydrophobicContact CB-CD1 4.45Å; F383-I448 HydrophobicContact CB-CG2 4.08Å; L384-I448 HydrophobicContact CB-CG2 3.86Å; L384-I448 HydrophobicContact CD1-CG2 4.25Å; Q387-I448 HydrophobicContact CB-CD1 4.09Å; Q387-I448 HydrophobicContact CG-CD1 4.09Å; L444-I448 HydrophobicContact CD1-CD1 3.64Å; L444-I448 HydrophobicContact CD1-CG1 3.93Å; L444-I448 HydrophobicContact CG-CD1 3.77Å; L444-I448 HydrophobicContact CG-CG1 4.47Å; L444-I448 WeakPolarHBondContact O-CB 3.28Å; L444-I448 VanDerWaalsContact O-CG1 3.31Å; L444-I448 WeakPolarHBondContact O-CG1 3.38Å; L444-I448 PolarHBondContact O-N 2.97Å; L445-I448 PolarHBondContact O-N 3.2Å; I448-K450 VanDerWaalsContact C-N 3.35Å; I448-K450 PolarHBondContact O-N 2.82Å; I448-V451 WeakPolarHBondContact O-CB 3.5Å; I448-V451 PolarHBondContact O-N 2.64Å; I448-V451 VanDerWaalsContact O-N 3.14Å; I448-C452 PolarHBondContact O-N 2.89Å; I448-C452 PolarHBondContact O-SG 3Å; I448-M462 HydrophobicContact CG1-SD 4.25Å; I448-M462 HydrophobicContact CG2-CE 4.12Å; I448-M462 HydrophobicContact CG2-SD 4.39Å; I448-T465 HydrophobicContact CG1-CG2 4.18Å; I448-I466 HydrophobicContact CD1-CD1 3.73Å; I448-I466 HydrophobicContact CG1-CD1 4.01Å
449	D	92	Very high	89.6	Confident	78 Å²	78	52.2 Å²	52.2	42%	0.417	25%	0.251	S	S	.	.	H	α-helix	trans	-60.9	-42.5	178.4	-170.9	64.5	0	0	0	111.8	L384 L445 C452 S453	L384-D449 HydrophobicContact CD1-CB 3.87Å; L445-D449 WeakPolarHBondContact O-CB 3.41Å; L445-D449 PolarHBondContact O-N 2.87Å; D449-C452 PolarHBondContact O-N 3.18Å; D449-S453 WeakPolarHBondContact O-CB 3.43Å; D449-S453 PolarHBondContact O-N 2.78Å; D449-S453 PolarHBondContact O-OG 3.15Å
450	K	90.8	Very high	89.5	Confident	119 Å²	119	51.6 Å²	51.6	52%	0.517	25%	0.247	S	C	.	.	H	α-helix	trans	-62.8	-38.8	172	-179.8	-179.2	175	-174.7	0	113.1	K446 I448 N454	K446-K450 VanDerWaalsContact O-CB 3.27Å; K446-K450 WeakPolarHBondContact O-CB 3.26Å; K446-K450 PolarHBondContact O-N 2.93Å; K446-K450 VanDerWaalsContact O-N 3.15Å; I448-K450 VanDerWaalsContact C-N 3.35Å; I448-K450 PolarHBondContact O-N 2.82Å; K450-N454 PolarHBondContact O-N 2.89Å
451	V	90.8	Very high	89.4	Confident	19 Å²	19	54.2 Å²	54.2	12%	0.115	26%	0.261	C	S	.	.	H	α-helix	trans	-66.6	-47.4	174.5	159.5	0	0	0	0	111.1	E447 I448 S453 N454 W455 N461 M462	E447-V451 WeakPolarHBondContact O-CG2 3.38Å; E447-V451 PolarHBondContact O-N 3.43Å; I448-V451 WeakPolarHBondContact O-CB 3.5Å; I448-V451 PolarHBondContact O-N 2.64Å; I448-V451 VanDerWaalsContact O-N 3.14Å; V451-S453 VanDerWaalsContact C-N 3.34Å; V451-S453 PolarHBondContact O-N 3.08Å; V451-N454 CarbonylContact O-C 3.53Å; V451-N454 PolarHBondContact O-N 2.64Å; V451-W455 HydrophobicContact CG1-CE3 3.65Å; V451-W455 HydrophobicContact CG1-CZ3 3.68Å; V451-W455 PolarHBondContact O-N 3.29Å; V451-N461 VanDerWaalsContact CG1-OD1 3.24Å; V451-N461 WeakPolarHBondContact CG1-OD1 3.19Å; V451-M462 HydrophobicContact CB-CE 4.33Å; V451-M462 HydrophobicContact CG1-CE 3.49Å; V451-M462 VanDerWaalsContact CG1-CE 3.49Å; V451-M462 HydrophobicContact CG1-SD 4.03Å
452	C	88.4	Confident	89.4	Confident	17 Å²	17	54.1 Å²	54.1	12%	0.115	26%	0.261	C	S	.	.	H	α-helix	trans	-67	-33.4	179.9	-71.4	0	0	0	0	113	L384 I448 D449 N454 W455	L384-C452 HydrophobicContact CD2-CB 3.84Å; I448-C452 PolarHBondContact O-N 2.89Å; I448-C452 PolarHBondContact O-SG 3Å; D449-C452 PolarHBondContact O-N 3.18Å; C452-N454 VanDerWaalsContact C-N 3.26Å; C452-N454 PolarHBondContact O-N 3.03Å; C452-W455 WeakPolarHBondContact O-CB 3.42Å; C452-W455 PolarHBondContact O-N 3.01Å
453	S	88.1	Confident	89.3	Confident	74 Å²	74	51.7 Å²	51.7	52%	0.517	25%	0.25	S	C	.	.	H	α-helix	trans	-63.5	-31.6	175.5	-63	0	0	0	0	112.8	D449 V451	D449-S453 WeakPolarHBondContact O-CB 3.43Å; D449-S453 PolarHBondContact O-N 2.78Å; D449-S453 PolarHBondContact O-OG 3.15Å; V451-S453 VanDerWaalsContact C-N 3.34Å; V451-S453 PolarHBondContact O-N 3.08Å
454	N	87.4	Confident	89.3	Confident	126 Å²	126	56.7 Å²	56.7	67%	0.674	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.3	34.3	-177.1	-64.4	2.5	0	0	0	111.4	K450 V451 C452	K450-N454 PolarHBondContact O-N 2.89Å; V451-N454 CarbonylContact O-C 3.53Å; V451-N454 PolarHBondContact O-N 2.64Å; C452-N454 VanDerWaalsContact C-N 3.26Å; C452-N454 PolarHBondContact O-N 3.03Å
455	W	88.4	Confident	89.2	Confident	25 Å²	25	57 Å²	57	10%	0.095	27%	0.273	C	S	.	.			trans	-84.8	123.9	-169.8	-172	-91.7	0	0	0	114.2	L376 H377 A380 V451 C452 S457 P460 M462 Y541	L376-W455 HydrophobicContact CG-CZ2 4.37Å; H377-W455 AromaticContact CE1-CD1 3.9Å; H377-W455 AromaticContact CG-CD1 3.93Å; H377-W455 AromaticContact ND1-CD1 3.46Å; A380-W455 HydrophobicContact CB-CD2 3.87Å; A380-W455 HydrophobicContact CB-CE3 3.96Å; A380-W455 HydrophobicContact CB-CH2 3.85Å; A380-W455 HydrophobicContact CB-CZ2 3.71Å; A380-W455 HydrophobicContact CB-CZ3 3.95Å; V451-W455 HydrophobicContact CG1-CE3 3.65Å; V451-W455 HydrophobicContact CG1-CZ3 3.68Å; V451-W455 PolarHBondContact O-N 3.29Å; C452-W455 WeakPolarHBondContact O-CB 3.42Å; C452-W455 PolarHBondContact O-N 3.01Å; W455-S457 PolarHBondContact NE1-OG 3.15Å; W455-P460 HydrophobicContact CH2-CB 3.86Å; W455-P460 HydrophobicContact CZ2-CB 3.99Å; W455-M462 HydrophobicContact CH2-CB 4.23Å; W455-M462 HydrophobicContact CZ3-CB 4.06Å; W455-M462 HydrophobicContact CZ3-CE 4.46Å; W455-Y541 AromaticContact CH2-CE2 3.67Å; W455-Y541 HydrophobicContact CH2-CE2 3.67Å; W455-Y541 WeakPolarHBondContact CH2-OH 3.29Å; W455-Y541 HydrophobicContact CZ2-CE2 4.15Å
456	D	84.8	Confident	89.1	Confident	39 Å²	39	56 Å²	56	21%	0.209	27%	0.268	C	S	.	.			trans	-123.5	126.6	157.1	-170.1	-17.7	0	0	0	109	Y362 R458 Y459	Y362-D456 VanDerWaalsContact CE1-OD1 3.28Å; Y362-D456 WeakPolarHBondContact CE1-OD1 3.45Å; D456-R458 PolarHBondContact O-N 2.98Å; D456-R458 WeakPolarHBondContact OD1-CB 3.3Å; D456-R458 PolarHBondContact OD1-N 3.1Å; D456-R458 IonicContact OD1-NE 3.53Å; D456-R458 PolarHBondContact OD1-NE 3.03Å; D456-R458 IonicContact OD2-CZ 2.67Å; D456-R458 IonicContact OD2-NE 3.62Å; D456-R458 PolarHBondContact OD2-NE 3.37Å; D456-R458 IonicContact OD2-NH2 3.74Å; D456-R458 PolarHBondContact OD2-NH2 3.35Å; D456-Y459 HydrophobicContact CB-CD2 4.38Å; D456-Y459 CarbonylContact O-C 3.55Å; D456-Y459 VanDerWaalsContact O-C 3.24Å; D456-Y459 PolarHBondContact O-N 3.43Å
457	S	85.2	Confident	88.9	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.014	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-15.4	175.4	-67.9	0	0	0	0	113.3	Y362 L373 H377 W455 Y459 P460	Y362-S457 PolarHBondContact OH-OG 2.68Å; L373-S457 VanDerWaalsContact CD2-O 3.3Å; L373-S457 WeakPolarHBondContact CD2-O 3.31Å; L373-S457 WeakPolarHBondContact O-CB 3.36Å; L373-S457 PolarHBondContact O-OG 2.73Å; H377-S457 PolarHBondContact N-OG 3.24Å; W455-S457 PolarHBondContact NE1-OG 3.15Å; S457-Y459 VanDerWaalsContact C-N 3.33Å; S457-P460 WeakPolarHBondContact O-CD 3.34Å
458	R	82.3	Confident	88.8	Confident	123 Å²	123	52.5 Å²	52.5	46%	0.464	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-23.6	169.4	-66.6	178.1	-76.2	-138.7	-1	112.6	Y362 L373 D456 P460	Y362-R458 HydrophobicContact CD1-CG 4.27Å; Y362-R458 PolarHBondContact O-NH1 3.05Å; L373-R458 HydrophobicContact CD1-CG 4.15Å; D456-R458 PolarHBondContact O-N 2.98Å; D456-R458 WeakPolarHBondContact OD1-CB 3.3Å; D456-R458 PolarHBondContact OD1-N 3.1Å; D456-R458 IonicContact OD1-NE 3.53Å; D456-R458 PolarHBondContact OD1-NE 3.03Å; D456-R458 IonicContact OD2-CZ 2.67Å; D456-R458 IonicContact OD2-NE 3.62Å; D456-R458 PolarHBondContact OD2-NE 3.37Å; D456-R458 IonicContact OD2-NH2 3.74Å; D456-R458 PolarHBondContact OD2-NH2 3.35Å; R458-P460 WeakPolarHBondContact O-CD 3.19Å
459	Y	84.3	Confident	88.7	Confident	177 Å²	177	53 Å²	53	69%	0.694	26%	0.262	S	S	*	.	S	Bend	trans	-128.5	58.4	179.2	-57.9	-70	0	0	0	111.6	D456 S457	D456-Y459 HydrophobicContact CB-CD2 4.38Å; D456-Y459 CarbonylContact O-C 3.55Å; D456-Y459 VanDerWaalsContact O-C 3.24Å; D456-Y459 PolarHBondContact O-N 3.43Å; S457-Y459 VanDerWaalsContact C-N 3.33Å
460	P	87.2	Confident	88.5	Confident	27 Å²	27	49.3 Å²	49.3	18%	0.175	24%	0.242	C	C	.	.			trans	-66.4	139.8	-172.7	30.5	-35.7	0	0	0	111.4	L376 W455 S457 R458 Y541 L545 E551	L376-P460 HydrophobicContact CD2-CB 4.1Å; L376-P460 HydrophobicContact CD2-CG 4.28Å; W455-P460 HydrophobicContact CH2-CB 3.86Å; W455-P460 HydrophobicContact CZ2-CB 3.99Å; S457-P460 WeakPolarHBondContact O-CD 3.34Å; R458-P460 WeakPolarHBondContact O-CD 3.19Å; P460-Y541 WeakPolarHBondContact CB-OH 3.05Å; P460-L545 HydrophobicContact CB-CD2 4Å; P460-L545 HydrophobicContact CG-CD2 3.7Å; P460-E551 HydrophobicContact CB-CG 4.12Å; P460-E551 HydrophobicContact CG-CB 4.28Å; P460-E551 HydrophobicContact CG-CG 4.07Å; P460-E551 WeakPolarHBondContact O-CG 3.43Å
461	N	89.8	Confident	88.3	Confident	62 Å²	62	47.4 Å²	47.4	33%	0.332	24%	0.238	S	C	.	.			trans	-147.8	11.1	-169.7	62	34.1	0	0	0	115.4	V451 S463 Y541 E551	V451-N461 VanDerWaalsContact CG1-OD1 3.24Å; V451-N461 WeakPolarHBondContact CG1-OD1 3.19Å; N461-S463 VanDerWaalsContact C-N 3.32Å; N461-S463 PolarHBondContact O-N 2.93Å; N461-Y541 PolarHBondContact N-OH 3.15Å; N461-E551 WeakPolarHBondContact CA-OE1 3.27Å; N461-E551 PolarHBondContact N-OE1 2.83Å
462	M	91.9	Very high	88	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.1	-31.9	-177.8	-172.6	61.7	74.4	0	0	112.9	A380 F383 I448 V451 W455 K464 T465 I466 Y541 E551	A380-M462 HydrophobicContact CB-CE 4.11Å; F383-M462 HydrophobicContact CB-CE 4.31Å; F383-M462 HydrophobicContact CB-SD 4.46Å; F383-M462 HydrophobicContact CD2-CE 4.45Å; F383-M462 HydrophobicContact CD2-CG 3.89Å; F383-M462 HydrophobicContact CD2-SD 4.42Å; F383-M462 HydrophobicContact CE2-CG 3.93Å; F383-M462 HydrophobicContact CG-CG 4.37Å; F383-M462 HydrophobicContact CG-SD 4.42Å; F383-M462 HydrophobicContact CZ-CG 4.44Å; I448-M462 HydrophobicContact CG1-SD 4.25Å; I448-M462 HydrophobicContact CG2-CE 4.12Å; I448-M462 HydrophobicContact CG2-SD 4.39Å; V451-M462 HydrophobicContact CB-CE 4.33Å; V451-M462 HydrophobicContact CG1-CE 3.49Å; V451-M462 VanDerWaalsContact CG1-CE 3.49Å; V451-M462 HydrophobicContact CG1-SD 4.03Å; W455-M462 HydrophobicContact CH2-CB 4.23Å; W455-M462 HydrophobicContact CZ3-CB 4.06Å; W455-M462 HydrophobicContact CZ3-CE 4.46Å; M462-K464 VanDerWaalsContact C-N 3.32Å; M462-K464 PolarHBondContact O-N 3.29Å; M462-T465 PolarHBondContact O-N 3.37Å; M462-T465 VanDerWaalsContact O-N 3.12Å; M462-I466 HydrophobicContact CG-CG1 4Å; M462-I466 PolarHBondContact O-N 2.88Å; M462-I466 VanDerWaalsContact O-N 3.1Å; M462-I466 HydrophobicContact SD-CD1 4.31Å; M462-I466 HydrophobicContact SD-CG1 4.16Å; M462-Y541 HydrophobicContact CB-CD2 4.49Å; M462-Y541 HydrophobicContact CB-CE1 4.32Å; M462-Y541 HydrophobicContact CB-CE2 3.73Å; M462-Y541 WeakPolarHBondContact CB-OH 3.18Å; M462-Y541 PolarHBondContact N-OH 3.01Å; M462-E551 PolarHBondContact N-OE1 3.16Å
463	S	92	Very high	87.9	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.014	24%	0.236	C	C	.	.	H	α-helix	trans	-64.1	-36.6	-173.8	-63.1	0	0	0	0	112.8	N461 T465 G467 M538 Y541 E551 A555	N461-S463 VanDerWaalsContact C-N 3.32Å; N461-S463 PolarHBondContact O-N 2.93Å; S463-T465 VanDerWaalsContact C-N 3.34Å; S463-T465 PolarHBondContact O-N 3.47Å; S463-G467 WeakPolarHBondContact O-CA 3.31Å; S463-G467 PolarHBondContact O-N 3.34Å; S463-M538 PolarHBondContact OG-SD 3.18Å; S463-Y541 VanDerWaalsContact OG-CE1 3.22Å; S463-Y541 WeakPolarHBondContact OG-CE1 3.48Å; S463-E551 WeakPolarHBondContact CB-OE1 3.43Å; S463-E551 PolarHBondContact N-OE1 2.93Å; S463-E551 PolarHBondContact OG-OE1 3.11Å; S463-A555 VanDerWaalsContact OG-CA 3.27Å; S463-A555 WeakPolarHBondContact OG-CA 3.46Å; S463-A555 VanDerWaalsContact OG-CB 3.28Å; S463-A555 WeakPolarHBondContact OG-CB 3.16Å
464	K	89.3	Confident	87.7	Confident	138 Å²	138	48.8 Å²	48.8	60%	0.6	23%	0.231	S	C	*	.	H	α-helix	trans	-60.2	-41.7	173.9	-176	-179.9	176.7	-177.4	0	112.2	M462 T468	M462-K464 VanDerWaalsContact C-N 3.32Å; M462-K464 PolarHBondContact O-N 3.29Å; K464-T468 WeakPolarHBondContact O-CB 3.46Å; K464-T468 PolarHBondContact O-N 3.32Å; K464-T468 VanDerWaalsContact O-N 3.16Å; K464-T468 PolarHBondContact O-OG1 2.72Å
465	T	90.4	Very high	87.7	Confident	10 Å²	10	44.2 Å²	44.2	6%	0.061	21%	0.209	C	C	.	.	H	α-helix	trans	-67.6	-56.6	179.8	-67	0	0	0	0	110.7	L444 E447 I448 M462 S463 G467 T468 F469	L444-T465 HydrophobicContact CD1-CG2 4.38Å; E447-T465 HydrophobicContact CB-CG2 3.76Å; I448-T465 HydrophobicContact CG1-CG2 4.18Å; M462-T465 PolarHBondContact O-N 3.37Å; M462-T465 VanDerWaalsContact O-N 3.12Å; S463-T465 VanDerWaalsContact C-N 3.34Å; S463-T465 PolarHBondContact O-N 3.47Å; T465-G467 VanDerWaalsContact C-N 3.35Å; T465-G467 PolarHBondContact O-N 2.86Å; T465-T468 PolarHBondContact O-N 2.93Å; T465-F469 WeakPolarHBondContact O-CD2 3.44Å; T465-F469 PolarHBondContact O-N 2.89Å
466	I	91.9	Very high	87.6	Confident	4 Å²	4	43 Å²	43	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-62.3	-42.8	-178.9	-56.8	-59.4	0	0	0	111.3	F383 L444 I448 M462 T468 F469 A470 M538 L562	F383-I466 HydrophobicContact CD1-CD1 3.66Å; F383-I466 HydrophobicContact CD1-CG1 4.03Å; F383-I466 HydrophobicContact CE1-CD1 3.81Å; F383-I466 HydrophobicContact CE1-CG1 3.71Å; F383-I466 HydrophobicContact CE1-CG2 4.43Å; F383-I466 HydrophobicContact CG-CD1 4.46Å; F383-I466 HydrophobicContact CZ-CG1 4.2Å; L444-I466 HydrophobicContact CD1-CD1 4.19Å; I448-I466 HydrophobicContact CD1-CD1 3.73Å; I448-I466 HydrophobicContact CG1-CD1 4.01Å; M462-I466 HydrophobicContact CG-CG1 4Å; M462-I466 PolarHBondContact O-N 2.88Å; M462-I466 VanDerWaalsContact O-N 3.1Å; M462-I466 HydrophobicContact SD-CD1 4.31Å; M462-I466 HydrophobicContact SD-CG1 4.16Å; I466-T468 PolarHBondContact O-N 3.01Å; I466-F469 PolarHBondContact O-N 3.12Å; I466-F469 VanDerWaalsContact O-N 3.12Å; I466-A470 PolarHBondContact O-N 2.79Å; I466-M538 HydrophobicContact CB-CE 3.45Å; I466-M538 VanDerWaalsContact CB-CE 3.45Å; I466-M538 HydrophobicContact CG1-CE 3.58Å; I466-M538 HydrophobicContact CG2-CE 3.76Å; I466-L562 HydrophobicContact CG2-CD1 3.93Å
467	G	88.7	Confident	87.7	Confident	12 Å²	12	44 Å²	44	12%	0.124	21%	0.207	C	C	.	.	H	α-helix	trans	-64.7	-23.1	178.1	0	0	0	0	0	114.4	S463 T465	S463-G467 WeakPolarHBondContact O-CA 3.31Å; S463-G467 PolarHBondContact O-N 3.34Å; T465-G467 VanDerWaalsContact C-N 3.35Å; T465-G467 PolarHBondContact O-N 2.86Å
468	T	89.8	Confident	87.8	Confident	48 Å²	48	46.6 Å²	46.6	29%	0.294	22%	0.224	S	C	.	.	H	α-helix	trans	-79.9	-32.3	172.7	-55.5	0	0	0	0	112.1	V172 K464 T465 I466 F472	V172-T468 HydrophobicContact CG1-CG2 3.83Å; K464-T468 WeakPolarHBondContact O-CB 3.46Å; K464-T468 PolarHBondContact O-N 3.32Å; K464-T468 VanDerWaalsContact O-N 3.16Å; K464-T468 PolarHBondContact O-OG1 2.72Å; T465-T468 PolarHBondContact O-N 2.93Å; I466-T468 PolarHBondContact O-N 3.01Å; T468-F472 WeakPolarHBondContact O-CD2 3.49Å
469	F	89.8	Confident	88.1	Confident	11 Å²	11	40.7 Å²	40.7	5%	0.048	20%	0.202	C	C	.	.	H	α-helix	trans	-87.2	-13.8	178.2	-79.6	-97.2	0	0	0	114.1	V172 M443 L444 E447 T465 I466 D471 F472 L473	V172-F469 HydrophobicContact CG1-CE2 4.48Å; M443-F469 HydrophobicContact CB-CE1 4.05Å; M443-F469 HydrophobicContact CB-CZ 4.25Å; L444-F469 HydrophobicContact CB-CD1 3.77Å; L444-F469 HydrophobicContact CB-CE1 3.93Å; L444-F469 HydrophobicContact CB-CG 4.14Å; L444-F469 HydrophobicContact CB-CZ 4.43Å; L444-F469 HydrophobicContact CD1-CB 3.85Å; L444-F469 HydrophobicContact CD1-CD1 4.24Å; L444-F469 HydrophobicContact CD1-CD2 3.79Å; L444-F469 HydrophobicContact CD1-CE2 4.38Å; L444-F469 HydrophobicContact CD1-CG 3.7Å; L444-F469 HydrophobicContact CD2-CB 4.28Å; L444-F469 HydrophobicContact CG-CD1 4.44Å; L444-F469 HydrophobicContact CG-CG 4.35Å; E447-F469 HydrophobicContact CB-CE2 4.3Å; E447-F469 HydrophobicContact CG-CE2 3.93Å; E447-F469 HydrophobicContact CG-CZ 4.11Å; T465-F469 WeakPolarHBondContact O-CD2 3.44Å; T465-F469 PolarHBondContact O-N 2.89Å; I466-F469 PolarHBondContact O-N 3.12Å; I466-F469 VanDerWaalsContact O-N 3.12Å; F469-D471 VanDerWaalsContact C-N 3.31Å; F469-D471 PolarHBondContact O-N 2.84Å; F469-F472 WeakPolarHBondContact O-CA 3.35Å; F469-F472 WeakPolarHBondContact O-CB 3.12Å; F469-F472 PolarHBondContact O-N 3.16Å; F469-L473 PolarHBondContact O-N 3.27Å
470	A	88	Confident	88.2	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-42.5	-177.6	0	0	0	0	0	113.7	I466 L473 K561 L562	I466-A470 PolarHBondContact O-N 2.79Å; A470-L473 WeakPolarHBondContact O-CB 3.32Å; A470-L473 PolarHBondContact O-N 3.02Å; A470-K561 HydrophobicContact CB-CB 3.95Å; A470-L562 HydrophobicContact CB-CD2 3.89Å; A470-L562 HydrophobicContact CB-CG 4.17Å
471	D	85.4	Confident	88	Confident	80 Å²	80	33.4 Å²	33.4	43%	0.428	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-33.4	175.7	-83.8	-67.3	0	0	0	113.4	F469 L473 K474	F469-D471 VanDerWaalsContact C-N 3.31Å; F469-D471 PolarHBondContact O-N 2.84Å; D471-L473 VanDerWaalsContact C-N 3.28Å; D471-L473 PolarHBondContact O-N 3.4Å; D471-K474 WeakPolarHBondContact O-CB 3.39Å; D471-K474 WeakPolarHBondContact O-CD 3.32Å; D471-K474 VanDerWaalsContact O-CG 3.26Å; D471-K474 WeakPolarHBondContact O-CG 3.44Å; D471-K474 PolarHBondContact O-N 3.09Å; D471-K474 IonicContact OD1-NZ 2.9Å; D471-K474 PolarHBondContact OD1-NZ 3.29Å
472	F	85.8	Confident	87.8	Confident	37 Å²	37	34 Å²	34	16%	0.162	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-73.6	-18.8	178.6	-64.8	-85	0	0	0	112.7	A176 L179 I440 T468 F469 K474 C475	A176-F472 HydrophobicContact CB-CE2 4.13Å; A176-F472 HydrophobicContact CB-CZ 3.96Å; L179-F472 HydrophobicContact CB-CD1 4.28Å; L179-F472 HydrophobicContact CB-CE1 3.73Å; L179-F472 HydrophobicContact CB-CZ 4.41Å; L179-F472 HydrophobicContact CD1-CD1 3.63Å; L179-F472 HydrophobicContact CD1-CD2 4.42Å; L179-F472 HydrophobicContact CD1-CE1 3.63Å; L179-F472 HydrophobicContact CD1-CE2 4.42Å; L179-F472 HydrophobicContact CD1-CG 4.04Å; L179-F472 HydrophobicContact CD1-CZ 4.04Å; L179-F472 HydrophobicContact CG-CE1 4.34Å; I440-F472 HydrophobicContact CG2-CB 4.03Å; T468-F472 WeakPolarHBondContact O-CD2 3.49Å; F469-F472 WeakPolarHBondContact O-CA 3.35Å; F469-F472 WeakPolarHBondContact O-CB 3.12Å; F469-F472 PolarHBondContact O-N 3.16Å; F472-K474 PolarHBondContact O-N 3.05Å; F472-K474 VanDerWaalsContact O-N 3.08Å; F472-C475 WeakPolarHBondContact O-CB 3.4Å; F472-C475 PolarHBondContact O-N 3.16Å; F472-C475 PolarHBondContact O-SG 3.4Å
473	L	85.8	Confident	87.5	Confident	5 Å²	5	34.7 Å²	34.7	3%	0.026	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-60.5	-16.5	172.8	-62.9	179.2	0	0	0	113.3	H441 F469 A470 D471 C475 C476 F531 Y534 L562	H441-L473 VanDerWaalsContact CE1-CD2 3.44Å; H441-L473 WeakPolarHBondContact CE1-CD2 3.49Å; F469-L473 PolarHBondContact O-N 3.27Å; A470-L473 WeakPolarHBondContact O-CB 3.32Å; A470-L473 PolarHBondContact O-N 3.02Å; D471-L473 VanDerWaalsContact C-N 3.28Å; D471-L473 PolarHBondContact O-N 3.4Å; L473-C475 PolarHBondContact O-N 3.45Å; L473-C475 VanDerWaalsContact O-N 3.13Å; L473-C476 WeakPolarHBondContact O-CB 3.26Å; L473-C476 PolarHBondContact O-N 3.18Å; L473-F531 HydrophobicContact CB-CD2 4.12Å; L473-F531 HydrophobicContact CB-CE2 4.12Å; L473-Y534 HydrophobicContact CD1-CD2 3.61Å; L473-Y534 HydrophobicContact CD1-CE2 4.14Å; L473-Y534 HydrophobicContact CD1-CG 4.22Å; L473-Y534 HydrophobicContact CD2-CD2 4.08Å; L473-Y534 HydrophobicContact CD2-CE2 3.72Å; L473-L562 HydrophobicContact CD1-CD2 3.51Å
474	K	84.7	Confident	86.9	Confident	97 Å²	97	37.1 Å²	37.1	42%	0.422	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-57.4	-19.6	169.2	-64.7	169.6	-172	162.2	0	112.7	D471 F472 C476 Q477 V565	D471-K474 WeakPolarHBondContact O-CB 3.39Å; D471-K474 WeakPolarHBondContact O-CD 3.32Å; D471-K474 VanDerWaalsContact O-CG 3.26Å; D471-K474 WeakPolarHBondContact O-CG 3.44Å; D471-K474 PolarHBondContact O-N 3.09Å; D471-K474 IonicContact OD1-NZ 2.9Å; D471-K474 PolarHBondContact OD1-NZ 3.29Å; F472-K474 PolarHBondContact O-N 3.05Å; F472-K474 VanDerWaalsContact O-N 3.08Å; K474-C476 PolarHBondContact O-N 3.46Å; K474-C476 VanDerWaalsContact O-N 3.15Å; K474-Q477 VanDerWaalsContact O-CB 3.22Å; K474-Q477 WeakPolarHBondContact O-CB 3.35Å; K474-Q477 PolarHBondContact O-N 2.99Å; K474-V565 HydrophobicContact CG-CG1 4.12Å; K474-V565 HydrophobicContact CG-CG2 4.44Å
475	C	86.3	Confident	86.7	Confident	30 Å²	30	34.1 Å²	34.1	20%	0.203	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-58.5	-22.3	171	70.3	0	0	0	0	114	I440 F472 L473 Q477 P478	I440-C475 HydrophobicContact CD1-CB 3.52Å; F472-C475 WeakPolarHBondContact O-CB 3.4Å; F472-C475 PolarHBondContact O-N 3.16Å; F472-C475 PolarHBondContact O-SG 3.4Å; L473-C475 PolarHBondContact O-N 3.45Å; L473-C475 VanDerWaalsContact O-N 3.13Å; C475-Q477 VanDerWaalsContact C-N 3.31Å; C475-P478 WeakPolarHBondContact O-CD 3.32Å
476	C	87.1	Confident	86.7	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-73.7	-21.3	173.6	-68.4	0	0	0	0	113	L473 K474 F479 L480 V527 F531	L473-C476 WeakPolarHBondContact O-CB 3.26Å; L473-C476 PolarHBondContact O-N 3.18Å; K474-C476 PolarHBondContact O-N 3.46Å; K474-C476 VanDerWaalsContact O-N 3.15Å; C476-F479 PolarHBondContact O-N 3.09Å; C476-F479 VanDerWaalsContact O-N 3.12Å; C476-L480 HydrophobicContact CB-CD1 3.95Å; C476-L480 HydrophobicContact CB-CG 4.41Å; C476-L480 WeakPolarHBondContact O-CG 3.22Å; C476-L480 PolarHBondContact O-N 3.34Å; C476-V527 HydrophobicContact CB-CG1 3.97Å; C476-F531 HydrophobicContact CB-CD2 4.23Å
477	Q	86.1	Confident	86.2	Confident	58 Å²	58	35.2 Å²	35.2	27%	0.271	20%	0.195	S	C	.	.	H	α-helix	trans	-57.5	-45.4	-171.2	-176.8	173	11.7	0	0	113.9	K474 C475 F479 L480 D481 V569	K474-Q477 VanDerWaalsContact O-CB 3.22Å; K474-Q477 WeakPolarHBondContact O-CB 3.35Å; K474-Q477 PolarHBondContact O-N 2.99Å; C475-Q477 VanDerWaalsContact C-N 3.31Å; Q477-F479 PolarHBondContact O-N 3.43Å; Q477-L480 PolarHBondContact O-N 3.31Å; Q477-D481 WeakPolarHBondContact O-CB 3.47Å; Q477-D481 PolarHBondContact O-N 3.29Å; Q477-V569 HydrophobicContact CB-CG2 4.43Å; Q477-V569 HydrophobicContact CG-CG2 4.28Å
478	P	86.9	Confident	85.9	Confident	57 Å²	57	39.4 Å²	39.4	37%	0.37	22%	0.215	S	C	.	.	H	α-helix	trans	-62.3	-28.4	178.9	-23.8	35.6	0	0	0	113.8	I433 C475 N482	I433-P478 HydrophobicContact CG2-CB 4.34Å; C475-P478 WeakPolarHBondContact O-CD 3.32Å; P478-N482 PolarHBondContact O-ND2 3.26Å
479	F	89.1	Confident	85.7	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-75.2	-43.8	171.8	177.1	-98.2	0	0	0	111.4	I430 I433 M434 I437 C476 Q477 N482 K483 F486 L524 V527	I430-F479 HydrophobicContact CG1-CE2 4.47Å; I430-F479 HydrophobicContact CG2-CE2 4.3Å; I433-F479 HydrophobicContact CG2-CB 3.77Å; M434-F479 HydrophobicContact CE-CD1 4.25Å; M434-F479 HydrophobicContact CE-CD2 3.77Å; M434-F479 HydrophobicContact CE-CE1 3.91Å; M434-F479 HydrophobicContact CE-CE2 3.4Å; M434-F479 VanDerWaalsContact CE-CE2 3.4Å; M434-F479 HydrophobicContact CE-CG 4.18Å; M434-F479 HydrophobicContact CE-CZ 3.47Å; M434-F479 VanDerWaalsContact CE-CZ 3.47Å; I437-F479 HydrophobicContact CD1-CB 3.91Å; C476-F479 PolarHBondContact O-N 3.09Å; C476-F479 VanDerWaalsContact O-N 3.12Å; Q477-F479 PolarHBondContact O-N 3.43Å; F479-N482 CarbonylContact O-C 3.55Å; F479-N482 PolarHBondContact O-N 3.18Å; F479-K483 HydrophobicContact CE1-CB 4.48Å; F479-K483 HydrophobicContact CE1-CD 4.45Å; F479-K483 HydrophobicContact CE1-CG 4.08Å; F479-K483 HydrophobicContact CZ-CG 4.29Å; F479-K483 PolarHBondContact O-N 3.46Å; F479-F486 AromaticContact CD2-CD2 3.87Å; F479-F486 HydrophobicContact CD2-CD2 3.87Å; F479-F486 AromaticContact CD2-CE2 3.73Å; F479-F486 HydrophobicContact CD2-CE2 3.73Å; F479-F486 AromaticContact CE2-CD2 3.6Å; F479-F486 HydrophobicContact CE2-CD2 3.6Å; F479-F486 AromaticContact CE2-CE2 3.95Å; F479-F486 HydrophobicContact CE2-CE2 3.95Å; F479-F486 HydrophobicContact CZ-CD2 4.42Å; F479-L524 WeakPolarHBondContact CE1-O 3.48Å; F479-L524 HydrophobicContact CZ-CB 4.13Å; F479-L524 HydrophobicContact CZ-CD2 4.12Å; F479-V527 HydrophobicContact CD1-CB 3.78Å; F479-V527 HydrophobicContact CD1-CG1 3.76Å; F479-V527 HydrophobicContact CD1-CG2 3.78Å; F479-V527 HydrophobicContact CE1-CB 3.85Å; F479-V527 HydrophobicContact CE1-CG1 4.35Å; F479-V527 HydrophobicContact CE1-CG2 3.72Å
480	L	85.5	Confident	85.5	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.9	-50.9	-176.8	-67.4	174.6	0	0	0	111.2	C476 Q477 N482 K483 V527 H528 F531 V569 M573	C476-L480 HydrophobicContact CB-CD1 3.95Å; C476-L480 HydrophobicContact CB-CG 4.41Å; C476-L480 WeakPolarHBondContact O-CG 3.22Å; C476-L480 PolarHBondContact O-N 3.34Å; Q477-L480 PolarHBondContact O-N 3.31Å; L480-N482 PolarHBondContact O-N 3.18Å; L480-N482 VanDerWaalsContact O-N 3.1Å; L480-K483 WeakPolarHBondContact O-CB 3.42Å; L480-K483 PolarHBondContact O-N 3.49Å; L480-V527 HydrophobicContact CD2-CB 4.35Å; L480-V527 HydrophobicContact CD2-CG1 3.95Å; L480-V527 HydrophobicContact CG-CG1 4.22Å; L480-H528 HydrophobicContact CD2-CB 3.54Å; L480-F531 HydrophobicContact CD1-CD1 4.04Å; L480-F531 HydrophobicContact CD1-CD2 4.49Å; L480-F531 HydrophobicContact CD1-CE1 4.28Å; L480-F531 HydrophobicContact CD1-CG 4.14Å; L480-V569 HydrophobicContact CB-CG1 4.21Å; L480-V569 HydrophobicContact CD1-CG1 3.78Å; L480-M573 WeakPolarHBondContact O-CE 3.35Å
481	D	84.4	Confident	85.3	Confident	51 Å²	51	42.7 Å²	42.7	27%	0.273	23%	0.227	S	C	.	.	H	α-helix	trans	-49.3	-38.6	176.5	-68.9	-17.9	0	0	0	112.4	Q477 K572	Q477-D481 WeakPolarHBondContact O-CB 3.47Å; Q477-D481 PolarHBondContact O-N 3.29Å; D481-K572 VanDerWaalsContact CG-NZ 3.26Å; D481-K572 WeakPolarHBondContact OD1-CD 3.49Å; D481-K572 WeakPolarHBondContact OD1-CE 3.48Å; D481-K572 IonicContact OD1-NZ 3.87Å; D481-K572 PolarHBondContact OD1-NZ 3.13Å; D481-K572 IonicContact OD2-NZ 2.72Å; D481-K572 PolarHBondContact OD2-NZ 2.87Å
482	N	85.6	Confident	85.2	Confident	73 Å²	73	43.8 Å²	43.8	39%	0.39	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	3.2	-178.1	-66.7	-79.6	0	0	0	113.7	P478 F479 L480 A484 D485 F486	P478-N482 PolarHBondContact O-ND2 3.26Å; F479-N482 CarbonylContact O-C 3.55Å; F479-N482 PolarHBondContact O-N 3.18Å; L480-N482 PolarHBondContact O-N 3.18Å; L480-N482 VanDerWaalsContact O-N 3.1Å; N482-A484 PolarHBondContact O-N 3.17Å; N482-D485 WeakPolarHBondContact O-CB 2.96Å; N482-D485 PolarHBondContact O-N 3.44Å; N482-D485 VanDerWaalsContact O-N 3.15Å; N482-F486 HydrophobicContact CB-CD2 4.03Å; N482-F486 HydrophobicContact CB-CE1 4.22Å; N482-F486 HydrophobicContact CB-CE2 3.44Å; N482-F486 VanDerWaalsContact CB-CE2 3.44Å; N482-F486 HydrophobicContact CB-CZ 3.55Å; N482-F486 VanDerWaalsContact O-CD2 3.28Å; N482-F486 WeakPolarHBondContact O-CD2 3.41Å; N482-F486 WeakPolarHBondContact O-CG 3.42Å; N482-F486 PolarHBondContact O-N 3.49Å
483	K	85.3	Confident	85.1	Confident	16 Å²	16	42.8 Å²	42.8	7%	0.07	23%	0.226	C	C	.	.	H	α-helix	trans	-60.8	-42.3	-171.4	-170	-169.5	67.5	163.3	0	112.4	F479 L480 D485 F486 L487 D525 M573	F479-K483 HydrophobicContact CE1-CB 4.48Å; F479-K483 HydrophobicContact CE1-CD 4.45Å; F479-K483 HydrophobicContact CE1-CG 4.08Å; F479-K483 HydrophobicContact CZ-CG 4.29Å; F479-K483 PolarHBondContact O-N 3.46Å; L480-K483 WeakPolarHBondContact O-CB 3.42Å; L480-K483 PolarHBondContact O-N 3.49Å; K483-D485 VanDerWaalsContact C-N 3.33Å; K483-D485 PolarHBondContact O-N 3.29Å; K483-F486 PolarHBondContact O-N 3.03Å; K483-L487 HydrophobicContact CD-CD1 4.47Å; K483-L487 HydrophobicContact CG-CD1 4.07Å; K483-L487 HydrophobicContact CG-CG 4.5Å; K483-L487 WeakPolarHBondContact O-CB 3.46Å; K483-L487 WeakPolarHBondContact O-CD1 3.46Å; K483-L487 VanDerWaalsContact O-CG 3.22Å; K483-L487 WeakPolarHBondContact O-CG 3.37Å; K483-L487 PolarHBondContact O-N 2.91Å; K483-D525 IonicContact NZ-OD1 3.79Å; K483-D525 PolarHBondContact NZ-OD1 3.37Å; K483-M573 HydrophobicContact CB-CE 4.48Å
484	A	80	Confident	85	Confident	53 Å²	53	43.7 Å²	43.7	44%	0.438	23%	0.229	S	C	.	.	H	α-helix	trans	-61.8	-42.8	178.1	0	0	0	0	0	111.4	N482 L487 N488	N482-A484 PolarHBondContact O-N 3.17Å; A484-L487 PolarHBondContact O-N 3.34Å; A484-N488 WeakPolarHBondContact O-CB 3.38Å; A484-N488 VanDerWaalsContact O-CG 3.25Å; A484-N488 PolarHBondContact O-N 2.93Å; A484-N488 PolarHBondContact O-ND2 2.9Å
485	D	85.3	Confident	84.7	Confident	75 Å²	75	44.2 Å²	44.2	40%	0.401	24%	0.236	S	C	.	.	H	α-helix	trans	-62.8	-46.2	175.6	-106.4	42.4	0	0	0	112.3	N482 K483 L487 N488 K489	N482-D485 WeakPolarHBondContact O-CB 2.96Å; N482-D485 PolarHBondContact O-N 3.44Å; N482-D485 VanDerWaalsContact O-N 3.15Å; K483-D485 VanDerWaalsContact C-N 3.33Å; K483-D485 PolarHBondContact O-N 3.29Å; D485-L487 PolarHBondContact O-N 2.93Å; D485-N488 PolarHBondContact O-N 2.85Å; D485-K489 VanDerWaalsContact O-CB 3.29Å; D485-K489 WeakPolarHBondContact O-CB 3.14Å; D485-K489 WeakPolarHBondContact O-CD 3.5Å; D485-K489 VanDerWaalsContact O-CG 3.26Å; D485-K489 WeakPolarHBondContact O-CG 3.02Å; D485-K489 PolarHBondContact O-N 3.21Å; D485-K489 WeakPolarHBondContact OD2-CE 3.45Å; D485-K489 IonicContact OD2-NZ 3.29Å; D485-K489 PolarHBondContact OD2-NZ 3.15Å
486	F	88.6	Confident	84.5	Confident	5 Å²	5	48.2 Å²	48.2	2%	0.022	25%	0.252	C	S	.	.	H	α-helix	trans	-62	-41.4	175.7	-63.2	-37.3	0	0	0	112.3	V426 Q429 I430 I433 F479 N482 K483 L490 L524	V426-F486 HydrophobicContact CG2-CB 4.39Å; V426-F486 HydrophobicContact CG2-CD1 3.9Å; Q429-F486 HydrophobicContact CB-CE1 3.85Å; Q429-F486 HydrophobicContact CB-CZ 4.49Å; I430-F486 HydrophobicContact CD1-CB 4.14Å; I430-F486 HydrophobicContact CD1-CG 4.41Å; I430-F486 HydrophobicContact CG1-CB 4.14Å; I430-F486 HydrophobicContact CG1-CD1 4.08Å; I430-F486 HydrophobicContact CG1-CD2 4.16Å; I430-F486 HydrophobicContact CG1-CG 3.87Å; I433-F486 HydrophobicContact CD1-CE2 3.94Å; I433-F486 HydrophobicContact CD1-CZ 3.69Å; F479-F486 AromaticContact CD2-CD2 3.87Å; F479-F486 HydrophobicContact CD2-CD2 3.87Å; F479-F486 AromaticContact CD2-CE2 3.73Å; F479-F486 HydrophobicContact CD2-CE2 3.73Å; F479-F486 AromaticContact CE2-CD2 3.6Å; F479-F486 HydrophobicContact CE2-CD2 3.6Å; F479-F486 AromaticContact CE2-CE2 3.95Å; F479-F486 HydrophobicContact CE2-CE2 3.95Å; F479-F486 HydrophobicContact CZ-CD2 4.42Å; N482-F486 HydrophobicContact CB-CD2 4.03Å; N482-F486 HydrophobicContact CB-CE1 4.22Å; N482-F486 HydrophobicContact CB-CE2 3.44Å; N482-F486 VanDerWaalsContact CB-CE2 3.44Å; N482-F486 HydrophobicContact CB-CZ 3.55Å; N482-F486 VanDerWaalsContact O-CD2 3.28Å; N482-F486 WeakPolarHBondContact O-CD2 3.41Å; N482-F486 WeakPolarHBondContact O-CG 3.42Å; N482-F486 PolarHBondContact O-N 3.49Å; K483-F486 PolarHBondContact O-N 3.03Å; F486-L490 WeakPolarHBondContact O-CB 3.45Å; F486-L490 PolarHBondContact O-N 3.36Å; F486-L524 HydrophobicContact CB-CD1 4.29Å
487	L	82.8	Confident	84.3	Confident	31 Å²	31	49 Å²	49	16%	0.162	26%	0.256	C	S	.	.	H	α-helix	trans	-61	-48.3	175	-74.4	164.6	0	0	0	111.2	K483 A484 D485 L491 I521 L524	K483-L487 HydrophobicContact CD-CD1 4.47Å; K483-L487 HydrophobicContact CG-CD1 4.07Å; K483-L487 HydrophobicContact CG-CG 4.5Å; K483-L487 WeakPolarHBondContact O-CB 3.46Å; K483-L487 WeakPolarHBondContact O-CD1 3.46Å; K483-L487 VanDerWaalsContact O-CG 3.22Å; K483-L487 WeakPolarHBondContact O-CG 3.37Å; K483-L487 PolarHBondContact O-N 2.91Å; A484-L487 PolarHBondContact O-N 3.34Å; D485-L487 PolarHBondContact O-N 2.93Å; L487-L491 VanDerWaalsContact O-CB 3.26Å; L487-L491 WeakPolarHBondContact O-CB 3.43Å; L487-L491 WeakPolarHBondContact O-CG 3.12Å; L487-L491 PolarHBondContact O-N 2.88Å; L487-I521 HydrophobicContact CD2-CG2 3.6Å; L487-I521 VanDerWaalsContact CD2-O 3.27Å; L487-I521 WeakPolarHBondContact CD2-O 3.36Å; L487-L524 HydrophobicContact CD2-CB 4.19Å; L487-L524 HydrophobicContact CD2-CD1 4.03Å; L487-L524 HydrophobicContact CG-CD1 4.3Å
488	N	81.4	Confident	84.1	Confident	101 Å²	101	52.2 Å²	52.2	54%	0.54	27%	0.27	S	S	.	.	H	α-helix	trans	-64.5	-49.4	-179.9	-71.9	-23.4	0	0	0	111.9	A484 D485 L490 L491 Q492	A484-N488 WeakPolarHBondContact O-CB 3.38Å; A484-N488 VanDerWaalsContact O-CG 3.25Å; A484-N488 PolarHBondContact O-N 2.93Å; A484-N488 PolarHBondContact O-ND2 2.9Å; D485-N488 PolarHBondContact O-N 2.85Å; N488-L490 PolarHBondContact O-N 3.1Å; N488-L491 PolarHBondContact O-N 3.35Å; N488-Q492 WeakPolarHBondContact O-CB 3.26Å; N488-Q492 PolarHBondContact O-N 3.29Å
489	K	86.2	Confident	83.8	Confident	80 Å²	80	53.3 Å²	53.3	35%	0.348	27%	0.27	S	S	.	.	H	α-helix	trans	-62.3	-40	179.1	-71.8	161	177.4	161.9	0	112.1	V426 D485 Q492 L493	V426-K489 HydrophobicContact CB-CB 4.2Å; V426-K489 HydrophobicContact CG2-CB 3.77Å; D485-K489 VanDerWaalsContact O-CB 3.29Å; D485-K489 WeakPolarHBondContact O-CB 3.14Å; D485-K489 WeakPolarHBondContact O-CD 3.5Å; D485-K489 VanDerWaalsContact O-CG 3.26Å; D485-K489 WeakPolarHBondContact O-CG 3.02Å; D485-K489 PolarHBondContact O-N 3.21Å; D485-K489 WeakPolarHBondContact OD2-CE 3.45Å; D485-K489 IonicContact OD2-NZ 3.29Å; D485-K489 PolarHBondContact OD2-NZ 3.15Å; K489-Q492 PolarHBondContact O-N 2.94Å; K489-L493 WeakPolarHBondContact O-CG 3.41Å; K489-L493 PolarHBondContact O-N 3.08Å
490	L	86.1	Confident	83.7	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-75.8	-31.7	177.8	-165.1	148.5	0	0	0	112.5	Y401 V426 I430 F486 N488 R494 V520 I521	Y401-L490 HydrophobicContact CE1-CD1 4.43Å; V426-L490 HydrophobicContact CG1-CB 4.01Å; V426-L490 HydrophobicContact CG1-CD1 4.25Å; V426-L490 HydrophobicContact CG1-CG 4.32Å; I430-L490 HydrophobicContact CD1-CD1 4.03Å; F486-L490 WeakPolarHBondContact O-CB 3.45Å; F486-L490 PolarHBondContact O-N 3.36Å; N488-L490 PolarHBondContact O-N 3.1Å; L490-R494 HydrophobicContact CD2-CG 4.43Å; L490-R494 WeakPolarHBondContact O-CG 3.42Å; L490-R494 PolarHBondContact O-N 3.38Å; L490-V520 HydrophobicContact CD1-CG1 4.13Å; L490-V520 HydrophobicContact CD2-CG1 4.27Å; L490-I521 HydrophobicContact CD2-CD1 4.24Å; L490-I521 HydrophobicContact CD2-CG1 3.54Å
491	L	82.5	Confident	83.6	Confident	47 Å²	47	54 Å²	54	25%	0.246	27%	0.273	C	S	.	.	H	α-helix	trans	-64.9	-43	168.7	-86.8	164.2	0	0	0	112	L487 N488 R494 N495 I521	L487-L491 VanDerWaalsContact O-CB 3.26Å; L487-L491 WeakPolarHBondContact O-CB 3.43Å; L487-L491 WeakPolarHBondContact O-CG 3.12Å; L487-L491 PolarHBondContact O-N 2.88Å; N488-L491 PolarHBondContact O-N 3.35Å; L491-R494 PolarHBondContact O-N 3.25Å; L491-N495 PolarHBondContact O-N 3.39Å; L491-N495 VanDerWaalsContact O-N 3.17Å; L491-N495 PolarHBondContact O-ND2 3.49Å; L491-I521 HydrophobicContact CD2-CD1 3.65Å; L491-I521 HydrophobicContact CG-CD1 4.03Å
492	Q	83.1	Confident	83.5	Confident	103 Å²	103	52.3 Å²	52.3	48%	0.481	26%	0.264	S	S	.	.	H	α-helix	trans	-61.7	-53.2	177.7	-179.9	173.4	3.4	0	0	110.8	N488 K489 R494 N495 E496	N488-Q492 WeakPolarHBondContact O-CB 3.26Å; N488-Q492 PolarHBondContact O-N 3.29Å; K489-Q492 PolarHBondContact O-N 2.94Å; Q492-R494 VanDerWaalsContact C-N 3.28Å; Q492-R494 PolarHBondContact O-N 2.77Å; Q492-N495 WeakPolarHBondContact O-CA 3.46Å; Q492-N495 WeakPolarHBondContact O-CB 3.33Å; Q492-N495 PolarHBondContact O-N 2.86Å; Q492-E496 VanDerWaalsContact CG-CD 3.46Å; Q492-E496 HydrophobicContact CG-CG 4.29Å; Q492-E496 WeakPolarHBondContact CG-OE1 3.16Å; Q492-E496 PolarHBondContact NE2-OE1 2.92Å; Q492-E496 PolarHBondContact O-N 3.3Å
493	L	84.4	Confident	83.4	Confident	16 Å²	16	48.9 Å²	48.9	8%	0.084	25%	0.245	C	C	.	.	H	α-helix	trans	-58	-36.7	178.1	-72.7	169.4	0	0	0	113	V426 K489 N495 D497 F500	V426-L493 HydrophobicContact CB-CD1 4.35Å; V426-L493 HydrophobicContact CG1-CD1 3.64Å; K489-L493 WeakPolarHBondContact O-CG 3.41Å; K489-L493 PolarHBondContact O-N 3.08Å; L493-N495 VanDerWaalsContact C-N 3.31Å; L493-N495 PolarHBondContact O-N 3.5Å; L493-D497 WeakPolarHBondContact O-CA 3.39Å; L493-D497 VanDerWaalsContact O-CB 3.32Å; L493-D497 WeakPolarHBondContact O-CB 3.37Å; L493-D497 PolarHBondContact O-N 3.35Å; L493-F500 HydrophobicContact CB-CD1 4.08Å; L493-F500 HydrophobicContact CB-CE1 3.98Å
494	R	83.7	Confident	83.4	Confident	25 Å²	25	48.1 Å²	48.1	9%	0.094	24%	0.242	C	C	.	.	H	α-helix	trans	-73.6	-15.8	174	-71.1	-177.1	72.9	159.8	10.6	115	L490 L491 Q492 F500 D501 T504 E508	L490-R494 HydrophobicContact CD2-CG 4.43Å; L490-R494 WeakPolarHBondContact O-CG 3.42Å; L490-R494 PolarHBondContact O-N 3.38Å; L491-R494 PolarHBondContact O-N 3.25Å; Q492-R494 VanDerWaalsContact C-N 3.28Å; Q492-R494 PolarHBondContact O-N 2.77Å; R494-F500 HydrophobicContact CG-CD1 3.83Å; R494-F500 HydrophobicContact CG-CE1 3.85Å; R494-D501 HydrophobicContact CB-CB 4.2Å; R494-D501 HydrophobicContact CG-CB 4.39Å; R494-D501 IonicContact CZ-OD1 2.7Å; R494-D501 VanDerWaalsContact CZ-OD1 3.24Å; R494-D501 IonicContact NE-OD1 3.63Å; R494-D501 PolarHBondContact NE-OD1 3.34Å; R494-D501 IonicContact NH2-OD1 2.66Å; R494-D501 PolarHBondContact NH2-OD1 2.79Å; R494-D501 WeakPolarHBondContact O-CB 3.37Å; R494-T504 VanDerWaalsContact NH1-CG2 3.32Å; R494-E508 IonicContact CZ-OE1 3.87Å; R494-E508 IonicContact CZ-OE2 3.94Å; R494-E508 IonicContact NH1-OE1 2.77Å; R494-E508 PolarHBondContact NH1-OE1 2.82Å; R494-E508 IonicContact NH1-OE2 3.2Å; R494-E508 PolarHBondContact NH1-OE2 3.03Å; R494-E508 IonicContact NH2-OE1 3.44Å; R494-E508 IonicContact NH2-OE2 3.64Å; R494-E508 PolarHBondContact NH2-OE2 3.4Å
495	N	78.3	Confident	83.5	Confident	107 Å²	107	46.3 Å²	46.3	57%	0.572	22%	0.224	S	C	*	.	H	α-helix	trans	-91	-35.4	174.2	-66.8	-26.6	0	0	0	111.3	L491 Q492 L493 R704	L491-N495 PolarHBondContact O-N 3.39Å; L491-N495 VanDerWaalsContact O-N 3.17Å; L491-N495 PolarHBondContact O-ND2 3.49Å; Q492-N495 WeakPolarHBondContact O-CA 3.46Å; Q492-N495 WeakPolarHBondContact O-CB 3.33Å; Q492-N495 PolarHBondContact O-N 2.86Å; L493-N495 VanDerWaalsContact C-N 3.31Å; L493-N495 PolarHBondContact O-N 3.5Å; N495-R704 PolarHBondContact OD1-NH1 3.13Å
496	E	82.7	Confident	83.1	Confident	115 Å²	115	43.1 Å²	43.1	54%	0.537	21%	0.207	S	C	.	.	H	α-helix	trans	-81.5	-47.1	-179.5	-68	172.5	174.8	0	0	112.2	Q492	Q492-E496 VanDerWaalsContact CG-CD 3.46Å; Q492-E496 HydrophobicContact CG-CG 4.29Å; Q492-E496 WeakPolarHBondContact CG-OE1 3.16Å; Q492-E496 PolarHBondContact NE2-OE1 2.92Å; Q492-E496 PolarHBondContact O-N 3.3Å
497	D	83.5	Confident	82.9	Confident	15 Å²	15	42.9 Å²	42.9	8%	0.08	21%	0.206	C	C	.	.			trans	-105.6	114.3	-172.1	-164.1	-58.7	0	0	0	111.9	R414 L493 E499 F500 D501	R414-D497 IonicContact CZ-OD2 3.18Å; R414-D497 IonicContact NH1-OD1 3.58Å; R414-D497 PolarHBondContact NH1-OD1 2.95Å; R414-D497 IonicContact NH1-OD2 3.71Å; R414-D497 PolarHBondContact NH1-OD2 2.86Å; R414-D497 IonicContact NH2-OD2 3.48Å; R414-D497 PolarHBondContact NH2-OD2 3.33Å; L493-D497 WeakPolarHBondContact O-CA 3.39Å; L493-D497 VanDerWaalsContact O-CB 3.32Å; L493-D497 WeakPolarHBondContact O-CB 3.37Å; L493-D497 PolarHBondContact O-N 3.35Å; D497-E499 PolarHBondContact OD1-N 3.04Å; D497-F500 HydrophobicContact CB-CB 3.79Å; D497-F500 WeakPolarHBondContact OD1-CB 3.43Å; D497-F500 PolarHBondContact OD1-N 3.2Å; D497-D501 PolarHBondContact O-N 2.75Å; D497-D501 VanDerWaalsContact O-N 3.08Å
498	K	80.9	Confident	82.9	Confident	127 Å²	127	41.8 Å²	41.8	55%	0.552	20%	0.2	S	C	*	.	H	α-helix	trans	-79.4	-33.8	-172.3	-66.8	162.7	-170.1	152.3	0	111.8	E502	K498-E502 WeakPolarHBondContact O-CB 3.35Å; K498-E502 PolarHBondContact O-N 3.03Å
499	E	81.5	Confident	82.5	Confident	80 Å²	80	38.4 Å²	38.4	37%	0.374	18%	0.183	S	C	.	.	H	α-helix	trans	-71.1	-37.6	177.2	-67	65.4	-141.9	0	0	110.3	V412 R414 L416 D497 A503	V412-E499 HydrophobicContact CG1-CG 4.33Å; R414-E499 IonicContact NH1-OE2 3.67Å; L416-E499 HydrophobicContact CD2-CB 3.98Å; D497-E499 PolarHBondContact OD1-N 3.04Å; E499-A503 VanDerWaalsContact O-CB 3.31Å; E499-A503 WeakPolarHBondContact O-CB 3.44Å; E499-A503 PolarHBondContact O-N 2.85Å
500	F	86.5	Confident	81.9	Confident	3 Å²	3	39.8 Å²	39.8	1%	0.013	19%	0.191	C	C	.	.	H	α-helix	trans	-67.6	-42.7	172	-174.4	-91.6	0	0	0	112.8	M405 L416 V427 L493 R494 D497 A503 T504	M405-F500 HydrophobicContact SD-CE2 4.34Å; L416-F500 HydrophobicContact CB-CD2 4.47Å; V427-F500 HydrophobicContact CG2-CE2 3.82Å; V427-F500 HydrophobicContact CG2-CZ 3.63Å; L493-F500 HydrophobicContact CB-CD1 4.08Å; L493-F500 HydrophobicContact CB-CE1 3.98Å; R494-F500 HydrophobicContact CG-CD1 3.83Å; R494-F500 HydrophobicContact CG-CE1 3.85Å; D497-F500 HydrophobicContact CB-CB 3.79Å; D497-F500 WeakPolarHBondContact OD1-CB 3.43Å; D497-F500 PolarHBondContact OD1-N 3.2Å; F500-A503 PolarHBondContact O-N 2.86Å; F500-T504 VanDerWaalsContact O-CB 3.31Å; F500-T504 WeakPolarHBondContact O-CB 3.28Å; F500-T504 PolarHBondContact O-N 3.48Å; F500-T504 PolarHBondContact O-OG1 2.72Å
501	D	82.5	Confident	81.3	Confident	12 Å²	12	41.6 Å²	41.6	6%	0.064	20%	0.201	C	C	.	.	H	α-helix	trans	-63.4	-40.8	173.4	-178.7	49.7	0	0	0	112	R494 D497 T504 Y505	R494-D501 HydrophobicContact CB-CB 4.2Å; R494-D501 HydrophobicContact CG-CB 4.39Å; R494-D501 IonicContact CZ-OD1 2.7Å; R494-D501 VanDerWaalsContact CZ-OD1 3.24Å; R494-D501 IonicContact NE-OD1 3.63Å; R494-D501 PolarHBondContact NE-OD1 3.34Å; R494-D501 IonicContact NH2-OD1 2.66Å; R494-D501 PolarHBondContact NH2-OD1 2.79Å; R494-D501 WeakPolarHBondContact O-CB 3.37Å; D497-D501 PolarHBondContact O-N 2.75Å; D497-D501 VanDerWaalsContact O-N 3.08Å; D501-T504 PolarHBondContact O-N 3.41Å; D501-Y505 WeakPolarHBondContact O-CB 3.33Å; D501-Y505 PolarHBondContact O-N 2.74Å
502	E	81.9	Confident	80.7	Confident	15 Å²	15	39.3 Å²	39.3	7%	0.07	19%	0.19	C	C	.	.	H	α-helix	trans	-66.4	-43	175.8	-169.7	170.1	148.5	0	0	111.9	F408 K498 Y505 M506 R711 H712 N715	F408-E502 HydrophobicContact CZ-CB 4.47Å; F408-E502 HydrophobicContact CZ-CG 4.16Å; K498-E502 WeakPolarHBondContact O-CB 3.35Å; K498-E502 PolarHBondContact O-N 3.03Å; E502-Y505 PolarHBondContact O-N 2.92Å; E502-M506 WeakPolarHBondContact O-CB 3.39Å; E502-M506 VanDerWaalsContact O-CG 3.31Å; E502-M506 WeakPolarHBondContact O-CG 3.45Å; E502-M506 PolarHBondContact O-N 3.01Å; E502-R711 VanDerWaalsContact OE2-CB 3.3Å; E502-R711 WeakPolarHBondContact OE2-CB 3.36Å; E502-H712 WeakPolarHBondContact OE1-CA 3.26Å; E502-N715 PolarHBondContact OE1-ND2 3.36Å; E502-N715 PolarHBondContact OE2-ND2 2.82Å
503	A	84.6	Confident	79.6	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.7	-48.9	174.3	0	0	0	0	0	111.7	M405 F408 L416 E499 F500 Y505 M506 F507	M405-A503 HydrophobicContact CE-CB 4.02Å; M405-A503 HydrophobicContact SD-CB 3.79Å; F408-A503 HydrophobicContact CB-CB 3.97Å; F408-A503 HydrophobicContact CD1-CB 3.53Å; F408-A503 HydrophobicContact CD2-CB 4.08Å; F408-A503 HydrophobicContact CE1-CB 3.93Å; F408-A503 HydrophobicContact CE2-CB 4.46Å; F408-A503 HydrophobicContact CG-CB 3.6Å; F408-A503 HydrophobicContact CZ-CB 4.39Å; L416-A503 HydrophobicContact CD1-CB 3.9Å; E499-A503 VanDerWaalsContact O-CB 3.31Å; E499-A503 WeakPolarHBondContact O-CB 3.44Å; E499-A503 PolarHBondContact O-N 2.85Å; F500-A503 PolarHBondContact O-N 2.86Å; A503-Y505 VanDerWaalsContact C-N 3.33Å; A503-Y505 PolarHBondContact O-N 2.62Å; A503-M506 PolarHBondContact O-N 3.14Å; A503-F507 PolarHBondContact O-N 3.06Å; A503-F507 VanDerWaalsContact O-N 3.14Å
504	T	85.4	Confident	77.9	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-59.9	-45	177.4	-56	0	0	0	0	110.7	Y401 R494 F500 D501 M506 F507 E508 V520	Y401-T504 HydrophobicContact CE2-CG2 4.01Å; Y401-T504 PolarHBondContact OH-OG1 2.86Å; R494-T504 VanDerWaalsContact NH1-CG2 3.32Å; F500-T504 VanDerWaalsContact O-CB 3.31Å; F500-T504 WeakPolarHBondContact O-CB 3.28Å; F500-T504 PolarHBondContact O-N 3.48Å; F500-T504 PolarHBondContact O-OG1 2.72Å; D501-T504 PolarHBondContact O-N 3.41Å; T504-M506 PolarHBondContact O-N 3.36Å; T504-F507 WeakPolarHBondContact O-CB 3.3Å; T504-F507 PolarHBondContact O-N 2.88Å; T504-E508 WeakPolarHBondContact O-CG 3.4Å; T504-E508 PolarHBondContact O-N 2.64Å; T504-V520 HydrophobicContact CG2-CB 4.12Å; T504-V520 HydrophobicContact CG2-CG2 4.05Å
505	Y	81.1	Confident	76.1	Confident	15 Å²	15	52.3 Å²	52.3	6%	0.059	25%	0.245	C	C	.	.	H	α-helix	trans	-64.8	-39.4	178.9	-177.9	-105.7	0	0	0	112.7	D501 E502 A503 F507 E508 T509 Q705 A708 V709	D501-Y505 WeakPolarHBondContact O-CB 3.33Å; D501-Y505 PolarHBondContact O-N 2.74Å; E502-Y505 PolarHBondContact O-N 2.92Å; A503-Y505 VanDerWaalsContact C-N 3.33Å; A503-Y505 PolarHBondContact O-N 2.62Å; Y505-F507 VanDerWaalsContact C-N 3.34Å; Y505-F507 PolarHBondContact O-N 2.78Å; Y505-E508 HydrophobicContact CD2-CB 4.45Å; Y505-E508 CarbonylContact O-C 3.5Å; Y505-E508 WeakPolarHBondContact O-CA 3.39Å; Y505-E508 WeakPolarHBondContact O-CB 3.17Å; Y505-E508 PolarHBondContact O-N 2.75Å; Y505-E508 VanDerWaalsContact O-N 3.1Å; Y505-T509 HydrophobicContact CD1-CG2 4.12Å; Y505-T509 HydrophobicContact CE1-CG2 3.36Å; Y505-T509 HydrophobicContact CE2-CG2 3.89Å; Y505-T509 PolarHBondContact O-N 3.1Å; Y505-T509 WeakPolarHBondContact OH-CG2 3.32Å; Y505-Q705 HydrophobicContact CD2-CG 4.41Å; Y505-Q705 HydrophobicContact CE2-CB 4.38Å; Y505-Q705 HydrophobicContact CE2-CG 3.46Å; Y505-Q705 VanDerWaalsContact CE2-CG 3.46Å; Y505-A708 HydrophobicContact CD1-CB 3.29Å; Y505-A708 HydrophobicContact CD2-CB 3.98Å; Y505-A708 HydrophobicContact CE1-CB 4.01Å; Y505-A708 HydrophobicContact CG-CB 3.27Å; Y505-V709 HydrophobicContact CE1-CB 4.24Å; Y505-V709 HydrophobicContact CE1-CG2 3.51Å; Y505-V709 WeakPolarHBondContact OH-CG2 3.27Å
506	M	78.2	Confident	74.6	Confident	8 Å²	8	54.2 Å²	54.2	4%	0.039	25%	0.249	C	C	.	.	H	α-helix	trans	-62.7	-42.9	177.5	-76.4	-55.8	-59.8	0	0	111.5	Y404 F408 E502 A503 T504 E508 T509 E510 H712	Y404-M506 HydrophobicContact CE1-CB 3.98Å; Y404-M506 WeakPolarHBondContact OH-CB 3.16Å; F408-M506 HydrophobicContact CE2-CG 4.26Å; E502-M506 WeakPolarHBondContact O-CB 3.39Å; E502-M506 VanDerWaalsContact O-CG 3.31Å; E502-M506 WeakPolarHBondContact O-CG 3.45Å; E502-M506 PolarHBondContact O-N 3.01Å; A503-M506 PolarHBondContact O-N 3.14Å; T504-M506 PolarHBondContact O-N 3.36Å; M506-E508 VanDerWaalsContact C-N 3.35Å; M506-E508 PolarHBondContact O-N 3.02Å; M506-T509 PolarHBondContact O-N 3.14Å; M506-T509 PolarHBondContact O-OG1 3.35Å; M506-E510 HydrophobicContact CE-CG 4.22Å; M506-E510 VanDerWaalsContact CE-OE1 3.29Å; M506-E510 WeakPolarHBondContact CE-OE1 3.27Å; M506-E510 PolarHBondContact O-N 3.34Å; M506-H712 WeakPolarHBondContact CE-CD2 3.26Å; M506-H712 HydrophobicContact CG-CB 4.38Å; M506-H712 HydrophobicContact SD-CB 3.54Å; M506-H712 VanDerWaalsContact SD-CB 3.54Å; M506-H712 PolarHBondContact SD-CD2 2.69Å
507	F	84.6	Confident	73.1	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-57	-44	169.5	179.6	-92.7	0	0	0	112.6	L400 Y401 Y404 M405 A503 T504 Y505 T509 E510 V511 F512 V520	L400-F507 HydrophobicContact CB-CE2 4.03Å; Y401-F507 VanDerWaalsContact CA-CE2 3.5Å; Y401-F507 HydrophobicContact CD2-CB 4.36Å; Y401-F507 AromaticContact CD2-CD1 3.56Å; Y401-F507 HydrophobicContact CD2-CD1 3.56Å; Y401-F507 HydrophobicContact CD2-CD2 4.2Å; Y401-F507 AromaticContact CD2-CE1 3.79Å; Y401-F507 HydrophobicContact CD2-CE1 3.79Å; Y401-F507 HydrophobicContact CD2-CE2 4.4Å; Y401-F507 AromaticContact CD2-CG 3.79Å; Y401-F507 HydrophobicContact CD2-CG 3.79Å; Y401-F507 HydrophobicContact CD2-CZ 4.22Å; Y401-F507 HydrophobicContact CE2-CD1 4.28Å; Y401-F507 HydrophobicContact CG-CD1 4.4Å; Y401-F507 HydrophobicContact CG-CE1 4.19Å; Y401-F507 HydrophobicContact CG-CZ 4.35Å; Y404-F507 HydrophobicContact CD1-CB 4.01Å; Y404-F507 HydrophobicContact CD2-CD2 4.13Å; Y404-F507 HydrophobicContact CE1-CB 4.38Å; Y404-F507 HydrophobicContact CG-CB 4.13Å; Y404-F507 AromaticContact CG-CD2 3.92Å; Y404-F507 HydrophobicContact CG-CD2 3.92Å; M405-F507 HydrophobicContact CE-CB 4.3Å; A503-F507 PolarHBondContact O-N 3.06Å; A503-F507 VanDerWaalsContact O-N 3.14Å; T504-F507 WeakPolarHBondContact O-CB 3.3Å; T504-F507 PolarHBondContact O-N 2.88Å; Y505-F507 VanDerWaalsContact C-N 3.34Å; Y505-F507 PolarHBondContact O-N 2.78Å; F507-T509 PolarHBondContact O-N 3.03Å; F507-E510 PolarHBondContact O-N 2.8Å; F507-V511 HydrophobicContact CD2-CB 4.08Å; F507-V511 HydrophobicContact CD2-CG2 3.58Å; F507-V511 HydrophobicContact CE1-CB 4.46Å; F507-V511 HydrophobicContact CE2-CB 3.83Å; F507-V511 HydrophobicContact CE2-CG1 4Å; F507-V511 HydrophobicContact CE2-CG2 3.52Å; F507-V511 HydrophobicContact CG-CB 4.49Å; F507-V511 HydrophobicContact CG-CG2 4.35Å; F507-V511 HydrophobicContact CZ-CB 4.03Å; F507-V511 HydrophobicContact CZ-CG1 3.92Å; F507-V511 HydrophobicContact CZ-CG2 4.23Å; F507-V511 PolarHBondContact O-N 3.32Å; F507-F512 HydrophobicContact CD1-CE2 4.33Å; F507-F512 HydrophobicContact CD1-CZ 4.39Å; F507-F512 HydrophobicContact CE1-CD1 4.45Å; F507-F512 AromaticContact CE1-CE1 3.84Å; F507-F512 HydrophobicContact CE1-CE1 3.84Å; F507-F512 AromaticContact CE1-CE2 3.91Å; F507-F512 HydrophobicContact CE1-CE2 3.91Å; F507-F512 AromaticContact CE1-CZ 3.54Å; F507-F512 HydrophobicContact CE1-CZ 3.54Å; F507-F512 HydrophobicContact CZ-CE1 4.28Å; F507-F512 HydrophobicContact CZ-CZ 4.33Å; F507-V520 HydrophobicContact CD1-CG2 3.81Å; F507-V520 HydrophobicContact CE1-CG2 4.03Å
508	E	81.3	Confident	71.9	Confident	9 Å²	9	51.7 Å²	51.7	4%	0.042	24%	0.239	C	C	.	.	H	α-helix	trans	-62.4	-21.9	174.7	-67.7	169.7	158	0	0	113.8	R494 T504 Y505 M506 F512 A519 V520	R494-E508 IonicContact CZ-OE1 3.87Å; R494-E508 IonicContact CZ-OE2 3.94Å; R494-E508 IonicContact NH1-OE1 2.77Å; R494-E508 PolarHBondContact NH1-OE1 2.82Å; R494-E508 IonicContact NH1-OE2 3.2Å; R494-E508 PolarHBondContact NH1-OE2 3.03Å; R494-E508 IonicContact NH2-OE1 3.44Å; R494-E508 IonicContact NH2-OE2 3.64Å; R494-E508 PolarHBondContact NH2-OE2 3.4Å; T504-E508 WeakPolarHBondContact O-CG 3.4Å; T504-E508 PolarHBondContact O-N 2.64Å; Y505-E508 HydrophobicContact CD2-CB 4.45Å; Y505-E508 CarbonylContact O-C 3.5Å; Y505-E508 WeakPolarHBondContact O-CA 3.39Å; Y505-E508 WeakPolarHBondContact O-CB 3.17Å; Y505-E508 PolarHBondContact O-N 2.75Å; Y505-E508 VanDerWaalsContact O-N 3.1Å; M506-E508 VanDerWaalsContact C-N 3.35Å; M506-E508 PolarHBondContact O-N 3.02Å; E508-F512 HydrophobicContact CB-CD2 4.48Å; E508-F512 HydrophobicContact CG-CD2 4.24Å; E508-F512 WeakPolarHBondContact O-CB 3.03Å; E508-A519 VanDerWaalsContact OE1-CA 3.26Å; E508-A519 WeakPolarHBondContact OE1-CA 3.22Å; E508-A519 WeakPolarHBondContact OE1-CB 3.37Å; E508-V520 HydrophobicContact CG-CG2 3.95Å; E508-V520 PolarHBondContact OE1-N 3.44Å
509	T	73.5	Confident	71.5	Confident	30 Å²	30	45.7 Å²	45.7	18%	0.184	21%	0.213	C	C	.	.	H	α-helix	trans	-89.8	-44.1	173.7	63.6	0	0	0	0	113.7	Y505 M506 F507 R514	Y505-T509 HydrophobicContact CD1-CG2 4.12Å; Y505-T509 HydrophobicContact CE1-CG2 3.36Å; Y505-T509 HydrophobicContact CE2-CG2 3.89Å; Y505-T509 PolarHBondContact O-N 3.1Å; Y505-T509 WeakPolarHBondContact OH-CG2 3.32Å; M506-T509 PolarHBondContact O-N 3.14Å; M506-T509 PolarHBondContact O-OG1 3.35Å; F507-T509 PolarHBondContact O-N 3.03Å; T509-R514 PolarHBondContact O-N 2.96Å
510	E	74.6	Confident	71.4	Confident	109 Å²	109	41.9 Å²	41.9	51%	0.509	20%	0.195	S	C	.	.	H	α-helix	trans	-81	-50.6	-171.2	-67.3	-177.7	163.9	0	0	111.2	Y404 M506 F507	Y404-E510 WeakPolarHBondContact CE2-OE2 3.42Å; Y404-E510 VanDerWaalsContact CZ-OE2 3.27Å; Y404-E510 PolarHBondContact OH-OE2 3.01Å; M506-E510 HydrophobicContact CE-CG 4.22Å; M506-E510 VanDerWaalsContact CE-OE1 3.29Å; M506-E510 WeakPolarHBondContact CE-OE1 3.27Å; M506-E510 PolarHBondContact O-N 3.34Å; F507-E510 PolarHBondContact O-N 2.8Å
511	V	72.6	Confident	71	Confident	37 Å²	37	43.1 Å²	43.1	22%	0.224	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-45.8	-176.2	-177.7	0	0	0	0	111.4	E396 F507 K513	E396-V511 HydrophobicContact CG-CG1 4Å; F507-V511 HydrophobicContact CD2-CB 4.08Å; F507-V511 HydrophobicContact CD2-CG2 3.58Å; F507-V511 HydrophobicContact CE1-CB 4.46Å; F507-V511 HydrophobicContact CE2-CB 3.83Å; F507-V511 HydrophobicContact CE2-CG1 4Å; F507-V511 HydrophobicContact CE2-CG2 3.52Å; F507-V511 HydrophobicContact CG-CB 4.49Å; F507-V511 HydrophobicContact CG-CG2 4.35Å; F507-V511 HydrophobicContact CZ-CB 4.03Å; F507-V511 HydrophobicContact CZ-CG1 3.92Å; F507-V511 HydrophobicContact CZ-CG2 4.23Å; F507-V511 PolarHBondContact O-N 3.32Å; V511-K513 PolarHBondContact O-N 2.87Å
512	F	69.8	Low	70.7	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	13	178.6	-62.7	-17.6	0	0	0	114.3	E396 M397 F507 E508 K516 K517 V520 Q523	E396-F512 HydrophobicContact CB-CE1 4.39Å; E396-F512 WeakPolarHBondContact OE2-CE1 3.39Å; M397-F512 HydrophobicContact SD-CZ 4.01Å; F507-F512 HydrophobicContact CD1-CE2 4.33Å; F507-F512 HydrophobicContact CD1-CZ 4.39Å; F507-F512 HydrophobicContact CE1-CD1 4.45Å; F507-F512 AromaticContact CE1-CE1 3.84Å; F507-F512 HydrophobicContact CE1-CE1 3.84Å; F507-F512 AromaticContact CE1-CE2 3.91Å; F507-F512 HydrophobicContact CE1-CE2 3.91Å; F507-F512 AromaticContact CE1-CZ 3.54Å; F507-F512 HydrophobicContact CE1-CZ 3.54Å; F507-F512 HydrophobicContact CZ-CE1 4.28Å; F507-F512 HydrophobicContact CZ-CZ 4.33Å; E508-F512 HydrophobicContact CB-CD2 4.48Å; E508-F512 HydrophobicContact CG-CD2 4.24Å; E508-F512 WeakPolarHBondContact O-CB 3.03Å; F512-K516 PolarHBondContact O-N 3.43Å; F512-K516 VanDerWaalsContact O-N 3.09Å; F512-K517 HydrophobicContact CB-CB 3.85Å; F512-K517 HydrophobicContact CB-CG 4.45Å; F512-K517 HydrophobicContact CD1-CB 3.94Å; F512-K517 HydrophobicContact CD1-CD 3.93Å; F512-K517 HydrophobicContact CD1-CG 4.34Å; F512-K517 HydrophobicContact CD2-CB 4.45Å; F512-K517 HydrophobicContact CE1-CD 4.39Å; F512-K517 HydrophobicContact CG-CB 3.83Å; F512-K517 PolarHBondContact O-N 2.85Å; F512-V520 HydrophobicContact CE2-CG2 3.83Å; F512-V520 HydrophobicContact CZ-CG2 4.42Å; F512-Q523 HydrophobicContact CD2-CG 4.38Å; F512-Q523 HydrophobicContact CE2-CB 4.36Å; F512-Q523 HydrophobicContact CE2-CG 3.7Å; F512-Q523 HydrophobicContact CZ-CB 4.3Å; F512-Q523 HydrophobicContact CZ-CG 3.8Å
513	K	59.5	Low	70.6	Confident	159 Å²	159	44 Å²	44	69%	0.691	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.9	70.1	172.1	-63.2	-176.7	-178.1	178.7	0	113.1	V511 K516	V511-K513 PolarHBondContact O-N 2.87Å; K513-K516 WeakPolarHBondContact O-CG 3.4Å; K513-K516 PolarHBondContact O-N 3.32Å
514	R	50.2	Low	70.5	Confident	231 Å²	231	44 Å²	44	87%	0.872	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	54.5	-178.5	-75.3	-176.3	166.9	173.3	-3.7	113.1	T509 K516	T509-R514 PolarHBondContact O-N 2.96Å; R514-K516 VanDerWaalsContact C-N 3.29Å; R514-K516 PolarHBondContact O-N 2.83Å
515	G	44.7	Very low	70.2	Confident	26 Å²	26	45.1 Å²	45.1	27%	0.268	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	14.8	172.9	0	0	0	0	0	115.3	G518	G515-G518 PolarHBondContact O-N 2.84Å
516	K	47.9	Very low	70.2	Confident	147 Å²	147	45.8 Å²	45.8	64%	0.639	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-38	172.6	-77.8	-171.5	175.3	-169.1	0	111.9	R339 F512 K513 R514 G518	R339-K516 VanDerWaalsContact CZ-O 3.28Å; R339-K516 PolarHBondContact NH1-O 3.12Å; R339-K516 PolarHBondContact NH2-O 2.87Å; F512-K516 PolarHBondContact O-N 3.43Å; F512-K516 VanDerWaalsContact O-N 3.09Å; K513-K516 WeakPolarHBondContact O-CG 3.4Å; K513-K516 PolarHBondContact O-N 3.32Å; R514-K516 VanDerWaalsContact C-N 3.29Å; R514-K516 PolarHBondContact O-N 2.83Å; K516-G518 VanDerWaalsContact C-N 3.34Å
517	K	50.6	Low	70.6	Confident	63 Å²	63	45.4 Å²	45.4	27%	0.274	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	15.8	173.4	-55.2	-164.9	-176.4	-175	0	114.4	E396 F512 Q523	E396-K517 IonicContact OE1-NZ 2.68Å; E396-K517 PolarHBondContact OE1-NZ 3.14Å; E396-K517 IonicContact OE2-NZ 2.77Å; E396-K517 PolarHBondContact OE2-NZ 3.36Å; F512-K517 HydrophobicContact CB-CB 3.85Å; F512-K517 HydrophobicContact CB-CG 4.45Å; F512-K517 HydrophobicContact CD1-CB 3.94Å; F512-K517 HydrophobicContact CD1-CD 3.93Å; F512-K517 HydrophobicContact CD1-CG 4.34Å; F512-K517 HydrophobicContact CD2-CB 4.45Å; F512-K517 HydrophobicContact CE1-CD 4.39Å; F512-K517 HydrophobicContact CG-CB 3.83Å; F512-K517 PolarHBondContact O-N 2.85Å; K517-Q523 VanDerWaalsContact O-CG 3.24Å; K517-Q523 WeakPolarHBondContact O-CG 3.36Å; K517-Q523 PolarHBondContact O-NE2 3.33Å
518	G	58.2	Low	70.5	Confident	14 Å²	14	46.3 Å²	46.3	14%	0.144	22%	0.218	C	C	.	.			trans	71.6	-156.1	-176.1	0	0	0	0	0	113.1	G515 K516	G515-G518 PolarHBondContact O-N 2.84Å; K516-G518 VanDerWaalsContact C-N 3.34Å
519	A	71.5	Confident	70.3	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.008	22%	0.218	C	C	.	.			trans	-98.2	159.8	175.5	0	0	0	0	0	112.6	E508 I521 Q522 Q523 Y701	E508-A519 VanDerWaalsContact OE1-CA 3.26Å; E508-A519 WeakPolarHBondContact OE1-CA 3.22Å; E508-A519 WeakPolarHBondContact OE1-CB 3.37Å; A519-I521 PolarHBondContact O-N 3.33Å; A519-Q522 HydrophobicContact CB-CG 4.43Å; A519-Q522 CarbonylContact O-C 3.53Å; A519-Q522 WeakPolarHBondContact O-CB 3.46Å; A519-Q522 PolarHBondContact O-N 3.39Å; A519-Q523 WeakPolarHBondContact O-CB 3.23Å; A519-Q523 WeakPolarHBondContact O-CG 3.46Å; A519-Q523 PolarHBondContact O-N 3.36Å; A519-Y701 HydrophobicContact CB-CE2 3.61Å; A519-Y701 WeakPolarHBondContact CB-OH 3.44Å; A519-Y701 PolarHBondContact N-OH 3.29Å
520	V	79.5	Confident	70.9	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-51.2	-43.6	174.2	163.2	0	0	0	0	111.6	M397 Y401 L490 T504 F507 E508 F512 Q522 Q523 L524	M397-V520 HydrophobicContact CE-CG1 3.9Å; Y401-V520 HydrophobicContact CD2-CG2 4.06Å; Y401-V520 HydrophobicContact CE1-CG1 4.04Å; Y401-V520 HydrophobicContact CE2-CG1 4.27Å; Y401-V520 HydrophobicContact CE2-CG2 3.83Å; L490-V520 HydrophobicContact CD1-CG1 4.13Å; L490-V520 HydrophobicContact CD2-CG1 4.27Å; T504-V520 HydrophobicContact CG2-CB 4.12Å; T504-V520 HydrophobicContact CG2-CG2 4.05Å; F507-V520 HydrophobicContact CD1-CG2 3.81Å; F507-V520 HydrophobicContact CE1-CG2 4.03Å; E508-V520 HydrophobicContact CG-CG2 3.95Å; E508-V520 PolarHBondContact OE1-N 3.44Å; F512-V520 HydrophobicContact CE2-CG2 3.83Å; F512-V520 HydrophobicContact CZ-CG2 4.42Å; V520-Q522 PolarHBondContact O-N 3.06Å; V520-Q523 PolarHBondContact O-N 2.84Å; V520-Q523 VanDerWaalsContact O-N 3.17Å; V520-L524 PolarHBondContact O-N 3.28Å
521	I	78.3	Confident	71.3	Confident	30 Å²	30	40.1 Å²	40.1	15%	0.154	19%	0.187	C	C	.	.	H	α-helix	trans	-57.8	-47.5	176.7	-63.9	159.9	0	0	0	110.9	L487 L490 L491 A519 Q523 L524	L487-I521 HydrophobicContact CD2-CG2 3.6Å; L487-I521 VanDerWaalsContact CD2-O 3.27Å; L487-I521 WeakPolarHBondContact CD2-O 3.36Å; L490-I521 HydrophobicContact CD2-CD1 4.24Å; L490-I521 HydrophobicContact CD2-CG1 3.54Å; L491-I521 HydrophobicContact CD2-CD1 3.65Å; L491-I521 HydrophobicContact CG-CD1 4.03Å; A519-I521 PolarHBondContact O-N 3.33Å; I521-Q523 VanDerWaalsContact C-N 3.3Å; I521-Q523 PolarHBondContact O-N 3.29Å; I521-L524 PolarHBondContact O-N 3.44Å
522	Q	76.5	Confident	71.6	Confident	37 Å²	37	38.6 Å²	38.6	17%	0.173	18%	0.177	C	C	.	.	H	α-helix	trans	-70.7	-28.7	179.4	-66.1	165.2	-15.9	0	0	112	A519 V520 L524 D525 P597 G598 Y701	A519-Q522 HydrophobicContact CB-CG 4.43Å; A519-Q522 CarbonylContact O-C 3.53Å; A519-Q522 WeakPolarHBondContact O-CB 3.46Å; A519-Q522 PolarHBondContact O-N 3.39Å; V520-Q522 PolarHBondContact O-N 3.06Å; Q522-L524 VanDerWaalsContact C-N 3.33Å; Q522-D525 PolarHBondContact O-N 3.13Å; Q522-P597 WeakPolarHBondContact O-CB 3.18Å; Q522-G598 PolarHBondContact O-N 3.05Å; Q522-Y701 PolarHBondContact OE1-OH 2.83Å
523	Q	80.1	Confident	72.3	Confident	7 Å²	7	39.8 Å²	39.8	3%	0.033	18%	0.182	C	C	.	.	H	α-helix	trans	-72.3	-23.5	177.9	-74.2	-70.5	-87.7	0	0	112.4	Y393 F512 K517 A519 V520 I521 D525 Q526 P597	Y393-Q523 HydrophobicContact CD2-CB 4.46Å; Y393-Q523 HydrophobicContact CE2-CB 3.97Å; Y393-Q523 WeakPolarHBondContact CE2-O 3.31Å; Y393-Q523 PolarHBondContact OH-O 3.09Å; Y393-Q523 VanDerWaalsContact OH-O 3.13Å; F512-Q523 HydrophobicContact CD2-CG 4.38Å; F512-Q523 HydrophobicContact CE2-CB 4.36Å; F512-Q523 HydrophobicContact CE2-CG 3.7Å; F512-Q523 HydrophobicContact CZ-CB 4.3Å; F512-Q523 HydrophobicContact CZ-CG 3.8Å; K517-Q523 VanDerWaalsContact O-CG 3.24Å; K517-Q523 WeakPolarHBondContact O-CG 3.36Å; K517-Q523 PolarHBondContact O-NE2 3.33Å; A519-Q523 WeakPolarHBondContact O-CB 3.23Å; A519-Q523 WeakPolarHBondContact O-CG 3.46Å; A519-Q523 PolarHBondContact O-N 3.36Å; V520-Q523 PolarHBondContact O-N 2.84Å; V520-Q523 VanDerWaalsContact O-N 3.17Å; I521-Q523 VanDerWaalsContact C-N 3.3Å; I521-Q523 PolarHBondContact O-N 3.29Å; Q523-D525 PolarHBondContact O-N 3.32Å; Q523-Q526 WeakPolarHBondContact O-CB 3.24Å; Q523-Q526 PolarHBondContact O-N 3.17Å; Q523-P597 VanDerWaalsContact NE2-CG 3.33Å
524	L	83.3	Confident	73.7	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-26	172.1	-62.1	-170.2	0	0	0	113.3	M397 I430 F479 F486 L487 V520 I521 Q522 Q526	M397-L524 HydrophobicContact CE-CD2 4.11Å; I430-L524 HydrophobicContact CD1-CD1 4.14Å; I430-L524 HydrophobicContact CD1-CD2 4.32Å; I430-L524 HydrophobicContact CG2-CD2 4.32Å; F479-L524 WeakPolarHBondContact CE1-O 3.48Å; F479-L524 HydrophobicContact CZ-CB 4.13Å; F479-L524 HydrophobicContact CZ-CD2 4.12Å; F486-L524 HydrophobicContact CB-CD1 4.29Å; L487-L524 HydrophobicContact CD2-CB 4.19Å; L487-L524 HydrophobicContact CD2-CD1 4.03Å; L487-L524 HydrophobicContact CG-CD1 4.3Å; V520-L524 PolarHBondContact O-N 3.28Å; I521-L524 PolarHBondContact O-N 3.44Å; Q522-L524 VanDerWaalsContact C-N 3.33Å; L524-Q526 PolarHBondContact O-N 2.68Å
525	D	78.1	Confident	75.4	Confident	24 Å²	24	21.8 Å²	21.8	13%	0.128	11%	0.11	C	C	.	.	H	α-helix	trans	-67.6	-18.7	173.1	-70.8	-45.3	0	0	0	113.4	K483 Q522 Q523 V527 H528 Q529	K483-D525 IonicContact NZ-OD1 3.79Å; K483-D525 PolarHBondContact NZ-OD1 3.37Å; Q522-D525 PolarHBondContact O-N 3.13Å; Q523-D525 PolarHBondContact O-N 3.32Å; D525-V527 PolarHBondContact O-N 3.15Å; D525-V527 VanDerWaalsContact O-N 3.17Å; D525-H528 PolarHBondContact O-N 3.2Å; D525-H528 VanDerWaalsContact O-N 3.09Å; D525-Q529 WeakPolarHBondContact O-CB 3.46Å; D525-Q529 WeakPolarHBondContact O-CG 3.43Å; D525-Q529 PolarHBondContact O-N 3.46Å
526	Q	81.6	Confident	77.2	Confident	29 Å²	29	20.8 Å²	20.8	14%	0.136	10%	0.098	C	C	.	.	H	α-helix	trans	-62.1	-28.6	-173	-173.3	62.9	100.9	0	0	112.9	Y390 Y393 Q523 L524 N530 P597	Y390-Q526 HydrophobicContact CD2-CG 4.22Å; Y393-Q526 HydrophobicContact CD1-CB 4.19Å; Y393-Q526 HydrophobicContact CD1-CG 3.82Å; Y393-Q526 HydrophobicContact CD2-CB 3.95Å; Y393-Q526 HydrophobicContact CD2-CG 3.9Å; Y393-Q526 HydrophobicContact CE1-CB 4.02Å; Y393-Q526 HydrophobicContact CE1-CG 4.16Å; Y393-Q526 HydrophobicContact CE2-CB 3.75Å; Y393-Q526 HydrophobicContact CE2-CG 4.21Å; Y393-Q526 HydrophobicContact CG-CB 4.17Å; Y393-Q526 HydrophobicContact CG-CG 3.7Å; Q523-Q526 WeakPolarHBondContact O-CB 3.24Å; Q523-Q526 PolarHBondContact O-N 3.17Å; L524-Q526 PolarHBondContact O-N 2.68Å; Q526-N530 VanDerWaalsContact NE2-CG 3.31Å; Q526-N530 PolarHBondContact NE2-ND2 3.01Å; Q526-N530 PolarHBondContact NE2-OD1 3.14Å; Q526-N530 WeakPolarHBondContact O-CB 3.39Å; Q526-N530 PolarHBondContact O-N 2.91Å; Q526-N530 PolarHBondContact O-ND2 3.32Å; Q526-P597 HydrophobicContact CB-CG 4.29Å; Q526-P597 HydrophobicContact CG-CG 4.46Å
527	V	86.4	Confident	79	Confident	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-63.7	-54	172.6	178.8	0	0	0	0	110.7	Y390 Y393 M434 C476 F479 L480 D525 Q529 N530 F531	Y390-V527 HydrophobicContact CE2-CG2 4.33Å; Y390-V527 WeakPolarHBondContact OH-CG1 3.3Å; Y393-V527 HydrophobicContact CE1-CG2 3.91Å; M434-V527 HydrophobicContact CE-CG2 3.7Å; M434-V527 HydrophobicContact SD-CG2 4.07Å; C476-V527 HydrophobicContact CB-CG1 3.97Å; F479-V527 HydrophobicContact CD1-CB 3.78Å; F479-V527 HydrophobicContact CD1-CG1 3.76Å; F479-V527 HydrophobicContact CD1-CG2 3.78Å; F479-V527 HydrophobicContact CE1-CB 3.85Å; F479-V527 HydrophobicContact CE1-CG1 4.35Å; F479-V527 HydrophobicContact CE1-CG2 3.72Å; L480-V527 HydrophobicContact CD2-CB 4.35Å; L480-V527 HydrophobicContact CD2-CG1 3.95Å; L480-V527 HydrophobicContact CG-CG1 4.22Å; D525-V527 PolarHBondContact O-N 3.15Å; D525-V527 VanDerWaalsContact O-N 3.17Å; V527-Q529 VanDerWaalsContact C-N 3.31Å; V527-Q529 PolarHBondContact O-N 3.4Å; V527-N530 PolarHBondContact O-N 3.2Å; V527-F531 WeakPolarHBondContact O-CB 3.27Å; V527-F531 PolarHBondContact O-N 2.8Å
528	H	82.3	Confident	80.8	Confident	19 Å²	19	10.9 Å²	10.9	9%	0.088	6%	0.055	C	C	.	.	H	α-helix	trans	-61.7	-42.8	179.7	-175.1	-133.7	0	0	0	111.1	L480 D525 N530 F531 M532 N570 L575	L480-H528 HydrophobicContact CD2-CB 3.54Å; D525-H528 PolarHBondContact O-N 3.2Å; D525-H528 VanDerWaalsContact O-N 3.09Å; H528-N530 PolarHBondContact O-N 2.99Å; H528-F531 PolarHBondContact O-N 3.06Å; H528-M532 WeakPolarHBondContact O-CB 3.38Å; H528-M532 WeakPolarHBondContact O-CG 3.23Å; H528-M532 PolarHBondContact O-N 3.16Å; H528-N570 PolarHBondContact NE2-OD1 3.12Å; H528-L575 VanDerWaalsContact CE1-CD1 3.41Å; H528-L575 WeakPolarHBondContact CE1-CD1 3.22Å
529	Q	78	Confident	82.2	Confident	10 Å²	10	11.2 Å²	11.2	5%	0.047	5%	0.054	C	C	.	.	H	α-helix	trans	-66	-38.1	-179.4	-71.8	-178.2	-4.5	0	0	113.1	D525 V527 R533 L595 E596 P597	D525-Q529 WeakPolarHBondContact O-CB 3.46Å; D525-Q529 WeakPolarHBondContact O-CG 3.43Å; D525-Q529 PolarHBondContact O-N 3.46Å; V527-Q529 VanDerWaalsContact C-N 3.31Å; V527-Q529 PolarHBondContact O-N 3.4Å; Q529-R533 WeakPolarHBondContact O-CB 3.34Å; Q529-R533 PolarHBondContact O-N 2.7Å; Q529-L595 HydrophobicContact CB-CB 4.13Å; Q529-L595 HydrophobicContact CG-CB 4.21Å; Q529-L595 WeakPolarHBondContact O-CD1 3.48Å; Q529-L595 PolarHBondContact OE1-O 3.03Å; Q529-E596 VanDerWaalsContact NE2-C 3.35Å; Q529-E596 PolarHBondContact NE2-O 3Å; Q529-E596 PolarHBondContact OE1-O 3.33Å; Q529-P597 VanDerWaalsContact OE1-CA 3.27Å
530	N	84.7	Confident	82.7	Confident	7 Å²	7	13.4 Å²	13.4	4%	0.037	6%	0.062	C	C	.	.	H	α-helix	trans	-78.8	-36.9	177.4	-73	-24	0	0	0	112.6	Y390 Q526 V527 H528 M532 R533 Y534	Y390-N530 VanDerWaalsContact CB-ND2 3.32Å; Y390-N530 WeakPolarHBondContact CB-ND2 3.43Å; Y390-N530 HydrophobicContact CD1-CB 4.07Å; Y390-N530 HydrophobicContact CD2-CB 4.08Å; Y390-N530 WeakPolarHBondContact CD2-ND2 3.42Å; Y390-N530 HydrophobicContact CE1-CB 4.28Å; Y390-N530 HydrophobicContact CE2-CB 4.26Å; Y390-N530 HydrophobicContact CG-CB 3.99Å; Q526-N530 VanDerWaalsContact NE2-CG 3.31Å; Q526-N530 PolarHBondContact NE2-ND2 3.01Å; Q526-N530 PolarHBondContact NE2-OD1 3.14Å; Q526-N530 WeakPolarHBondContact O-CB 3.39Å; Q526-N530 PolarHBondContact O-N 2.91Å; Q526-N530 PolarHBondContact O-ND2 3.32Å; V527-N530 PolarHBondContact O-N 3.2Å; H528-N530 PolarHBondContact O-N 2.99Å; N530-M532 VanDerWaalsContact C-N 3.29Å; N530-M532 PolarHBondContact O-N 3.14Å; N530-R533 PolarHBondContact O-N 3.38Å; N530-Y534 WeakPolarHBondContact O-CD2 3.24Å; N530-Y534 WeakPolarHBondContact O-CE2 3.33Å; N530-Y534 PolarHBondContact O-N 2.95Å
531	F	84.3	Confident	83.2	Confident	1 Å²	1	13.4 Å²	13.4	0%	0.004	6%	0.062	C	C	.	.	H	α-helix	trans	-52.3	-46.5	167.6	175.4	-99.6	0	0	0	111.8	L473 C476 L480 V527 H528 V565 T566 V569	L473-F531 HydrophobicContact CB-CD2 4.12Å; L473-F531 HydrophobicContact CB-CE2 4.12Å; C476-F531 HydrophobicContact CB-CD2 4.23Å; L480-F531 HydrophobicContact CD1-CD1 4.04Å; L480-F531 HydrophobicContact CD1-CD2 4.49Å; L480-F531 HydrophobicContact CD1-CE1 4.28Å; L480-F531 HydrophobicContact CD1-CG 4.14Å; V527-F531 WeakPolarHBondContact O-CB 3.27Å; V527-F531 PolarHBondContact O-N 2.8Å; H528-F531 PolarHBondContact O-N 3.06Å; F531-V565 HydrophobicContact CE2-CG1 3.69Å; F531-V565 HydrophobicContact CZ-CG1 3.73Å; F531-T566 HydrophobicContact CD1-CG2 4.02Å; F531-T566 HydrophobicContact CE1-CG2 3.72Å; F531-T566 HydrophobicContact CZ-CG2 4.17Å; F531-V569 HydrophobicContact CE1-CB 3.78Å; F531-V569 HydrophobicContact CE1-CG1 3.93Å; F531-V569 HydrophobicContact CE1-CG2 4.06Å; F531-V569 HydrophobicContact CZ-CB 3.87Å; F531-V569 HydrophobicContact CZ-CG1 4.29Å; F531-V569 HydrophobicContact CZ-CG2 3.6Å
532	M	79.3	Confident	83.8	Confident	6 Å²	6	12.9 Å²	12.9	3%	0.03	6%	0.061	C	C	.	.	H	α-helix	trans	-68.3	-35.8	172.9	-72.5	-49.5	-45.7	0	0	113.9	H528 N530 Y534 K535 T566 T578 L595	H528-M532 WeakPolarHBondContact O-CB 3.38Å; H528-M532 WeakPolarHBondContact O-CG 3.23Å; H528-M532 PolarHBondContact O-N 3.16Å; N530-M532 VanDerWaalsContact C-N 3.29Å; N530-M532 PolarHBondContact O-N 3.14Å; M532-Y534 PolarHBondContact O-N 2.9Å; M532-K535 PolarHBondContact O-N 3.36Å; M532-T566 HydrophobicContact CE-CG2 3.96Å; M532-T566 HydrophobicContact SD-CG2 3.68Å; M532-T578 HydrophobicContact CE-CG2 3.46Å; M532-T578 VanDerWaalsContact CE-CG2 3.46Å; M532-T578 HydrophobicContact SD-CG2 3.92Å; M532-L595 HydrophobicContact CB-CD1 3.83Å
533	R	83.4	Confident	84.3	Confident	24 Å²	24	16.6 Å²	16.6	9%	0.091	8%	0.078	C	C	.	.	H	α-helix	trans	-66.1	-31.1	-174.2	175.1	173.3	-100.4	108.1	3.9	113.7	V386 Q529 N530 K535 L536 L537 N593 L595	V386-R533 VanDerWaalsContact CG1-CD 3.46Å; V386-R533 HydrophobicContact CG1-CG 4.21Å; Q529-R533 WeakPolarHBondContact O-CB 3.34Å; Q529-R533 PolarHBondContact O-N 2.7Å; N530-R533 PolarHBondContact O-N 3.38Å; R533-K535 PolarHBondContact O-N 2.77Å; R533-L536 PolarHBondContact O-N 2.82Å; R533-L536 VanDerWaalsContact O-N 3.08Å; R533-L537 HydrophobicContact CG-CD1 3.84Å; R533-L537 HydrophobicContact CG-CG 3.87Å; R533-L537 WeakPolarHBondContact O-CG 3.37Å; R533-L537 PolarHBondContact O-N 2.94Å; R533-N593 PolarHBondContact NH2-OD1 2.98Å; R533-L595 HydrophobicContact CB-CD1 4.24Å; R533-L595 PolarHBondContact NH1-O 3.38Å; R533-L595 PolarHBondContact NH2-O 3.39Å
534	Y	88.3	Confident	84.6	Confident	3 Å²	3	17.6 Å²	17.6	1%	0.012	8%	0.082	C	C	.	.	H	α-helix	trans	-57	-39.2	178.2	-61.5	-66.3	0	0	0	112.5	Q387 H441 L444 L473 N530 M532 L537 M538	Q387-Y534 PolarHBondContact OE1-OH 2.82Å; H441-Y534 AromaticContact CE1-CE2 3.98Å; H441-Y534 AromaticContact CE1-CZ 3.92Å; H441-Y534 PolarHBondContact CE1-OH 2.67Å; H441-Y534 PolarHBondContact ND1-OH 2.88Å; L444-Y534 HydrophobicContact CD2-CE1 4.15Å; L473-Y534 HydrophobicContact CD1-CD2 3.61Å; L473-Y534 HydrophobicContact CD1-CE2 4.14Å; L473-Y534 HydrophobicContact CD1-CG 4.22Å; L473-Y534 HydrophobicContact CD2-CD2 4.08Å; L473-Y534 HydrophobicContact CD2-CE2 3.72Å; N530-Y534 WeakPolarHBondContact O-CD2 3.24Å; N530-Y534 WeakPolarHBondContact O-CE2 3.33Å; N530-Y534 PolarHBondContact O-N 2.95Å; M532-Y534 PolarHBondContact O-N 2.9Å; Y534-L537 PolarHBondContact O-N 3.23Å; Y534-M538 PolarHBondContact O-N 3.3Å
535	K	86.1	Confident	84.8	Confident	9 Å²	9	17.9 Å²	17.9	4%	0.039	8%	0.083	C	C	.	.	H	α-helix	trans	-61.3	-49.2	174.9	-168.2	-164.5	177.3	-167.8	0	110.7	M532 R533 L537 M538 L539 L562 E563	M532-K535 PolarHBondContact O-N 3.36Å; R533-K535 PolarHBondContact O-N 2.77Å; K535-L537 VanDerWaalsContact C-N 3.35Å; K535-L537 PolarHBondContact O-N 3.36Å; K535-M538 PolarHBondContact O-N 3.25Å; K535-L539 HydrophobicContact CD-CD1 4.27Å; K535-L539 HydrophobicContact CG-CD1 3.97Å; K535-L539 HydrophobicContact CG-CG 4.43Å; K535-L539 WeakPolarHBondContact O-CB 3.41Å; K535-L539 VanDerWaalsContact O-CG 3.24Å; K535-L539 WeakPolarHBondContact O-CG 3.12Å; K535-L539 PolarHBondContact O-N 3.33Å; K535-L562 HydrophobicContact CB-CB 4.14Å; K535-L562 HydrophobicContact CG-CB 4.33Å; K535-E563 WeakPolarHBondContact CE-OE2 3.41Å; K535-E563 IonicContact NZ-OE1 2.84Å; K535-E563 PolarHBondContact NZ-OE1 3.05Å; K535-E563 IonicContact NZ-OE2 2.68Å; K535-E563 PolarHBondContact NZ-OE2 2.87Å
536	L	82.9	Confident	85.2	Confident	6 Å²	6	21.5 Å²	21.5	3%	0.031	10%	0.102	C	C	.	.	H	α-helix	trans	-62.6	-38.2	-178.9	-59.3	-177.6	0	0	0	113	R533 L539 R540 T582 Y585 L595	R533-L536 PolarHBondContact O-N 2.82Å; R533-L536 VanDerWaalsContact O-N 3.08Å; L536-L539 HydrophobicContact CD2-CD1 4.37Å; L536-R540 WeakPolarHBondContact O-CB 3.31Å; L536-R540 PolarHBondContact O-N 2.99Å; L536-T582 HydrophobicContact CD2-CG2 3.87Å; L536-Y585 HydrophobicContact CB-CD1 3.88Å; L536-Y585 HydrophobicContact CB-CE1 3.73Å; L536-Y585 HydrophobicContact CD1-CD1 3.94Å; L536-Y585 HydrophobicContact CD1-CD2 4.25Å; L536-Y585 HydrophobicContact CD1-CE1 4.38Å; L536-Y585 HydrophobicContact CD1-CG 3.86Å; L536-Y585 HydrophobicContact CD2-CD1 3.96Å; L536-Y585 HydrophobicContact CD2-CG 4.41Å; L536-Y585 HydrophobicContact CG-CD1 4.14Å; L536-Y585 HydrophobicContact CG-CE1 4.47Å; L536-L595 HydrophobicContact CD1-CD1 3.59Å; L536-L595 HydrophobicContact CD1-CG 4.28Å
537	L	86.3	Confident	85.1	Confident	2 Å²	2	25.4 Å²	25.4	1%	0.01	12%	0.124	C	C	.	.	H	α-helix	trans	-68.4	-41.3	175.3	-66.7	174.4	0	0	0	112	E382 F383 V386 R533 Y534 K535 R540 Y541	E382-L537 HydrophobicContact CB-CD2 4.19Å; E382-L537 VanDerWaalsContact CD-CD2 3.43Å; E382-L537 HydrophobicContact CG-CD2 3.6Å; F383-L537 HydrophobicContact CD1-CB 3.96Å; F383-L537 HydrophobicContact CD1-CD1 3.73Å; F383-L537 HydrophobicContact CD2-CB 4.38Å; F383-L537 HydrophobicContact CE1-CB 3.44Å; F383-L537 VanDerWaalsContact CE1-CB 3.44Å; F383-L537 HydrophobicContact CE1-CD1 4.02Å; F383-L537 HydrophobicContact CE1-CG 4.41Å; F383-L537 HydrophobicContact CE2-CB 3.92Å; F383-L537 HydrophobicContact CG-CB 4.41Å; F383-L537 HydrophobicContact CG-CD1 4.17Å; F383-L537 HydrophobicContact CZ-CB 3.43Å; F383-L537 VanDerWaalsContact CZ-CB 3.43Å; V386-L537 HydrophobicContact CB-CD1 4.15Å; V386-L537 HydrophobicContact CG1-CD1 4.12Å; V386-L537 HydrophobicContact CG2-CD1 4.11Å; R533-L537 HydrophobicContact CG-CD1 3.84Å; R533-L537 HydrophobicContact CG-CG 3.87Å; R533-L537 WeakPolarHBondContact O-CG 3.37Å; R533-L537 PolarHBondContact O-N 2.94Å; Y534-L537 PolarHBondContact O-N 3.23Å; K535-L537 VanDerWaalsContact C-N 3.35Å; K535-L537 PolarHBondContact O-N 3.36Å; L537-R540 PolarHBondContact O-N 3.32Å; L537-Y541 VanDerWaalsContact O-CB 3.31Å; L537-Y541 WeakPolarHBondContact O-CB 3.44Å; L537-Y541 PolarHBondContact O-N 3.26Å
538	M	89	Confident	84.7	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-69.2	-38.5	177.8	-168.4	58.2	65.3	0	0	112	F383 S463 I466 Y534 K535 Y541 S542 A555 A558 I559 L562	F383-M538 HydrophobicContact CE1-CE 4.35Å; F383-M538 HydrophobicContact CZ-CB 4.24Å; F383-M538 HydrophobicContact CZ-CE 3.77Å; F383-M538 HydrophobicContact CZ-SD 4.46Å; S463-M538 PolarHBondContact OG-SD 3.18Å; I466-M538 HydrophobicContact CB-CE 3.45Å; I466-M538 VanDerWaalsContact CB-CE 3.45Å; I466-M538 HydrophobicContact CG1-CE 3.58Å; I466-M538 HydrophobicContact CG2-CE 3.76Å; Y534-M538 PolarHBondContact O-N 3.3Å; K535-M538 PolarHBondContact O-N 3.25Å; M538-Y541 WeakPolarHBondContact O-CB 3.09Å; M538-Y541 PolarHBondContact O-N 3.23Å; M538-Y541 HydrophobicContact SD-CD1 3.61Å; M538-Y541 HydrophobicContact SD-CE1 4.18Å; M538-Y541 HydrophobicContact SD-CG 4.31Å; M538-S542 WeakPolarHBondContact O-CB 3.4Å; M538-S542 PolarHBondContact O-N 3.18Å; M538-S542 PolarHBondContact O-OG 3.17Å; M538-A555 HydrophobicContact SD-CB 4.09Å; M538-A558 HydrophobicContact CE-CB 4.39Å; M538-A558 HydrophobicContact CG-CB 4.25Å; M538-I559 HydrophobicContact CB-CG1 3.95Å; M538-I559 HydrophobicContact CG-CD1 4.12Å; M538-I559 HydrophobicContact CG-CG1 3.6Å; M538-L562 HydrophobicContact CB-CD1 4.36Å
539	L	85.6	Confident	84.9	Confident	21 Å²	21	34.7 Å²	34.7	11%	0.11	18%	0.176	C	C	.	.	H	α-helix	trans	-56.9	-49.4	170.9	-77.6	169.8	0	0	0	111.3	K535 L536 Y541 S542 E543 I559 T582 Y586	K535-L539 HydrophobicContact CD-CD1 4.27Å; K535-L539 HydrophobicContact CG-CD1 3.97Å; K535-L539 HydrophobicContact CG-CG 4.43Å; K535-L539 WeakPolarHBondContact O-CB 3.41Å; K535-L539 VanDerWaalsContact O-CG 3.24Å; K535-L539 WeakPolarHBondContact O-CG 3.12Å; K535-L539 PolarHBondContact O-N 3.33Å; L536-L539 HydrophobicContact CD2-CD1 4.37Å; L539-Y541 PolarHBondContact O-N 3.34Å; L539-S542 PolarHBondContact O-N 3.03Å; L539-S542 PolarHBondContact O-OG 3.31Å; L539-E543 PolarHBondContact O-N 2.96Å; L539-I559 HydrophobicContact CD2-CD1 3.87Å; L539-I559 HydrophobicContact CD2-CG1 4.15Å; L539-I559 HydrophobicContact CD2-CG2 3.79Å; L539-I559 HydrophobicContact CG-CD1 4.34Å; L539-I559 HydrophobicContact CG-CG1 4.28Å; L539-I559 HydrophobicContact CG-CG2 4.34Å; L539-T582 HydrophobicContact CD1-CG2 3.84Å; L539-Y586 WeakPolarHBondContact CB-OH 3.18Å; L539-Y586 HydrophobicContact CD1-CE2 4.09Å; L539-Y586 WeakPolarHBondContact CD2-OH 3.17Å
540	R	83.8	Confident	85.4	Confident	46 Å²	46	39.3 Å²	39.3	17%	0.174	20%	0.202	C	C	.	.	H	α-helix	trans	-63	-40.3	175.8	-173.6	-175.4	-175	-175.4	4.7	112.8	E382 L536 L537 E543 Y544	E382-R540 IonicContact OE2-CZ 3.38Å; E382-R540 IonicContact OE2-NH1 3.72Å; E382-R540 PolarHBondContact OE2-NH1 3.08Å; L536-R540 WeakPolarHBondContact O-CB 3.31Å; L536-R540 PolarHBondContact O-N 2.99Å; L537-R540 PolarHBondContact O-N 3.32Å; R540-E543 VanDerWaalsContact O-CB 3.29Å; R540-E543 WeakPolarHBondContact O-CB 3.43Å; R540-E543 PolarHBondContact O-N 2.96Å; R540-Y544 HydrophobicContact CG-CE2 4.02Å; R540-Y544 PolarHBondContact NE-OH 3.46Å
541	Y	89.6	Confident	85.7	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61	-44.9	175.9	174.4	-96.4	0	0	0	111.5	L376 A379 W455 P460 N461 M462 S463 L537 M538 L539 E543 Y544 L545 E551	L376-Y541 HydrophobicContact CD1-CD2 3.59Å; L376-Y541 HydrophobicContact CD1-CE2 3.61Å; L376-Y541 HydrophobicContact CD1-CG 4.26Å; A379-Y541 HydrophobicContact CB-CD2 4.43Å; W455-Y541 AromaticContact CH2-CE2 3.67Å; W455-Y541 HydrophobicContact CH2-CE2 3.67Å; W455-Y541 WeakPolarHBondContact CH2-OH 3.29Å; W455-Y541 HydrophobicContact CZ2-CE2 4.15Å; P460-Y541 WeakPolarHBondContact CB-OH 3.05Å; N461-Y541 PolarHBondContact N-OH 3.15Å; M462-Y541 HydrophobicContact CB-CD2 4.49Å; M462-Y541 HydrophobicContact CB-CE1 4.32Å; M462-Y541 HydrophobicContact CB-CE2 3.73Å; M462-Y541 WeakPolarHBondContact CB-OH 3.18Å; M462-Y541 PolarHBondContact N-OH 3.01Å; S463-Y541 VanDerWaalsContact OG-CE1 3.22Å; S463-Y541 WeakPolarHBondContact OG-CE1 3.48Å; L537-Y541 VanDerWaalsContact O-CB 3.31Å; L537-Y541 WeakPolarHBondContact O-CB 3.44Å; L537-Y541 PolarHBondContact O-N 3.26Å; M538-Y541 WeakPolarHBondContact O-CB 3.09Å; M538-Y541 PolarHBondContact O-N 3.23Å; M538-Y541 HydrophobicContact SD-CD1 3.61Å; M538-Y541 HydrophobicContact SD-CE1 4.18Å; M538-Y541 HydrophobicContact SD-CG 4.31Å; L539-Y541 PolarHBondContact O-N 3.34Å; Y541-E543 PolarHBondContact O-N 2.7Å; Y541-Y544 PolarHBondContact O-N 3.39Å; Y541-Y544 VanDerWaalsContact O-N 3.15Å; Y541-L545 HydrophobicContact CD1-CD1 4.06Å; Y541-L545 HydrophobicContact CD1-CG 4.48Å; Y541-L545 HydrophobicContact CE1-CD1 3.82Å; Y541-L545 HydrophobicContact CE1-CD2 4.28Å; Y541-L545 HydrophobicContact CE1-CG 4.34Å; Y541-E551 HydrophobicContact CE1-CG 4.13Å; Y541-E551 PolarHBondContact OH-OE1 2.99Å
542	S	89.9	Confident	85.9	Confident	19 Å²	19	41.2 Å²	41.2	13%	0.133	21%	0.21	C	C	.	.	H	α-helix	trans	-65.1	-22	178.5	71.8	0	0	0	0	114.6	M538 L539 Y544 L545	M538-S542 WeakPolarHBondContact O-CB 3.4Å; M538-S542 PolarHBondContact O-N 3.18Å; M538-S542 PolarHBondContact O-OG 3.17Å; L539-S542 PolarHBondContact O-N 3.03Å; L539-S542 PolarHBondContact O-OG 3.31Å; S542-Y544 VanDerWaalsContact C-N 3.27Å; S542-Y544 PolarHBondContact O-N 3.22Å; S542-L545 PolarHBondContact O-N 3.13Å
543	E	86.8	Confident	86.5	Confident	115 Å²	115	47 Å²	47	54%	0.537	24%	0.237	S	C	.	.	H	α-helix	trans	-65.7	-27.9	174.8	-164.9	-170.2	154.4	0	0	112.3	L539 R540 Y541	L539-E543 PolarHBondContact O-N 2.96Å; R540-E543 VanDerWaalsContact O-CB 3.29Å; R540-E543 WeakPolarHBondContact O-CB 3.43Å; R540-E543 PolarHBondContact O-N 2.96Å; Y541-E543 PolarHBondContact O-N 2.7Å
544	Y	86.9	Confident	86.9	Confident	28 Å²	28	49.8 Å²	49.8	11%	0.11	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	1.6	-177.2	-47.8	-36.4	0	0	0	113.4	R372 K375 A379 R540 Y541 S542	R372-Y544 WeakPolarHBondContact CD-O 3.47Å; R372-Y544 WeakPolarHBondContact CG-O 3.37Å; R372-Y544 PolarHBondContact NH1-O 3.41Å; K375-Y544 HydrophobicContact CB-CD1 4.21Å; K375-Y544 HydrophobicContact CB-CD2 3.72Å; K375-Y544 HydrophobicContact CB-CE1 4.37Å; K375-Y544 HydrophobicContact CB-CE2 3.86Å; K375-Y544 HydrophobicContact CB-CG 3.92Å; K375-Y544 HydrophobicContact CD-CE1 4.4Å; K375-Y544 WeakPolarHBondContact O-CD2 3.35Å; A379-Y544 HydrophobicContact CB-CD2 4.16Å; A379-Y544 HydrophobicContact CB-CE2 4.23Å; R540-Y544 HydrophobicContact CG-CE2 4.02Å; R540-Y544 PolarHBondContact NE-OH 3.46Å; Y541-Y544 PolarHBondContact O-N 3.39Å; Y541-Y544 VanDerWaalsContact O-N 3.15Å; S542-Y544 VanDerWaalsContact C-N 3.27Å; S542-Y544 PolarHBondContact O-N 3.22Å
545	L	88.1	Confident	87.1	Confident	6 Å²	6	49.6 Å²	49.6	3%	0.031	25%	0.249	C	C	.	.	S	Bend	trans	-83	140.7	172.1	-64.2	178.2	0	0	0	111.1	L376 P460 Y541 S542 E551 K552 A555	L376-L545 HydrophobicContact CD1-CD2 3.86Å; L376-L545 HydrophobicContact CD1-CG 4.41Å; L376-L545 HydrophobicContact CD2-CD2 3.9Å; P460-L545 HydrophobicContact CB-CD2 4Å; P460-L545 HydrophobicContact CG-CD2 3.7Å; Y541-L545 HydrophobicContact CD1-CD1 4.06Å; Y541-L545 HydrophobicContact CD1-CG 4.48Å; Y541-L545 HydrophobicContact CE1-CD1 3.82Å; Y541-L545 HydrophobicContact CE1-CD2 4.28Å; Y541-L545 HydrophobicContact CE1-CG 4.34Å; S542-L545 PolarHBondContact O-N 3.13Å; L545-E551 HydrophobicContact CD1-CB 4.43Å; L545-E551 HydrophobicContact CD1-CG 3.98Å; L545-E551 HydrophobicContact CD2-CG 4.16Å; L545-K552 HydrophobicContact CB-CB 4.14Å; L545-K552 HydrophobicContact CB-CD 3.96Å; L545-K552 HydrophobicContact CB-CG 4.16Å; L545-K552 HydrophobicContact CD1-CB 4.03Å; L545-K552 HydrophobicContact CD1-CG 4.35Å; L545-K552 PolarHBondContact O-NZ 3.38Å; L545-A555 HydrophobicContact CD1-CB 4.02Å
546	I	86.5	Confident	87.4	Confident	100 Å²	100	54.9 Å²	54.9	51%	0.513	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-59.9	141.7	172.4	-45.4	177.5	0	0	0	108.8	C549 K552	I546-C549 PolarHBondContact O-SG 3.44Å; I546-K552 WeakPolarHBondContact O-CD 3.27Å
547	D	78.9	Confident	87.8	Confident	112 Å²	112	59.6 Å²	59.6	60%	0.599	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	152.9	167.6	-59.7	-63.2	0	0	0	111.7	C549 K552	D547-C549 PolarHBondContact O-N 3.47Å; D547-K552 IonicContact OD1-NZ 3.2Å; D547-K552 PolarHBondContact OD1-NZ 3.4Å; D547-K552 IonicContact OD2-NZ 2.71Å
548	D	77.4	Confident	88.1	Confident	172 Å²	172	59.5 Å²	59.5	92%	0.92	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	17.4	178.1	-50.8	-29.5	0	0	0	117.3
549	C	87.6	Confident	88.2	Confident	41 Å²	41	60.5 Å²	60.5	28%	0.277	30%	0.3	S	S	.	.			trans	-94.2	145.1	172.9	83	0	0	0	0	113	I546 D547 E551 K552 E553	I546-C549 PolarHBondContact O-SG 3.44Å; D547-C549 PolarHBondContact O-N 3.47Å; C549-E551 PolarHBondContact O-N 2.92Å; C549-K552 WeakPolarHBondContact O-CB 3.35Å; C549-K552 PolarHBondContact O-N 3.13Å; C549-E553 PolarHBondContact O-N 3.18Å
550	D	88.2	Confident	88.5	Confident	108 Å²	108	64.3 Å²	64.3	58%	0.578	32%	0.318	S	S	*	.	H	α-helix	trans	-55.2	-33.3	-175.7	-55.3	24	0	0	0	114.5	K552 E553 K554	D550-K552 PolarHBondContact O-N 3.08Å; D550-E553 PolarHBondContact O-N 3.43Å; D550-K554 HydrophobicContact CB-CD 4.36Å; D550-K554 WeakPolarHBondContact O-CB 3.37Å; D550-K554 VanDerWaalsContact O-CD 3.24Å; D550-K554 WeakPolarHBondContact O-CD 3.29Å; D550-K554 WeakPolarHBondContact O-CE 3.45Å; D550-K554 WeakPolarHBondContact O-CG 3.47Å; D550-K554 PolarHBondContact O-N 3.15Å; D550-K554 IonicContact OD2-NZ 3.86Å; D550-K554 PolarHBondContact OD2-NZ 3.12Å
551	E	90.6	Very high	88.8	Confident	17 Å²	17	65.8 Å²	65.8	8%	0.079	33%	0.325	C	S	.	.	H	α-helix	trans	-70.2	-24.6	-178.7	-178.8	68.2	171.3	0	0	110.8	P460 N461 M462 S463 Y541 L545 C549 A555	P460-E551 HydrophobicContact CB-CG 4.12Å; P460-E551 HydrophobicContact CG-CB 4.28Å; P460-E551 HydrophobicContact CG-CG 4.07Å; P460-E551 WeakPolarHBondContact O-CG 3.43Å; N461-E551 WeakPolarHBondContact CA-OE1 3.27Å; N461-E551 PolarHBondContact N-OE1 2.83Å; M462-E551 PolarHBondContact N-OE1 3.16Å; S463-E551 WeakPolarHBondContact CB-OE1 3.43Å; S463-E551 PolarHBondContact N-OE1 2.93Å; S463-E551 PolarHBondContact OG-OE1 3.11Å; Y541-E551 HydrophobicContact CE1-CG 4.13Å; Y541-E551 PolarHBondContact OH-OE1 2.99Å; L545-E551 HydrophobicContact CD1-CB 4.43Å; L545-E551 HydrophobicContact CD1-CG 3.98Å; L545-E551 HydrophobicContact CD2-CG 4.16Å; C549-E551 PolarHBondContact O-N 2.92Å; E551-A555 VanDerWaalsContact O-CB 3.22Å; E551-A555 WeakPolarHBondContact O-CB 3.11Å; E551-A555 PolarHBondContact O-N 2.95Å
552	K	89.7	Confident	88.8	Confident	31 Å²	31	65.8 Å²	65.8	14%	0.135	33%	0.325	C	S	.	.	H	α-helix	trans	-75.5	-38	175.5	-161.9	163.1	-174.8	169.8	0	111.6	L545 I546 D547 C549 D550 A555 Q556	L545-K552 HydrophobicContact CB-CB 4.14Å; L545-K552 HydrophobicContact CB-CD 3.96Å; L545-K552 HydrophobicContact CB-CG 4.16Å; L545-K552 HydrophobicContact CD1-CB 4.03Å; L545-K552 HydrophobicContact CD1-CG 4.35Å; L545-K552 PolarHBondContact O-NZ 3.38Å; I546-K552 WeakPolarHBondContact O-CD 3.27Å; D547-K552 IonicContact OD1-NZ 3.2Å; D547-K552 PolarHBondContact OD1-NZ 3.4Å; D547-K552 IonicContact OD2-NZ 2.71Å; C549-K552 WeakPolarHBondContact O-CB 3.35Å; C549-K552 PolarHBondContact O-N 3.13Å; D550-K552 PolarHBondContact O-N 3.08Å; K552-A555 WeakPolarHBondContact O-CB 3.41Å; K552-A555 PolarHBondContact O-N 2.87Å; K552-Q556 VanDerWaalsContact O-CG 3.31Å; K552-Q556 WeakPolarHBondContact O-CG 3.48Å; K552-Q556 PolarHBondContact O-N 3.37Å
553	E	91.2	Very high	88.6	Confident	126 Å²	126	66.5 Å²	66.5	59%	0.589	33%	0.326	S	S	*	.	H	α-helix	trans	-60.9	-49.5	167.7	-176.4	-175	-144.6	0	0	110.8	C549 D550 A555 Q556 E557	C549-E553 PolarHBondContact O-N 3.18Å; D550-E553 PolarHBondContact O-N 3.43Å; E553-A555 VanDerWaalsContact C-N 3.26Å; E553-A555 PolarHBondContact O-N 3.05Å; E553-Q556 WeakPolarHBondContact O-CB 3.46Å; E553-Q556 PolarHBondContact O-N 3.04Å; E553-Q556 VanDerWaalsContact O-N 3.09Å; E553-E557 PolarHBondContact O-N 3.31Å
554	K	92	Very high	88.7	Confident	83 Å²	83	65.3 Å²	65.3	36%	0.361	32%	0.324	S	S	.	.	H	α-helix	trans	-61.8	-32.5	176.4	-66.2	157.1	-160.7	162.2	0	112.1	D550 A558	D550-K554 HydrophobicContact CB-CD 4.36Å; D550-K554 WeakPolarHBondContact O-CB 3.37Å; D550-K554 VanDerWaalsContact O-CD 3.24Å; D550-K554 WeakPolarHBondContact O-CD 3.29Å; D550-K554 WeakPolarHBondContact O-CE 3.45Å; D550-K554 WeakPolarHBondContact O-CG 3.47Å; D550-K554 PolarHBondContact O-N 3.15Å; D550-K554 IonicContact OD2-NZ 3.86Å; D550-K554 PolarHBondContact OD2-NZ 3.12Å; K554-A558 WeakPolarHBondContact O-CB 3.35Å; K554-A558 PolarHBondContact O-N 3.02Å
555	A	92.3	Very high	88.5	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-67.6	-44.9	172.5	0	0	0	0	0	111.5	S463 M538 L545 E551 K552 E553 A558 I559	S463-A555 VanDerWaalsContact OG-CA 3.27Å; S463-A555 WeakPolarHBondContact OG-CA 3.46Å; S463-A555 VanDerWaalsContact OG-CB 3.28Å; S463-A555 WeakPolarHBondContact OG-CB 3.16Å; M538-A555 HydrophobicContact SD-CB 4.09Å; L545-A555 HydrophobicContact CD1-CB 4.02Å; E551-A555 VanDerWaalsContact O-CB 3.22Å; E551-A555 WeakPolarHBondContact O-CB 3.11Å; E551-A555 PolarHBondContact O-N 2.95Å; K552-A555 WeakPolarHBondContact O-CB 3.41Å; K552-A555 PolarHBondContact O-N 2.87Å; E553-A555 VanDerWaalsContact C-N 3.26Å; E553-A555 PolarHBondContact O-N 3.05Å; A555-A558 PolarHBondContact O-N 2.66Å; A555-I559 WeakPolarHBondContact O-CB 3.41Å; A555-I559 WeakPolarHBondContact O-CD1 3.32Å; A555-I559 WeakPolarHBondContact O-CG1 3.03Å; A555-I559 PolarHBondContact O-N 3.39Å
556	Q	92.3	Very high	88.3	Confident	119 Å²	119	64.2 Å²	64.2	56%	0.556	32%	0.32	S	S	*	.	H	α-helix	trans	-62.6	-42.9	176	-72.6	170	-4.9	0	0	111.8	K552 E553 A558 I559 Q560	K552-Q556 VanDerWaalsContact O-CG 3.31Å; K552-Q556 WeakPolarHBondContact O-CG 3.48Å; K552-Q556 PolarHBondContact O-N 3.37Å; E553-Q556 WeakPolarHBondContact O-CB 3.46Å; E553-Q556 PolarHBondContact O-N 3.04Å; E553-Q556 VanDerWaalsContact O-N 3.09Å; Q556-A558 VanDerWaalsContact C-N 3.35Å; Q556-A558 PolarHBondContact O-N 3.16Å; Q556-I559 PolarHBondContact O-N 3.04Å; Q556-Q560 PolarHBondContact O-N 3.02Å
557	E	92.3	Very high	88	Confident	105 Å²	105	63.2 Å²	63.2	49%	0.491	31%	0.313	S	S	.	.	H	α-helix	trans	-55.8	-48.2	170	-81.2	-157.4	-178.3	0	0	112.1	E553 I559 Q560 K561	E553-E557 PolarHBondContact O-N 3.31Å; E557-I559 VanDerWaalsContact C-N 3.33Å; E557-Q560 PolarHBondContact O-N 2.78Å; E557-K561 WeakPolarHBondContact O-CG 3.1Å; E557-K561 PolarHBondContact O-N 3.17Å; E557-K561 IonicContact OE2-NZ 2.78Å; E557-K561 PolarHBondContact OE2-NZ 2.86Å
558	A	92.7	Very high	88	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.008	31%	0.306	C	S	.	.	H	α-helix	trans	-65	-39.1	-179	0	0	0	0	0	111.3	M538 K554 A555 Q556 K561 L562	M538-A558 HydrophobicContact CE-CB 4.39Å; M538-A558 HydrophobicContact CG-CB 4.25Å; K554-A558 WeakPolarHBondContact O-CB 3.35Å; K554-A558 PolarHBondContact O-N 3.02Å; A555-A558 PolarHBondContact O-N 2.66Å; Q556-A558 VanDerWaalsContact C-N 3.35Å; Q556-A558 PolarHBondContact O-N 3.16Å; A558-K561 PolarHBondContact O-N 3.19Å; A558-L562 WeakPolarHBondContact O-CB 3.5Å; A558-L562 WeakPolarHBondContact O-CD1 3.21Å; A558-L562 WeakPolarHBondContact O-CG 3.46Å; A558-L562 PolarHBondContact O-N 2.83Å
559	I	90.8	Very high	87.9	Confident	20 Å²	20	52.4 Å²	52.4	10%	0.103	26%	0.263	C	S	.	.	H	α-helix	trans	-60.2	-47.4	172.5	-71.4	157.3	0	0	0	110.1	M538 L539 A555 Q556 E557 K561 L562 E563	M538-I559 HydrophobicContact CB-CG1 3.95Å; M538-I559 HydrophobicContact CG-CD1 4.12Å; M538-I559 HydrophobicContact CG-CG1 3.6Å; L539-I559 HydrophobicContact CD2-CD1 3.87Å; L539-I559 HydrophobicContact CD2-CG1 4.15Å; L539-I559 HydrophobicContact CD2-CG2 3.79Å; L539-I559 HydrophobicContact CG-CD1 4.34Å; L539-I559 HydrophobicContact CG-CG1 4.28Å; L539-I559 HydrophobicContact CG-CG2 4.34Å; A555-I559 WeakPolarHBondContact O-CB 3.41Å; A555-I559 WeakPolarHBondContact O-CD1 3.32Å; A555-I559 WeakPolarHBondContact O-CG1 3.03Å; A555-I559 PolarHBondContact O-N 3.39Å; Q556-I559 PolarHBondContact O-N 3.04Å; E557-I559 VanDerWaalsContact C-N 3.33Å; I559-K561 PolarHBondContact O-N 2.91Å; I559-L562 CarbonylContact O-C 3.57Å; I559-L562 PolarHBondContact O-N 2.84Å; I559-E563 VanDerWaalsContact O-CB 3.27Å; I559-E563 WeakPolarHBondContact O-CB 3.24Å; I559-E563 PolarHBondContact O-N 2.75Å
560	Q	91.4	Very high	87.3	Confident	102 Å²	102	50.7 Å²	50.7	48%	0.477	25%	0.251	S	S	.	.	H	α-helix	trans	-66.9	-36.6	-179.6	-167.7	62.9	57.8	0	0	112.5	Q556 E557 E563 N564	Q556-Q560 PolarHBondContact O-N 3.02Å; E557-Q560 PolarHBondContact O-N 2.78Å; Q560-E563 WeakPolarHBondContact O-CB 3.48Å; Q560-E563 PolarHBondContact O-N 2.89Å; Q560-N564 PolarHBondContact NE2-OD1 2.82Å; Q560-N564 WeakPolarHBondContact O-CB 3.47Å; Q560-N564 PolarHBondContact O-N 2.89Å; Q560-N564 PolarHBondContact O-OD1 2.76Å
561	K	90	Very high	86.5	Confident	76 Å²	76	52.6 Å²	52.6	33%	0.33	26%	0.257	S	S	.	.	H	α-helix	trans	-63.4	-44.9	172.7	-72.5	161.8	-177.3	161.8	0	111	A470 E557 A558 I559 V565	A470-K561 HydrophobicContact CB-CB 3.95Å; E557-K561 WeakPolarHBondContact O-CG 3.1Å; E557-K561 PolarHBondContact O-N 3.17Å; E557-K561 IonicContact OE2-NZ 2.78Å; E557-K561 PolarHBondContact OE2-NZ 2.86Å; A558-K561 PolarHBondContact O-N 3.19Å; I559-K561 PolarHBondContact O-N 2.91Å; K561-V565 WeakPolarHBondContact O-CB 3.44Å; K561-V565 VanDerWaalsContact O-CG2 3.29Å; K561-V565 WeakPolarHBondContact O-CG2 3.39Å; K561-V565 PolarHBondContact O-N 3Å; K561-V565 VanDerWaalsContact O-N 3.1Å
562	L	89.6	Confident	85.5	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-68.2	-36.1	176.2	-67.9	168.2	0	0	0	112.6	I466 A470 L473 K535 M538 A558 I559 T566	I466-L562 HydrophobicContact CG2-CD1 3.93Å; A470-L562 HydrophobicContact CB-CD2 3.89Å; A470-L562 HydrophobicContact CB-CG 4.17Å; L473-L562 HydrophobicContact CD1-CD2 3.51Å; K535-L562 HydrophobicContact CB-CB 4.14Å; K535-L562 HydrophobicContact CG-CB 4.33Å; M538-L562 HydrophobicContact CB-CD1 4.36Å; A558-L562 WeakPolarHBondContact O-CB 3.5Å; A558-L562 WeakPolarHBondContact O-CD1 3.21Å; A558-L562 WeakPolarHBondContact O-CG 3.46Å; A558-L562 PolarHBondContact O-N 2.83Å; I559-L562 CarbonylContact O-C 3.57Å; I559-L562 PolarHBondContact O-N 2.84Å; L562-T566 VanDerWaalsContact O-CB 3.29Å; L562-T566 WeakPolarHBondContact O-CB 3.47Å; L562-T566 VanDerWaalsContact O-CG2 3.25Å; L562-T566 WeakPolarHBondContact O-CG2 3.1Å; L562-T566 PolarHBondContact O-N 3.42Å; L562-T566 PolarHBondContact O-OG1 2.64Å
563	E	86.7	Confident	84.4	Confident	33 Å²	33	58.2 Å²	58.2	15%	0.154	28%	0.282	C	S	.	.	H	α-helix	trans	-56.9	-58.9	171.2	-177.9	81.1	-91.9	0	0	110	K535 I559 Q560 V565 T566 Q567	K535-E563 WeakPolarHBondContact CE-OE2 3.41Å; K535-E563 IonicContact NZ-OE1 2.84Å; K535-E563 PolarHBondContact NZ-OE1 3.05Å; K535-E563 IonicContact NZ-OE2 2.68Å; K535-E563 PolarHBondContact NZ-OE2 2.87Å; I559-E563 VanDerWaalsContact O-CB 3.27Å; I559-E563 WeakPolarHBondContact O-CB 3.24Å; I559-E563 PolarHBondContact O-N 2.75Å; Q560-E563 WeakPolarHBondContact O-CB 3.48Å; Q560-E563 PolarHBondContact O-N 2.89Å; E563-V565 VanDerWaalsContact C-N 3.3Å; E563-V565 PolarHBondContact O-N 3.28Å; E563-T566 PolarHBondContact O-N 2.79Å; E563-T566 VanDerWaalsContact O-N 3.16Å; E563-T566 PolarHBondContact O-OG1 3.32Å; E563-Q567 HydrophobicContact CG-CG 4.41Å; E563-Q567 VanDerWaalsContact CG-NE2 3.32Å; E563-Q567 WeakPolarHBondContact O-CB 3.43Å; E563-Q567 WeakPolarHBondContact O-CG 3.48Å; E563-Q567 PolarHBondContact O-N 2.64Å; E563-Q567 PolarHBondContact OE1-NE2 2.84Å
564	N	87	Confident	83	Confident	90 Å²	90	55.6 Å²	55.6	48%	0.481	29%	0.289	S	S	.	.	H	α-helix	trans	-57	-43.4	-177.9	-64.6	-3.3	0	0	0	111.8	Q560 A568	Q560-N564 PolarHBondContact NE2-OD1 2.82Å; Q560-N564 WeakPolarHBondContact O-CB 3.47Å; Q560-N564 PolarHBondContact O-N 2.89Å; Q560-N564 PolarHBondContact O-OD1 2.76Å; N564-A568 WeakPolarHBondContact O-CB 3.47Å; N564-A568 PolarHBondContact O-N 2.78Å
565	V	84.3	Confident	81.5	Confident	11 Å²	11	54.7 Å²	54.7	7%	0.067	29%	0.287	C	S	.	.	H	α-helix	trans	-69.8	-40.1	179.2	172.4	0	0	0	0	112.2	K474 F531 K561 E563 V569	K474-V565 HydrophobicContact CG-CG1 4.12Å; K474-V565 HydrophobicContact CG-CG2 4.44Å; F531-V565 HydrophobicContact CE2-CG1 3.69Å; F531-V565 HydrophobicContact CZ-CG1 3.73Å; K561-V565 WeakPolarHBondContact O-CB 3.44Å; K561-V565 VanDerWaalsContact O-CG2 3.29Å; K561-V565 WeakPolarHBondContact O-CG2 3.39Å; K561-V565 PolarHBondContact O-N 3Å; K561-V565 VanDerWaalsContact O-N 3.1Å; E563-V565 VanDerWaalsContact C-N 3.3Å; E563-V565 PolarHBondContact O-N 3.28Å; V565-V569 PolarHBondContact O-N 3.41Å
566	T	82.3	Confident	79.9	Confident	1 Å²	1	58 Å²	58	1%	0.006	31%	0.309	C	S	.	.	H	α-helix	trans	-74.9	-35.6	179	53.8	0	0	0	0	113	F531 M532 L562 E563 N570	F531-T566 HydrophobicContact CD1-CG2 4.02Å; F531-T566 HydrophobicContact CE1-CG2 3.72Å; F531-T566 HydrophobicContact CZ-CG2 4.17Å; M532-T566 HydrophobicContact CE-CG2 3.96Å; M532-T566 HydrophobicContact SD-CG2 3.68Å; L562-T566 VanDerWaalsContact O-CB 3.29Å; L562-T566 WeakPolarHBondContact O-CB 3.47Å; L562-T566 VanDerWaalsContact O-CG2 3.25Å; L562-T566 WeakPolarHBondContact O-CG2 3.1Å; L562-T566 PolarHBondContact O-N 3.42Å; L562-T566 PolarHBondContact O-OG1 2.64Å; E563-T566 PolarHBondContact O-N 2.79Å; E563-T566 VanDerWaalsContact O-N 3.16Å; E563-T566 PolarHBondContact O-OG1 3.32Å; T566-N570 WeakPolarHBondContact O-CB 3.36Å; T566-N570 PolarHBondContact O-N 3.04Å
567	Q	81.5	Confident	78.2	Confident	78 Å²	78	56 Å²	56	36%	0.364	31%	0.305	S	S	.	.	H	α-helix	trans	-64.4	-48.8	174.9	-72.5	-174.3	10.6	0	0	111.9	E563 V569 N570 Q571	E563-Q567 HydrophobicContact CG-CG 4.41Å; E563-Q567 VanDerWaalsContact CG-NE2 3.32Å; E563-Q567 WeakPolarHBondContact O-CB 3.43Å; E563-Q567 WeakPolarHBondContact O-CG 3.48Å; E563-Q567 PolarHBondContact O-N 2.64Å; E563-Q567 PolarHBondContact OE1-NE2 2.84Å; Q567-V569 PolarHBondContact O-N 3.05Å; Q567-N570 PolarHBondContact O-N 3.13Å; Q567-Q571 WeakPolarHBondContact O-CB 3.4Å; Q567-Q571 VanDerWaalsContact O-CG 3.3Å; Q567-Q571 WeakPolarHBondContact O-CG 3.46Å; Q567-Q571 PolarHBondContact O-N 2.9Å
568	A	78.6	Confident	76.6	Confident	54 Å²	54	51.2 Å²	51.2	45%	0.446	28%	0.283	S	S	.	.	H	α-helix	trans	-57.7	-36.4	179.9	0	0	0	0	0	112.7	N564 K572	N564-A568 WeakPolarHBondContact O-CB 3.47Å; N564-A568 PolarHBondContact O-N 2.78Å; A568-K572 PolarHBondContact O-N 3.34Å
569	V	74.8	Confident	75.3	Confident	3 Å²	3	55.9 Å²	55.9	2%	0.018	31%	0.305	C	S	.	.	H	α-helix	trans	-76	-46.1	174.9	173	0	0	0	0	111.9	Q477 L480 F531 V565 Q567 Q571 K572 M573	Q477-V569 HydrophobicContact CB-CG2 4.43Å; Q477-V569 HydrophobicContact CG-CG2 4.28Å; L480-V569 HydrophobicContact CB-CG1 4.21Å; L480-V569 HydrophobicContact CD1-CG1 3.78Å; F531-V569 HydrophobicContact CE1-CB 3.78Å; F531-V569 HydrophobicContact CE1-CG1 3.93Å; F531-V569 HydrophobicContact CE1-CG2 4.06Å; F531-V569 HydrophobicContact CZ-CB 3.87Å; F531-V569 HydrophobicContact CZ-CG1 4.29Å; F531-V569 HydrophobicContact CZ-CG2 3.6Å; V565-V569 PolarHBondContact O-N 3.41Å; Q567-V569 PolarHBondContact O-N 3.05Å; V569-Q571 VanDerWaalsContact C-N 3.33Å; V569-Q571 PolarHBondContact O-N 2.69Å; V569-K572 PolarHBondContact O-N 3.05Å; V569-M573 HydrophobicContact CG1-CG 4.1Å; V569-M573 WeakPolarHBondContact O-CB 3.27Å; V569-M573 WeakPolarHBondContact O-CG 3.41Å; V569-M573 PolarHBondContact O-N 3.48Å
570	N	74.7	Confident	74.5	Confident	6 Å²	6	58.5 Å²	58.5	3%	0.032	32%	0.317	C	S	.	.	H	α-helix	trans	-63.2	-36.9	180	-93.6	36.5	0	0	0	112.8	H528 T566 Q567 M573 G574 L575 P576 T578	H528-N570 PolarHBondContact NE2-OD1 3.12Å; T566-N570 WeakPolarHBondContact O-CB 3.36Å; T566-N570 PolarHBondContact O-N 3.04Å; Q567-N570 PolarHBondContact O-N 3.13Å; N570-M573 PolarHBondContact O-N 3.28Å; N570-G574 PolarHBondContact O-N 3.07Å; N570-G574 VanDerWaalsContact O-N 3.16Å; N570-L575 PolarHBondContact O-N 3.12Å; N570-P576 PolarHBondContact ND2-O 3.18Å; N570-T578 HydrophobicContact CB-CG2 4.06Å
571	Q	72	Confident	73.6	Confident	148 Å²	148	55.2 Å²	55.2	69%	0.692	30%	0.302	S	S	*	.	H	α-helix	trans	-58.7	-51.6	173.3	-74.6	171.5	-2.7	0	0	111.2	Q567 V569 M573 G574	Q567-Q571 WeakPolarHBondContact O-CB 3.4Å; Q567-Q571 VanDerWaalsContact O-CG 3.3Å; Q567-Q571 WeakPolarHBondContact O-CG 3.46Å; Q567-Q571 PolarHBondContact O-N 2.9Å; V569-Q571 VanDerWaalsContact C-N 3.33Å; V569-Q571 PolarHBondContact O-N 2.69Å; Q571-M573 PolarHBondContact O-N 3.31Å; Q571-G574 PolarHBondContact O-N 3.24Å
572	K	68.6	Low	72.6	Confident	128 Å²	128	52.2 Å²	52.2	56%	0.557	29%	0.29	S	S	*	.	H	α-helix	trans	-63.9	-28	178.3	-170.7	175.6	176	-169.4	0	113.1	D481 A568 V569	D481-K572 VanDerWaalsContact CG-NZ 3.26Å; D481-K572 WeakPolarHBondContact OD1-CD 3.49Å; D481-K572 WeakPolarHBondContact OD1-CE 3.48Å; D481-K572 IonicContact OD1-NZ 3.87Å; D481-K572 PolarHBondContact OD1-NZ 3.13Å; D481-K572 IonicContact OD2-NZ 2.72Å; D481-K572 PolarHBondContact OD2-NZ 2.87Å; A568-K572 PolarHBondContact O-N 3.34Å; V569-K572 PolarHBondContact O-N 3.05Å
573	M	67.6	Low	72.1	Confident	37 Å²	37	57.4 Å²	57.4	18%	0.182	31%	0.313	C	S	.	.	H	α-helix	trans	-84.6	-9.3	179.3	-72.5	-62.9	-62.8	0	0	114.9	L480 K483 V569 N570 Q571 L575	L480-M573 WeakPolarHBondContact O-CE 3.35Å; K483-M573 HydrophobicContact CB-CE 4.48Å; V569-M573 HydrophobicContact CG1-CG 4.1Å; V569-M573 WeakPolarHBondContact O-CB 3.27Å; V569-M573 WeakPolarHBondContact O-CG 3.41Å; V569-M573 PolarHBondContact O-N 3.48Å; N570-M573 PolarHBondContact O-N 3.28Å; Q571-M573 PolarHBondContact O-N 3.31Å; M573-L575 HydrophobicContact CB-CB 4.41Å; M573-L575 HydrophobicContact CB-CD1 3.8Å; M573-L575 HydrophobicContact CB-CG 3.87Å; M573-L575 HydrophobicContact CE-CD1 4.26Å; M573-L575 HydrophobicContact CG-CD1 4.45Å; M573-L575 PolarHBondContact O-N 3.33Å
574	G	61.4	Low	71.9	Confident	71 Å²	71	55.9 Å²	55.9	73%	0.732	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	24.9	-175.7	0	0	0	0	0	114.1	N570 Q571	N570-G574 PolarHBondContact O-N 3.07Å; N570-G574 VanDerWaalsContact O-N 3.16Å; Q571-G574 PolarHBondContact O-N 3.24Å
575	L	61.1	Low	71.3	Confident	64 Å²	64	52 Å²	52	34%	0.335	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-91.9	158	-177.2	-70.2	173.6	0	0	0	111.3	H528 N570 M573	H528-L575 VanDerWaalsContact CE1-CD1 3.41Å; H528-L575 WeakPolarHBondContact CE1-CD1 3.22Å; N570-L575 PolarHBondContact O-N 3.12Å; M573-L575 HydrophobicContact CB-CB 4.41Å; M573-L575 HydrophobicContact CB-CD1 3.8Å; M573-L575 HydrophobicContact CB-CG 3.87Å; M573-L575 HydrophobicContact CE-CD1 4.26Å; M573-L575 HydrophobicContact CG-CD1 4.45Å; M573-L575 PolarHBondContact O-N 3.33Å
576	P	58	Low	70.7	Confident	70 Å²	70	55.4 Å²	55.4	46%	0.455	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-49	146.3	172.6	-27.4	35.1	0	0	0	111.9	N570	N570-P576 PolarHBondContact ND2-O 3.18Å
577	T	56.6	Low	70.7	Confident	76 Å²	76	57.9 Å²	57.9	47%	0.466	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-59.5	145.3	-173.7	57.3	0	0	0	0	110.7	E579 E580	T577-E579 PolarHBondContact O-N 3.19Å; T577-E580 PolarHBondContact O-N 3.44Å
578	T	59.8	Low	70.6	Confident	5 Å²	5	54.2 Å²	54.2	3%	0.031	29%	0.288	C	S	.	.	H	α-helix	trans	-50	-34	175.2	59.1	0	0	0	0	111	M532 N570 T582	M532-T578 HydrophobicContact CE-CG2 3.46Å; M532-T578 VanDerWaalsContact CE-CG2 3.46Å; M532-T578 HydrophobicContact SD-CG2 3.92Å; N570-T578 HydrophobicContact CB-CG2 4.06Å; T578-T582 VanDerWaalsContact O-CB 3.3Å; T578-T582 WeakPolarHBondContact O-CB 3.47Å; T578-T582 PolarHBondContact O-N 3.25Å; T578-T582 PolarHBondContact O-OG1 3.09Å
579	E	65.1	Low	70.4	Confident	100 Å²	100	55.3 Å²	55.3	47%	0.467	28%	0.284	S	S	.	.	H	α-helix	trans	-58.1	-44.1	177	-156.4	-162.9	178.5	0	0	114.7	T577 T582 K583	T577-E579 PolarHBondContact O-N 3.19Å; E579-T582 PolarHBondContact O-N 3.19Å; E579-K583 HydrophobicContact CG-CD 4.23Å; E579-K583 WeakPolarHBondContact O-CB 3.42Å; E579-K583 VanDerWaalsContact O-CG 3.28Å; E579-K583 WeakPolarHBondContact O-CG 3.39Å; E579-K583 PolarHBondContact O-N 2.89Å; E579-K583 WeakPolarHBondContact OE1-CE 3.22Å; E579-K583 IonicContact OE1-NZ 3.38Å; E579-K583 PolarHBondContact OE1-NZ 2.66Å; E579-K583 IonicContact OE2-NZ 3.69Å; E579-K583 PolarHBondContact OE2-NZ 2.82Å
580	E	73.6	Confident	69.9	Low	75 Å²	75	55.7 Å²	55.7	35%	0.35	29%	0.287	S	S	.	.	H	α-helix	trans	-65.6	-45.8	-178.4	-71.3	-160.7	124.5	0	0	112.2	T577 T582 K583 L584	T577-E580 PolarHBondContact O-N 3.44Å; E580-T582 VanDerWaalsContact C-N 3.3Å; E580-T582 PolarHBondContact O-N 3.49Å; E580-K583 PolarHBondContact O-N 2.79Å; E580-L584 PolarHBondContact O-N 3.2Å
581	L	72.1	Confident	69.3	Low	32 Å²	32	58.3 Å²	58.3	17%	0.168	30%	0.299	C	S	.	.	H	α-helix	trans	-69	-31.8	177.2	-62.7	176.2	0	0	0	111.2	Y585 V594 L595 L601	L581-Y585 VanDerWaalsContact O-CB 3.31Å; L581-Y585 WeakPolarHBondContact O-CB 3.26Å; L581-Y585 PolarHBondContact O-N 3.35Å; L581-V594 HydrophobicContact CD2-CG1 3.94Å; L581-L595 HydrophobicContact CD1-CD2 4.17Å; L581-L601 HydrophobicContact CD2-CB 4.25Å; L581-L601 HydrophobicContact CD2-CD2 4.41Å
582	T	69.8	Low	69.5	Low	13 Å²	13	51.6 Å²	51.6	8%	0.08	27%	0.268	C	S	.	.	H	α-helix	trans	-66.5	-48.9	172.2	-59	0	0	0	0	111.1	L536 L539 T578 E579 E580 L584 Y585 Y586	L536-T582 HydrophobicContact CD2-CG2 3.87Å; L539-T582 HydrophobicContact CD1-CG2 3.84Å; T578-T582 VanDerWaalsContact O-CB 3.3Å; T578-T582 WeakPolarHBondContact O-CB 3.47Å; T578-T582 PolarHBondContact O-N 3.25Å; T578-T582 PolarHBondContact O-OG1 3.09Å; E579-T582 PolarHBondContact O-N 3.19Å; E580-T582 VanDerWaalsContact C-N 3.3Å; E580-T582 PolarHBondContact O-N 3.49Å; T582-L584 VanDerWaalsContact C-N 3.33Å; T582-L584 PolarHBondContact O-N 3.44Å; T582-Y585 PolarHBondContact O-N 2.78Å; T582-Y586 HydrophobicContact CG2-CD2 3.72Å; T582-Y586 HydrophobicContact CG2-CE2 3.72Å; T582-Y586 WeakPolarHBondContact O-CB 3.22Å; T582-Y586 WeakPolarHBondContact O-CD2 3.45Å; T582-Y586 PolarHBondContact O-N 3.05Å
583	K	78.9	Confident	69.6	Low	111 Å²	111	46.4 Å²	46.4	48%	0.483	25%	0.246	S	C	.	.	H	α-helix	trans	-56.1	-45	174.4	-77.2	168.3	177.9	166.9	0	111.2	E579 E580 R587	E579-K583 HydrophobicContact CG-CD 4.23Å; E579-K583 WeakPolarHBondContact O-CB 3.42Å; E579-K583 VanDerWaalsContact O-CG 3.28Å; E579-K583 WeakPolarHBondContact O-CG 3.39Å; E579-K583 PolarHBondContact O-N 2.89Å; E579-K583 WeakPolarHBondContact OE1-CE 3.22Å; E579-K583 IonicContact OE1-NZ 3.38Å; E579-K583 PolarHBondContact OE1-NZ 2.66Å; E579-K583 IonicContact OE2-NZ 3.69Å; E579-K583 PolarHBondContact OE2-NZ 2.82Å; E580-K583 PolarHBondContact O-N 2.79Å; K583-R587 WeakPolarHBondContact O-CB 3.41Å; K583-R587 VanDerWaalsContact O-CG 3.29Å; K583-R587 WeakPolarHBondContact O-CG 3.27Å; K583-R587 PolarHBondContact O-N 2.68Å
584	L	81.5	Confident	69.9	Low	1 Å²	1	44.9 Å²	44.9	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-64.6	-47.4	175.1	-85.3	174.7	0	0	0	112.7	E580 T582 Y586 R587 F588 V594 L601 V621 F638	E580-L584 PolarHBondContact O-N 3.2Å; T582-L584 VanDerWaalsContact C-N 3.33Å; T582-L584 PolarHBondContact O-N 3.44Å; L584-Y586 VanDerWaalsContact C-N 3.3Å; L584-Y586 PolarHBondContact O-N 3.39Å; L584-R587 PolarHBondContact O-N 3.28Å; L584-R587 VanDerWaalsContact O-N 3.17Å; L584-F588 HydrophobicContact CD2-CE2 4.17Å; L584-F588 WeakPolarHBondContact O-CB 3.26Å; L584-F588 WeakPolarHBondContact O-CD2 3.32Å; L584-F588 PolarHBondContact O-N 2.99Å; L584-V594 HydrophobicContact CB-CG2 4.44Å; L584-L601 HydrophobicContact CD1-CD1 3.84Å; L584-L601 HydrophobicContact CD1-CD2 3.7Å; L584-L601 HydrophobicContact CD1-CG 4.37Å; L584-V621 HydrophobicContact CD1-CG1 3.94Å; L584-V621 HydrophobicContact CD2-CG1 3.99Å; L584-V621 HydrophobicContact CD2-CG2 3.84Å; L584-F638 HydrophobicContact CD2-CE2 4.06Å; L584-F638 HydrophobicContact CD2-CZ 4.25Å
585	Y	74.3	Confident	70.3	Confident	9 Å²	9	42 Å²	42	4%	0.035	21%	0.206	C	C	.	.	H	α-helix	trans	-59.4	-41.8	179.5	-178.4	-105.6	0	0	0	112	L536 L581 T582 F588 Q589 C590 V594	L536-Y585 HydrophobicContact CB-CD1 3.88Å; L536-Y585 HydrophobicContact CB-CE1 3.73Å; L536-Y585 HydrophobicContact CD1-CD1 3.94Å; L536-Y585 HydrophobicContact CD1-CD2 4.25Å; L536-Y585 HydrophobicContact CD1-CE1 4.38Å; L536-Y585 HydrophobicContact CD1-CG 3.86Å; L536-Y585 HydrophobicContact CD2-CD1 3.96Å; L536-Y585 HydrophobicContact CD2-CG 4.41Å; L536-Y585 HydrophobicContact CG-CD1 4.14Å; L536-Y585 HydrophobicContact CG-CE1 4.47Å; L581-Y585 VanDerWaalsContact O-CB 3.31Å; L581-Y585 WeakPolarHBondContact O-CB 3.26Å; L581-Y585 PolarHBondContact O-N 3.35Å; T582-Y585 PolarHBondContact O-N 2.78Å; Y585-F588 PolarHBondContact O-N 3.43Å; Y585-Q589 PolarHBondContact O-N 2.95Å; Y585-C590 HydrophobicContact CE1-CB 3.98Å; Y585-C590 WeakPolarHBondContact CE1-SG 3.42Å; Y585-C590 HydrophobicContact CE2-CB 4.31Å; Y585-C590 PolarHBondContact O-N 2.99Å; Y585-C590 VanDerWaalsContact O-N 3.16Å; Y585-V594 HydrophobicContact CD2-CG2 4.36Å
586	Y	72.3	Confident	70.7	Confident	82 Å²	82	40.1 Å²	40.1	32%	0.322	20%	0.196	S	C	.	.	H	α-helix	trans	-62.4	-48.1	171.4	-87.6	-58.1	0	0	0	113	L539 T582 L584 F588 Q589 Q637	L539-Y586 WeakPolarHBondContact CB-OH 3.18Å; L539-Y586 HydrophobicContact CD1-CE2 4.09Å; L539-Y586 WeakPolarHBondContact CD2-OH 3.17Å; T582-Y586 HydrophobicContact CG2-CD2 3.72Å; T582-Y586 HydrophobicContact CG2-CE2 3.72Å; T582-Y586 WeakPolarHBondContact O-CB 3.22Å; T582-Y586 WeakPolarHBondContact O-CD2 3.45Å; T582-Y586 PolarHBondContact O-N 3.05Å; L584-Y586 VanDerWaalsContact C-N 3.3Å; L584-Y586 PolarHBondContact O-N 3.39Å; Y586-F588 PolarHBondContact O-N 3.07Å; Y586-Q589 WeakPolarHBondContact O-CA 3.41Å; Y586-Q589 PolarHBondContact O-N 3.1Å; Y586-Q637 PolarHBondContact O-NE2 2.93Å; Y586-Q637 PolarHBondContact O-OE1 2.79Å
587	R	81.9	Confident	70.9	Confident	53 Å²	53	38.3 Å²	38.3	20%	0.2	18%	0.184	C	C	.	.	H	α-helix	trans	-64.1	-25.5	177.9	-71.4	178.8	84.4	-170.8	11.1	112.8	K583 L584 Q589 G636 Q637 F638	K583-R587 WeakPolarHBondContact O-CB 3.41Å; K583-R587 VanDerWaalsContact O-CG 3.29Å; K583-R587 WeakPolarHBondContact O-CG 3.27Å; K583-R587 PolarHBondContact O-N 2.68Å; L584-R587 PolarHBondContact O-N 3.28Å; L584-R587 VanDerWaalsContact O-N 3.17Å; R587-Q589 PolarHBondContact O-N 3.33Å; R587-G636 PolarHBondContact NE-O 3.49Å; R587-Q637 VanDerWaalsContact CA-OE1 3.3Å; R587-Q637 PolarHBondContact O-OE1 3.34Å; R587-F638 HydrophobicContact CB-CD2 3.87Å; R587-F638 HydrophobicContact CB-CE1 4.34Å; R587-F638 HydrophobicContact CB-CE2 3.67Å; R587-F638 HydrophobicContact CB-CG 4.29Å; R587-F638 HydrophobicContact CB-CZ 3.92Å; R587-F638 VanDerWaalsContact O-CB 3.25Å; R587-F638 WeakPolarHBondContact O-CB 3.15Å; R587-F638 VanDerWaalsContact O-CD2 3.31Å; R587-F638 WeakPolarHBondContact O-CD2 3.49Å; R587-F638 WeakPolarHBondContact O-CG 3.33Å; R587-F638 PolarHBondContact O-N 2.84Å
588	F	80.7	Confident	71.4	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	7.5	168.7	-81.7	-66.8	0	0	0	113.8	L584 Y585 Y586 C590 Q591 F592 V594 V621 F623 W628 F638 I640	L584-F588 HydrophobicContact CD2-CE2 4.17Å; L584-F588 WeakPolarHBondContact O-CB 3.26Å; L584-F588 WeakPolarHBondContact O-CD2 3.32Å; L584-F588 PolarHBondContact O-N 2.99Å; Y585-F588 PolarHBondContact O-N 3.43Å; Y586-F588 PolarHBondContact O-N 3.07Å; F588-C590 PolarHBondContact O-N 3.08Å; F588-C590 VanDerWaalsContact O-N 3.16Å; F588-Q591 WeakPolarHBondContact O-CA 3.47Å; F588-Q591 WeakPolarHBondContact O-CB 3.27Å; F588-Q591 PolarHBondContact O-N 3.48Å; F588-F592 HydrophobicContact CB-CB 3.88Å; F588-F592 HydrophobicContact CD1-CB 3.59Å; F588-F592 HydrophobicContact CD1-CD1 4.18Å; F588-F592 HydrophobicContact CD1-CG 4.19Å; F588-F592 HydrophobicContact CD2-CB 4.35Å; F588-F592 AromaticContact CD2-CD1 3.88Å; F588-F592 HydrophobicContact CD2-CD1 3.88Å; F588-F592 HydrophobicContact CE1-CB 4.21Å; F588-F592 HydrophobicContact CE1-CD1 4.14Å; F588-F592 HydrophobicContact CE1-CG 4.34Å; F588-F592 AromaticContact CE2-CD1 3.84Å; F588-F592 HydrophobicContact CE2-CD1 3.84Å; F588-F592 HydrophobicContact CE2-CE1 4.43Å; F588-F592 HydrophobicContact CG-CB 3.7Å; F588-F592 HydrophobicContact CG-CD1 4.08Å; F588-F592 HydrophobicContact CG-CG 4.34Å; F588-F592 AromaticContact CZ-CD1 3.98Å; F588-F592 HydrophobicContact CZ-CD1 3.98Å; F588-V594 HydrophobicContact CD2-CG2 3.88Å; F588-V594 HydrophobicContact CE2-CG2 4.44Å; F588-V621 HydrophobicContact CE2-CG2 4.45Å; F588-V621 HydrophobicContact CZ-CG2 4.32Å; F588-F623 HydrophobicContact CE2-CE2 4.46Å; F588-F623 HydrophobicContact CE2-CZ 4.45Å; F588-W628 AromaticContact CE1-CD2 3.71Å; F588-W628 HydrophobicContact CE1-CD2 3.71Å; F588-W628 AromaticContact CE1-CE2 3.68Å; F588-W628 HydrophobicContact CE1-CE3 4.13Å; F588-W628 HydrophobicContact CE1-CG 4Å; F588-W628 HydrophobicContact CE1-CH2 4.48Å; F588-W628 HydrophobicContact CE1-CZ2 4.09Å; F588-W628 HydrophobicContact CE1-CZ3 4.5Å; F588-W628 AromaticContact CE1-NE1 3.94Å; F588-W628 HydrophobicContact CZ-CB 4.29Å; F588-W628 AromaticContact CZ-CD1 3.75Å; F588-W628 HydrophobicContact CZ-CD2 4.03Å; F588-W628 AromaticContact CZ-CG 3.8Å; F588-W628 HydrophobicContact CZ-CG 3.8Å; F588-W628 AromaticContact CZ-NE1 3.89Å; F588-F638 AromaticContact CD1-CD2 3.71Å; F588-F638 HydrophobicContact CD1-CD2 3.71Å; F588-F638 HydrophobicContact CD1-CE2 4.37Å; F588-F638 HydrophobicContact CD2-CD2 4.12Å; F588-F638 HydrophobicContact CD2-CE2 4.03Å; F588-F638 AromaticContact CE1-CD2 3.77Å; F588-F638 HydrophobicContact CE1-CD2 3.77Å; F588-F638 HydrophobicContact CE1-CE2 4.2Å; F588-F638 HydrophobicContact CE2-CD2 4.17Å; F588-F638 AromaticContact CE2-CE2 3.85Å; F588-F638 HydrophobicContact CE2-CE2 3.85Å; F588-F638 AromaticContact CG-CD2 3.88Å; F588-F638 HydrophobicContact CG-CD2 3.88Å; F588-F638 HydrophobicContact CG-CE2 4.27Å; F588-F638 AromaticContact CZ-CD2 3.99Å; F588-F638 HydrophobicContact CZ-CD2 3.99Å; F588-F638 AromaticContact CZ-CE2 3.93Å; F588-F638 HydrophobicContact CZ-CE2 3.93Å; F588-I640 HydrophobicContact CD1-CD1 3.77Å; F588-I640 HydrophobicContact CE1-CD1 4.47Å
589	Q	73	Confident	72.3	Confident	78 Å²	78	35.7 Å²	35.7	36%	0.364	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	29.6	-179.7	-58	-177.5	-22.6	0	0	113.8	Y585 Y586 R587 Q591 Q637	Y585-Q589 PolarHBondContact O-N 2.95Å; Y586-Q589 WeakPolarHBondContact O-CA 3.41Å; Y586-Q589 PolarHBondContact O-N 3.1Å; R587-Q589 PolarHBondContact O-N 3.33Å; Q589-Q591 HydrophobicContact CB-CG 4.18Å; Q589-Q591 PolarHBondContact O-N 2.76Å; Q589-Q637 HydrophobicContact CG-CB 4.37Å; Q589-Q637 HydrophobicContact CG-CG 4.49Å; Q589-Q637 VanDerWaalsContact CG-OE1 3.27Å
590	C	64.4	Low	72.9	Confident	10 Å²	10	34.7 Å²	34.7	7%	0.068	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	4.2	-167.3	-51	0	0	0	0	115.2	Y585 F588 F592	Y585-C590 HydrophobicContact CE1-CB 3.98Å; Y585-C590 WeakPolarHBondContact CE1-SG 3.42Å; Y585-C590 HydrophobicContact CE2-CB 4.31Å; Y585-C590 PolarHBondContact O-N 2.99Å; Y585-C590 VanDerWaalsContact O-N 3.16Å; F588-C590 PolarHBondContact O-N 3.08Å; F588-C590 VanDerWaalsContact O-N 3.16Å; C590-F592 VanDerWaalsContact C-N 3.35Å; C590-F592 PolarHBondContact O-N 3.45Å
591	Q	62.7	Low	73.5	Confident	61 Å²	61	32.7 Å²	32.7	29%	0.285	16%	0.163	S	C	.	.			trans	-84.5	-2.7	-177.6	-60.9	176.6	26.3	0	0	114	S341 F588 Q589 I640	S341-Q591 WeakPolarHBondContact CB-O 3.35Å; S341-Q591 PolarHBondContact OG-O 2.88Å; F588-Q591 WeakPolarHBondContact O-CA 3.47Å; F588-Q591 WeakPolarHBondContact O-CB 3.27Å; F588-Q591 PolarHBondContact O-N 3.48Å; Q589-Q591 HydrophobicContact CB-CG 4.18Å; Q589-Q591 PolarHBondContact O-N 2.76Å; Q591-I640 HydrophobicContact CB-CG1 4.31Å
592	F	75.9	Confident	74.2	Confident	8 Å²	8	33.9 Å²	33.9	4%	0.035	17%	0.169	C	C	.	.	S	Bend	trans	-130.2	131.7	171.6	178.4	-111.7	0	0	0	111.5	F588 C590 V594 F623 W628	F588-F592 HydrophobicContact CB-CB 3.88Å; F588-F592 HydrophobicContact CD1-CB 3.59Å; F588-F592 HydrophobicContact CD1-CD1 4.18Å; F588-F592 HydrophobicContact CD1-CG 4.19Å; F588-F592 HydrophobicContact CD2-CB 4.35Å; F588-F592 AromaticContact CD2-CD1 3.88Å; F588-F592 HydrophobicContact CD2-CD1 3.88Å; F588-F592 HydrophobicContact CE1-CB 4.21Å; F588-F592 HydrophobicContact CE1-CD1 4.14Å; F588-F592 HydrophobicContact CE1-CG 4.34Å; F588-F592 AromaticContact CE2-CD1 3.84Å; F588-F592 HydrophobicContact CE2-CD1 3.84Å; F588-F592 HydrophobicContact CE2-CE1 4.43Å; F588-F592 HydrophobicContact CG-CB 3.7Å; F588-F592 HydrophobicContact CG-CD1 4.08Å; F588-F592 HydrophobicContact CG-CG 4.34Å; F588-F592 AromaticContact CZ-CD1 3.98Å; F588-F592 HydrophobicContact CZ-CD1 3.98Å; C590-F592 VanDerWaalsContact C-N 3.35Å; C590-F592 PolarHBondContact O-N 3.45Å; F592-V594 HydrophobicContact CD1-CG2 4.02Å; F592-V594 HydrophobicContact CE1-CG2 4.48Å; F592-V594 PolarHBondContact O-N 3.14Å; F592-F623 HydrophobicContact CE1-CD2 4.26Å; F592-F623 AromaticContact CE1-CE2 3.63Å; F592-F623 HydrophobicContact CE1-CE2 3.63Å; F592-F623 AromaticContact CE1-CZ 3.89Å; F592-F623 HydrophobicContact CE1-CZ 3.89Å; F592-F623 HydrophobicContact CZ-CD2 4.5Å; F592-F623 HydrophobicContact CZ-CE2 4.29Å; F592-W628 HydrophobicContact CB-CZ2 4.28Å; F592-W628 AromaticContact CD1-NE1 3.66Å; F592-W628 AromaticContact CD2-CE2 3.97Å; F592-W628 AromaticContact CD2-CZ2 3.65Å; F592-W628 HydrophobicContact CD2-CZ2 3.65Å; F592-W628 AromaticContact CD2-NE1 3.67Å; F592-W628 AromaticContact CE1-NE1 3.43Å; F592-W628 HydrophobicContact CE2-CZ2 4.12Å; F592-W628 AromaticContact CE2-NE1 3.43Å; F592-W628 AromaticContact CG-CZ2 3.93Å; F592-W628 HydrophobicContact CG-CZ2 3.93Å; F592-W628 AromaticContact CG-NE1 3.78Å; F592-W628 AromaticContact CZ-NE1 3.29Å; F592-W628 VanDerWaalsContact CZ-NE1 3.29Å
593	N	71.7	Confident	75.1	Confident	18 Å²	18	36.5 Å²	36.5	10%	0.096	18%	0.177	C	C	.	.			trans	-74.7	87.9	176.2	-176.3	3.8	0	0	0	111.3	S340 R533 L595 E596 R599	S340-N593 VanDerWaalsContact OG-CB 3.24Å; S340-N593 WeakPolarHBondContact OG-CB 3.46Å; S340-N593 PolarHBondContact OG-ND2 2.67Å; S340-N593 VanDerWaalsContact OG-ND2 3.12Å; R533-N593 PolarHBondContact NH2-OD1 2.98Å; N593-L595 PolarHBondContact O-N 3.38Å; N593-L595 WeakPolarHBondContact OD1-CA 3.42Å; N593-L595 PolarHBondContact OD1-N 2.91Å; N593-L595 VanDerWaalsContact OD1-N 3.14Å; N593-L595 PolarHBondContact OD1-O 3.47Å; N593-E596 PolarHBondContact OD1-N 2.85Å; N593-R599 PolarHBondContact O-NH1 2.92Å
594	V	73.7	Confident	75.7	Confident	5 Å²	5	33.5 Å²	33.5	3%	0.03	17%	0.165	C	C	.	.	S	Bend	trans	-62	-30.6	173	-178.7	0	0	0	0	111.5	L581 L584 Y585 F588 F592 F623	L581-V594 HydrophobicContact CD2-CG1 3.94Å; L584-V594 HydrophobicContact CB-CG2 4.44Å; Y585-V594 HydrophobicContact CD2-CG2 4.36Å; F588-V594 HydrophobicContact CD2-CG2 3.88Å; F588-V594 HydrophobicContact CE2-CG2 4.44Å; F592-V594 HydrophobicContact CD1-CG2 4.02Å; F592-V594 HydrophobicContact CE1-CG2 4.48Å; F592-V594 PolarHBondContact O-N 3.14Å; V594-F623 HydrophobicContact CG1-CE1 4.16Å; V594-F623 HydrophobicContact CG1-CZ 4.35Å
595	L	69.6	Low	76.2	Confident	10 Å²	10	34.5 Å²	34.5	5%	0.052	17%	0.172	C	C	.	.			trans	-105	64.6	-177.4	-55.6	-178	0	0	0	112	Q529 M532 R533 L536 L581 N593	Q529-L595 HydrophobicContact CB-CB 4.13Å; Q529-L595 HydrophobicContact CG-CB 4.21Å; Q529-L595 WeakPolarHBondContact O-CD1 3.48Å; Q529-L595 PolarHBondContact OE1-O 3.03Å; M532-L595 HydrophobicContact CB-CD1 3.83Å; R533-L595 HydrophobicContact CB-CD1 4.24Å; R533-L595 PolarHBondContact NH1-O 3.38Å; R533-L595 PolarHBondContact NH2-O 3.39Å; L536-L595 HydrophobicContact CD1-CD1 3.59Å; L536-L595 HydrophobicContact CD1-CG 4.28Å; L581-L595 HydrophobicContact CD1-CD2 4.17Å; N593-L595 PolarHBondContact O-N 3.38Å; N593-L595 WeakPolarHBondContact OD1-CA 3.42Å; N593-L595 PolarHBondContact OD1-N 2.91Å; N593-L595 VanDerWaalsContact OD1-N 3.14Å; N593-L595 PolarHBondContact OD1-O 3.47Å
596	E	69.8	Low	77.1	Confident	26 Å²	26	40.4 Å²	40.4	12%	0.121	20%	0.2	C	C	.	.			trans	-100.8	140.3	171.5	-169.5	173.6	170.7	0	0	110.4	R339 Q529 N593 G598 R599	R339-E596 WeakPolarHBondContact CD-OE1 3.48Å; R339-E596 IonicContact CZ-OE1 3.32Å; R339-E596 IonicContact NE-OE1 3.16Å; R339-E596 IonicContact NH1-OE1 3.92Å; R339-E596 PolarHBondContact NH1-OE1 3.22Å; Q529-E596 VanDerWaalsContact NE2-C 3.35Å; Q529-E596 PolarHBondContact NE2-O 3Å; Q529-E596 PolarHBondContact OE1-O 3.33Å; N593-E596 PolarHBondContact OD1-N 2.85Å; E596-G598 PolarHBondContact O-N 3.35Å; E596-R599 HydrophobicContact CB-CB 4.2Å; E596-R599 VanDerWaalsContact CB-NH1 3.25Å; E596-R599 WeakPolarHBondContact O-CA 3.43Å; E596-R599 WeakPolarHBondContact O-CB 3.44Å; E596-R599 PolarHBondContact O-N 3.43Å; E596-R599 IonicContact OE2-CZ 3.59Å; E596-R599 IonicContact OE2-NH1 2.76Å; E596-R599 PolarHBondContact OE2-NH1 3.46Å; E596-R599 IonicContact OE2-NH2 2.7Å; E596-R599 PolarHBondContact OE2-NH2 3.38Å
597	P	61	Low	78.1	Confident	31 Å²	31	36.9 Å²	36.9	20%	0.201	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	130.4	-172.7	-32	38.6	0	0	0	114.4	Q522 Q523 Q526 Q529 R599	Q522-P597 WeakPolarHBondContact O-CB 3.18Å; Q523-P597 VanDerWaalsContact NE2-CG 3.33Å; Q526-P597 HydrophobicContact CB-CG 4.29Å; Q526-P597 HydrophobicContact CG-CG 4.46Å; Q529-P597 VanDerWaalsContact OE1-CA 3.27Å; P597-R599 PolarHBondContact O-N 3Å
598	G	66.6	Low	78.6	Confident	19 Å²	19	37.9 Å²	37.9	20%	0.196	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	0.5	-171.9	0	0	0	0	0	115.6	Q522 E596 T624	Q522-G598 PolarHBondContact O-N 3.05Å; E596-G598 PolarHBondContact O-N 3.35Å; G598-T624 PolarHBondContact O-OG1 3.11Å
599	R	79.7	Confident	79.1	Confident	8 Å²	8	39.1 Å²	39.1	3%	0.03	20%	0.2	C	C	.	.			trans	-81.2	121.1	165	-172.1	170	-69.5	126.6	16.9	109.3	N593 E596 P597 F623 T624 D625	N593-R599 PolarHBondContact O-NH1 2.92Å; E596-R599 HydrophobicContact CB-CB 4.2Å; E596-R599 VanDerWaalsContact CB-NH1 3.25Å; E596-R599 WeakPolarHBondContact O-CA 3.43Å; E596-R599 WeakPolarHBondContact O-CB 3.44Å; E596-R599 PolarHBondContact O-N 3.43Å; E596-R599 IonicContact OE2-CZ 3.59Å; E596-R599 IonicContact OE2-NH1 2.76Å; E596-R599 PolarHBondContact OE2-NH1 3.46Å; E596-R599 IonicContact OE2-NH2 2.7Å; E596-R599 PolarHBondContact OE2-NH2 3.38Å; P597-R599 PolarHBondContact O-N 3Å; R599-F623 HydrophobicContact CG-CB 3.83Å; R599-F623 HydrophobicContact CG-CD1 3.52Å; R599-F623 HydrophobicContact CG-CE1 4.29Å; R599-F623 HydrophobicContact CG-CG 3.83Å; R599-T624 WeakPolarHBondContact CA-OG1 3.24Å; R599-D625 IonicContact CZ-OD1 3.73Å; R599-D625 IonicContact CZ-OD2 2.68Å; R599-D625 IonicContact NE-OD1 3.18Å; R599-D625 PolarHBondContact NE-OD1 3.42Å; R599-D625 IonicContact NE-OD2 3.39Å; R599-D625 PolarHBondContact NE-OD2 3.49Å; R599-D625 IonicContact NH2-OD1 2.66Å; R599-D625 IonicContact NH2-OD2 3.73Å; R599-D625 PolarHBondContact NH2-OD2 2.88Å
600	V	78.7	Confident	79.9	Confident	79 Å²	79	38.9 Å²	38.9	48%	0.479	20%	0.199	S	C	.	.			trans	-129.3	140.4	173.4	-174.6	0	0	0	0	108	F623 T624	V600-F623 VanDerWaalsContact O-CA 3.26Å; V600-F623 WeakPolarHBondContact O-CA 3.3Å; V600-T624 HydrophobicContact CB-CG2 3.9Å; V600-T624 HydrophobicContact CG2-CG2 4.45Å; V600-T624 PolarHBondContact N-OG1 3.37Å; V600-T624 VanDerWaalsContact N-OG1 3.13Å; V600-T624 PolarHBondContact O-N 3.29Å; V600-T624 VanDerWaalsContact O-N 3.12Å
601	L	85.2	Confident	80.8	Confident	32 Å²	32	40.1 Å²	40.1	17%	0.168	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	128.7	171.3	179.4	67.4	0	0	0	109.3	L581 L584 V621 F623	L581-L601 HydrophobicContact CD2-CB 4.25Å; L581-L601 HydrophobicContact CD2-CD2 4.41Å; L584-L601 HydrophobicContact CD1-CD1 3.84Å; L584-L601 HydrophobicContact CD1-CD2 3.7Å; L584-L601 HydrophobicContact CD1-CG 4.37Å; L601-V621 HydrophobicContact CD1-CG1 3.49Å; L601-V621 VanDerWaalsContact CD1-CG1 3.49Å; L601-F623 HydrophobicContact CB-CD1 4.41Å; L601-F623 HydrophobicContact CB-CE1 4.25Å; L601-F623 HydrophobicContact CD1-CD1 4.49Å; L601-F623 HydrophobicContact CD1-CE1 4.13Å; L601-F623 HydrophobicContact CD1-CZ 4.44Å
602	I	86.8	Confident	81.5	Confident	57 Å²	57	49.3 Å²	49.3	29%	0.292	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-47.6	177.9	-58.1	179.6	0	0	0	110.4	L622 T624 D690 A694	I602-L622 HydrophobicContact CB-CB 4.48Å; I602-L622 HydrophobicContact CB-CD2 4.12Å; I602-L622 HydrophobicContact CB-CG 4.03Å; I602-L622 HydrophobicContact CD1-CG 4.32Å; I602-L622 HydrophobicContact CG2-CD2 4.03Å; I602-L622 HydrophobicContact CG2-CG 4.49Å; I602-L622 PolarHBondContact N-O 3.44Å; I602-T624 HydrophobicContact CD1-CG2 3.97Å; I602-T624 HydrophobicContact CG1-CG2 4.2Å; I602-D690 HydrophobicContact CG2-CB 3.98Å; I602-A694 HydrophobicContact CD1-CB 3.65Å
603	R	89.1	Confident	81.6	Confident	69 Å²	69	58.2 Å²	58.2	26%	0.26	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	150.5	-179.7	-168.9	173.6	-68.3	-104.5	-0.2	111.6	L622 W687 D690	R603-L622 PolarHBondContact N-O 2.7Å; R603-L622 PolarHBondContact O-N 3.33Å; R603-W687 HydrophobicContact CB-CH2 4.14Å; R603-W687 HydrophobicContact CB-CZ2 4.21Å; R603-W687 HydrophobicContact CG-CD2 4.45Å; R603-W687 HydrophobicContact CG-CH2 4.12Å; R603-W687 HydrophobicContact CG-CZ2 3.66Å; R603-D690 IonicContact CZ-OD2 3.96Å; R603-D690 IonicContact NE-OD2 3.9Å; R603-D690 PolarHBondContact NE-OD2 3.2Å; R603-D690 IonicContact NH2-OD2 2.73Å; R603-D690 PolarHBondContact NH2-OD2 3.36Å
604	Q	91.6	Very high	82.4	Confident	48 Å²	48	62.2 Å²	62.2	22%	0.224	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	144.1	166	57.9	-177.1	-10.5	0	0	110.5	Y619 L620	Q604-Y619 HydrophobicContact CB-CE1 3.79Å; Q604-Y619 HydrophobicContact CG-CE1 4.44Å; Q604-Y619 PolarHBondContact OE1-OH 2.77Å; Q604-L620 VanDerWaalsContact CA-O 3.24Å; Q604-L620 WeakPolarHBondContact CA-O 2.98Å; Q604-L620 WeakPolarHBondContact CB-O 3.41Å
605	S	91.1	Very high	83.2	Confident	21 Å²	21	66.1 Å²	66.1	15%	0.147	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	166.6	171.9	75.7	0	0	0	0	112.4	L620 E683 W687	S605-L620 PolarHBondContact N-O 3.04Å; S605-L620 PolarHBondContact O-N 3.44Å; S605-E683 VanDerWaalsContact CB-OE1 3.29Å; S605-E683 WeakPolarHBondContact CB-OE1 3.24Å; S605-E683 PolarHBondContact OG-OE1 2.84Å; S605-W687 WeakPolarHBondContact OG-CZ2 3.29Å; S605-W687 PolarHBondContact OG-NE1 3.25Å
606	E	92.6	Very high	84.2	Confident	134 Å²	134	67.4 Å²	67.4	63%	0.626	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	132.4	172.9	-72.2	-173.9	178.8	0	0	110.9	Y619	E606-Y619 HydrophobicContact CG-CD2 3.31Å; E606-Y619 HydrophobicContact CG-CE2 3.5Å; E606-Y619 HydrophobicContact CG-CG 4.4Å; E606-Y619 WeakPolarHBondContact OE1-CD2 3.3Å; E606-Y619 WeakPolarHBondContact OE1-CE2 3.02Å
607	V	93.8	Very high	85.2	Confident	7 Å²	7	70.5 Å²	70.5	4%	0.042	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	154.6	-171.6	-53.8	0	0	0	0	111	R618 L620 I676 F678	V607-R618 HydrophobicContact CG2-CB 4.1Å; V607-R618 PolarHBondContact N-O 3.24Å; V607-R618 PolarHBondContact O-N 2.58Å; V607-R618 VanDerWaalsContact O-O 3.11Å; V607-L620 HydrophobicContact CG1-CD1 3.87Å; V607-L620 HydrophobicContact CG1-CG 3.95Å; V607-L620 HydrophobicContact CG2-CD1 4.18Å; V607-L620 HydrophobicContact CG2-CD2 4.1Å; V607-L620 HydrophobicContact CG2-CG 3.71Å; V607-I676 HydrophobicContact CB-CG2 3.68Å; V607-I676 HydrophobicContact CG1-CG2 4.05Å; V607-I676 HydrophobicContact CG2-CD1 4.37Å; V607-I676 HydrophobicContact CG2-CG2 3.63Å; V607-F678 HydrophobicContact CG1-CD1 3.59Å; V607-F678 HydrophobicContact CG1-CE1 3.53Å
608	M	92	Very high	86.7	Confident	75 Å²	75	70.2 Å²	70.2	37%	0.369	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	126.8	170.1	-63.8	-57.5	-76.7	0	0	109.6	L615 P617 I677	M608-L615 HydrophobicContact CE-CB 3.82Å; M608-P617 HydrophobicContact SD-CB 3.93Å; M608-I677 HydrophobicContact CB-CB 4.36Å; M608-I677 PolarHBondContact N-O 3.26Å; M608-I677 PolarHBondContact O-N 2.84Å
609	K	91.4	Very high	88	Confident	25 Å²	25	70.6 Å²	70.6	11%	0.109	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	122.9	174.8	-176	-164.7	172.7	-61	0	109.8	T611 Q616 R618 Y644 A674 I676	K609-T611 PolarHBondContact O-N 2.72Å; K609-Q616 PolarHBondContact N-O 3.48Å; K609-Q616 PolarHBondContact O-N 3.19Å; K609-R618 HydrophobicContact CB-CB 4.42Å; K609-R618 HydrophobicContact CB-CG 3.72Å; K609-R618 HydrophobicContact CD-CG 4.23Å; K609-Y644 WeakPolarHBondContact CE-OH 3.24Å; K609-A674 HydrophobicContact CD-CB 4.38Å; K609-A674 HydrophobicContact CG-CB 4.44Å; K609-I676 HydrophobicContact CB-CD1 4.12Å; K609-I676 HydrophobicContact CG-CD1 3.98Å
610	Q	89.8	Confident	88.7	Confident	74 Å²	74	70.2 Å²	70.2	35%	0.346	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	132.7	168.4	-175.3	64.9	56	0	0	110.6	L615 L675	Q610-L615 HydrophobicContact CB-CD2 4.32Å; Q610-L675 HydrophobicContact CB-CB 4.1Å; Q610-L675 HydrophobicContact CB-CD2 4.22Å; Q610-L675 HydrophobicContact CG-CD2 4.49Å; Q610-L675 PolarHBondContact N-O 3.05Å; Q610-L675 VanDerWaalsContact N-O 3.08Å
611	T	83.3	Confident	89.4	Confident	35 Å²	35	66.5 Å²	66.5	22%	0.215	31%	0.31	C	S	.	.			trans	-116.1	-176.4	170	78.1	0	0	0	0	110.8	K609 K613 E614 Q616	K609-T611 PolarHBondContact O-N 2.72Å; T611-K613 PolarHBondContact O-N 2.89Å; T611-K613 PolarHBondContact OG1-N 2.73Å; T611-E614 WeakPolarHBondContact CB-O 3.44Å; T611-E614 PolarHBondContact N-O 3.05Å; T611-E614 PolarHBondContact OG1-N 2.67Å; T611-E614 PolarHBondContact OG1-O 3.13Å; T611-Q616 HydrophobicContact CG2-CB 4.24Å; T611-Q616 HydrophobicContact CG2-CG 3.79Å
612	R	77.1	Confident	89.7	Confident	255 Å²	255	65 Å²	65	96%	0.962	30%	0.302	S	S	*	.	S	Bend	trans	-71.2	-10.8	175.6	-67.3	-176.2	179.7	171.5	-1.4	114
613	K	79.3	Confident	89.9	Confident	194 Å²	194	62.3 Å²	62.3	84%	0.843	29%	0.288	S	S	*	.	S	Bend	trans	-123.3	-43.5	-177.1	-66.9	-169.9	174.2	-169.3	0	112.6	T611	T611-K613 PolarHBondContact O-N 2.89Å; T611-K613 PolarHBondContact OG1-N 2.73Å
614	E	88.3	Confident	89.7	Confident	102 Å²	102	61 Å²	61	48%	0.477	29%	0.288	S	S	.	.	S	Bend	trans	-152.3	168.2	-166.4	69	-158.5	-177.2	0	0	112	T611 Q616	T611-E614 WeakPolarHBondContact CB-O 3.44Å; T611-E614 PolarHBondContact N-O 3.05Å; T611-E614 PolarHBondContact OG1-N 2.67Å; T611-E614 PolarHBondContact OG1-O 3.13Å; E614-Q616 HydrophobicContact CG-CG 3.71Å; E614-Q616 WeakPolarHBondContact OE1-CG 3.23Å; E614-Q616 PolarHBondContact OE1-NE2 2.99Å
615	L	90.3	Very high	89.2	Confident	87 Å²	87	59.4 Å²	59.4	46%	0.455	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	133.9	162.3	-62.3	179.3	0	0	0	109.3	M608 Q610 I677	M608-L615 HydrophobicContact CE-CB 3.82Å; Q610-L615 HydrophobicContact CB-CD2 4.32Å; L615-I677 HydrophobicContact CD2-CD1 3.55Å
616	Q	90.1	Very high	89.1	Confident	38 Å²	38	60.9 Å²	60.9	18%	0.178	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	137.3	174	-62.9	-172.9	-10.8	0	0	111.7	K609 T611 E614 R618	K609-Q616 PolarHBondContact N-O 3.48Å; K609-Q616 PolarHBondContact O-N 3.19Å; T611-Q616 HydrophobicContact CG2-CB 4.24Å; T611-Q616 HydrophobicContact CG2-CG 3.79Å; E614-Q616 HydrophobicContact CG-CG 3.71Å; E614-Q616 WeakPolarHBondContact OE1-CG 3.23Å; E614-Q616 PolarHBondContact OE1-NE2 2.99Å; Q616-R618 VanDerWaalsContact CB-NH1 3.27Å; Q616-R618 VanDerWaalsContact OE1-NH1 3.1Å
617	P	91.3	Very high	89.1	Confident	91 Å²	91	54.5 Å²	54.5	59%	0.591	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.8	143.3	176.5	27.3	-34.7	0	0	0	111.6	M608	M608-P617 HydrophobicContact SD-CB 3.93Å
618	R	93.3	Very high	89.1	Confident	25 Å²	25	54.9 Å²	54.9	9%	0.094	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	153.4	176.1	-70.4	-61.6	-177.3	-75	-1.3	109.9	V607 K609 Q616 I629 C630	V607-R618 HydrophobicContact CG2-CB 4.1Å; V607-R618 PolarHBondContact N-O 3.24Å; V607-R618 PolarHBondContact O-N 2.58Å; V607-R618 VanDerWaalsContact O-O 3.11Å; K609-R618 HydrophobicContact CB-CB 4.42Å; K609-R618 HydrophobicContact CB-CG 3.72Å; K609-R618 HydrophobicContact CD-CG 4.23Å; Q616-R618 VanDerWaalsContact CB-NH1 3.27Å; Q616-R618 VanDerWaalsContact OE1-NH1 3.1Å; R618-I629 HydrophobicContact CB-CG2 4.29Å; R618-I629 HydrophobicContact CG-CG2 4.29Å; R618-C630 WeakPolarHBondContact CA-O 3.46Å; R618-C630 WeakPolarHBondContact CD-O 3.01Å
619	Y	93.7	Very high	89.1	Confident	26 Å²	26	51.3 Å²	51.3	10%	0.102	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	124.8	173.3	-156.6	-87.2	0	0	0	108.4	Q604 E606 V621 C630 F638	Q604-Y619 HydrophobicContact CB-CE1 3.79Å; Q604-Y619 HydrophobicContact CG-CE1 4.44Å; Q604-Y619 PolarHBondContact OE1-OH 2.77Å; E606-Y619 HydrophobicContact CG-CD2 3.31Å; E606-Y619 HydrophobicContact CG-CE2 3.5Å; E606-Y619 HydrophobicContact CG-CG 4.4Å; E606-Y619 WeakPolarHBondContact OE1-CD2 3.3Å; E606-Y619 WeakPolarHBondContact OE1-CE2 3.02Å; Y619-V621 HydrophobicContact CD1-CG2 3.72Å; Y619-V621 HydrophobicContact CE1-CG2 3.98Å; Y619-C630 PolarHBondContact N-O 3.39Å; Y619-C630 WeakPolarHBondContact O-CB 3.49Å; Y619-C630 PolarHBondContact O-N 3.05Å; Y619-F638 AromaticContact CD1-CE1 3.78Å; Y619-F638 HydrophobicContact CD1-CE1 3.78Å; Y619-F638 AromaticContact CD1-CZ 3.53Å; Y619-F638 HydrophobicContact CD1-CZ 3.53Å; Y619-F638 HydrophobicContact CD2-CE1 4.49Å; Y619-F638 HydrophobicContact CE1-CZ 4.08Å; Y619-F638 AromaticContact CG-CE1 3.73Å; Y619-F638 HydrophobicContact CG-CE1 3.73Å; Y619-F638 AromaticContact CG-CZ 3.99Å; Y619-F638 HydrophobicContact CG-CZ 3.99Å
620	L	94.4	Very high	89.1	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	140.2	172.4	-63.6	-171	0	0	0	110.3	Q604 S605 V607 L627 W628 I629 I676 F678 W687	Q604-L620 VanDerWaalsContact CA-O 3.24Å; Q604-L620 WeakPolarHBondContact CA-O 2.98Å; Q604-L620 WeakPolarHBondContact CB-O 3.41Å; S605-L620 PolarHBondContact N-O 3.04Å; S605-L620 PolarHBondContact O-N 3.44Å; V607-L620 HydrophobicContact CG1-CD1 3.87Å; V607-L620 HydrophobicContact CG1-CG 3.95Å; V607-L620 HydrophobicContact CG2-CD1 4.18Å; V607-L620 HydrophobicContact CG2-CD2 4.1Å; V607-L620 HydrophobicContact CG2-CG 3.71Å; L620-L627 HydrophobicContact CB-CD1 4.47Å; L620-W628 WeakPolarHBondContact CA-O 3.41Å; L620-I629 HydrophobicContact CD2-CB 4.12Å; L620-I629 HydrophobicContact CD2-CD1 4.28Å; L620-I629 HydrophobicContact CD2-CG1 3.78Å; L620-I629 HydrophobicContact CD2-CG2 3.93Å; L620-I676 HydrophobicContact CD1-CG2 4.32Å; L620-F678 HydrophobicContact CD1-CE1 3.96Å; L620-F678 HydrophobicContact CD1-CZ 4.11Å; L620-W687 HydrophobicContact CB-CH2 3.3Å; L620-W687 HydrophobicContact CB-CZ2 3.71Å; L620-W687 HydrophobicContact CB-CZ3 3.96Å; L620-W687 HydrophobicContact CD1-CD2 4.26Å; L620-W687 HydrophobicContact CD1-CE3 4.06Å; L620-W687 HydrophobicContact CD1-CH2 3.83Å; L620-W687 HydrophobicContact CD1-CZ2 3.99Å; L620-W687 HydrophobicContact CD1-CZ3 3.81Å; L620-W687 HydrophobicContact CG-CH2 4.22Å; L620-W687 HydrophobicContact CG-CZ2 4.46Å
621	V	92.9	Very high	89.1	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	110.8	169.2	-163.8	0	0	0	0	108.4	L584 F588 L601 Y619 F623 W628 F638	L584-V621 HydrophobicContact CD1-CG1 3.94Å; L584-V621 HydrophobicContact CD2-CG1 3.99Å; L584-V621 HydrophobicContact CD2-CG2 3.84Å; F588-V621 HydrophobicContact CE2-CG2 4.45Å; F588-V621 HydrophobicContact CZ-CG2 4.32Å; L601-V621 HydrophobicContact CD1-CG1 3.49Å; L601-V621 VanDerWaalsContact CD1-CG1 3.49Å; Y619-V621 HydrophobicContact CD1-CG2 3.72Å; Y619-V621 HydrophobicContact CE1-CG2 3.98Å; V621-F623 HydrophobicContact CB-CE2 4.07Å; V621-F623 HydrophobicContact CG1-CD2 4.22Å; V621-F623 HydrophobicContact CG1-CE1 4.37Å; V621-F623 HydrophobicContact CG1-CE2 3.44Å; V621-F623 VanDerWaalsContact CG1-CE2 3.44Å; V621-F623 HydrophobicContact CG1-CZ 3.54Å; V621-W628 HydrophobicContact CB-CB 4.2Å; V621-W628 PolarHBondContact N-O 3.27Å; V621-W628 VanDerWaalsContact N-O 3.13Å; V621-W628 PolarHBondContact O-N 3.41Å; V621-F638 HydrophobicContact CG2-CE2 4.33Å; V621-F638 HydrophobicContact CG2-CZ 4.26Å
622	L	92.1	Very high	89.4	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	121.5	178.3	179.5	59.5	0	0	0	110.5	I602 R603 L627 L648 W687 D690 L691	I602-L622 HydrophobicContact CB-CB 4.48Å; I602-L622 HydrophobicContact CB-CD2 4.12Å; I602-L622 HydrophobicContact CB-CG 4.03Å; I602-L622 HydrophobicContact CD1-CG 4.32Å; I602-L622 HydrophobicContact CG2-CD2 4.03Å; I602-L622 HydrophobicContact CG2-CG 4.49Å; I602-L622 PolarHBondContact N-O 3.44Å; R603-L622 PolarHBondContact N-O 2.7Å; R603-L622 PolarHBondContact O-N 3.33Å; L622-L627 HydrophobicContact CB-CD1 4.11Å; L622-L627 HydrophobicContact CD1-CB 4.19Å; L622-L627 HydrophobicContact CD1-CD1 4.25Å; L622-L648 HydrophobicContact CD1-CD1 4.11Å; L622-L648 HydrophobicContact CD1-CD2 3.93Å; L622-W687 HydrophobicContact CB-CH2 4.2Å; L622-W687 HydrophobicContact CB-CZ3 3.77Å; L622-W687 HydrophobicContact CD2-CZ3 4.35Å; L622-D690 HydrophobicContact CD2-CB 4.08Å; L622-L691 HydrophobicContact CD1-CD2 3.6Å; L622-L691 HydrophobicContact CD2-CD2 3.91Å; L622-L691 HydrophobicContact CD2-CG 4.16Å; L622-L691 HydrophobicContact CG-CD2 4.4Å
623	F	89.7	Confident	89.7	Confident	1 Å²	1	41 Å²	41	0%	0.004	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	166.8	168.5	-61.6	-81	0	0	0	110.9	F588 F592 V594 R599 V600 L601 V621 D625 Y626 W628 L648	F588-F623 HydrophobicContact CE2-CE2 4.46Å; F588-F623 HydrophobicContact CE2-CZ 4.45Å; F592-F623 HydrophobicContact CE1-CD2 4.26Å; F592-F623 AromaticContact CE1-CE2 3.63Å; F592-F623 HydrophobicContact CE1-CE2 3.63Å; F592-F623 AromaticContact CE1-CZ 3.89Å; F592-F623 HydrophobicContact CE1-CZ 3.89Å; F592-F623 HydrophobicContact CZ-CD2 4.5Å; F592-F623 HydrophobicContact CZ-CE2 4.29Å; V594-F623 HydrophobicContact CG1-CE1 4.16Å; V594-F623 HydrophobicContact CG1-CZ 4.35Å; R599-F623 HydrophobicContact CG-CB 3.83Å; R599-F623 HydrophobicContact CG-CD1 3.52Å; R599-F623 HydrophobicContact CG-CE1 4.29Å; R599-F623 HydrophobicContact CG-CG 3.83Å; V600-F623 VanDerWaalsContact O-CA 3.26Å; V600-F623 WeakPolarHBondContact O-CA 3.3Å; L601-F623 HydrophobicContact CB-CD1 4.41Å; L601-F623 HydrophobicContact CB-CE1 4.25Å; L601-F623 HydrophobicContact CD1-CD1 4.49Å; L601-F623 HydrophobicContact CD1-CE1 4.13Å; L601-F623 HydrophobicContact CD1-CZ 4.44Å; V621-F623 HydrophobicContact CB-CE2 4.07Å; V621-F623 HydrophobicContact CG1-CD2 4.22Å; V621-F623 HydrophobicContact CG1-CE1 4.37Å; V621-F623 HydrophobicContact CG1-CE2 3.44Å; V621-F623 VanDerWaalsContact CG1-CE2 3.44Å; V621-F623 HydrophobicContact CG1-CZ 3.54Å; F623-D625 PolarHBondContact O-N 3.12Å; F623-Y626 WeakPolarHBondContact CB-O 3.4Å; F623-Y626 PolarHBondContact N-O 3.17Å; F623-W628 AromaticContact CE2-CD1 3.86Å; F623-L648 WeakPolarHBondContact O-CD1 3.37Å
624	T	84.9	Confident	89.7	Confident	41 Å²	41	38.3 Å²	38.3	25%	0.252	21%	0.207	S	C	.	.	S	Bend	trans	-57.3	-10.3	173.3	47.9	0	0	0	0	115.6	G598 R599 V600 I602	G598-T624 PolarHBondContact O-OG1 3.11Å; R599-T624 WeakPolarHBondContact CA-OG1 3.24Å; V600-T624 HydrophobicContact CB-CG2 3.9Å; V600-T624 HydrophobicContact CG2-CG2 4.45Å; V600-T624 PolarHBondContact N-OG1 3.37Å; V600-T624 VanDerWaalsContact N-OG1 3.13Å; V600-T624 PolarHBondContact O-N 3.29Å; V600-T624 VanDerWaalsContact O-N 3.12Å; I602-T624 HydrophobicContact CD1-CG2 3.97Å; I602-T624 HydrophobicContact CG1-CG2 4.2Å
625	D	82	Confident	89.1	Confident	15 Å²	15	37.5 Å²	37.5	8%	0.08	21%	0.213	C	C	.	.	S	Bend	trans	-133.7	-30.3	-178.2	68	-22	0	0	0	115.7	R599 F623 L648	R599-D625 IonicContact CZ-OD1 3.73Å; R599-D625 IonicContact CZ-OD2 2.68Å; R599-D625 IonicContact NE-OD1 3.18Å; R599-D625 PolarHBondContact NE-OD1 3.42Å; R599-D625 IonicContact NE-OD2 3.39Å; R599-D625 PolarHBondContact NE-OD2 3.49Å; R599-D625 IonicContact NH2-OD1 2.66Å; R599-D625 IonicContact NH2-OD2 3.73Å; R599-D625 PolarHBondContact NH2-OD2 2.88Å; F623-D625 PolarHBondContact O-N 3.12Å; D625-L648 PolarHBondContact O-N 3.47Å
626	Y	89.7	Confident	88.6	Confident	52 Å²	52	34.9 Å²	34.9	20%	0.204	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	141.6	176.7	-68.3	-86	0	0	0	112.7	F623 R645 I646 P647	F623-Y626 WeakPolarHBondContact CB-O 3.4Å; F623-Y626 PolarHBondContact N-O 3.17Å; Y626-R645 HydrophobicContact CD1-CB 3.98Å; Y626-R645 HydrophobicContact CD1-CG 4.11Å; Y626-R645 HydrophobicContact CE1-CG 4.26Å; Y626-I646 WeakPolarHBondContact CA-O 3.3Å; Y626-P647 HydrophobicContact CD1-CB 4.19Å; Y626-P647 HydrophobicContact CD1-CG 4.28Å; Y626-P647 HydrophobicContact CE1-CB 3.92Å; Y626-P647 HydrophobicContact CE1-CG 3.83Å
627	L	92.1	Very high	88.4	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	122.6	156.2	175.8	65.1	0	0	0	109.2	L620 L622 I629 I646 L648 M651 I667 W687 L691	L620-L627 HydrophobicContact CB-CD1 4.47Å; L622-L627 HydrophobicContact CB-CD1 4.11Å; L622-L627 HydrophobicContact CD1-CB 4.19Å; L622-L627 HydrophobicContact CD1-CD1 4.25Å; L627-I629 HydrophobicContact CD2-CD1 4.45Å; L627-I629 HydrophobicContact CD2-CG1 4.41Å; L627-I629 HydrophobicContact CG-CG1 4.35Å; L627-I646 PolarHBondContact N-O 2.63Å; L627-I646 PolarHBondContact O-N 2.96Å; L627-L648 HydrophobicContact CB-CD2 4.11Å; L627-M651 HydrophobicContact CB-SD 4.27Å; L627-M651 HydrophobicContact CD2-CE 3.77Å; L627-M651 HydrophobicContact CD2-SD 3.9Å; L627-I667 HydrophobicContact CD2-CD1 3.64Å; L627-W687 HydrophobicContact CD1-CZ3 3.95Å; L627-L691 HydrophobicContact CD2-CD2 4.43Å
628	W	92.5	Very high	88.2	Confident	16 Å²	16	31.1 Å²	31.1	6%	0.061	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	137.8	166.1	-85.1	99.5	0	0	0	111	F588 F592 L620 V621 F623 I640 R645	F588-W628 AromaticContact CE1-CD2 3.71Å; F588-W628 HydrophobicContact CE1-CD2 3.71Å; F588-W628 AromaticContact CE1-CE2 3.68Å; F588-W628 HydrophobicContact CE1-CE3 4.13Å; F588-W628 HydrophobicContact CE1-CG 4Å; F588-W628 HydrophobicContact CE1-CH2 4.48Å; F588-W628 HydrophobicContact CE1-CZ2 4.09Å; F588-W628 HydrophobicContact CE1-CZ3 4.5Å; F588-W628 AromaticContact CE1-NE1 3.94Å; F588-W628 HydrophobicContact CZ-CB 4.29Å; F588-W628 AromaticContact CZ-CD1 3.75Å; F588-W628 HydrophobicContact CZ-CD2 4.03Å; F588-W628 AromaticContact CZ-CG 3.8Å; F588-W628 HydrophobicContact CZ-CG 3.8Å; F588-W628 AromaticContact CZ-NE1 3.89Å; F592-W628 HydrophobicContact CB-CZ2 4.28Å; F592-W628 AromaticContact CD1-NE1 3.66Å; F592-W628 AromaticContact CD2-CE2 3.97Å; F592-W628 AromaticContact CD2-CZ2 3.65Å; F592-W628 HydrophobicContact CD2-CZ2 3.65Å; F592-W628 AromaticContact CD2-NE1 3.67Å; F592-W628 AromaticContact CE1-NE1 3.43Å; F592-W628 HydrophobicContact CE2-CZ2 4.12Å; F592-W628 AromaticContact CE2-NE1 3.43Å; F592-W628 AromaticContact CG-CZ2 3.93Å; F592-W628 HydrophobicContact CG-CZ2 3.93Å; F592-W628 AromaticContact CG-NE1 3.78Å; F592-W628 AromaticContact CZ-NE1 3.29Å; F592-W628 VanDerWaalsContact CZ-NE1 3.29Å; L620-W628 WeakPolarHBondContact CA-O 3.41Å; V621-W628 HydrophobicContact CB-CB 4.2Å; V621-W628 PolarHBondContact N-O 3.27Å; V621-W628 VanDerWaalsContact N-O 3.13Å; V621-W628 PolarHBondContact O-N 3.41Å; F623-W628 AromaticContact CE2-CD1 3.86Å; W628-I640 HydrophobicContact CH2-CG2 4.42Å; W628-R645 HydrophobicContact CD2-CB 3.78Å; W628-R645 HydrophobicContact CE3-CB 4.07Å; W628-R645 HydrophobicContact CG-CB 4.31Å; W628-R645 HydrophobicContact CH2-CB 4.24Å; W628-R645 HydrophobicContact CH2-CG 4.48Å; W628-R645 HydrophobicContact CZ2-CB 3.96Å; W628-R645 HydrophobicContact CZ2-CG 4.33Å; W628-R645 HydrophobicContact CZ3-CB 4.29Å
629	I	92.1	Very high	87.8	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	92.8	167.8	-49.1	-165.9	0	0	0	107.4	R618 L620 L627 S643 Y644 I646 I667 A674 I676	R618-I629 HydrophobicContact CB-CG2 4.29Å; R618-I629 HydrophobicContact CG-CG2 4.29Å; L620-I629 HydrophobicContact CD2-CB 4.12Å; L620-I629 HydrophobicContact CD2-CD1 4.28Å; L620-I629 HydrophobicContact CD2-CG1 3.78Å; L620-I629 HydrophobicContact CD2-CG2 3.93Å; L627-I629 HydrophobicContact CD2-CD1 4.45Å; L627-I629 HydrophobicContact CD2-CG1 4.41Å; L627-I629 HydrophobicContact CG-CG1 4.35Å; I629-S643 WeakPolarHBondContact O-CA 3.47Å; I629-Y644 HydrophobicContact CB-CD2 4.32Å; I629-Y644 HydrophobicContact CB-CE1 4.21Å; I629-Y644 HydrophobicContact CB-CE2 3.9Å; I629-Y644 HydrophobicContact CD1-CE2 3.79Å; I629-Y644 HydrophobicContact CG1-CE2 4.05Å; I629-Y644 HydrophobicContact CG2-CE1 4.26Å; I629-Y644 HydrophobicContact CG2-CE2 4.45Å; I629-Y644 PolarHBondContact N-O 2.91Å; I629-Y644 PolarHBondContact O-N 2.9Å; I629-Y644 VanDerWaalsContact O-N 3.16Å; I629-I646 HydrophobicContact CD1-CD1 4.15Å; I629-I667 HydrophobicContact CD1-CD1 4.31Å; I629-A674 HydrophobicContact CD1-CB 4.4Å; I629-I676 HydrophobicContact CD1-CD1 4.36Å; I629-I676 HydrophobicContact CG2-CD1 4.5Å
630	C	92.2	Very high	87.2	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	137.7	-171.6	-65.2	0	0	0	0	112.7	R618 Y619 F638 S643	R618-C630 WeakPolarHBondContact CA-O 3.46Å; R618-C630 WeakPolarHBondContact CD-O 3.01Å; Y619-C630 PolarHBondContact N-O 3.39Å; Y619-C630 WeakPolarHBondContact O-CB 3.49Å; Y619-C630 PolarHBondContact O-N 3.05Å; C630-F638 HydrophobicContact CB-CB 4.2Å; C630-F638 HydrophobicContact CB-CD1 3.56Å; C630-F638 HydrophobicContact CB-CD2 4.24Å; C630-F638 HydrophobicContact CB-CE1 3.92Å; C630-F638 HydrophobicContact CB-CG 3.75Å; C630-F638 HydrophobicContact CB-CZ 4.4Å; C630-S643 VanDerWaalsContact CA-OG 3.26Å; C630-S643 WeakPolarHBondContact CA-OG 3.5Å
631	R	90.6	Very high	86.4	Confident	86 Å²	86	38 Å²	38	33%	0.325	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	131.5	161.1	177.6	-179.8	179	101.3	5.3	107.9	F638 D639 R642 S643	R631-F638 CarbonylContact O-C 3.56Å; R631-F638 WeakPolarHBondContact O-CA 3.38Å; R631-D639 HydrophobicContact CB-CB 4.24Å; R631-D639 HydrophobicContact CG-CB 4.34Å; R631-D639 PolarHBondContact O-N 2.81Å; R631-R642 HydrophobicContact CB-CB 4.47Å; R631-S643 PolarHBondContact N-OG 3.09Å
632	V	87.9	Confident	85.9	Confident	46 Å²	46	45.7 Å²	45.7	28%	0.279	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	138.3	173.9	-163.9	0	0	0	0	109.2	G636 Q637 F638	V632-G636 WeakPolarHBondContact CG1-O 3.26Å; V632-Q637 CarbonylContact C-O 3.58Å; V632-Q637 WeakPolarHBondContact CA-O 3.31Å; V632-F638 HydrophobicContact CG2-CD1 4.29Å; V632-F638 HydrophobicContact CG2-CE1 4.29Å
633	S	84.9	Confident	85.7	Confident	41 Å²	41	46.1 Å²	46.1	29%	0.287	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-88	166.7	171.7	-66.8	0	0	0	0	110.8	S635 G636 Q637	S633-S635 PolarHBondContact O-N 2.95Å; S633-S635 VanDerWaalsContact O-N 3.12Å; S633-G636 PolarHBondContact O-N 3.36Å; S633-Q637 PolarHBondContact N-O 3.42Å
634	S	78	Confident	85.6	Confident	137 Å²	137	47 Å²	47	96%	0.958	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-26.8	176.1	43.6	0	0	0	0	113.8	G636	S634-G636 VanDerWaalsContact C-N 3.28Å; S634-G636 PolarHBondContact O-N 3Å
635	S	76.5	Confident	85.8	Confident	85 Å²	85	48.1 Å²	48.1	59%	0.594	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	13.9	174.8	53.9	0	0	0	0	114.9	S633 Q637	S633-S635 PolarHBondContact O-N 2.95Å; S633-S635 VanDerWaalsContact O-N 3.12Å; S635-Q637 PolarHBondContact O-N 3.49Å
636	G	79.8	Confident	86.1	Confident	32 Å²	32	47.5 Å²	47.5	33%	0.33	25%	0.253	S	S	.	.	S	Bend	trans	72.3	-10.1	-177.9	0	0	0	0	0	115.5	R587 V632 S633 S634	R587-G636 PolarHBondContact NE-O 3.49Å; V632-G636 WeakPolarHBondContact CG1-O 3.26Å; S633-G636 PolarHBondContact O-N 3.36Å; S634-G636 VanDerWaalsContact C-N 3.28Å; S634-G636 PolarHBondContact O-N 3Å
637	Q	84.8	Confident	86	Confident	50 Å²	50	46.7 Å²	46.7	23%	0.234	25%	0.254	C	S	.	.			trans	-69.9	155.7	177.1	-67.7	-65.5	-17.9	0	0	112.9	Y586 R587 Q589 V632 S633 S635	Y586-Q637 PolarHBondContact O-NE2 2.93Å; Y586-Q637 PolarHBondContact O-OE1 2.79Å; R587-Q637 VanDerWaalsContact CA-OE1 3.3Å; R587-Q637 PolarHBondContact O-OE1 3.34Å; Q589-Q637 HydrophobicContact CG-CB 4.37Å; Q589-Q637 HydrophobicContact CG-CG 4.49Å; Q589-Q637 VanDerWaalsContact CG-OE1 3.27Å; V632-Q637 CarbonylContact C-O 3.58Å; V632-Q637 WeakPolarHBondContact CA-O 3.31Å; S633-Q637 PolarHBondContact N-O 3.42Å; S635-Q637 PolarHBondContact O-N 3.49Å
638	F	88.1	Confident	85.8	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	124.7	173.2	-58.2	-37.6	0	0	0	111.6	L584 R587 F588 Y619 V621 C630 R631 V632 I640	L584-F638 HydrophobicContact CD2-CE2 4.06Å; L584-F638 HydrophobicContact CD2-CZ 4.25Å; R587-F638 HydrophobicContact CB-CD2 3.87Å; R587-F638 HydrophobicContact CB-CE1 4.34Å; R587-F638 HydrophobicContact CB-CE2 3.67Å; R587-F638 HydrophobicContact CB-CG 4.29Å; R587-F638 HydrophobicContact CB-CZ 3.92Å; R587-F638 VanDerWaalsContact O-CB 3.25Å; R587-F638 WeakPolarHBondContact O-CB 3.15Å; R587-F638 VanDerWaalsContact O-CD2 3.31Å; R587-F638 WeakPolarHBondContact O-CD2 3.49Å; R587-F638 WeakPolarHBondContact O-CG 3.33Å; R587-F638 PolarHBondContact O-N 2.84Å; F588-F638 AromaticContact CD1-CD2 3.71Å; F588-F638 HydrophobicContact CD1-CD2 3.71Å; F588-F638 HydrophobicContact CD1-CE2 4.37Å; F588-F638 HydrophobicContact CD2-CD2 4.12Å; F588-F638 HydrophobicContact CD2-CE2 4.03Å; F588-F638 AromaticContact CE1-CD2 3.77Å; F588-F638 HydrophobicContact CE1-CD2 3.77Å; F588-F638 HydrophobicContact CE1-CE2 4.2Å; F588-F638 HydrophobicContact CE2-CD2 4.17Å; F588-F638 AromaticContact CE2-CE2 3.85Å; F588-F638 HydrophobicContact CE2-CE2 3.85Å; F588-F638 AromaticContact CG-CD2 3.88Å; F588-F638 HydrophobicContact CG-CD2 3.88Å; F588-F638 HydrophobicContact CG-CE2 4.27Å; F588-F638 AromaticContact CZ-CD2 3.99Å; F588-F638 HydrophobicContact CZ-CD2 3.99Å; F588-F638 AromaticContact CZ-CE2 3.93Å; F588-F638 HydrophobicContact CZ-CE2 3.93Å; Y619-F638 AromaticContact CD1-CE1 3.78Å; Y619-F638 HydrophobicContact CD1-CE1 3.78Å; Y619-F638 AromaticContact CD1-CZ 3.53Å; Y619-F638 HydrophobicContact CD1-CZ 3.53Å; Y619-F638 HydrophobicContact CD2-CE1 4.49Å; Y619-F638 HydrophobicContact CE1-CZ 4.08Å; Y619-F638 AromaticContact CG-CE1 3.73Å; Y619-F638 HydrophobicContact CG-CE1 3.73Å; Y619-F638 AromaticContact CG-CZ 3.99Å; Y619-F638 HydrophobicContact CG-CZ 3.99Å; V621-F638 HydrophobicContact CG2-CE2 4.33Å; V621-F638 HydrophobicContact CG2-CZ 4.26Å; C630-F638 HydrophobicContact CB-CB 4.2Å; C630-F638 HydrophobicContact CB-CD1 3.56Å; C630-F638 HydrophobicContact CB-CD2 4.24Å; C630-F638 HydrophobicContact CB-CE1 3.92Å; C630-F638 HydrophobicContact CB-CG 3.75Å; C630-F638 HydrophobicContact CB-CZ 4.4Å; R631-F638 CarbonylContact O-C 3.56Å; R631-F638 WeakPolarHBondContact O-CA 3.38Å; V632-F638 HydrophobicContact CG2-CD1 4.29Å; V632-F638 HydrophobicContact CG2-CE1 4.29Å; F638-I640 HydrophobicContact CB-CD1 3.95Å; F638-I640 PolarHBondContact O-N 3.35Å
639	D	84.6	Confident	85.2	Confident	23 Å²	23	48.9 Å²	48.9	12%	0.123	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	87.8	169.4	175	-14.5	0	0	0	108.3	R631 N641 R642 S643	R631-D639 HydrophobicContact CB-CB 4.24Å; R631-D639 HydrophobicContact CG-CB 4.34Å; R631-D639 PolarHBondContact O-N 2.81Å; D639-N641 PolarHBondContact O-N 3.39Å; D639-N641 PolarHBondContact OD1-N 3.37Å; D639-R642 PolarHBondContact O-N 3.4Å; D639-R642 VanDerWaalsContact O-N 3.16Å; D639-R642 WeakPolarHBondContact OD1-CG 3.45Å; D639-R642 PolarHBondContact OD1-N 2.85Å; D639-R642 WeakPolarHBondContact OD2-CB 3.34Å; D639-R642 WeakPolarHBondContact OD2-CD 3.49Å; D639-R642 VanDerWaalsContact OD2-CG 3.23Å; D639-R642 WeakPolarHBondContact OD2-CG 3.14Å; D639-R642 IonicContact OD2-CZ 3.36Å; D639-R642 IonicContact OD2-NE 3.07Å; D639-R642 IonicContact OD2-NH1 2.82Å; D639-R642 PolarHBondContact OD2-NH1 3.14Å; D639-S643 WeakPolarHBondContact O-CB 3.42Å; D639-S643 PolarHBondContact O-N 3.09Å; D639-S643 PolarHBondContact O-OG 3.23Å
640	I	80.8	Confident	84.6	Confident	32 Å²	32	54.9 Å²	54.9	16%	0.164	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	-36	-173.8	-55.1	-54.4	0	0	0	111.9	F588 Q591 W628 F638 R642 S643	F588-I640 HydrophobicContact CD1-CD1 3.77Å; F588-I640 HydrophobicContact CE1-CD1 4.47Å; Q591-I640 HydrophobicContact CB-CG1 4.31Å; W628-I640 HydrophobicContact CH2-CG2 4.42Å; F638-I640 HydrophobicContact CB-CD1 3.95Å; F638-I640 PolarHBondContact O-N 3.35Å; I640-R642 PolarHBondContact O-N 2.74Å; I640-S643 PolarHBondContact O-N 3.17Å
641	N	78.9	Confident	84.3	Confident	140 Å²	140	55.1 Å²	55.1	75%	0.749	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	-31.3	-179	-67.8	-28.5	0	0	0	113.3	D639	D639-N641 PolarHBondContact O-N 3.39Å; D639-N641 PolarHBondContact OD1-N 3.37Å
642	R	82.7	Confident	84.3	Confident	163 Å²	163	58.6 Å²	58.6	62%	0.615	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	-11.3	175.9	-56.7	-169	-172.9	118.5	-9.7	113.8	R631 D639 I640	R631-R642 HydrophobicContact CB-CB 4.47Å; D639-R642 PolarHBondContact O-N 3.4Å; D639-R642 VanDerWaalsContact O-N 3.16Å; D639-R642 WeakPolarHBondContact OD1-CG 3.45Å; D639-R642 PolarHBondContact OD1-N 2.85Å; D639-R642 WeakPolarHBondContact OD2-CB 3.34Å; D639-R642 WeakPolarHBondContact OD2-CD 3.49Å; D639-R642 VanDerWaalsContact OD2-CG 3.23Å; D639-R642 WeakPolarHBondContact OD2-CG 3.14Å; D639-R642 IonicContact OD2-CZ 3.36Å; D639-R642 IonicContact OD2-NE 3.07Å; D639-R642 IonicContact OD2-NH1 2.82Å; D639-R642 PolarHBondContact OD2-NH1 3.14Å; I640-R642 PolarHBondContact O-N 2.74Å
643	S	87.8	Confident	84.4	Confident	9 Å²	9	58.6 Å²	58.6	6%	0.063	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	169.2	167.8	-59.5	0	0	0	0	111.4	I629 C630 R631 D639 I640	I629-S643 WeakPolarHBondContact O-CA 3.47Å; C630-S643 VanDerWaalsContact CA-OG 3.26Å; C630-S643 WeakPolarHBondContact CA-OG 3.5Å; R631-S643 PolarHBondContact N-OG 3.09Å; D639-S643 WeakPolarHBondContact O-CB 3.42Å; D639-S643 PolarHBondContact O-N 3.09Å; D639-S643 PolarHBondContact O-OG 3.23Å; I640-S643 PolarHBondContact O-N 3.17Å
644	Y	86.6	Confident	84.6	Confident	19 Å²	19	61.2 Å²	61.2	8%	0.075	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	138.7	174.1	48.9	-79	0	0	0	113.1	K609 I629 I646 K672	K609-Y644 WeakPolarHBondContact CE-OH 3.24Å; I629-Y644 HydrophobicContact CB-CD2 4.32Å; I629-Y644 HydrophobicContact CB-CE1 4.21Å; I629-Y644 HydrophobicContact CB-CE2 3.9Å; I629-Y644 HydrophobicContact CD1-CE2 3.79Å; I629-Y644 HydrophobicContact CG1-CE2 4.05Å; I629-Y644 HydrophobicContact CG2-CE1 4.26Å; I629-Y644 HydrophobicContact CG2-CE2 4.45Å; I629-Y644 PolarHBondContact N-O 2.91Å; I629-Y644 PolarHBondContact O-N 2.9Å; I629-Y644 VanDerWaalsContact O-N 3.16Å; Y644-I646 HydrophobicContact CD2-CD1 4.27Å; Y644-I646 HydrophobicContact CD2-CG1 4.16Å; Y644-I646 HydrophobicContact CE2-CD1 4.16Å; Y644-K672 HydrophobicContact CD1-CD 3.72Å; Y644-K672 VanDerWaalsContact CD1-NZ 3.3Å; Y644-K672 HydrophobicContact CD2-CB 3.96Å; Y644-K672 HydrophobicContact CD2-CD 3.84Å; Y644-K672 HydrophobicContact CD2-CG 4.29Å; Y644-K672 HydrophobicContact CE1-CD 3.7Å; Y644-K672 VanDerWaalsContact CE1-CE 3.49Å; Y644-K672 HydrophobicContact CE1-CG 4.5Å; Y644-K672 HydrophobicContact CE2-CB 3.85Å; Y644-K672 HydrophobicContact CE2-CD 3.8Å; Y644-K672 HydrophobicContact CE2-CG 3.93Å; Y644-K672 HydrophobicContact CG-CD 3.8Å
645	R	88.5	Confident	85	Confident	65 Å²	65	59.3 Å²	59.3	25%	0.245	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	133.8	172.8	65.3	-175.7	-179.7	178.3	1	111.5	D338 Y626 W628	D338-R645 PolarHBondContact O-NH1 2.7Å; D338-R645 PolarHBondContact O-NH2 2.83Å; Y626-R645 HydrophobicContact CD1-CB 3.98Å; Y626-R645 HydrophobicContact CD1-CG 4.11Å; Y626-R645 HydrophobicContact CE1-CG 4.26Å; W628-R645 HydrophobicContact CD2-CB 3.78Å; W628-R645 HydrophobicContact CE3-CB 4.07Å; W628-R645 HydrophobicContact CG-CB 4.31Å; W628-R645 HydrophobicContact CH2-CB 4.24Å; W628-R645 HydrophobicContact CH2-CG 4.48Å; W628-R645 HydrophobicContact CZ2-CB 3.96Å; W628-R645 HydrophobicContact CZ2-CG 4.33Å; W628-R645 HydrophobicContact CZ3-CB 4.29Å
646	I	88.7	Confident	85.3	Confident	1 Å²	1	57 Å²	57	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	117.5	176	-60.2	-179.9	0	0	0	108.1	Y626 L627 I629 Y644 L648 M651 I667	Y626-I646 WeakPolarHBondContact CA-O 3.3Å; L627-I646 PolarHBondContact N-O 2.63Å; L627-I646 PolarHBondContact O-N 2.96Å; I629-I646 HydrophobicContact CD1-CD1 4.15Å; Y644-I646 HydrophobicContact CD2-CD1 4.27Å; Y644-I646 HydrophobicContact CD2-CG1 4.16Å; Y644-I646 HydrophobicContact CE2-CD1 4.16Å; I646-L648 PolarHBondContact O-N 2.94Å; I646-M651 HydrophobicContact CG2-CB 3.79Å; I646-M651 HydrophobicContact CG2-CG 4.1Å; I646-M651 HydrophobicContact CG2-SD 3.99Å; I646-I667 HydrophobicContact CD1-CG2 3.87Å
647	P	87.8	Confident	85	Confident	35 Å²	35	64.3 Å²	64.3	23%	0.227	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	128.6	172.5	-6.3	17.8	0	0	0	109.9	Y626 E649 Y650 M651	Y626-P647 HydrophobicContact CD1-CB 4.19Å; Y626-P647 HydrophobicContact CD1-CG 4.28Å; Y626-P647 HydrophobicContact CE1-CB 3.92Å; Y626-P647 HydrophobicContact CE1-CG 3.83Å; P647-E649 PolarHBondContact O-N 3.23Å; P647-E649 VanDerWaalsContact O-N 3.09Å; P647-Y650 HydrophobicContact CB-CD2 4.41Å; P647-Y650 HydrophobicContact CG-CD2 4.36Å; P647-Y650 PolarHBondContact O-N 3.45Å; P647-Y650 VanDerWaalsContact O-N 3.14Å; P647-M651 PolarHBondContact O-N 2.96Å
648	L	87.2	Confident	84.5	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-61	-23.8	-176.6	-65.5	-175.5	0	0	0	113.4	L622 F623 D625 L627 I646 Y650 M651 L691 A694 Q695	L622-L648 HydrophobicContact CD1-CD1 4.11Å; L622-L648 HydrophobicContact CD1-CD2 3.93Å; F623-L648 WeakPolarHBondContact O-CD1 3.37Å; D625-L648 PolarHBondContact O-N 3.47Å; L627-L648 HydrophobicContact CB-CD2 4.11Å; I646-L648 PolarHBondContact O-N 2.94Å; L648-Y650 VanDerWaalsContact C-N 3.28Å; L648-Y650 PolarHBondContact O-N 3.3Å; L648-M651 HydrophobicContact CD2-SD 4.09Å; L648-L691 HydrophobicContact CD2-CD2 4.06Å; L648-A694 HydrophobicContact CD1-CB 3.65Å; L648-Q695 HydrophobicContact CB-CG 4.33Å; L648-Q695 PolarHBondContact O-NE2 3.18Å
649	E	80.3	Confident	83.4	Confident	63 Å²	63	73.6 Å²	73.6	29%	0.294	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-62	-29.9	177.6	-168.8	175.5	156.3	0	0	113.9	P647 K702	P647-E649 PolarHBondContact O-N 3.23Å; P647-E649 VanDerWaalsContact O-N 3.09Å; E649-K702 IonicContact OE1-NZ 3.41Å; E649-K702 PolarHBondContact OE1-NZ 3.4Å; E649-K702 WeakPolarHBondContact OE2-CE 3.41Å; E649-K702 IonicContact OE2-NZ 3.48Å; E649-K702 PolarHBondContact OE2-NZ 3.41Å
650	Y	79.6	Confident	82.6	Confident	125 Å²	125	80.8 Å²	80.8	49%	0.49	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-117.3	8.1	-176.4	-48.8	-48.2	0	0	0	113.3	P647 L648	P647-Y650 HydrophobicContact CB-CD2 4.41Å; P647-Y650 HydrophobicContact CG-CD2 4.36Å; P647-Y650 PolarHBondContact O-N 3.45Å; P647-Y650 VanDerWaalsContact O-N 3.14Å; L648-Y650 VanDerWaalsContact C-N 3.28Å; L648-Y650 PolarHBondContact O-N 3.3Å
651	M	87.2	Confident	82.5	Confident	6 Å²	6	84.3 Å²	84.3	3%	0.03	38%	0.381	C	S	.	.			trans	-83.3	140.2	175.4	-177.8	165.1	149.7	0	0	110.6	L627 I646 P647 L648 F653 I667 L691 Q695	L627-M651 HydrophobicContact CB-SD 4.27Å; L627-M651 HydrophobicContact CD2-CE 3.77Å; L627-M651 HydrophobicContact CD2-SD 3.9Å; I646-M651 HydrophobicContact CG2-CB 3.79Å; I646-M651 HydrophobicContact CG2-CG 4.1Å; I646-M651 HydrophobicContact CG2-SD 3.99Å; P647-M651 PolarHBondContact O-N 2.96Å; L648-M651 HydrophobicContact CD2-SD 4.09Å; M651-F653 HydrophobicContact CE-CB 4.11Å; M651-F653 HydrophobicContact CE-CD1 3.8Å; M651-F653 HydrophobicContact CE-CG 4.34Å; M651-I667 HydrophobicContact CE-CB 4.44Å; M651-I667 HydrophobicContact CE-CD1 3.98Å; M651-I667 HydrophobicContact CE-CG1 3.99Å; M651-I667 HydrophobicContact CE-CG2 3.75Å; M651-I667 HydrophobicContact CG-CG2 4.11Å; M651-I667 HydrophobicContact SD-CG2 3.93Å; M651-L691 HydrophobicContact CE-CD1 3.66Å; M651-L691 HydrophobicContact CE-CD2 3.64Å; M651-L691 HydrophobicContact CE-CG 4.25Å; M651-L691 HydrophobicContact SD-CD2 4.44Å; M651-Q695 PolarHBondContact O-NE2 3.29Å
652	K	89.1	Confident	82.7	Confident	159 Å²	159	80.3 Å²	80.3	69%	0.691	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117	153.3	157.4	-64	-171.6	176.2	-168	0	108.5	R668	K652-R668 HydrophobicContact CB-CB 4.38Å; K652-R668 PolarHBondContact N-O 3.27Å; K652-R668 PolarHBondContact O-N 2.89Å
653	F	91	Very high	82.9	Confident	46 Å²	46	78.1 Å²	78.1	20%	0.202	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	153.5	170.4	53.1	-91.9	0	0	0	109.2	M651 L665 Q666 I667 T688 L691 T692 Q695	M651-F653 HydrophobicContact CE-CB 4.11Å; M651-F653 HydrophobicContact CE-CD1 3.8Å; M651-F653 HydrophobicContact CE-CG 4.34Å; F653-L665 HydrophobicContact CB-CD1 4.22Å; F653-L665 HydrophobicContact CB-CD2 4.34Å; F653-L665 HydrophobicContact CB-CG 4.25Å; F653-L665 HydrophobicContact CD2-CD1 4.3Å; F653-Q666 CarbonylContact C-O 3.56Å; F653-Q666 VanDerWaalsContact CA-O 3.23Å; F653-Q666 WeakPolarHBondContact CA-O 3.37Å; F653-I667 HydrophobicContact CB-CG1 4.48Å; F653-T688 HydrophobicContact CD2-CG2 3.85Å; F653-T688 HydrophobicContact CE2-CG2 3.59Å; F653-L691 HydrophobicContact CD1-CB 4.1Å; F653-L691 HydrophobicContact CD1-CD1 4.37Å; F653-L691 HydrophobicContact CE1-CB 3.69Å; F653-L691 HydrophobicContact CE2-CB 4.45Å; F653-L691 HydrophobicContact CG-CD1 4.45Å; F653-L691 HydrophobicContact CZ-CB 3.89Å; F653-T692 WeakPolarHBondContact CZ-OG1 3.43Å; F653-Q695 HydrophobicContact CE1-CG 4.35Å
654	E	89	Confident	83	Confident	95 Å²	95	78 Å²	78	44%	0.444	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	120.5	-168.6	-168.3	163.4	-161.7	0	0	107	Q666 R668	E654-Q666 HydrophobicContact CB-CB 4.37Å; E654-Q666 PolarHBondContact N-O 3.24Å; E654-Q666 PolarHBondContact O-N 2.84Å; E654-R668 IonicContact OE2-NH1 3.39Å; E654-R668 PolarHBondContact OE2-NH1 2.87Å
655	R	87.1	Confident	83.3	Confident	97 Å²	97	77 Å²	77	37%	0.366	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	141.8	172.9	-73.4	-173.5	177.6	158.5	2.7	107.9	L665 T688 D689	R655-L665 HydrophobicContact CG-CD1 4.25Å; R655-T688 HydrophobicContact CG-CG2 4.07Å; R655-T688 PolarHBondContact NE-OG1 3.27Å; R655-D689 IonicContact NH2-OD1 2.71Å; R655-D689 PolarHBondContact NH2-OD1 3.32Å; R655-D689 IonicContact NH2-OD2 2.91Å
656	M	82.4	Confident	83.5	Confident	37 Å²	37	76.5 Å²	76.5	18%	0.182	35%	0.346	C	S	.	.			trans	-90.3	137.8	167.3	-52.3	-61.4	-60.3	0	0	108.8	R661 C664 Q666 L675 R684	M656-R661 HydrophobicContact CB-CB 3.89Å; M656-R661 WeakPolarHBondContact CB-O 3.31Å; M656-R661 HydrophobicContact CG-CB 4.28Å; M656-C664 HydrophobicContact CB-CB 4.35Å; M656-C664 HydrophobicContact CG-CB 3.81Å; M656-Q666 HydrophobicContact SD-CB 4.33Å; M656-L675 HydrophobicContact CG-CD1 4.19Å; M656-L675 HydrophobicContact SD-CD1 4.32Å; M656-R684 PolarHBondContact O-NH1 3.26Å
657	E	73.6	Confident	83.7	Confident	186 Å²	186	76.5 Å²	76.5	87%	0.869	35%	0.346	S	S	*	.			trans	-112.4	13.3	-176.5	-61.2	177.7	165.9	0	0	112.2
658	E	74	Confident	83.8	Confident	104 Å²	104	80.6 Å²	80.6	49%	0.486	36%	0.357	S	S	.	.	S	Bend	trans	-103.2	127.3	-176.2	-171.2	177.3	-127.4	0	0	107.6	E660 R661 I662	E658-E660 PolarHBondContact O-N 3.38Å; E658-R661 CarbonylContact O-C 3.25Å; E658-R661 VanDerWaalsContact O-C 3.25Å; E658-R661 VanDerWaalsContact O-CA 3.27Å; E658-R661 WeakPolarHBondContact O-CA 3.46Å; E658-R661 PolarHBondContact O-N 3.16Å; E658-R661 IonicContact OE1-NH1 3.84Å; E658-R661 VanDerWaalsContact OE2-CD 3.3Å; E658-R661 WeakPolarHBondContact OE2-CD 3.4Å; E658-R661 IonicContact OE2-CZ 2.62Å; E658-R661 IonicContact OE2-NE 3.33Å; E658-R661 IonicContact OE2-NH1 3.54Å; E658-R661 PolarHBondContact OE2-NH1 3.13Å; E658-I662 PolarHBondContact O-N 3.23Å
659	D	63.9	Low	83.7	Confident	140 Å²	140	81.3 Å²	81.3	75%	0.749	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-53.5	-49.8	-159.4	-63.4	-51.6	0	0	0	114.7	R661 I662	D659-R661 PolarHBondContact O-N 3.23Å; D659-I662 WeakPolarHBondContact O-CB 3.18Å; D659-I662 WeakPolarHBondContact O-CG2 3.44Å; D659-I662 PolarHBondContact O-N 2.71Å; D659-I662 VanDerWaalsContact O-N 3.12Å
660	E	69.6	Low	83.5	Confident	175 Å²	175	89 Å²	89	82%	0.818	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-57	-23.6	176.4	-61.2	-171.7	157	0	0	113.2	E658	E658-E660 PolarHBondContact O-N 3.38Å
661	R	77.4	Confident	83.3	Confident	105 Å²	105	87.9 Å²	87.9	40%	0.396	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-112.6	8.4	-175.1	-56.9	-172	-177.2	137.1	3.2	112.9	M656 E658 D659 R663 C664	M656-R661 HydrophobicContact CB-CB 3.89Å; M656-R661 WeakPolarHBondContact CB-O 3.31Å; M656-R661 HydrophobicContact CG-CB 4.28Å; E658-R661 CarbonylContact O-C 3.25Å; E658-R661 VanDerWaalsContact O-C 3.25Å; E658-R661 VanDerWaalsContact O-CA 3.27Å; E658-R661 WeakPolarHBondContact O-CA 3.46Å; E658-R661 PolarHBondContact O-N 3.16Å; E658-R661 IonicContact OE1-NH1 3.84Å; E658-R661 VanDerWaalsContact OE2-CD 3.3Å; E658-R661 WeakPolarHBondContact OE2-CD 3.4Å; E658-R661 IonicContact OE2-CZ 2.62Å; E658-R661 IonicContact OE2-NE 3.33Å; E658-R661 IonicContact OE2-NH1 3.54Å; E658-R661 PolarHBondContact OE2-NH1 3.13Å; D659-R661 PolarHBondContact O-N 3.23Å; R661-R663 PolarHBondContact O-N 2.98Å; R661-R663 VanDerWaalsContact O-N 3.08Å; R661-C664 HydrophobicContact CB-CB 4.3Å; R661-C664 WeakPolarHBondContact O-CA 3.19Å; R661-C664 WeakPolarHBondContact O-CB 3.03Å; R661-C664 PolarHBondContact O-N 2.71Å; R661-C664 PolarHBondContact O-SG 3.22Å
662	I	83.8	Confident	82.8	Confident	57 Å²	57	92 Å²	92	29%	0.292	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-28.6	-178.2	-152.9	-177.8	0	0	0	112.4	E658 D659 C664 E681 R684	E658-I662 PolarHBondContact O-N 3.23Å; D659-I662 WeakPolarHBondContact O-CB 3.18Å; D659-I662 WeakPolarHBondContact O-CG2 3.44Å; D659-I662 PolarHBondContact O-N 2.71Å; D659-I662 VanDerWaalsContact O-N 3.12Å; I662-C664 PolarHBondContact O-N 2.92Å; I662-E681 HydrophobicContact CD1-CG 4.2Å; I662-E681 HydrophobicContact CG1-CG 3.91Å; I662-E681 HydrophobicContact CG2-CG 4.27Å; I662-R684 PolarHBondContact O-NE 3.15Å; I662-R684 PolarHBondContact O-NH1 2.93Å; I662-R684 PolarHBondContact O-NH2 3.36Å
663	R	87.6	Confident	82.6	Confident	117 Å²	117	87.7 Å²	87.7	44%	0.442	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	4.1	173.6	-61.1	-176	-71.4	143.8	-1.2	114.7	R661 I677 F678 S679	R661-R663 PolarHBondContact O-N 2.98Å; R661-R663 VanDerWaalsContact O-N 3.08Å; R663-I677 HydrophobicContact CB-CG2 4.42Å; R663-F678 PolarHBondContact O-N 3.2Å; R663-S679 WeakPolarHBondContact CD-O 3.46Å; R663-S679 PolarHBondContact NH1-O 3.2Å
664	C	89.6	Confident	82.5	Confident	5 Å²	5	85.8 Å²	85.8	3%	0.034	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	149.2	-174.7	-57.6	0	0	0	0	113.5	M656 R661 I662 L675 I676	M656-C664 HydrophobicContact CB-CB 4.35Å; M656-C664 HydrophobicContact CG-CB 3.81Å; R661-C664 HydrophobicContact CB-CB 4.3Å; R661-C664 WeakPolarHBondContact O-CA 3.19Å; R661-C664 WeakPolarHBondContact O-CB 3.03Å; R661-C664 PolarHBondContact O-N 2.71Å; R661-C664 PolarHBondContact O-SG 3.22Å; I662-C664 PolarHBondContact O-N 2.92Å; C664-L675 HydrophobicContact CB-CD1 3.92Å; C664-L675 HydrophobicContact CB-CG 4.3Å; C664-I676 CarbonylContact C-O 3.58Å; C664-I676 WeakPolarHBondContact CA-O 3.41Å
665	L	92.9	Very high	82.7	Confident	0 Å²	0	83.1 Å²	83.1	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	121.6	169.4	-172.4	73.1	0	0	0	108.9	F653 R655 I667 I676 F678 T688 L691	F653-L665 HydrophobicContact CB-CD1 4.22Å; F653-L665 HydrophobicContact CB-CD2 4.34Å; F653-L665 HydrophobicContact CB-CG 4.25Å; F653-L665 HydrophobicContact CD2-CD1 4.3Å; R655-L665 HydrophobicContact CG-CD1 4.25Å; L665-I667 HydrophobicContact CD2-CD1 4.44Å; L665-I667 HydrophobicContact CD2-CG1 4.24Å; L665-I667 HydrophobicContact CG-CG1 4.41Å; L665-I676 PolarHBondContact N-O 2.86Å; L665-I676 PolarHBondContact O-N 2.91Å; L665-F678 HydrophobicContact CB-CE2 3.72Å; L665-F678 HydrophobicContact CD2-CE2 4.21Å; L665-F678 HydrophobicContact CD2-CZ 4.46Å; L665-T688 HydrophobicContact CD1-CG2 4.41Å; L665-L691 HydrophobicContact CD2-CD1 3.82Å
666	Q	92.1	Very high	83	Confident	53 Å²	53	78.5 Å²	78.5	25%	0.248	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	111.4	174.7	-168.3	-175.9	121.5	0	0	109.8	F653 E654 M656 R668 L675	F653-Q666 CarbonylContact C-O 3.56Å; F653-Q666 VanDerWaalsContact CA-O 3.23Å; F653-Q666 WeakPolarHBondContact CA-O 3.37Å; E654-Q666 HydrophobicContact CB-CB 4.37Å; E654-Q666 PolarHBondContact N-O 3.24Å; E654-Q666 PolarHBondContact O-N 2.84Å; M656-Q666 HydrophobicContact SD-CB 4.33Å; Q666-R668 HydrophobicContact CG-CG 4.09Å; Q666-L675 HydrophobicContact CB-CD1 3.89Å; Q666-L675 HydrophobicContact CG-CD1 4.38Å
667	I	92.6	Very high	83.5	Confident	1 Å²	1	78 Å²	78	1%	0.005	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	126.5	175.4	-60.9	179.2	0	0	0	109.1	L627 I629 I646 M651 F653 L665 S673 A674 I676	L627-I667 HydrophobicContact CD2-CD1 3.64Å; I629-I667 HydrophobicContact CD1-CD1 4.31Å; I646-I667 HydrophobicContact CD1-CG2 3.87Å; M651-I667 HydrophobicContact CE-CB 4.44Å; M651-I667 HydrophobicContact CE-CD1 3.98Å; M651-I667 HydrophobicContact CE-CG1 3.99Å; M651-I667 HydrophobicContact CE-CG2 3.75Å; M651-I667 HydrophobicContact CG-CG2 4.11Å; M651-I667 HydrophobicContact SD-CG2 3.93Å; F653-I667 HydrophobicContact CB-CG1 4.48Å; L665-I667 HydrophobicContact CD2-CD1 4.44Å; L665-I667 HydrophobicContact CD2-CG1 4.24Å; L665-I667 HydrophobicContact CG-CG1 4.41Å; I667-S673 CarbonylContact O-C 3.54Å; I667-S673 VanDerWaalsContact O-CA 3.26Å; I667-S673 WeakPolarHBondContact O-CA 3.37Å; I667-S673 WeakPolarHBondContact O-CB 3.43Å; I667-A674 PolarHBondContact N-O 3.04Å; I667-A674 PolarHBondContact O-N 2.81Å; I667-I676 HydrophobicContact CD1-CG1 3.88Å; I667-I676 HydrophobicContact CG1-CG1 4.45Å
668	R	89.6	Confident	84.4	Confident	121 Å²	121	69.4 Å²	69.4	46%	0.457	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	123.6	-176.2	-52.1	176.5	83.2	150.8	5.2	110	K652 E654 Q666 S673	K652-R668 HydrophobicContact CB-CB 4.38Å; K652-R668 PolarHBondContact N-O 3.27Å; K652-R668 PolarHBondContact O-N 2.89Å; E654-R668 IonicContact OE2-NH1 3.39Å; E654-R668 PolarHBondContact OE2-NH1 2.87Å; Q666-R668 HydrophobicContact CG-CG 4.09Å; R668-S673 WeakPolarHBondContact CA-OG 3.49Å
669	S	85.9	Confident	85.3	Confident	15 Å²	15	68.3 Å²	68.3	11%	0.105	33%	0.327	C	S	.	.			trans	-142.8	156.9	175.5	168.8	0	0	0	0	110.3	V671 K672	S669-V671 PolarHBondContact O-N 2.63Å; S669-V671 PolarHBondContact OG-N 2.88Å; S669-K672 WeakPolarHBondContact CB-O 3.19Å; S669-K672 PolarHBondContact N-O 2.92Å; S669-K672 PolarHBondContact O-N 2.82Å
670	R	76.6	Confident	86.6	Confident	225 Å²	225	64 Å²	64	85%	0.849	31%	0.308	S	S	*	.	S	Bend	trans	-59	-26.5	173.7	-66.1	-178	178.2	173.4	-0.6	113.1
671	V	73.5	Confident	87.6	Confident	102 Å²	102	58.8 Å²	58.8	62%	0.618	28%	0.284	S	S	*	.	S	Bend	trans	-82.8	-45.5	179.6	-177.5	0	0	0	0	111.2	S669	S669-V671 PolarHBondContact O-N 2.63Å; S669-V671 PolarHBondContact OG-N 2.88Å
672	K	78.4	Confident	88.2	Confident	91 Å²	91	61.1 Å²	61.1	40%	0.396	30%	0.296	S	S	.	.			trans	-163.7	146	-174	-150.5	150.8	172.3	-178.1	0	109.4	Y644 S669	Y644-K672 HydrophobicContact CD1-CD 3.72Å; Y644-K672 VanDerWaalsContact CD1-NZ 3.3Å; Y644-K672 HydrophobicContact CD2-CB 3.96Å; Y644-K672 HydrophobicContact CD2-CD 3.84Å; Y644-K672 HydrophobicContact CD2-CG 4.29Å; Y644-K672 HydrophobicContact CE1-CD 3.7Å; Y644-K672 VanDerWaalsContact CE1-CE 3.49Å; Y644-K672 HydrophobicContact CE1-CG 4.5Å; Y644-K672 HydrophobicContact CE2-CB 3.85Å; Y644-K672 HydrophobicContact CE2-CD 3.8Å; Y644-K672 HydrophobicContact CE2-CG 3.93Å; Y644-K672 HydrophobicContact CG-CD 3.8Å; S669-K672 WeakPolarHBondContact CB-O 3.19Å; S669-K672 PolarHBondContact N-O 2.92Å; S669-K672 PolarHBondContact O-N 2.82Å
673	S	85.1	Confident	88.6	Confident	70 Å²	70	59.6 Å²	59.6	49%	0.49	29%	0.288	S	S	.	.			trans	-117.9	148	170.5	-61.1	0	0	0	0	109.8	I667 R668	I667-S673 CarbonylContact O-C 3.54Å; I667-S673 VanDerWaalsContact O-CA 3.26Å; I667-S673 WeakPolarHBondContact O-CA 3.37Å; I667-S673 WeakPolarHBondContact O-CB 3.43Å; R668-S673 WeakPolarHBondContact CA-OG 3.49Å
674	A	88.8	Confident	88.9	Confident	5 Å²	5	54.6 Å²	54.6	4%	0.041	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	132.1	-173.5	0	0	0	0	0	110.4	K609 I629 I667 I676	K609-A674 HydrophobicContact CD-CB 4.38Å; K609-A674 HydrophobicContact CG-CB 4.44Å; I629-A674 HydrophobicContact CD1-CB 4.4Å; I667-A674 PolarHBondContact N-O 3.04Å; I667-A674 PolarHBondContact O-N 2.81Å; A674-I676 HydrophobicContact CB-CD1 4.21Å
675	L	91.9	Very high	89	Confident	39 Å²	39	56.2 Å²	56.2	20%	0.204	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	120.6	160.8	-172.7	73.6	0	0	0	107.2	Q610 M656 C664 Q666	Q610-L675 HydrophobicContact CB-CB 4.1Å; Q610-L675 HydrophobicContact CB-CD2 4.22Å; Q610-L675 HydrophobicContact CG-CD2 4.49Å; Q610-L675 PolarHBondContact N-O 3.05Å; Q610-L675 VanDerWaalsContact N-O 3.08Å; M656-L675 HydrophobicContact CG-CD1 4.19Å; M656-L675 HydrophobicContact SD-CD1 4.32Å; C664-L675 HydrophobicContact CB-CD1 3.92Å; C664-L675 HydrophobicContact CB-CG 4.3Å; Q666-L675 HydrophobicContact CB-CD1 3.89Å; Q666-L675 HydrophobicContact CG-CD1 4.38Å
676	I	93.8	Very high	89	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	139.7	174.3	-57.1	-58.4	0	0	0	108.1	V607 K609 L620 I629 C664 L665 I667 A674 F678	V607-I676 HydrophobicContact CB-CG2 3.68Å; V607-I676 HydrophobicContact CG1-CG2 4.05Å; V607-I676 HydrophobicContact CG2-CD1 4.37Å; V607-I676 HydrophobicContact CG2-CG2 3.63Å; K609-I676 HydrophobicContact CB-CD1 4.12Å; K609-I676 HydrophobicContact CG-CD1 3.98Å; L620-I676 HydrophobicContact CD1-CG2 4.32Å; I629-I676 HydrophobicContact CD1-CD1 4.36Å; I629-I676 HydrophobicContact CG2-CD1 4.5Å; C664-I676 CarbonylContact C-O 3.58Å; C664-I676 WeakPolarHBondContact CA-O 3.41Å; L665-I676 PolarHBondContact N-O 2.86Å; L665-I676 PolarHBondContact O-N 2.91Å; I667-I676 HydrophobicContact CD1-CG1 3.88Å; I667-I676 HydrophobicContact CG1-CG1 4.45Å; A674-I676 HydrophobicContact CB-CD1 4.21Å; I676-F678 HydrophobicContact CB-CE2 4.39Å; I676-F678 HydrophobicContact CB-CZ 4.48Å; I676-F678 HydrophobicContact CG2-CD1 4.46Å; I676-F678 HydrophobicContact CG2-CD2 4.33Å; I676-F678 HydrophobicContact CG2-CE1 4.02Å; I676-F678 HydrophobicContact CG2-CE2 3.89Å; I676-F678 HydrophobicContact CG2-CZ 3.73Å
677	I	92.6	Very high	89.1	Confident	28 Å²	28	57.3 Å²	57.3	14%	0.144	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	122.2	176.3	-42.7	-171.4	0	0	0	107	M608 L615 R663	M608-I677 HydrophobicContact CB-CB 4.36Å; M608-I677 PolarHBondContact N-O 3.26Å; M608-I677 PolarHBondContact O-N 2.84Å; L615-I677 HydrophobicContact CD2-CD1 3.55Å; R663-I677 HydrophobicContact CB-CG2 4.42Å
678	F	93.6	Very high	89.1	Confident	5 Å²	5	57.7 Å²	57.7	2%	0.022	29%	0.285	C	S	.	.			trans	-92.5	167.6	-179.3	-67.1	-77.7	0	0	0	111.7	V607 L620 R663 L665 I676 S680 E683 R684 W687	V607-F678 HydrophobicContact CG1-CD1 3.59Å; V607-F678 HydrophobicContact CG1-CE1 3.53Å; L620-F678 HydrophobicContact CD1-CE1 3.96Å; L620-F678 HydrophobicContact CD1-CZ 4.11Å; R663-F678 PolarHBondContact O-N 3.2Å; L665-F678 HydrophobicContact CB-CE2 3.72Å; L665-F678 HydrophobicContact CD2-CE2 4.21Å; L665-F678 HydrophobicContact CD2-CZ 4.46Å; I676-F678 HydrophobicContact CB-CE2 4.39Å; I676-F678 HydrophobicContact CB-CZ 4.48Å; I676-F678 HydrophobicContact CG2-CD1 4.46Å; I676-F678 HydrophobicContact CG2-CD2 4.33Å; I676-F678 HydrophobicContact CG2-CE1 4.02Å; I676-F678 HydrophobicContact CG2-CE2 3.89Å; I676-F678 HydrophobicContact CG2-CZ 3.73Å; F678-S680 VanDerWaalsContact C-N 3.32Å; F678-S680 PolarHBondContact O-N 3.09Å; F678-E683 HydrophobicContact CB-CB 4.2Å; F678-E683 HydrophobicContact CD1-CG 4.31Å; F678-E683 WeakPolarHBondContact CD1-OE1 3.42Å; F678-R684 HydrophobicContact CB-CB 4.31Å; F678-R684 HydrophobicContact CD2-CB 3.71Å; F678-R684 HydrophobicContact CD2-CG 3.93Å; F678-R684 HydrophobicContact CE2-CB 4.44Å; F678-R684 HydrophobicContact CE2-CG 4.39Å; F678-R684 HydrophobicContact CG-CB 4.28Å; F678-W687 AromaticContact CD1-CD1 3.66Å; F678-W687 HydrophobicContact CD1-CG 4.32Å; F678-W687 AromaticContact CD1-NE1 3.94Å; F678-W687 HydrophobicContact CE1-CB 4.08Å; F678-W687 AromaticContact CE1-CD1 3.18Å; F678-W687 AromaticContact CE1-CD2 3.86Å; F678-W687 HydrophobicContact CE1-CD2 3.86Å; F678-W687 AromaticContact CE1-CE2 3.89Å; F678-W687 AromaticContact CE1-CG 3.47Å; F678-W687 HydrophobicContact CE1-CG 3.47Å; F678-W687 VanDerWaalsContact CE1-CG 3.47Å; F678-W687 AromaticContact CE1-NE1 3.43Å; F678-W687 HydrophobicContact CE2-CB 4.33Å; F678-W687 HydrophobicContact CZ-CB 3.74Å; F678-W687 AromaticContact CZ-CD1 3.79Å; F678-W687 HydrophobicContact CZ-CD2 4.09Å; F678-W687 AromaticContact CZ-CG 3.61Å; F678-W687 HydrophobicContact CZ-CG 3.61Å
679	S	91.3	Very high	89.3	Confident	81 Å²	81	56 Å²	56	57%	0.566	29%	0.285	S	S	*	.	S	Bend	trans	-56.6	-49.3	175.8	59.7	0	0	0	0	111	R663 E683	R663-S679 WeakPolarHBondContact CD-O 3.46Å; R663-S679 PolarHBondContact NH1-O 3.2Å; S679-E683 WeakPolarHBondContact CB-OE2 3.33Å; S679-E683 PolarHBondContact N-OE2 3.25Å; S679-E683 PolarHBondContact OG-OE2 2.75Å
680	S	91.2	Very high	89.6	Confident	48 Å²	48	56.8 Å²	56.8	34%	0.336	29%	0.288	S	S	.	.	S	Bend	trans	-138.5	163.5	-173.4	63.8	0	0	0	0	111.5	F678 K682 E683 R684	F678-S680 VanDerWaalsContact C-N 3.32Å; F678-S680 PolarHBondContact O-N 3.09Å; S680-K682 VanDerWaalsContact C-N 3.31Å; S680-E683 PolarHBondContact O-N 3.5Å; S680-E683 PolarHBondContact OG-N 3.07Å; S680-R684 PolarHBondContact O-N 2.84Å; S680-R684 VanDerWaalsContact O-N 3.15Å
681	E	90.8	Very high	90.4	Very high	67 Å²	67	46 Å²	46	31%	0.313	25%	0.248	S	C	.	.	H	α-helix	trans	-69	-32.5	175.8	-156	-135.1	140.1	0	0	112.1	I662 E683 R684 N685	I662-E681 HydrophobicContact CD1-CG 4.2Å; I662-E681 HydrophobicContact CG1-CG 3.91Å; I662-E681 HydrophobicContact CG2-CG 4.27Å; E681-E683 VanDerWaalsContact C-N 3.29Å; E681-E683 PolarHBondContact O-N 3.44Å; E681-R684 WeakPolarHBondContact O-CB 3.44Å; E681-R684 PolarHBondContact O-N 3.14Å; E681-R684 IonicContact OE1-CZ 2.71Å; E681-R684 IonicContact OE1-NE 3.9Å; E681-R684 IonicContact OE1-NH2 3.95Å; E681-R684 PolarHBondContact OE1-NH2 2.82Å; E681-N685 WeakPolarHBondContact O-CB 3.41Å; E681-N685 VanDerWaalsContact O-CG 3.28Å; E681-N685 PolarHBondContact O-N 3.07Å; E681-N685 PolarHBondContact O-ND2 3.04Å; E681-N685 PolarHBondContact OE1-ND2 3.05Å; E681-N685 PolarHBondContact OE1-OD1 2.89Å
682	K	90.9	Very high	91.3	Very high	153 Å²	153	44.6 Å²	44.6	67%	0.665	24%	0.239	S	C	*	.	H	α-helix	trans	-58.3	-42.1	173.3	-171.6	174.6	-177.5	175.9	0	111.4	S680 N685 Q686	S680-K682 VanDerWaalsContact C-N 3.31Å; K682-N685 PolarHBondContact O-N 3.14Å; K682-Q686 WeakPolarHBondContact O-CG 3.49Å; K682-Q686 PolarHBondContact O-N 2.95Å; K682-Q686 VanDerWaalsContact O-N 3.13Å
683	E	92.4	Very high	91.8	Very high	25 Å²	25	46.9 Å²	46.9	12%	0.117	25%	0.249	C	C	.	.	H	α-helix	trans	-65.7	-46.3	174.2	-154.4	-151.8	153.9	0	0	111.2	S605 F678 S679 S680 E681 N685 Q686 W687	S605-E683 VanDerWaalsContact CB-OE1 3.29Å; S605-E683 WeakPolarHBondContact CB-OE1 3.24Å; S605-E683 PolarHBondContact OG-OE1 2.84Å; F678-E683 HydrophobicContact CB-CB 4.2Å; F678-E683 HydrophobicContact CD1-CG 4.31Å; F678-E683 WeakPolarHBondContact CD1-OE1 3.42Å; S679-E683 WeakPolarHBondContact CB-OE2 3.33Å; S679-E683 PolarHBondContact N-OE2 3.25Å; S679-E683 PolarHBondContact OG-OE2 2.75Å; S680-E683 PolarHBondContact O-N 3.5Å; S680-E683 PolarHBondContact OG-N 3.07Å; E681-E683 VanDerWaalsContact C-N 3.29Å; E681-E683 PolarHBondContact O-N 3.44Å; E683-N685 VanDerWaalsContact C-N 3.29Å; E683-N685 PolarHBondContact O-N 2.69Å; E683-Q686 PolarHBondContact O-N 2.95Å; E683-W687 VanDerWaalsContact O-CD1 3.3Å; E683-W687 PolarHBondContact O-N 3.45Å; E683-W687 PolarHBondContact OE1-NE1 3.12Å
684	R	92.6	Very high	92	Very high	12 Å²	12	43.7 Å²	43.7	5%	0.045	23%	0.227	C	C	.	.	H	α-helix	trans	-53.3	-44.9	174.8	-175.5	-78.6	-62.6	-107.4	11.8	111.9	M656 I662 F678 S680 E681 T688	M656-R684 PolarHBondContact O-NH1 3.26Å; I662-R684 PolarHBondContact O-NE 3.15Å; I662-R684 PolarHBondContact O-NH1 2.93Å; I662-R684 PolarHBondContact O-NH2 3.36Å; F678-R684 HydrophobicContact CB-CB 4.31Å; F678-R684 HydrophobicContact CD2-CB 3.71Å; F678-R684 HydrophobicContact CD2-CG 3.93Å; F678-R684 HydrophobicContact CE2-CB 4.44Å; F678-R684 HydrophobicContact CE2-CG 4.39Å; F678-R684 HydrophobicContact CG-CB 4.28Å; S680-R684 PolarHBondContact O-N 2.84Å; S680-R684 VanDerWaalsContact O-N 3.15Å; E681-R684 WeakPolarHBondContact O-CB 3.44Å; E681-R684 PolarHBondContact O-N 3.14Å; E681-R684 IonicContact OE1-CZ 2.71Å; E681-R684 IonicContact OE1-NE 3.9Å; E681-R684 IonicContact OE1-NH2 3.95Å; E681-R684 PolarHBondContact OE1-NH2 2.82Å; R684-T688 PolarHBondContact O-N 3.49Å; R684-T688 VanDerWaalsContact O-N 3.09Å; R684-T688 PolarHBondContact O-OG1 2.85Å
685	N	92.3	Very high	92	Very high	39 Å²	39	44.3 Å²	44.3	21%	0.209	23%	0.229	C	C	.	.	H	α-helix	trans	-65.8	-53.9	-178.9	-70	-18.5	0	0	0	110.7	E681 K682 E683 W687 T688 D689	E681-N685 WeakPolarHBondContact O-CB 3.41Å; E681-N685 VanDerWaalsContact O-CG 3.28Å; E681-N685 PolarHBondContact O-N 3.07Å; E681-N685 PolarHBondContact O-ND2 3.04Å; E681-N685 PolarHBondContact OE1-ND2 3.05Å; E681-N685 PolarHBondContact OE1-OD1 2.89Å; K682-N685 PolarHBondContact O-N 3.14Å; E683-N685 VanDerWaalsContact C-N 3.29Å; E683-N685 PolarHBondContact O-N 2.69Å; N685-W687 VanDerWaalsContact C-N 3.33Å; N685-W687 PolarHBondContact O-N 2.84Å; N685-T688 WeakPolarHBondContact O-CA 3.46Å; N685-T688 VanDerWaalsContact O-CB 3.26Å; N685-T688 WeakPolarHBondContact O-CB 3.42Å; N685-T688 PolarHBondContact O-N 3.32Å; N685-D689 PolarHBondContact O-N 3.46Å; N685-D689 VanDerWaalsContact O-OD2 3.09Å
686	Q	93.4	Very high	91.7	Very high	75 Å²	75	49.6 Å²	49.6	35%	0.35	25%	0.247	S	C	.	.	H	α-helix	trans	-53.4	-45.3	176.2	-71.5	179	8.2	0	0	113.1	K682 E683 T688 D689 D690	K682-Q686 WeakPolarHBondContact O-CG 3.49Å; K682-Q686 PolarHBondContact O-N 2.95Å; K682-Q686 VanDerWaalsContact O-N 3.13Å; E683-Q686 PolarHBondContact O-N 2.95Å; Q686-T688 VanDerWaalsContact C-N 3.29Å; Q686-T688 PolarHBondContact O-N 3.03Å; Q686-D689 PolarHBondContact O-N 2.85Å; Q686-D690 PolarHBondContact O-N 3.35Å
687	W	94.5	Very high	91	Very high	1 Å²	1	53.8 Å²	53.8	0%	0.004	27%	0.27	C	S	.	.	H	α-helix	trans	-60.6	-36.6	174.5	-90.2	100.6	0	0	0	113	R603 S605 L620 L622 L627 F678 E683 N685 L691	R603-W687 HydrophobicContact CB-CH2 4.14Å; R603-W687 HydrophobicContact CB-CZ2 4.21Å; R603-W687 HydrophobicContact CG-CD2 4.45Å; R603-W687 HydrophobicContact CG-CH2 4.12Å; R603-W687 HydrophobicContact CG-CZ2 3.66Å; S605-W687 WeakPolarHBondContact OG-CZ2 3.29Å; S605-W687 PolarHBondContact OG-NE1 3.25Å; L620-W687 HydrophobicContact CB-CH2 3.3Å; L620-W687 HydrophobicContact CB-CZ2 3.71Å; L620-W687 HydrophobicContact CB-CZ3 3.96Å; L620-W687 HydrophobicContact CD1-CD2 4.26Å; L620-W687 HydrophobicContact CD1-CE3 4.06Å; L620-W687 HydrophobicContact CD1-CH2 3.83Å; L620-W687 HydrophobicContact CD1-CZ2 3.99Å; L620-W687 HydrophobicContact CD1-CZ3 3.81Å; L620-W687 HydrophobicContact CG-CH2 4.22Å; L620-W687 HydrophobicContact CG-CZ2 4.46Å; L622-W687 HydrophobicContact CB-CH2 4.2Å; L622-W687 HydrophobicContact CB-CZ3 3.77Å; L622-W687 HydrophobicContact CD2-CZ3 4.35Å; L627-W687 HydrophobicContact CD1-CZ3 3.95Å; F678-W687 AromaticContact CD1-CD1 3.66Å; F678-W687 HydrophobicContact CD1-CG 4.32Å; F678-W687 AromaticContact CD1-NE1 3.94Å; F678-W687 HydrophobicContact CE1-CB 4.08Å; F678-W687 AromaticContact CE1-CD1 3.18Å; F678-W687 AromaticContact CE1-CD2 3.86Å; F678-W687 HydrophobicContact CE1-CD2 3.86Å; F678-W687 AromaticContact CE1-CE2 3.89Å; F678-W687 AromaticContact CE1-CG 3.47Å; F678-W687 HydrophobicContact CE1-CG 3.47Å; F678-W687 VanDerWaalsContact CE1-CG 3.47Å; F678-W687 AromaticContact CE1-NE1 3.43Å; F678-W687 HydrophobicContact CE2-CB 4.33Å; F678-W687 HydrophobicContact CZ-CB 3.74Å; F678-W687 AromaticContact CZ-CD1 3.79Å; F678-W687 HydrophobicContact CZ-CD2 4.09Å; F678-W687 AromaticContact CZ-CG 3.61Å; F678-W687 HydrophobicContact CZ-CG 3.61Å; E683-W687 VanDerWaalsContact O-CD1 3.3Å; E683-W687 PolarHBondContact O-N 3.45Å; E683-W687 PolarHBondContact OE1-NE1 3.12Å; N685-W687 VanDerWaalsContact C-N 3.33Å; N685-W687 PolarHBondContact O-N 2.84Å; W687-L691 VanDerWaalsContact O-CB 3.26Å; W687-L691 WeakPolarHBondContact O-CB 3.43Å; W687-L691 WeakPolarHBondContact O-CD1 3.45Å; W687-L691 WeakPolarHBondContact O-CG 3.35Å; W687-L691 PolarHBondContact O-N 2.88Å; W687-L691 VanDerWaalsContact O-N 3.11Å
688	T	92.2	Very high	90.5	Very high	9 Å²	9	55.8 Å²	55.8	6%	0.055	28%	0.276	C	S	.	.	H	α-helix	trans	-67.7	-40.5	176.4	-47	0	0	0	0	111.2	F653 R655 L665 R684 N685 Q686 L691 T692	F653-T688 HydrophobicContact CD2-CG2 3.85Å; F653-T688 HydrophobicContact CE2-CG2 3.59Å; R655-T688 HydrophobicContact CG-CG2 4.07Å; R655-T688 PolarHBondContact NE-OG1 3.27Å; L665-T688 HydrophobicContact CD1-CG2 4.41Å; R684-T688 PolarHBondContact O-N 3.49Å; R684-T688 VanDerWaalsContact O-N 3.09Å; R684-T688 PolarHBondContact O-OG1 2.85Å; N685-T688 WeakPolarHBondContact O-CA 3.46Å; N685-T688 VanDerWaalsContact O-CB 3.26Å; N685-T688 WeakPolarHBondContact O-CB 3.42Å; N685-T688 PolarHBondContact O-N 3.32Å; Q686-T688 VanDerWaalsContact C-N 3.29Å; Q686-T688 PolarHBondContact O-N 3.03Å; T688-L691 PolarHBondContact O-N 3.46Å; T688-T692 WeakPolarHBondContact O-CB 3.18Å; T688-T692 PolarHBondContact O-N 3.39Å; T688-T692 PolarHBondContact O-OG1 3.4Å
689	D	93.3	Very high	89.8	Confident	86 Å²	86	60 Å²	60	46%	0.46	29%	0.294	S	S	.	.	H	α-helix	trans	-72.5	-43.1	-174.3	-55.3	-30.7	0	0	0	110.5	R655 N685 Q686 T692 K693	R655-D689 IonicContact NH2-OD1 2.71Å; R655-D689 PolarHBondContact NH2-OD1 3.32Å; R655-D689 IonicContact NH2-OD2 2.91Å; N685-D689 PolarHBondContact O-N 3.46Å; N685-D689 VanDerWaalsContact O-OD2 3.09Å; Q686-D689 PolarHBondContact O-N 2.85Å; D689-T692 WeakPolarHBondContact O-CB 3.46Å; D689-T692 PolarHBondContact O-N 3Å; D689-T692 VanDerWaalsContact O-N 3.17Å; D689-K693 WeakPolarHBondContact O-CB 3.41Å; D689-K693 PolarHBondContact O-N 3.49Å
690	D	93.3	Very high	88.9	Confident	31 Å²	31	57.4 Å²	57.4	17%	0.166	28%	0.275	C	S	.	.	H	α-helix	trans	-62.4	-42.2	172.2	-77.9	-29	0	0	0	112.4	I602 R603 L622 Q686 T692 K693 A694	I602-D690 HydrophobicContact CG2-CB 3.98Å; R603-D690 IonicContact CZ-OD2 3.96Å; R603-D690 IonicContact NE-OD2 3.9Å; R603-D690 PolarHBondContact NE-OD2 3.2Å; R603-D690 IonicContact NH2-OD2 2.73Å; R603-D690 PolarHBondContact NH2-OD2 3.36Å; L622-D690 HydrophobicContact CD2-CB 4.08Å; Q686-D690 PolarHBondContact O-N 3.35Å; D690-T692 VanDerWaalsContact C-N 3.29Å; D690-T692 PolarHBondContact O-N 3.47Å; D690-K693 PolarHBondContact O-N 3.12Å; D690-A694 VanDerWaalsContact O-CB 3.29Å; D690-A694 WeakPolarHBondContact O-CB 3.31Å; D690-A694 PolarHBondContact O-N 3.41Å
691	L	93.4	Very high	87.9	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.5	-35.2	173.9	-77.4	170.4	0	0	0	112.2	L622 L627 L648 M651 F653 L665 W687 T688 Q695	L622-L691 HydrophobicContact CD1-CD2 3.6Å; L622-L691 HydrophobicContact CD2-CD2 3.91Å; L622-L691 HydrophobicContact CD2-CG 4.16Å; L622-L691 HydrophobicContact CG-CD2 4.4Å; L627-L691 HydrophobicContact CD2-CD2 4.43Å; L648-L691 HydrophobicContact CD2-CD2 4.06Å; M651-L691 HydrophobicContact CE-CD1 3.66Å; M651-L691 HydrophobicContact CE-CD2 3.64Å; M651-L691 HydrophobicContact CE-CG 4.25Å; M651-L691 HydrophobicContact SD-CD2 4.44Å; F653-L691 HydrophobicContact CD1-CB 4.1Å; F653-L691 HydrophobicContact CD1-CD1 4.37Å; F653-L691 HydrophobicContact CE1-CB 3.69Å; F653-L691 HydrophobicContact CE2-CB 4.45Å; F653-L691 HydrophobicContact CG-CD1 4.45Å; F653-L691 HydrophobicContact CZ-CB 3.89Å; L665-L691 HydrophobicContact CD2-CD1 3.82Å; W687-L691 VanDerWaalsContact O-CB 3.26Å; W687-L691 WeakPolarHBondContact O-CB 3.43Å; W687-L691 WeakPolarHBondContact O-CD1 3.45Å; W687-L691 WeakPolarHBondContact O-CG 3.35Å; W687-L691 PolarHBondContact O-N 2.88Å; W687-L691 VanDerWaalsContact O-N 3.11Å; T688-L691 PolarHBondContact O-N 3.46Å; L691-Q695 WeakPolarHBondContact O-CB 3.27Å; L691-Q695 WeakPolarHBondContact O-CG 3.28Å; L691-Q695 PolarHBondContact O-N 3.12Å
692	T	91.8	Very high	86.8	Confident	71 Å²	71	57.7 Å²	57.7	44%	0.436	27%	0.269	S	S	.	.	H	α-helix	trans	-67.9	-48.4	176.8	-59	0	0	0	0	110.9	F653 T688 D689 D690 Q695 Y696	F653-T692 WeakPolarHBondContact CZ-OG1 3.43Å; T688-T692 WeakPolarHBondContact O-CB 3.18Å; T688-T692 PolarHBondContact O-N 3.39Å; T688-T692 PolarHBondContact O-OG1 3.4Å; D689-T692 WeakPolarHBondContact O-CB 3.46Å; D689-T692 PolarHBondContact O-N 3Å; D689-T692 VanDerWaalsContact O-N 3.17Å; D690-T692 VanDerWaalsContact C-N 3.29Å; D690-T692 PolarHBondContact O-N 3.47Å; T692-Q695 PolarHBondContact O-N 3.44Å; T692-Y696 WeakPolarHBondContact O-CB 3.46Å; T692-Y696 PolarHBondContact O-N 3.36Å
693	K	89.1	Confident	85.8	Confident	139 Å²	139	57.9 Å²	57.9	60%	0.604	27%	0.265	S	S	*	.	H	α-helix	trans	-58.3	-53.4	175.8	-176.4	178.8	177.7	-177.4	0	111.5	D689 D690 Q695 Y696 D697	D689-K693 WeakPolarHBondContact O-CB 3.41Å; D689-K693 PolarHBondContact O-N 3.49Å; D690-K693 PolarHBondContact O-N 3.12Å; K693-Q695 VanDerWaalsContact C-N 3.3Å; K693-Q695 PolarHBondContact O-N 3.1Å; K693-Y696 WeakPolarHBondContact O-CB 3.3Å; K693-Y696 PolarHBondContact O-N 3.45Å; K693-D697 PolarHBondContact O-N 2.69Å
694	A	88.3	Confident	84.5	Confident	4 Å²	4	61.4 Å²	61.4	3%	0.033	28%	0.278	C	S	.	.	H	α-helix	trans	-59.5	-38.3	179.5	0	0	0	0	0	112.8	I602 L648 D690 R698	I602-A694 HydrophobicContact CD1-CB 3.65Å; L648-A694 HydrophobicContact CD1-CB 3.65Å; D690-A694 VanDerWaalsContact O-CB 3.29Å; D690-A694 WeakPolarHBondContact O-CB 3.31Å; D690-A694 PolarHBondContact O-N 3.41Å; A694-R698 VanDerWaalsContact O-CB 3.31Å; A694-R698 WeakPolarHBondContact O-CB 3.42Å; A694-R698 PolarHBondContact O-N 2.92Å; A694-R698 VanDerWaalsContact O-N 3.17Å
695	Q	89.3	Confident	83.2	Confident	17 Å²	17	63.1 Å²	63.1	8%	0.079	29%	0.286	C	S	.	.	H	α-helix	trans	-68.1	-38.5	172.6	-80.7	-155.4	17.3	0	0	113.4	L648 M651 F653 L691 T692 K693 K699	L648-Q695 HydrophobicContact CB-CG 4.33Å; L648-Q695 PolarHBondContact O-NE2 3.18Å; M651-Q695 PolarHBondContact O-NE2 3.29Å; F653-Q695 HydrophobicContact CE1-CG 4.35Å; L691-Q695 WeakPolarHBondContact O-CB 3.27Å; L691-Q695 WeakPolarHBondContact O-CG 3.28Å; L691-Q695 PolarHBondContact O-N 3.12Å; T692-Q695 PolarHBondContact O-N 3.44Å; K693-Q695 VanDerWaalsContact C-N 3.3Å; K693-Q695 PolarHBondContact O-N 3.1Å; Q695-K699 WeakPolarHBondContact O-CB 3.39Å; Q695-K699 WeakPolarHBondContact O-CD 3.45Å; Q695-K699 WeakPolarHBondContact O-CG 3.5Å; Q695-K699 PolarHBondContact O-N 3.14Å; Q695-K699 VanDerWaalsContact O-N 3.09Å
696	Y	85.9	Confident	81.8	Confident	150 Å²	150	65 Å²	65	59%	0.588	30%	0.302	S	S	*	.	H	α-helix	trans	-62.3	-51.1	177.5	178.1	-92.1	0	0	0	110.6	T692 K693 R698 K699 S700	T692-Y696 WeakPolarHBondContact O-CB 3.46Å; T692-Y696 PolarHBondContact O-N 3.36Å; K693-Y696 WeakPolarHBondContact O-CB 3.3Å; K693-Y696 PolarHBondContact O-N 3.45Å; Y696-R698 VanDerWaalsContact C-N 3.34Å; Y696-R698 PolarHBondContact O-N 3.32Å; Y696-K699 PolarHBondContact O-N 2.74Å; Y696-K699 VanDerWaalsContact O-N 3.14Å; Y696-S700 WeakPolarHBondContact O-CB 3.21Å; Y696-S700 PolarHBondContact O-N 3.46Å; Y696-S700 PolarHBondContact O-OG 2.93Å
697	D	79.7	Confident	80.5	Confident	88 Å²	88	64.7 Å²	64.7	47%	0.471	31%	0.306	S	S	.	.	H	α-helix	trans	-60.2	-44.6	-178.8	-65.1	-28.5	0	0	0	111.4	K693 K699 S700 Y701	K693-D697 PolarHBondContact O-N 2.69Å; D697-K699 VanDerWaalsContact C-N 3.34Å; D697-K699 PolarHBondContact O-N 2.93Å; D697-S700 PolarHBondContact O-N 3.34Å; D697-Y701 WeakPolarHBondContact O-CB 3.42Å; D697-Y701 PolarHBondContact O-N 2.77Å
698	R	80.7	Confident	78.9	Confident	71 Å²	71	64.7 Å²	64.7	27%	0.268	31%	0.305	S	S	.	.	H	α-helix	trans	-61.9	-38	176.8	-169.2	66.3	176.4	-163.1	-2.8	112.9	A694 Y696 K702	A694-R698 VanDerWaalsContact O-CB 3.31Å; A694-R698 WeakPolarHBondContact O-CB 3.42Å; A694-R698 PolarHBondContact O-N 2.92Å; A694-R698 VanDerWaalsContact O-N 3.17Å; Y696-R698 VanDerWaalsContact C-N 3.34Å; Y696-R698 PolarHBondContact O-N 3.32Å; R698-K702 PolarHBondContact O-N 2.96Å
699	K	79.6	Confident	77.6	Confident	94 Å²	94	66.9 Å²	66.9	41%	0.409	32%	0.319	S	S	.	.	H	α-helix	trans	-73	-44.2	176.8	-71.7	165.3	-166.9	167.5	0	111.5	Q695 Y696 D697 Y701 K702 R703	Q695-K699 WeakPolarHBondContact O-CB 3.39Å; Q695-K699 WeakPolarHBondContact O-CD 3.45Å; Q695-K699 WeakPolarHBondContact O-CG 3.5Å; Q695-K699 PolarHBondContact O-N 3.14Å; Q695-K699 VanDerWaalsContact O-N 3.09Å; Y696-K699 PolarHBondContact O-N 2.74Å; Y696-K699 VanDerWaalsContact O-N 3.14Å; D697-K699 VanDerWaalsContact C-N 3.34Å; D697-K699 PolarHBondContact O-N 2.93Å; K699-Y701 VanDerWaalsContact C-N 3.32Å; K699-Y701 PolarHBondContact O-N 2.7Å; K699-K702 PolarHBondContact O-N 3.27Å; K699-R703 WeakPolarHBondContact O-CG 3.25Å; K699-R703 PolarHBondContact O-N 2.92Å
700	S	72.9	Confident	76.3	Confident	25 Å²	25	67.5 Å²	67.5	18%	0.175	32%	0.319	C	S	.	.	H	α-helix	trans	-63.3	-36.6	178.4	-67.7	0	0	0	0	112.2	Y696 D697 R703 R704	Y696-S700 WeakPolarHBondContact O-CB 3.21Å; Y696-S700 PolarHBondContact O-N 3.46Å; Y696-S700 PolarHBondContact O-OG 2.93Å; D697-S700 PolarHBondContact O-N 3.34Å; S700-R703 PolarHBondContact O-N 3.08Å; S700-R704 PolarHBondContact O-N 2.94Å
701	Y	68.8	Low	75	Confident	43 Å²	43	70.4 Å²	70.4	17%	0.169	33%	0.328	C	S	.	.	H	α-helix	trans	-58.9	-53.5	169.1	174.7	-105.6	0	0	0	112.5	A519 Q522 D697 K699 R703 R704 Q705	A519-Y701 HydrophobicContact CB-CE2 3.61Å; A519-Y701 WeakPolarHBondContact CB-OH 3.44Å; A519-Y701 PolarHBondContact N-OH 3.29Å; Q522-Y701 PolarHBondContact OE1-OH 2.83Å; D697-Y701 WeakPolarHBondContact O-CB 3.42Å; D697-Y701 PolarHBondContact O-N 2.77Å; K699-Y701 VanDerWaalsContact C-N 3.32Å; K699-Y701 PolarHBondContact O-N 2.7Å; Y701-R703 VanDerWaalsContact C-N 3.28Å; Y701-R703 PolarHBondContact O-N 3.09Å; Y701-R704 PolarHBondContact O-N 3.16Å; Y701-Q705 PolarHBondContact O-N 2.84Å; Y701-Q705 VanDerWaalsContact O-N 3.09Å
702	K	67.9	Low	73.5	Confident	78 Å²	78	72.1 Å²	72.1	34%	0.339	34%	0.335	S	S	.	.	H	α-helix	trans	-64.6	-27.5	178.5	-90	-165.6	164.6	-178.5	0	114.1	E649 R698 K699 Q705 S706	E649-K702 IonicContact OE1-NZ 3.41Å; E649-K702 PolarHBondContact OE1-NZ 3.4Å; E649-K702 WeakPolarHBondContact OE2-CE 3.41Å; E649-K702 IonicContact OE2-NZ 3.48Å; E649-K702 PolarHBondContact OE2-NZ 3.41Å; R698-K702 PolarHBondContact O-N 2.96Å; K699-K702 PolarHBondContact O-N 3.27Å; K702-Q705 WeakPolarHBondContact O-CB 3.49Å; K702-S706 WeakPolarHBondContact O-CB 3.39Å; K702-S706 PolarHBondContact O-N 3.12Å
703	R	69.5	Low	72.3	Confident	157 Å²	157	72.1 Å²	72.1	59%	0.592	33%	0.333	S	S	*	.	H	α-helix	trans	-63.7	-51.5	172.4	-74.8	176.1	-178.7	177.2	0.5	111.4	K699 S700 Y701 Q705 S706 T707	K699-R703 WeakPolarHBondContact O-CG 3.25Å; K699-R703 PolarHBondContact O-N 2.92Å; S700-R703 PolarHBondContact O-N 3.08Å; Y701-R703 VanDerWaalsContact C-N 3.28Å; Y701-R703 PolarHBondContact O-N 3.09Å; R703-Q705 VanDerWaalsContact C-N 3.3Å; R703-Q705 PolarHBondContact O-N 3Å; R703-S706 PolarHBondContact O-N 3.01Å; R703-S706 VanDerWaalsContact O-N 3.15Å; R703-T707 PolarHBondContact O-N 3.06Å; R703-T707 PolarHBondContact O-OG1 3.38Å
704	R	66.8	Low	71.5	Confident	100 Å²	100	69.6 Å²	69.6	38%	0.377	32%	0.323	S	S	.	.	H	α-helix	trans	-55.4	-46.5	175.3	-73.1	-170.9	-78.2	-177.1	-1.3	111.5	N495 S700 Y701 S706 T707 A708	N495-R704 PolarHBondContact OD1-NH1 3.13Å; S700-R704 PolarHBondContact O-N 2.94Å; Y701-R704 PolarHBondContact O-N 3.16Å; R704-S706 VanDerWaalsContact C-N 3.34Å; R704-S706 PolarHBondContact O-N 2.92Å; R704-T707 WeakPolarHBondContact CA-OG1 3.2Å; R704-T707 PolarHBondContact O-N 3.28Å; R704-T707 PolarHBondContact O-OG1 2.68Å; R704-A708 PolarHBondContact O-N 3.26Å; R704-A708 VanDerWaalsContact O-N 3.12Å
705	Q	64	Low	70.1	Confident	48 Å²	48	72 Å²	72	22%	0.224	34%	0.335	C	S	.	.	H	α-helix	trans	-53	-48.6	175.5	-151.9	-173.8	28.2	0	0	112.3	Y505 Y701 K702 R703 V709	Y505-Q705 HydrophobicContact CD2-CG 4.41Å; Y505-Q705 HydrophobicContact CE2-CB 4.38Å; Y505-Q705 HydrophobicContact CE2-CG 3.46Å; Y505-Q705 VanDerWaalsContact CE2-CG 3.46Å; Y701-Q705 PolarHBondContact O-N 2.84Å; Y701-Q705 VanDerWaalsContact O-N 3.09Å; K702-Q705 WeakPolarHBondContact O-CB 3.49Å; R703-Q705 VanDerWaalsContact C-N 3.3Å; R703-Q705 PolarHBondContact O-N 3Å; Q705-V709 WeakPolarHBondContact O-CG2 3.37Å; Q705-V709 PolarHBondContact O-N 2.97Å
706	S	63.8	Low	69	Low	77 Å²	77	76.2 Å²	76.2	54%	0.538	35%	0.353	S	S	.	.	H	α-helix	trans	-69.3	-37.5	-178.7	-170.4	0	0	0	0	113.4	K702 R703 R704 Q710	K702-S706 WeakPolarHBondContact O-CB 3.39Å; K702-S706 PolarHBondContact O-N 3.12Å; R703-S706 PolarHBondContact O-N 3.01Å; R703-S706 VanDerWaalsContact O-N 3.15Å; R704-S706 VanDerWaalsContact C-N 3.34Å; R704-S706 PolarHBondContact O-N 2.92Å; S706-Q710 PolarHBondContact O-N 2.9Å
707	T	66.3	Low	68.4	Low	70 Å²	70	75.3 Å²	75.3	43%	0.429	35%	0.353	S	S	.	.	H	α-helix	trans	-67.4	-36.3	177.9	42.6	0	0	0	0	112.8	R703 R704 Q710 R711	R703-T707 PolarHBondContact O-N 3.06Å; R703-T707 PolarHBondContact O-OG1 3.38Å; R704-T707 WeakPolarHBondContact CA-OG1 3.2Å; R704-T707 PolarHBondContact O-N 3.28Å; R704-T707 PolarHBondContact O-OG1 2.68Å; T707-Q710 PolarHBondContact O-N 3.1Å; T707-R711 PolarHBondContact O-N 2.96Å; T707-R711 VanDerWaalsContact O-N 3.14Å
708	A	60.2	Low	67.8	Low	0 Å²	0	77.5 Å²	77.5	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-71.4	-36.7	179.4	0	0	0	0	0	112.4	Y505 R704 Q710 R711 H712	Y505-A708 HydrophobicContact CD1-CB 3.29Å; Y505-A708 HydrophobicContact CD2-CB 3.98Å; Y505-A708 HydrophobicContact CE1-CB 4.01Å; Y505-A708 HydrophobicContact CG-CB 3.27Å; R704-A708 PolarHBondContact O-N 3.26Å; R704-A708 VanDerWaalsContact O-N 3.12Å; A708-Q710 VanDerWaalsContact C-N 3.28Å; A708-Q710 PolarHBondContact O-N 3.27Å; A708-R711 PolarHBondContact O-N 2.83Å; A708-H712 PolarHBondContact O-N 3.16Å
709	V	64.9	Low	66.7	Low	56 Å²	56	79 Å²	79	34%	0.339	37%	0.369	S	S	.	.	H	α-helix	trans	-53.3	-48.5	168.1	179.2	0	0	0	0	110.7	Y505 Q705 R711 H712 D713	Y505-V709 HydrophobicContact CE1-CB 4.24Å; Y505-V709 HydrophobicContact CE1-CG2 3.51Å; Y505-V709 WeakPolarHBondContact OH-CG2 3.27Å; Q705-V709 WeakPolarHBondContact O-CG2 3.37Å; Q705-V709 PolarHBondContact O-N 2.97Å; V709-R711 PolarHBondContact O-N 2.91Å; V709-H712 PolarHBondContact O-N 3.44Å; V709-D713 WeakPolarHBondContact O-CB 3.5Å; V709-D713 PolarHBondContact O-N 3.16Å
710	Q	66.8	Low	65.8	Low	99 Å²	99	78.4 Å²	78.4	46%	0.463	37%	0.371	S	S	.	.	H	α-helix	trans	-66.9	-39.2	-173.9	-160.5	-173.4	-60.5	0	0	111.6	S706 T707 A708 D713 E714	S706-Q710 PolarHBondContact O-N 2.9Å; T707-Q710 PolarHBondContact O-N 3.1Å; A708-Q710 VanDerWaalsContact C-N 3.28Å; A708-Q710 PolarHBondContact O-N 3.27Å; Q710-D713 PolarHBondContact O-N 2.88Å; Q710-E714 WeakPolarHBondContact CG-OE1 3.22Å; Q710-E714 PolarHBondContact NE2-OE1 3.16Å; Q710-E714 WeakPolarHBondContact O-CB 3.33Å; Q710-E714 VanDerWaalsContact O-CG 3.31Å; Q710-E714 WeakPolarHBondContact O-CG 3.49Å; Q710-E714 PolarHBondContact O-N 3.19Å
711	R	64.9	Low	65.3	Low	91 Å²	91	84 Å²	84	34%	0.343	39%	0.392	S	S	.	.	H	α-helix	trans	-63	-48	174.6	-68.6	-179.3	-174.1	153.7	2.9	112	E502 T707 A708 V709 D713 E714 N715	E502-R711 VanDerWaalsContact OE2-CB 3.3Å; E502-R711 WeakPolarHBondContact OE2-CB 3.36Å; T707-R711 PolarHBondContact O-N 2.96Å; T707-R711 VanDerWaalsContact O-N 3.14Å; A708-R711 PolarHBondContact O-N 2.83Å; V709-R711 PolarHBondContact O-N 2.91Å; R711-D713 VanDerWaalsContact C-N 3.33Å; R711-D713 PolarHBondContact O-N 2.93Å; R711-E714 CarbonylContact O-C 3.56Å; R711-E714 PolarHBondContact O-N 2.89Å; R711-E714 VanDerWaalsContact O-N 3.08Å; R711-N715 WeakPolarHBondContact O-CB 3.28Å; R711-N715 PolarHBondContact O-N 3.03Å
712	H	62.3	Low	64.6	Low	36 Å²	36	88.3 Å²	88.3	17%	0.167	42%	0.417	C	S	.	.	H	α-helix	trans	-56.3	-47.6	173.4	160	-94.2	0	0	0	111.4	E502 M506 A708 V709 E714 N715 K716	E502-H712 WeakPolarHBondContact OE1-CA 3.26Å; M506-H712 WeakPolarHBondContact CE-CD2 3.26Å; M506-H712 HydrophobicContact CG-CB 4.38Å; M506-H712 HydrophobicContact SD-CB 3.54Å; M506-H712 VanDerWaalsContact SD-CB 3.54Å; M506-H712 PolarHBondContact SD-CD2 2.69Å; A708-H712 PolarHBondContact O-N 3.16Å; V709-H712 PolarHBondContact O-N 3.44Å; H712-E714 PolarHBondContact O-N 3.34Å; H712-N715 PolarHBondContact O-N 3.4Å; H712-K716 VanDerWaalsContact O-CB 3.23Å; H712-K716 WeakPolarHBondContact O-CB 3.45Å; H712-K716 PolarHBondContact O-N 3.2Å
713	D	66.7	Low	63.8	Low	72 Å²	72	89.9 Å²	89.9	39%	0.385	43%	0.429	S	S	.	.	H	α-helix	trans	-64.2	-25.4	-179.7	-90.8	15.2	0	0	0	112.2	V709 Q710 R711 K717	V709-D713 WeakPolarHBondContact O-CB 3.5Å; V709-D713 PolarHBondContact O-N 3.16Å; Q710-D713 PolarHBondContact O-N 2.88Å; R711-D713 VanDerWaalsContact C-N 3.33Å; R711-D713 PolarHBondContact O-N 2.93Å; D713-K717 WeakPolarHBondContact O-CD 3.24Å; D713-K717 WeakPolarHBondContact O-CE 3.44Å; D713-K717 WeakPolarHBondContact O-CG 3.36Å; D713-K717 PolarHBondContact O-NZ 3.25Å
714	E	71.3	Confident	62.7	Low	86 Å²	86	90.2 Å²	90.2	40%	0.402	44%	0.439	S	S	.	.	H	α-helix	trans	-81.1	-42.8	172	-72.8	168	-163.9	0	0	111.7	Q710 R711 H712 K717 K718	Q710-E714 WeakPolarHBondContact CG-OE1 3.22Å; Q710-E714 PolarHBondContact NE2-OE1 3.16Å; Q710-E714 WeakPolarHBondContact O-CB 3.33Å; Q710-E714 VanDerWaalsContact O-CG 3.31Å; Q710-E714 WeakPolarHBondContact O-CG 3.49Å; Q710-E714 PolarHBondContact O-N 3.19Å; R711-E714 CarbonylContact O-C 3.56Å; R711-E714 PolarHBondContact O-N 2.89Å; R711-E714 VanDerWaalsContact O-N 3.08Å; H712-E714 PolarHBondContact O-N 3.34Å; E714-K717 CarbonylContact O-C 3.6Å; E714-K717 WeakPolarHBondContact O-CB 3.44Å; E714-K717 PolarHBondContact O-N 2.93Å; E714-K717 VanDerWaalsContact O-N 3.16Å; E714-K718 WeakPolarHBondContact O-CG 3.26Å; E714-K718 PolarHBondContact O-N 3.12Å
715	N	60.5	Low	61.7	Low	53 Å²	53	90.9 Å²	90.9	28%	0.283	45%	0.449	S	S	.	.	H	α-helix	trans	-68.6	-38.3	178.8	-72.8	-20.1	0	0	0	112.5	E502 R711 H712 K717 K718 M719	E502-N715 PolarHBondContact OE1-ND2 3.36Å; E502-N715 PolarHBondContact OE2-ND2 2.82Å; R711-N715 WeakPolarHBondContact O-CB 3.28Å; R711-N715 PolarHBondContact O-N 3.03Å; H712-N715 PolarHBondContact O-N 3.4Å; N715-K717 VanDerWaalsContact C-N 3.28Å; N715-K717 PolarHBondContact O-N 2.63Å; N715-K718 WeakPolarHBondContact O-CB 3.44Å; N715-K718 PolarHBondContact O-N 2.99Å; N715-K718 VanDerWaalsContact O-N 3.12Å; N715-K718 WeakPolarHBondContact OD1-CE 3.31Å; N715-K718 PolarHBondContact OD1-NZ 3.33Å; N715-M719 WeakPolarHBondContact O-CB 3.32Å; N715-M719 PolarHBondContact O-N 3.34Å
716	K	66.1	Low	60.2	Low	106 Å²	106	93.6 Å²	93.6	46%	0.461	47%	0.469	S	S	.	.	H	α-helix	trans	-61.3	-35.3	169.4	-175.4	165.8	-176	163.7	0	112	H712 N720	H712-K716 VanDerWaalsContact O-CB 3.23Å; H712-K716 WeakPolarHBondContact O-CB 3.45Å; H712-K716 PolarHBondContact O-N 3.2Å; K716-N720 VanDerWaalsContact O-CB 3.28Å; K716-N720 WeakPolarHBondContact O-CB 3.24Å; K716-N720 PolarHBondContact O-N 3.45Å; K716-N720 PolarHBondContact O-OD1 2.81Å
717	K	71.8	Confident	59	Low	132 Å²	132	95.5 Å²	95.5	57%	0.574	48%	0.48	S	S	*	.	H	α-helix	trans	-70.4	-38.7	171.7	-70.6	173.6	-164.9	90.9	0	111.9	D713 E714 N715 K721	D713-K717 WeakPolarHBondContact O-CD 3.24Å; D713-K717 WeakPolarHBondContact O-CE 3.44Å; D713-K717 WeakPolarHBondContact O-CG 3.36Å; D713-K717 PolarHBondContact O-NZ 3.25Å; E714-K717 CarbonylContact O-C 3.6Å; E714-K717 WeakPolarHBondContact O-CB 3.44Å; E714-K717 PolarHBondContact O-N 2.93Å; E714-K717 VanDerWaalsContact O-N 3.16Å; N715-K717 VanDerWaalsContact C-N 3.28Å; N715-K717 PolarHBondContact O-N 2.63Å; K717-K721 VanDerWaalsContact O-CB 3.24Å; K717-K721 WeakPolarHBondContact O-CB 3.24Å; K717-K721 PolarHBondContact O-N 3.2Å
718	K	68.9	Low	57.4	Low	133 Å²	133	101.2 Å²	101.2	58%	0.578	50%	0.501	S	S	*	.	H	α-helix	trans	-61.7	-49.2	173	-65.5	171.8	-164.5	163.8	0	111.2	E714 N715 K721 L722	E714-K718 WeakPolarHBondContact O-CG 3.26Å; E714-K718 PolarHBondContact O-N 3.12Å; N715-K718 WeakPolarHBondContact O-CB 3.44Å; N715-K718 PolarHBondContact O-N 2.99Å; N715-K718 VanDerWaalsContact O-N 3.12Å; N715-K718 WeakPolarHBondContact OD1-CE 3.31Å; N715-K718 PolarHBondContact OD1-NZ 3.33Å; K718-K721 CarbonylContact O-C 3.59Å; K718-K721 WeakPolarHBondContact O-CB 3.46Å; K718-K721 PolarHBondContact O-N 2.92Å; K718-K721 VanDerWaalsContact O-N 3.15Å; K718-L722 PolarHBondContact O-N 2.77Å
719	M	56.3	Low	56	Low	103 Å²	103	107.7 Å²	107.7	51%	0.507	54%	0.541	S	S	.	.	H	α-helix	trans	-62.2	-46.8	179.2	-172.2	179.9	72.2	0	0	111.7	N715 K721 L722 L723	N715-M719 WeakPolarHBondContact O-CB 3.32Å; N715-M719 PolarHBondContact O-N 3.34Å; M719-K721 VanDerWaalsContact C-N 3.28Å; M719-K721 PolarHBondContact O-N 3.18Å; M719-L722 PolarHBondContact O-N 3.44Å; M719-L722 VanDerWaalsContact O-N 3.16Å; M719-L723 HydrophobicContact CG-CD1 4.35Å; M719-L723 WeakPolarHBondContact O-CG 3.49Å; M719-L723 PolarHBondContact O-N 2.9Å
720	N	60.7	Low	54.6	Low	81 Å²	81	110.4 Å²	110.4	43%	0.433	56%	0.56	S	S	.	*	H	α-helix	trans	-63.2	-33.3	174	-73.2	14.6	0	0	0	112.4	K716 M724	K716-N720 VanDerWaalsContact O-CB 3.28Å; K716-N720 WeakPolarHBondContact O-CB 3.24Å; K716-N720 PolarHBondContact O-N 3.45Å; K716-N720 PolarHBondContact O-OD1 2.81Å; N720-M724 WeakPolarHBondContact O-CB 3.43Å; N720-M724 WeakPolarHBondContact O-CG 3.46Å; N720-M724 PolarHBondContact O-N 3.21Å; N720-M724 VanDerWaalsContact O-N 3.13Å
721	K	63.2	Low	52.8	Low	144 Å²	144	113 Å²	113	63%	0.626	58%	0.576	S	S	*	*	H	α-helix	trans	-69.8	-36.6	174	-171.5	-175.7	178.2	-169.2	0	111.7	K717 K718 M719 M724 L725	K717-K721 VanDerWaalsContact O-CB 3.24Å; K717-K721 WeakPolarHBondContact O-CB 3.24Å; K717-K721 PolarHBondContact O-N 3.2Å; K718-K721 CarbonylContact O-C 3.59Å; K718-K721 WeakPolarHBondContact O-CB 3.46Å; K718-K721 PolarHBondContact O-N 2.92Å; K718-K721 VanDerWaalsContact O-N 3.15Å; M719-K721 VanDerWaalsContact C-N 3.28Å; M719-K721 PolarHBondContact O-N 3.18Å; K721-M724 CarbonylContact O-C 3.46Å; K721-M724 PolarHBondContact O-N 3.45Å; K721-L725 HydrophobicContact CG-CD1 4.15Å; K721-L725 WeakPolarHBondContact O-CD1 3.17Å; K721-L725 VanDerWaalsContact O-CG 3.28Å; K721-L725 WeakPolarHBondContact O-CG 3.47Å; K721-L725 PolarHBondContact O-N 2.81Å
722	L	54.1	Low	51.3	Low	132 Å²	132	113.5 Å²	113.5	69%	0.691	60%	0.6	S	S	*	*	H	α-helix	trans	-67.8	-42	176.9	-160.1	72.2	0	0	0	111.3	K718 M719 M724 L725	K718-L722 PolarHBondContact O-N 2.77Å; M719-L722 PolarHBondContact O-N 3.44Å; M719-L722 VanDerWaalsContact O-N 3.16Å; L722-M724 PolarHBondContact O-N 2.55Å; L722-L725 PolarHBondContact O-N 2.96Å; L722-L725 VanDerWaalsContact O-N 3.08Å
723	L	50.8	Low	49.9	Very low	112 Å²	112	115.8 Å²	115.8	59%	0.586	62%	0.621	S	S	*	*	H	α-helix	trans	-64.2	-24.4	171.6	-73	163.8	0	0	0	113.3	M719 L725 T726	M719-L723 HydrophobicContact CG-CD1 4.35Å; M719-L723 WeakPolarHBondContact O-CG 3.49Å; M719-L723 PolarHBondContact O-N 2.9Å; L723-L725 VanDerWaalsContact C-N 3.32Å; L723-T726 PolarHBondContact O-OG1 3.1Å
724	M	47.3	Very low	48.1	Very low	164 Å²	164	119.9 Å²	119.9	81%	0.808	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	12.6	174.3	-68.2	-85.9	160.7	0	0	112.7	N720 K721 L722	N720-M724 WeakPolarHBondContact O-CB 3.43Å; N720-M724 WeakPolarHBondContact O-CG 3.46Å; N720-M724 PolarHBondContact O-N 3.21Å; N720-M724 VanDerWaalsContact O-N 3.13Å; K721-M724 CarbonylContact O-C 3.46Å; K721-M724 PolarHBondContact O-N 3.45Å; L722-M724 PolarHBondContact O-N 2.55Å
725	L	45.3	Very low	46.3	Very low	114 Å²	114	123.7 Å²	123.7	60%	0.597	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.3	14.6	177.6	-76.1	171.1	0	0	0	112.7	K721 L722 L723 P727	K721-L725 HydrophobicContact CG-CD1 4.15Å; K721-L725 WeakPolarHBondContact O-CD1 3.17Å; K721-L725 VanDerWaalsContact O-CG 3.28Å; K721-L725 WeakPolarHBondContact O-CG 3.47Å; K721-L725 PolarHBondContact O-N 2.81Å; L722-L725 PolarHBondContact O-N 2.96Å; L722-L725 VanDerWaalsContact O-N 3.08Å; L723-L725 VanDerWaalsContact C-N 3.32Å; L725-P727 WeakPolarHBondContact O-CD 3.08Å
726	T	32.4	Very low	44.8	Very low	105 Å²	105	130.1 Å²	130.1	64%	0.644	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-63.2	121.4	160.3	47.7	0	0	0	0	108.8	L723	L723-T726 PolarHBondContact O-OG1 3.1Å
727	P	39.3	Very low	42.9	Very low	117 Å²	117	136.1 Å²	136.1	76%	0.76	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-60.6	144.8	171.3	-20	33	0	0	0	110.2	L725 V729	L725-P727 WeakPolarHBondContact O-CD 3.08Å; P727-V729 PolarHBondContact O-N 2.86Å
728	E	31.4	Very low	41.3	Very low	189 Å²	189	134.5 Å²	134.5	88%	0.883	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-64.1	135	168.9	-65	-172.9	152.5	0	0	109.1	P730	E728-P730 WeakPolarHBondContact O-CD 3.42Å
729	V	31.5	Very low	39.3	Very low	136 Å²	136	135.4 Å²	135.4	82%	0.824	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-71.2	121	179.2	178	0	0	0	0	108.1	P727	P727-V729 PolarHBondContact O-N 2.86Å
730	P	34.4	Very low	37.9	Very low	113 Å²	113	137.6 Å²	137.6	73%	0.734	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-62.7	154.4	172.9	-20.8	34.2	0	0	0	111.4	E728	E728-P730 WeakPolarHBondContact O-CD 3.42Å
731	D	29.1	Very low	36.4	Very low	153 Å²	153	141.9 Å²	141.9	82%	0.818	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-60	148.5	-169.5	-150.4	-13.8	0	0	0	113.6	S733	D731-S733 PolarHBondContact O-N 2.83Å
732	A	34	Very low	34.6	Very low	102 Å²	102	141 Å²	141	84%	0.843	76%	0.758	S	S	*	*			trans	-96	70.4	-169.8	0	0	0	0	0	111.9
733	S	33	Very low	33.4	Very low	85 Å²	85	139.1 Å²	139.1	59%	0.594	76%	0.756	S	S	*	*			trans	-131.7	152.5	169.7	63.6	0	0	0	0	112.6	D731	D731-S733 PolarHBondContact O-N 2.83Å
734	D	29.2	Very low	32.3	Very low	157 Å²	157	145 Å²	145	84%	0.84	77%	0.771	S	S	*	*			trans	78.9	142.5	173.2	-54.3	-34.2	0	0	0	118.8
735	L	32.6	Very low	31.4	Very low	166 Å²	166	142.8 Å²	142.8	87%	0.869	77%	0.771	S	S	*	*			trans	-86.6	170.8	-171.5	-51.9	153	0	0	0	108.7
736	E	28.9	Very low	30.5	Very low	188 Å²	188	149 Å²	149	88%	0.879	79%	0.787	S	S	*	*			cis	-150.2	-172	29.8	-64.5	-177	122.7	0	0	112.7
737	R	26.7	Very low	30.2	Very low	232 Å²	232	149.1 Å²	149.1	88%	0.875	79%	0.792	S	S	*	*			trans	-128.7	134.6	172.9	158.9	-167.9	-78.4	-142	3.3	106.3
738	P	39.5	Very low	29.5	Very low	99 Å²	99	151.8 Å²	151.8	64%	0.643	80%	0.796	S	S	*	*				-160.1	-172.9	87.1	40	-17.1	0	0	0	118.7
739	Q	26.5	Very low	29.1	Very low	151 Å²	151	146.8 Å²	146.8	71%	0.706	78%	0.782	S	S	*	*			trans	75.4	123.8	173.6	-40.8	-53.4	-19.8	0	0	115.4
740	L	26.9	Very low	28.7	Very low	149 Å²	149	145 Å²	145	78%	0.78	78%	0.775	S	S	*	*			cis	69.6	112.5	48.1	-69.1	173.4	0	0	0	114.2
741	I	28.5	Very low	28.2	Very low	172 Å²	172	148.3 Å²	148.3	88%	0.882	78%	0.78	S	S	*	*				-179.8	145.4	117.8	-93.6	161.7	0	0	0	112.6
742	D	26.1	Very low	28.2	Very low	124 Å²	124	145.3 Å²	145.3	66%	0.663	77%	0.771	S	S	*	*			trans	25.6	139.5	168.9	-135.2	-9.8	0	0	0	124.9
743	S	28.9	Very low	27.9	Very low	94 Å²	94	148.1 Å²	148.1	66%	0.657	77%	0.767	S	S	*	*			trans	-68.4	156.9	154.5	55.7	0	0	0	0	113.9
744	R	26.3	Very low	27.6	Very low	236 Å²	236	149.8 Å²	149.8	89%	0.891	77%	0.769	S	S	*	*			trans	-165.6	134.3	139.8	-109.5	161.1	-157.1	-145.4	2.3	112
745	S	29.3	Very low	27.6	Very low	116 Å²	116	149.6 Å²	149.6	81%	0.811	76%	0.763	S	S	*	*			trans	-117.1	131.5	173.4	47.7	0	0	0	0	110
746	R	25.8	Very low	27.4	Very low	246 Å²	246	148.2 Å²	148.2	93%	0.928	76%	0.756	S	S	*	*			trans	-159.6	137.9	153.1	-123.5	178.5	-172.7	-162.2	-0.6	112.7
747	S	26.9	Very low	27.2	Very low	107 Å²	107	144 Å²	144	75%	0.748	75%	0.747	S	S	*	*			trans	-75.9	162.8	161.4	48.5	0	0	0	0	111.1
748	M	24.1	Very low	27.3	Very low	173 Å²	173	138 Å²	138	85%	0.852	74%	0.741	S	S	*	*			trans	-166.7	177	137.9	-93.3	-95.5	74.8	0	0	108.8
749	S	23.6	Very low	27.1	Very low	83 Å²	83	139.5 Å²	139.5	58%	0.58	75%	0.748	S	S	*	*			trans	-128.4	160.5	-146.7	52.5	0	0	0	0	116.2
750	C	21.9	Very low	27.5	Very low	100 Å²	100	138.4 Å²	138.4	68%	0.676	75%	0.754	S	S	*	*			trans	63	159.1	141.1	69.3	0	0	0	0	123.1
751	E	25.3	Very low	27.5	Very low	182 Å²	182	137.6 Å²	137.6	85%	0.85	76%	0.755	S	S	*	*			trans	73.5	139.5	165.4	-64.2	176.4	165	0	0	117.8
752	S	28.2	Very low	27.9	Very low	90 Å²	90	135.4 Å²	135.4	63%	0.629	75%	0.75	S	S	*	*			cis	-164.6	163.7	-12.9	54.3	0	0	0	0	112.2
753	Q	27.5	Very low	28.4	Very low	161 Å²	161	135.4 Å²	135.4	75%	0.752	76%	0.756	S	S	*	*			trans	70	151.7	158.3	-69.7	174.6	-72.6	0	0	118.9
754	D	27	Very low	28.3	Very low	120 Å²	120	139 Å²	139	64%	0.642	77%	0.768	S	S	*	*			cis	-158.2	163.7	-3.5	-116.2	-21.5	0	0	0	113.4
755	E	29	Very low	28.4	Very low	152 Å²	152	134.6 Å²	134.6	71%	0.71	76%	0.762	S	S	*	*			trans	60.1	143.8	153.5	-65.1	-73.3	83.1	0	0	121.2
756	L	28.3	Very low	28.4	Very low	137 Å²	137	136.6 Å²	136.6	72%	0.717	76%	0.763	S	S	*	*			cis	-165.1	155.5	-10.6	-176.1	74.1	0	0	0	110.8
757	S	25.8	Very low	28.3	Very low	100 Å²	100	128.4 Å²	128.4	70%	0.699	76%	0.755	S	S	*	*			trans	73.3	139.9	150.3	158.7	0	0	0	0	120.3
758	S	28.7	Very low	28.2	Very low	105 Å²	105	131.9 Å²	131.9	73%	0.734	76%	0.759	S	S	*	*			cis	-163.1	157	-7.1	-82.6	0	0	0	0	111.7
759	V	35.1	Very low	28.2	Very low	132 Å²	132	131.3 Å²	131.3	80%	0.8	76%	0.758	S	S	*	*			trans	-148.1	147.5	172.9	-176.8	0	0	0	0	109.5
760	P	34.5	Very low	28.1	Very low	127 Å²	127	134.4 Å²	134.4	83%	0.825	77%	0.768	S	S	*	*			trans	-114.6	160.3	160.5	36	-26.1	0	0	0	113.5
761	V	26.8	Very low	28.2	Very low	132 Å²	132	137 Å²	137	80%	0.8	77%	0.771	S	S	*	*			trans	-119.2	163.1	-158.9	-176.1	0	0	0	0	112.6
762	T	36.8	Very low	28.1	Very low	126 Å²	126	134.4 Å²	134.4	77%	0.773	77%	0.767	S	S	*	*			trans	-70.9	170.9	171.9	49.8	0	0	0	0	113.8
763	P	36	Very low	28	Very low	124 Å²	124	137.8 Å²	137.8	81%	0.805	78%	0.777	S	S	*	*			trans	-140.2	176.8	132.7	38.1	-24.9	0	0	0	115
764	L	27.5	Very low	27.8	Very low	171 Å²	171	132.8 Å²	132.8	90%	0.895	77%	0.769	S	S	*	*			trans	-87.4	175.4	173.4	-67	148.5	0	0	0	110.4
765	D	28.2	Very low	27.6	Very low	143 Å²	143	137.3 Å²	137.3	77%	0.765	78%	0.783	S	S	*	*				-168.3	-171.9	73.1	-159.9	13.7	0	0	0	114.5
766	N	28.7	Very low	27.4	Very low	158 Å²	158	133.9 Å²	133.9	85%	0.845	79%	0.789	S	S	*	*			trans	-85.3	175.5	-157.7	-68.8	-64.1	0	0	0	119.9
767	G	25	Very low	27.1	Very low	73 Å²	73	136 Å²	136	75%	0.753	80%	0.795	S	S	*	*			trans	126.9	106.7	167.1	0	0	0	0	0	112.9
768	E	23.5	Very low	27.1	Very low	181 Å²	181	136.2 Å²	136.2	85%	0.846	79%	0.792	S	S	*	*			cis	109.6	122.1	24.7	-156.8	-179.2	-125	0	0	112.2
769	I	24.9	Very low	26.9	Very low	160 Å²	160	138.2 Å²	138.2	82%	0.821	80%	0.8	S	S	*	*			trans	55.1	156.6	178.8	41.8	-177.3	0	0	0	118.2
770	D	21.5	Very low	26.5	Very low	148 Å²	148	142.6 Å²	142.6	79%	0.791	80%	0.802	S	S	*	*			cis	-145.4	-179.1	19.3	-165.5	14.2	0	0	0	113.4
771	E	23.8	Very low	26.2	Very low	156 Å²	156	144.8 Å²	144.8	73%	0.729	81%	0.807	S	S	*	*			trans	-91.3	166.2	-178	-55.4	-167.9	93.5	0	0	116.2
772	T	23.8	Very low	26.2	Very low	127 Å²	127	141.7 Å²	141.7	78%	0.779	80%	0.801	S	S	*	*			trans	65.3	159.7	158.7	57.3	0	0	0	0	118.2
773	L	25.5	Very low	25.9	Very low	160 Å²	160	141.2 Å²	141.2	84%	0.838	80%	0.804	S	S	*	*			cis	-156.6	161.8	-5.6	-123.6	166.5	0	0	0	109.2
774	G	22.6	Very low	25.5	Very low	57 Å²	57	139.2 Å²	139.2	59%	0.588	81%	0.806	S	S	*	*			trans	108.3	104.2	143.3	0	0	0	0	0	120.8
775	F	23.5	Very low	25.5	Very low	214 Å²	214	140.7 Å²	140.7	94%	0.939	81%	0.805	S	S	*	*			trans	41.1	126.6	140.5	-64	-82.3	0	0	0	123.3
776	G	25	Very low	25.5	Very low	80 Å²	80	143.3 Å²	143.3	83%	0.825	81%	0.809	S	S	*	*			trans	-170.3	107.5	159.7	0	0	0	0	0	110.2
777	E	22.1	Very low	25.5	Very low	181 Å²	181	141.3 Å²	141.3	85%	0.846	81%	0.805	S	S	*	*			trans	-95.2	140.6	-162.6	-166.3	179.6	153.2	0	0	115
778	V	24.7	Very low	25.8	Very low	105 Å²	105	143.7 Å²	143.7	64%	0.636	81%	0.807	S	S	*	*			trans	31.7	117	157.4	178.9	0	0	0	0	119.2
779	T	25.6	Very low	26.4	Very low	148 Å²	148	140.2 Å²	140.2	91%	0.908	80%	0.803	S	S	*	*				-128.9	133.8	118.2	36.3	0	0	0	0	110.2
780	R	27.6	Very low	27.1	Very low	224 Å²	224	140.6 Å²	140.6	85%	0.845	80%	0.801	S	S	*	*			trans	-91.1	134.8	176.5	-80.6	178.3	167.9	164.5	-2	110.5
781	N	26.5	Very low	28.5	Very low	173 Å²	173	138.1 Å²	138.1	93%	0.925	79%	0.786	S	S	*	*			trans	-174.9	151.2	136.1	-96	-33.5	0	0	0	112.1
782	G	26.6	Very low	29.9	Very low	66 Å²	66	137.2 Å²	137.2	68%	0.68	79%	0.785	S	S	*	*	S	Bend	trans	106.3	80.5	160.6	0	0	0	0	0	119.5	G784	G782-G784 PolarHBondContact O-N 2.98Å
783	S	32.3	Very low	31.3	Very low	117 Å²	117	138.3 Å²	138.3	82%	0.818	78%	0.778	S	S	*	*			trans	47.8	60.9	141.1	57.2	0	0	0	0	120.7
784	G	27	Very low	33.3	Very low	82 Å²	82	132 Å²	132	85%	0.845	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-59.2	133.5	162.7	0	0	0	0	0	113.6	G782	G782-G784 PolarHBondContact O-N 2.98Å
785	K	28	Very low	35.9	Very low	202 Å²	202	135.2 Å²	135.2	88%	0.878	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-82.5	135.5	-169.4	-68.7	154.4	-175.3	158.6	0	112.8
786	K	26.4	Very low	38.7	Very low	198 Å²	198	130.8 Å²	130.8	86%	0.861	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-58.8	135.3	169.1	-67.7	176.4	-179.4	172.6	0	110.2
787	P	29.8	Very low	41.6	Very low	116 Å²	116	128.8 Å²	128.8	75%	0.753	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-65.5	149.9	173.5	27.6	-34.1	0	0	0	110.9
788	P	32.1	Very low	44.5	Very low	123 Å²	123	123.4 Å²	123.4	80%	0.799	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-61.7	146	180	-21.3	33.1	0	0	0	112.3	E790	P788-E790 PolarHBondContact O-N 3.05Å
789	S	34.3	Very low	47.3	Very low	107 Å²	107	121.9 Å²	121.9	75%	0.748	67%	0.672	S	S	*	*			trans	-65.8	113.8	171.3	39.1	0	0	0	0	110.6	M791	S789-M791 WeakPolarHBondContact O-CG 3.38Å; S789-M791 PolarHBondContact O-N 2.98Å; S789-M791 VanDerWaalsContact O-N 3.13Å
790	E	40.6	Very low	50	Low	168 Å²	168	120.9 Å²	120.9	79%	0.785	66%	0.661	S	S	*	*			trans	-57	119.2	173.3	-72.5	-171.9	120.9	0	0	109.7	P788 I792	P788-E790 PolarHBondContact O-N 3.05Å; E790-I792 PolarHBondContact O-N 3.11Å
791	M	51	Low	52.7	Low	96 Å²	96	111.6 Å²	111.6	47%	0.473	63%	0.627	S	S	.	*			trans	-81.1	82	-168.3	-58.3	-164.5	-51.8	0	0	111.5	S789 K793 S841 K842	S789-M791 WeakPolarHBondContact O-CG 3.38Å; S789-M791 PolarHBondContact O-N 2.98Å; S789-M791 VanDerWaalsContact O-N 3.13Å; M791-K793 PolarHBondContact O-N 2.73Å; M791-K793 VanDerWaalsContact O-N 3.13Å; M791-S841 WeakPolarHBondContact CE-O 2.89Å; M791-K842 HydrophobicContact CB-CB 4.17Å; M791-K842 HydrophobicContact CE-CB 3.89Å; M791-K842 HydrophobicContact SD-CB 3.95Å; M791-K842 PolarHBondContact SD-N 3.42Å
792	I	53.7	Low	55.7	Low	138 Å²	138	103.3 Å²	103.3	71%	0.708	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-55.2	117.9	174.8	-58.2	175.8	0	0	0	109.3	E790	E790-I792 PolarHBondContact O-N 3.11Å
793	K	52	Low	58.7	Low	149 Å²	149	102.5 Å²	102.5	65%	0.648	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-68.6	132.6	171.1	-67.7	179	-179	174.7	0	108.3	M791	M791-K793 PolarHBondContact O-N 2.73Å; M791-K793 VanDerWaalsContact O-N 3.13Å
794	P	68.8	Low	61.5	Low	27 Å²	27	97.2 Å²	97.2	18%	0.175	53%	0.525	C	S	.	.	P	Polyproline II helix	trans	-68.8	148.2	-178.5	29.1	-37.1	0	0	0	111.2	W796 D825 C826 K842	P794-W796 PolarHBondContact O-N 3.15Å; P794-D825 WeakPolarHBondContact CB-O 3.44Å; P794-D825 WeakPolarHBondContact CG-O 3.31Å; P794-C826 VanDerWaalsContact CB-C 3.42Å; P794-K842 VanDerWaalsContact CD-CE 3.47Å
795	V	76.7	Confident	64.6	Low	126 Å²	126	93.3 Å²	93.3	76%	0.764	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-66.7	118.4	166.8	-178.2	0	0	0	0	107.9
796	W	82.8	Confident	67.7	Low	120 Å²	120	83.7 Å²	83.7	46%	0.455	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-74.8	132.2	173	-82.1	30.6	0	0	0	109.9	P794 H822	P794-W796 PolarHBondContact O-N 3.15Å; W796-H822 HydrophobicContact CD2-CB 4.02Å; W796-H822 AromaticContact CD2-CG 4Å; W796-H822 HydrophobicContact CE3-CB 3.98Å; W796-H822 AromaticContact CE3-CD2 3.9Å; W796-H822 AromaticContact CE3-CE1 3.89Å; W796-H822 AromaticContact CE3-CG 3.58Å; W796-H822 AromaticContact CE3-ND1 3.73Å; W796-H822 HydrophobicContact CH2-CB 4.2Å; W796-H822 HydrophobicContact CZ2-CB 4.21Å; W796-H822 HydrophobicContact CZ3-CB 4.08Å; W796-H822 AromaticContact CZ3-CE1 3.45Å; W796-H822 VanDerWaalsContact CZ3-CE1 3.45Å; W796-H822 WeakPolarHBondContact CZ3-CE1 3.5Å; W796-H822 AromaticContact CZ3-CG 3.84Å; W796-H822 AromaticContact CZ3-ND1 3.66Å
797	L	84	Confident	70.8	Confident	38 Å²	38	74.2 Å²	74.2	20%	0.199	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-75.1	131.9	173.9	-66.9	-174.8	0	0	0	110.1	I801 L806 H822 G827 W828 L955	L797-I801 HydrophobicContact CB-CG2 4.16Å; L797-I801 HydrophobicContact CD2-CD1 4.49Å; L797-L806 HydrophobicContact CD1-CD1 3.45Å; L797-L806 VanDerWaalsContact CD1-CD1 3.45Å; L797-H822 PolarHBondContact O-CD2 2.85Å; L797-G827 PolarHBondContact N-O 2.99Å; L797-G827 VanDerWaalsContact N-O 3.12Å; L797-W828 HydrophobicContact CD1-CD2 4.41Å; L797-W828 HydrophobicContact CD1-CG 4.31Å; L797-L955 HydrophobicContact CD1-CD1 4.48Å
798	P	83.8	Confident	73.6	Confident	68 Å²	68	73.7 Å²	73.7	44%	0.442	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-60.2	140.8	177.4	-25.4	35.1	0	0	0	113.3	N800 I801	P798-N800 VanDerWaalsContact CB-OD1 3.29Å; P798-N800 WeakPolarHBondContact CB-OD1 3.38Å; P798-N800 PolarHBondContact O-N 3.11Å; P798-I801 WeakPolarHBondContact O-CB 3.33Å; P798-I801 VanDerWaalsContact O-CG2 3.23Å; P798-I801 WeakPolarHBondContact O-CG2 3.37Å; P798-I801 PolarHBondContact O-N 3.31Å
799	D	83.8	Confident	76.1	Confident	74 Å²	74	71.2 Å²	71.2	40%	0.396	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-53.7	-31.4	179.7	-75.7	66.3	0	0	0	114.1	R820 H822	D799-R820 PolarHBondContact O-NE 2.7Å; D799-R820 PolarHBondContact O-NH2 3.46Å; D799-R820 WeakPolarHBondContact OD2-CD 3.43Å; D799-H822 IonicContact OD1-NE2 3.46Å; D799-H822 PolarHBondContact OD1-NE2 2.96Å; D799-H822 IonicContact OD2-NE2 2.61Å; D799-H822 PolarHBondContact OD2-NE2 2.97Å; D799-H822 VanDerWaalsContact OD2-NE2 3.13Å
800	N	81.9	Confident	78.7	Confident	126 Å²	126	66.3 Å²	66.3	67%	0.674	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-84.7	-3	180	67	-28.8	0	0	0	114.6	P798 S802 A953	P798-N800 VanDerWaalsContact CB-OD1 3.29Å; P798-N800 WeakPolarHBondContact CB-OD1 3.38Å; P798-N800 PolarHBondContact O-N 3.11Å; N800-S802 PolarHBondContact O-N 3.41Å; N800-A953 WeakPolarHBondContact O-CB 3.38Å
801	I	85.1	Confident	80.8	Confident	29 Å²	29	62.9 Å²	62.9	15%	0.149	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-72.1	-19.9	178.9	-146.4	176.7	0	0	0	112.5	L797 P798 E954 L955	L797-I801 HydrophobicContact CB-CG2 4.16Å; L797-I801 HydrophobicContact CD2-CD1 4.49Å; P798-I801 WeakPolarHBondContact O-CB 3.33Å; P798-I801 VanDerWaalsContact O-CG2 3.23Å; P798-I801 WeakPolarHBondContact O-CG2 3.37Å; P798-I801 PolarHBondContact O-N 3.31Å; I801-E954 HydrophobicContact CG1-CB 4.1Å; I801-E954 WeakPolarHBondContact CG1-OE2 3.3Å; I801-E954 PolarHBondContact O-N 2.76Å; I801-L955 HydrophobicContact CD1-CD1 4.14Å; I801-L955 HydrophobicContact CD1-CG 4.42Å; I801-L955 HydrophobicContact CG1-CD1 4.26Å; I801-L955 HydrophobicContact CG1-CG 4.16Å; I801-L955 HydrophobicContact CG2-CD1 3.99Å; I801-L955 HydrophobicContact CG2-CG 4.47Å; I801-L955 PolarHBondContact O-N 3.22Å
802	S	88.8	Confident	82.7	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.331	C	S	.	.			trans	-150.6	150.1	171.3	-170.7	0	0	0	0	112.9	N800 E804 R820 D956	N800-S802 PolarHBondContact O-N 3.41Å; S802-E804 PolarHBondContact OG-N 3.38Å; S802-E804 VanDerWaalsContact OG-N 3.14Å; S802-E804 PolarHBondContact OG-O 3.1Å; S802-E804 VanDerWaalsContact OG-O 3.1Å; S802-R820 PolarHBondContact O-NE 2.97Å; S802-R820 PolarHBondContact O-NH2 2.83Å; S802-D956 WeakPolarHBondContact CA-OD1 3.39Å; S802-D956 WeakPolarHBondContact CB-OD1 3.4Å; S802-D956 PolarHBondContact OG-OD1 3.46Å
803	N	89.1	Confident	84.4	Confident	48 Å²	48	56.2 Å²	56.2	26%	0.257	31%	0.313	S	S	.	.	S	Bend	trans	-96.2	6.6	169.9	-61	-67.1	0	0	0	113.1	E813 F814 R820 K952 A953 D956	N803-E813 CarbonylContact O-C 3.51Å; N803-E813 WeakPolarHBondContact O-CA 3.49Å; N803-F814 VanDerWaalsContact C-CD2 3.47Å; N803-F814 PolarHBondContact O-N 2.97Å; N803-R820 PolarHBondContact OD1-NH2 3.48Å; N803-K952 VanDerWaalsContact ND2-CB 3.3Å; N803-K952 WeakPolarHBondContact ND2-CB 3.48Å; N803-A953 WeakPolarHBondContact ND2-CB 3.18Å; N803-A953 PolarHBondContact ND2-N 3.48Å; N803-D956 PolarHBondContact N-OD1 2.98Å; N803-D956 PolarHBondContact ND2-OD2 3.23Å
804	E	91.3	Very high	86.3	Confident	6 Å²	6	49.9 Å²	49.9	3%	0.028	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-147.8	165.4	-178.5	52.2	168.6	-131.1	0	0	112.9	S802 L806 T812 F814 R911 D956 S957	S802-E804 PolarHBondContact OG-N 3.38Å; S802-E804 VanDerWaalsContact OG-N 3.14Å; S802-E804 PolarHBondContact OG-O 3.1Å; S802-E804 VanDerWaalsContact OG-O 3.1Å; E804-L806 PolarHBondContact O-N 2.88Å; E804-T812 VanDerWaalsContact CA-O 3.32Å; E804-T812 WeakPolarHBondContact CA-O 3.4Å; E804-F814 WeakPolarHBondContact O-CE2 3.42Å; E804-R911 IonicContact OE1-CZ 2.89Å; E804-R911 IonicContact OE1-NH1 3.03Å; E804-R911 PolarHBondContact OE1-NH1 3.44Å; E804-R911 IonicContact OE1-NH2 3.39Å; E804-R911 PolarHBondContact OE1-NH2 3.06Å; E804-D956 HydrophobicContact CG-CB 4.45Å; E804-S957 VanDerWaalsContact OE1-CB 3.24Å; E804-S957 WeakPolarHBondContact OE1-CB 3.25Å; E804-S957 PolarHBondContact OE1-N 3.27Å; E804-S957 PolarHBondContact OE1-OG 3.49Å; E804-S957 PolarHBondContact OE2-OG 3.42Å
805	C	92.6	Very high	87	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.299	C	S	.	.			trans	-59.8	126.2	179.5	-167.6	0	0	0	0	112	M807 C810 T812 C831 R911	C805-M807 PolarHBondContact O-N 2.78Å; C805-C810 HydrophobicContact CB-CB 4.01Å; C805-C810 VanDerWaalsContact CB-SG 3.52Å; C805-C810 VanDerWaalsContact SG-SG 3.68Å; C805-T812 PolarHBondContact N-O 3.34Å; C805-C831 HydrophobicContact CB-CB 4.04Å; C805-C831 PolarHBondContact SG-N 3.34Å; C805-R911 PolarHBondContact O-NH2 3.34Å
806	L	92.7	Very high	87.1	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.299	C	S	.	.			trans	-80	11	-179.4	-62.1	178.2	0	0	0	114.5	L797 E804 W828 L829 R911 L955	L797-L806 HydrophobicContact CD1-CD1 3.45Å; L797-L806 VanDerWaalsContact CD1-CD1 3.45Å; E804-L806 PolarHBondContact O-N 2.88Å; L806-W828 HydrophobicContact CB-CE3 3.53Å; L806-W828 HydrophobicContact CB-CZ3 3.84Å; L806-W828 HydrophobicContact CD1-CE3 4.29Å; L806-W828 VanDerWaalsContact O-CZ3 3.3Å; L806-W828 WeakPolarHBondContact O-CZ3 3.29Å; L806-L829 WeakPolarHBondContact CB-O 3.15Å; L806-L829 HydrophobicContact CD1-CB 3.79Å; L806-L829 HydrophobicContact CG-CB 4.25Å; L806-L829 PolarHBondContact N-O 3.42Å; L806-R911 VanDerWaalsContact O-CB 3.23Å; L806-R911 WeakPolarHBondContact O-CB 3.47Å; L806-R911 PolarHBondContact O-N 3.24Å; L806-R911 VanDerWaalsContact O-N 3.13Å; L806-L955 HydrophobicContact CD1-CD1 3.92Å; L806-L955 HydrophobicContact CD2-CB 3.63Å; L806-L955 HydrophobicContact CD2-CD1 3.99Å; L806-L955 HydrophobicContact CD2-CG 4.47Å
807	M	92.2	Very high	86.8	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-81.2	138.8	171	-56.1	-49.5	-70.3	0	0	110.2	C805 C810 I830 C834 C851 E853 F908 R909	C805-M807 PolarHBondContact O-N 2.78Å; M807-C810 HydrophobicContact CB-CB 4Å; M807-C810 WeakPolarHBondContact O-CB 3.45Å; M807-C810 PolarHBondContact O-N 2.72Å; M807-C810 VanDerWaalsContact O-N 3.13Å; M807-I830 HydrophobicContact CG-CG2 3.88Å; M807-I830 HydrophobicContact SD-CG2 3.69Å; M807-C834 HydrophobicContact CB-CB 4.47Å; M807-C834 HydrophobicContact CG-CB 3.61Å; M807-C834 VanDerWaalsContact CG-SG 3.59Å; M807-C851 HydrophobicContact CE-CB 3.99Å; M807-C851 HydrophobicContact SD-CB 3.72Å; M807-E853 HydrophobicContact CE-CB 4.4Å; M807-F908 HydrophobicContact CB-CB 4.25Å; M807-F908 HydrophobicContact CB-CD2 4.35Å; M807-F908 HydrophobicContact CE-CB 4.38Å; M807-F908 WeakPolarHBondContact CE-O 3.32Å; M807-R909 WeakPolarHBondContact CA-O 3.29Å; M807-R909 VanDerWaalsContact CE-C 3.48Å; M807-R909 VanDerWaalsContact CE-O 3.3Å; M807-R909 WeakPolarHBondContact CE-O 3.4Å
808	E	88.1	Confident	86.9	Confident	104 Å²	104	54 Å²	54	49%	0.486	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	143.1	169.8	-170	164.1	-128.5	0	0	110.4	C810 F908 R909	E808-C810 PolarHBondContact O-N 3.22Å; E808-C810 VanDerWaalsContact O-N 3.12Å; E808-F908 WeakPolarHBondContact O-CD2 3.36Å; E808-R909 WeakPolarHBondContact CB-O 3.49Å; E808-R909 PolarHBondContact N-O 3.16Å
809	G	83.9	Confident	87	Confident	72 Å²	72	59 Å²	59	74%	0.742	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	-4.3	-172.2	0	0	0	0	0	115.6
810	C	90.2	Very high	87.3	Confident	4 Å²	4	58.9 Å²	58.9	3%	0.027	31%	0.312	C	S	.	.			trans	-105.8	115.2	179.2	-164.3	0	0	0	0	112.7	C805 M807 E808 T812 C834 F908 R911	C805-C810 HydrophobicContact CB-CB 4.01Å; C805-C810 VanDerWaalsContact CB-SG 3.52Å; C805-C810 VanDerWaalsContact SG-SG 3.68Å; M807-C810 HydrophobicContact CB-CB 4Å; M807-C810 WeakPolarHBondContact O-CB 3.45Å; M807-C810 PolarHBondContact O-N 2.72Å; M807-C810 VanDerWaalsContact O-N 3.13Å; E808-C810 PolarHBondContact O-N 3.22Å; E808-C810 VanDerWaalsContact O-N 3.12Å; C810-T812 PolarHBondContact SG-OG1 3.01Å; C810-T812 VanDerWaalsContact SG-OG1 3.36Å; C810-C834 VanDerWaalsContact SG-SG 3.61Å; C810-F908 HydrophobicContact CB-CD2 4.08Å; C810-F908 HydrophobicContact CB-CE2 4.09Å; C810-R911 PolarHBondContact O-NH2 2.78Å
811	S	84.7	Confident	87.8	Confident	95 Å²	95	55.1 Å²	55.1	66%	0.664	29%	0.29	S	S	*	.			trans	-103.8	23.6	177.4	53.6	0	0	0	0	113.5	E813	S811-E813 PolarHBondContact O-N 3.1Å
812	T	90.4	Very high	88.2	Confident	24 Å²	24	55 Å²	55	15%	0.147	29%	0.289	C	S	.	.			trans	-71.9	101.8	-179.3	-56.9	0	0	0	0	111	E804 C805 C810 N818 C831 F833	E804-T812 VanDerWaalsContact CA-O 3.32Å; E804-T812 WeakPolarHBondContact CA-O 3.4Å; C805-T812 PolarHBondContact N-O 3.34Å; C810-T812 PolarHBondContact SG-OG1 3.01Å; C810-T812 VanDerWaalsContact SG-OG1 3.36Å; T812-N818 HydrophobicContact CG2-CB 4.22Å; T812-N818 WeakPolarHBondContact CG2-ND2 3.29Å; T812-C831 HydrophobicContact CG2-CB 3.65Å; T812-F833 HydrophobicContact CG2-CD2 4.38Å; T812-F833 HydrophobicContact CG2-CE2 4.47Å
813	E	90.3	Very high	88.5	Confident	71 Å²	71	55 Å²	55	33%	0.332	29%	0.289	S	S	.	.	B	Isolated β-bridge	trans	-61.5	138.2	168.7	-65.3	-167.5	-144.6	0	0	110.9	N803 S811 N818 K952 K958	N803-E813 CarbonylContact O-C 3.51Å; N803-E813 WeakPolarHBondContact O-CA 3.49Å; S811-E813 PolarHBondContact O-N 3.1Å; E813-N818 WeakPolarHBondContact O-CB 3.3Å; E813-N818 PolarHBondContact O-ND2 3.26Å; E813-K952 IonicContact OE2-NZ 3.01Å; E813-K952 PolarHBondContact OE2-NZ 2.82Å; E813-K958 IonicContact OE1-NZ 3.84Å; E813-K958 PolarHBondContact OE1-NZ 3.28Å
814	F	90.4	Very high	88.7	Confident	16 Å²	16	55.4 Å²	55.4	7%	0.07	29%	0.287	C	S	.	.			trans	-85	130.2	177.9	-66.4	-53.9	0	0	0	111.3	N803 E804 N818 R820 L829 C831	N803-F814 VanDerWaalsContact C-CD2 3.47Å; N803-F814 PolarHBondContact O-N 2.97Å; E804-F814 WeakPolarHBondContact O-CE2 3.42Å; F814-N818 VanDerWaalsContact CA-O 3.28Å; F814-N818 WeakPolarHBondContact CA-O 3.36Å; F814-N818 WeakPolarHBondContact CD1-O 3.35Å; F814-R820 HydrophobicContact CB-CG 4Å; F814-R820 HydrophobicContact CD1-CB 4.47Å; F814-R820 HydrophobicContact CD1-CG 3.74Å; F814-R820 HydrophobicContact CD2-CG 3.59Å; F814-R820 HydrophobicContact CE1-CB 4.49Å; F814-R820 HydrophobicContact CE1-CG 4.04Å; F814-R820 HydrophobicContact CE2-CG 3.9Å; F814-R820 HydrophobicContact CG-CG 3.52Å; F814-R820 HydrophobicContact CZ-CG 4.13Å; F814-L829 HydrophobicContact CD2-CD2 4.27Å; F814-L829 HydrophobicContact CE2-CD2 3.6Å; F814-L829 HydrophobicContact CE2-CG 3.67Å; F814-L829 HydrophobicContact CZ-CD2 4.32Å; F814-L829 HydrophobicContact CZ-CG 3.86Å; F814-C831 HydrophobicContact CE1-CB 4.04Å
815	N	84.5	Confident	88.7	Confident	83 Å²	83	56.1 Å²	56.1	44%	0.444	29%	0.291	S	S	.	.	S	Bend	trans	-154.2	-168.9	178.1	60.9	41.9	0	0	0	110	I817 N818 R819	N815-I817 PolarHBondContact O-N 3.03Å; N815-I817 WeakPolarHBondContact OD1-CA 3.27Å; N815-I817 WeakPolarHBondContact OD1-CB 3.35Å; N815-I817 PolarHBondContact OD1-N 3.34Å; N815-N818 PolarHBondContact N-O 3.3Å; N815-N818 CarbonylContact O-C 3.53Å; N815-N818 PolarHBondContact O-N 3.17Å; N815-N818 VanDerWaalsContact O-O 3.09Å; N815-N818 PolarHBondContact OD1-N 3.34Å; N815-R819 PolarHBondContact O-N 3.35Å
816	I	78.3	Confident	88.7	Confident	149 Å²	149	57.4 Å²	57.4	76%	0.764	30%	0.3	S	S	*	.	S	Bend	trans	-57.5	-33.4	-177.7	-58.1	174.9	0	0	0	112	R819	I816-R819 WeakPolarHBondContact O-CG 3.3Å; I816-R819 PolarHBondContact O-NE 3.33Å
817	I	77.5	Confident	88.6	Confident	136 Å²	136	57.4 Å²	57.4	70%	0.697	30%	0.3	S	S	*	.	S	Bend	trans	-86.8	-45.9	179.6	-53.7	173.8	0	0	0	110.8	N815 R819	N815-I817 PolarHBondContact O-N 3.03Å; N815-I817 WeakPolarHBondContact OD1-CA 3.27Å; N815-I817 WeakPolarHBondContact OD1-CB 3.35Å; N815-I817 PolarHBondContact OD1-N 3.34Å; I817-R819 PolarHBondContact O-N 2.99Å
818	N	85.4	Confident	88.6	Confident	29 Å²	29	59.8 Å²	59.8	16%	0.155	31%	0.309	C	S	.	.	S	Bend	trans	-94.1	75	176.7	-71.8	-20.6	0	0	0	109.9	T812 E813 F814 N815 K832	T812-N818 HydrophobicContact CG2-CB 4.22Å; T812-N818 WeakPolarHBondContact CG2-ND2 3.29Å; E813-N818 WeakPolarHBondContact O-CB 3.3Å; E813-N818 PolarHBondContact O-ND2 3.26Å; F814-N818 VanDerWaalsContact CA-O 3.28Å; F814-N818 WeakPolarHBondContact CA-O 3.36Å; F814-N818 WeakPolarHBondContact CD1-O 3.35Å; N815-N818 PolarHBondContact N-O 3.3Å; N815-N818 CarbonylContact O-C 3.53Å; N815-N818 PolarHBondContact O-N 3.17Å; N815-N818 VanDerWaalsContact O-O 3.09Å; N815-N818 PolarHBondContact OD1-N 3.34Å; N818-K832 WeakPolarHBondContact OD1-CE 3.46Å; N818-K832 PolarHBondContact OD1-NZ 2.96Å
819	R	85.3	Confident	88.8	Confident	174 Å²	174	54.8 Å²	54.8	66%	0.657	29%	0.286	S	S	*	.			trans	-66.3	148.2	180	-61.5	-173.2	-178.6	-168.8	-0.1	112	N815 I816 I817	N815-R819 PolarHBondContact O-N 3.35Å; I816-R819 WeakPolarHBondContact O-CG 3.3Å; I816-R819 PolarHBondContact O-NE 3.33Å; I817-R819 PolarHBondContact O-N 2.99Å
820	R	90.4	Very high	89.3	Confident	71 Å²	71	51.4 Å²	51.4	27%	0.268	25%	0.25	S	S	.	.			trans	-66.9	143.4	174.9	-74.6	170.9	171.6	88.1	-4.3	111.9	D799 S802 N803 F814 L829	D799-R820 PolarHBondContact O-NE 2.7Å; D799-R820 PolarHBondContact O-NH2 3.46Å; D799-R820 WeakPolarHBondContact OD2-CD 3.43Å; S802-R820 PolarHBondContact O-NE 2.97Å; S802-R820 PolarHBondContact O-NH2 2.83Å; N803-R820 PolarHBondContact OD1-NH2 3.48Å; F814-R820 HydrophobicContact CB-CG 4Å; F814-R820 HydrophobicContact CD1-CB 4.47Å; F814-R820 HydrophobicContact CD1-CG 3.74Å; F814-R820 HydrophobicContact CD2-CG 3.59Å; F814-R820 HydrophobicContact CE1-CB 4.49Å; F814-R820 HydrophobicContact CE1-CG 4.04Å; F814-R820 HydrophobicContact CE2-CG 3.9Å; F814-R820 HydrophobicContact CG-CG 3.52Å; F814-R820 HydrophobicContact CZ-CG 4.13Å; R820-L829 HydrophobicContact CB-CD1 3.93Å; R820-L829 HydrophobicContact CG-CD1 4.12Å; R820-L829 HydrophobicContact CG-CD2 4.29Å; R820-L829 HydrophobicContact CG-CG 4.31Å
821	H	93.1	Very high	89.5	Confident	46 Å²	46	51.2 Å²	51.2	21%	0.213	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	139.9	173.3	-54.9	-34.8	0	0	0	110.4	I830	H821-I830 HydrophobicContact CB-CG1 4.14Å; H821-I830 WeakPolarHBondContact CB-O 3.27Å; H821-I830 PolarHBondContact N-O 3.14Å; H821-I830 VanDerWaalsContact O-CG1 3.3Å; H821-I830 WeakPolarHBondContact O-CG1 3.25Å; H821-I830 PolarHBondContact O-N 3.34Å
822	H	93.2	Very high	90	Very high	27 Å²	27	50.8 Å²	50.8	13%	0.125	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	135.3	173.7	-59.2	86.6	0	0	0	111.5	W796 L797 D799 R824 W828	W796-H822 HydrophobicContact CD2-CB 4.02Å; W796-H822 AromaticContact CD2-CG 4Å; W796-H822 HydrophobicContact CE3-CB 3.98Å; W796-H822 AromaticContact CE3-CD2 3.9Å; W796-H822 AromaticContact CE3-CE1 3.89Å; W796-H822 AromaticContact CE3-CG 3.58Å; W796-H822 AromaticContact CE3-ND1 3.73Å; W796-H822 HydrophobicContact CH2-CB 4.2Å; W796-H822 HydrophobicContact CZ2-CB 4.21Å; W796-H822 HydrophobicContact CZ3-CB 4.08Å; W796-H822 AromaticContact CZ3-CE1 3.45Å; W796-H822 VanDerWaalsContact CZ3-CE1 3.45Å; W796-H822 WeakPolarHBondContact CZ3-CE1 3.5Å; W796-H822 AromaticContact CZ3-CG 3.84Å; W796-H822 AromaticContact CZ3-ND1 3.66Å; L797-H822 PolarHBondContact O-CD2 2.85Å; D799-H822 IonicContact OD1-NE2 3.46Å; D799-H822 PolarHBondContact OD1-NE2 2.96Å; D799-H822 IonicContact OD2-NE2 2.61Å; D799-H822 PolarHBondContact OD2-NE2 2.97Å; D799-H822 VanDerWaalsContact OD2-NE2 3.13Å; H822-R824 WeakPolarHBondContact O-CD 3.25Å; H822-R824 PolarHBondContact O-N 2.62Å; H822-R824 PolarHBondContact O-NH1 2.99Å; H822-W828 CarbonylContact C-O 3.16Å; H822-W828 WeakPolarHBondContact CA-O 3.49Å
823	C	94.6	Very high	90.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	24%	0.244	C	C	.	.			trans	-65.9	123.9	164.3	178.2	0	0	0	0	109.7	D825 C826 G827 W828 I830 C851	C823-D825 PolarHBondContact O-N 3.27Å; C823-D825 PolarHBondContact SG-N 2.76Å; C823-D825 VanDerWaalsContact SG-N 3.39Å; C823-C826 WeakPolarHBondContact CB-SG 3.47Å; C823-C826 PolarHBondContact SG-N 3.05Å; C823-C826 VanDerWaalsContact SG-N 3.44Å; C823-C826 PolarHBondContact SG-SG 3.38Å; C823-G827 VanDerWaalsContact O-CA 3.22Å; C823-G827 WeakPolarHBondContact O-CA 3.46Å; C823-G827 PolarHBondContact O-N 3.41Å; C823-W828 PolarHBondContact N-O 2.92Å; C823-I830 HydrophobicContact CB-CD1 4.47Å; C823-C851 HydrophobicContact CB-CB 4.11Å; C823-C851 PolarHBondContact SG-N 3.3Å; C823-C851 VanDerWaalsContact SG-SG 3.64Å
824	R	93.4	Very high	90.5	Very high	57 Å²	57	49.8 Å²	49.8	22%	0.215	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-15.3	178.1	-82.6	56.4	168.9	164.6	7	112.8	H822 L840 K842 Y843 Q848 N849	H822-R824 WeakPolarHBondContact O-CD 3.25Å; H822-R824 PolarHBondContact O-N 2.62Å; H822-R824 PolarHBondContact O-NH1 2.99Å; R824-L840 HydrophobicContact CB-CD1 3.94Å; R824-K842 WeakPolarHBondContact O-CE 3.24Å; R824-Y843 HydrophobicContact CB-CE2 4.01Å; R824-Q848 HydrophobicContact CB-CB 4.02Å; R824-Q848 HydrophobicContact CG-CB 4.29Å; R824-N849 WeakPolarHBondContact CB-O 3.31Å; R824-N849 PolarHBondContact N-O 2.87Å
825	D	91.9	Very high	90.7	Very high	20 Å²	20	52.3 Å²	52.3	11%	0.107	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-44.9	179.4	-166.5	44.5	0	0	0	113.8	P794 C823 L840 K842 V850 C854 R857 H858	P794-D825 WeakPolarHBondContact CB-O 3.44Å; P794-D825 WeakPolarHBondContact CG-O 3.31Å; C823-D825 PolarHBondContact O-N 3.27Å; C823-D825 PolarHBondContact SG-N 2.76Å; C823-D825 VanDerWaalsContact SG-N 3.39Å; D825-L840 HydrophobicContact CB-CD1 3.99Å; D825-L840 HydrophobicContact CB-CD2 3.98Å; D825-K842 WeakPolarHBondContact O-CE 3.49Å; D825-K842 PolarHBondContact O-NZ 3.02Å; D825-K842 WeakPolarHBondContact OD1-CE 3.49Å; D825-K842 IonicContact OD1-NZ 3.2Å; D825-K842 PolarHBondContact OD1-NZ 2.89Å; D825-V850 HydrophobicContact CB-CG1 4.12Å; D825-C854 HydrophobicContact CB-CB 4.06Å; D825-C854 PolarHBondContact OD2-SG 3.17Å; D825-R857 IonicContact OD2-NH1 2.75Å; D825-H858 VanDerWaalsContact CG-NE2 3.26Å; D825-H858 IonicContact OD1-NE2 3.93Å; D825-H858 IonicContact OD2-CD2 2.62Å; D825-H858 IonicContact OD2-CE1 3.43Å; D825-H858 IonicContact OD2-NE2 3.06Å; D825-H858 PolarHBondContact OD2-NE2 3.37Å
826	C	91.3	Very high	91.3	Very high	27 Å²	27	48.3 Å²	48.3	18%	0.182	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-9.9	-177.8	67.4	0	0	0	0	115.5	P794 C823 C851 H910	P794-C826 VanDerWaalsContact CB-C 3.42Å; C823-C826 WeakPolarHBondContact CB-SG 3.47Å; C823-C826 PolarHBondContact SG-N 3.05Å; C823-C826 VanDerWaalsContact SG-N 3.44Å; C823-C826 PolarHBondContact SG-SG 3.38Å; C826-C851 VanDerWaalsContact SG-SG 3.68Å; C826-H910 PolarHBondContact SG-NE2 2.98Å
827	G	90.9	Very high	92.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	19%	0.192	C	C	.	.			trans	84.5	-1.3	179.7	0	0	0	0	0	116.1	L797 C823	L797-G827 PolarHBondContact N-O 2.99Å; L797-G827 VanDerWaalsContact N-O 3.12Å; C823-G827 VanDerWaalsContact O-CA 3.22Å; C823-G827 WeakPolarHBondContact O-CA 3.46Å; C823-G827 PolarHBondContact O-N 3.41Å
828	W	92.1	Very high	93	Very high	50 Å²	50	37 Å²	37	19%	0.189	16%	0.159	C	C	.	.			trans	-72.4	147.3	-173.4	-77.6	51.4	0	0	0	114.4	L797 L806 H822 C823 H910 R911 V913	L797-W828 HydrophobicContact CD1-CD2 4.41Å; L797-W828 HydrophobicContact CD1-CG 4.31Å; L806-W828 HydrophobicContact CB-CE3 3.53Å; L806-W828 HydrophobicContact CB-CZ3 3.84Å; L806-W828 HydrophobicContact CD1-CE3 4.29Å; L806-W828 VanDerWaalsContact O-CZ3 3.3Å; L806-W828 WeakPolarHBondContact O-CZ3 3.29Å; H822-W828 CarbonylContact C-O 3.16Å; H822-W828 WeakPolarHBondContact CA-O 3.49Å; C823-W828 PolarHBondContact N-O 2.92Å; W828-H910 HydrophobicContact CD2-CB 4.32Å; W828-H910 AromaticContact CD2-CD2 3.3Å; W828-H910 AromaticContact CE2-CD2 3.75Å; W828-H910 HydrophobicContact CE3-CB 4.02Å; W828-H910 AromaticContact CE3-CD2 3.49Å; W828-H910 VanDerWaalsContact CE3-CD2 3.49Å; W828-H910 AromaticContact CG-CD2 3.62Å; W828-H910 AromaticContact CG-NE2 3.98Å; W828-H910 HydrophobicContact CH2-CB 3.7Å; W828-H910 HydrophobicContact CZ2-CB 3.96Å; W828-H910 HydrophobicContact CZ3-CB 3.71Å; W828-R911 VanDerWaalsContact CH2-O 3.25Å; W828-R911 WeakPolarHBondContact CH2-O 3.29Å; W828-R911 HydrophobicContact CZ3-CB 4.49Å; W828-V913 HydrophobicContact CH2-CG2 3.81Å; W828-V913 HydrophobicContact CZ3-CG2 4.36Å
829	L	92.8	Very high	93.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	113.9	-179.1	-159.1	68.9	0	0	0	111	L806 F814 R820	L806-L829 WeakPolarHBondContact CB-O 3.15Å; L806-L829 HydrophobicContact CD1-CB 3.79Å; L806-L829 HydrophobicContact CG-CB 4.25Å; L806-L829 PolarHBondContact N-O 3.42Å; F814-L829 HydrophobicContact CD2-CD2 4.27Å; F814-L829 HydrophobicContact CE2-CD2 3.6Å; F814-L829 HydrophobicContact CE2-CG 3.67Å; F814-L829 HydrophobicContact CZ-CD2 4.32Å; F814-L829 HydrophobicContact CZ-CG 3.86Å; R820-L829 HydrophobicContact CB-CD1 3.93Å; R820-L829 HydrophobicContact CG-CD1 4.12Å; R820-L829 HydrophobicContact CG-CD2 4.29Å; R820-L829 HydrophobicContact CG-CG 4.31Å
830	I	95.3	Very high	93.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	154.5	-171.2	60.9	177.5	0	0	0	112.5	M807 H821 C823 C834 K835 V850 C851	M807-I830 HydrophobicContact CG-CG2 3.88Å; M807-I830 HydrophobicContact SD-CG2 3.69Å; H821-I830 HydrophobicContact CB-CG1 4.14Å; H821-I830 WeakPolarHBondContact CB-O 3.27Å; H821-I830 PolarHBondContact N-O 3.14Å; H821-I830 VanDerWaalsContact O-CG1 3.3Å; H821-I830 WeakPolarHBondContact O-CG1 3.25Å; H821-I830 PolarHBondContact O-N 3.34Å; C823-I830 HydrophobicContact CB-CD1 4.47Å; I830-C834 HydrophobicContact CB-CB 4.16Å; I830-K835 HydrophobicContact CD1-CB 4.13Å; I830-V850 WeakPolarHBondContact CD1-O 3.38Å; I830-C851 HydrophobicContact CD1-CB 3.92Å; I830-C851 HydrophobicContact CG2-CB 3.92Å
831	C	94.6	Very high	93.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.124	C	C	.	.			trans	-85.3	171	175	75.2	0	0	0	0	112.6	C805 T812 F814 F833 C834 K835	C805-C831 HydrophobicContact CB-CB 4.04Å; C805-C831 PolarHBondContact SG-N 3.34Å; T812-C831 HydrophobicContact CG2-CB 3.65Å; F814-C831 HydrophobicContact CE1-CB 4.04Å; C831-F833 PolarHBondContact O-N 3.2Å; C831-F833 VanDerWaalsContact O-N 3.14Å; C831-C834 PolarHBondContact O-N 2.83Å; C831-K835 WeakPolarHBondContact O-CB 3.41Å; C831-K835 PolarHBondContact O-N 2.82Å; C831-K835 VanDerWaalsContact O-N 3.11Å
832	K	94	Very high	93.3	Very high	86 Å²	86	26.1 Å²	26.1	37%	0.374	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-26.7	177.7	72.4	-165.2	-175.2	-156.5	0	114.6	N818	N818-K832 WeakPolarHBondContact OD1-CE 3.46Å; N818-K832 PolarHBondContact OD1-NZ 2.96Å
833	F	94.9	Very high	93	Very high	74 Å²	74	28.2 Å²	28.2	33%	0.325	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-35.9	179.8	-54.4	-70.1	0	0	0	112.7	T812 C831 K835 P903 V904 N905	T812-F833 HydrophobicContact CG2-CD2 4.38Å; T812-F833 HydrophobicContact CG2-CE2 4.47Å; C831-F833 PolarHBondContact O-N 3.2Å; C831-F833 VanDerWaalsContact O-N 3.14Å; F833-K835 VanDerWaalsContact C-N 3.33Å; F833-P903 WeakPolarHBondContact O-CB 3.46Å; F833-V904 HydrophobicContact CB-CB 4.23Å; F833-V904 HydrophobicContact CD1-CB 4.37Å; F833-V904 HydrophobicContact CD1-CG1 4.49Å; F833-V904 HydrophobicContact CD1-CG2 4.34Å; F833-V904 PolarHBondContact O-N 2.9Å; F833-N905 PolarHBondContact O-N 3.25Å
834	C	95.7	Very high	92.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-4.8	175.1	-67.9	0	0	0	0	113.9	M807 C810 I830 C831 G836 C851 S852	M807-C834 HydrophobicContact CB-CB 4.47Å; M807-C834 HydrophobicContact CG-CB 3.61Å; M807-C834 VanDerWaalsContact CG-SG 3.59Å; C810-C834 VanDerWaalsContact SG-SG 3.61Å; I830-C834 HydrophobicContact CB-CB 4.16Å; C831-C834 PolarHBondContact O-N 2.83Å; C834-G836 PolarHBondContact O-N 2.81Å; C834-C851 WeakPolarHBondContact O-CA 3.44Å; C834-S852 PolarHBondContact O-N 3.07Å
835	K	95.8	Very high	92.7	Very high	69 Å²	69	30 Å²	30	30%	0.3	14%	0.142	S	C	.	.			trans	-84.2	102.4	178.9	177.6	-155.7	169.4	-173.6	0	111	I830 C831 F833 N849 V850	I830-K835 HydrophobicContact CD1-CB 4.13Å; C831-K835 WeakPolarHBondContact O-CB 3.41Å; C831-K835 PolarHBondContact O-N 2.82Å; C831-K835 VanDerWaalsContact O-N 3.11Å; F833-K835 VanDerWaalsContact C-N 3.33Å; K835-N849 WeakPolarHBondContact CE-OD1 3.31Å; K835-N849 HydrophobicContact CG-CB 4.32Å; K835-V850 CarbonylContact C-O 3.31Å; K835-V850 WeakPolarHBondContact CA-O 3.48Å
836	G	95.9	Very high	92.6	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-175.9	162.1	0	0	0	0	0	112.4	C834 N849 V850 K901	C834-G836 PolarHBondContact O-N 2.81Å; G836-N849 WeakPolarHBondContact O-CA 3.38Å; G836-V850 PolarHBondContact N-O 3.02Å; G836-V850 PolarHBondContact O-N 3.2Å; G836-K901 CarbonylContact C-O 3.4Å; G836-K901 VanDerWaalsContact CA-O 3.24Å; G836-K901 WeakPolarHBondContact CA-O 3.5Å
837	Q	97.1	Very high	92.7	Very high	48 Å²	48	33.1 Å²	33.1	22%	0.224	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	136.3	167	-53.4	-179	-76.4	0	0	110.2	K847 Q848 N849 F855 F900 K901	Q837-K847 HydrophobicContact CB-CD 4.33Å; Q837-K847 HydrophobicContact CB-CG 3.84Å; Q837-Q848 CarbonylContact C-O 3.49Å; Q837-Q848 WeakPolarHBondContact CA-O 3.41Å; Q837-N849 PolarHBondContact NE2-OD1 3.06Å; Q837-F855 WeakPolarHBondContact O-CD2 3.2Å; Q837-F855 VanDerWaalsContact O-CE2 3.23Å; Q837-F855 WeakPolarHBondContact O-CE2 3.45Å; Q837-F900 CarbonylContact O-C 3.5Å; Q837-F900 WeakPolarHBondContact O-CA 3.25Å; Q837-K901 HydrophobicContact CB-CB 4.08Å; Q837-K901 HydrophobicContact CG-CB 4.36Å; Q837-K901 PolarHBondContact N-O 3.25Å; Q837-K901 PolarHBondContact O-N 3.33Å
838	A	95.4	Very high	92.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	153.7	178.7	0	0	0	0	0	110.6	Q848 V850 F855 H858 F900	A838-Q848 PolarHBondContact N-O 2.74Å; A838-Q848 PolarHBondContact O-N 3.45Å; A838-V850 HydrophobicContact CB-CG1 4.38Å; A838-V850 HydrophobicContact CB-CG2 3.86Å; A838-F855 HydrophobicContact CB-CD2 4.23Å; A838-H858 HydrophobicContact CB-CB 4.13Å; A838-F900 HydrophobicContact CB-CD1 4.05Å; A838-F900 HydrophobicContact CB-CE1 3.98Å
839	P	94.3	Very high	93	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	131.8	169.7	27.7	-29.4	0	0	0	110.1	F845 T846 L867 F868 L899 F900	P839-F845 WeakPolarHBondContact CB-O 3.5Å; P839-T846 WeakPolarHBondContact CA-O 3.38Å; P839-L867 HydrophobicContact CG-CD2 3.96Å; P839-F868 HydrophobicContact CB-CE1 4.26Å; P839-F868 HydrophobicContact CB-CZ 4.18Å; P839-F868 HydrophobicContact CG-CE1 4.34Å; P839-F868 HydrophobicContact CG-CZ 3.78Å; P839-L899 HydrophobicContact CB-CB 4Å; P839-L899 HydrophobicContact CB-CD1 4.01Å; P839-L899 HydrophobicContact CG-CB 3.81Å; P839-L899 HydrophobicContact CG-CD1 4.28Å; P839-F900 HydrophobicContact CG-CE1 4.26Å; P839-F900 HydrophobicContact CG-CE2 3.9Å; P839-F900 HydrophobicContact CG-CZ 3.72Å
840	L	92.3	Very high	93.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.163	C	C	.	.			trans	-119.9	126.4	179.8	-64.3	-178.3	0	0	0	110.6	R824 D825 K842 Y843 F845 T846 Q848 V850 H858	R824-L840 HydrophobicContact CB-CD1 3.94Å; D825-L840 HydrophobicContact CB-CD1 3.99Å; D825-L840 HydrophobicContact CB-CD2 3.98Å; L840-K842 PolarHBondContact O-N 3.5Å; L840-Y843 HydrophobicContact CB-CD2 4Å; L840-Y843 HydrophobicContact CD1-CD2 3.97Å; L840-Y843 HydrophobicContact CD1-CE2 4.01Å; L840-Y843 PolarHBondContact O-N 2.88Å; L840-F845 VanDerWaalsContact O-CA 3.26Å; L840-F845 WeakPolarHBondContact O-CA 3.35Å; L840-F845 PolarHBondContact O-N 3.28Å; L840-T846 PolarHBondContact N-O 2.74Å; L840-Q848 HydrophobicContact CD1-CB 3.69Å; L840-Q848 HydrophobicContact CD1-CG 4.23Å; L840-Q848 HydrophobicContact CG-CB 4.07Å; L840-V850 HydrophobicContact CD1-CG1 4.26Å; L840-V850 HydrophobicContact CD2-CG1 4.17Å; L840-V850 HydrophobicContact CG-CG1 4.5Å; L840-H858 VanDerWaalsContact CD2-CD2 3.43Å; L840-H858 WeakPolarHBondContact CD2-CD2 3.49Å; L840-H858 VanDerWaalsContact CD2-NE2 3.31Å; L840-H858 WeakPolarHBondContact CD2-NE2 3.3Å
841	S	87.4	Confident	93.3	Very high	49 Å²	49	34.1 Å²	34.1	34%	0.343	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-47.5	-45.3	169.4	53.3	0	0	0	0	111.3	M791 Y843 D844	M791-S841 WeakPolarHBondContact CE-O 2.89Å; S841-Y843 PolarHBondContact O-N 3.38Å; S841-D844 PolarHBondContact O-N 3.44Å
842	K	86.1	Confident	93.3	Very high	41 Å²	41	34.1 Å²	34.1	18%	0.178	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	6.9	-67	144.2	83.2	146.8	-166.4	-79.3	0	117.5	M791 P794 R824 D825 L840	M791-K842 HydrophobicContact CB-CB 4.17Å; M791-K842 HydrophobicContact CE-CB 3.89Å; M791-K842 HydrophobicContact SD-CB 3.95Å; M791-K842 PolarHBondContact SD-N 3.42Å; P794-K842 VanDerWaalsContact CD-CE 3.47Å; R824-K842 WeakPolarHBondContact O-CE 3.24Å; D825-K842 WeakPolarHBondContact O-CE 3.49Å; D825-K842 PolarHBondContact O-NZ 3.02Å; D825-K842 WeakPolarHBondContact OD1-CE 3.49Å; D825-K842 IonicContact OD1-NZ 3.2Å; D825-K842 PolarHBondContact OD1-NZ 2.89Å; L840-K842 PolarHBondContact O-N 3.5Å
843	Y	87.8	Confident	93.3	Very high	72 Å²	72	31.7 Å²	31.7	28%	0.282	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-135.2	46.6	-159.6	-60.4	-94.2	0	0	0	108.6	R824 L840 S841 F845 T846 Q848	R824-Y843 HydrophobicContact CB-CE2 4.01Å; L840-Y843 HydrophobicContact CB-CD2 4Å; L840-Y843 HydrophobicContact CD1-CD2 3.97Å; L840-Y843 HydrophobicContact CD1-CE2 4.01Å; L840-Y843 PolarHBondContact O-N 2.88Å; S841-Y843 PolarHBondContact O-N 3.38Å; Y843-F845 PolarHBondContact O-N 2.89Å; Y843-T846 WeakPolarHBondContact CB-OG1 3.43Å; Y843-T846 WeakPolarHBondContact O-CB 3.18Å; Y843-T846 VanDerWaalsContact O-CG2 3.3Å; Y843-T846 WeakPolarHBondContact O-CG2 3.34Å; Y843-T846 PolarHBondContact O-N 2.89Å; Y843-T846 PolarHBondContact O-OG1 3.49Å; Y843-Q848 HydrophobicContact CD2-CG 3.74Å; Y843-Q848 HydrophobicContact CE2-CG 4.41Å; Y843-Q848 HydrophobicContact CG-CG 3.82Å
844	D	89.2	Confident	93.3	Very high	71 Å²	71	28.1 Å²	28.1	38%	0.38	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	36.8	179.8	-53	-63.4	0	0	0	113.1	S841 T846 G886 K887	S841-D844 PolarHBondContact O-N 3.44Å; D844-T846 PolarHBondContact O-N 3.3Å; D844-T846 VanDerWaalsContact O-N 3.16Å; D844-G886 PolarHBondContact O-N 2.93Å; D844-K887 VanDerWaalsContact OD2-CG 3.25Å; D844-K887 WeakPolarHBondContact OD2-CG 3.48Å
845	F	91.4	Very high	93.4	Very high	23 Å²	23	28.5 Å²	28.5	10%	0.101	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	13.9	-174.8	-58.3	-81.6	0	0	0	115.7	P839 L840 Y843 L867 F868 P869 I885	P839-F845 WeakPolarHBondContact CB-O 3.5Å; L840-F845 VanDerWaalsContact O-CA 3.26Å; L840-F845 WeakPolarHBondContact O-CA 3.35Å; L840-F845 PolarHBondContact O-N 3.28Å; Y843-F845 PolarHBondContact O-N 2.89Å; F845-L867 WeakPolarHBondContact CE1-O 3.48Å; F845-F868 HydrophobicContact CB-CD1 4.41Å; F845-F868 HydrophobicContact CB-CE1 4.11Å; F845-F868 AromaticContact CD1-CD1 3.91Å; F845-F868 HydrophobicContact CD1-CD1 3.91Å; F845-F868 HydrophobicContact CD1-CE1 4.05Å; F845-F868 HydrophobicContact CE1-CD1 4.45Å; F845-F868 HydrophobicContact CG-CD1 4.17Å; F845-F868 HydrophobicContact CG-CE1 4.28Å; F845-P869 HydrophobicContact CE2-CG 4.27Å; F845-P869 VanDerWaalsContact CZ-CD 3.47Å; F845-P869 HydrophobicContact CZ-CG 4.04Å; F845-I885 HydrophobicContact CB-CB 4.36Å; F845-I885 HydrophobicContact CB-CG2 3.81Å
846	T	90.6	Very high	93.3	Very high	41 Å²	41	26.8 Å²	26.8	25%	0.252	13%	0.133	S	C	.	.			trans	-64.2	153.5	171.9	62.4	0	0	0	0	112.2	P839 L840 Y843 D844 Q848	P839-T846 WeakPolarHBondContact CA-O 3.38Å; L840-T846 PolarHBondContact N-O 2.74Å; Y843-T846 WeakPolarHBondContact CB-OG1 3.43Å; Y843-T846 WeakPolarHBondContact O-CB 3.18Å; Y843-T846 VanDerWaalsContact O-CG2 3.3Å; Y843-T846 WeakPolarHBondContact O-CG2 3.34Å; Y843-T846 PolarHBondContact O-N 2.89Å; Y843-T846 PolarHBondContact O-OG1 3.49Å; D844-T846 PolarHBondContact O-N 3.3Å; D844-T846 VanDerWaalsContact O-N 3.16Å; T846-Q848 PolarHBondContact O-N 2.6Å; T846-Q848 PolarHBondContact OG1-NE2 2.65Å
847	K	92.9	Very high	93.3	Very high	71 Å²	71	32.5 Å²	32.5	31%	0.309	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	108.9	-179.2	-177.9	166.9	-160.4	164.4	0	111.6	Q837 K898 L899 F900	Q837-K847 HydrophobicContact CB-CD 4.33Å; Q837-K847 HydrophobicContact CB-CG 3.84Å; K847-K898 PolarHBondContact NZ-O 3.29Å; K847-L899 VanDerWaalsContact CD-O 3.31Å; K847-L899 WeakPolarHBondContact CD-O 3.33Å; K847-L899 WeakPolarHBondContact CE-O 3.48Å; K847-L899 VanDerWaalsContact CG-O 3.27Å; K847-L899 WeakPolarHBondContact CG-O 3.22Å; K847-F900 PolarHBondContact NZ-O 3.39Å
848	Q	95.3	Very high	93.1	Very high	43 Å²	43	31.2 Å²	31.2	20%	0.201	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	152	-176.4	-65.2	-59.7	-30.2	0	0	112.5	R824 Q837 A838 L840 Y843 T846	R824-Q848 HydrophobicContact CB-CB 4.02Å; R824-Q848 HydrophobicContact CG-CB 4.29Å; Q837-Q848 CarbonylContact C-O 3.49Å; Q837-Q848 WeakPolarHBondContact CA-O 3.41Å; A838-Q848 PolarHBondContact N-O 2.74Å; A838-Q848 PolarHBondContact O-N 3.45Å; L840-Q848 HydrophobicContact CD1-CB 3.69Å; L840-Q848 HydrophobicContact CD1-CG 4.23Å; L840-Q848 HydrophobicContact CG-CB 4.07Å; Y843-Q848 HydrophobicContact CD2-CG 3.74Å; Y843-Q848 HydrophobicContact CE2-CG 4.41Å; Y843-Q848 HydrophobicContact CG-CG 3.82Å; T846-Q848 PolarHBondContact O-N 2.6Å; T846-Q848 PolarHBondContact OG1-NE2 2.65Å
849	N	95.3	Very high	93.1	Very high	28 Å²	28	34.6 Å²	34.6	15%	0.15	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	131.4	178.6	-56.4	-43.4	0	0	0	111.1	R824 K835 G836 Q837	R824-N849 WeakPolarHBondContact CB-O 3.31Å; R824-N849 PolarHBondContact N-O 2.87Å; K835-N849 WeakPolarHBondContact CE-OD1 3.31Å; K835-N849 HydrophobicContact CG-CB 4.32Å; G836-N849 WeakPolarHBondContact O-CA 3.38Å; Q837-N849 PolarHBondContact NE2-OD1 3.06Å
850	V	96.1	Very high	93	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	158	-179	-72.4	0	0	0	0	111.5	D825 I830 K835 G836 A838 L840 C854 F855	D825-V850 HydrophobicContact CB-CG1 4.12Å; I830-V850 WeakPolarHBondContact CD1-O 3.38Å; K835-V850 CarbonylContact C-O 3.31Å; K835-V850 WeakPolarHBondContact CA-O 3.48Å; G836-V850 PolarHBondContact N-O 3.02Å; G836-V850 PolarHBondContact O-N 3.2Å; A838-V850 HydrophobicContact CB-CG1 4.38Å; A838-V850 HydrophobicContact CB-CG2 3.86Å; L840-V850 HydrophobicContact CD1-CG1 4.26Å; L840-V850 HydrophobicContact CD2-CG1 4.17Å; L840-V850 HydrophobicContact CG-CG1 4.5Å; V850-C854 HydrophobicContact CB-CB 4.03Å; V850-C854 HydrophobicContact CG1-CB 4.22Å; V850-F855 HydrophobicContact CG2-CB 3.78Å; V850-F855 HydrophobicContact CG2-CD2 4.15Å; V850-F855 HydrophobicContact CG2-CG 4.49Å
851	C	96.4	Very high	92.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.197	C	C	.	.			trans	-72.6	169.9	163.1	60.6	0	0	0	0	110.7	M807 C823 C826 I830 C834 C854 F855 H910	M807-C851 HydrophobicContact CE-CB 3.99Å; M807-C851 HydrophobicContact SD-CB 3.72Å; C823-C851 HydrophobicContact CB-CB 4.11Å; C823-C851 PolarHBondContact SG-N 3.3Å; C823-C851 VanDerWaalsContact SG-SG 3.64Å; C826-C851 VanDerWaalsContact SG-SG 3.68Å; I830-C851 HydrophobicContact CD1-CB 3.92Å; I830-C851 HydrophobicContact CG2-CB 3.92Å; C834-C851 WeakPolarHBondContact O-CA 3.44Å; C851-C854 PolarHBondContact O-N 3.47Å; C851-C854 VanDerWaalsContact SG-CB 3.54Å; C851-C854 PolarHBondContact SG-N 3.11Å; C851-C854 VanDerWaalsContact SG-SG 3.67Å; C851-F855 WeakPolarHBondContact O-CB 3.24Å; C851-F855 PolarHBondContact O-N 3.49Å; C851-H910 PolarHBondContact SG-NE2 3.45Å
852	S	95.1	Very high	93.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-57.5	-56.7	177.1	-171.3	0	0	0	0	112.3	C834 C854 F855 D856 N905 Y906 G907 F908	C834-S852 PolarHBondContact O-N 3.07Å; S852-C854 PolarHBondContact O-N 2.71Å; S852-C854 VanDerWaalsContact O-N 3.09Å; S852-F855 CarbonylContact O-C 3.53Å; S852-F855 VanDerWaalsContact O-CA 3.31Å; S852-F855 WeakPolarHBondContact O-CA 3.47Å; S852-F855 VanDerWaalsContact O-CB 3.26Å; S852-F855 WeakPolarHBondContact O-CB 3.39Å; S852-F855 PolarHBondContact O-N 3.46Å; S852-D856 PolarHBondContact O-N 3.07Å; S852-D856 VanDerWaalsContact O-OD2 3.11Å; S852-D856 PolarHBondContact OG-OD1 2.83Å; S852-D856 PolarHBondContact OG-OD2 3.44Å; S852-D856 VanDerWaalsContact OG-OD2 3.07Å; S852-N905 VanDerWaalsContact CB-O 3.3Å; S852-N905 WeakPolarHBondContact CB-O 3.49Å; S852-N905 PolarHBondContact OG-O 3.49Å; S852-Y906 WeakPolarHBondContact OG-CA 3.47Å; S852-G907 PolarHBondContact OG-N 3.32Å; S852-F908 WeakPolarHBondContact CB-O 3.2Å; S852-F908 PolarHBondContact OG-N 2.9Å
853	E	94.8	Very high	93.3	Very high	35 Å²	35	47 Å²	47	16%	0.164	21%	0.212	C	C	.	.	H	α-helix	trans	-56.1	-35.7	-177.1	-160.1	-158.1	100.1	0	0	113.9	M807 R857 F908 H910	M807-E853 HydrophobicContact CE-CB 4.4Å; E853-R857 VanDerWaalsContact O-CB 3.22Å; E853-R857 WeakPolarHBondContact O-CB 3.28Å; E853-R857 PolarHBondContact O-N 2.74Å; E853-R857 IonicContact OE1-CZ 3.61Å; E853-R857 IonicContact OE1-NH2 2.71Å; E853-R857 PolarHBondContact OE1-NH2 3.17Å; E853-F908 PolarHBondContact N-O 3.16Å; E853-H910 IonicContact OE1-CE1 2.92Å; E853-H910 PolarHBondContact OE1-CE1 2.82Å; E853-H910 IonicContact OE1-ND1 2.88Å; E853-H910 PolarHBondContact OE1-ND1 3.03Å; E853-H910 IonicContact OE2-CE1 3.34Å; E853-H910 IonicContact OE2-CG 3.83Å; E853-H910 PolarHBondContact OE2-N 2.82Å; E853-H910 VanDerWaalsContact OE2-N 3.14Å; E853-H910 IonicContact OE2-ND1 3.71Å; E853-H910 PolarHBondContact OE2-ND1 2.79Å
854	C	95.3	Very high	93.4	Very high	0 Å²	0	48 Å²	48	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-72.2	-38.3	171.4	-77.4	0	0	0	0	112.4	D825 V850 C851 S852 R857 H858	D825-C854 HydrophobicContact CB-CB 4.06Å; D825-C854 PolarHBondContact OD2-SG 3.17Å; V850-C854 HydrophobicContact CB-CB 4.03Å; V850-C854 HydrophobicContact CG1-CB 4.22Å; C851-C854 PolarHBondContact O-N 3.47Å; C851-C854 VanDerWaalsContact SG-CB 3.54Å; C851-C854 PolarHBondContact SG-N 3.11Å; C851-C854 VanDerWaalsContact SG-SG 3.67Å; S852-C854 PolarHBondContact O-N 2.71Å; S852-C854 VanDerWaalsContact O-N 3.09Å; C854-R857 PolarHBondContact O-N 3.43Å; C854-H858 PolarHBondContact O-CD2 2.85Å; C854-H858 PolarHBondContact O-N 3Å
855	F	96.5	Very high	93.2	Very high	7 Å²	7	47.2 Å²	47.2	3%	0.031	23%	0.23	C	C	.	.	H	α-helix	trans	-56.7	-51.1	171.2	-178	-88.3	0	0	0	110.7	Q837 A838 V850 C851 S852 R857 H858 Y859 F900 K901 A902 Y906	Q837-F855 WeakPolarHBondContact O-CD2 3.2Å; Q837-F855 VanDerWaalsContact O-CE2 3.23Å; Q837-F855 WeakPolarHBondContact O-CE2 3.45Å; A838-F855 HydrophobicContact CB-CD2 4.23Å; V850-F855 HydrophobicContact CG2-CB 3.78Å; V850-F855 HydrophobicContact CG2-CD2 4.15Å; V850-F855 HydrophobicContact CG2-CG 4.49Å; C851-F855 WeakPolarHBondContact O-CB 3.24Å; C851-F855 PolarHBondContact O-N 3.49Å; S852-F855 CarbonylContact O-C 3.53Å; S852-F855 VanDerWaalsContact O-CA 3.31Å; S852-F855 WeakPolarHBondContact O-CA 3.47Å; S852-F855 VanDerWaalsContact O-CB 3.26Å; S852-F855 WeakPolarHBondContact O-CB 3.39Å; S852-F855 PolarHBondContact O-N 3.46Å; F855-R857 VanDerWaalsContact C-N 3.29Å; F855-R857 PolarHBondContact O-N 2.9Å; F855-H858 PolarHBondContact O-N 3.22Å; F855-Y859 HydrophobicContact CE1-CD1 4.32Å; F855-Y859 HydrophobicContact CE1-CG 4.04Å; F855-Y859 HydrophobicContact CZ-CD2 4.43Å; F855-Y859 HydrophobicContact CZ-CG 4.32Å; F855-Y859 WeakPolarHBondContact O-CB 3.36Å; F855-Y859 PolarHBondContact O-N 3.03Å; F855-F900 HydrophobicContact CD2-CD1 4.37Å; F855-F900 HydrophobicContact CE2-CB 3.9Å; F855-F900 AromaticContact CE2-CD1 3.65Å; F855-F900 HydrophobicContact CE2-CD1 3.65Å; F855-F900 HydrophobicContact CE2-CG 4.27Å; F855-F900 HydrophobicContact CZ-CB 4.03Å; F855-F900 AromaticContact CZ-CD1 3.93Å; F855-F900 HydrophobicContact CZ-CD1 3.93Å; F855-F900 HydrophobicContact CZ-CG 4.41Å; F855-K901 VanDerWaalsContact CE2-C 3.4Å; F855-K901 VanDerWaalsContact CE2-O 3.27Å; F855-K901 WeakPolarHBondContact CE2-O 3.48Å; F855-A902 HydrophobicContact CE1-CB 4Å; F855-A902 HydrophobicContact CZ-CB 3.99Å; F855-Y906 HydrophobicContact CD1-CD2 4.1Å; F855-Y906 AromaticContact CD1-CE2 3.73Å; F855-Y906 HydrophobicContact CD1-CE2 3.73Å; F855-Y906 HydrophobicContact CE1-CD2 4.23Å; F855-Y906 AromaticContact CE1-CE2 3.74Å; F855-Y906 HydrophobicContact CE1-CE2 3.74Å
856	D	94.5	Very high	93.1	Very high	33 Å²	33	51.5 Å²	51.5	18%	0.176	26%	0.258	C	S	.	.	H	α-helix	trans	-59.6	-41.9	-178.3	-51.3	-25.9	0	0	0	110.6	S852 K860 Y906 G907	S852-D856 PolarHBondContact O-N 3.07Å; S852-D856 VanDerWaalsContact O-OD2 3.11Å; S852-D856 PolarHBondContact OG-OD1 2.83Å; S852-D856 PolarHBondContact OG-OD2 3.44Å; S852-D856 VanDerWaalsContact OG-OD2 3.07Å; D856-K860 VanDerWaalsContact O-CB 3.31Å; D856-K860 WeakPolarHBondContact O-CB 3.35Å; D856-K860 PolarHBondContact O-N 3.1Å; D856-Y906 WeakPolarHBondContact OD1-CD2 3.11Å; D856-Y906 WeakPolarHBondContact OD1-CE2 3.27Å; D856-G907 WeakPolarHBondContact OD2-CA 3.37Å; D856-G907 PolarHBondContact OD2-N 3.5Å
857	R	94.8	Very high	92.9	Very high	120 Å²	120	50.4 Å²	50.4	45%	0.453	25%	0.251	S	S	.	.	H	α-helix	trans	-63.7	-48.4	176.7	-168.5	-169.5	-56	165.9	-3.2	113	D825 E853 C854 F855 A861	D825-R857 IonicContact OD2-NH1 2.75Å; E853-R857 VanDerWaalsContact O-CB 3.22Å; E853-R857 WeakPolarHBondContact O-CB 3.28Å; E853-R857 PolarHBondContact O-N 2.74Å; E853-R857 IonicContact OE1-CZ 3.61Å; E853-R857 IonicContact OE1-NH2 2.71Å; E853-R857 PolarHBondContact OE1-NH2 3.17Å; C854-R857 PolarHBondContact O-N 3.43Å; F855-R857 VanDerWaalsContact C-N 3.29Å; F855-R857 PolarHBondContact O-N 2.9Å; R857-A861 WeakPolarHBondContact O-CB 3.24Å; R857-A861 PolarHBondContact O-N 2.73Å
858	H	94.5	Very high	92.7	Very high	22 Å²	22	47.8 Å²	47.8	10%	0.102	24%	0.24	C	C	.	.	H	α-helix	trans	-74.6	-33.5	179	-69.6	-62.1	0	0	0	112.2	D825 A838 L840 C854 F855 A861 Y862 F900	D825-H858 VanDerWaalsContact CG-NE2 3.26Å; D825-H858 IonicContact OD1-NE2 3.93Å; D825-H858 IonicContact OD2-CD2 2.62Å; D825-H858 IonicContact OD2-CE1 3.43Å; D825-H858 IonicContact OD2-NE2 3.06Å; D825-H858 PolarHBondContact OD2-NE2 3.37Å; A838-H858 HydrophobicContact CB-CB 4.13Å; L840-H858 VanDerWaalsContact CD2-CD2 3.43Å; L840-H858 WeakPolarHBondContact CD2-CD2 3.49Å; L840-H858 VanDerWaalsContact CD2-NE2 3.31Å; L840-H858 WeakPolarHBondContact CD2-NE2 3.3Å; C854-H858 PolarHBondContact O-CD2 2.85Å; C854-H858 PolarHBondContact O-N 3Å; F855-H858 PolarHBondContact O-N 3.22Å; H858-A861 PolarHBondContact O-N 2.99Å; H858-Y862 PolarHBondContact O-N 3.34Å; H858-F900 HydrophobicContact CB-CE1 4.49Å
859	Y	93.7	Very high	92.3	Very high	71 Å²	71	48.1 Å²	48.1	28%	0.278	25%	0.246	S	C	.	.	H	α-helix	trans	-70	-36.8	175.8	-174.6	-117	0	0	0	111.9	F855 Y862 K863 F900	F855-Y859 HydrophobicContact CE1-CD1 4.32Å; F855-Y859 HydrophobicContact CE1-CG 4.04Å; F855-Y859 HydrophobicContact CZ-CD2 4.43Å; F855-Y859 HydrophobicContact CZ-CG 4.32Å; F855-Y859 WeakPolarHBondContact O-CB 3.36Å; F855-Y859 PolarHBondContact O-N 3.03Å; Y859-Y862 HydrophobicContact CD2-CD1 4.1Å; Y859-Y862 HydrophobicContact CE2-CD1 4.09Å; Y859-Y862 HydrophobicContact CE2-CE1 4.44Å; Y859-Y862 PolarHBondContact O-N 3.38Å; Y859-K863 HydrophobicContact CE1-CD 4.34Å; Y859-K863 PolarHBondContact O-N 2.78Å; Y859-K863 WeakPolarHBondContact OH-CE 3.27Å; Y859-F900 AromaticContact CD2-CD1 3.84Å; Y859-F900 HydrophobicContact CD2-CD1 3.84Å; Y859-F900 HydrophobicContact CD2-CD2 4.34Å; Y859-F900 HydrophobicContact CD2-CE1 4.02Å; Y859-F900 HydrophobicContact CD2-CG 4.02Å; Y859-F900 HydrophobicContact CD2-CZ 4.36Å; Y859-F900 HydrophobicContact CG-CD1 4.45Å; Y859-F900 HydrophobicContact CG-CE1 4.5Å
860	K	92.8	Very high	91.7	Very high	131 Å²	131	51.8 Å²	51.8	57%	0.57	27%	0.273	S	S	*	.	H	α-helix	trans	-61.6	-50.7	166.5	176.5	166.8	177.6	172.3	0	111.1	D856 Y862 K863 D864	D856-K860 VanDerWaalsContact O-CB 3.31Å; D856-K860 WeakPolarHBondContact O-CB 3.35Å; D856-K860 PolarHBondContact O-N 3.1Å; K860-Y862 PolarHBondContact O-N 3.15Å; K860-Y862 VanDerWaalsContact O-N 3.1Å; K860-K863 PolarHBondContact O-N 2.89Å; K860-D864 WeakPolarHBondContact CE-OD2 3.26Å; K860-D864 VanDerWaalsContact CG-OD2 3.28Å; K860-D864 WeakPolarHBondContact CG-OD2 3.4Å; K860-D864 WeakPolarHBondContact O-CB 3.46Å; K860-D864 VanDerWaalsContact O-CG 3.24Å; K860-D864 PolarHBondContact O-N 3.42Å
861	A	91.3	Very high	91.1	Very high	20 Å²	20	60 Å²	60	17%	0.165	31%	0.309	C	S	.	.	H	α-helix	trans	-57.4	-28.4	178	0	0	0	0	0	113.6	R857 H858 G865 V866 L867	R857-A861 WeakPolarHBondContact O-CB 3.24Å; R857-A861 PolarHBondContact O-N 2.73Å; H858-A861 PolarHBondContact O-N 2.99Å; A861-G865 PolarHBondContact O-N 3.01Å; A861-V866 HydrophobicContact CB-CG2 4.05Å; A861-V866 WeakPolarHBondContact O-CG2 3.35Å; A861-V866 PolarHBondContact O-N 3Å; A861-L867 HydrophobicContact CB-CB 4.03Å; A861-L867 HydrophobicContact CB-CD1 4.21Å; A861-L867 WeakPolarHBondContact O-CB 3.16Å; A861-L867 PolarHBondContact O-N 3.16Å
862	Y	91.8	Very high	90.5	Very high	55 Å²	55	61.5 Å²	61.5	22%	0.216	32%	0.317	C	S	.	.	H	α-helix	trans	-72.3	-46.7	171.1	165.4	-120.5	0	0	0	112.7	H858 Y859 K860 D864 G865 F868 P896 R897 F900	H858-Y862 PolarHBondContact O-N 3.34Å; Y859-Y862 HydrophobicContact CD2-CD1 4.1Å; Y859-Y862 HydrophobicContact CE2-CD1 4.09Å; Y859-Y862 HydrophobicContact CE2-CE1 4.44Å; Y859-Y862 PolarHBondContact O-N 3.38Å; K860-Y862 PolarHBondContact O-N 3.15Å; K860-Y862 VanDerWaalsContact O-N 3.1Å; Y862-D864 VanDerWaalsContact C-N 3.3Å; Y862-D864 PolarHBondContact O-N 2.66Å; Y862-G865 PolarHBondContact O-N 2.71Å; Y862-G865 VanDerWaalsContact O-N 3.08Å; Y862-F868 HydrophobicContact CD2-CD2 4.28Å; Y862-F868 AromaticContact CD2-CE2 3.82Å; Y862-F868 HydrophobicContact CD2-CE2 3.82Å; Y862-F868 HydrophobicContact CE2-CE2 4.41Å; Y862-P896 HydrophobicContact CD2-CB 4.23Å; Y862-P896 HydrophobicContact CE2-CB 3.47Å; Y862-P896 VanDerWaalsContact CE2-CB 3.47Å; Y862-P896 HydrophobicContact CE2-CG 4.24Å; Y862-R897 WeakPolarHBondContact OH-CG 3.49Å; Y862-F900 HydrophobicContact CD1-CD2 4.24Å; Y862-F900 AromaticContact CD1-CE2 3.62Å; Y862-F900 HydrophobicContact CD1-CE2 3.62Å; Y862-F900 HydrophobicContact CD1-CZ 4.1Å; Y862-F900 HydrophobicContact CD2-CE2 4.38Å; Y862-F900 HydrophobicContact CE1-CE2 4.27Å; Y862-F900 AromaticContact CG-CE2 3.68Å; Y862-F900 HydrophobicContact CG-CE2 3.68Å; Y862-F900 AromaticContact CG-CZ 3.96Å; Y862-F900 HydrophobicContact CG-CZ 3.96Å
863	K	89	Confident	90	Very high	145 Å²	145	64.8 Å²	64.8	63%	0.63	33%	0.333	S	S	*	.	H	α-helix	trans	-61	-38.8	174.6	-76.1	-170.5	171.1	-171.9	0	112.7	Y859 K860 G865	Y859-K863 HydrophobicContact CE1-CD 4.34Å; Y859-K863 PolarHBondContact O-N 2.78Å; Y859-K863 WeakPolarHBondContact OH-CE 3.27Å; K860-K863 PolarHBondContact O-N 2.89Å; K863-G865 PolarHBondContact O-N 3.08Å
864	D	89.2	Confident	89.4	Confident	93 Å²	93	65.2 Å²	65.2	50%	0.497	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	0.5	177.1	-60.8	-2.7	0	0	0	112.3	K860 Y862 V866	K860-D864 WeakPolarHBondContact CE-OD2 3.26Å; K860-D864 VanDerWaalsContact CG-OD2 3.28Å; K860-D864 WeakPolarHBondContact CG-OD2 3.4Å; K860-D864 WeakPolarHBondContact O-CB 3.46Å; K860-D864 VanDerWaalsContact O-CG 3.24Å; K860-D864 PolarHBondContact O-N 3.42Å; Y862-D864 VanDerWaalsContact C-N 3.3Å; Y862-D864 PolarHBondContact O-N 2.66Å; D864-V866 HydrophobicContact CB-CG2 4.17Å; D864-V866 PolarHBondContact O-N 3.16Å; D864-V866 VanDerWaalsContact O-N 3.12Å
865	G	85.8	Confident	88.8	Confident	53 Å²	53	70 Å²	70	55%	0.546	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	-7	178.4	0	0	0	0	0	116.1	A861 Y862 K863	A861-G865 PolarHBondContact O-N 3.01Å; Y862-G865 PolarHBondContact O-N 2.71Å; Y862-G865 VanDerWaalsContact O-N 3.08Å; K863-G865 PolarHBondContact O-N 3.08Å
866	V	88.6	Confident	88.1	Confident	113 Å²	113	74 Å²	74	69%	0.685	38%	0.384	S	S	*	.			trans	-87.3	-10.1	-170.8	-62.9	0	0	0	0	115.4	A861 D864	A861-V866 HydrophobicContact CB-CG2 4.05Å; A861-V866 WeakPolarHBondContact O-CG2 3.35Å; A861-V866 PolarHBondContact O-N 3Å; D864-V866 HydrophobicContact CB-CG2 4.17Å; D864-V866 PolarHBondContact O-N 3.16Å; D864-V866 VanDerWaalsContact O-N 3.12Å
867	L	87.3	Confident	86.9	Confident	19 Å²	19	78.8 Å²	78.8	10%	0.099	42%	0.42	C	S	.	.	S	Bend	trans	-69	-40.5	-174.6	-175.4	62.8	0	0	0	113.6	P839 F845 A861 F900	P839-L867 HydrophobicContact CG-CD2 3.96Å; F845-L867 WeakPolarHBondContact CE1-O 3.48Å; A861-L867 HydrophobicContact CB-CB 4.03Å; A861-L867 HydrophobicContact CB-CD1 4.21Å; A861-L867 WeakPolarHBondContact O-CB 3.16Å; A861-L867 PolarHBondContact O-N 3.16Å; L867-F900 HydrophobicContact CD2-CZ 3.83Å
868	F	89.6	Confident	86.1	Confident	16 Å²	16	77.8 Å²	77.8	7%	0.07	42%	0.424	C	S	.	.	S	Bend	trans	-105.2	126.9	-175.2	-61.4	-79.9	0	0	0	110.5	P839 F845 Y862 M873 V883 P896 L899	P839-F868 HydrophobicContact CB-CE1 4.26Å; P839-F868 HydrophobicContact CB-CZ 4.18Å; P839-F868 HydrophobicContact CG-CE1 4.34Å; P839-F868 HydrophobicContact CG-CZ 3.78Å; F845-F868 HydrophobicContact CB-CD1 4.41Å; F845-F868 HydrophobicContact CB-CE1 4.11Å; F845-F868 AromaticContact CD1-CD1 3.91Å; F845-F868 HydrophobicContact CD1-CD1 3.91Å; F845-F868 HydrophobicContact CD1-CE1 4.05Å; F845-F868 HydrophobicContact CE1-CD1 4.45Å; F845-F868 HydrophobicContact CG-CD1 4.17Å; F845-F868 HydrophobicContact CG-CE1 4.28Å; Y862-F868 HydrophobicContact CD2-CD2 4.28Å; Y862-F868 AromaticContact CD2-CE2 3.82Å; Y862-F868 HydrophobicContact CD2-CE2 3.82Å; Y862-F868 HydrophobicContact CE2-CE2 4.41Å; F868-M873 HydrophobicContact CB-CG 4.26Å; F868-V883 HydrophobicContact CB-CG1 4.2Å; F868-V883 HydrophobicContact CD1-CB 4.22Å; F868-V883 HydrophobicContact CD1-CG1 3.87Å; F868-V883 HydrophobicContact CD1-CG2 4.41Å; F868-V883 HydrophobicContact CD2-CG1 4.12Å; F868-V883 HydrophobicContact CE1-CB 4.27Å; F868-V883 HydrophobicContact CE1-CG1 4.22Å; F868-V883 HydrophobicContact CE1-CG2 3.97Å; F868-V883 HydrophobicContact CE2-CG1 4.45Å; F868-V883 HydrophobicContact CG-CG1 3.81Å; F868-V883 HydrophobicContact CZ-CG1 4.49Å; F868-V883 HydrophobicContact CZ-CG2 4.16Å; F868-P896 HydrophobicContact CE2-CB 4.06Å; F868-P896 HydrophobicContact CZ-CB 4.39Å; F868-L899 HydrophobicContact CE1-CD1 4.21Å; F868-L899 HydrophobicContact CZ-CD1 4.04Å
869	P	86.1	Confident	84.9	Confident	50 Å²	50	85 Å²	85	33%	0.325	46%	0.457	S	S	.	.			trans	-62.2	141.4	171.3	-22.3	33.7	0	0	0	111	F845 K871 N872	F845-P869 HydrophobicContact CE2-CG 4.27Å; F845-P869 VanDerWaalsContact CZ-CD 3.47Å; F845-P869 HydrophobicContact CZ-CG 4.04Å; P869-K871 HydrophobicContact CB-CD 4.47Å; P869-K871 HydrophobicContact CB-CG 3.8Å; P869-K871 PolarHBondContact O-N 3.3Å; P869-N872 WeakPolarHBondContact O-CA 3.3Å; P869-N872 WeakPolarHBondContact O-CB 3.13Å; P869-N872 PolarHBondContact O-N 3.2Å
870	S	83.1	Confident	84.2	Confident	105 Å²	105	84.3 Å²	84.3	73%	0.734	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-54.2	-34.9	-177.1	-38.5	0	0	0	0	113.5	N872 M873	S870-N872 PolarHBondContact O-N 2.82Å; S870-N872 VanDerWaalsContact O-N 3.14Å; S870-M873 PolarHBondContact O-N 3.23Å
871	K	82.9	Confident	83.8	Confident	173 Å²	173	81.8 Å²	81.8	75%	0.752	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-60.4	-16.5	173.3	59.1	161.8	-171.8	177.5	0	115.4	P869	P869-K871 HydrophobicContact CB-CD 4.47Å; P869-K871 HydrophobicContact CB-CG 3.8Å; P869-K871 PolarHBondContact O-N 3.3Å
872	N	82.9	Confident	83.6	Confident	31 Å²	31	82.7 Å²	82.7	17%	0.166	45%	0.454	C	S	.	.	G	3₁₀ helix	trans	-99.2	-12.4	176	-77.1	78	0	0	0	111.8	P869 S870 V883 K884	P869-N872 WeakPolarHBondContact O-CA 3.3Å; P869-N872 WeakPolarHBondContact O-CB 3.13Å; P869-N872 PolarHBondContact O-N 3.2Å; S870-N872 PolarHBondContact O-N 2.82Å; S870-N872 VanDerWaalsContact O-N 3.14Å; N872-V883 CarbonylContact O-C 3.57Å; N872-V883 WeakPolarHBondContact O-CA 3.34Å; N872-K884 PolarHBondContact ND2-O 3.25Å; N872-K884 PolarHBondContact O-N 2.82Å
873	M	84.6	Confident	83.5	Confident	68 Å²	68	80.1 Å²	80.1	34%	0.335	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	153.1	177.9	-61.8	166.5	72.9	0	0	110.7	F868 S870 I881 L882 V883	F868-M873 HydrophobicContact CB-CG 4.26Å; S870-M873 PolarHBondContact O-N 3.23Å; M873-I881 HydrophobicContact CB-CG2 4.43Å; M873-I881 HydrophobicContact CE-CD1 4.27Å; M873-I881 HydrophobicContact CE-CG2 3.71Å; M873-L882 CarbonylContact C-O 3.56Å; M873-L882 WeakPolarHBondContact CA-O 3.21Å; M873-V883 HydrophobicContact CG-CG1 4.2Å
874	I	83.8	Confident	83.4	Confident	45 Å²	45	77.3 Å²	77.3	23%	0.231	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	127	168.1	-42.2	177.1	0	0	0	105.9	I881 L882 K884 I893	I874-I881 CarbonylContact O-C 3.54Å; I874-I881 WeakPolarHBondContact O-CA 3.46Å; I874-L882 HydrophobicContact CB-CB 4.44Å; I874-L882 PolarHBondContact N-O 3.43Å; I874-L882 PolarHBondContact O-N 3.06Å; I874-K884 HydrophobicContact CD1-CD 4.29Å; I874-K884 VanDerWaalsContact CD1-CE 3.42Å; I874-K884 HydrophobicContact CD1-CG 3.97Å; I874-K884 HydrophobicContact CG1-CD 4.3Å; I874-K884 HydrophobicContact CG1-CG 4.16Å; I874-I893 HydrophobicContact CD1-CD1 3.77Å; I874-I893 HydrophobicContact CD1-CG1 4.09Å; I874-I893 HydrophobicContact CD1-CG2 3.62Å
875	V	82.6	Confident	83.3	Confident	99 Å²	99	73.2 Å²	73.2	60%	0.6	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	129.1	168	-171.8	0	0	0	0	107.1	T880 I881	V875-T880 WeakPolarHBondContact CA-O 3.33Å; V875-I881 HydrophobicContact CG2-CG1 4.48Å
876	Q	80.5	Confident	83.1	Confident	91 Å²	91	71.7 Å²	71.7	43%	0.425	40%	0.395	S	S	.	.			trans	-93	169.7	174.3	-64.7	-165.6	-102.6	0	0	110.8	D878 E879 T880	Q876-D878 VanDerWaalsContact CB-OD1 3.22Å; Q876-D878 WeakPolarHBondContact CB-OD1 3.26Å; Q876-D878 PolarHBondContact O-N 2.89Å; Q876-D878 VanDerWaalsContact O-N 3.15Å; Q876-E879 PolarHBondContact O-N 3.41Å; Q876-E879 VanDerWaalsContact O-N 3.17Å; Q876-T880 PolarHBondContact N-O 3.41Å; Q876-T880 PolarHBondContact OE1-OG1 3.48Å
877	S	70.8	Confident	82.5	Confident	134 Å²	134	72.9 Å²	72.9	94%	0.937	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-6.8	-177.5	51.4	0	0	0	0	114.8
878	D	76.3	Confident	81.5	Confident	99 Å²	99	82.6 Å²	82.6	53%	0.529	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	21	175.4	64.5	-8.5	0	0	0	112.2	Q876 T880	Q876-D878 VanDerWaalsContact CB-OD1 3.22Å; Q876-D878 WeakPolarHBondContact CB-OD1 3.26Å; Q876-D878 PolarHBondContact O-N 2.89Å; Q876-D878 VanDerWaalsContact O-N 3.15Å; D878-T880 PolarHBondContact O-N 3.12Å; D878-T880 VanDerWaalsContact OD1-CB 3.32Å; D878-T880 WeakPolarHBondContact OD1-CB 3.38Å; D878-T880 WeakPolarHBondContact OD1-CG2 3.43Å; D878-T880 PolarHBondContact OD1-N 2.78Å; D878-T880 VanDerWaalsContact OD1-N 3.08Å; D878-T880 PolarHBondContact OD1-OG1 3.22Å; D878-T880 WeakPolarHBondContact OD2-CG2 3.44Å; D878-T880 PolarHBondContact OD2-OG1 2.75Å
879	E	70.9	Confident	80.3	Confident	174 Å²	174	88.9 Å²	88.9	81%	0.813	46%	0.461	S	S	*	.	S	Bend	trans	60.5	3.8	-172.9	-53.3	-167.5	147.6	0	0	115.5	Q876	Q876-E879 PolarHBondContact O-N 3.41Å; Q876-E879 VanDerWaalsContact O-N 3.17Å
880	T	78.6	Confident	79.7	Confident	56 Å²	56	92.6 Å²	92.6	34%	0.344	48%	0.477	S	S	.	.			trans	-72.3	140.9	179.7	66.7	0	0	0	0	112	V875 Q876 D878	V875-T880 WeakPolarHBondContact CA-O 3.33Å; Q876-T880 PolarHBondContact N-O 3.41Å; Q876-T880 PolarHBondContact OE1-OG1 3.48Å; D878-T880 PolarHBondContact O-N 3.12Å; D878-T880 VanDerWaalsContact OD1-CB 3.32Å; D878-T880 WeakPolarHBondContact OD1-CB 3.38Å; D878-T880 WeakPolarHBondContact OD1-CG2 3.43Å; D878-T880 PolarHBondContact OD1-N 2.78Å; D878-T880 VanDerWaalsContact OD1-N 3.08Å; D878-T880 PolarHBondContact OD1-OG1 3.22Å; D878-T880 WeakPolarHBondContact OD2-CG2 3.44Å; D878-T880 PolarHBondContact OD2-OG1 2.75Å
881	I	83.4	Confident	79.5	Confident	79 Å²	79	94 Å²	94	41%	0.405	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	111.5	-177.3	-55.6	-179.5	0	0	0	109.7	M873 I874 V875 P896	M873-I881 HydrophobicContact CB-CG2 4.43Å; M873-I881 HydrophobicContact CE-CD1 4.27Å; M873-I881 HydrophobicContact CE-CG2 3.71Å; I874-I881 CarbonylContact O-C 3.54Å; I874-I881 WeakPolarHBondContact O-CA 3.46Å; V875-I881 HydrophobicContact CG2-CG1 4.48Å; I881-P896 WeakPolarHBondContact O-CD 3.14Å
882	L	87.3	Confident	79.7	Confident	38 Å²	38	91.6 Å²	91.6	20%	0.199	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	158.4	170.8	-58.4	-175.2	0	0	0	111	M873 I874 I893 D895	M873-L882 CarbonylContact C-O 3.56Å; M873-L882 WeakPolarHBondContact CA-O 3.21Å; I874-L882 HydrophobicContact CB-CB 4.44Å; I874-L882 PolarHBondContact N-O 3.43Å; I874-L882 PolarHBondContact O-N 3.06Å; L882-I893 HydrophobicContact CB-CG2 3.73Å; L882-I893 HydrophobicContact CD1-CG2 3.67Å; L882-I893 HydrophobicContact CG-CG2 4.35Å; L882-D895 HydrophobicContact CD2-CB 4.17Å
883	V	89.5	Confident	80	Confident	1 Å²	1	94.6 Å²	94.6	1%	0.006	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	135.6	175.3	-72.6	0	0	0	0	112.8	F868 N872 M873 I885 I893 V894 P896 L899	F868-V883 HydrophobicContact CB-CG1 4.2Å; F868-V883 HydrophobicContact CD1-CB 4.22Å; F868-V883 HydrophobicContact CD1-CG1 3.87Å; F868-V883 HydrophobicContact CD1-CG2 4.41Å; F868-V883 HydrophobicContact CD2-CG1 4.12Å; F868-V883 HydrophobicContact CE1-CB 4.27Å; F868-V883 HydrophobicContact CE1-CG1 4.22Å; F868-V883 HydrophobicContact CE1-CG2 3.97Å; F868-V883 HydrophobicContact CE2-CG1 4.45Å; F868-V883 HydrophobicContact CG-CG1 3.81Å; F868-V883 HydrophobicContact CZ-CG1 4.49Å; F868-V883 HydrophobicContact CZ-CG2 4.16Å; N872-V883 CarbonylContact O-C 3.57Å; N872-V883 WeakPolarHBondContact O-CA 3.34Å; M873-V883 HydrophobicContact CG-CG1 4.2Å; V883-I885 HydrophobicContact CB-CG2 4.49Å; V883-I885 HydrophobicContact CG2-CG2 4.06Å; V883-I893 WeakPolarHBondContact O-CA 3.5Å; V883-V894 VanDerWaalsContact CG2-O 3.32Å; V883-V894 WeakPolarHBondContact CG2-O 3.35Å; V883-V894 PolarHBondContact N-O 3.34Å; V883-V894 PolarHBondContact O-N 3.31Å; V883-P896 HydrophobicContact CB-CG 4.47Å; V883-P896 HydrophobicContact CG1-CG 3.92Å; V883-P896 HydrophobicContact CG2-CB 4.34Å; V883-P896 HydrophobicContact CG2-CG 3.87Å; V883-L899 HydrophobicContact CG2-CD1 3.76Å
884	K	88	Confident	80.1	Confident	86 Å²	86	92.1 Å²	92.1	37%	0.374	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	114.8	169.3	-67	171.7	179.8	166.4	0	108.7	N872 I874 E892 I893	N872-K884 PolarHBondContact ND2-O 3.25Å; N872-K884 PolarHBondContact O-N 2.82Å; I874-K884 HydrophobicContact CD1-CD 4.29Å; I874-K884 VanDerWaalsContact CD1-CE 3.42Å; I874-K884 HydrophobicContact CD1-CG 3.97Å; I874-K884 HydrophobicContact CG1-CD 4.3Å; I874-K884 HydrophobicContact CG1-CG 4.16Å; K884-E892 WeakPolarHBondContact CA-O 3.31Å; K884-I893 HydrophobicContact CG-CG1 4.18Å
885	I	87	Confident	80.3	Confident	7 Å²	7	92 Å²	92	4%	0.036	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	165.8	177.3	66.7	170.8	0	0	0	110.7	F845 V883 K891 E892 V894 L899	F845-I885 HydrophobicContact CB-CB 4.36Å; F845-I885 HydrophobicContact CB-CG2 3.81Å; V883-I885 HydrophobicContact CB-CG2 4.49Å; V883-I885 HydrophobicContact CG2-CG2 4.06Å; I885-K891 WeakPolarHBondContact O-CA 3.29Å; I885-E892 HydrophobicContact CG1-CB 3.97Å; I885-E892 PolarHBondContact N-O 3.08Å; I885-E892 PolarHBondContact O-N 2.82Å; I885-V894 HydrophobicContact CD1-CB 4.47Å; I885-V894 HydrophobicContact CD1-CG2 3.83Å; I885-V894 HydrophobicContact CG1-CG2 4.12Å; I885-L899 HydrophobicContact CD1-CD1 4.32Å; I885-L899 HydrophobicContact CD1-CD2 3.66Å; I885-L899 HydrophobicContact CG2-CD1 3.9Å
886	G	81.4	Confident	80.5	Confident	22 Å²	22	87.5 Å²	87.5	23%	0.227	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	88.1	179.8	179.2	0	0	0	0	0	114.2	D844 D890	D844-G886 PolarHBondContact O-N 2.93Å; G886-D890 CarbonylContact C-O 3.56Å; G886-D890 WeakPolarHBondContact CA-O 3.14Å
887	K	76.7	Confident	80.9	Confident	137 Å²	137	92.1 Å²	92.1	60%	0.596	45%	0.452	S	S	*	.			trans	-77.5	170.8	-170.6	-75.6	-178.1	178	179.2	0	111.8	D844 N889 D890 K891	D844-K887 VanDerWaalsContact OD2-CG 3.25Å; D844-K887 WeakPolarHBondContact OD2-CG 3.48Å; K887-N889 PolarHBondContact O-N 3.22Å; K887-D890 PolarHBondContact N-O 3Å; K887-D890 VanDerWaalsContact N-O 3.13Å; K887-D890 CarbonylContact O-C 3.6Å; K887-D890 VanDerWaalsContact O-C 3.31Å; K887-D890 PolarHBondContact O-N 3.31Å; K887-K891 WeakPolarHBondContact O-CG 3.11Å
888	R	66.2	Low	81.8	Confident	223 Å²	223	92.4 Å²	92.4	84%	0.842	44%	0.436	S	S	*	.	S	Bend	trans	-54.7	-30	-175	-163.7	172.3	-173.2	161.9	0.5	113.8	K891	R888-K891 WeakPolarHBondContact O-CE 3.42Å
889	N	64.1	Low	82.4	Confident	149 Å²	149	88.1 Å²	88.1	80%	0.797	41%	0.413	S	S	*	.	S	Bend	trans	-100.2	-28.8	-177.5	-56.2	17.4	0	0	0	112.7	K887	K887-N889 PolarHBondContact O-N 3.22Å
890	D	72.1	Confident	83.6	Confident	127 Å²	127	80.8 Å²	80.8	68%	0.679	38%	0.379	S	S	*	.	S	Bend	trans	-113.1	77.4	179.1	-59.7	-61.1	0	0	0	109.1	G886 K887	G886-D890 CarbonylContact C-O 3.56Å; G886-D890 WeakPolarHBondContact CA-O 3.14Å; K887-D890 PolarHBondContact N-O 3Å; K887-D890 VanDerWaalsContact N-O 3.13Å; K887-D890 CarbonylContact O-C 3.6Å; K887-D890 VanDerWaalsContact O-C 3.31Å; K887-D890 PolarHBondContact O-N 3.31Å
891	K	80	Confident	84.4	Confident	134 Å²	134	84.5 Å²	84.5	58%	0.583	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	111.6	179.2	-67	-172.8	-174	171.2	0	111.4	I885 K887 R888	I885-K891 WeakPolarHBondContact O-CA 3.29Å; K887-K891 WeakPolarHBondContact O-CG 3.11Å; R888-K891 WeakPolarHBondContact O-CE 3.42Å
892	E	87.6	Confident	84.9	Confident	123 Å²	123	83.4 Å²	83.4	58%	0.575	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	143	171.4	-154.4	-172.4	163.6	0	0	109.6	K884 I885 V894	K884-E892 WeakPolarHBondContact CA-O 3.31Å; I885-E892 HydrophobicContact CG1-CB 3.97Å; I885-E892 PolarHBondContact N-O 3.08Å; I885-E892 PolarHBondContact O-N 2.82Å; E892-V894 HydrophobicContact CB-CG2 3.93Å; E892-V894 HydrophobicContact CG-CG2 3.5Å; E892-V894 WeakPolarHBondContact OE1-CG2 3.39Å
893	I	88	Confident	85.2	Confident	95 Å²	95	82 Å²	82	49%	0.487	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	114.3	171.8	-59.7	174.5	0	0	0	107.1	I874 L882 V883 K884	I874-I893 HydrophobicContact CD1-CD1 3.77Å; I874-I893 HydrophobicContact CD1-CG1 4.09Å; I874-I893 HydrophobicContact CD1-CG2 3.62Å; L882-I893 HydrophobicContact CB-CG2 3.73Å; L882-I893 HydrophobicContact CD1-CG2 3.67Å; L882-I893 HydrophobicContact CG-CG2 4.35Å; V883-I893 WeakPolarHBondContact O-CA 3.5Å; K884-I893 HydrophobicContact CG-CG1 4.18Å
894	V	88.2	Confident	85.4	Confident	15 Å²	15	87.2 Å²	87.2	9%	0.091	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	146	-170	-164.5	0	0	0	0	111	V883 I885 E892 P896 K898 L899	V883-V894 VanDerWaalsContact CG2-O 3.32Å; V883-V894 WeakPolarHBondContact CG2-O 3.35Å; V883-V894 PolarHBondContact N-O 3.34Å; V883-V894 PolarHBondContact O-N 3.31Å; I885-V894 HydrophobicContact CD1-CB 4.47Å; I885-V894 HydrophobicContact CD1-CG2 3.83Å; I885-V894 HydrophobicContact CG1-CG2 4.12Å; E892-V894 HydrophobicContact CB-CG2 3.93Å; E892-V894 HydrophobicContact CG-CG2 3.5Å; E892-V894 WeakPolarHBondContact OE1-CG2 3.39Å; V894-P896 WeakPolarHBondContact O-CD 3.31Å; V894-K898 HydrophobicContact CG1-CB 4.11Å; V894-L899 HydrophobicContact CB-CD2 4.1Å; V894-L899 HydrophobicContact CG1-CD2 3.82Å; V894-L899 HydrophobicContact CG1-CG 4.43Å
895	D	87.9	Confident	85.6	Confident	43 Å²	43	84.7 Å²	84.7	23%	0.23	41%	0.408	C	S	.	.			trans	-59.5	121.6	164.6	160.2	17	0	0	0	109.7	L882 R897 K898	L882-D895 HydrophobicContact CD2-CB 4.17Å; D895-R897 PolarHBondContact O-N 2.97Å; D895-R897 VanDerWaalsContact OD1-CB 3.24Å; D895-R897 WeakPolarHBondContact OD1-CB 3.44Å; D895-R897 WeakPolarHBondContact OD1-CG 3.18Å; D895-R897 PolarHBondContact OD1-N 3.47Å; D895-K898 HydrophobicContact CB-CD 3.96Å; D895-K898 HydrophobicContact CB-CG 4.12Å; D895-K898 WeakPolarHBondContact O-CB 3.2Å; D895-K898 PolarHBondContact O-N 3.43Å; D895-K898 WeakPolarHBondContact OD2-CE 3.36Å
896	P	87	Confident	85.8	Confident	5 Å²	5	90.1 Å²	90.1	3%	0.032	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-49.6	-34.9	179.1	-26.6	31.6	0	0	0	114.1	Y862 F868 I881 V883 V894 K898 L899 F900	Y862-P896 HydrophobicContact CD2-CB 4.23Å; Y862-P896 HydrophobicContact CE2-CB 3.47Å; Y862-P896 VanDerWaalsContact CE2-CB 3.47Å; Y862-P896 HydrophobicContact CE2-CG 4.24Å; F868-P896 HydrophobicContact CE2-CB 4.06Å; F868-P896 HydrophobicContact CZ-CB 4.39Å; I881-P896 WeakPolarHBondContact O-CD 3.14Å; V883-P896 HydrophobicContact CB-CG 4.47Å; V883-P896 HydrophobicContact CG1-CG 3.92Å; V883-P896 HydrophobicContact CG2-CB 4.34Å; V883-P896 HydrophobicContact CG2-CG 3.87Å; V894-P896 WeakPolarHBondContact O-CD 3.31Å; P896-K898 VanDerWaalsContact C-N 3.3Å; P896-K898 PolarHBondContact O-N 2.87Å; P896-L899 WeakPolarHBondContact O-CB 3.28Å; P896-L899 PolarHBondContact O-N 2.92Å; P896-L899 VanDerWaalsContact O-N 3.1Å; P896-F900 WeakPolarHBondContact O-CD2 3.04Å
897	R	87.3	Confident	86.1	Confident	187 Å²	187	91 Å²	91	71%	0.706	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-63.9	-36.9	-177.8	-58.3	172.5	176.8	178.7	1.5	111.1	Y862 D895 L899 F900	Y862-R897 WeakPolarHBondContact OH-CG 3.49Å; D895-R897 PolarHBondContact O-N 2.97Å; D895-R897 VanDerWaalsContact OD1-CB 3.24Å; D895-R897 WeakPolarHBondContact OD1-CB 3.44Å; D895-R897 WeakPolarHBondContact OD1-CG 3.18Å; D895-R897 PolarHBondContact OD1-N 3.47Å; R897-L899 PolarHBondContact O-N 3.33Å; R897-F900 PolarHBondContact O-N 3.26Å
898	K	89.7	Confident	86.8	Confident	141 Å²	141	87.4 Å²	87.4	61%	0.613	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-67.2	-18	177.2	-62.8	175.4	-168.4	172.4	0	112.8	K847 V894 D895 P896 F900	K847-K898 PolarHBondContact NZ-O 3.29Å; V894-K898 HydrophobicContact CG1-CB 4.11Å; D895-K898 HydrophobicContact CB-CD 3.96Å; D895-K898 HydrophobicContact CB-CG 4.12Å; D895-K898 WeakPolarHBondContact O-CB 3.2Å; D895-K898 PolarHBondContact O-N 3.43Å; D895-K898 WeakPolarHBondContact OD2-CE 3.36Å; P896-K898 VanDerWaalsContact C-N 3.3Å; P896-K898 PolarHBondContact O-N 2.87Å; K898-F900 VanDerWaalsContact C-N 3.32Å
899	L	90.6	Very high	88	Confident	8 Å²	8	84.1 Å²	84.1	4%	0.042	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-78.2	-17.4	178.2	-53.9	-178.1	0	0	0	113.1	P839 K847 F868 V883 I885 V894 P896 R897	P839-L899 HydrophobicContact CB-CB 4Å; P839-L899 HydrophobicContact CB-CD1 4.01Å; P839-L899 HydrophobicContact CG-CB 3.81Å; P839-L899 HydrophobicContact CG-CD1 4.28Å; K847-L899 VanDerWaalsContact CD-O 3.31Å; K847-L899 WeakPolarHBondContact CD-O 3.33Å; K847-L899 WeakPolarHBondContact CE-O 3.48Å; K847-L899 VanDerWaalsContact CG-O 3.27Å; K847-L899 WeakPolarHBondContact CG-O 3.22Å; F868-L899 HydrophobicContact CE1-CD1 4.21Å; F868-L899 HydrophobicContact CZ-CD1 4.04Å; V883-L899 HydrophobicContact CG2-CD1 3.76Å; I885-L899 HydrophobicContact CD1-CD1 4.32Å; I885-L899 HydrophobicContact CD1-CD2 3.66Å; I885-L899 HydrophobicContact CG2-CD1 3.9Å; V894-L899 HydrophobicContact CB-CD2 4.1Å; V894-L899 HydrophobicContact CG1-CD2 3.82Å; V894-L899 HydrophobicContact CG1-CG 4.43Å; P896-L899 WeakPolarHBondContact O-CB 3.28Å; P896-L899 PolarHBondContact O-N 2.92Å; P896-L899 VanDerWaalsContact O-N 3.1Å; R897-L899 PolarHBondContact O-N 3.33Å
900	F	94.5	Very high	89.2	Confident	21 Å²	21	78.6 Å²	78.6	9%	0.092	38%	0.379	C	S	.	.			trans	-91.5	152.3	175.7	-67	-85.9	0	0	0	112	Q837 A838 P839 K847 F855 H858 Y859 Y862 L867 P896 R897 K898	Q837-F900 CarbonylContact O-C 3.5Å; Q837-F900 WeakPolarHBondContact O-CA 3.25Å; A838-F900 HydrophobicContact CB-CD1 4.05Å; A838-F900 HydrophobicContact CB-CE1 3.98Å; P839-F900 HydrophobicContact CG-CE1 4.26Å; P839-F900 HydrophobicContact CG-CE2 3.9Å; P839-F900 HydrophobicContact CG-CZ 3.72Å; K847-F900 PolarHBondContact NZ-O 3.39Å; F855-F900 HydrophobicContact CD2-CD1 4.37Å; F855-F900 HydrophobicContact CE2-CB 3.9Å; F855-F900 AromaticContact CE2-CD1 3.65Å; F855-F900 HydrophobicContact CE2-CD1 3.65Å; F855-F900 HydrophobicContact CE2-CG 4.27Å; F855-F900 HydrophobicContact CZ-CB 4.03Å; F855-F900 AromaticContact CZ-CD1 3.93Å; F855-F900 HydrophobicContact CZ-CD1 3.93Å; F855-F900 HydrophobicContact CZ-CG 4.41Å; H858-F900 HydrophobicContact CB-CE1 4.49Å; Y859-F900 AromaticContact CD2-CD1 3.84Å; Y859-F900 HydrophobicContact CD2-CD1 3.84Å; Y859-F900 HydrophobicContact CD2-CD2 4.34Å; Y859-F900 HydrophobicContact CD2-CE1 4.02Å; Y859-F900 HydrophobicContact CD2-CG 4.02Å; Y859-F900 HydrophobicContact CD2-CZ 4.36Å; Y859-F900 HydrophobicContact CG-CD1 4.45Å; Y859-F900 HydrophobicContact CG-CE1 4.5Å; Y862-F900 HydrophobicContact CD1-CD2 4.24Å; Y862-F900 AromaticContact CD1-CE2 3.62Å; Y862-F900 HydrophobicContact CD1-CE2 3.62Å; Y862-F900 HydrophobicContact CD1-CZ 4.1Å; Y862-F900 HydrophobicContact CD2-CE2 4.38Å; Y862-F900 HydrophobicContact CE1-CE2 4.27Å; Y862-F900 AromaticContact CG-CE2 3.68Å; Y862-F900 HydrophobicContact CG-CE2 3.68Å; Y862-F900 AromaticContact CG-CZ 3.96Å; Y862-F900 HydrophobicContact CG-CZ 3.96Å; L867-F900 HydrophobicContact CD2-CZ 3.83Å; P896-F900 WeakPolarHBondContact O-CD2 3.04Å; R897-F900 PolarHBondContact O-N 3.26Å; K898-F900 VanDerWaalsContact C-N 3.32Å
901	K	95.7	Very high	89.7	Confident	134 Å²	134	73.8 Å²	73.8	58%	0.583	35%	0.352	S	S	*	.	B	Isolated β-bridge	trans	-151.1	112.7	160.7	-177.5	172.4	-177.6	168.4	0	107.6	G836 Q837 F855	G836-K901 CarbonylContact C-O 3.4Å; G836-K901 VanDerWaalsContact CA-O 3.24Å; G836-K901 WeakPolarHBondContact CA-O 3.5Å; Q837-K901 HydrophobicContact CB-CB 4.08Å; Q837-K901 HydrophobicContact CG-CB 4.36Å; Q837-K901 PolarHBondContact N-O 3.25Å; Q837-K901 PolarHBondContact O-N 3.33Å; F855-K901 VanDerWaalsContact CE2-C 3.4Å; F855-K901 VanDerWaalsContact CE2-O 3.27Å; F855-K901 WeakPolarHBondContact CE2-O 3.48Å
902	A	93.3	Very high	89.7	Confident	55 Å²	55	71.1 Å²	71.1	46%	0.455	34%	0.344	S	S	.	.			trans	-61.8	146.9	-179.6	0	0	0	0	0	111.4	F855 Y906	F855-A902 HydrophobicContact CE1-CB 4Å; F855-A902 HydrophobicContact CZ-CB 3.99Å; A902-Y906 HydrophobicContact CB-CD2 4.33Å
903	P	95.1	Very high	88.9	Confident	8 Å²	8	67 Å²	67	5%	0.052	33%	0.327	C	S	.	.			trans	-63.7	163.1	161.5	32	-37.1	0	0	0	110.6	F833 Y906	F833-P903 WeakPolarHBondContact O-CB 3.46Å; P903-Y906 HydrophobicContact CG-CD2 4.44Å
904	V	93.9	Very high	88	Confident	112 Å²	112	69.7 Å²	69.7	68%	0.679	34%	0.337	S	S	*	.	S	Bend	trans	-70.4	-42.8	168.3	179.7	0	0	0	0	109.8	F833 Y906	F833-V904 HydrophobicContact CB-CB 4.23Å; F833-V904 HydrophobicContact CD1-CB 4.37Å; F833-V904 HydrophobicContact CD1-CG1 4.49Å; F833-V904 HydrophobicContact CD1-CG2 4.34Å; F833-V904 PolarHBondContact O-N 2.9Å; V904-Y906 VanDerWaalsContact C-N 3.31Å; V904-Y906 PolarHBondContact O-N 3.15Å; V904-Y906 VanDerWaalsContact O-N 3.14Å
905	N	92.1	Very high	87.4	Confident	33 Å²	33	73.3 Å²	73.3	18%	0.176	35%	0.353	C	S	.	.	S	Bend	trans	-90	69.3	177.2	-63.5	17	0	0	0	109.3	F833 S852 F908	F833-N905 PolarHBondContact O-N 3.25Å; S852-N905 VanDerWaalsContact CB-O 3.3Å; S852-N905 WeakPolarHBondContact CB-O 3.49Å; S852-N905 PolarHBondContact OG-O 3.49Å; N905-F908 HydrophobicContact CB-CD1 4.16Å; N905-F908 HydrophobicContact CB-CD2 3.84Å; N905-F908 HydrophobicContact CB-CE1 4.19Å; N905-F908 HydrophobicContact CB-CE2 3.89Å; N905-F908 HydrophobicContact CB-CG 3.99Å; N905-F908 HydrophobicContact CB-CZ 4.07Å
906	Y	90.2	Very high	86.5	Confident	120 Å²	120	73.1 Å²	73.1	47%	0.471	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	150.8	178.4	-176.2	-87.8	0	0	0	112.1	S852 F855 D856 A902 P903 V904 F908	S852-Y906 WeakPolarHBondContact OG-CA 3.47Å; F855-Y906 HydrophobicContact CD1-CD2 4.1Å; F855-Y906 AromaticContact CD1-CE2 3.73Å; F855-Y906 HydrophobicContact CD1-CE2 3.73Å; F855-Y906 HydrophobicContact CE1-CD2 4.23Å; F855-Y906 AromaticContact CE1-CE2 3.74Å; F855-Y906 HydrophobicContact CE1-CE2 3.74Å; D856-Y906 WeakPolarHBondContact OD1-CD2 3.11Å; D856-Y906 WeakPolarHBondContact OD1-CE2 3.27Å; A902-Y906 HydrophobicContact CB-CD2 4.33Å; P903-Y906 HydrophobicContact CG-CD2 4.44Å; V904-Y906 VanDerWaalsContact C-N 3.31Å; V904-Y906 PolarHBondContact O-N 3.15Å; V904-Y906 VanDerWaalsContact O-N 3.14Å; Y906-F908 WeakPolarHBondContact O-CD1 3.49Å; Y906-F908 PolarHBondContact O-N 3.31Å
907	G	87.4	Confident	85.8	Confident	40 Å²	40	79.1 Å²	79.1	41%	0.412	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.7	-2.8	-177.2	0	0	0	0	0	115.8	S852 D856	S852-G907 PolarHBondContact OG-N 3.32Å; D856-G907 WeakPolarHBondContact OD2-CA 3.37Å; D856-G907 PolarHBondContact OD2-N 3.5Å
908	F	91.9	Very high	85.3	Confident	63 Å²	63	73.4 Å²	73.4	28%	0.276	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-73.6	134.5	-177.6	-79	35	0	0	0	110.8	M807 E808 C810 S852 E853 N905 Y906	M807-F908 HydrophobicContact CB-CB 4.25Å; M807-F908 HydrophobicContact CB-CD2 4.35Å; M807-F908 HydrophobicContact CE-CB 4.38Å; M807-F908 WeakPolarHBondContact CE-O 3.32Å; E808-F908 WeakPolarHBondContact O-CD2 3.36Å; C810-F908 HydrophobicContact CB-CD2 4.08Å; C810-F908 HydrophobicContact CB-CE2 4.09Å; S852-F908 WeakPolarHBondContact CB-O 3.2Å; S852-F908 PolarHBondContact OG-N 2.9Å; E853-F908 PolarHBondContact N-O 3.16Å; N905-F908 HydrophobicContact CB-CD1 4.16Å; N905-F908 HydrophobicContact CB-CD2 3.84Å; N905-F908 HydrophobicContact CB-CE1 4.19Å; N905-F908 HydrophobicContact CB-CE2 3.89Å; N905-F908 HydrophobicContact CB-CG 3.99Å; N905-F908 HydrophobicContact CB-CZ 4.07Å; Y906-F908 WeakPolarHBondContact O-CD1 3.49Å; Y906-F908 PolarHBondContact O-N 3.31Å
909	R	91.3	Very high	84.6	Confident	154 Å²	154	70.2 Å²	70.2	58%	0.581	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-94.4	166.1	-178.4	-64.1	-169.1	-179.4	-75.2	-3.4	113.1	M807 E808 R911	M807-R909 WeakPolarHBondContact CA-O 3.29Å; M807-R909 VanDerWaalsContact CE-C 3.48Å; M807-R909 VanDerWaalsContact CE-O 3.3Å; M807-R909 WeakPolarHBondContact CE-O 3.4Å; E808-R909 WeakPolarHBondContact CB-O 3.49Å; E808-R909 PolarHBondContact N-O 3.16Å; R909-R911 PolarHBondContact O-N 3.45Å
910	H	89.4	Confident	84.3	Confident	32 Å²	32	70.4 Å²	70.4	15%	0.148	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-64.3	126.6	168	-62.8	111.7	0	0	0	110.2	C826 W828 C851 E853	C826-H910 PolarHBondContact SG-NE2 2.98Å; W828-H910 HydrophobicContact CD2-CB 4.32Å; W828-H910 AromaticContact CD2-CD2 3.3Å; W828-H910 AromaticContact CE2-CD2 3.75Å; W828-H910 HydrophobicContact CE3-CB 4.02Å; W828-H910 AromaticContact CE3-CD2 3.49Å; W828-H910 VanDerWaalsContact CE3-CD2 3.49Å; W828-H910 AromaticContact CG-CD2 3.62Å; W828-H910 AromaticContact CG-NE2 3.98Å; W828-H910 HydrophobicContact CH2-CB 3.7Å; W828-H910 HydrophobicContact CZ2-CB 3.96Å; W828-H910 HydrophobicContact CZ3-CB 3.71Å; C851-H910 PolarHBondContact SG-NE2 3.45Å; E853-H910 IonicContact OE1-CE1 2.92Å; E853-H910 PolarHBondContact OE1-CE1 2.82Å; E853-H910 IonicContact OE1-ND1 2.88Å; E853-H910 PolarHBondContact OE1-ND1 3.03Å; E853-H910 IonicContact OE2-CE1 3.34Å; E853-H910 IonicContact OE2-CG 3.83Å; E853-H910 PolarHBondContact OE2-N 2.82Å; E853-H910 VanDerWaalsContact OE2-N 3.14Å; E853-H910 IonicContact OE2-ND1 3.71Å; E853-H910 PolarHBondContact OE2-ND1 2.79Å
911	R	83.7	Confident	83.9	Confident	27 Å²	27	71.9 Å²	71.9	10%	0.102	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-59.7	138.5	176.8	-179.8	-169.8	-61.3	-176	-9.2	111	E804 C805 L806 C810 W828 R909 V913 L955	E804-R911 IonicContact OE1-CZ 2.89Å; E804-R911 IonicContact OE1-NH1 3.03Å; E804-R911 PolarHBondContact OE1-NH1 3.44Å; E804-R911 IonicContact OE1-NH2 3.39Å; E804-R911 PolarHBondContact OE1-NH2 3.06Å; C805-R911 PolarHBondContact O-NH2 3.34Å; L806-R911 VanDerWaalsContact O-CB 3.23Å; L806-R911 WeakPolarHBondContact O-CB 3.47Å; L806-R911 PolarHBondContact O-N 3.24Å; L806-R911 VanDerWaalsContact O-N 3.13Å; C810-R911 PolarHBondContact O-NH2 2.78Å; W828-R911 VanDerWaalsContact CH2-O 3.25Å; W828-R911 WeakPolarHBondContact CH2-O 3.29Å; W828-R911 HydrophobicContact CZ3-CB 4.49Å; R909-R911 PolarHBondContact O-N 3.45Å; R911-V913 PolarHBondContact O-N 2.92Å; R911-V913 VanDerWaalsContact O-N 3.07Å; R911-L955 PolarHBondContact NH1-O 2.9Å
912	N	79.5	Confident	83.6	Confident	78 Å²	78	66 Å²	66	42%	0.417	34%	0.338	S	S	.	.			trans	-64.1	112.7	173.4	-163	-11	0	0	0	111.3	E914 E915	N912-E914 PolarHBondContact OD1-N 3.29Å; N912-E915 HydrophobicContact CB-CB 4.26Å; N912-E915 VanDerWaalsContact CG-CB 3.5Å; N912-E915 VanDerWaalsContact ND2-CB 3.3Å; N912-E915 WeakPolarHBondContact ND2-CB 3.45Å; N912-E915 PolarHBondContact ND2-OE2 2.91Å; N912-E915 PolarHBondContact OD1-N 2.73Å
913	V	71.1	Confident	83.4	Confident	35 Å²	35	65.8 Å²	65.8	21%	0.212	33%	0.327	C	S	.	.	S	Bend	trans	-91.6	-30.5	-179.6	161.3	0	0	0	0	111.7	W828 R911 L955	W828-V913 HydrophobicContact CH2-CG2 3.81Å; W828-V913 HydrophobicContact CZ3-CG2 4.36Å; R911-V913 PolarHBondContact O-N 2.92Å; R911-V913 VanDerWaalsContact O-N 3.07Å; V913-L955 HydrophobicContact CB-CD2 4.46Å; V913-L955 HydrophobicContact CG1-CD2 3.6Å; V913-L955 HydrophobicContact CG2-CD1 4.07Å; V913-L955 HydrophobicContact CG2-CD2 4.13Å
914	E	69.3	Low	83.1	Confident	153 Å²	153	66 Å²	66	72%	0.715	33%	0.33	S	S	*	.	H	α-helix	trans	-81.7	-32.8	-169.8	-63	178.2	168.9	0	0	111.4	N912 K916 R917 A918	N912-E914 PolarHBondContact OD1-N 3.29Å; E914-K916 PolarHBondContact O-N 3.39Å; E914-R917 PolarHBondContact O-N 3.22Å; E914-R917 VanDerWaalsContact O-N 3.1Å; E914-A918 PolarHBondContact O-N 2.85Å
915	E	73.6	Confident	83	Confident	90 Å²	90	65.3 Å²	65.3	42%	0.421	32%	0.316	S	S	.	.	H	α-helix	trans	-56.6	-42.2	177.9	175.1	172.5	-177.8	0	0	114.1	N912 R917 A918 Q919	N912-E915 HydrophobicContact CB-CB 4.26Å; N912-E915 VanDerWaalsContact CG-CB 3.5Å; N912-E915 VanDerWaalsContact ND2-CB 3.3Å; N912-E915 WeakPolarHBondContact ND2-CB 3.45Å; N912-E915 PolarHBondContact ND2-OE2 2.91Å; N912-E915 PolarHBondContact OD1-N 2.73Å; E915-R917 VanDerWaalsContact C-N 3.28Å; E915-R917 PolarHBondContact O-N 2.88Å; E915-A918 WeakPolarHBondContact O-CB 3.34Å; E915-A918 PolarHBondContact O-N 2.98Å; E915-A918 VanDerWaalsContact O-N 3.15Å; E915-Q919 VanDerWaalsContact CG-NE2 3.27Å; E915-Q919 WeakPolarHBondContact O-CB 3.5Å; E915-Q919 WeakPolarHBondContact O-CG 3.48Å; E915-Q919 PolarHBondContact O-N 3.42Å; E915-Q919 PolarHBondContact OE1-NE2 3.09Å; E915-Q919 VanDerWaalsContact OE1-NE2 3.12Å
916	K	69.6	Low	83	Confident	39 Å²	39	63.8 Å²	63.8	17%	0.17	31%	0.307	C	S	.	.	H	α-helix	trans	-58.7	-38.3	175.4	-75.4	-178.1	173.2	-179.2	0	113	E914 S920 L955 D956	E914-K916 PolarHBondContact O-N 3.39Å; K916-S920 PolarHBondContact O-N 3.37Å; K916-L955 PolarHBondContact NZ-O 2.92Å; K916-D956 VanDerWaalsContact NZ-C 3.27Å; K916-D956 PolarHBondContact NZ-O 3.5Å
917	R	73.3	Confident	83.1	Confident	131 Å²	131	59.9 Å²	59.9	49%	0.494	29%	0.292	S	S	.	.	H	α-helix	trans	-74.1	-41.1	176.7	-69.5	-179.3	177.1	171.2	-2.8	110.2	E914 E915 Q919 S920 E954	E914-R917 PolarHBondContact O-N 3.22Å; E914-R917 VanDerWaalsContact O-N 3.1Å; E915-R917 VanDerWaalsContact C-N 3.28Å; E915-R917 PolarHBondContact O-N 2.88Å; R917-Q919 VanDerWaalsContact C-N 3.32Å; R917-Q919 PolarHBondContact O-N 3.17Å; R917-S920 PolarHBondContact O-N 3.13Å; R917-S920 VanDerWaalsContact O-N 3.11Å; R917-S920 PolarHBondContact O-OG 3.4Å; R917-E954 IonicContact CZ-OE1 2.78Å; R917-E954 IonicContact NE-OE1 3.22Å; R917-E954 IonicContact NH2-OE1 2.66Å; R917-E954 PolarHBondContact NH2-OE1 3.41Å
918	A	75.9	Confident	83.2	Confident	67 Å²	67	59.2 Å²	59.2	55%	0.554	28%	0.279	S	S	*	.	H	α-helix	trans	-59.8	-39.6	176.5	0	0	0	0	0	112.7	E914 E915 S920 R943	E914-A918 PolarHBondContact O-N 2.85Å; E915-A918 WeakPolarHBondContact O-CB 3.34Å; E915-A918 PolarHBondContact O-N 2.98Å; E915-A918 VanDerWaalsContact O-N 3.15Å; A918-S920 VanDerWaalsContact C-N 3.28Å; A918-S920 PolarHBondContact O-N 2.77Å; A918-R943 PolarHBondContact O-NH1 2.63Å
919	Q	76.1	Confident	82.9	Confident	75 Å²	75	61.9 Å²	61.9	35%	0.35	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-6.2	176.8	-70.7	166.6	-0.3	0	0	114.1	E915 R917 R943	E915-Q919 VanDerWaalsContact CG-NE2 3.27Å; E915-Q919 WeakPolarHBondContact O-CB 3.5Å; E915-Q919 WeakPolarHBondContact O-CG 3.48Å; E915-Q919 PolarHBondContact O-N 3.42Å; E915-Q919 PolarHBondContact OE1-NE2 3.09Å; E915-Q919 VanDerWaalsContact OE1-NE2 3.12Å; R917-Q919 VanDerWaalsContact C-N 3.32Å; R917-Q919 PolarHBondContact O-N 3.17Å; Q919-R943 PolarHBondContact O-N 3.5Å
920	S	84.3	Confident	82.2	Confident	11 Å²	11	58 Å²	58	8%	0.077	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	145.8	179.3	72.1	0	0	0	0	113.1	K916 R917 A918 L941 R943	K916-S920 PolarHBondContact O-N 3.37Å; R917-S920 PolarHBondContact O-N 3.13Å; R917-S920 VanDerWaalsContact O-N 3.11Å; R917-S920 PolarHBondContact O-OG 3.4Å; A918-S920 VanDerWaalsContact C-N 3.28Å; A918-S920 PolarHBondContact O-N 2.77Å; S920-L941 CarbonylContact C-O 3.59Å; S920-L941 VanDerWaalsContact CA-O 3.31Å; S920-L941 WeakPolarHBondContact CA-O 3.49Å; S920-R943 PolarHBondContact O-NH2 2.93Å
921	I	85.9	Confident	81	Confident	53 Å²	53	64.9 Å²	64.9	27%	0.272	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-51.7	165.6	-57.1	-177.9	0	0	0	108.9	L941 R943 L946 A1015 K1019	I921-L941 HydrophobicContact CB-CG 4.43Å; I921-L941 HydrophobicContact CD1-CD2 4.17Å; I921-L941 HydrophobicContact CD1-CG 4.2Å; I921-L941 PolarHBondContact N-O 2.81Å; I921-R943 HydrophobicContact CD1-CB 4.46Å; I921-R943 HydrophobicContact CD1-CG 4.48Å; I921-R943 HydrophobicContact CG1-CB 3.84Å; I921-R943 HydrophobicContact CG1-CG 4.12Å; I921-L946 HydrophobicContact CD1-CD2 4.01Å; I921-A1015 HydrophobicContact CG2-CB 3.77Å; I921-K1019 HydrophobicContact CD1-CG 4.38Å
922	V	89.3	Confident	80.1	Confident	10 Å²	10	73.1 Å²	73.1	6%	0.061	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	144.7	173.4	58	0	0	0	0	109.2	L940 L941 K1011 W1012 A1015	V922-L940 CarbonylContact O-C 3.24Å; V922-L940 WeakPolarHBondContact O-CA 3.2Å; V922-L941 HydrophobicContact CG1-CB 3.87Å; V922-L941 PolarHBondContact O-N 3.44Å; V922-K1011 HydrophobicContact CG2-CB 4.09Å; V922-W1012 HydrophobicContact CG1-CD2 3.91Å; V922-W1012 HydrophobicContact CG1-CE3 3.48Å; V922-W1012 VanDerWaalsContact CG1-CE3 3.48Å; V922-W1012 HydrophobicContact CG1-CH2 3.93Å; V922-W1012 HydrophobicContact CG1-CZ2 4.32Å; V922-W1012 HydrophobicContact CG1-CZ3 3.49Å; V922-W1012 VanDerWaalsContact CG1-CZ3 3.49Å; V922-W1012 HydrophobicContact CG2-CD2 3.86Å; V922-W1012 HydrophobicContact CG2-CE3 4.31Å; V922-W1012 HydrophobicContact CG2-CG 4.13Å; V922-W1012 HydrophobicContact CG2-CZ2 4.2Å; V922-A1015 HydrophobicContact CB-CB 3.91Å; V922-A1015 HydrophobicContact CG1-CB 3.52Å
923	F	89.4	Confident	80	Confident	51 Å²	51	73.5 Å²	73.5	22%	0.224	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	133.9	177.3	178.5	-79.8	0	0	0	108.5	H938 A939 L940 E954	F923-H938 HydrophobicContact CZ-CB 4.43Å; F923-A939 WeakPolarHBondContact CA-O 3.31Å; F923-L940 HydrophobicContact CB-CB 4.27Å; F923-L940 HydrophobicContact CD2-CB 3.67Å; F923-L940 HydrophobicContact CD2-CD2 3.88Å; F923-L940 HydrophobicContact CD2-CG 4.44Å; F923-L940 HydrophobicContact CE2-CB 4.47Å; F923-L940 HydrophobicContact CE2-CD2 4.16Å; F923-L940 HydrophobicContact CG-CB 4.38Å; F923-E954 HydrophobicContact CE1-CG 3.65Å; F923-E954 HydrophobicContact CZ-CG 3.53Å
924	G	88.6	Confident	80.7	Confident	12 Å²	12	75.5 Å²	75.5	12%	0.124	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175	169.2	177.4	0	0	0	0	0	115.2	H938 A939	G924-H938 CarbonylContact O-C 3.58Å; G924-H938 WeakPolarHBondContact O-CA 3.39Å; G924-A939 PolarHBondContact N-O 2.77Å; G924-A939 PolarHBondContact O-N 3.36Å
925	R	91	Very high	81.6	Confident	98 Å²	98	70.2 Å²	70.2	37%	0.37	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	135.8	168.4	178.1	171.2	168.2	-95.8	-5.8	109.6	Y927 V936 R937 D1004	R925-Y927 VanDerWaalsContact CZ-OH 3.27Å; R925-Y927 PolarHBondContact NH1-OH 3.3Å; R925-Y927 VanDerWaalsContact NH2-CZ 3.27Å; R925-Y927 PolarHBondContact NH2-OH 2.82Å; R925-V936 HydrophobicContact CG-CG1 4.03Å; R925-R937 WeakPolarHBondContact CA-O 3.41Å; R925-D1004 IonicContact CZ-OD2 2.74Å; R925-D1004 IonicContact NH1-OD2 3.17Å; R925-D1004 PolarHBondContact NH1-OD2 2.99Å
926	V	92.7	Very high	82.4	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	162.4	179.9	-55	0	0	0	0	110.7	R937 A939 F950 F1001 R1002 V1003 W1012	V926-R937 HydrophobicContact CG2-CB 4.16Å; V926-R937 PolarHBondContact N-O 3.4Å; V926-R937 PolarHBondContact O-N 2.94Å; V926-R937 VanDerWaalsContact O-O 3.1Å; V926-A939 HydrophobicContact CB-CB 4.48Å; V926-A939 HydrophobicContact CG1-CB 3.95Å; V926-A939 HydrophobicContact CG2-CB 3.63Å; V926-F950 HydrophobicContact CG2-CD1 4.04Å; V926-F950 HydrophobicContact CG2-CE1 3.98Å; V926-F1001 HydrophobicContact CB-CD2 3.79Å; V926-F1001 HydrophobicContact CB-CE2 4.44Å; V926-F1001 HydrophobicContact CB-CG 4.48Å; V926-F1001 HydrophobicContact CG1-CD2 3.77Å; V926-F1001 HydrophobicContact CG1-CE2 3.91Å; V926-F1001 HydrophobicContact CG2-CD2 4.29Å; V926-R1002 WeakPolarHBondContact CA-O 3.38Å; V926-V1003 HydrophobicContact CG1-CG2 4.2Å; V926-W1012 HydrophobicContact CG1-CZ2 3.96Å
927	Y	92	Very high	83.4	Confident	39 Å²	39	69.8 Å²	69.8	15%	0.153	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	94.4	174.7	-57.5	-107.7	0	0	0	107.3	R925 R929 V936 F1001 R1002 D1004	R925-Y927 VanDerWaalsContact CZ-OH 3.27Å; R925-Y927 PolarHBondContact NH1-OH 3.3Å; R925-Y927 VanDerWaalsContact NH2-CZ 3.27Å; R925-Y927 PolarHBondContact NH2-OH 2.82Å; Y927-R929 PolarHBondContact O-N 3.09Å; Y927-V936 HydrophobicContact CD1-CG2 3.91Å; Y927-V936 HydrophobicContact CE1-CG2 3.88Å; Y927-F1001 CarbonylContact O-C 3.44Å; Y927-F1001 VanDerWaalsContact O-CA 3.27Å; Y927-F1001 WeakPolarHBondContact O-CA 3.23Å; Y927-R1002 PolarHBondContact N-O 2.71Å; Y927-R1002 PolarHBondContact O-N 3.03Å; Y927-D1004 HydrophobicContact CE2-CB 3.69Å; Y927-D1004 VanDerWaalsContact CE2-OD2 3.27Å; Y927-D1004 WeakPolarHBondContact CE2-OD2 3.41Å; Y927-D1004 PolarHBondContact OH-OD2 2.79Å
928	L	89.8	Confident	84.3	Confident	25 Å²	25	65 Å²	65	13%	0.131	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	116.9	179.6	178.5	62.5	0	0	0	108.7	T935 R937 F950 L961 I999 F1001	L928-T935 PolarHBondContact N-O 2.62Å; L928-T935 PolarHBondContact O-N 2.85Å; L928-T935 PolarHBondContact O-OG1 2.89Å; L928-R937 HydrophobicContact CB-CG 3.93Å; L928-R937 HydrophobicContact CD2-CG 4.25Å; L928-F950 HydrophobicContact CB-CD1 4.46Å; L928-F950 HydrophobicContact CB-CE1 4.48Å; L928-F950 HydrophobicContact CD1-CD1 4.35Å; L928-F950 HydrophobicContact CD1-CE1 3.84Å; L928-F950 HydrophobicContact CD1-CZ 3.98Å; L928-F950 HydrophobicContact CD2-CD1 4.17Å; L928-F950 HydrophobicContact CD2-CE1 4.48Å; L928-F950 HydrophobicContact CD2-CG 4.33Å; L928-F950 HydrophobicContact CG-CE1 4.5Å; L928-L961 HydrophobicContact CD2-CD2 4.32Å; L928-I999 HydrophobicContact CD1-CG2 4.43Å; L928-F1001 HydrophobicContact CD1-CB 4.27Å
929	R	85.4	Confident	85	Confident	119 Å²	119	61.8 Å²	61.8	45%	0.449	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	123.9	-174.3	-168	178.5	-168.6	-175.5	6.3	109.5	Y927 E934 S1000	Y927-R929 PolarHBondContact O-N 3.09Å; R929-E934 HydrophobicContact CB-CG 4.35Å; R929-E934 HydrophobicContact CG-CG 4.17Å; R929-S1000 WeakPolarHBondContact CB-O 3.22Å; R929-S1000 PolarHBondContact N-O 3.29Å
930	S	77.3	Confident	85.8	Confident	74 Å²	74	58.5 Å²	58.5	52%	0.517	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	166.2	168.9	-171.6	0	0	0	0	109.4	K932 T933	S930-K932 PolarHBondContact O-N 3.13Å; S930-T933 PolarHBondContact N-O 2.96Å; S930-T933 PolarHBondContact O-N 3.32Å; S930-T933 VanDerWaalsContact O-N 3.11Å
931	R	64.3	Low	86.1	Confident	176 Å²	176	58 Å²	58	66%	0.664	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-12.3	-169.9	-66.1	-179.4	177.2	165.5	0.7	116.1	K995	R931-K995 PolarHBondContact NH2-O 3.36Å
932	K	64.4	Low	86.2	Confident	200 Å²	200	57.7 Å²	57.7	87%	0.87	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.8	-2.4	174.1	-63.7	-168.5	176.9	-171.6	0	115.4	S930	S930-K932 PolarHBondContact O-N 3.13Å
933	T	77.2	Confident	86	Confident	86 Å²	86	63 Å²	63	53%	0.528	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	143	-170.6	49.9	0	0	0	0	112.4	S930	S930-T933 PolarHBondContact N-O 2.96Å; S930-T933 PolarHBondContact O-N 3.32Å; S930-T933 VanDerWaalsContact O-N 3.11Å
934	E	85.4	Confident	85.7	Confident	76 Å²	76	66.3 Å²	66.3	36%	0.355	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	144.8	164.9	-68.8	-169.1	152.3	0	0	111	R929 R1002	R929-E934 HydrophobicContact CB-CG 4.35Å; R929-E934 HydrophobicContact CG-CG 4.17Å; E934-R1002 IonicContact OE1-CZ 2.77Å; E934-R1002 IonicContact OE1-NE 2.73Å; E934-R1002 PolarHBondContact OE1-NE 2.95Å; E934-R1002 IonicContact OE1-NH2 3.13Å; E934-R1002 IonicContact OE2-CZ 3.24Å; E934-R1002 IonicContact OE2-NE 2.68Å; E934-R1002 PolarHBondContact OE2-NE 3.16Å; E934-R1002 IonicContact OE2-NH2 2.34Å; E934-R1002 PolarHBondContact OE2-NH2 3.05Å
935	T	88.4	Confident	85.5	Confident	42 Å²	42	68 Å²	68	26%	0.258	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	127.4	175.7	65.2	0	0	0	0	111.7	L928 R937	L928-T935 PolarHBondContact N-O 2.62Å; L928-T935 PolarHBondContact O-N 2.85Å; L928-T935 PolarHBondContact O-OG1 2.89Å; T935-R937 PolarHBondContact O-N 3.49Å; T935-R937 PolarHBondContact OG1-NH2 2.74Å
936	V	90	Very high	85.2	Confident	61 Å²	61	65 Å²	65	37%	0.37	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	127.8	177.1	-179.6	0	0	0	0	109.9	R925 Y927	R925-V936 HydrophobicContact CG-CG1 4.03Å; Y927-V936 HydrophobicContact CD1-CG2 3.91Å; Y927-V936 HydrophobicContact CE1-CG2 3.88Å
937	R	91.6	Very high	85.1	Confident	60 Å²	60	68.2 Å²	68.2	23%	0.226	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	168.7	176.8	-63.2	-64.2	175.9	-102	-1.4	109.8	R925 V926 L928 T935 F950 Y951	R925-R937 WeakPolarHBondContact CA-O 3.41Å; V926-R937 HydrophobicContact CG2-CB 4.16Å; V926-R937 PolarHBondContact N-O 3.4Å; V926-R937 PolarHBondContact O-N 2.94Å; V926-R937 VanDerWaalsContact O-O 3.1Å; L928-R937 HydrophobicContact CB-CG 3.93Å; L928-R937 HydrophobicContact CD2-CG 4.25Å; T935-R937 PolarHBondContact O-N 3.49Å; T935-R937 PolarHBondContact OG1-NH2 2.74Å; R937-F950 HydrophobicContact CB-CB 4.48Å; R937-F950 HydrophobicContact CB-CD1 4.29Å; R937-Y951 WeakPolarHBondContact CA-O 3.31Å; R937-Y951 WeakPolarHBondContact CB-O 3.47Å; R937-Y951 WeakPolarHBondContact CD-O 3.35Å
938	H	91.3	Very high	85	Confident	30 Å²	30	66.4 Å²	66.4	14%	0.139	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	120.9	162.5	-65.8	75.9	0	0	0	107.6	F923 G924 F950 Y951	F923-H938 HydrophobicContact CZ-CB 4.43Å; G924-H938 CarbonylContact O-C 3.58Å; G924-H938 WeakPolarHBondContact O-CA 3.39Å; H938-F950 CarbonylContact O-C 3.51Å; H938-F950 WeakPolarHBondContact O-CA 3.34Å; H938-Y951 PolarHBondContact N-O 3.21Å; H938-Y951 PolarHBondContact O-N 3.43Å
939	A	91.4	Very high	85.1	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	148.7	179.5	0	0	0	0	0	110.9	F923 G924 V926 V949 F950 W1012	F923-A939 WeakPolarHBondContact CA-O 3.31Å; G924-A939 PolarHBondContact N-O 2.77Å; G924-A939 PolarHBondContact O-N 3.36Å; V926-A939 HydrophobicContact CB-CB 4.48Å; V926-A939 HydrophobicContact CG1-CB 3.95Å; V926-A939 HydrophobicContact CG2-CB 3.63Å; A939-V949 CarbonylContact C-O 3.55Å; A939-V949 VanDerWaalsContact CA-O 3.27Å; A939-V949 WeakPolarHBondContact CA-O 3.05Å; A939-F950 HydrophobicContact CB-CD1 3.66Å; A939-F950 HydrophobicContact CB-CE1 3.77Å; A939-F950 HydrophobicContact CB-CG 4.37Å; A939-W1012 HydrophobicContact CB-CH2 3.59Å; A939-W1012 HydrophobicContact CB-CZ2 3.73Å
940	L	91.6	Very high	85.4	Confident	6 Å²	6	59.5 Å²	59.5	3%	0.031	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	150.1	167.8	74	81.3	0	0	0	111.2	V922 F923 R942 L948 V949 Y951	V922-L940 CarbonylContact O-C 3.24Å; V922-L940 WeakPolarHBondContact O-CA 3.2Å; F923-L940 HydrophobicContact CB-CB 4.27Å; F923-L940 HydrophobicContact CD2-CB 3.67Å; F923-L940 HydrophobicContact CD2-CD2 3.88Å; F923-L940 HydrophobicContact CD2-CG 4.44Å; F923-L940 HydrophobicContact CE2-CB 4.47Å; F923-L940 HydrophobicContact CE2-CD2 4.16Å; F923-L940 HydrophobicContact CG-CB 4.38Å; L940-R942 HydrophobicContact CD1-CB 3.99Å; L940-L948 CarbonylContact O-C 3.5Å; L940-L948 WeakPolarHBondContact O-CA 3.33Å; L940-V949 HydrophobicContact CD1-CB 4.39Å; L940-V949 HydrophobicContact CG-CB 4.39Å; L940-V949 PolarHBondContact N-O 2.97Å; L940-V949 PolarHBondContact O-N 3.14Å; L940-Y951 HydrophobicContact CD2-CE2 3.65Å; L940-Y951 HydrophobicContact CG-CE2 4.05Å
941	L	91.2	Very high	86	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	117	164.9	176.9	54.6	0	0	0	108.4	S920 I921 V922 I965 A1015 F1016	S920-L941 CarbonylContact C-O 3.59Å; S920-L941 VanDerWaalsContact CA-O 3.31Å; S920-L941 WeakPolarHBondContact CA-O 3.49Å; I921-L941 HydrophobicContact CB-CG 4.43Å; I921-L941 HydrophobicContact CD1-CD2 4.17Å; I921-L941 HydrophobicContact CD1-CG 4.2Å; I921-L941 PolarHBondContact N-O 2.81Å; V922-L941 HydrophobicContact CG1-CB 3.87Å; V922-L941 PolarHBondContact O-N 3.44Å; L941-I965 HydrophobicContact CD1-CD1 3.58Å; L941-I965 HydrophobicContact CD1-CG1 4.1Å; L941-I965 HydrophobicContact CD2-CD1 4.08Å; L941-I965 HydrophobicContact CG-CD1 4.48Å; L941-A1015 HydrophobicContact CD2-CB 4.49Å; L941-F1016 HydrophobicContact CD2-CD1 4.47Å; L941-F1016 HydrophobicContact CD2-CE1 4.45Å
942	R	88.7	Confident	87.1	Confident	47 Å²	47	52.8 Å²	52.8	18%	0.177	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	135.9	179.9	-166.7	-178.6	-57.6	127.7	-2.5	109.9	L940 D945 L946 K947 E962	L940-R942 HydrophobicContact CD1-CB 3.99Å; R942-D945 WeakPolarHBondContact CB-OD1 3.23Å; R942-D945 VanDerWaalsContact CD-OD1 3.31Å; R942-D945 WeakPolarHBondContact CD-OD1 3.48Å; R942-D945 IonicContact CZ-OD2 2.69Å; R942-D945 IonicContact NH1-OD1 2.66Å; R942-D945 PolarHBondContact NH1-OD1 2.73Å; R942-D945 IonicContact NH1-OD2 3.65Å; R942-D945 PolarHBondContact NH1-OD2 2.69Å; R942-L946 WeakPolarHBondContact O-CA 3.35Å; R942-L946 PolarHBondContact O-N 3.07Å; R942-K947 PolarHBondContact N-O 3Å; R942-E962 IonicContact CZ-OE2 3.05Å; R942-E962 IonicContact NH1-OE2 2.67Å; R942-E962 IonicContact NH2-OE1 2.63Å; R942-E962 IonicContact NH2-OE2 3.88Å; R942-E962 PolarHBondContact NH2-OE2 2.82Å
943	R	83.9	Confident	88.3	Confident	122 Å²	122	43.5 Å²	43.5	46%	0.46	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-37.9	-174.1	-174.7	178.1	-65.5	93.3	5.1	113.3	A918 Q919 S920 I921	A918-R943 PolarHBondContact O-NH1 2.63Å; Q919-R943 PolarHBondContact O-N 3.5Å; S920-R943 PolarHBondContact O-NH2 2.93Å; I921-R943 HydrophobicContact CD1-CB 4.46Å; I921-R943 HydrophobicContact CD1-CG 4.48Å; I921-R943 HydrophobicContact CG1-CB 3.84Å; I921-R943 HydrophobicContact CG1-CG 4.12Å
944	D	82.7	Confident	88.7	Confident	120 Å²	120	41.3 Å²	41.3	64%	0.642	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-24.2	-162.9	-42.2	-51.9	0	0	0	113.3
945	D	84.6	Confident	88.7	Confident	47 Å²	47	38.3 Å²	38.3	25%	0.251	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.7	6.7	-176	70.8	-2.7	0	0	0	114.3	R942 K947 L964	R942-D945 WeakPolarHBondContact CB-OD1 3.23Å; R942-D945 VanDerWaalsContact CD-OD1 3.31Å; R942-D945 WeakPolarHBondContact CD-OD1 3.48Å; R942-D945 IonicContact CZ-OD2 2.69Å; R942-D945 IonicContact NH1-OD1 2.66Å; R942-D945 PolarHBondContact NH1-OD1 2.73Å; R942-D945 IonicContact NH1-OD2 3.65Å; R942-D945 PolarHBondContact NH1-OD2 2.69Å; D945-K947 PolarHBondContact O-N 3.15Å; D945-K947 VanDerWaalsContact O-N 3.15Å; D945-K947 WeakPolarHBondContact OD1-CB 3.48Å; D945-K947 PolarHBondContact OD1-N 2.71Å; D945-K947 VanDerWaalsContact OD1-N 3.08Å; D945-K947 WeakPolarHBondContact OD2-CD 3.36Å; D945-K947 WeakPolarHBondContact OD2-CG 3.24Å; D945-K947 IonicContact OD2-NZ 3.84Å; D945-K947 PolarHBondContact OD2-NZ 3.1Å; D945-L964 WeakPolarHBondContact O-CD1 3.46Å
946	L	86.2	Confident	88.7	Confident	36 Å²	36	36.5 Å²	36.5	19%	0.188	17%	0.17	C	C	.	.			trans	45.1	42.5	-175.8	-58.9	178.7	0	0	0	113.5	I921 R942 I965 K1019	I921-L946 HydrophobicContact CD1-CD2 4.01Å; R942-L946 WeakPolarHBondContact O-CA 3.35Å; R942-L946 PolarHBondContact O-N 3.07Å; L946-I965 VanDerWaalsContact O-CG1 3.25Å; L946-I965 WeakPolarHBondContact O-CG1 3.37Å; L946-I965 PolarHBondContact O-N 3.16Å; L946-K1019 HydrophobicContact CD1-CD 4.17Å; L946-K1019 HydrophobicContact CD2-CB 4.39Å; L946-K1019 HydrophobicContact CD2-CD 3.96Å; L946-K1019 HydrophobicContact CD2-CG 4.02Å
947	K	89.4	Confident	88.4	Confident	66 Å²	66	36.4 Å²	36.4	29%	0.287	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	124.6	167.5	-65.7	-165.5	-168.3	94.2	0	111.7	R942 D945 V949 L963 L964	R942-K947 PolarHBondContact N-O 3Å; D945-K947 PolarHBondContact O-N 3.15Å; D945-K947 VanDerWaalsContact O-N 3.15Å; D945-K947 WeakPolarHBondContact OD1-CB 3.48Å; D945-K947 PolarHBondContact OD1-N 2.71Å; D945-K947 VanDerWaalsContact OD1-N 3.08Å; D945-K947 WeakPolarHBondContact OD2-CD 3.36Å; D945-K947 WeakPolarHBondContact OD2-CG 3.24Å; D945-K947 IonicContact OD2-NZ 3.84Å; D945-K947 PolarHBondContact OD2-NZ 3.1Å; K947-V949 HydrophobicContact CB-CG2 3.96Å; K947-L963 CarbonylContact C-O 3.57Å; K947-L963 VanDerWaalsContact CA-O 3.25Å; K947-L963 WeakPolarHBondContact CA-O 3.45Å; K947-L964 HydrophobicContact CG-CB 4.49Å; K947-L964 HydrophobicContact CG-CD1 4.17Å
948	L	90.8	Very high	88	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	120.5	163.8	-179.1	62	0	0	0	108.4	L940 F950 L963 I965 L983 F1001 W1012	L940-L948 CarbonylContact O-C 3.5Å; L940-L948 WeakPolarHBondContact O-CA 3.33Å; L948-F950 HydrophobicContact CD1-CZ 4.44Å; L948-F950 HydrophobicContact CD2-CE2 3.92Å; L948-F950 HydrophobicContact CD2-CZ 3.83Å; L948-F950 HydrophobicContact CG-CE2 3.74Å; L948-F950 HydrophobicContact CG-CZ 3.95Å; L948-L963 PolarHBondContact N-O 2.94Å; L948-L963 PolarHBondContact O-N 2.6Å; L948-I965 HydrophobicContact CB-CG2 3.69Å; L948-I965 HydrophobicContact CD2-CG2 4.23Å; L948-L983 HydrophobicContact CD2-CD2 4.02Å; L948-F1001 HydrophobicContact CD2-CE1 4.06Å; L948-W1012 HydrophobicContact CD1-CH2 3.86Å; L948-W1012 HydrophobicContact CD1-CZ3 3.57Å
949	V	91.1	Very high	87.8	Confident	0 Å²	0	40 Å²	40	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	129.7	-170.7	-178.7	0	0	0	0	111.1	A939 L940 K947 Y951 L961 E962	A939-V949 CarbonylContact C-O 3.55Å; A939-V949 VanDerWaalsContact CA-O 3.27Å; A939-V949 WeakPolarHBondContact CA-O 3.05Å; L940-V949 HydrophobicContact CD1-CB 4.39Å; L940-V949 HydrophobicContact CG-CB 4.39Å; L940-V949 PolarHBondContact N-O 2.97Å; L940-V949 PolarHBondContact O-N 3.14Å; K947-V949 HydrophobicContact CB-CG2 3.96Å; V949-Y951 HydrophobicContact CB-CE2 4.22Å; V949-Y951 HydrophobicContact CG1-CD2 4.32Å; V949-Y951 HydrophobicContact CG1-CE1 4.23Å; V949-Y951 HydrophobicContact CG1-CE2 3.56Å; V949-Y951 VanDerWaalsContact CG1-CZ 3.5Å; V949-Y951 WeakPolarHBondContact CG1-OH 3.26Å; V949-L961 WeakPolarHBondContact CA-O 3.4Å; V949-E962 HydrophobicContact CB-CG 4.47Å; V949-E962 HydrophobicContact CG1-CG 3.89Å; V949-E962 HydrophobicContact CG2-CB 4.05Å; V949-E962 HydrophobicContact CG2-CG 3.95Å
950	F	91.3	Very high	87.6	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	138.9	-178.7	-58.3	-98.8	0	0	0	111.5	V926 L928 R937 H938 A939 L948 S959 V960 L961 I999 F1001	V926-F950 HydrophobicContact CG2-CD1 4.04Å; V926-F950 HydrophobicContact CG2-CE1 3.98Å; L928-F950 HydrophobicContact CB-CD1 4.46Å; L928-F950 HydrophobicContact CB-CE1 4.48Å; L928-F950 HydrophobicContact CD1-CD1 4.35Å; L928-F950 HydrophobicContact CD1-CE1 3.84Å; L928-F950 HydrophobicContact CD1-CZ 3.98Å; L928-F950 HydrophobicContact CD2-CD1 4.17Å; L928-F950 HydrophobicContact CD2-CE1 4.48Å; L928-F950 HydrophobicContact CD2-CG 4.33Å; L928-F950 HydrophobicContact CG-CE1 4.5Å; R937-F950 HydrophobicContact CB-CB 4.48Å; R937-F950 HydrophobicContact CB-CD1 4.29Å; H938-F950 CarbonylContact O-C 3.51Å; H938-F950 WeakPolarHBondContact O-CA 3.34Å; A939-F950 HydrophobicContact CB-CD1 3.66Å; A939-F950 HydrophobicContact CB-CE1 3.77Å; A939-F950 HydrophobicContact CB-CG 4.37Å; L948-F950 HydrophobicContact CD1-CZ 4.44Å; L948-F950 HydrophobicContact CD2-CE2 3.92Å; L948-F950 HydrophobicContact CD2-CZ 3.83Å; L948-F950 HydrophobicContact CG-CE2 3.74Å; L948-F950 HydrophobicContact CG-CZ 3.95Å; F950-S959 CarbonylContact O-C 3.6Å; F950-S959 WeakPolarHBondContact O-CA 3.23Å; F950-V960 PolarHBondContact O-N 3.42Å; F950-L961 HydrophobicContact CB-CB 4.32Å; F950-L961 HydrophobicContact CD2-CB 3.95Å; F950-L961 HydrophobicContact CD2-CD2 3.86Å; F950-L961 HydrophobicContact CD2-CG 3.99Å; F950-L961 HydrophobicContact CE2-CD2 3.97Å; F950-L961 HydrophobicContact CE2-CG 4.41Å; F950-L961 PolarHBondContact N-O 3.42Å; F950-I999 HydrophobicContact CE2-CG2 4.45Å; F950-I999 HydrophobicContact CZ-CG2 4.22Å; F950-F1001 HydrophobicContact CE1-CB 4.45Å; F950-F1001 HydrophobicContact CE1-CD1 4.22Å; F950-F1001 HydrophobicContact CE1-CG 4.35Å; F950-F1001 HydrophobicContact CZ-CD1 4.05Å; F950-F1001 HydrophobicContact CZ-CE1 4.47Å
951	Y	90.7	Very high	87.3	Confident	14 Å²	14	45.9 Å²	45.9	6%	0.055	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	157.2	179.2	-60.4	-86	0	0	0	111.3	R937 H938 L940 V949 A953 D956	R937-Y951 WeakPolarHBondContact CA-O 3.31Å; R937-Y951 WeakPolarHBondContact CB-O 3.47Å; R937-Y951 WeakPolarHBondContact CD-O 3.35Å; H938-Y951 PolarHBondContact N-O 3.21Å; H938-Y951 PolarHBondContact O-N 3.43Å; L940-Y951 HydrophobicContact CD2-CE2 3.65Å; L940-Y951 HydrophobicContact CG-CE2 4.05Å; V949-Y951 HydrophobicContact CB-CE2 4.22Å; V949-Y951 HydrophobicContact CG1-CD2 4.32Å; V949-Y951 HydrophobicContact CG1-CE1 4.23Å; V949-Y951 HydrophobicContact CG1-CE2 3.56Å; V949-Y951 VanDerWaalsContact CG1-CZ 3.5Å; V949-Y951 WeakPolarHBondContact CG1-OH 3.26Å; Y951-A953 WeakPolarHBondContact CB-O 3.32Å; Y951-D956 WeakPolarHBondContact CD1-O 3.49Å; Y951-D956 WeakPolarHBondContact CE1-O 3.38Å
952	K	87.9	Confident	87.2	Confident	95 Å²	95	49.8 Å²	49.8	41%	0.413	25%	0.245	S	C	.	.	S	Bend	trans	-69.5	-50.8	175.9	-58.5	177.6	-172.1	169.1	0	110.7	N803 E813 D956 V960	N803-K952 VanDerWaalsContact ND2-CB 3.3Å; N803-K952 WeakPolarHBondContact ND2-CB 3.48Å; E813-K952 IonicContact OE2-NZ 3.01Å; E813-K952 PolarHBondContact OE2-NZ 2.82Å; K952-D956 WeakPolarHBondContact CB-OD2 3.16Å; K952-V960 HydrophobicContact CB-CG2 4.43Å; K952-V960 HydrophobicContact CG-CG2 3.48Å; K952-V960 VanDerWaalsContact CG-CG2 3.48Å
953	A	88	Confident	87	Confident	4 Å²	4	48.9 Å²	48.9	3%	0.033	24%	0.243	C	C	.	.	S	Bend	trans	-130.3	170	172.8	0	0	0	0	0	111.9	N800 N803 Y951 L955 D956	N800-A953 WeakPolarHBondContact O-CB 3.38Å; N803-A953 WeakPolarHBondContact ND2-CB 3.18Å; N803-A953 PolarHBondContact ND2-N 3.48Å; Y951-A953 WeakPolarHBondContact CB-O 3.32Å; A953-L955 PolarHBondContact O-N 2.98Å; A953-D956 PolarHBondContact N-OD2 2.95Å; A953-D956 PolarHBondContact O-N 2.85Å
954	E	86.3	Confident	87.1	Confident	40 Å²	40	47.8 Å²	47.8	19%	0.187	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-39.8	-164.3	-159.9	-174.1	173.3	0	0	114.4	I801 R917 F923	I801-E954 HydrophobicContact CG1-CB 4.1Å; I801-E954 WeakPolarHBondContact CG1-OE2 3.3Å; I801-E954 PolarHBondContact O-N 2.76Å; R917-E954 IonicContact CZ-OE1 2.78Å; R917-E954 IonicContact NE-OE1 3.22Å; R917-E954 IonicContact NH2-OE1 2.66Å; R917-E954 PolarHBondContact NH2-OE1 3.41Å; F923-E954 HydrophobicContact CE1-CG 3.65Å; F923-E954 HydrophobicContact CZ-CG 3.53Å
955	L	86.6	Confident	87.3	Confident	13 Å²	13	42.1 Å²	42.1	7%	0.068	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-2.1	-173.1	-55.3	-173.4	0	0	0	114.6	L797 I801 L806 R911 V913 K916 A953 S957	L797-L955 HydrophobicContact CD1-CD1 4.48Å; I801-L955 HydrophobicContact CD1-CD1 4.14Å; I801-L955 HydrophobicContact CD1-CG 4.42Å; I801-L955 HydrophobicContact CG1-CD1 4.26Å; I801-L955 HydrophobicContact CG1-CG 4.16Å; I801-L955 HydrophobicContact CG2-CD1 3.99Å; I801-L955 HydrophobicContact CG2-CG 4.47Å; I801-L955 PolarHBondContact O-N 3.22Å; L806-L955 HydrophobicContact CD1-CD1 3.92Å; L806-L955 HydrophobicContact CD2-CB 3.63Å; L806-L955 HydrophobicContact CD2-CD1 3.99Å; L806-L955 HydrophobicContact CD2-CG 4.47Å; R911-L955 PolarHBondContact NH1-O 2.9Å; V913-L955 HydrophobicContact CB-CD2 4.46Å; V913-L955 HydrophobicContact CG1-CD2 3.6Å; V913-L955 HydrophobicContact CG2-CD1 4.07Å; V913-L955 HydrophobicContact CG2-CD2 4.13Å; K916-L955 PolarHBondContact NZ-O 2.92Å; A953-L955 PolarHBondContact O-N 2.98Å; L955-S957 PolarHBondContact O-N 2.87Å
956	D	87.7	Confident	87.1	Confident	5 Å²	5	48.7 Å²	48.7	3%	0.027	24%	0.238	C	C	.	.			trans	-58.9	129.7	-175.7	-65.8	-9	0	0	0	111.1	S802 N803 E804 K916 Y951 K952 A953	S802-D956 WeakPolarHBondContact CA-OD1 3.39Å; S802-D956 WeakPolarHBondContact CB-OD1 3.4Å; S802-D956 PolarHBondContact OG-OD1 3.46Å; N803-D956 PolarHBondContact N-OD1 2.98Å; N803-D956 PolarHBondContact ND2-OD2 3.23Å; E804-D956 HydrophobicContact CG-CB 4.45Å; K916-D956 VanDerWaalsContact NZ-C 3.27Å; K916-D956 PolarHBondContact NZ-O 3.5Å; Y951-D956 WeakPolarHBondContact CD1-O 3.49Å; Y951-D956 WeakPolarHBondContact CE1-O 3.38Å; K952-D956 WeakPolarHBondContact CB-OD2 3.16Å; A953-D956 PolarHBondContact N-OD2 2.95Å; A953-D956 PolarHBondContact O-N 2.85Å
957	S	82.9	Confident	86.6	Confident	58 Å²	58	47.8 Å²	47.8	41%	0.406	24%	0.237	S	C	.	.	S	Bend	trans	-70.5	-37.4	178.8	60.4	0	0	0	0	112	E804 L955	E804-S957 VanDerWaalsContact OE1-CB 3.24Å; E804-S957 WeakPolarHBondContact OE1-CB 3.25Å; E804-S957 PolarHBondContact OE1-N 3.27Å; E804-S957 PolarHBondContact OE1-OG 3.49Å; E804-S957 PolarHBondContact OE2-OG 3.42Å; L955-S957 PolarHBondContact O-N 2.87Å
958	K	83.8	Confident	86.4	Confident	129 Å²	129	46.2 Å²	46.2	56%	0.561	23%	0.23	S	C	*	.	S	Bend	trans	-84.5	117.4	-176.2	-172.7	173.4	174.9	-174.7	0	111.6	E813	E813-K958 IonicContact OE1-NZ 3.84Å; E813-K958 PolarHBondContact OE1-NZ 3.28Å
959	S	87.5	Confident	86	Confident	37 Å²	37	48.2 Å²	48.2	26%	0.259	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	155.1	169.6	42.6	0	0	0	0	111.9	F950 E962	F950-S959 CarbonylContact O-C 3.6Å; F950-S959 WeakPolarHBondContact O-CA 3.23Å; S959-E962 VanDerWaalsContact CB-OE1 3.28Å; S959-E962 WeakPolarHBondContact CB-OE1 3.38Å; S959-E962 WeakPolarHBondContact OG-CG 3.33Å; S959-E962 PolarHBondContact OG-OE1 3.47Å
960	V	86.9	Confident	85.9	Confident	69 Å²	69	48.9 Å²	48.9	42%	0.418	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-33.2	173.8	179.3	0	0	0	0	110.4	F950 K952	F950-V960 PolarHBondContact O-N 3.42Å; K952-V960 HydrophobicContact CB-CG2 4.43Å; K952-V960 HydrophobicContact CG-CG2 3.48Å; K952-V960 VanDerWaalsContact CG-CG2 3.48Å
961	L	84.6	Confident	85.6	Confident	61 Å²	61	52.8 Å²	52.8	32%	0.319	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	132.5	-178.6	176.7	61	0	0	0	107.7	L928 V949 F950 L963	L928-L961 HydrophobicContact CD2-CD2 4.32Å; V949-L961 WeakPolarHBondContact CA-O 3.4Å; F950-L961 HydrophobicContact CB-CB 4.32Å; F950-L961 HydrophobicContact CD2-CB 3.95Å; F950-L961 HydrophobicContact CD2-CD2 3.86Å; F950-L961 HydrophobicContact CD2-CG 3.99Å; F950-L961 HydrophobicContact CE2-CD2 3.97Å; F950-L961 HydrophobicContact CE2-CG 4.41Å; F950-L961 PolarHBondContact N-O 3.42Å; L961-L963 HydrophobicContact CD1-CD1 3.99Å; L961-L963 HydrophobicContact CD1-CG 4.44Å; L961-L963 HydrophobicContact CD2-CD1 3.87Å; L961-L963 HydrophobicContact CG-CD1 3.93Å
962	E	89.1	Confident	85.6	Confident	81 Å²	81	55.1 Å²	55.1	38%	0.379	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	136.6	167.5	-49	-143.3	176.4	0	0	108.5	R942 V949 S959	R942-E962 IonicContact CZ-OE2 3.05Å; R942-E962 IonicContact NH1-OE2 2.67Å; R942-E962 IonicContact NH2-OE1 2.63Å; R942-E962 IonicContact NH2-OE2 3.88Å; R942-E962 PolarHBondContact NH2-OE2 2.82Å; V949-E962 HydrophobicContact CB-CG 4.47Å; V949-E962 HydrophobicContact CG1-CG 3.89Å; V949-E962 HydrophobicContact CG2-CB 4.05Å; V949-E962 HydrophobicContact CG2-CG 3.95Å; S959-E962 VanDerWaalsContact CB-OE1 3.28Å; S959-E962 WeakPolarHBondContact CB-OE1 3.38Å; S959-E962 WeakPolarHBondContact OG-CG 3.33Å; S959-E962 PolarHBondContact OG-OE1 3.47Å
963	L	85.9	Confident	85.6	Confident	29 Å²	29	53.5 Å²	53.5	15%	0.152	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	122.6	-177.1	-99.5	149.3	0	0	0	110	K947 L948 L961 I965 Y968 I999	K947-L963 CarbonylContact C-O 3.57Å; K947-L963 VanDerWaalsContact CA-O 3.25Å; K947-L963 WeakPolarHBondContact CA-O 3.45Å; L948-L963 PolarHBondContact N-O 2.94Å; L948-L963 PolarHBondContact O-N 2.6Å; L961-L963 HydrophobicContact CD1-CD1 3.99Å; L961-L963 HydrophobicContact CD1-CG 4.44Å; L961-L963 HydrophobicContact CD2-CD1 3.87Å; L961-L963 HydrophobicContact CG-CD1 3.93Å; L963-I965 HydrophobicContact CB-CG2 4.48Å; L963-I965 PolarHBondContact O-N 2.83Å; L963-Y968 WeakPolarHBondContact CD2-OH 3.45Å; L963-I999 HydrophobicContact CD1-CB 4.48Å; L963-I999 HydrophobicContact CD1-CD1 3.52Å; L963-I999 HydrophobicContact CD1-CG1 3.53Å; L963-I999 HydrophobicContact CD1-CG2 4.34Å; L963-I999 HydrophobicContact CD2-CD1 3.79Å; L963-I999 HydrophobicContact CG-CD1 4.29Å
964	L	85.9	Confident	85.6	Confident	98 Å²	98	57.4 Å²	57.4	51%	0.513	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	110	168.1	-177.6	68.2	0	0	0	107.8	D945 K947 Y966 Y968	D945-L964 WeakPolarHBondContact O-CD1 3.46Å; K947-L964 HydrophobicContact CG-CB 4.49Å; K947-L964 HydrophobicContact CG-CD1 4.17Å; L964-Y966 VanDerWaalsContact C-N 3.3Å; L964-Y966 PolarHBondContact O-N 2.95Å; L964-Y968 WeakPolarHBondContact O-CE2 3.19Å
965	I	86.1	Confident	85.6	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.01	30%	0.3	C	S	.	.			trans	-89.2	10	-174.3	58.8	164.8	0	0	0	113.7	L941 L946 L948 L963 G967 Y968 L983 F1016 L1020	L941-I965 HydrophobicContact CD1-CD1 3.58Å; L941-I965 HydrophobicContact CD1-CG1 4.1Å; L941-I965 HydrophobicContact CD2-CD1 4.08Å; L941-I965 HydrophobicContact CG-CD1 4.48Å; L946-I965 VanDerWaalsContact O-CG1 3.25Å; L946-I965 WeakPolarHBondContact O-CG1 3.37Å; L946-I965 PolarHBondContact O-N 3.16Å; L948-I965 HydrophobicContact CB-CG2 3.69Å; L948-I965 HydrophobicContact CD2-CG2 4.23Å; L963-I965 HydrophobicContact CB-CG2 4.48Å; L963-I965 PolarHBondContact O-N 2.83Å; I965-G967 PolarHBondContact O-N 3.05Å; I965-Y968 HydrophobicContact CB-CD2 4.29Å; I965-Y968 WeakPolarHBondContact O-CB 3.26Å; I965-Y968 WeakPolarHBondContact O-CD2 3.25Å; I965-Y968 PolarHBondContact O-N 2.67Å; I965-Y968 VanDerWaalsContact O-N 3.16Å; I965-L983 HydrophobicContact CB-CD2 4.26Å; I965-L983 HydrophobicContact CG2-CD2 3.66Å; I965-F1016 HydrophobicContact CD1-CD1 4.19Å; I965-F1016 HydrophobicContact CD1-CE1 3.92Å; I965-L1020 HydrophobicContact CB-CD2 4.29Å; I965-L1020 HydrophobicContact CD1-CD1 4.11Å; I965-L1020 HydrophobicContact CD1-CD2 4.08Å; I965-L1020 HydrophobicContact CD1-CG 4.26Å; I965-L1020 HydrophobicContact CG1-CD2 4.25Å; I965-L1020 WeakPolarHBondContact O-CD2 3.13Å
966	Y	81.3	Confident	85.2	Confident	185 Å²	185	67.3 Å²	67.3	73%	0.725	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	128	174.2	-170.6	-94.1	0	0	0	110.9	L964 Y968	L964-Y966 VanDerWaalsContact C-N 3.3Å; L964-Y966 PolarHBondContact O-N 2.95Å; Y966-Y968 VanDerWaalsContact C-N 3.32Å
967	G	75.8	Confident	84.9	Confident	16 Å²	16	71.2 Å²	71.2	17%	0.165	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	12.3	-177.7	0	0	0	0	0	115.2	I965 H985 R986	I965-G967 PolarHBondContact O-N 3.05Å; G967-H985 PolarHBondContact O-CD2 3.15Å; G967-R986 WeakPolarHBondContact O-CB 3.43Å; G967-R986 WeakPolarHBondContact O-CD 3.34Å; G967-R986 WeakPolarHBondContact O-CG 3.36Å; G967-R986 PolarHBondContact O-N 3.17Å
968	Y	84.1	Confident	85.2	Confident	33 Å²	33	68.9 Å²	68.9	13%	0.129	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	145.7	165.3	-74.6	-110.3	0	0	0	110.7	L963 L964 I965 Y966 L983 V984 H985 I999	L963-Y968 WeakPolarHBondContact CD2-OH 3.45Å; L964-Y968 WeakPolarHBondContact O-CE2 3.19Å; I965-Y968 HydrophobicContact CB-CD2 4.29Å; I965-Y968 WeakPolarHBondContact O-CB 3.26Å; I965-Y968 WeakPolarHBondContact O-CD2 3.25Å; I965-Y968 PolarHBondContact O-N 2.67Å; I965-Y968 VanDerWaalsContact O-N 3.16Å; Y966-Y968 VanDerWaalsContact C-N 3.32Å; Y968-L983 HydrophobicContact CD1-CB 3.87Å; Y968-V984 CarbonylContact C-O 3.54Å; Y968-V984 VanDerWaalsContact CA-O 3.3Å; Y968-V984 WeakPolarHBondContact CA-O 3.38Å; Y968-H985 HydrophobicContact CD1-CB 4.01Å; Y968-H985 HydrophobicContact CD2-CB 4.32Å; Y968-H985 AromaticContact CD2-CD2 3.63Å; Y968-H985 HydrophobicContact CE1-CB 3.76Å; Y968-H985 HydrophobicContact CE2-CB 4.08Å; Y968-H985 AromaticContact CE2-CD2 3.59Å; Y968-H985 HydrophobicContact CG-CB 4.3Å; Y968-I999 HydrophobicContact CE1-CD1 3.77Å
969	F	83.6	Confident	85.6	Confident	43 Å²	43	65.3 Å²	65.3	19%	0.189	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	157	154.7	-61.8	-74.5	0	0	0	109	L983 V984 R986 E1021 D1023	F969-L983 WeakPolarHBondContact O-CA 3.29Å; F969-V984 PolarHBondContact N-O 2.64Å; F969-V984 PolarHBondContact O-N 2.6Å; F969-R986 HydrophobicContact CD2-CG 3.94Å; F969-R986 HydrophobicContact CE2-CG 3.36Å; F969-R986 HydrophobicContact CZ-CG 3.84Å; F969-E1021 VanDerWaalsContact CA-O 3.29Å; F969-E1021 WeakPolarHBondContact CA-O 3.17Å; F969-E1021 HydrophobicContact CD1-CB 3.72Å; F969-E1021 HydrophobicContact CE1-CB 3.83Å; F969-D1023 HydrophobicContact CB-CB 4Å
970	Y	88	Confident	85.7	Confident	14 Å²	14	64 Å²	64	6%	0.055	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	151.6	167.3	79.7	-74.9	0	0	0	112	E982 F1016 A1017 L1020 E1021 L1022 D1023	Y970-E982 CarbonylContact C-O 3.49Å; Y970-E982 VanDerWaalsContact CA-O 3.31Å; Y970-E982 WeakPolarHBondContact CA-O 3.34Å; Y970-F1016 HydrophobicContact CD1-CB 3.83Å; Y970-F1016 HydrophobicContact CD2-CB 3.98Å; Y970-F1016 HydrophobicContact CD2-CD2 4.28Å; Y970-F1016 HydrophobicContact CE1-CB 3.88Å; Y970-F1016 HydrophobicContact CE2-CB 4.05Å; Y970-F1016 HydrophobicContact CG-CB 3.87Å; Y970-F1016 HydrophobicContact CG-CG 4.4Å; Y970-A1017 WeakPolarHBondContact OH-CB 3.49Å; Y970-L1020 HydrophobicContact CD1-CB 3.75Å; Y970-L1020 HydrophobicContact CD1-CD1 4.27Å; Y970-L1020 HydrophobicContact CE1-CB 4.35Å; Y970-L1020 HydrophobicContact CG-CD1 4.47Å; Y970-E1021 WeakPolarHBondContact CD1-O 3.26Å; Y970-E1021 PolarHBondContact N-O 3.42Å; Y970-E1021 VanDerWaalsContact N-O 3.12Å; Y970-L1022 HydrophobicContact CD2-CD1 4.27Å; Y970-L1022 HydrophobicContact CE1-CD1 4.05Å; Y970-L1022 HydrophobicContact CE2-CD1 3.73Å; Y970-D1023 PolarHBondContact O-N 2.64Å
971	R	85.6	Confident	85.9	Confident	82 Å²	82	60.7 Å²	60.7	31%	0.309	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	147	162.3	-66.5	-172.2	-63.1	-107.5	4.6	108.7	F981 E982 D1023	R971-F981 WeakPolarHBondContact O-CA 3.38Å; R971-E982 HydrophobicContact CB-CB 4.4Å; R971-E982 IonicContact CZ-OE2 3.78Å; R971-E982 PolarHBondContact N-O 3.18Å; R971-E982 IonicContact NE-OE2 2.69Å; R971-E982 PolarHBondContact NE-OE2 3.04Å; R971-E982 IonicContact NH2-OE2 2.73Å; R971-E982 PolarHBondContact NH2-OE2 3Å; R971-E982 PolarHBondContact O-N 2.8Å; R971-D1023 WeakPolarHBondContact CD-OD2 3.49Å; R971-D1023 HydrophobicContact CG-CB 3.58Å; R971-D1023 IonicContact CZ-OD2 2.72Å; R971-D1023 IonicContact NE-OD2 2.75Å; R971-D1023 IonicContact NH1-OD2 3.8Å; R971-D1023 PolarHBondContact NH1-OD2 3.28Å
972	E	89.5	Confident	86.2	Confident	64 Å²	64	59.7 Å²	59.7	30%	0.299	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	148.1	165.5	62.8	-167.1	157.8	0	0	110.2	W979 L980 F981 S1013	E972-W979 HydrophobicContact CB-CE3 4.36Å; E972-W979 HydrophobicContact CG-CE3 4.46Å; E972-W979 HydrophobicContact CG-CZ3 4.26Å; E972-L980 CarbonylContact C-O 3.56Å; E972-L980 VanDerWaalsContact CA-O 3.3Å; E972-L980 WeakPolarHBondContact CA-O 3.46Å; E972-F981 HydrophobicContact CB-CD1 3.98Å; E972-F981 HydrophobicContact CB-CE1 3.84Å; E972-F981 WeakPolarHBondContact OE2-CE1 3.47Å; E972-S1013 WeakPolarHBondContact OE2-CB 3.29Å; E972-S1013 PolarHBondContact OE2-OG 3.21Å
973	T	88.8	Confident	86.1	Confident	60 Å²	60	55.8 Å²	55.8	37%	0.368	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	122.8	-178.3	-57.3	0	0	0	0	109.4	L980	T973-L980 PolarHBondContact N-O 3.38Å; T973-L980 PolarHBondContact O-N 2.88Å
974	P	88.1	Confident	85.9	Confident	87 Å²	87	55.9 Å²	55.9	57%	0.565	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	145.9	175.1	29.5	-34.4	0	0	0	110.9	W979	P974-W979 HydrophobicContact CB-CZ2 4.41Å
975	L	85.6	Confident	85.6	Confident	75 Å²	75	54 Å²	54	39%	0.393	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	157	176.3	-65.4	175.2	0	0	0	109.1	D977 G978 L980 R1002	L975-D977 PolarHBondContact O-N 2.93Å; L975-G978 CarbonylContact C-O 3.51Å; L975-G978 PolarHBondContact N-O 2.8Å; L975-G978 PolarHBondContact O-N 3.27Å; L975-L980 HydrophobicContact CD1-CB 3.84Å; L975-L980 HydrophobicContact CG-CB 4.38Å; L975-R1002 HydrophobicContact CD1-CG 4.42Å
976	D	79.3	Confident	84.6	Confident	186 Å²	186	59.5 Å²	59.5	100%	0.995	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-24.7	178.3	-56.8	-42.2	0	0	0	113.4
977	D	81.4	Confident	83.7	Confident	86 Å²	86	57 Å²	57	46%	0.46	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	18.4	179	82.7	-21.1	0	0	0	114.5	L975 R1002	L975-D977 PolarHBondContact O-N 2.93Å; D977-R1002 PolarHBondContact O-NH1 2.82Å; D977-R1002 VanDerWaalsContact OD1-CD 3.27Å; D977-R1002 WeakPolarHBondContact OD1-CD 3.31Å; D977-R1002 IonicContact OD1-CZ 2.7Å; D977-R1002 VanDerWaalsContact OD1-CZ 3.32Å; D977-R1002 IonicContact OD1-NE 2.6Å; D977-R1002 PolarHBondContact OD1-NE 2.79Å; D977-R1002 IonicContact OD1-NH1 3.77Å; D977-R1002 PolarHBondContact OD1-NH1 2.94Å; D977-R1002 IonicContact OD1-NH2 2.96Å; D977-R1002 IonicContact OD2-CZ 2.63Å; D977-R1002 IonicContact OD2-NE 3.63Å; D977-R1002 IonicContact OD2-NH1 2.74Å; D977-R1002 PolarHBondContact OD2-NH1 2.88Å; D977-R1002 IonicContact OD2-NH2 2.64Å; D977-R1002 PolarHBondContact OD2-NH2 2.84Å
978	G	88.6	Confident	83	Confident	9 Å²	9	58.7 Å²	58.7	9%	0.093	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	149	-149	170.2	0	0	0	0	0	115	L975 V1003	L975-G978 CarbonylContact C-O 3.51Å; L975-G978 PolarHBondContact N-O 2.8Å; L975-G978 PolarHBondContact O-N 3.27Å; G978-V1003 CarbonylContact C-O 3.54Å; G978-V1003 VanDerWaalsContact CA-O 3.24Å; G978-V1003 WeakPolarHBondContact CA-O 3.36Å
979	W	91.2	Very high	81.4	Confident	54 Å²	54	63.7 Å²	63.7	21%	0.205	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	126.2	175.7	-73.3	66.4	0	0	0	109.9	E972 P974 F981 R1002 V1003 A1009	E972-W979 HydrophobicContact CB-CE3 4.36Å; E972-W979 HydrophobicContact CG-CE3 4.46Å; E972-W979 HydrophobicContact CG-CZ3 4.26Å; P974-W979 HydrophobicContact CB-CZ2 4.41Å; W979-F981 HydrophobicContact CB-CE2 3.99Å; W979-F981 HydrophobicContact CB-CZ 4.42Å; W979-R1002 CarbonylContact O-C 3.54Å; W979-R1002 VanDerWaalsContact O-CA 3.27Å; W979-R1002 WeakPolarHBondContact O-CA 3.42Å; W979-V1003 PolarHBondContact N-O 2.89Å; W979-V1003 PolarHBondContact O-N 2.86Å; W979-A1009 HydrophobicContact CB-CB 3.6Å; W979-A1009 HydrophobicContact CD2-CB 4.2Å; W979-A1009 HydrophobicContact CG-CB 3.5Å; W979-A1009 VanDerWaalsContact CG-CB 3.5Å
980	L	91	Very high	79.7	Confident	9 Å²	9	71.2 Å²	71.2	5%	0.047	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	127.3	173.4	-176.6	67.5	0	0	0	109.5	E972 T973 L975 E982 R1002	E972-L980 CarbonylContact C-O 3.56Å; E972-L980 VanDerWaalsContact CA-O 3.3Å; E972-L980 WeakPolarHBondContact CA-O 3.46Å; T973-L980 PolarHBondContact N-O 3.38Å; T973-L980 PolarHBondContact O-N 2.88Å; L975-L980 HydrophobicContact CD1-CB 3.84Å; L975-L980 HydrophobicContact CG-CB 4.38Å; L980-E982 HydrophobicContact CD2-CG 4.16Å; L980-E982 HydrophobicContact CG-CG 4.16Å; L980-R1002 HydrophobicContact CD1-CB 4.29Å
981	F	91.6	Very high	77.8	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	131.5	167.9	-65.3	-87.7	0	0	0	108.8	R971 E972 W979 S1000 F1001 V1003 A1009 W1012 S1013 F1016	R971-F981 WeakPolarHBondContact O-CA 3.38Å; E972-F981 HydrophobicContact CB-CD1 3.98Å; E972-F981 HydrophobicContact CB-CE1 3.84Å; E972-F981 WeakPolarHBondContact OE2-CE1 3.47Å; W979-F981 HydrophobicContact CB-CE2 3.99Å; W979-F981 HydrophobicContact CB-CZ 4.42Å; F981-S1000 CarbonylContact O-C 3.52Å; F981-S1000 VanDerWaalsContact O-CA 3.26Å; F981-S1000 WeakPolarHBondContact O-CA 3.44Å; F981-F1001 HydrophobicContact CB-CD1 4.49Å; F981-F1001 HydrophobicContact CB-CE1 4.12Å; F981-F1001 HydrophobicContact CB-CE2 4.18Å; F981-F1001 HydrophobicContact CB-CZ 3.98Å; F981-F1001 AromaticContact CD2-CE2 3.99Å; F981-F1001 HydrophobicContact CD2-CE2 3.99Å; F981-F1001 HydrophobicContact CD2-CZ 4.43Å; F981-F1001 HydrophobicContact CG-CE2 4.32Å; F981-F1001 HydrophobicContact CG-CZ 4.32Å; F981-F1001 PolarHBondContact N-O 3.45Å; F981-F1001 PolarHBondContact O-N 3.12Å; F981-V1003 HydrophobicContact CD2-CG2 3.82Å; F981-V1003 HydrophobicContact CE2-CB 4.26Å; F981-V1003 HydrophobicContact CE2-CG2 3.71Å; F981-A1009 HydrophobicContact CE2-CB 4.25Å; F981-A1009 HydrophobicContact CZ-CB 4.3Å; F981-W1012 HydrophobicContact CD2-CB 4.36Å; F981-W1012 HydrophobicContact CE1-CB 4.08Å; F981-W1012 HydrophobicContact CE2-CB 3.83Å; F981-W1012 HydrophobicContact CZ-CB 3.68Å; F981-S1013 WeakPolarHBondContact CE1-OG 3.28Å; F981-S1013 WeakPolarHBondContact CZ-OG 3.43Å; F981-F1016 HydrophobicContact CB-CE2 4.29Å; F981-F1016 AromaticContact CD1-CD2 3.86Å; F981-F1016 HydrophobicContact CD1-CD2 3.86Å; F981-F1016 AromaticContact CD1-CE2 3.93Å; F981-F1016 HydrophobicContact CD1-CE2 3.93Å; F981-F1016 HydrophobicContact CE1-CD2 4.31Å; F981-F1016 HydrophobicContact CG-CE2 4.17Å
982	E	89.6	Confident	76.1	Confident	40 Å²	40	77.7 Å²	77.7	19%	0.187	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	128.2	173.8	-56.7	-164.2	131.6	0	0	109.7	Y970 R971 L980 V998	Y970-E982 CarbonylContact C-O 3.49Å; Y970-E982 VanDerWaalsContact CA-O 3.31Å; Y970-E982 WeakPolarHBondContact CA-O 3.34Å; R971-E982 HydrophobicContact CB-CB 4.4Å; R971-E982 IonicContact CZ-OE2 3.78Å; R971-E982 PolarHBondContact N-O 3.18Å; R971-E982 IonicContact NE-OE2 2.69Å; R971-E982 PolarHBondContact NE-OE2 3.04Å; R971-E982 IonicContact NH2-OE2 2.73Å; R971-E982 PolarHBondContact NH2-OE2 3Å; R971-E982 PolarHBondContact O-N 2.8Å; L980-E982 HydrophobicContact CD2-CG 4.16Å; L980-E982 HydrophobicContact CG-CG 4.16Å; E982-V998 HydrophobicContact CB-CG1 3.86Å; E982-V998 HydrophobicContact CG-CG1 4.4Å
983	L	87.3	Confident	74	Confident	0 Å²	0	82.1 Å²	82.1	0%	0	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	128.4	176.8	-72.9	78.7	0	0	0	109.9	L948 I965 Y968 F969 I999 F1001 F1016 L1020	L948-L983 HydrophobicContact CD2-CD2 4.02Å; I965-L983 HydrophobicContact CB-CD2 4.26Å; I965-L983 HydrophobicContact CG2-CD2 3.66Å; Y968-L983 HydrophobicContact CD1-CB 3.87Å; F969-L983 WeakPolarHBondContact O-CA 3.29Å; L983-I999 HydrophobicContact CB-CB 4.48Å; L983-I999 PolarHBondContact N-O 3.31Å; L983-I999 PolarHBondContact O-N 2.91Å; L983-F1001 HydrophobicContact CD1-CE1 3.93Å; L983-F1016 HydrophobicContact CD1-CE2 4.25Å; L983-F1016 HydrophobicContact CD1-CZ 4.07Å; L983-F1016 HydrophobicContact CD2-CE1 4.17Å; L983-F1016 HydrophobicContact CD2-CZ 4.27Å; L983-L1020 HydrophobicContact CD2-CD1 4.05Å; L983-L1020 HydrophobicContact CG-CD1 4.47Å
984	V	81.7	Confident	71.8	Confident	30 Å²	30	83.4 Å²	83.4	18%	0.182	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	133.2	-175.9	-170.2	0	0	0	0	109.9	Y968 F969 V998	Y968-V984 CarbonylContact C-O 3.54Å; Y968-V984 VanDerWaalsContact CA-O 3.3Å; Y968-V984 WeakPolarHBondContact CA-O 3.38Å; F969-V984 PolarHBondContact N-O 2.64Å; F969-V984 PolarHBondContact O-N 2.6Å; V984-V998 HydrophobicContact CG2-CG1 4.23Å; V984-V998 HydrophobicContact CG2-CG2 4.12Å
985	H	79.1	Confident	70	Confident	58 Å²	58	86.6 Å²	86.6	27%	0.269	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	136.6	-174.2	-174.9	-115.4	0	0	0	113.4	G967 Y968 N987 Q988	G967-H985 PolarHBondContact O-CD2 3.15Å; Y968-H985 HydrophobicContact CD1-CB 4.01Å; Y968-H985 HydrophobicContact CD2-CB 4.32Å; Y968-H985 AromaticContact CD2-CD2 3.63Å; Y968-H985 HydrophobicContact CE1-CB 3.76Å; Y968-H985 HydrophobicContact CE2-CB 4.08Å; Y968-H985 AromaticContact CE2-CD2 3.59Å; Y968-H985 HydrophobicContact CG-CB 4.3Å; H985-N987 PolarHBondContact ND1-N 3.45Å; H985-N987 PolarHBondContact O-N 3.34Å; H985-N987 VanDerWaalsContact O-N 3.1Å; H985-Q988 VanDerWaalsContact O-CB 3.27Å; H985-Q988 WeakPolarHBondContact O-CB 3.42Å; H985-Q988 PolarHBondContact O-N 2.73Å
986	R	66.3	Low	68.3	Low	119 Å²	119	86.3 Å²	86.3	45%	0.449	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-37	-178.9	-84.1	170.3	-178.7	-177.9	0.4	115.6	G967 F969 E1021	G967-R986 WeakPolarHBondContact O-CB 3.43Å; G967-R986 WeakPolarHBondContact O-CD 3.34Å; G967-R986 WeakPolarHBondContact O-CG 3.36Å; G967-R986 PolarHBondContact O-N 3.17Å; F969-R986 HydrophobicContact CD2-CG 3.94Å; F969-R986 HydrophobicContact CE2-CG 3.36Å; F969-R986 HydrophobicContact CZ-CG 3.84Å; R986-E1021 IonicContact CZ-OE1 2.73Å; R986-E1021 IonicContact CZ-OE2 2.89Å; R986-E1021 IonicContact NH2-OE1 3.67Å; R986-E1021 PolarHBondContact NH2-OE1 3.12Å; R986-E1021 IonicContact NH2-OE2 3.63Å; R986-E1021 PolarHBondContact NH2-OE2 2.97Å
987	N	62.9	Low	67.5	Low	133 Å²	133	83 Å²	83	71%	0.711	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	13.3	-175.3	-58.4	-9.1	0	0	0	113.1	H985 I989	H985-N987 PolarHBondContact ND1-N 3.45Å; H985-N987 PolarHBondContact O-N 3.34Å; H985-N987 VanDerWaalsContact O-N 3.1Å; N987-I989 PolarHBondContact O-N 2.85Å; N987-I989 VanDerWaalsContact O-N 3.16Å
988	Q	59.9	Low	67.2	Low	51 Å²	51	80.8 Å²	80.8	24%	0.238	40%	0.401	C	S	.	.			trans	-80	95.5	178.4	-167.6	154.1	37.3	0	0	110	H985 R990 D997	H985-Q988 VanDerWaalsContact O-CB 3.27Å; H985-Q988 WeakPolarHBondContact O-CB 3.42Å; H985-Q988 PolarHBondContact O-N 2.73Å; Q988-R990 PolarHBondContact O-N 2.9Å; Q988-R990 VanDerWaalsContact O-N 3.13Å; Q988-D997 VanDerWaalsContact NE2-N 3.12Å
989	I	49.9	Very low	67.1	Low	138 Å²	138	81.4 Å²	81.4	71%	0.708	40%	0.402	S	S	*	.			trans	-63.4	114.9	173.8	-55.5	177.1	0	0	0	108	N987 T991	N987-I989 PolarHBondContact O-N 2.85Å; N987-I989 VanDerWaalsContact O-N 3.16Å; I989-T991 HydrophobicContact CG2-CG2 3.83Å; I989-T991 PolarHBondContact O-N 3.34Å
990	R	49.1	Very low	67	Low	200 Å²	200	79.6 Å²	79.6	76%	0.755	40%	0.397	S	S	*	.			trans	-71.3	94.4	176	-59.6	177.9	76.9	169.7	4.4	108.6	Q988	Q988-R990 PolarHBondContact O-N 2.9Å; Q988-R990 VanDerWaalsContact O-N 3.13Å
991	T	48	Very low	67	Low	68 Å²	68	79.2 Å²	79.2	42%	0.417	40%	0.395	S	S	.	.			trans	-106.2	128.8	166.4	84.7	0	0	0	0	108	I989 D993 T994	I989-T991 HydrophobicContact CG2-CG2 3.83Å; I989-T991 PolarHBondContact O-N 3.34Å; T991-D993 PolarHBondContact O-N 3.25Å; T991-T994 PolarHBondContact O-N 2.94Å; T991-T994 PolarHBondContact O-OG1 3.4Å; T991-T994 WeakPolarHBondContact OG1-CG2 3.25Å; T991-T994 PolarHBondContact OG1-OG1 2.83Å
992	D	48.7	Very low	67.1	Low	165 Å²	165	79.9 Å²	79.9	88%	0.882	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-21	-165.4	-63.8	-60.4	0	0	0	114.2
993	D	45.8	Very low	67.2	Low	156 Å²	156	78 Å²	78	83%	0.834	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-22.3	178.3	-72.2	-55.1	0	0	0	114.4	T991 K995	T991-D993 PolarHBondContact O-N 3.25Å; D993-K995 PolarHBondContact O-N 3.26Å
994	T	43.3	Very low	67.2	Low	88 Å²	88	81 Å²	81	54%	0.54	41%	0.405	S	S	.	.	S	Bend	trans	-96.4	66.3	-177.5	61.8	0	0	0	0	111.9	T991 D996	T991-T994 PolarHBondContact O-N 2.94Å; T991-T994 PolarHBondContact O-OG1 3.4Å; T991-T994 WeakPolarHBondContact OG1-CG2 3.25Å; T991-T994 PolarHBondContact OG1-OG1 2.83Å; T994-D996 PolarHBondContact O-N 3.44Å; T994-D996 VanDerWaalsContact O-N 3.17Å
995	K	49.3	Very low	67.3	Low	153 Å²	153	83.2 Å²	83.2	67%	0.665	42%	0.416	S	S	*	.			trans	-32.2	114.9	179.9	-73	167.1	-179.1	159.3	0	113.1	R931 D993	R931-K995 PolarHBondContact NH2-O 3.36Å; D993-K995 PolarHBondContact O-N 3.26Å
996	D	51	Low	67.5	Low	69 Å²	69	81.9 Å²	81.9	37%	0.369	41%	0.413	S	S	.	.			trans	-54.7	144.4	-165	-48.1	-82.5	0	0	0	114.1	T994 V998	T994-D996 PolarHBondContact O-N 3.44Å; T994-D996 VanDerWaalsContact O-N 3.17Å; D996-V998 HydrophobicContact CB-CG2 3.77Å; D996-V998 PolarHBondContact O-N 2.98Å; D996-V998 VanDerWaalsContact O-N 3.16Å
997	D	61.1	Low	68.4	Low	117 Å²	117	79 Å²	79	63%	0.626	41%	0.414	S	S	*	.			trans	-85.4	48.3	170.8	-73.3	-42.3	0	0	0	111.4	Q988 I999	Q988-D997 VanDerWaalsContact NE2-N 3.12Å; D997-I999 PolarHBondContact O-N 3.19Å
998	V	76.1	Confident	69.4	Low	40 Å²	40	74.1 Å²	74.1	24%	0.242	39%	0.391	C	S	.	.			trans	-67.9	115.5	173.9	179.1	0	0	0	0	109.3	E982 V984 D996 S1000	E982-V998 HydrophobicContact CB-CG1 3.86Å; E982-V998 HydrophobicContact CG-CG1 4.4Å; V984-V998 HydrophobicContact CG2-CG1 4.23Å; V984-V998 HydrophobicContact CG2-CG2 4.12Å; D996-V998 HydrophobicContact CB-CG2 3.77Å; D996-V998 PolarHBondContact O-N 2.98Å; D996-V998 VanDerWaalsContact O-N 3.16Å; V998-S1000 PolarHBondContact O-N 3.05Å
999	I	85.6	Confident	70.8	Confident	22 Å²	22	71.7 Å²	71.7	11%	0.113	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	102.8	174.8	-60.9	112.4	0	0	0	107.9	L928 F950 L963 Y968 L983 D997	L928-I999 HydrophobicContact CD1-CG2 4.43Å; F950-I999 HydrophobicContact CE2-CG2 4.45Å; F950-I999 HydrophobicContact CZ-CG2 4.22Å; L963-I999 HydrophobicContact CD1-CB 4.48Å; L963-I999 HydrophobicContact CD1-CD1 3.52Å; L963-I999 HydrophobicContact CD1-CG1 3.53Å; L963-I999 HydrophobicContact CD1-CG2 4.34Å; L963-I999 HydrophobicContact CD2-CD1 3.79Å; L963-I999 HydrophobicContact CG-CD1 4.29Å; Y968-I999 HydrophobicContact CE1-CD1 3.77Å; L983-I999 HydrophobicContact CB-CB 4.48Å; L983-I999 PolarHBondContact N-O 3.31Å; L983-I999 PolarHBondContact O-N 2.91Å; D997-I999 PolarHBondContact O-N 3.19Å
1000	S	89.1	Confident	72.6	Confident	16 Å²	16	69.2 Å²	69.2	11%	0.112	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	131.8	177.8	52.2	0	0	0	0	111.4	R929 F981 V998	R929-S1000 WeakPolarHBondContact CB-O 3.22Å; R929-S1000 PolarHBondContact N-O 3.29Å; F981-S1000 CarbonylContact O-C 3.52Å; F981-S1000 VanDerWaalsContact O-CA 3.26Å; F981-S1000 WeakPolarHBondContact O-CA 3.44Å; V998-S1000 PolarHBondContact O-N 3.05Å
1001	F	92.4	Very high	74.5	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	145.1	172.6	69.8	-93.5	0	0	0	111.5	V926 Y927 L928 L948 F950 F981 L983 V1003 W1012 F1016	V926-F1001 HydrophobicContact CB-CD2 3.79Å; V926-F1001 HydrophobicContact CB-CE2 4.44Å; V926-F1001 HydrophobicContact CB-CG 4.48Å; V926-F1001 HydrophobicContact CG1-CD2 3.77Å; V926-F1001 HydrophobicContact CG1-CE2 3.91Å; V926-F1001 HydrophobicContact CG2-CD2 4.29Å; Y927-F1001 CarbonylContact O-C 3.44Å; Y927-F1001 VanDerWaalsContact O-CA 3.27Å; Y927-F1001 WeakPolarHBondContact O-CA 3.23Å; L928-F1001 HydrophobicContact CD1-CB 4.27Å; L948-F1001 HydrophobicContact CD2-CE1 4.06Å; F950-F1001 HydrophobicContact CE1-CB 4.45Å; F950-F1001 HydrophobicContact CE1-CD1 4.22Å; F950-F1001 HydrophobicContact CE1-CG 4.35Å; F950-F1001 HydrophobicContact CZ-CD1 4.05Å; F950-F1001 HydrophobicContact CZ-CE1 4.47Å; F981-F1001 HydrophobicContact CB-CD1 4.49Å; F981-F1001 HydrophobicContact CB-CE1 4.12Å; F981-F1001 HydrophobicContact CB-CE2 4.18Å; F981-F1001 HydrophobicContact CB-CZ 3.98Å; F981-F1001 AromaticContact CD2-CE2 3.99Å; F981-F1001 HydrophobicContact CD2-CE2 3.99Å; F981-F1001 HydrophobicContact CD2-CZ 4.43Å; F981-F1001 HydrophobicContact CG-CE2 4.32Å; F981-F1001 HydrophobicContact CG-CZ 4.32Å; F981-F1001 PolarHBondContact N-O 3.45Å; F981-F1001 PolarHBondContact O-N 3.12Å; L983-F1001 HydrophobicContact CD1-CE1 3.93Å; F1001-V1003 HydrophobicContact CD2-CG2 4.08Å; F1001-V1003 HydrophobicContact CE2-CG2 3.89Å; F1001-W1012 HydrophobicContact CE2-CD2 4Å; F1001-W1012 HydrophobicContact CE2-CE3 4.19Å; F1001-W1012 HydrophobicContact CE2-CG 4.35Å; F1001-W1012 HydrophobicContact CZ-CD2 4.04Å; F1001-W1012 AromaticContact CZ-CE3 3.75Å; F1001-W1012 HydrophobicContact CZ-CE3 3.75Å; F1001-W1012 HydrophobicContact CZ-CZ3 4.03Å; F1001-F1016 HydrophobicContact CE1-CE2 4.25Å; F1001-F1016 HydrophobicContact CE1-CZ 4.02Å; F1001-F1016 AromaticContact CZ-CE2 3.77Å; F1001-F1016 HydrophobicContact CZ-CE2 3.77Å; F1001-F1016 AromaticContact CZ-CZ 3.76Å; F1001-F1016 HydrophobicContact CZ-CZ 3.76Å
1002	R	93	Very high	76.6	Confident	15 Å²	15	62.9 Å²	62.9	6%	0.057	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	150	-178.9	-175.4	176	59.9	92.2	-18.5	111.8	V926 Y927 E934 L975 D977 W979 L980	V926-R1002 WeakPolarHBondContact CA-O 3.38Å; Y927-R1002 PolarHBondContact N-O 2.71Å; Y927-R1002 PolarHBondContact O-N 3.03Å; E934-R1002 IonicContact OE1-CZ 2.77Å; E934-R1002 IonicContact OE1-NE 2.73Å; E934-R1002 PolarHBondContact OE1-NE 2.95Å; E934-R1002 IonicContact OE1-NH2 3.13Å; E934-R1002 IonicContact OE2-CZ 3.24Å; E934-R1002 IonicContact OE2-NE 2.68Å; E934-R1002 PolarHBondContact OE2-NE 3.16Å; E934-R1002 IonicContact OE2-NH2 2.34Å; E934-R1002 PolarHBondContact OE2-NH2 3.05Å; L975-R1002 HydrophobicContact CD1-CG 4.42Å; D977-R1002 PolarHBondContact O-NH1 2.82Å; D977-R1002 VanDerWaalsContact OD1-CD 3.27Å; D977-R1002 WeakPolarHBondContact OD1-CD 3.31Å; D977-R1002 IonicContact OD1-CZ 2.7Å; D977-R1002 VanDerWaalsContact OD1-CZ 3.32Å; D977-R1002 IonicContact OD1-NE 2.6Å; D977-R1002 PolarHBondContact OD1-NE 2.79Å; D977-R1002 IonicContact OD1-NH1 3.77Å; D977-R1002 PolarHBondContact OD1-NH1 2.94Å; D977-R1002 IonicContact OD1-NH2 2.96Å; D977-R1002 IonicContact OD2-CZ 2.63Å; D977-R1002 IonicContact OD2-NE 3.63Å; D977-R1002 IonicContact OD2-NH1 2.74Å; D977-R1002 PolarHBondContact OD2-NH1 2.88Å; D977-R1002 IonicContact OD2-NH2 2.64Å; D977-R1002 PolarHBondContact OD2-NH2 2.84Å; W979-R1002 CarbonylContact O-C 3.54Å; W979-R1002 VanDerWaalsContact O-CA 3.27Å; W979-R1002 WeakPolarHBondContact O-CA 3.42Å; L980-R1002 HydrophobicContact CD1-CB 4.29Å
1003	V	92.8	Very high	78.5	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	119.5	178.8	-174.4	0	0	0	0	108.4	V926 G978 W979 F981 F1001 S1008 A1009 W1012	V926-V1003 HydrophobicContact CG1-CG2 4.2Å; G978-V1003 CarbonylContact C-O 3.54Å; G978-V1003 VanDerWaalsContact CA-O 3.24Å; G978-V1003 WeakPolarHBondContact CA-O 3.36Å; W979-V1003 PolarHBondContact N-O 2.89Å; W979-V1003 PolarHBondContact O-N 2.86Å; F981-V1003 HydrophobicContact CD2-CG2 3.82Å; F981-V1003 HydrophobicContact CE2-CB 4.26Å; F981-V1003 HydrophobicContact CE2-CG2 3.71Å; F1001-V1003 HydrophobicContact CD2-CG2 4.08Å; F1001-V1003 HydrophobicContact CE2-CG2 3.89Å; V1003-S1008 VanDerWaalsContact CG1-CB 3.48Å; V1003-A1009 HydrophobicContact CB-CB 4.38Å; V1003-A1009 HydrophobicContact CG1-CB 4.33Å; V1003-W1012 HydrophobicContact CG2-CG 4.28Å
1004	D	85.8	Confident	80.6	Confident	63 Å²	63	51.3 Å²	51.3	34%	0.337	28%	0.284	S	S	.	.	S	Bend	trans	-75.8	-30.6	-172.8	52	4.3	0	0	0	114.2	R925 Y927	R925-D1004 IonicContact CZ-OD2 2.74Å; R925-D1004 IonicContact NH1-OD2 3.17Å; R925-D1004 PolarHBondContact NH1-OD2 2.99Å; Y927-D1004 HydrophobicContact CE2-CB 3.69Å; Y927-D1004 VanDerWaalsContact CE2-OD2 3.27Å; Y927-D1004 WeakPolarHBondContact CE2-OD2 3.41Å; Y927-D1004 PolarHBondContact OH-OD2 2.79Å
1005	N	84.1	Confident	82.7	Confident	76 Å²	76	47.4 Å²	47.4	41%	0.406	26%	0.261	S	S	.	.			trans	-96.8	121	-179	172.6	34.2	0	0	0	111.8	A1007 S1008 A1009	N1005-A1007 VanDerWaalsContact C-N 3.29Å; N1005-A1007 PolarHBondContact O-N 2.98Å; N1005-A1007 PolarHBondContact OD1-N 2.94Å; N1005-S1008 PolarHBondContact ND2-N 2.83Å; N1005-S1008 VanDerWaalsContact ND2-N 3.15Å; N1005-S1008 PolarHBondContact ND2-OG 2.78Å; N1005-S1008 CarbonylContact O-C 3.56Å; N1005-S1008 WeakPolarHBondContact O-CA 3.2Å; N1005-S1008 WeakPolarHBondContact O-CB 3.43Å; N1005-S1008 PolarHBondContact O-N 2.91Å; N1005-A1009 PolarHBondContact O-N 3.47Å
1006	S	83.4	Confident	84.6	Confident	30 Å²	30	40.1 Å²	40.1	21%	0.21	23%	0.229	C	C	.	.	H	α-helix	trans	-49.5	-45.7	172.4	171	0	0	0	0	112.5	T353 S1008 A1009 K1010	T353-S1006 PolarHBondContact OG1-OG 3.39Å; S1006-S1008 PolarHBondContact O-N 2.83Å; S1006-S1008 VanDerWaalsContact O-N 3.14Å; S1006-A1009 WeakPolarHBondContact O-CB 3.44Å; S1006-A1009 PolarHBondContact O-N 2.81Å; S1006-K1010 PolarHBondContact O-N 3.29Å
1007	A	84.4	Confident	86.2	Confident	58 Å²	58	39.9 Å²	39.9	48%	0.479	24%	0.236	S	C	.	.	H	α-helix	trans	-72.6	-5.3	178.3	0	0	0	0	0	114.6	N1005 K1011	N1005-A1007 VanDerWaalsContact C-N 3.29Å; N1005-A1007 PolarHBondContact O-N 2.98Å; N1005-A1007 PolarHBondContact OD1-N 2.94Å; A1007-K1011 WeakPolarHBondContact O-CD 3.06Å; A1007-K1011 VanDerWaalsContact O-CE 3.26Å; A1007-K1011 WeakPolarHBondContact O-CE 3.35Å
1008	S	84.8	Confident	87.2	Confident	32 Å²	32	39 Å²	39	22%	0.224	23%	0.232	C	C	.	.	H	α-helix	trans	-96	-40.1	164.3	-64.9	0	0	0	0	110.7	V1003 N1005 S1006 K1010 K1011 W1012	V1003-S1008 VanDerWaalsContact CG1-CB 3.48Å; N1005-S1008 PolarHBondContact ND2-N 2.83Å; N1005-S1008 VanDerWaalsContact ND2-N 3.15Å; N1005-S1008 PolarHBondContact ND2-OG 2.78Å; N1005-S1008 CarbonylContact O-C 3.56Å; N1005-S1008 WeakPolarHBondContact O-CA 3.2Å; N1005-S1008 WeakPolarHBondContact O-CB 3.43Å; N1005-S1008 PolarHBondContact O-N 2.91Å; S1006-S1008 PolarHBondContact O-N 2.83Å; S1006-S1008 VanDerWaalsContact O-N 3.14Å; S1008-K1010 PolarHBondContact O-N 3.08Å; S1008-K1011 WeakPolarHBondContact O-CB 3.11Å; S1008-K1011 PolarHBondContact O-N 2.88Å; S1008-K1011 VanDerWaalsContact O-N 3.09Å; S1008-W1012 VanDerWaalsContact O-CD1 3.31Å; S1008-W1012 PolarHBondContact O-N 2.98Å
1009	A	88.1	Confident	87.3	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-55.7	-52	177.6	0	0	0	0	0	111	W979 F981 V1003 N1005 S1006 K1011 W1012 S1013	W979-A1009 HydrophobicContact CB-CB 3.6Å; W979-A1009 HydrophobicContact CD2-CB 4.2Å; W979-A1009 HydrophobicContact CG-CB 3.5Å; W979-A1009 VanDerWaalsContact CG-CB 3.5Å; F981-A1009 HydrophobicContact CE2-CB 4.25Å; F981-A1009 HydrophobicContact CZ-CB 4.3Å; V1003-A1009 HydrophobicContact CB-CB 4.38Å; V1003-A1009 HydrophobicContact CG1-CB 4.33Å; N1005-A1009 PolarHBondContact O-N 3.47Å; S1006-A1009 WeakPolarHBondContact O-CB 3.44Å; S1006-A1009 PolarHBondContact O-N 2.81Å; A1009-K1011 PolarHBondContact O-N 3.46Å; A1009-W1012 CarbonylContact O-C 3.54Å; A1009-W1012 WeakPolarHBondContact O-CA 3.27Å; A1009-W1012 WeakPolarHBondContact O-CB 3.3Å; A1009-W1012 PolarHBondContact O-N 3.12Å; A1009-S1013 PolarHBondContact O-N 3.25Å; A1009-S1013 PolarHBondContact O-OG 2.88Å; A1009-S1013 VanDerWaalsContact O-OG 3.1Å
1010	K	89.1	Confident	87.1	Confident	85 Å²	85	41.3 Å²	41.3	37%	0.37	24%	0.238	S	C	.	.	H	α-helix	trans	-56.9	-23.3	177.4	-62.5	-163.4	178.4	-158	0	114.5	D351 S352 S1006 S1008 A1014	D351-K1010 VanDerWaalsContact C-NZ 3.26Å; D351-K1010 PolarHBondContact O-NZ 2.72Å; S352-K1010 WeakPolarHBondContact O-CE 3.43Å; S352-K1010 PolarHBondContact O-NZ 3.29Å; S1006-K1010 PolarHBondContact O-N 3.29Å; S1008-K1010 PolarHBondContact O-N 3.08Å; K1010-A1014 VanDerWaalsContact O-CB 3.25Å; K1010-A1014 WeakPolarHBondContact O-CB 3.43Å; K1010-A1014 PolarHBondContact O-N 3.08Å
1011	K	89.1	Confident	86.4	Confident	135 Å²	135	45.9 Å²	45.9	59%	0.587	26%	0.258	S	S	*	.	H	α-helix	trans	-81	-31.4	173.7	-61.5	176.2	-177	173	0	112.7	V922 A1007 S1008 A1009 A1015	V922-K1011 HydrophobicContact CG2-CB 4.09Å; A1007-K1011 WeakPolarHBondContact O-CD 3.06Å; A1007-K1011 VanDerWaalsContact O-CE 3.26Å; A1007-K1011 WeakPolarHBondContact O-CE 3.35Å; S1008-K1011 WeakPolarHBondContact O-CB 3.11Å; S1008-K1011 PolarHBondContact O-N 2.88Å; S1008-K1011 VanDerWaalsContact O-N 3.09Å; A1009-K1011 PolarHBondContact O-N 3.46Å; K1011-A1015 WeakPolarHBondContact O-CB 3.44Å; K1011-A1015 PolarHBondContact O-N 2.98Å; K1011-A1015 VanDerWaalsContact O-N 3.11Å
1012	W	91.5	Very high	85.3	Confident	1 Å²	1	50.8 Å²	50.8	0%	0.004	28%	0.284	C	S	.	.	H	α-helix	trans	-71.4	-46.9	169.6	-74.9	103.2	0	0	0	110.6	V922 V926 A939 L948 F981 F1001 V1003 S1008 A1009 A1014 A1015 F1016	V922-W1012 HydrophobicContact CG1-CD2 3.91Å; V922-W1012 HydrophobicContact CG1-CE3 3.48Å; V922-W1012 VanDerWaalsContact CG1-CE3 3.48Å; V922-W1012 HydrophobicContact CG1-CH2 3.93Å; V922-W1012 HydrophobicContact CG1-CZ2 4.32Å; V922-W1012 HydrophobicContact CG1-CZ3 3.49Å; V922-W1012 VanDerWaalsContact CG1-CZ3 3.49Å; V922-W1012 HydrophobicContact CG2-CD2 3.86Å; V922-W1012 HydrophobicContact CG2-CE3 4.31Å; V922-W1012 HydrophobicContact CG2-CG 4.13Å; V922-W1012 HydrophobicContact CG2-CZ2 4.2Å; V926-W1012 HydrophobicContact CG1-CZ2 3.96Å; A939-W1012 HydrophobicContact CB-CH2 3.59Å; A939-W1012 HydrophobicContact CB-CZ2 3.73Å; L948-W1012 HydrophobicContact CD1-CH2 3.86Å; L948-W1012 HydrophobicContact CD1-CZ3 3.57Å; F981-W1012 HydrophobicContact CD2-CB 4.36Å; F981-W1012 HydrophobicContact CE1-CB 4.08Å; F981-W1012 HydrophobicContact CE2-CB 3.83Å; F981-W1012 HydrophobicContact CZ-CB 3.68Å; F1001-W1012 HydrophobicContact CE2-CD2 4Å; F1001-W1012 HydrophobicContact CE2-CE3 4.19Å; F1001-W1012 HydrophobicContact CE2-CG 4.35Å; F1001-W1012 HydrophobicContact CZ-CD2 4.04Å; F1001-W1012 AromaticContact CZ-CE3 3.75Å; F1001-W1012 HydrophobicContact CZ-CE3 3.75Å; F1001-W1012 HydrophobicContact CZ-CZ3 4.03Å; V1003-W1012 HydrophobicContact CG2-CG 4.28Å; S1008-W1012 VanDerWaalsContact O-CD1 3.31Å; S1008-W1012 PolarHBondContact O-N 2.98Å; A1009-W1012 CarbonylContact O-C 3.54Å; A1009-W1012 WeakPolarHBondContact O-CA 3.27Å; A1009-W1012 WeakPolarHBondContact O-CB 3.3Å; A1009-W1012 PolarHBondContact O-N 3.12Å; W1012-A1014 PolarHBondContact O-N 3Å; W1012-A1015 PolarHBondContact O-N 3.02Å; W1012-F1016 HydrophobicContact CB-CE2 4.35Å; W1012-F1016 HydrophobicContact CE3-CE1 4.35Å; W1012-F1016 AromaticContact CE3-CE2 3.85Å; W1012-F1016 HydrophobicContact CE3-CE2 3.85Å; W1012-F1016 AromaticContact CE3-CZ 3.64Å; W1012-F1016 HydrophobicContact CE3-CZ 3.64Å; W1012-F1016 AromaticContact CZ3-CZ 4Å; W1012-F1016 HydrophobicContact CZ3-CZ 4Å; W1012-F1016 VanDerWaalsContact O-CD2 3.27Å; W1012-F1016 WeakPolarHBondContact O-CD2 3.39Å; W1012-F1016 WeakPolarHBondContact O-CG 3.5Å; W1012-F1016 PolarHBondContact O-N 2.78Å
1013	S	89.8	Confident	84.1	Confident	18 Å²	18	51 Å²	51	13%	0.126	29%	0.286	C	S	.	.	H	α-helix	trans	-52.9	-53.9	173.1	-46.2	0	0	0	0	111.5	E972 F981 A1009 A1015 F1016 A1017	E972-S1013 WeakPolarHBondContact OE2-CB 3.29Å; E972-S1013 PolarHBondContact OE2-OG 3.21Å; F981-S1013 WeakPolarHBondContact CE1-OG 3.28Å; F981-S1013 WeakPolarHBondContact CZ-OG 3.43Å; A1009-S1013 PolarHBondContact O-N 3.25Å; A1009-S1013 PolarHBondContact O-OG 2.88Å; A1009-S1013 VanDerWaalsContact O-OG 3.1Å; S1013-A1015 PolarHBondContact O-N 3.24Å; S1013-F1016 PolarHBondContact O-N 2.89Å; S1013-A1017 WeakPolarHBondContact O-CB 3.17Å; S1013-A1017 PolarHBondContact O-N 2.66Å
1014	A	88.6	Confident	82.3	Confident	60 Å²	60	55.9 Å²	55.9	50%	0.496	32%	0.317	S	S	.	.	H	α-helix	trans	-63.8	-37.1	178.9	0	0	0	0	0	113.5	K1010 W1012 F1016 D1018	K1010-A1014 VanDerWaalsContact O-CB 3.25Å; K1010-A1014 WeakPolarHBondContact O-CB 3.43Å; K1010-A1014 PolarHBondContact O-N 3.08Å; W1012-A1014 PolarHBondContact O-N 3Å; A1014-F1016 VanDerWaalsContact C-N 3.33Å; A1014-D1018 VanDerWaalsContact O-CB 3.31Å; A1014-D1018 WeakPolarHBondContact O-CB 3.42Å; A1014-D1018 PolarHBondContact O-N 3.36Å
1015	A	87.3	Confident	80.8	Confident	6 Å²	6	57.1 Å²	57.1	5%	0.05	33%	0.327	C	S	.	.	H	α-helix	trans	-72.8	-24.5	177.8	0	0	0	0	0	113.5	I921 V922 L941 K1011 W1012 S1013	I921-A1015 HydrophobicContact CG2-CB 3.77Å; V922-A1015 HydrophobicContact CB-CB 3.91Å; V922-A1015 HydrophobicContact CG1-CB 3.52Å; L941-A1015 HydrophobicContact CD2-CB 4.49Å; K1011-A1015 WeakPolarHBondContact O-CB 3.44Å; K1011-A1015 PolarHBondContact O-N 2.98Å; K1011-A1015 VanDerWaalsContact O-N 3.11Å; W1012-A1015 PolarHBondContact O-N 3.02Å; S1013-A1015 PolarHBondContact O-N 3.24Å
1016	F	89.3	Confident	78.8	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-84.5	-45.2	171.1	-66.8	-42	0	0	0	111.8	L941 I965 Y970 F981 L983 F1001 W1012 S1013 A1014 D1018 K1019 L1020	L941-F1016 HydrophobicContact CD2-CD1 4.47Å; L941-F1016 HydrophobicContact CD2-CE1 4.45Å; I965-F1016 HydrophobicContact CD1-CD1 4.19Å; I965-F1016 HydrophobicContact CD1-CE1 3.92Å; Y970-F1016 HydrophobicContact CD1-CB 3.83Å; Y970-F1016 HydrophobicContact CD2-CB 3.98Å; Y970-F1016 HydrophobicContact CD2-CD2 4.28Å; Y970-F1016 HydrophobicContact CE1-CB 3.88Å; Y970-F1016 HydrophobicContact CE2-CB 4.05Å; Y970-F1016 HydrophobicContact CG-CB 3.87Å; Y970-F1016 HydrophobicContact CG-CG 4.4Å; F981-F1016 HydrophobicContact CB-CE2 4.29Å; F981-F1016 AromaticContact CD1-CD2 3.86Å; F981-F1016 HydrophobicContact CD1-CD2 3.86Å; F981-F1016 AromaticContact CD1-CE2 3.93Å; F981-F1016 HydrophobicContact CD1-CE2 3.93Å; F981-F1016 HydrophobicContact CE1-CD2 4.31Å; F981-F1016 HydrophobicContact CG-CE2 4.17Å; L983-F1016 HydrophobicContact CD1-CE2 4.25Å; L983-F1016 HydrophobicContact CD1-CZ 4.07Å; L983-F1016 HydrophobicContact CD2-CE1 4.17Å; L983-F1016 HydrophobicContact CD2-CZ 4.27Å; F1001-F1016 HydrophobicContact CE1-CE2 4.25Å; F1001-F1016 HydrophobicContact CE1-CZ 4.02Å; F1001-F1016 AromaticContact CZ-CE2 3.77Å; F1001-F1016 HydrophobicContact CZ-CE2 3.77Å; F1001-F1016 AromaticContact CZ-CZ 3.76Å; F1001-F1016 HydrophobicContact CZ-CZ 3.76Å; W1012-F1016 HydrophobicContact CB-CE2 4.35Å; W1012-F1016 HydrophobicContact CE3-CE1 4.35Å; W1012-F1016 AromaticContact CE3-CE2 3.85Å; W1012-F1016 HydrophobicContact CE3-CE2 3.85Å; W1012-F1016 AromaticContact CE3-CZ 3.64Å; W1012-F1016 HydrophobicContact CE3-CZ 3.64Å; W1012-F1016 AromaticContact CZ3-CZ 4Å; W1012-F1016 HydrophobicContact CZ3-CZ 4Å; W1012-F1016 VanDerWaalsContact O-CD2 3.27Å; W1012-F1016 WeakPolarHBondContact O-CD2 3.39Å; W1012-F1016 WeakPolarHBondContact O-CG 3.5Å; W1012-F1016 PolarHBondContact O-N 2.78Å; S1013-F1016 PolarHBondContact O-N 2.89Å; A1014-F1016 VanDerWaalsContact C-N 3.33Å; F1016-D1018 PolarHBondContact O-N 3.05Å; F1016-D1018 VanDerWaalsContact O-N 3.16Å; F1016-K1019 CarbonylContact O-C 3.54Å; F1016-K1019 PolarHBondContact O-N 3.27Å; F1016-L1020 HydrophobicContact CB-CD1 4.26Å; F1016-L1020 HydrophobicContact CD1-CD1 3.66Å; F1016-L1020 HydrophobicContact CD1-CG 4.31Å; F1016-L1020 HydrophobicContact CE1-CD1 4.29Å; F1016-L1020 HydrophobicContact CG-CD1 4.14Å; F1016-L1020 WeakPolarHBondContact O-CA 3.34Å; F1016-L1020 PolarHBondContact O-N 3.45Å
1017	A	85.4	Confident	76.4	Confident	64 Å²	64	70.7 Å²	70.7	53%	0.529	42%	0.415	S	S	.	.	H	α-helix	trans	-56.6	-32.4	177	0	0	0	0	0	113.6	Y970 S1013 K1019	Y970-A1017 WeakPolarHBondContact OH-CB 3.49Å; S1013-A1017 WeakPolarHBondContact O-CB 3.17Å; S1013-A1017 PolarHBondContact O-N 2.66Å; A1017-K1019 VanDerWaalsContact C-N 3.32Å; A1017-K1019 PolarHBondContact O-N 2.92Å
1018	D	81.3	Confident	76	Confident	99 Å²	99	71.3 Å²	71.3	53%	0.529	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-14.7	175.8	174.5	49.5	0	0	0	113.5	A1014 F1016	A1014-D1018 VanDerWaalsContact O-CB 3.31Å; A1014-D1018 WeakPolarHBondContact O-CB 3.42Å; A1014-D1018 PolarHBondContact O-N 3.36Å; F1016-D1018 PolarHBondContact O-N 3.05Å; F1016-D1018 VanDerWaalsContact O-N 3.16Å
1019	K	78	Confident	75.6	Confident	91 Å²	91	73.4 Å²	73.4	40%	0.396	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.5	-11.7	-167.4	-65.4	-66.3	163.4	-79.5	0	117	I921 L946 F1016 A1017	I921-K1019 HydrophobicContact CD1-CG 4.38Å; L946-K1019 HydrophobicContact CD1-CD 4.17Å; L946-K1019 HydrophobicContact CD2-CB 4.39Å; L946-K1019 HydrophobicContact CD2-CD 3.96Å; L946-K1019 HydrophobicContact CD2-CG 4.02Å; F1016-K1019 CarbonylContact O-C 3.54Å; F1016-K1019 PolarHBondContact O-N 3.27Å; A1017-K1019 VanDerWaalsContact C-N 3.32Å; A1017-K1019 PolarHBondContact O-N 2.92Å
1020	L	81.2	Confident	74.9	Confident	18 Å²	18	77.4 Å²	77.4	9%	0.094	45%	0.445	C	S	.	.	S	Bend	trans	-132.8	151.9	177.4	-58.5	-176.4	0	0	0	108.6	I965 Y970 L983 F1016	I965-L1020 HydrophobicContact CB-CD2 4.29Å; I965-L1020 HydrophobicContact CD1-CD1 4.11Å; I965-L1020 HydrophobicContact CD1-CD2 4.08Å; I965-L1020 HydrophobicContact CD1-CG 4.26Å; I965-L1020 HydrophobicContact CG1-CD2 4.25Å; I965-L1020 WeakPolarHBondContact O-CD2 3.13Å; Y970-L1020 HydrophobicContact CD1-CB 3.75Å; Y970-L1020 HydrophobicContact CD1-CD1 4.27Å; Y970-L1020 HydrophobicContact CE1-CB 4.35Å; Y970-L1020 HydrophobicContact CG-CD1 4.47Å; L983-L1020 HydrophobicContact CD2-CD1 4.05Å; L983-L1020 HydrophobicContact CG-CD1 4.47Å; F1016-L1020 HydrophobicContact CB-CD1 4.26Å; F1016-L1020 HydrophobicContact CD1-CD1 3.66Å; F1016-L1020 HydrophobicContact CD1-CG 4.31Å; F1016-L1020 HydrophobicContact CE1-CD1 4.29Å; F1016-L1020 HydrophobicContact CG-CD1 4.14Å; F1016-L1020 WeakPolarHBondContact O-CA 3.34Å; F1016-L1020 PolarHBondContact O-N 3.45Å
1021	E	74	Confident	74.1	Confident	112 Å²	112	77 Å²	77	52%	0.523	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	147.8	167.9	-75.3	161.5	-131.2	0	0	110.3	F969 Y970 R986	F969-E1021 VanDerWaalsContact CA-O 3.29Å; F969-E1021 WeakPolarHBondContact CA-O 3.17Å; F969-E1021 HydrophobicContact CD1-CB 3.72Å; F969-E1021 HydrophobicContact CE1-CB 3.83Å; Y970-E1021 WeakPolarHBondContact CD1-O 3.26Å; Y970-E1021 PolarHBondContact N-O 3.42Å; Y970-E1021 VanDerWaalsContact N-O 3.12Å; R986-E1021 IonicContact CZ-OE1 2.73Å; R986-E1021 IonicContact CZ-OE2 2.89Å; R986-E1021 IonicContact NH2-OE1 3.67Å; R986-E1021 PolarHBondContact NH2-OE1 3.12Å; R986-E1021 IonicContact NH2-OE2 3.63Å; R986-E1021 PolarHBondContact NH2-OE2 2.97Å
1022	L	71.1	Confident	73.1	Confident	104 Å²	104	73.4 Å²	73.4	55%	0.545	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	141.5	168.6	-160.8	77	0	0	0	109.1	Y970 P1024	Y970-L1022 HydrophobicContact CD2-CD1 4.27Å; Y970-L1022 HydrophobicContact CE1-CD1 4.05Å; Y970-L1022 HydrophobicContact CE2-CD1 3.73Å; L1022-P1024 VanDerWaalsContact O-CD 3.29Å; L1022-P1024 WeakPolarHBondContact O-CD 3.41Å
1023	D	67.7	Low	71.9	Confident	20 Å²	20	78.2 Å²	78.2	11%	0.107	47%	0.471	C	S	.	.			trans	-64.8	115.7	175	179.8	-3.7	0	0	0	110.6	F969 Y970 R971 T1025	F969-D1023 HydrophobicContact CB-CB 4Å; Y970-D1023 PolarHBondContact O-N 2.64Å; R971-D1023 WeakPolarHBondContact CD-OD2 3.49Å; R971-D1023 HydrophobicContact CG-CB 3.58Å; R971-D1023 IonicContact CZ-OD2 2.72Å; R971-D1023 IonicContact NE-OD2 2.75Å; R971-D1023 IonicContact NH1-OD2 3.8Å; R971-D1023 PolarHBondContact NH1-OD2 3.28Å; D1023-T1025 PolarHBondContact O-N 3.25Å; D1023-T1025 WeakPolarHBondContact OD1-CB 3.11Å; D1023-T1025 PolarHBondContact OD1-N 2.68Å; D1023-T1025 PolarHBondContact OD1-OG1 2.62Å; D1023-T1025 PolarHBondContact OD2-OG1 2.8Å
1024	P	53.5	Low	70.6	Confident	101 Å²	101	82.5 Å²	82.5	66%	0.656	50%	0.495	S	S	*	.			trans	-77.7	-0.8	-177.3	33.3	-36.3	0	0	0	113.4	L1022 R1026	L1022-P1024 VanDerWaalsContact O-CD 3.29Å; L1022-P1024 WeakPolarHBondContact O-CD 3.41Å; P1024-R1026 VanDerWaalsContact C-N 3.31Å; P1024-R1026 PolarHBondContact O-N 3.12Å
1025	T	54.2	Low	69.2	Low	89 Å²	89	84.2 Å²	84.2	55%	0.546	50%	0.495	S	S	.	.	S	Bend	trans	-89.7	32.1	-166.7	67.1	0	0	0	0	115.9	D1023	D1023-T1025 PolarHBondContact O-N 3.25Å; D1023-T1025 WeakPolarHBondContact OD1-CB 3.11Å; D1023-T1025 PolarHBondContact OD1-N 2.68Å; D1023-T1025 PolarHBondContact OD1-OG1 2.62Å; D1023-T1025 PolarHBondContact OD2-OG1 2.8Å
1026	R	43.9	Very low	67.7	Low	240 Å²	240	90.8 Å²	90.8	91%	0.906	53%	0.532	S	S	*	.			trans	-174.2	121.2	151	-103.5	152.7	-172.9	-160	0.1	112	P1024	P1024-R1026 VanDerWaalsContact C-N 3.31Å; P1024-R1026 PolarHBondContact O-N 3.12Å
1027	G	33.1	Very low	65.8	Low	151 Å²	151	99 Å²	99	100%	1.557	58%	0.581	S	S	*	*			trans	-102.1	0	148	0	0	0	0	0	109.8

Retrieved 1,027 of 1,027 residues in 231.2 ms (Link to these results)

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