A0A5K4F357_SCHMA Loading...

Solute carrier family 12 member 6

AlphaFold DB , UniProt , Accession A0A5K4F357, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,168 aa.

						>A0A5K4F357_SCHMA|A0A5K4F357
MSVRRISKKFSVQSVEASELKGAKLSLLGESTEAYAGIPTEVVDEDIEAEDEDNTQLNLFEEDDKTLPPMSNWFGKLAAYTGGIEPTVGETKQLKEKQTKSSDNKRLGTILGVFLPCCQNIFGILLFVRVGWITGVAGAFQTFLIVLLCCSCTMLTALSMSAIATNGKVPAGGSYFMISRSIGPAFGGAVGILFYLGTTIASAMYLVGAVEVFLKYIFPQASLFGDITSDAALFNNTRVYGTILLFTVMCCVFMGIRFVSRFAAVSLAAVLISILCVYLGVFTVNPSRSPYVCALGGRLLSQDFITVNGTAQCHKNTTGPIYEAYCNNPEIATEESCAFFNANNISYFPAMPGLTSQKFFENFFESHYREKGKAYDNVDFPADRKYGQGPNIADVTSSFMLLLGIYFPSVTGIMAGSNRSGDLTNPQKSIPMGTILAITMTSLVYLSSPLLFAAICDGSVMRDKFGESYGGILLVAAFAWPHFWVILIGSCLSTIGAGLQSLTGAPRLLQAIAQDNVMPFLDVFKVITKRGEPLRAQLLCYGIAQLGILIASIDYLTPLITMFFLMCYGFVNLATMLNGFLKEPSWRPRFRFYHWFLSFVGLCLCIALMFISSWYYTIVAWALAFAIYKYIEFRGASKEWGDATRGLQMSTAKEAILKLGNKPIHTKNWRPQILVYLPLDENFQARHDRLLDLVYQLKAGHGLTLVASILEGDIIDRRNDMIAAKAHLSDLIQDHRIKGLAEVLVASTIDEGMKNMAQCAGLGNLRHNTLMVSYPEDWRVDCKSSGSKLSKFISTLRAAQACDIAMLVPKGIDSFPLSKGNQMIGNVDVWCIVHDGGLLLLTSYLLMRNRVWRKCHLRIFVVATEEDDIVNLKKDMTKFLYDLRINASVEVVAMSTADISAYVAQRTASIEQRRALLMQMKISTVEARCDPQLIVDQHRKPSSADINPADIVKSNCSIDSHKLLPAISATSTESSDQSPDHATNVTNTSSSDSASKEDTKPSNLKPDTESNDKPISNHSHHCTVSFATGSNVAVSESDKSTNPKENDANSELNRGINEFTFSPSNPLTKLVQKAAREAGSKEEYLLNKAHPGRITRTQRRLHCAVRLNELLRTHSSESDLVIVNMPGPSRTLGSEYYYMDYIETLTDGLSRILLVRGTGREVITAFSE
					

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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	30	Very low	33.9	Very low	234 Å²	234	177.7 Å²	177.7	100%	1.153	87%	0.871	S	S	*	*				0	69.6	0	-160.6	-169.1	-70.8	0	0	111
2	S	34.4	Very low	33.8	Very low	91 Å²	91	174.6 Å²	174.6	64%	0.636	87%	0.87	S	S	*	*			cis	163	120.8	-15.1	-100.9	0	0	0	0	106.1	R4	S2-R4 VanDerWaalsContact C-N 3.35Å; S2-R4 PolarHBondContact O-N 3.5Å
3	V	35.4	Very low	33.5	Very low	150 Å²	150	174.4 Å²	174.4	91%	0.909	86%	0.864	S	S	*	*			trans	56.3	25.5	137.7	-159	0	0	0	0	118.1
4	R	37.1	Very low	33	Very low	241 Å²	241	170 Å²	170	91%	0.909	86%	0.859	S	S	*	*			trans	-122.5	11.8	-177.7	-92.2	-172.4	-179.2	177.7	1.3	118.5	S2	S2-R4 VanDerWaalsContact C-N 3.35Å; S2-R4 PolarHBondContact O-N 3.5Å
5	R	40.3	Very low	33	Very low	248 Å²	248	166.5 Å²	166.5	94%	0.936	85%	0.849	S	S	*	*	S	Bend	trans	-130.3	10.8	-175.4	-90.9	-169.3	-167.8	178.4	5.1	119.6
6	I	38.7	Very low	32.9	Very low	178 Å²	178	167.1 Å²	167.1	91%	0.913	85%	0.848	S	S	*	*			trans	-127.9	68.1	180	-49.2	177.1	0	0	0	110.3
7	S	30.8	Very low	32.7	Very low	120 Å²	120	163.1 Å²	163.1	84%	0.839	85%	0.846	S	S	*	*			trans	-132.8	27.2	173.6	-167.5	0	0	0	0	112.2
8	K	31.9	Very low	32.7	Very low	200 Å²	200	160.2 Å²	160.2	87%	0.87	84%	0.842	S	S	*	*	S	Bend	trans	-146.1	81	174.1	-78.3	-169.3	176.7	-178.2	0	109.9
9	K	32.7	Very low	32.8	Very low	193 Å²	193	162.1 Å²	162.1	84%	0.839	85%	0.846	S	S	*	*			trans	169.4	140.1	151.7	-97.5	168	-179	-172.9	0	108.4
10	F	31.6	Very low	32.6	Very low	198 Å²	198	162.3 Å²	162.3	87%	0.868	85%	0.847	S	S	*	*			trans	102.8	74	175.3	-62.3	-76.1	0	0	0	116.4
11	S	30.1	Very low	32.6	Very low	102 Å²	102	164.7 Å²	164.7	71%	0.713	85%	0.851	S	S	*	*			trans	-66	135.4	144.1	59.1	0	0	0	0	109.7	Q13	S11-Q13 PolarHBondContact O-N 3.28Å
12	V	32.2	Very low	32.8	Very low	140 Å²	140	157.5 Å²	157.5	85%	0.848	84%	0.837	S	S	*	*			trans	-80.9	110.6	169	175.2	0	0	0	0	107.6
13	Q	29.9	Very low	32.7	Very low	172 Å²	172	157.8 Å²	157.8	80%	0.804	85%	0.845	S	S	*	*			trans	-94	122.8	165.6	-105	177.6	-31.4	0	0	108.4	S11	S11-Q13 PolarHBondContact O-N 3.28Å
14	S	27.1	Very low	32.6	Very low	113 Å²	113	160 Å²	160	79%	0.79	84%	0.842	S	S	*	*			trans	-72.7	136.6	163.1	49.2	0	0	0	0	110.6
15	V	33	Very low	32.4	Very low	117 Å²	117	155.4 Å²	155.4	71%	0.709	84%	0.835	S	S	*	*			trans	-136.1	102.2	169.7	178.5	0	0	0	0	105.5
16	E	31.2	Very low	32.1	Very low	177 Å²	177	148.1 Å²	148.1	83%	0.827	82%	0.822	S	S	*	*				58.2	110.5	103.4	-69.4	-179.5	154.2	0	0	113.2
17	A	30.2	Very low	32	Very low	99 Å²	99	146.8 Å²	146.8	82%	0.818	82%	0.816	S	S	*	*				76.3	91.6	69	0	0	0	0	0	115.3
18	S	33	Very low	32.1	Very low	111 Å²	111	149.1 Å²	149.1	78%	0.776	82%	0.818	S	S	*	*			trans	173.7	130.5	141.6	71.1	0	0	0	0	106.5
19	E	32.9	Very low	32.2	Very low	196 Å²	196	143.1 Å²	143.1	92%	0.916	81%	0.812	S	S	*	*				-160.1	148.8	67.9	-73.6	-174.3	132.5	0	0	111.2
20	L	29.3	Very low	32.3	Very low	166 Å²	166	142.9 Å²	142.9	87%	0.869	81%	0.814	S	S	*	*			trans	-125.4	124.8	-174.8	-178.7	137.2	0	0	0	107.7
21	K	32.8	Very low	32.2	Very low	213 Å²	213	138.2 Å²	138.2	93%	0.926	81%	0.806	S	S	*	*			trans	-175.1	119.6	157.4	-107.8	164.4	-173.8	-179.7	0	115.2
22	G	33.7	Very low	32.3	Very low	83 Å²	83	139.7 Å²	139.7	86%	0.856	81%	0.811	S	S	*	*			trans	87.8	130.7	152.9	0	0	0	0	0	116.4
23	A	33.3	Very low	32.3	Very low	97 Å²	97	142 Å²	142	80%	0.802	81%	0.813	S	S	*	*			cis	-161.7	131.3	8.5	0	0	0	0	0	108.5
24	K	32	Very low	32.4	Very low	195 Å²	195	138.5 Å²	138.5	85%	0.848	81%	0.813	S	S	*	*				28.9	130.3	109.6	-74.9	-177	176.3	-179.5	0	114.8
25	L	33.3	Very low	32.5	Very low	146 Å²	146	144.8 Å²	144.8	76%	0.764	82%	0.822	S	S	*	*				-179.5	147.7	53.2	-159.8	85.9	0	0	0	111.5
26	S	35.2	Very low	32.6	Very low	95 Å²	95	144.3 Å²	144.3	66%	0.664	83%	0.829	S	S	*	*			trans	62.4	146.3	147.7	59.6	0	0	0	0	121.8
27	L	35.4	Very low	32.8	Very low	149 Å²	149	139.3 Å²	139.3	78%	0.78	83%	0.825	S	S	*	*			cis	179	137.3	-19	-108.8	161.1	0	0	0	105.4
28	L	34.2	Very low	32.9	Very low	170 Å²	170	142.6 Å²	142.6	89%	0.89	83%	0.828	S	S	*	*			trans	58	123.3	150.4	-72.1	158.7	0	0	0	121.6
29	G	34	Very low	33	Very low	73 Å²	73	142.9 Å²	142.9	75%	0.753	83%	0.827	S	S	*	*			trans	161.4	85	157.5	0	0	0	0	0	115.3
30	E	33.6	Very low	33.1	Very low	188 Å²	188	139.4 Å²	139.4	88%	0.879	82%	0.819	S	S	*	*			trans	41.3	116.2	149.5	-74.6	174.8	145.2	0	0	123.4
31	S	29.1	Very low	33.1	Very low	100 Å²	100	140.9 Å²	140.9	70%	0.699	82%	0.822	S	S	*	*			trans	41.2	110.5	136	62.3	0	0	0	0	121.2
32	T	32.5	Very low	33.1	Very low	134 Å²	134	135.5 Å²	135.5	82%	0.822	81%	0.807	S	S	*	*				175.9	129	113.3	33.3	0	0	0	0	110.7
33	E	32.4	Very low	32.9	Very low	189 Å²	189	138 Å²	138	88%	0.883	81%	0.805	S	S	*	*			trans	55	133.5	150.5	-61.3	-174.3	162.1	0	0	123.3
34	A	31.7	Very low	32.7	Very low	98 Å²	98	139 Å²	139	81%	0.81	80%	0.797	S	S	*	*			trans	84.8	121.9	147	0	0	0	0	0	121
35	Y	29.8	Very low	32.6	Very low	245 Å²	245	136.9 Å²	136.9	96%	0.961	79%	0.79	S	S	*	*			trans	-35.9	122.8	171.6	-83.8	-105.3	0	0	0	117
36	A	34.2	Very low	32.5	Very low	106 Å²	106	136.1 Å²	136.1	88%	0.876	79%	0.786	S	S	*	*			trans	-144.1	147.9	150.8	0	0	0	0	0	105.9
37	G	36.6	Very low	32.4	Very low	72 Å²	72	137.7 Å²	137.7	74%	0.742	79%	0.786	S	S	*	*			cis	164.1	139.4	10.4	0	0	0	0	0	104.7
38	I	32.6	Very low	32.1	Very low	168 Å²	168	138 Å²	138	86%	0.862	78%	0.783	S	S	*	*			trans	-108.8	127.7	164.2	-61.6	175.1	0	0	0	105.3
39	P	34.3	Very low	31.8	Very low	118 Å²	118	134.9 Å²	134.9	77%	0.766	78%	0.783	S	S	*	*			trans	-81.8	126.6	-159.4	31.1	-33.2	0	0	0	112.2
40	T	34.9	Very low	31.8	Very low	123 Å²	123	139.2 Å²	139.2	76%	0.755	78%	0.783	S	S	*	*			trans	-99.8	111.7	151.3	44.2	0	0	0	0	107.1	V42	T40-V42 VanDerWaalsContact C-N 3.28Å; T40-V42 PolarHBondContact O-N 3.25Å
41	E	28.7	Very low	31.7	Very low	196 Å²	196	137.5 Å²	137.5	92%	0.916	78%	0.78	S	S	*	*			trans	-59.6	95.6	163	-81.9	-179.8	146.8	0	0	108.3
42	V	32.9	Very low	31.7	Very low	101 Å²	101	141.5 Å²	141.5	61%	0.612	79%	0.788	S	S	*	*			trans	-94.2	118.1	155.3	178.8	0	0	0	0	104.4	T40 D44	T40-V42 VanDerWaalsContact C-N 3.28Å; T40-V42 PolarHBondContact O-N 3.25Å; V42-D44 PolarHBondContact O-N 2.95Å; V42-D44 VanDerWaalsContact O-N 3.13Å
43	V	29.8	Very low	31.6	Very low	136 Å²	136	142.3 Å²	142.3	82%	0.824	79%	0.787	S	S	*	*			trans	-71.4	103.8	170.4	176.5	0	0	0	0	106.6
44	D	29.6	Very low	31.5	Very low	117 Å²	117	140.5 Å²	140.5	63%	0.626	78%	0.784	S	S	*	*			trans	-71.3	119.7	168.5	-67	-40.5	0	0	0	109.2	V42	V42-D44 PolarHBondContact O-N 2.95Å; V42-D44 VanDerWaalsContact O-N 3.13Å
45	E	30.8	Very low	31.5	Very low	150 Å²	150	142.6 Å²	142.6	70%	0.701	79%	0.787	S	S	*	*			trans	-97.6	80.3	150.7	-89.7	-166.3	142.3	0	0	106.6	K92	E45-K92 IonicContact OE1-NZ 3.69Å; E45-K92 PolarHBondContact OE1-NZ 2.71Å; E45-K92 IonicContact OE2-NZ 2.73Å; E45-K92 PolarHBondContact OE2-NZ 3.29Å
46	D	30.2	Very low	31.5	Very low	130 Å²	130	138.8 Å²	138.8	70%	0.695	78%	0.778	S	S	*	*			trans	-78.8	122.1	160	-71.4	-35.6	0	0	0	108.8
47	I	32.9	Very low	31.2	Very low	129 Å²	129	140.4 Å²	140.4	66%	0.662	77%	0.771	S	S	*	*			trans	-134.6	94.6	145.9	-61.8	-176.7	0	0	0	106.1
48	E	29.7	Very low	31	Very low	154 Å²	154	143.8 Å²	143.8	72%	0.72	77%	0.772	S	S	*	*			trans	53.6	92.9	136.2	-61.7	167.2	-171.7	0	0	116.5
49	A	28.6	Very low	30.8	Very low	106 Å²	106	143.6 Å²	143.6	88%	0.876	77%	0.772	S	S	*	*			trans	-94	92.8	134.7	0	0	0	0	0	106.2
50	E	32.5	Very low	30.9	Very low	164 Å²	164	145.2 Å²	145.2	77%	0.766	77%	0.767	S	S	*	*			trans	-93.1	140.6	163.7	-79.7	-169.7	160.6	0	0	109.5
51	D	31.3	Very low	31	Very low	151 Å²	151	147 Å²	147	81%	0.807	77%	0.766	S	S	*	*			trans	-58.3	150.2	-177.2	-54.4	-66.5	0	0	0	113
52	E	30.6	Very low	31	Very low	184 Å²	184	146.9 Å²	146.9	86%	0.86	77%	0.766	S	S	*	*			trans	-171.3	91.6	132	-103.8	174.2	-168.4	0	0	109.2
53	D	30.7	Very low	31	Very low	152 Å²	152	147.4 Å²	147.4	81%	0.813	77%	0.766	S	S	*	*			trans	-57.2	138.3	147.8	-79	-39.2	0	0	0	108.7
54	N	29.8	Very low	30.9	Very low	151 Å²	151	148.3 Å²	148.3	81%	0.807	77%	0.766	S	S	*	*			trans	98.2	74.4	178.4	-53.8	-51.3	0	0	0	116.6
55	T	32.3	Very low	31	Very low	142 Å²	142	149.9 Å²	149.9	87%	0.871	77%	0.767	S	S	*	*			trans	-143.3	96.8	132.4	-14.2	0	0	0	0	110.9
56	Q	28.8	Very low	31	Very low	165 Å²	165	148.9 Å²	148.9	77%	0.771	77%	0.771	S	S	*	*			trans	-41	144.1	159.2	-90.3	178.9	-20.1	0	0	113.5
57	L	28	Very low	31	Very low	140 Å²	140	150.7 Å²	150.7	73%	0.733	78%	0.78	S	S	*	*			trans	58.5	103.9	151.7	-77	96.3	0	0	0	117.4
58	N	32.5	Very low	31.3	Very low	143 Å²	143	148.8 Å²	148.8	77%	0.765	78%	0.776	S	S	*	*				-162.2	106	112.4	-94.9	-22.8	0	0	0	111.6	F60	N58-F60 HydrophobicContact CB-CD2 4.11Å; N58-F60 HydrophobicContact CB-CE2 4.18Å; N58-F60 PolarHBondContact O-N 3.49Å
59	L	29	Very low	31.9	Very low	164 Å²	164	145.7 Å²	145.7	86%	0.859	77%	0.769	S	S	*	*			trans	-65.7	105.7	163.1	176	94.4	0	0	0	109.7
60	F	35.4	Very low	32.4	Very low	152 Å²	152	148.4 Å²	148.4	67%	0.667	77%	0.766	S	S	*	*			trans	-153.7	103.5	162.6	-68.8	-73.1	0	0	0	107.1	N58	N58-F60 HydrophobicContact CB-CD2 4.11Å; N58-F60 HydrophobicContact CB-CE2 4.18Å; N58-F60 PolarHBondContact O-N 3.49Å
61	E	37.4	Very low	33.1	Very low	159 Å²	159	144.3 Å²	144.3	74%	0.743	76%	0.755	S	S	*	*				108.2	118.4	86.3	-96.1	-179.1	148.1	0	0	108.5	D63	E61-D63 PolarHBondContact O-N 3.23Å
62	E	28.4	Very low	34.1	Very low	195 Å²	195	141.5 Å²	141.5	91%	0.911	74%	0.74	S	S	*	*			trans	-52.4	102.6	155.6	-69	170.6	134.2	0	0	108.8	D64	E62-D64 PolarHBondContact O-N 3.13Å
63	D	32	Very low	34.8	Very low	112 Å²	112	140.4 Å²	140.4	60%	0.599	73%	0.729	S	S	*	*			trans	-94.4	81.5	161.3	-101.8	-28.2	0	0	0	109.1	E61 K65	E61-D63 PolarHBondContact O-N 3.23Å; D63-K65 PolarHBondContact O-N 3.44Å; D63-K65 WeakPolarHBondContact OD1-CE 3.44Å; D63-K65 IonicContact OD1-NZ 3.14Å; D63-K65 PolarHBondContact OD1-NZ 3.36Å
64	D	29.5	Very low	35.7	Very low	155 Å²	155	140.2 Å²	140.2	83%	0.829	72%	0.721	S	S	*	*			trans	-53.9	92.7	140.3	-102.3	-21.6	0	0	0	107.9	E62	E62-D64 PolarHBondContact O-N 3.13Å
65	K	30	Very low	36.8	Very low	150 Å²	150	135.5 Å²	135.5	65%	0.652	71%	0.708	S	S	*	*			trans	-160.2	100.4	169.4	-112	157.5	-103.6	151.8	0	113.9	D63	D63-K65 PolarHBondContact O-N 3.44Å; D63-K65 WeakPolarHBondContact OD1-CE 3.44Å; D63-K65 IonicContact OD1-NZ 3.14Å; D63-K65 PolarHBondContact OD1-NZ 3.36Å
66	T	31.6	Very low	37.8	Very low	128 Å²	128	134.8 Å²	134.8	79%	0.785	69%	0.692	S	S	*	*			trans	73.7	121	136.1	63.2	0	0	0	0	119
67	L	30.5	Very low	39	Very low	168 Å²	168	129.8 Å²	129.8	88%	0.88	67%	0.671	S	S	*	*			trans	-39.6	127.9	169.5	-70.4	124.5	0	0	0	111.9
68	P	39.7	Very low	40	Very low	89 Å²	89	126.7 Å²	126.7	58%	0.578	67%	0.665	S	S	*	*			trans	-68.2	146	174.5	28.7	-31.9	0	0	0	109.6
69	P	40.5	Very low	41	Very low	90 Å²	90	122.4 Å²	122.4	58%	0.584	65%	0.65	S	S	*	*			trans	-57.4	144.6	174.8	24.3	-32.6	0	0	0	110.2	S71 N72	P69-S71 PolarHBondContact O-N 2.97Å; P69-N72 PolarHBondContact O-N 3.29Å
70	M	39.9	Very low	42.3	Very low	162 Å²	162	114.8 Å²	114.8	80%	0.798	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.8	-17.8	-178.5	-87.3	-156.8	-81	0	0	114.6	N72 W73	M70-N72 VanDerWaalsContact C-N 3.33Å; M70-N72 PolarHBondContact O-N 3Å; M70-W73 WeakPolarHBondContact O-CB 3.45Å; M70-W73 PolarHBondContact O-N 2.87Å; M70-W73 VanDerWaalsContact O-N 3.11Å
71	S	48	Very low	43.4	Very low	79 Å²	79	110 Å²	110	55%	0.552	59%	0.593	S	S	*	*	H	α-helix	trans	-59.8	-35.6	179.4	57.4	0	0	0	0	114	P69 W73 F74	P69-S71 PolarHBondContact O-N 2.97Å; S71-W73 VanDerWaalsContact C-N 3.25Å; S71-W73 PolarHBondContact O-N 3.34Å; S71-F74 PolarHBondContact O-N 3.41Å
72	N	52.2	Low	44	Very low	92 Å²	92	102.7 Å²	102.7	49%	0.492	56%	0.56	S	S	.	*	H	α-helix	trans	-72.5	-19.4	177.9	-87.1	-19.5	0	0	0	113.2	P69 M70 K76	P69-N72 PolarHBondContact O-N 3.29Å; M70-N72 VanDerWaalsContact C-N 3.33Å; M70-N72 PolarHBondContact O-N 3Å; N72-K76 WeakPolarHBondContact O-CG 3.49Å; N72-K76 PolarHBondContact O-N 3.08Å
73	W	43.7	Very low	45.1	Very low	161 Å²	161	93.9 Å²	93.9	61%	0.61	52%	0.521	S	S	*	.	H	α-helix	trans	-71.7	-39.3	178.1	-120.8	75.1	0	0	0	111.4	M70 S71 K76 L77	M70-W73 WeakPolarHBondContact O-CB 3.45Å; M70-W73 PolarHBondContact O-N 2.87Å; M70-W73 VanDerWaalsContact O-N 3.11Å; S71-W73 VanDerWaalsContact C-N 3.25Å; S71-W73 PolarHBondContact O-N 3.34Å; W73-K76 PolarHBondContact O-N 2.95Å; W73-L77 HydrophobicContact CE3-CD1 3.63Å; W73-L77 HydrophobicContact CE3-CG 4.22Å; W73-L77 HydrophobicContact CZ3-CD1 4.09Å; W73-L77 WeakPolarHBondContact O-CB 3.44Å; W73-L77 WeakPolarHBondContact O-CG 3.16Å; W73-L77 PolarHBondContact O-N 3.17Å
74	F	50.2	Low	46.2	Very low	148 Å²	148	89.3 Å²	89.3	65%	0.649	50%	0.497	S	S	*	.	H	α-helix	trans	-64.6	-41.7	175.7	-73.6	-73.8	0	0	0	112.6	S71 K76 L77 A78	S71-F74 PolarHBondContact O-N 3.41Å; F74-K76 VanDerWaalsContact C-N 3.33Å; F74-K76 PolarHBondContact O-N 2.82Å; F74-L77 PolarHBondContact O-N 2.85Å; F74-A78 WeakPolarHBondContact O-CB 3.42Å; F74-A78 PolarHBondContact O-N 3.42Å
75	G	52.5	Low	47.5	Very low	52 Å²	52	82.7 Å²	82.7	54%	0.536	46%	0.461	S	S	.	.	H	α-helix	trans	-62.6	-38.8	175.3	0	0	0	0	0	112.8	A78 A79	G75-A78 PolarHBondContact O-N 2.77Å; G75-A79 PolarHBondContact O-N 3.19Å
76	K	54.3	Low	48.4	Very low	126 Å²	126	78.3 Å²	78.3	55%	0.548	45%	0.448	S	S	.	.	H	α-helix	trans	-70.1	-39.4	174.4	-74.1	-179.5	179.4	-179.6	0	112.3	N72 W73 F74 A78 A79 Y80 L111	N72-K76 WeakPolarHBondContact O-CG 3.49Å; N72-K76 PolarHBondContact O-N 3.08Å; W73-K76 PolarHBondContact O-N 2.95Å; F74-K76 VanDerWaalsContact C-N 3.33Å; F74-K76 PolarHBondContact O-N 2.82Å; K76-A78 VanDerWaalsContact C-N 3.3Å; K76-A78 PolarHBondContact O-N 3.07Å; K76-A79 PolarHBondContact O-N 2.89Å; K76-A79 VanDerWaalsContact O-N 3.14Å; K76-Y80 PolarHBondContact O-N 3.38Å; K76-L111 HydrophobicContact CB-CD2 4.17Å; K76-L111 WeakPolarHBondContact O-CD2 3.35Å
77	L	53.5	Low	49.4	Very low	61 Å²	61	72.7 Å²	72.7	32%	0.319	41%	0.413	S	S	.	.	H	α-helix	trans	-62.9	-36.3	173.4	-84.5	161.8	0	0	0	112.1	W73 F74 A79 Y80	W73-L77 HydrophobicContact CE3-CD1 3.63Å; W73-L77 HydrophobicContact CE3-CG 4.22Å; W73-L77 HydrophobicContact CZ3-CD1 4.09Å; W73-L77 WeakPolarHBondContact O-CB 3.44Å; W73-L77 WeakPolarHBondContact O-CG 3.16Å; W73-L77 PolarHBondContact O-N 3.17Å; F74-L77 PolarHBondContact O-N 2.85Å; L77-A79 PolarHBondContact O-N 3.21Å; L77-Y80 WeakPolarHBondContact O-CB 3.29Å; L77-Y80 PolarHBondContact O-N 2.56Å
78	A	48.1	Very low	50.2	Low	74 Å²	74	67.7 Å²	67.7	61%	0.612	39%	0.389	S	S	*	.	H	α-helix	trans	-64.5	-23.9	175.4	0	0	0	0	0	113	F74 G75 K76	F74-A78 WeakPolarHBondContact O-CB 3.42Å; F74-A78 PolarHBondContact O-N 3.42Å; G75-A78 PolarHBondContact O-N 2.77Å; K76-A78 VanDerWaalsContact C-N 3.3Å; K76-A78 PolarHBondContact O-N 3.07Å
79	A	54.3	Low	50.4	Low	54 Å²	54	66.4 Å²	66.4	45%	0.446	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	3	173.5	0	0	0	0	0	113.5	G75 K76 L77 T81	G75-A79 PolarHBondContact O-N 3.19Å; K76-A79 PolarHBondContact O-N 2.89Å; K76-A79 VanDerWaalsContact O-N 3.14Å; L77-A79 PolarHBondContact O-N 3.21Å; A79-T81 PolarHBondContact O-N 3.21Å
80	Y	57.2	Low	50.2	Low	4 Å²	4	68.8 Å²	68.8	2%	0.016	40%	0.396	C	S	.	.			trans	-66.8	115.6	176.7	-176.4	-100.1	0	0	0	111	K76 L77 L111 L115 P116 Q119 S260 A263 A264	K76-Y80 PolarHBondContact O-N 3.38Å; L77-Y80 WeakPolarHBondContact O-CB 3.29Å; L77-Y80 PolarHBondContact O-N 2.56Å; Y80-L111 HydrophobicContact CD2-CD1 3.65Å; Y80-L111 HydrophobicContact CD2-CG 4.19Å; Y80-L111 HydrophobicContact CE2-CD1 4.47Å; Y80-L111 HydrophobicContact CG-CD1 4.46Å; Y80-L115 HydrophobicContact CE2-CB 4.01Å; Y80-P116 HydrophobicContact CE2-CG 3.99Å; Y80-P116 WeakPolarHBondContact OH-CA 3.37Å; Y80-Q119 PolarHBondContact OH-OE1 3.26Å; Y80-S260 CarbonylContact O-C 3.54Å; Y80-A263 HydrophobicContact CD1-CB 4.32Å; Y80-A263 HydrophobicContact CE1-CB 3.86Å; Y80-A264 HydrophobicContact CD1-CB 3.75Å; Y80-A264 HydrophobicContact CE1-CB 4.48Å; Y80-A264 HydrophobicContact CG-CB 4.35Å
81	T	58.8	Low	50.5	Low	52 Å²	52	63 Å²	63	32%	0.319	37%	0.37	S	S	.	.			trans	-115.3	86.8	-175.7	45	0	0	0	0	112.9	A79 G83 R419	A79-T81 PolarHBondContact O-N 3.21Å; T81-G83 VanDerWaalsContact C-N 3.28Å; T81-G83 PolarHBondContact O-N 2.97Å; T81-R419 PolarHBondContact O-NE 2.89Å; T81-R419 PolarHBondContact O-NH1 3.43Å; T81-R419 PolarHBondContact O-NH2 3.36Å
82	G	48	Very low	50.2	Low	4 Å²	4	63.7 Å²	63.7	4%	0.041	36%	0.363	C	S	.	.			trans	-32.9	-49.2	177.8	0	0	0	0	0	117.3	R419 Q500	G82-R419 VanDerWaalsContact C-NH2 3.31Å; G82-R419 PolarHBondContact O-NH2 2.86Å; G82-R419 VanDerWaalsContact O-NH2 3.12Å; G82-Q500 PolarHBondContact O-NE2 3.16Å
83	G	52	Low	49.6	Very low	10 Å²	10	66.2 Å²	66.2	10%	0.103	37%	0.372	C	S	.	.	S	Bend	trans	-80.4	176.2	-165.8	0	0	0	0	0	117.5	T81	T81-G83 VanDerWaalsContact C-N 3.28Å; T81-G83 PolarHBondContact O-N 2.97Å
84	I	56.5	Low	49.3	Very low	16 Å²	16	63.4 Å²	63.4	8%	0.082	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-69.4	139.9	171.6	-52.3	-169.9	0	0	0	109	N418 G504 R507 L508	I84-N418 HydrophobicContact CB-CB 4.33Å; I84-N418 HydrophobicContact CG1-CB 3.91Å; I84-N418 HydrophobicContact CG2-CB 4.28Å; I84-G504 VanDerWaalsContact CD1-CA 3.44Å; I84-G504 VanDerWaalsContact CD1-O 3.24Å; I84-G504 WeakPolarHBondContact CD1-O 3.35Å; I84-R507 HydrophobicContact CB-CB 4.22Å; I84-R507 HydrophobicContact CG2-CB 4.29Å; I84-R507 VanDerWaalsContact O-CD 3.23Å; I84-R507 WeakPolarHBondContact O-CD 3.23Å; I84-R507 PolarHBondContact O-NH1 2.91Å; I84-L508 HydrophobicContact CD1-CB 4.44Å
85	E	55.6	Low	49	Very low	17 Å²	17	61.3 Å²	61.3	8%	0.079	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-59.4	141.5	176.2	-76.7	171	-151.5	0	0	111.9	T87 N418 R419 G421 D422	E85-T87 PolarHBondContact O-N 2.89Å; E85-N418 PolarHBondContact N-O 2.64Å; E85-R419 WeakPolarHBondContact OE1-CA 3.29Å; E85-G421 PolarHBondContact OE1-N 3.1Å; E85-G421 VanDerWaalsContact OE1-N 3.16Å; E85-G421 VanDerWaalsContact OE2-CA 3.25Å; E85-G421 WeakPolarHBondContact OE2-CA 3.17Å; E85-G421 PolarHBondContact OE2-N 3.37Å; E85-D422 WeakPolarHBondContact OE1-CB 3.31Å; E85-D422 VanDerWaalsContact OE1-CG 3.23Å; E85-D422 PolarHBondContact OE1-N 3.43Å
86	P	50	Low	48.4	Very low	58 Å²	58	63.7 Å²	63.7	38%	0.377	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-63.6	133.9	169.4	27.6	-31.3	0	0	0	109.3
87	T	51.6	Low	47.5	Very low	9 Å²	9	66.6 Å²	66.6	6%	0.055	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-64.6	146.5	-172.1	50.1	0	0	0	0	113.3	E85 T91 F176 Q510 A511 Q514	E85-T87 PolarHBondContact O-N 2.89Å; T87-T91 PolarHBondContact O-OG1 3.37Å; T87-F176 HydrophobicContact CG2-CE2 3.82Å; T87-Q510 PolarHBondContact OG1-NE2 2.84Å; T87-Q510 VanDerWaalsContact OG1-NE2 3.12Å; T87-A511 HydrophobicContact CG2-CB 3.73Å; T87-Q514 VanDerWaalsContact OG1-CD 3.25Å; T87-Q514 PolarHBondContact OG1-NE2 3.17Å; T87-Q514 PolarHBondContact OG1-OE1 2.92Å
88	V	48.3	Very low	46.9	Very low	63 Å²	63	69.4 Å²	69.4	38%	0.382	38%	0.38	S	S	.	.	S	Bend	trans	-83	117.2	-176.6	-173.3	0	0	0	0	109.6	T91 K92 A171	V88-T91 WeakPolarHBondContact CA-OG1 3.47Å; V88-K92 HydrophobicContact CG1-CB 4.5Å; V88-K92 HydrophobicContact CG1-CG 4.05Å; V88-A171 HydrophobicContact CG2-CB 4.35Å
89	G	43.3	Very low	46.3	Very low	62 Å²	62	70.8 Å²	70.8	64%	0.639	38%	0.381	S	S	*	.	S	Bend	trans	-168.1	-29	175	0	0	0	0	0	112.8
90	E	35.8	Very low	45.3	Very low	141 Å²	141	78 Å²	78	66%	0.659	40%	0.402	S	S	*	.	S	Bend	trans	-126.8	-13.8	167.4	-69.1	177.3	150	0	0	111.9	K92 Q93 L94	E90-K92 PolarHBondContact O-N 2.82Å; E90-Q93 PolarHBondContact O-N 2.88Å; E90-L94 PolarHBondContact O-N 3.05Å; E90-L94 VanDerWaalsContact O-N 3.11Å
91	T	45.8	Very low	44	Very low	41 Å²	41	83 Å²	83	25%	0.252	44%	0.437	S	S	.	.	H	α-helix	trans	-68.5	-17.4	173.8	18.1	0	0	0	0	113.6	T87 V88 K95	T87-T91 PolarHBondContact O-OG1 3.37Å; V88-T91 WeakPolarHBondContact CA-OG1 3.47Å; T91-K95 WeakPolarHBondContact O-CA 3.5Å; T91-K95 WeakPolarHBondContact O-CB 3.16Å; T91-K95 VanDerWaalsContact O-CG 3.25Å; T91-K95 WeakPolarHBondContact O-CG 3.21Å; T91-K95 PolarHBondContact O-N 3.22Å
92	K	42.4	Very low	42.5	Very low	92 Å²	92	83.5 Å²	83.5	40%	0.4	44%	0.443	S	S	.	.	H	α-helix	trans	-66.1	-49	169.1	-107	-176.3	166.5	-165.4	0	110.7	E45 V88 E90 L94 K95 E96	E45-K92 IonicContact OE1-NZ 3.69Å; E45-K92 PolarHBondContact OE1-NZ 2.71Å; E45-K92 IonicContact OE2-NZ 2.73Å; E45-K92 PolarHBondContact OE2-NZ 3.29Å; V88-K92 HydrophobicContact CG1-CB 4.5Å; V88-K92 HydrophobicContact CG1-CG 4.05Å; E90-K92 PolarHBondContact O-N 2.82Å; K92-L94 PolarHBondContact O-N 3.19Å; K92-K95 PolarHBondContact O-N 3.09Å; K92-E96 WeakPolarHBondContact O-CB 3.47Å; K92-E96 WeakPolarHBondContact O-CG 3.49Å; K92-E96 PolarHBondContact O-N 3.32Å
93	Q	38.8	Very low	41.9	Very low	146 Å²	146	90.6 Å²	90.6	68%	0.682	48%	0.48	S	S	*	.	H	α-helix	trans	-69.4	-31.1	177.4	-66.3	-173.1	-2.6	0	0	113.3	E90 K97	E90-Q93 PolarHBondContact O-N 2.88Å; Q93-K97 PolarHBondContact O-N 3.07Å
94	L	39.1	Very low	41.8	Very low	101 Å²	101	96.2 Å²	96.2	53%	0.529	51%	0.508	S	S	.	.	H	α-helix	trans	-77.4	-34.6	173.1	-86.3	156.1	0	0	0	113	E90 K92 Q98	E90-L94 PolarHBondContact O-N 3.05Å; E90-L94 VanDerWaalsContact O-N 3.11Å; K92-L94 PolarHBondContact O-N 3.19Å; L94-Q98 WeakPolarHBondContact O-CB 3.49Å; L94-Q98 WeakPolarHBondContact O-CG 3.47Å; L94-Q98 PolarHBondContact O-N 2.91Å
95	K	43.1	Very low	41.8	Very low	105 Å²	105	103.4 Å²	103.4	46%	0.457	54%	0.538	S	S	.	.	H	α-helix	trans	-71.4	-36.5	172.4	-79.5	-176.2	170.9	-176.3	0	110.7	T91 K92 K97 Q98 T99 D422	T91-K95 WeakPolarHBondContact O-CA 3.5Å; T91-K95 WeakPolarHBondContact O-CB 3.16Å; T91-K95 VanDerWaalsContact O-CG 3.25Å; T91-K95 WeakPolarHBondContact O-CG 3.21Å; T91-K95 PolarHBondContact O-N 3.22Å; K92-K95 PolarHBondContact O-N 3.09Å; K95-K97 VanDerWaalsContact C-N 3.33Å; K95-K97 PolarHBondContact O-N 2.73Å; K95-Q98 CarbonylContact O-C 3.38Å; K95-Q98 PolarHBondContact O-N 3.21Å; K95-T99 WeakPolarHBondContact O-CB 3.48Å; K95-T99 WeakPolarHBondContact O-CG2 3.33Å; K95-T99 PolarHBondContact O-N 3.31Å; K95-T99 PolarHBondContact O-OG1 3.2Å; K95-D422 IonicContact NZ-OD1 3.48Å
96	E	38.9	Very low	42.5	Very low	101 Å²	101	110.9 Å²	110.9	47%	0.472	57%	0.566	S	S	.	*	H	α-helix	trans	-65.5	-31.5	174.7	-81	167.7	-175.9	0	0	113.4	K92 T99	K92-E96 WeakPolarHBondContact O-CB 3.47Å; K92-E96 WeakPolarHBondContact O-CG 3.49Å; K92-E96 PolarHBondContact O-N 3.32Å; E96-T99 VanDerWaalsContact CA-OG1 3.31Å; E96-T99 WeakPolarHBondContact CA-OG1 3.35Å; E96-T99 PolarHBondContact O-OG1 2.96Å
97	K	36	Very low	43.7	Very low	188 Å²	188	109 Å²	109	82%	0.817	55%	0.552	S	S	*	*	H	α-helix	trans	-79.7	-14.6	169.9	-81.4	-177.2	175.2	177	0	114.1	Q93 K95	Q93-K97 PolarHBondContact O-N 3.07Å; K95-K97 VanDerWaalsContact C-N 3.33Å; K95-K97 PolarHBondContact O-N 2.73Å
98	Q	40.6	Very low	45.3	Very low	120 Å²	120	110.3 Å²	110.3	56%	0.561	57%	0.568	S	S	*	*	H	α-helix	trans	-102.4	-18.5	178.4	-75.2	-179.3	-5.7	0	0	113.8	L94 K95 K100 S101	L94-Q98 WeakPolarHBondContact O-CB 3.49Å; L94-Q98 WeakPolarHBondContact O-CG 3.47Å; L94-Q98 PolarHBondContact O-N 2.91Å; K95-Q98 CarbonylContact O-C 3.38Å; K95-Q98 PolarHBondContact O-N 3.21Å; Q98-K100 PolarHBondContact O-N 3.19Å; Q98-K100 VanDerWaalsContact O-N 3.13Å; Q98-S101 PolarHBondContact O-N 3.49Å
99	T	36.6	Very low	47.3	Very low	102 Å²	102	108.9 Å²	108.9	63%	0.626	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-7.6	-178.2	28.8	0	0	0	0	114.4	K95 E96	K95-T99 WeakPolarHBondContact O-CB 3.48Å; K95-T99 WeakPolarHBondContact O-CG2 3.33Å; K95-T99 PolarHBondContact O-N 3.31Å; K95-T99 PolarHBondContact O-OG1 3.2Å; E96-T99 VanDerWaalsContact CA-OG1 3.31Å; E96-T99 WeakPolarHBondContact CA-OG1 3.35Å; E96-T99 PolarHBondContact O-OG1 2.96Å
100	K	33.6	Very low	49.4	Very low	206 Å²	206	111 Å²	111	90%	0.896	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	0.8	172.2	-76.4	-173.3	175	-178.7	0	114.8	Q98	Q98-K100 PolarHBondContact O-N 3.19Å; Q98-K100 VanDerWaalsContact O-N 3.13Å
101	S	28.6	Very low	51.6	Low	108 Å²	108	105.6 Å²	105.6	76%	0.755	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150	6.5	-175.2	64.3	0	0	0	0	119.4	Q98	Q98-S101 PolarHBondContact O-N 3.49Å
102	S	28.7	Very low	53.2	Low	63 Å²	63	103.7 Å²	103.7	44%	0.441	52%	0.519	S	S	.	.			trans	-149.1	122.9	163.2	85.8	0	0	0	0	113.9	N104	S102-N104 PolarHBondContact O-N 3.48Å; S102-N104 PolarHBondContact OG-ND2 3.47Å; S102-N104 PolarHBondContact OG-OD1 2.69Å
103	D	35.4	Very low	55.4	Low	153 Å²	153	99.3 Å²	99.3	82%	0.818	50%	0.5	S	S	*	.			trans	-64.9	69.7	165.5	-157.5	20.6	0	0	0	109	K105	D103-K105 VanDerWaalsContact C-N 3.27Å; D103-K105 PolarHBondContact O-N 2.81Å
104	N	49.9	Very low	57.9	Low	129 Å²	129	94.1 Å²	94.1	69%	0.69	48%	0.475	S	S	*	.			trans	-68.2	89.5	179.2	-87.3	-11.7	0	0	0	108.7	S102 R106	S102-N104 PolarHBondContact O-N 3.48Å; S102-N104 PolarHBondContact OG-ND2 3.47Å; S102-N104 PolarHBondContact OG-OD1 2.69Å; N104-R106 PolarHBondContact O-N 3Å
105	K	56.4	Low	60.2	Low	166 Å²	166	90.7 Å²	90.7	72%	0.722	46%	0.457	S	S	*	.			trans	-44.7	107	178.6	-65.8	174	-177.8	177.2	0	111	D103	D103-K105 VanDerWaalsContact C-N 3.27Å; D103-K105 PolarHBondContact O-N 2.81Å
106	R	69.3	Low	62.1	Low	175 Å²	175	85.7 Å²	85.7	66%	0.66	44%	0.435	S	S	*	.			trans	-53.9	148.8	175.8	-65.5	-170.7	-178.1	178.4	-0.3	111.9	N104 T424	N104-R106 PolarHBondContact O-N 3Å; R106-T424 WeakPolarHBondContact CB-OG1 3.41Å
107	L	75.8	Confident	64.5	Low	17 Å²	17	80.9 Å²	80.9	9%	0.089	41%	0.413	C	S	.	.	B	Isolated β-bridge	trans	-78.4	139.3	-178	-63.5	172.2	0	0	0	111.3	L111 D422 L423 T424	L107-L111 HydrophobicContact CD2-CD2 3.73Å; L107-L111 HydrophobicContact CD2-CG 4.22Å; L107-D422 HydrophobicContact CD1-CB 3.88Å; L107-D422 HydrophobicContact CG-CB 4.35Å; L107-D422 PolarHBondContact N-O 3.11Å; L107-L423 HydrophobicContact CB-CD2 4.22Å; L107-L423 WeakPolarHBondContact O-CA 3.43Å; L107-T424 PolarHBondContact O-N 3.2Å; L107-T424 PolarHBondContact O-OG1 3.31Å
108	G	84.8	Confident	67	Low	37 Å²	37	72.2 Å²	72.2	38%	0.381	38%	0.376	S	S	.	.			trans	-85.9	176.5	170.3	0	0	0	0	0	113	I110 G112	G108-I110 VanDerWaalsContact C-N 3.35Å; G108-I110 PolarHBondContact O-N 3.38Å; G108-G112 WeakPolarHBondContact O-CA 3.2Å; G108-G112 PolarHBondContact O-N 3.05Å
109	T	89.9	Confident	69.2	Low	33 Å²	33	66.8 Å²	66.8	20%	0.202	35%	0.35	C	S	.	.	H	α-helix	trans	-55.5	-42.8	-178.5	-53.9	0	0	0	0	113.9	V113 F114 S429 M432	T109-V113 WeakPolarHBondContact O-CB 3.39Å; T109-V113 PolarHBondContact O-N 3.43Å; T109-F114 PolarHBondContact O-N 3.47Å; T109-S429 WeakPolarHBondContact OG1-CB 3.34Å; T109-S429 PolarHBondContact OG1-OG 3.33Å; T109-M432 HydrophobicContact CG2-CB 4.14Å; T109-M432 HydrophobicContact CG2-CG 4.24Å; T109-M432 HydrophobicContact CG2-SD 4.41Å
110	I	88.1	Confident	71.4	Confident	107 Å²	107	62.7 Å²	62.7	55%	0.549	33%	0.325	S	S	.	.	I	π-helix	trans	-67.9	-55.5	-174.6	-62.6	174.7	0	0	0	110.7	G108 F114 L115	G108-I110 VanDerWaalsContact C-N 3.35Å; G108-I110 PolarHBondContact O-N 3.38Å; I110-F114 HydrophobicContact CG2-CD1 4.18Å; I110-F114 PolarHBondContact O-N 3.1Å; I110-L115 HydrophobicContact CG2-CD1 4.31Å; I110-L115 HydrophobicContact CG2-CG 4.2Å; I110-L115 WeakPolarHBondContact O-CG 3.42Å; I110-L115 PolarHBondContact O-N 3.23Å
111	L	82.1	Confident	74.1	Confident	28 Å²	28	53 Å²	53	15%	0.147	28%	0.282	C	S	.	.	I	π-helix	trans	-76.6	-32.1	-174.6	-166.1	69.7	0	0	0	112.6	K76 Y80 L107 L115 P116 R419	K76-L111 HydrophobicContact CB-CD2 4.17Å; K76-L111 WeakPolarHBondContact O-CD2 3.35Å; Y80-L111 HydrophobicContact CD2-CD1 3.65Å; Y80-L111 HydrophobicContact CD2-CG 4.19Å; Y80-L111 HydrophobicContact CE2-CD1 4.47Å; Y80-L111 HydrophobicContact CG-CD1 4.46Å; L107-L111 HydrophobicContact CD2-CD2 3.73Å; L107-L111 HydrophobicContact CD2-CG 4.22Å; L111-L115 HydrophobicContact CD1-CD1 4.06Å; L111-P116 WeakPolarHBondContact O-CD 3.23Å; L111-R419 PolarHBondContact O-NH1 3.45Å
112	G	79.2	Confident	77	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.249	C	C	.	.	I	π-helix	trans	-87.9	-30	-175.6	0	0	0	0	0	115	G108	G108-G112 WeakPolarHBondContact O-CA 3.2Å; G108-G112 PolarHBondContact O-N 3.05Å
113	V	89.2	Confident	79.5	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.23	C	C	.	.	I	π-helix	trans	-126.2	-53.4	-173.9	-174	0	0	0	0	112.5	T109 P116 C117 L423 I430	T109-V113 WeakPolarHBondContact O-CB 3.39Å; T109-V113 PolarHBondContact O-N 3.43Å; V113-P116 WeakPolarHBondContact O-CD 3.47Å; V113-C117 WeakPolarHBondContact O-CB 3.42Å; V113-C117 PolarHBondContact O-N 2.99Å; V113-L423 HydrophobicContact CG2-CD1 3.6Å; V113-L423 HydrophobicContact CG2-CD2 3.78Å; V113-L423 HydrophobicContact CG2-CG 4.35Å; V113-I430 HydrophobicContact CG2-CG1 4.38Å
114	F	91.6	Very high	81.9	Confident	38 Å²	38	38.2 Å²	38.2	17%	0.167	19%	0.191	C	C	.	.	I	π-helix	trans	-63.8	-57.8	-173.8	169.7	-105.5	0	0	0	112.9	T109 I110 C117 C118 L436 A437 M440	T109-F114 PolarHBondContact O-N 3.47Å; I110-F114 HydrophobicContact CG2-CD1 4.18Å; I110-F114 PolarHBondContact O-N 3.1Å; F114-C117 WeakPolarHBondContact O-CB 3.24Å; F114-C117 PolarHBondContact O-N 3.37Å; F114-C118 WeakPolarHBondContact CE2-SG 3.32Å; F114-C118 PolarHBondContact O-N 3.26Å; F114-C118 PolarHBondContact O-SG 2.82Å; F114-L436 HydrophobicContact CD2-CB 4.17Å; F114-L436 HydrophobicContact CD2-CD2 3.54Å; F114-L436 HydrophobicContact CD2-CG 4.3Å; F114-L436 HydrophobicContact CE2-CB 4.48Å; F114-L436 HydrophobicContact CE2-CD2 3.53Å; F114-L436 HydrophobicContact CE2-CG 4.24Å; F114-L436 HydrophobicContact CG-CD2 4.14Å; F114-L436 HydrophobicContact CZ-CD2 4.12Å; F114-A437 HydrophobicContact CD2-CB 3.75Å; F114-A437 HydrophobicContact CE2-CB 4.16Å; F114-M440 HydrophobicContact CE2-CB 4.45Å; F114-M440 HydrophobicContact CE2-CG 4.26Å; F114-M440 HydrophobicContact CZ-CG 4.43Å
115	L	87.5	Confident	83.8	Confident	28 Å²	28	32.3 Å²	32.3	15%	0.147	16%	0.159	C	C	.	.	H	α-helix	trans	-61.2	-42.4	-178.9	-67.6	179.1	0	0	0	112.9	Y80 I110 L111 C117 C118 Q119 L267	Y80-L115 HydrophobicContact CE2-CB 4.01Å; I110-L115 HydrophobicContact CG2-CD1 4.31Å; I110-L115 HydrophobicContact CG2-CG 4.2Å; I110-L115 WeakPolarHBondContact O-CG 3.42Å; I110-L115 PolarHBondContact O-N 3.23Å; L111-L115 HydrophobicContact CD1-CD1 4.06Å; L115-C117 VanDerWaalsContact C-N 3.33Å; L115-C117 PolarHBondContact O-N 3.34Å; L115-C118 PolarHBondContact O-N 3.23Å; L115-Q119 WeakPolarHBondContact O-CB 3.29Å; L115-Q119 PolarHBondContact O-N 2.86Å; L115-L267 HydrophobicContact CB-CD2 3.82Å; L115-L267 HydrophobicContact CD1-CD2 4.48Å; L115-L267 HydrophobicContact CD2-CD2 4.12Å; L115-L267 HydrophobicContact CG-CD2 4.35Å
116	P	83.1	Confident	85.4	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.006	13%	0.127	C	C	.	.	H	α-helix	trans	-63	-37	174	-26.3	38.6	0	0	0	113.6	Y80 L111 V113 N120 R419	Y80-P116 HydrophobicContact CE2-CG 3.99Å; Y80-P116 WeakPolarHBondContact OH-CA 3.37Å; L111-P116 WeakPolarHBondContact O-CD 3.23Å; V113-P116 WeakPolarHBondContact O-CD 3.47Å; P116-N120 PolarHBondContact O-N 3.49Å; P116-N120 PolarHBondContact O-ND2 3.05Å; P116-R419 VanDerWaalsContact CG-NH2 3.26Å
117	C	88.6	Confident	86.3	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65.6	-48.6	175.2	-166.7	0	0	0	0	110.5	V113 F114 L115 Q119 N120 I121 A437	V113-C117 WeakPolarHBondContact O-CB 3.42Å; V113-C117 PolarHBondContact O-N 2.99Å; F114-C117 WeakPolarHBondContact O-CB 3.24Å; F114-C117 PolarHBondContact O-N 3.37Å; L115-C117 VanDerWaalsContact C-N 3.33Å; L115-C117 PolarHBondContact O-N 3.34Å; C117-Q119 VanDerWaalsContact C-N 3.31Å; C117-Q119 PolarHBondContact O-N 3.26Å; C117-N120 PolarHBondContact O-N 3.2Å; C117-I121 VanDerWaalsContact O-CG1 3.32Å; C117-I121 WeakPolarHBondContact O-CG1 3.32Å; C117-I121 PolarHBondContact O-N 3.49Å; C117-I121 VanDerWaalsContact SG-CD1 3.58Å; C117-A437 HydrophobicContact CB-CB 3.59Å
118	C	88.6	Confident	87	Confident	5 Å²	5	16.3 Å²	16.3	3%	0.034	10%	0.095	C	C	.	.	H	α-helix	trans	-57.7	-41.7	175.3	-69.3	0	0	0	0	112.8	F114 L115 N120 I121 F122	F114-C118 WeakPolarHBondContact CE2-SG 3.32Å; F114-C118 PolarHBondContact O-N 3.26Å; F114-C118 PolarHBondContact O-SG 2.82Å; L115-C118 PolarHBondContact O-N 3.23Å; C118-N120 VanDerWaalsContact C-N 3.3Å; C118-N120 PolarHBondContact O-N 2.7Å; C118-I121 PolarHBondContact O-N 3.42Å; C118-F122 HydrophobicContact CB-CD2 4.25Å; C118-F122 HydrophobicContact CB-CE2 4.23Å; C118-F122 WeakPolarHBondContact O-CB 3.38Å; C118-F122 VanDerWaalsContact O-CD2 3.24Å; C118-F122 WeakPolarHBondContact O-CD2 3.29Å; C118-F122 PolarHBondContact O-N 3.48Å
119	Q	85.5	Confident	87.3	Confident	6 Å²	6	14.6 Å²	14.6	3%	0.028	8%	0.077	C	C	.	.	H	α-helix	trans	-61.1	-37.6	179.4	-173.9	173.6	-23.1	0	0	112.8	Y80 L115 C117 A263 S266 L267	Y80-Q119 PolarHBondContact OH-OE1 3.26Å; L115-Q119 WeakPolarHBondContact O-CB 3.29Å; L115-Q119 PolarHBondContact O-N 2.86Å; C117-Q119 VanDerWaalsContact C-N 3.31Å; C117-Q119 PolarHBondContact O-N 3.26Å; Q119-A263 PolarHBondContact NE2-O 3.21Å; Q119-A263 PolarHBondContact OE1-O 2.85Å; Q119-S266 PolarHBondContact NE2-OG 2.6Å; Q119-S266 VanDerWaalsContact NE2-OG 3.09Å; Q119-L267 HydrophobicContact CB-CD1 3.99Å; Q119-L267 HydrophobicContact CG-CB 4.4Å; Q119-L267 HydrophobicContact CG-CD1 4.48Å
120	N	84.7	Confident	87.3	Confident	16 Å²	16	13.1 Å²	13.1	9%	0.086	7%	0.068	C	C	.	.	H	α-helix	trans	-84.8	-26	-179	-72.6	-78.8	0	0	0	113.2	P116 C117 C118 A415 Q500	P116-N120 PolarHBondContact O-N 3.49Å; P116-N120 PolarHBondContact O-ND2 3.05Å; C117-N120 PolarHBondContact O-N 3.2Å; C118-N120 VanDerWaalsContact C-N 3.3Å; C118-N120 PolarHBondContact O-N 2.7Å; N120-A415 HydrophobicContact CB-CB 3.87Å; N120-A415 WeakPolarHBondContact ND2-CB 3.3Å; N120-Q500 VanDerWaalsContact ND2-CD 3.29Å; N120-Q500 PolarHBondContact ND2-NE2 3.42Å; N120-Q500 PolarHBondContact ND2-OE1 3.04Å; N120-Q500 PolarHBondContact OD1-OE1 3.04Å
121	I	89.8	Confident	87.5	Confident	2 Å²	2	8.2 Å²	8.2	1%	0.01	4%	0.044	C	C	.	.	H	α-helix	trans	-74.1	-48.4	175	-64.9	166.1	0	0	0	110	C117 C118 G123 S409 T411 I413 I438 T441 Y445	C117-I121 VanDerWaalsContact O-CG1 3.32Å; C117-I121 WeakPolarHBondContact O-CG1 3.32Å; C117-I121 PolarHBondContact O-N 3.49Å; C117-I121 VanDerWaalsContact SG-CD1 3.58Å; C118-I121 PolarHBondContact O-N 3.42Å; I121-G123 PolarHBondContact O-N 3.37Å; I121-S409 WeakPolarHBondContact CG2-O 3.42Å; I121-S409 VanDerWaalsContact O-O 3.05Å; I121-T411 WeakPolarHBondContact CA-O 3.44Å; I121-T411 VanDerWaalsContact CG1-O 3.31Å; I121-T411 WeakPolarHBondContact CG1-O 3.46Å; I121-I413 HydrophobicContact CD1-CG2 4.46Å; I121-I438 HydrophobicContact CD1-CG1 4.28Å; I121-T441 HydrophobicContact CB-CG2 3.95Å; I121-T441 HydrophobicContact CD1-CG2 4.09Å; I121-T441 HydrophobicContact CG2-CG2 3.61Å; I121-Y445 HydrophobicContact CG2-CE2 3.76Å; I121-Y445 PolarHBondContact O-OH 2.82Å; I121-Y445 VanDerWaalsContact O-OH 3.06Å
122	F	88.6	Confident	87.9	Confident	10 Å²	10	7.3 Å²	7.3	4%	0.044	4%	0.038	C	C	.	.	S	Bend	trans	-69.6	91.3	179.2	-69.2	-51.5	0	0	0	112.1	C118 L126 V270 L271 I274 T441 V444 Y445	C118-F122 HydrophobicContact CB-CD2 4.25Å; C118-F122 HydrophobicContact CB-CE2 4.23Å; C118-F122 WeakPolarHBondContact O-CB 3.38Å; C118-F122 VanDerWaalsContact O-CD2 3.24Å; C118-F122 WeakPolarHBondContact O-CD2 3.29Å; C118-F122 PolarHBondContact O-N 3.48Å; F122-L126 HydrophobicContact CD1-CD2 4.17Å; F122-V270 HydrophobicContact CB-CG1 3.6Å; F122-V270 HydrophobicContact CD2-CG1 3.98Å; F122-V270 HydrophobicContact CG-CG1 3.95Å; F122-L271 HydrophobicContact CE2-CD2 4.38Å; F122-I274 HydrophobicContact CD1-CD1 3.71Å; F122-I274 HydrophobicContact CD2-CD1 4.05Å; F122-I274 HydrophobicContact CE1-CD1 3.63Å; F122-I274 HydrophobicContact CE2-CD1 3.97Å; F122-I274 HydrophobicContact CG-CD1 3.93Å; F122-I274 HydrophobicContact CZ-CD1 3.76Å; F122-T441 HydrophobicContact CD1-CG2 4.39Å; F122-T441 HydrophobicContact CD2-CG2 4.45Å; F122-T441 HydrophobicContact CE1-CG2 3.89Å; F122-T441 HydrophobicContact CE2-CG2 3.97Å; F122-T441 HydrophobicContact CZ-CG2 3.67Å; F122-V444 HydrophobicContact CE1-CB 4.22Å; F122-V444 HydrophobicContact CE1-CG1 4.08Å; F122-V444 HydrophobicContact CE1-CG2 4.46Å; F122-V444 HydrophobicContact CZ-CG2 4.28Å; F122-Y445 HydrophobicContact CD1-CE1 4.42Å
123	G	80.9	Confident	88.6	Confident	5 Å²	5	7.3 Å²	7.3	5%	0.052	4%	0.039	C	C	.	.			trans	-105.7	-173.4	177.2	0	0	0	0	0	114.7	I121 L125	I121-G123 PolarHBondContact O-N 3.37Å; G123-L125 VanDerWaalsContact C-N 3.25Å; G123-L125 PolarHBondContact O-N 3.06Å
124	I	87.2	Confident	88.8	Confident	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-33.4	-178.6	-165.4	167.2	0	0	0	114.2	L126 F127 V128 G208 V212 T494 I553	I124-L126 PolarHBondContact O-N 3.35Å; I124-L126 VanDerWaalsContact O-N 3.13Å; I124-F127 PolarHBondContact O-N 3.05Å; I124-V128 HydrophobicContact CD1-CG2 3.93Å; I124-V128 HydrophobicContact CG1-CB 4.09Å; I124-V128 HydrophobicContact CG1-CG2 3.56Å; I124-V128 PolarHBondContact O-N 3.34Å; I124-G208 VanDerWaalsContact CD1-O 3.29Å; I124-G208 WeakPolarHBondContact CD1-O 3.39Å; I124-V212 HydrophobicContact CD1-CG2 4.14Å; I124-T494 HydrophobicContact CB-CG2 3.45Å; I124-T494 VanDerWaalsContact CB-CG2 3.45Å; I124-T494 HydrophobicContact CD1-CG2 3.88Å; I124-T494 HydrophobicContact CG1-CG2 3.74Å; I124-I553 HydrophobicContact CD1-CD1 4.45Å
125	L	89.8	Confident	88.8	Confident	4 Å²	4	5.9 Å²	5.9	2%	0.021	3%	0.034	C	C	.	.	H	α-helix	trans	-61.2	-29	-170.4	-66.1	176.1	0	0	0	112.2	G123 F127 R129 V130 P408 I553	G123-L125 VanDerWaalsContact C-N 3.25Å; G123-L125 PolarHBondContact O-N 3.06Å; L125-F127 PolarHBondContact O-N 2.95Å; L125-R129 HydrophobicContact CD2-CB 4.14Å; L125-R129 HydrophobicContact CD2-CG 3.72Å; L125-R129 PolarHBondContact O-N 3.24Å; L125-V130 PolarHBondContact O-N 3.31Å; L125-V130 VanDerWaalsContact O-N 3.16Å; L125-P408 HydrophobicContact CD1-CB 3.85Å; L125-P408 HydrophobicContact CD1-CG 4.16Å; L125-I553 HydrophobicContact CD2-CG2 4.22Å
126	L	89.4	Confident	89	Confident	9 Å²	9	4.6 Å²	4.6	5%	0.047	3%	0.027	C	C	.	.	H	α-helix	trans	-57.7	-47.2	173.9	179.7	54.4	0	0	0	112	F122 I124 V130 I274 V444 Y445	F122-L126 HydrophobicContact CD1-CD2 4.17Å; I124-L126 PolarHBondContact O-N 3.35Å; I124-L126 VanDerWaalsContact O-N 3.13Å; L126-V130 HydrophobicContact CD1-CG2 4.11Å; L126-I274 HydrophobicContact CD2-CD1 4.04Å; L126-I274 HydrophobicContact CD2-CG1 4.02Å; L126-V444 HydrophobicContact CD2-CG1 4.36Å; L126-Y445 HydrophobicContact CB-CE1 4.06Å; L126-Y445 HydrophobicContact CD1-CD1 3.89Å; L126-Y445 HydrophobicContact CD1-CE1 3.82Å; L126-Y445 HydrophobicContact CD2-CE1 4.08Å; L126-Y445 HydrophobicContact CG-CE1 4.18Å
127	F	89	Confident	89.4	Confident	4 Å²	4	4.5 Å²	4.5	2%	0.018	3%	0.027	C	C	.	.	H	α-helix	trans	-82.8	-34.7	-174.6	-58.3	-66.9	0	0	0	112.4	I124 L125 I274 L473 V475 I486	I124-F127 PolarHBondContact O-N 3.05Å; L125-F127 PolarHBondContact O-N 2.95Å; F127-I274 HydrophobicContact CE1-CG1 4.5Å; F127-I274 HydrophobicContact CZ-CG1 4.24Å; F127-L473 HydrophobicContact CB-CD2 4.23Å; F127-V475 HydrophobicContact CD1-CG1 4.22Å; F127-V475 WeakPolarHBondContact O-CG2 3.43Å; F127-I486 HydrophobicContact CD1-CG2 4.14Å
128	V	89.2	Confident	89.6	Confident	9 Å²	9	4.6 Å²	4.6	6%	0.055	3%	0.028	C	C	.	.	H	α-helix	trans	-101.5	-31.1	-167.2	174.4	0	0	0	0	113.9	I124 V212 L473	I124-V128 HydrophobicContact CD1-CG2 3.93Å; I124-V128 HydrophobicContact CG1-CB 4.09Å; I124-V128 HydrophobicContact CG1-CG2 3.56Å; I124-V128 PolarHBondContact O-N 3.34Å; V128-V212 HydrophobicContact CG2-CG2 3.96Å; V128-L473 HydrophobicContact CG2-CD1 4.08Å
129	R	91.1	Very high	89.8	Confident	1 Å²	1	4.4 Å²	4.4	0%	0.004	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-24.3	-171.2	-65	-61.4	-170.6	-105.6	-7.6	114.8	L125 G131 W132 I133 E211 D554	L125-R129 HydrophobicContact CD2-CB 4.14Å; L125-R129 HydrophobicContact CD2-CG 3.72Å; L125-R129 PolarHBondContact O-N 3.24Å; R129-G131 VanDerWaalsContact C-N 3.34Å; R129-G131 PolarHBondContact O-N 2.84Å; R129-W132 PolarHBondContact O-N 2.92Å; R129-I133 HydrophobicContact CB-CD1 4.19Å; R129-I133 VanDerWaalsContact O-CG1 3.27Å; R129-I133 WeakPolarHBondContact O-CG1 3.43Å; R129-I133 PolarHBondContact O-N 3.38Å; R129-E211 IonicContact CZ-OE1 3.27Å; R129-E211 IonicContact NH1-OE1 2.62Å; R129-E211 PolarHBondContact NH1-OE1 2.85Å; R129-E211 IonicContact NH2-OE1 3.96Å; R129-E211 PolarHBondContact NH2-OE1 2.79Å; R129-E211 IonicContact NH2-OE2 2.67Å; R129-E211 PolarHBondContact NH2-OE2 2.78Å; R129-D554 IonicContact CZ-OD1 3.52Å; R129-D554 IonicContact NE-OD1 2.83Å; R129-D554 PolarHBondContact NE-OD1 2.96Å; R129-D554 IonicContact NH2-OD1 3.22Å; R129-D554 PolarHBondContact NH2-OD1 2.85Å; R129-D554 VanDerWaalsContact NH2-OD1 3.14Å; R129-D554 IonicContact NH2-OD2 2.67Å; R129-D554 PolarHBondContact NH2-OD2 3.23Å
130	V	91.2	Very high	90.2	Very high	3 Å²	3	8.7 Å²	8.7	2%	0.018	5%	0.045	C	C	.	.	H	α-helix	trans	-57.9	-44.2	-178	173.8	0	0	0	0	112.6	L125 L126 T134 Y406 P449 F452	L125-V130 PolarHBondContact O-N 3.31Å; L125-V130 VanDerWaalsContact O-N 3.16Å; L126-V130 HydrophobicContact CD1-CG2 4.11Å; V130-T134 WeakPolarHBondContact O-CB 3.27Å; V130-T134 PolarHBondContact O-N 3.02Å; V130-T134 PolarHBondContact O-OG1 3.26Å; V130-Y406 HydrophobicContact CG2-CE2 4.08Å; V130-P449 HydrophobicContact CG1-CG 4.14Å; V130-F452 HydrophobicContact CB-CE2 4.25Å; V130-F452 HydrophobicContact CG1-CD2 3.96Å; V130-F452 HydrophobicContact CG1-CE2 3.81Å
131	G	90.7	Very high	90.6	Very high	4 Å²	4	10.2 Å²	10.2	4%	0.041	5%	0.051	C	C	.	.	H	α-helix	trans	-59.1	-49.3	177.4	0	0	0	0	0	112.7	R129 T134 G135 M461	R129-G131 VanDerWaalsContact C-N 3.34Å; R129-G131 PolarHBondContact O-N 2.84Å; G131-T134 PolarHBondContact O-N 2.86Å; G131-G135 PolarHBondContact O-N 3Å; G131-M461 WeakPolarHBondContact O-CE 3.3Å
132	W	91.9	Very high	90.8	Very high	8 Å²	8	10.2 Å²	10.2	3%	0.03	5%	0.051	C	C	.	.	H	α-helix	trans	-62.7	-46.6	178.5	174.6	68.3	0	0	0	113.3	R129 T134 G135 V136 Y375 L402 I405 M461 K464	R129-W132 PolarHBondContact O-N 2.92Å; W132-T134 VanDerWaalsContact C-N 3.25Å; W132-T134 PolarHBondContact O-N 2.95Å; W132-G135 PolarHBondContact O-N 3.47Å; W132-G135 VanDerWaalsContact O-N 3.16Å; W132-V136 HydrophobicContact CZ2-CG2 4.5Å; W132-V136 WeakPolarHBondContact O-CG2 3.38Å; W132-V136 PolarHBondContact O-N 3.44Å; W132-Y375 PolarHBondContact NE1-OH 3.37Å; W132-L402 HydrophobicContact CH2-CD2 3.86Å; W132-L402 HydrophobicContact CZ3-CD2 3.86Å; W132-I405 HydrophobicContact CH2-CD1 4.43Å; W132-I405 HydrophobicContact CZ3-CD1 4.34Å; W132-M461 VanDerWaalsContact CA-O 3.3Å; W132-M461 WeakPolarHBondContact CA-O 3.43Å; W132-K464 HydrophobicContact CG-CB 4.28Å; W132-K464 HydrophobicContact CG-CG 4.44Å
133	I	93	Very high	91.1	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-58.4	-42.9	176.6	-66.1	168.5	0	0	0	110	R129 V136 A137 T142 L402 I405 Y406	R129-I133 HydrophobicContact CB-CD1 4.19Å; R129-I133 VanDerWaalsContact O-CG1 3.27Å; R129-I133 WeakPolarHBondContact O-CG1 3.43Å; R129-I133 PolarHBondContact O-N 3.38Å; I133-V136 PolarHBondContact O-N 3.21Å; I133-A137 WeakPolarHBondContact O-CB 3.38Å; I133-A137 PolarHBondContact O-N 2.83Å; I133-T142 HydrophobicContact CG2-CG2 3.86Å; I133-T142 PolarHBondContact O-OG1 3.46Å; I133-L402 HydrophobicContact CG1-CD2 4.36Å; I133-L402 HydrophobicContact CG2-CB 4.42Å; I133-L402 HydrophobicContact CG2-CD1 4.26Å; I133-I405 HydrophobicContact CD1-CG2 4.37Å; I133-Y406 HydrophobicContact CD1-CD2 3.95Å
134	T	93.4	Very high	91.7	Very high	4 Å²	4	15.8 Å²	15.8	3%	0.025	8%	0.077	C	C	.	.	H	α-helix	trans	-65	-39.1	178.4	-50.9	0	0	0	0	112.1	V130 G131 W132 G138 A139 T142 P449 A453 M461	V130-T134 WeakPolarHBondContact O-CB 3.27Å; V130-T134 PolarHBondContact O-N 3.02Å; V130-T134 PolarHBondContact O-OG1 3.26Å; G131-T134 PolarHBondContact O-N 2.86Å; W132-T134 VanDerWaalsContact C-N 3.25Å; W132-T134 PolarHBondContact O-N 2.95Å; T134-G138 CarbonylContact O-C 3.51Å; T134-G138 WeakPolarHBondContact O-CA 3.3Å; T134-G138 PolarHBondContact O-N 2.86Å; T134-A139 HydrophobicContact CG2-CB 4.48Å; T134-T142 WeakPolarHBondContact CA-OG1 3.43Å; T134-P449 HydrophobicContact CG2-CB 4.14Å; T134-P449 WeakPolarHBondContact CG2-O 3.21Å; T134-A453 HydrophobicContact CG2-CB 4.16Å; T134-M461 VanDerWaalsContact CB-CE 3.42Å; T134-M461 HydrophobicContact CG2-CE 3.43Å; T134-M461 VanDerWaalsContact CG2-CE 3.43Å
135	G	91.3	Very high	92	Very high	4 Å²	4	15.8 Å²	15.8	4%	0.041	8%	0.077	C	C	.	.	H	α-helix	trans	-68.7	-32.8	177	0	0	0	0	0	114.1	G131 W132 R462	G131-G135 PolarHBondContact O-N 3Å; W132-G135 PolarHBondContact O-N 3.47Å; W132-G135 VanDerWaalsContact O-N 3.16Å; G135-R462 VanDerWaalsContact O-CG 3.26Å; G135-R462 WeakPolarHBondContact O-CG 3.22Å; G135-R462 PolarHBondContact O-NE 3.23Å
136	V	92.3	Very high	92.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-84.3	-47.2	-179.4	176.1	0	0	0	0	112.1	W132 I133 S366 H367 Y368 Y375 L402 R462	W132-V136 HydrophobicContact CZ2-CG2 4.5Å; W132-V136 WeakPolarHBondContact O-CG2 3.38Å; W132-V136 PolarHBondContact O-N 3.44Å; I133-V136 PolarHBondContact O-N 3.21Å; V136-S366 CarbonylContact O-C 3.58Å; V136-S366 WeakPolarHBondContact O-CA 3.39Å; V136-H367 PolarHBondContact O-N 2.96Å; V136-Y368 HydrophobicContact CG1-CD1 4.04Å; V136-Y368 HydrophobicContact CG1-CE1 4.25Å; V136-Y375 HydrophobicContact CG2-CE1 3.9Å; V136-L402 HydrophobicContact CB-CD1 4.36Å; V136-L402 HydrophobicContact CG1-CD1 4.09Å; V136-R462 HydrophobicContact CG2-CG 4.44Å
137	A	92.1	Very high	92.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-87.4	-19	-175.9	0	0	0	0	0	113.6	I133 Q141 S366 Y368 L402	I133-A137 WeakPolarHBondContact O-CB 3.38Å; I133-A137 PolarHBondContact O-N 2.83Å; A137-Q141 HydrophobicContact CB-CB 4.04Å; A137-Q141 WeakPolarHBondContact O-CB 3.38Å; A137-Q141 WeakPolarHBondContact O-CG 3.44Å; A137-S366 WeakPolarHBondContact O-CB 3.48Å; A137-Y368 HydrophobicContact CB-CE1 4.38Å; A137-Y368 WeakPolarHBondContact CB-OH 3.3Å; A137-L402 HydrophobicContact CB-CD1 3.88Å
138	G	92.9	Very high	92.7	Very high	2 Å²	2	21 Å²	21	2%	0.021	11%	0.105	C	C	.	.			trans	83.6	163.6	-166.2	0	0	0	0	0	112.1	T134 F140 T142 N362 E365	T134-G138 CarbonylContact O-C 3.51Å; T134-G138 WeakPolarHBondContact O-CA 3.3Å; T134-G138 PolarHBondContact O-N 2.86Å; G138-F140 PolarHBondContact O-N 3.37Å; G138-T142 WeakPolarHBondContact O-CB 3.14Å; G138-T142 PolarHBondContact O-N 3.43Å; G138-T142 VanDerWaalsContact O-N 3.12Å; G138-T142 PolarHBondContact O-OG1 2.72Å; G138-N362 WeakPolarHBondContact CA-O 3.36Å; G138-E365 WeakPolarHBondContact CA-O 3.43Å
139	A	92.5	Very high	92.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64.3	-42	-175.9	0	0	0	0	0	112.5	T134 F143 N362 F363 L450 A453	T134-A139 HydrophobicContact CG2-CB 4.48Å; A139-F143 WeakPolarHBondContact O-CB 3.15Å; A139-F143 PolarHBondContact O-N 3.34Å; A139-N362 PolarHBondContact N-O 3.46Å; A139-F363 HydrophobicContact CB-CD2 4.02Å; A139-F363 PolarHBondContact N-O 2.79Å; A139-L450 HydrophobicContact CB-CD2 4.39Å; A139-A453 HydrophobicContact CB-CB 3.59Å
140	F	93.5	Very high	93	Very high	97 Å²	97	21 Å²	21	43%	0.425	11%	0.105	S	C	.	.	H	α-helix	trans	-66.2	-48.9	-177.3	178.5	-105.1	0	0	0	112.7	G138 T142 F143 L144 F363 F364	G138-F140 PolarHBondContact O-N 3.37Å; F140-T142 VanDerWaalsContact C-N 3.33Å; F140-T142 PolarHBondContact O-N 2.59Å; F140-F143 WeakPolarHBondContact O-CB 3.02Å; F140-F143 PolarHBondContact O-N 3.01Å; F140-L144 PolarHBondContact O-N 3.2Å; F140-F363 HydrophobicContact CB-CD1 4.09Å; F140-F363 HydrophobicContact CB-CE1 3.79Å; F140-F363 HydrophobicContact CB-CZ 4.05Å; F140-F363 VanDerWaalsContact CB-O 3.31Å; F140-F363 WeakPolarHBondContact CB-O 3.49Å; F140-F363 AromaticContact CD2-CE1 3.95Å; F140-F363 HydrophobicContact CD2-CE1 3.95Å; F140-F363 AromaticContact CD2-CZ 3.99Å; F140-F363 HydrophobicContact CD2-CZ 3.99Å; F140-F363 HydrophobicContact CG-CE1 4.16Å; F140-F363 HydrophobicContact CG-CZ 4.46Å; F140-F363 PolarHBondContact N-O 3.1Å; F140-F364 HydrophobicContact CD1-CE1 4.43Å; F140-F364 HydrophobicContact CG-CE1 4.36Å
141	Q	93.9	Very high	93.2	Very high	48 Å²	48	23 Å²	23	22%	0.224	12%	0.119	C	C	.	.	H	α-helix	trans	-67.4	-37.3	179.8	-61.8	-172.2	14.4	0	0	111.2	A137 L144 I145 Y368 F399	A137-Q141 HydrophobicContact CB-CB 4.04Å; A137-Q141 WeakPolarHBondContact O-CB 3.38Å; A137-Q141 WeakPolarHBondContact O-CG 3.44Å; Q141-L144 WeakPolarHBondContact O-CB 3.29Å; Q141-L144 PolarHBondContact O-N 2.78Å; Q141-I145 WeakPolarHBondContact O-CG1 3.47Å; Q141-I145 PolarHBondContact O-N 2.95Å; Q141-Y368 VanDerWaalsContact OE1-CE2 3.27Å; Q141-Y368 VanDerWaalsContact OE1-CZ 3.31Å; Q141-Y368 PolarHBondContact OE1-OH 3.3Å; Q141-F399 HydrophobicContact CB-CD2 4.26Å; Q141-F399 HydrophobicContact CB-CE2 4.24Å
142	T	93.9	Very high	93.4	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.006	12%	0.117	C	C	.	.	H	α-helix	trans	-62.6	-44.6	174.7	-56.5	0	0	0	0	111.2	I133 T134 G138 F140 L144 I145 V146 P449	I133-T142 HydrophobicContact CG2-CG2 3.86Å; I133-T142 PolarHBondContact O-OG1 3.46Å; T134-T142 WeakPolarHBondContact CA-OG1 3.43Å; G138-T142 WeakPolarHBondContact O-CB 3.14Å; G138-T142 PolarHBondContact O-N 3.43Å; G138-T142 VanDerWaalsContact O-N 3.12Å; G138-T142 PolarHBondContact O-OG1 2.72Å; F140-T142 VanDerWaalsContact C-N 3.33Å; F140-T142 PolarHBondContact O-N 2.59Å; T142-L144 VanDerWaalsContact C-N 3.28Å; T142-L144 PolarHBondContact O-N 3.28Å; T142-I145 WeakPolarHBondContact O-CB 3.18Å; T142-I145 PolarHBondContact O-N 3.43Å; T142-I145 VanDerWaalsContact O-N 3.14Å; T142-V146 HydrophobicContact CG2-CG2 4.43Å; T142-V146 VanDerWaalsContact O-CG2 3.29Å; T142-V146 WeakPolarHBondContact O-CG2 3.36Å; T142-V146 PolarHBondContact O-N 2.94Å; T142-P449 HydrophobicContact CG2-CB 3.8Å; T142-P449 HydrophobicContact CG2-CG 3.77Å
143	F	94	Very high	93.6	Very high	65 Å²	65	22.6 Å²	22.6	29%	0.285	12%	0.117	S	C	.	.	H	α-helix	trans	-55.9	-42.9	174.3	-179.5	-88.6	0	0	0	111.9	A139 F140 V146 L147 L446 L450	A139-F143 WeakPolarHBondContact O-CB 3.15Å; A139-F143 PolarHBondContact O-N 3.34Å; F140-F143 WeakPolarHBondContact O-CB 3.02Å; F140-F143 PolarHBondContact O-N 3.01Å; F143-V146 PolarHBondContact O-N 3.02Å; F143-L147 HydrophobicContact CE1-CD2 4.36Å; F143-L147 WeakPolarHBondContact O-CB 3.16Å; F143-L147 PolarHBondContact O-N 3.5Å; F143-L446 HydrophobicContact CD2-CB 4.44Å; F143-L446 HydrophobicContact CD2-CD2 3.89Å; F143-L446 HydrophobicContact CE2-CB 4.02Å; F143-L446 HydrophobicContact CE2-CD2 3.68Å; F143-L446 HydrophobicContact CE2-CG 4.35Å; F143-L446 HydrophobicContact CG-CD2 4.44Å; F143-L446 HydrophobicContact CZ-CD2 4.05Å; F143-L450 HydrophobicContact CD2-CD1 4.02Å; F143-L450 HydrophobicContact CD2-CD2 4.47Å; F143-L450 HydrophobicContact CD2-CG 4.27Å; F143-L450 HydrophobicContact CE2-CD1 4.19Å
144	L	93.3	Very high	93.7	Very high	67 Å²	67	24.9 Å²	24.9	35%	0.351	13%	0.128	S	C	.	.	H	α-helix	trans	-64.3	-42.2	176	-175.6	64.6	0	0	0	112.5	F140 Q141 T142 V146 L147 L148 F399	F140-L144 PolarHBondContact O-N 3.2Å; Q141-L144 WeakPolarHBondContact O-CB 3.29Å; Q141-L144 PolarHBondContact O-N 2.78Å; T142-L144 VanDerWaalsContact C-N 3.28Å; T142-L144 PolarHBondContact O-N 3.28Å; L144-V146 VanDerWaalsContact C-N 3.34Å; L144-V146 PolarHBondContact O-N 3.38Å; L144-L147 PolarHBondContact O-N 3.29Å; L144-L148 HydrophobicContact CD1-CD1 4.5Å; L144-L148 HydrophobicContact CD1-CG 4.41Å; L144-L148 HydrophobicContact CG-CD1 4.21Å; L144-L148 WeakPolarHBondContact O-CG 3.31Å; L144-L148 PolarHBondContact O-N 3.02Å; L144-F399 HydrophobicContact CD2-CE2 4.35Å; L144-F399 HydrophobicContact CD2-CZ 4.07Å; L144-F399 HydrophobicContact CG-CZ 4.38Å
145	I	93.5	Very high	93.8	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-57.3	-49	174.8	-70	167.9	0	0	0	110.1	Q141 T142 L148 C149 F399 L402 L403 Y406	Q141-I145 WeakPolarHBondContact O-CG1 3.47Å; Q141-I145 PolarHBondContact O-N 2.95Å; T142-I145 WeakPolarHBondContact O-CB 3.18Å; T142-I145 PolarHBondContact O-N 3.43Å; T142-I145 VanDerWaalsContact O-N 3.14Å; I145-L148 PolarHBondContact O-N 3.34Å; I145-C149 PolarHBondContact O-N 3.23Å; I145-C149 VanDerWaalsContact O-N 3.13Å; I145-C149 PolarHBondContact O-SG 3.34Å; I145-F399 HydrophobicContact CD1-CD2 3.99Å; I145-F399 HydrophobicContact CD1-CE2 3.93Å; I145-F399 HydrophobicContact CG1-CD2 4.04Å; I145-F399 HydrophobicContact CG1-CE1 4.49Å; I145-F399 HydrophobicContact CG1-CE2 3.47Å; I145-F399 VanDerWaalsContact CG1-CE2 3.47Å; I145-F399 HydrophobicContact CG1-CZ 3.73Å; I145-L402 HydrophobicContact CD1-CB 4.07Å; I145-L403 HydrophobicContact CG1-CB 4.46Å; I145-L403 HydrophobicContact CG2-CB 4.17Å; I145-L403 HydrophobicContact CG2-CG 4.3Å; I145-Y406 HydrophobicContact CG2-CD1 4.06Å; I145-Y406 HydrophobicContact CG2-CG 4.03Å
146	V	94.1	Very high	94	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.1	-45.4	179	179.4	0	0	0	0	111	T142 F143 L144 L148 C149 C150 Y406 L446 P449	T142-V146 HydrophobicContact CG2-CG2 4.43Å; T142-V146 VanDerWaalsContact O-CG2 3.29Å; T142-V146 WeakPolarHBondContact O-CG2 3.36Å; T142-V146 PolarHBondContact O-N 2.94Å; F143-V146 PolarHBondContact O-N 3.02Å; L144-V146 VanDerWaalsContact C-N 3.34Å; L144-V146 PolarHBondContact O-N 3.38Å; V146-L148 PolarHBondContact O-N 2.77Å; V146-C149 PolarHBondContact O-N 2.86Å; V146-C150 WeakPolarHBondContact O-CB 3.24Å; V146-C150 PolarHBondContact O-N 3.11Å; V146-C150 PolarHBondContact O-SG 3.24Å; V146-Y406 HydrophobicContact CB-CE1 4.04Å; V146-Y406 HydrophobicContact CG1-CE1 4.09Å; V146-Y406 HydrophobicContact CG2-CD1 4.38Å; V146-Y406 HydrophobicContact CG2-CE1 3.65Å; V146-Y406 HydrophobicContact CG2-CE2 3.92Å; V146-Y406 WeakPolarHBondContact CG2-OH 3.44Å; V146-L446 HydrophobicContact CB-CD2 3.93Å; V146-L446 HydrophobicContact CG1-CD2 3.62Å; V146-L446 HydrophobicContact CG1-CG 3.92Å; V146-P449 HydrophobicContact CG2-CG 4.35Å
147	L	94.3	Very high	94.1	Very high	70 Å²	70	25.8 Å²	25.8	37%	0.366	13%	0.131	S	C	.	.	H	α-helix	trans	-61.3	-43.8	-179	-176	67.7	0	0	0	112.1	F143 L144 C150 S151 L446	F143-L147 HydrophobicContact CE1-CD2 4.36Å; F143-L147 WeakPolarHBondContact O-CB 3.16Å; F143-L147 PolarHBondContact O-N 3.5Å; L144-L147 PolarHBondContact O-N 3.29Å; L147-C150 PolarHBondContact O-N 2.85Å; L147-S151 WeakPolarHBondContact O-CB 3.34Å; L147-S151 PolarHBondContact O-N 3.32Å; L147-S151 PolarHBondContact O-OG 2.98Å; L147-L446 HydrophobicContact CB-CD2 4.18Å
148	L	93.6	Very high	94.3	Very high	58 Å²	58	27.1 Å²	27.1	30%	0.304	14%	0.139	S	C	.	.	H	α-helix	trans	-63.2	-44.2	177.1	-72.4	172.1	0	0	0	111.5	L144 I145 V146 S151 C152 L403	L144-L148 HydrophobicContact CD1-CD1 4.5Å; L144-L148 HydrophobicContact CD1-CG 4.41Å; L144-L148 HydrophobicContact CG-CD1 4.21Å; L144-L148 WeakPolarHBondContact O-CG 3.31Å; L144-L148 PolarHBondContact O-N 3.02Å; I145-L148 PolarHBondContact O-N 3.34Å; V146-L148 PolarHBondContact O-N 2.77Å; L148-S151 PolarHBondContact O-N 2.64Å; L148-C152 PolarHBondContact O-N 2.74Å; L148-C152 VanDerWaalsContact O-N 3.11Å; L148-L403 HydrophobicContact CD1-CD1 4.32Å
149	C	93.8	Very high	94.4	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.2	-41.8	177.8	-65.2	0	0	0	0	112.1	I145 V146 C152 T153 Y406 F407 V410	I145-C149 PolarHBondContact O-N 3.23Å; I145-C149 VanDerWaalsContact O-N 3.13Å; I145-C149 PolarHBondContact O-SG 3.34Å; V146-C149 PolarHBondContact O-N 2.86Å; C149-C152 WeakPolarHBondContact O-CB 3.3Å; C149-C152 PolarHBondContact O-N 3.06Å; C149-T153 PolarHBondContact O-N 3.48Å; C149-T153 PolarHBondContact O-OG1 3Å; C149-Y406 HydrophobicContact CB-CD1 4.21Å; C149-Y406 HydrophobicContact CB-CE1 4.38Å; C149-F407 HydrophobicContact CB-CD2 4.24Å; C149-V410 HydrophobicContact CB-CG1 4.17Å; C149-V410 HydrophobicContact CB-CG2 3.79Å
150	C	94.4	Very high	94.4	Very high	9 Å²	9	27.6 Å²	27.6	6%	0.061	14%	0.14	C	C	.	.	H	α-helix	trans	-67.7	-37.3	176.7	-67.2	0	0	0	0	112.2	V146 L147 T153 M154 S442	V146-C150 WeakPolarHBondContact O-CB 3.24Å; V146-C150 PolarHBondContact O-N 3.11Å; V146-C150 PolarHBondContact O-SG 3.24Å; L147-C150 PolarHBondContact O-N 2.85Å; C150-T153 WeakPolarHBondContact CA-OG1 3.4Å; C150-T153 PolarHBondContact O-N 3.49Å; C150-T153 PolarHBondContact O-OG1 3.5Å; C150-M154 WeakPolarHBondContact O-CB 3.24Å; C150-M154 PolarHBondContact O-N 2.86Å; C150-S442 WeakPolarHBondContact CB-OG 3.47Å; C150-S442 PolarHBondContact SG-OG 3.4Å
151	S	94.6	Very high	94.4	Very high	46 Å²	46	23.1 Å²	23.1	32%	0.322	12%	0.121	S	C	.	.	H	α-helix	trans	-64.4	-41.6	176.6	-59	0	0	0	0	111.6	L147 L148 T153 M154 L155	L147-S151 WeakPolarHBondContact O-CB 3.34Å; L147-S151 PolarHBondContact O-N 3.32Å; L147-S151 PolarHBondContact O-OG 2.98Å; L148-S151 PolarHBondContact O-N 2.64Å; S151-T153 PolarHBondContact O-N 3.16Å; S151-M154 PolarHBondContact O-N 3.22Å; S151-L155 WeakPolarHBondContact O-CG 3.48Å; S151-L155 PolarHBondContact O-N 3.14Å
152	C	95.2	Very high	94.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-54.8	-50	174.6	-171.6	0	0	0	0	112.4	L148 C149 T156 F407 L604 L608	L148-C152 PolarHBondContact O-N 2.74Å; L148-C152 VanDerWaalsContact O-N 3.11Å; C149-C152 WeakPolarHBondContact O-CB 3.3Å; C149-C152 PolarHBondContact O-N 3.06Å; C152-T156 PolarHBondContact O-N 2.87Å; C152-T156 VanDerWaalsContact O-N 3.13Å; C152-T156 PolarHBondContact O-OG1 3.4Å; C152-F407 HydrophobicContact CB-CE2 4.39Å; C152-L604 HydrophobicContact CB-CD2 3.36Å; C152-L608 HydrophobicContact CB-CD1 4.29Å
153	T	95	Very high	94.3	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.012	11%	0.11	C	C	.	.	H	α-helix	trans	-74	-35.4	-175.7	51.1	0	0	0	0	111.8	C149 C150 S151 T156 A157 V410 Y568	C149-T153 PolarHBondContact O-N 3.48Å; C149-T153 PolarHBondContact O-OG1 3Å; C150-T153 WeakPolarHBondContact CA-OG1 3.4Å; C150-T153 PolarHBondContact O-N 3.49Å; C150-T153 PolarHBondContact O-OG1 3.5Å; S151-T153 PolarHBondContact O-N 3.16Å; T153-T156 PolarHBondContact O-N 3.41Å; T153-A157 WeakPolarHBondContact O-CB 3.41Å; T153-A157 PolarHBondContact O-N 3.33Å; T153-V410 HydrophobicContact CG2-CB 3.98Å; T153-V410 HydrophobicContact CG2-CG2 3.67Å; T153-V410 WeakPolarHBondContact CG2-O 3.37Å; T153-Y568 HydrophobicContact CG2-CE2 4.16Å
154	M	95.4	Very high	94.2	Very high	50 Å²	50	17.7 Å²	17.7	25%	0.246	10%	0.096	C	C	.	.	H	α-helix	trans	-62.1	-48.5	173.2	-175.3	59.3	72.2	0	0	112.1	C150 S151 T156 A157 L158 I435 I438	C150-M154 WeakPolarHBondContact O-CB 3.24Å; C150-M154 PolarHBondContact O-N 2.86Å; S151-M154 PolarHBondContact O-N 3.22Å; M154-T156 VanDerWaalsContact C-N 3.28Å; M154-T156 PolarHBondContact O-N 3.32Å; M154-A157 WeakPolarHBondContact O-CB 3.39Å; M154-A157 PolarHBondContact O-N 2.95Å; M154-A157 VanDerWaalsContact O-N 3.13Å; M154-L158 WeakPolarHBondContact O-CG 3.24Å; M154-L158 PolarHBondContact O-N 3.36Å; M154-I435 HydrophobicContact SD-CG2 4.38Å; M154-I438 HydrophobicContact CE-CB 4.18Å; M154-I438 HydrophobicContact CE-CG2 3.68Å
155	L	96.3	Very high	94.1	Very high	26 Å²	26	15 Å²	15	14%	0.136	8%	0.083	C	C	.	.	H	α-helix	trans	-60.5	-40.6	176.9	-70.8	170.6	0	0	0	111.4	S151 A157 L158 S159 L597 V600	S151-L155 WeakPolarHBondContact O-CG 3.48Å; S151-L155 PolarHBondContact O-N 3.14Å; L155-A157 VanDerWaalsContact C-N 3.34Å; L155-A157 PolarHBondContact O-N 3.47Å; L155-L158 PolarHBondContact O-N 2.86Å; L155-S159 PolarHBondContact O-N 3.38Å; L155-S159 VanDerWaalsContact O-N 3.16Å; L155-S159 PolarHBondContact O-OG 3.44Å; L155-L597 HydrophobicContact CD2-CB 4.34Å; L155-L597 HydrophobicContact CD2-CD2 4.12Å; L155-V600 HydrophobicContact CD1-CB 4.46Å; L155-V600 HydrophobicContact CD1-CG1 3.92Å
156	T	95.6	Very high	93.9	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-66.8	-35.4	176.3	-51.9	0	0	0	0	112	C152 T153 M154 L158 S159 M160 I413 Y568 V571 N572	C152-T156 PolarHBondContact O-N 2.87Å; C152-T156 VanDerWaalsContact O-N 3.13Å; C152-T156 PolarHBondContact O-OG1 3.4Å; T153-T156 PolarHBondContact O-N 3.41Å; M154-T156 VanDerWaalsContact C-N 3.28Å; M154-T156 PolarHBondContact O-N 3.32Å; T156-L158 VanDerWaalsContact C-N 3.35Å; T156-S159 WeakPolarHBondContact O-CB 3.31Å; T156-S159 PolarHBondContact O-N 2.91Å; T156-M160 WeakPolarHBondContact O-CB 3.44Å; T156-M160 WeakPolarHBondContact O-CG 3.5Å; T156-M160 PolarHBondContact O-N 3.26Å; T156-I413 HydrophobicContact CG2-CD1 3.94Å; T156-Y568 HydrophobicContact CG2-CD1 3.83Å; T156-Y568 HydrophobicContact CG2-CG 3.83Å; T156-V571 HydrophobicContact CG2-CG1 4.32Å; T156-N572 PolarHBondContact OG1-ND2 3.38Å
157	A	95.1	Very high	93.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67.2	-33.3	175.4	0	0	0	0	0	112.9	T153 M154 L155 M160 S161 T434 I438	T153-A157 WeakPolarHBondContact O-CB 3.41Å; T153-A157 PolarHBondContact O-N 3.33Å; M154-A157 WeakPolarHBondContact O-CB 3.39Å; M154-A157 PolarHBondContact O-N 2.95Å; M154-A157 VanDerWaalsContact O-N 3.13Å; L155-A157 VanDerWaalsContact C-N 3.34Å; L155-A157 PolarHBondContact O-N 3.47Å; A157-M160 PolarHBondContact O-N 3.46Å; A157-S161 WeakPolarHBondContact O-CB 3.25Å; A157-S161 PolarHBondContact O-N 3.15Å; A157-S161 PolarHBondContact O-OG 3.28Å; A157-T434 HydrophobicContact CB-CG2 4.21Å; A157-I438 HydrophobicContact CB-CD1 3.33Å
158	L	95.3	Very high	92.6	Very high	29 Å²	29	23.9 Å²	23.9	15%	0.152	13%	0.132	C	C	.	.	H	α-helix	trans	-65.6	-43.5	171.4	-63.5	174.4	0	0	0	111.1	M154 L155 T156 S161 A162 I435 F590 F592 L597	M154-L158 WeakPolarHBondContact O-CG 3.24Å; M154-L158 PolarHBondContact O-N 3.36Å; L155-L158 PolarHBondContact O-N 2.86Å; T156-L158 VanDerWaalsContact C-N 3.35Å; L158-S161 WeakPolarHBondContact O-CB 3.43Å; L158-S161 PolarHBondContact O-N 3.38Å; L158-A162 PolarHBondContact O-N 3.13Å; L158-I435 HydrophobicContact CD2-CD1 4.08Å; L158-F590 HydrophobicContact CD2-CE1 3.81Å; L158-F590 HydrophobicContact CD2-CZ 4.27Å; L158-F592 HydrophobicContact CD2-CB 4.48Å; L158-L597 HydrophobicContact CD1-CD1 4.37Å
159	S	95	Very high	91.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.2	-45.2	173.6	-59	0	0	0	0	111.6	L155 T156 S161 A162 I163 N572 T575 S598	L155-S159 PolarHBondContact O-N 3.38Å; L155-S159 VanDerWaalsContact O-N 3.16Å; L155-S159 PolarHBondContact O-OG 3.44Å; T156-S159 WeakPolarHBondContact O-CB 3.31Å; T156-S159 PolarHBondContact O-N 2.91Å; S159-S161 VanDerWaalsContact C-N 3.3Å; S159-S161 PolarHBondContact O-N 3.03Å; S159-A162 WeakPolarHBondContact O-CB 3.44Å; S159-A162 PolarHBondContact O-N 2.94Å; S159-A162 VanDerWaalsContact O-N 3.16Å; S159-I163 WeakPolarHBondContact O-CG1 3.37Å; S159-I163 PolarHBondContact O-N 3.35Å; S159-I163 VanDerWaalsContact O-N 3.09Å; S159-N572 VanDerWaalsContact CB-OD1 3.26Å; S159-N572 WeakPolarHBondContact CB-OD1 3.43Å; S159-N572 PolarHBondContact OG-OD1 3.02Å; S159-T575 PolarHBondContact OG-OG1 3.2Å; S159-S598 PolarHBondContact OG-OG 3.16Å
160	M	92.4	Very high	90.9	Very high	12 Å²	12	23.7 Å²	23.7	6%	0.059	13%	0.134	C	C	.	.	H	α-helix	trans	-62.2	-35.7	174.8	-75.8	-64.3	-69.8	0	0	112.8	T156 A157 A162 I163 A164 M177 I178 M414 V571	T156-M160 WeakPolarHBondContact O-CB 3.44Å; T156-M160 WeakPolarHBondContact O-CG 3.5Å; T156-M160 PolarHBondContact O-N 3.26Å; A157-M160 PolarHBondContact O-N 3.46Å; M160-A162 VanDerWaalsContact C-N 3.33Å; M160-I163 WeakPolarHBondContact O-CB 3.25Å; M160-I163 PolarHBondContact O-N 3.42Å; M160-I163 HydrophobicContact SD-CD1 3.94Å; M160-A164 WeakPolarHBondContact O-CB 3.21Å; M160-A164 PolarHBondContact O-N 3Å; M160-M177 HydrophobicContact CE-CE 3.4Å; M160-M177 VanDerWaalsContact CE-CE 3.4Å; M160-I178 HydrophobicContact CE-CD1 4.06Å; M160-I178 HydrophobicContact CE-CG1 4.33Å; M160-I178 HydrophobicContact SD-CD1 4.08Å; M160-I178 HydrophobicContact SD-CG1 4.35Å; M160-M414 HydrophobicContact CE-CE 4.43Å; M160-M414 HydrophobicContact CE-CG 4.22Å; M160-M414 HydrophobicContact SD-CE 4.1Å; M160-V571 HydrophobicContact CG-CG1 4.01Å; M160-V571 HydrophobicContact SD-CG1 3.74Å; M160-V571 HydrophobicContact SD-CG2 4.22Å
161	S	93.5	Very high	89.6	Confident	2 Å²	2	25.7 Å²	25.7	1%	0.014	15%	0.151	C	C	.	.	H	α-helix	trans	-67.2	-34.7	175.3	-61.9	0	0	0	0	112.2	A157 L158 S159 A164 T165 P431	A157-S161 WeakPolarHBondContact O-CB 3.25Å; A157-S161 PolarHBondContact O-N 3.15Å; A157-S161 PolarHBondContact O-OG 3.28Å; L158-S161 WeakPolarHBondContact O-CB 3.43Å; L158-S161 PolarHBondContact O-N 3.38Å; S159-S161 VanDerWaalsContact C-N 3.3Å; S159-S161 PolarHBondContact O-N 3.03Å; S161-A164 PolarHBondContact O-N 3.49Å; S161-T165 WeakPolarHBondContact O-CG2 3.45Å; S161-T165 PolarHBondContact O-N 3.36Å; S161-T165 VanDerWaalsContact O-N 3.16Å; S161-T165 PolarHBondContact O-OG1 3.43Å; S161-P431 WeakPolarHBondContact OG-CA 3.34Å
162	A	93.8	Very high	88.3	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.3	-42.4	172.2	0	0	0	0	0	111.6	L158 S159 M160 T165 N166 W586 P588 Y593	L158-A162 PolarHBondContact O-N 3.13Å; S159-A162 WeakPolarHBondContact O-CB 3.44Å; S159-A162 PolarHBondContact O-N 2.94Å; S159-A162 VanDerWaalsContact O-N 3.16Å; M160-A162 VanDerWaalsContact C-N 3.33Å; A162-T165 PolarHBondContact O-N 2.97Å; A162-T165 PolarHBondContact O-OG1 2.91Å; A162-T165 VanDerWaalsContact O-OG1 3.13Å; A162-N166 PolarHBondContact O-N 2.88Å; A162-N166 VanDerWaalsContact O-N 3.14Å; A162-W586 HydrophobicContact CB-CZ2 4.19Å; A162-P588 HydrophobicContact CB-CB 3.94Å; A162-Y593 HydrophobicContact CB-CD1 4.18Å; A162-Y593 HydrophobicContact CB-CD2 3.31Å; A162-Y593 HydrophobicContact CB-CE2 3.73Å; A162-Y593 HydrophobicContact CB-CG 3.55Å
163	I	92.8	Very high	87.5	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.2	-45.9	174.8	-62.9	167.2	0	0	0	110.9	S159 M160 T165 N166 M177 I178 S181 I182 V571 T575 W586	S159-I163 WeakPolarHBondContact O-CG1 3.37Å; S159-I163 PolarHBondContact O-N 3.35Å; S159-I163 VanDerWaalsContact O-N 3.09Å; M160-I163 WeakPolarHBondContact O-CB 3.25Å; M160-I163 PolarHBondContact O-N 3.42Å; M160-I163 HydrophobicContact SD-CD1 3.94Å; I163-T165 PolarHBondContact O-N 3.48Å; I163-N166 PolarHBondContact O-N 3.3Å; I163-M177 HydrophobicContact CG2-CG 4.19Å; I163-I178 HydrophobicContact CG2-CG1 4.45Å; I163-S181 PolarHBondContact O-OG 3.46Å; I163-I182 HydrophobicContact CD1-CD1 3.42Å; I163-I182 VanDerWaalsContact CD1-CD1 3.42Å; I163-I182 HydrophobicContact CG1-CD1 3.8Å; I163-I182 HydrophobicContact CG1-CG1 4.4Å; I163-V571 HydrophobicContact CD1-CG1 3.83Å; I163-T575 HydrophobicContact CD1-CG2 3.85Å; I163-T575 HydrophobicContact CG1-CG2 3.71Å; I163-W586 HydrophobicContact CG1-CH2 3.78Å; I163-W586 HydrophobicContact CG1-CZ3 4.27Å
164	A	91.4	Very high	87	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-68	-16	-179.9	0	0	0	0	0	113.9	M160 S161 V169 M177 I430	M160-A164 WeakPolarHBondContact O-CB 3.21Å; M160-A164 PolarHBondContact O-N 3Å; S161-A164 PolarHBondContact O-N 3.49Å; A164-V169 WeakPolarHBondContact O-CG2 3.34Å; A164-M177 HydrophobicContact CB-SD 3.68Å; A164-I430 HydrophobicContact CB-CB 4.19Å; A164-I430 HydrophobicContact CB-CD1 4.43Å; A164-I430 HydrophobicContact CB-CG2 3.93Å
165	T	91.5	Very high	86.7	Confident	11 Å²	11	21.8 Å²	21.8	7%	0.067	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	0.2	176.5	56.6	0	0	0	0	113.2	S161 A162 I163 P431 F590	S161-T165 WeakPolarHBondContact O-CG2 3.45Å; S161-T165 PolarHBondContact O-N 3.36Å; S161-T165 VanDerWaalsContact O-N 3.16Å; S161-T165 PolarHBondContact O-OG1 3.43Å; A162-T165 PolarHBondContact O-N 2.97Å; A162-T165 PolarHBondContact O-OG1 2.91Å; A162-T165 VanDerWaalsContact O-OG1 3.13Å; I163-T165 PolarHBondContact O-N 3.48Å; T165-P431 HydrophobicContact CG2-CG 4.16Å; T165-F590 HydrophobicContact CG2-CB 4.15Å; T165-F590 WeakPolarHBondContact OG1-CB 3.48Å; T165-F590 PolarHBondContact OG1-N 3.36Å
166	N	88.8	Confident	86.1	Confident	12 Å²	12	21.7 Å²	21.7	6%	0.064	13%	0.127	C	C	.	.	S	Bend	trans	-88.5	107.3	173.7	-168.1	37.3	0	0	0	110	A162 I163 S181 S585 W586 R587	A162-N166 PolarHBondContact O-N 2.88Å; A162-N166 VanDerWaalsContact O-N 3.14Å; I163-N166 PolarHBondContact O-N 3.3Å; N166-S181 PolarHBondContact ND2-O 3.5Å; N166-S181 PolarHBondContact O-OG 3.25Å; N166-S585 PolarHBondContact ND2-O 3.17Å; N166-S585 PolarHBondContact OD1-O 2.97Å; N166-W586 HydrophobicContact CB-CE3 4.43Å; N166-W586 HydrophobicContact CB-CZ3 4.23Å; N166-W586 VanDerWaalsContact ND2-CE3 3.26Å; N166-R587 PolarHBondContact OD1-N 2.94Å
167	G	81.6	Confident	85.7	Confident	46 Å²	46	21.7 Å²	21.7	47%	0.474	13%	0.127	S	C	.	.	S	Bend	trans	72.1	-169.5	-179.1	0	0	0	0	0	114.7	Q427	G167-Q427 PolarHBondContact O-NE2 2.92Å
168	K	80	Confident	85.3	Confident	198 Å²	198	21.9 Å²	21.9	86%	0.861	13%	0.128	S	C	*	.	P	Polyproline II helix	trans	-76.2	127.2	174.1	-70.6	-175.5	178.4	179.2	0	108.8	P170	K168-P170 WeakPolarHBondContact O-CD 3.4Å
169	V	78.6	Confident	85	Confident	21 Å²	21	20.8 Å²	20.8	13%	0.127	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-72.8	119.2	178.4	-179.1	0	0	0	0	108.7	A164 M177 P426 Q427 I430	A164-V169 WeakPolarHBondContact O-CG2 3.34Å; V169-M177 HydrophobicContact CG1-CG 4.21Å; V169-M177 HydrophobicContact CG1-SD 4.24Å; V169-P426 HydrophobicContact CB-CB 3.95Å; V169-P426 HydrophobicContact CB-CG 3.91Å; V169-P426 HydrophobicContact CG1-CB 3.98Å; V169-P426 HydrophobicContact CG1-CG 4.38Å; V169-P426 HydrophobicContact CG2-CB 4.27Å; V169-P426 HydrophobicContact CG2-CG 4.44Å; V169-Q427 HydrophobicContact CG2-CG 3.74Å; V169-I430 HydrophobicContact CG1-CD1 4.2Å
170	P	72	Confident	84.5	Confident	34 Å²	34	28.8 Å²	28.8	22%	0.221	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-71.1	149.3	179.9	29.3	-34.1	0	0	0	111.4	K168 F176 R180 S420	K168-P170 WeakPolarHBondContact O-CD 3.4Å; P170-F176 HydrophobicContact CG-CB 4.05Å; P170-R180 HydrophobicContact CG-CB 4.43Å; P170-R180 HydrophobicContact CG-CG 4.29Å; P170-S420 PolarHBondContact O-OG 2.97Å
171	A	66.9	Low	84.1	Confident	51 Å²	51	29 Å²	29	42%	0.421	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	124.5	163.5	0	0	0	0	0	108.4	V88	V88-A171 HydrophobicContact CG2-CB 4.35Å
172	G	67.6	Low	83.6	Confident	5 Å²	5	29.8 Å²	29.8	5%	0.052	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	150.9	-5.4	-176.9	0	0	0	0	0	115.5	F176	G172-F176 WeakPolarHBondContact O-CD2 3.48Å
173	G	79.1	Confident	83	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.17	C	C	.	.			trans	90.5	-166.3	176	0	0	0	0	0	114.5	Y175 F176 M177 S417 S420	G173-Y175 PolarHBondContact O-N 2.64Å; G173-F176 PolarHBondContact O-N 3.07Å; G173-M177 WeakPolarHBondContact O-CB 3.4Å; G173-M177 PolarHBondContact O-N 3.25Å; G173-M177 VanDerWaalsContact O-N 3.13Å; G173-S417 CarbonylContact C-O 3.59Å; G173-S417 VanDerWaalsContact CA-O 3.26Å; G173-S417 WeakPolarHBondContact CA-O 3.34Å; G173-S420 PolarHBondContact N-OG 3.01Å
174	S	84.6	Confident	82.5	Confident	3 Å²	3	34.4 Å²	34.4	2%	0.021	19%	0.193	C	C	.	.	H	α-helix	trans	-57.6	-42.4	-174.1	52.3	0	0	0	0	113.7	M177 I178 S417 N418	S174-M177 PolarHBondContact O-N 2.89Å; S174-I178 VanDerWaalsContact O-CG1 3.25Å; S174-I178 WeakPolarHBondContact O-CG1 3.39Å; S174-I178 PolarHBondContact O-N 3Å; S174-S417 VanDerWaalsContact CB-OG 3.24Å; S174-S417 WeakPolarHBondContact CB-OG 3.35Å; S174-S417 PolarHBondContact N-O 3.45Å; S174-N418 VanDerWaalsContact CB-OD1 3.25Å; S174-N418 WeakPolarHBondContact CB-OD1 3.12Å; S174-N418 PolarHBondContact N-OD1 3.5Å; S174-N418 PolarHBondContact OG-OD1 2.94Å
175	Y	88.4	Confident	82.2	Confident	7 Å²	7	35.1 Å²	35.1	3%	0.027	20%	0.199	C	C	.	.	H	α-helix	trans	-62.7	-53.2	-178.4	171.4	-105.4	0	0	0	112.8	G173 M177 I178 S179 G187 L508 A511 I512 D515	G173-Y175 PolarHBondContact O-N 2.64Å; Y175-M177 VanDerWaalsContact C-N 3.28Å; Y175-M177 PolarHBondContact O-N 3.15Å; Y175-I178 PolarHBondContact O-N 2.86Å; Y175-I178 VanDerWaalsContact O-N 3.15Å; Y175-S179 WeakPolarHBondContact O-CB 3.41Å; Y175-S179 PolarHBondContact O-N 3.29Å; Y175-S179 PolarHBondContact O-OG 3.22Å; Y175-G187 WeakPolarHBondContact CD2-O 3.48Å; Y175-G187 VanDerWaalsContact CE2-O 3.25Å; Y175-G187 WeakPolarHBondContact CE2-O 3.28Å; Y175-L508 HydrophobicContact CG-CD1 4.21Å; Y175-A511 HydrophobicContact CD1-CB 3.71Å; Y175-A511 HydrophobicContact CE1-CB 4.25Å; Y175-A511 WeakPolarHBondContact CE1-O 2.99Å; Y175-A511 HydrophobicContact CG-CB 4.48Å; Y175-I512 HydrophobicContact CD1-CG1 4.42Å; Y175-I512 HydrophobicContact CD2-CG1 3.77Å; Y175-I512 HydrophobicContact CE1-CG1 4.16Å; Y175-I512 HydrophobicContact CE2-CB 4.38Å; Y175-I512 HydrophobicContact CE2-CG1 3.48Å; Y175-I512 VanDerWaalsContact CE2-CG1 3.48Å; Y175-I512 HydrophobicContact CG-CG1 4.23Å; Y175-D515 HydrophobicContact CE1-CB 4.38Å; Y175-D515 WeakPolarHBondContact CE1-OD2 3.43Å; Y175-D515 PolarHBondContact OH-OD2 3.49Å
176	F	84.9	Confident	82	Confident	24 Å²	24	35.8 Å²	35.8	11%	0.105	20%	0.201	C	C	.	.	H	α-helix	trans	-63.8	-36.5	179.4	-79.1	-76	0	0	0	111.8	T87 P170 G172 G173 I178 S179 R180 A511 D515	T87-F176 HydrophobicContact CG2-CE2 3.82Å; P170-F176 HydrophobicContact CG-CB 4.05Å; G172-F176 WeakPolarHBondContact O-CD2 3.48Å; G173-F176 PolarHBondContact O-N 3.07Å; F176-I178 VanDerWaalsContact C-N 3.35Å; F176-I178 PolarHBondContact O-N 3.48Å; F176-S179 PolarHBondContact O-OG 3.22Å; F176-R180 VanDerWaalsContact O-CB 3.31Å; F176-R180 WeakPolarHBondContact O-CB 3.43Å; F176-R180 WeakPolarHBondContact O-CG 3.18Å; F176-R180 PolarHBondContact O-N 3.46Å; F176-R180 VanDerWaalsContact O-N 3.07Å; F176-A511 HydrophobicContact CD2-CB 4.28Å; F176-A511 HydrophobicContact CE2-CB 3.63Å; F176-A511 HydrophobicContact CZ-CB 4.27Å; F176-D515 WeakPolarHBondContact CE1-OD1 3.42Å
177	M	86.2	Confident	82	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.2	-42.6	174.3	-175.3	-176.4	69.2	0	0	111.7	M160 I163 A164 V169 G173 S174 Y175 S181 I430	M160-M177 HydrophobicContact CE-CE 3.4Å; M160-M177 VanDerWaalsContact CE-CE 3.4Å; I163-M177 HydrophobicContact CG2-CG 4.19Å; A164-M177 HydrophobicContact CB-SD 3.68Å; V169-M177 HydrophobicContact CG1-CG 4.21Å; V169-M177 HydrophobicContact CG1-SD 4.24Å; G173-M177 WeakPolarHBondContact O-CB 3.4Å; G173-M177 PolarHBondContact O-N 3.25Å; G173-M177 VanDerWaalsContact O-N 3.13Å; S174-M177 PolarHBondContact O-N 2.89Å; Y175-M177 VanDerWaalsContact C-N 3.28Å; Y175-M177 PolarHBondContact O-N 3.15Å; M177-S181 VanDerWaalsContact O-CB 3.26Å; M177-S181 WeakPolarHBondContact O-CB 3.43Å; M177-S181 PolarHBondContact O-N 3.39Å; M177-S181 PolarHBondContact O-OG 3.02Å; M177-S181 VanDerWaalsContact O-OG 3.06Å; M177-I430 HydrophobicContact SD-CD1 4.01Å
178	I	88	Confident	82.3	Confident	5 Å²	5	33 Å²	33	3%	0.026	18%	0.176	C	C	.	.	H	α-helix	trans	-73.9	-46.5	178.6	-65.4	168.1	0	0	0	111.1	M160 I163 S174 Y175 F176 R180 S181 I182 V190 V571	M160-I178 HydrophobicContact CE-CD1 4.06Å; M160-I178 HydrophobicContact CE-CG1 4.33Å; M160-I178 HydrophobicContact SD-CD1 4.08Å; M160-I178 HydrophobicContact SD-CG1 4.35Å; I163-I178 HydrophobicContact CG2-CG1 4.45Å; S174-I178 VanDerWaalsContact O-CG1 3.25Å; S174-I178 WeakPolarHBondContact O-CG1 3.39Å; S174-I178 PolarHBondContact O-N 3Å; Y175-I178 PolarHBondContact O-N 2.86Å; Y175-I178 VanDerWaalsContact O-N 3.15Å; F176-I178 VanDerWaalsContact C-N 3.35Å; F176-I178 PolarHBondContact O-N 3.48Å; I178-R180 VanDerWaalsContact C-N 3.34Å; I178-R180 PolarHBondContact O-N 2.83Å; I178-S181 PolarHBondContact O-N 2.87Å; I178-I182 HydrophobicContact CG2-CD1 4.13Å; I178-I182 PolarHBondContact O-N 3.41Å; I178-V190 HydrophobicContact CD1-CG1 4.05Å; I178-V571 HydrophobicContact CD1-CG2 4.42Å
179	S	87.2	Confident	82.7	Confident	6 Å²	6	23.7 Å²	23.7	4%	0.042	14%	0.136	C	C	.	.	H	α-helix	trans	-65.2	-34.9	-175.1	73.2	0	0	0	0	112.7	Y175 F176 G183 D515	Y175-S179 WeakPolarHBondContact O-CB 3.41Å; Y175-S179 PolarHBondContact O-N 3.29Å; Y175-S179 PolarHBondContact O-OG 3.22Å; F176-S179 PolarHBondContact O-OG 3.22Å; S179-G183 CarbonylContact O-C 3.58Å; S179-G183 WeakPolarHBondContact O-CA 3.4Å; S179-G183 PolarHBondContact O-N 2.81Å; S179-G183 VanDerWaalsContact O-N 3.08Å; S179-D515 PolarHBondContact OG-OD2 2.88Å
180	R	84.8	Confident	83.3	Confident	168 Å²	168	22.9 Å²	22.9	63%	0.634	13%	0.131	S	C	*	.	H	α-helix	trans	-81.6	-30.8	178.3	-60.6	-66.7	169.2	171.7	-5	113.4	P170 F176 I178 D515	P170-R180 HydrophobicContact CG-CB 4.43Å; P170-R180 HydrophobicContact CG-CG 4.29Å; F176-R180 VanDerWaalsContact O-CB 3.31Å; F176-R180 WeakPolarHBondContact O-CB 3.43Å; F176-R180 WeakPolarHBondContact O-CG 3.18Å; F176-R180 PolarHBondContact O-N 3.46Å; F176-R180 VanDerWaalsContact O-N 3.07Å; I178-R180 VanDerWaalsContact C-N 3.34Å; I178-R180 PolarHBondContact O-N 2.83Å; R180-D515 IonicContact NH2-OD1 3.19Å; R180-D515 PolarHBondContact NH2-OD1 3.02Å; R180-D515 VanDerWaalsContact NH2-OD1 3.13Å
181	S	84.2	Confident	84.2	Confident	16 Å²	16	21.4 Å²	21.4	11%	0.112	12%	0.122	C	C	.	.	H	α-helix	trans	-86.4	-32.9	-177.9	-67.2	0	0	0	0	114.5	I163 N166 M177 I178	I163-S181 PolarHBondContact O-OG 3.46Å; N166-S181 PolarHBondContact ND2-O 3.5Å; N166-S181 PolarHBondContact O-OG 3.25Å; M177-S181 VanDerWaalsContact O-CB 3.26Å; M177-S181 WeakPolarHBondContact O-CB 3.43Å; M177-S181 PolarHBondContact O-N 3.39Å; M177-S181 PolarHBondContact O-OG 3.02Å; M177-S181 VanDerWaalsContact O-OG 3.06Å; I178-S181 PolarHBondContact O-N 2.87Å
182	I	82.6	Confident	85.4	Confident	19 Å²	19	20.1 Å²	20.1	10%	0.097	11%	0.108	C	C	.	.	H	α-helix	trans	-108.2	-27.9	-178.1	-65.7	165	0	0	0	111.3	I163 I178 F186 A574 W586	I163-I182 HydrophobicContact CD1-CD1 3.42Å; I163-I182 VanDerWaalsContact CD1-CD1 3.42Å; I163-I182 HydrophobicContact CG1-CD1 3.8Å; I163-I182 HydrophobicContact CG1-CG1 4.4Å; I178-I182 HydrophobicContact CG2-CD1 4.13Å; I178-I182 PolarHBondContact O-N 3.41Å; I182-F186 HydrophobicContact CB-CB 4.4Å; I182-F186 HydrophobicContact CG2-CB 3.48Å; I182-F186 VanDerWaalsContact CG2-CB 3.48Å; I182-F186 HydrophobicContact CG2-CD2 3.53Å; I182-F186 HydrophobicContact CG2-CE2 4.42Å; I182-F186 HydrophobicContact CG2-CG 3.63Å; I182-A574 HydrophobicContact CD1-CB 3.71Å; I182-A574 HydrophobicContact CG1-CB 4.26Å; I182-A574 HydrophobicContact CG2-CB 3.56Å; I182-W586 HydrophobicContact CG1-CZ3 4.03Å
183	G	81.6	Confident	86.5	Confident	21 Å²	21	20.5 Å²	20.5	22%	0.216	11%	0.108	C	C	.	.			trans	119.6	159.6	-177.3	0	0	0	0	0	112.8	S179 A185 G187	S179-G183 CarbonylContact O-C 3.58Å; S179-G183 WeakPolarHBondContact O-CA 3.4Å; S179-G183 PolarHBondContact O-N 2.81Å; S179-G183 VanDerWaalsContact O-N 3.08Å; G183-A185 VanDerWaalsContact C-N 3.32Å; G183-A185 PolarHBondContact O-N 3.41Å; G183-G187 PolarHBondContact O-N 3.44Å
184	P	83.1	Confident	87	Confident	75 Å²	75	21.2 Å²	21.2	49%	0.487	11%	0.111	S	C	.	.	H	α-helix	trans	-67.5	-27.8	-171.7	25.8	-34.6	0	0	0	113.6	G188	P184-G188 PolarHBondContact O-N 3.13Å
185	A	85.6	Confident	87.4	Confident	16 Å²	16	21.5 Å²	21.5	13%	0.132	11%	0.112	C	C	.	.	H	α-helix	trans	-65.7	-52.6	179.1	0	0	0	0	0	112.5	G183 A189 Y628 I631	G183-A185 VanDerWaalsContact C-N 3.32Å; G183-A185 PolarHBondContact O-N 3.41Å; A185-A189 PolarHBondContact O-N 3.37Å; A185-A189 VanDerWaalsContact O-N 3.16Å; A185-Y628 HydrophobicContact CB-CD2 4.08Å; A185-Y628 HydrophobicContact CB-CE2 3.71Å; A185-I631 HydrophobicContact CB-CG2 4.14Å
186	F	86.7	Confident	87.6	Confident	24 Å²	24	23.3 Å²	23.3	11%	0.105	12%	0.122	C	C	.	.	H	α-helix	trans	-66.1	-44.6	173.8	-78.4	-76.6	0	0	0	111.6	I182 G188 A189 V190 A574 L577 Y628	I182-F186 HydrophobicContact CB-CB 4.4Å; I182-F186 HydrophobicContact CG2-CB 3.48Å; I182-F186 VanDerWaalsContact CG2-CB 3.48Å; I182-F186 HydrophobicContact CG2-CD2 3.53Å; I182-F186 HydrophobicContact CG2-CE2 4.42Å; I182-F186 HydrophobicContact CG2-CG 3.63Å; F186-G188 PolarHBondContact O-N 3.4Å; F186-A189 PolarHBondContact O-N 2.98Å; F186-V190 WeakPolarHBondContact O-CB 3.48Å; F186-V190 VanDerWaalsContact O-CG2 3.25Å; F186-V190 WeakPolarHBondContact O-CG2 3.48Å; F186-V190 PolarHBondContact O-N 2.99Å; F186-A574 HydrophobicContact CD1-CB 3.91Å; F186-A574 HydrophobicContact CE1-CB 4.09Å; F186-A574 HydrophobicContact CG-CB 4.13Å; F186-A574 HydrophobicContact CZ-CB 4.47Å; F186-L577 HydrophobicContact CZ-CD1 4.2Å; F186-Y628 HydrophobicContact CD1-CD2 4.49Å; F186-Y628 HydrophobicContact CD1-CE2 4.14Å; F186-Y628 AromaticContact CD2-CE2 3.86Å; F186-Y628 HydrophobicContact CD2-CE2 3.86Å; F186-Y628 HydrophobicContact CE1-CE2 4.05Å; F186-Y628 AromaticContact CE2-CE2 3.76Å; F186-Y628 HydrophobicContact CE2-CE2 3.76Å; F186-Y628 HydrophobicContact CG-CE2 4.05Å; F186-Y628 AromaticContact CZ-CE2 3.85Å; F186-Y628 HydrophobicContact CZ-CE2 3.85Å
187	G	87.3	Confident	87.9	Confident	1 Å²	1	22.1 Å²	22.1	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-57.3	-45.5	178.3	0	0	0	0	0	113	Y175 G183 G191	Y175-G187 WeakPolarHBondContact CD2-O 3.48Å; Y175-G187 VanDerWaalsContact CE2-O 3.25Å; Y175-G187 WeakPolarHBondContact CE2-O 3.28Å; G183-G187 PolarHBondContact O-N 3.44Å; G187-G191 WeakPolarHBondContact O-CA 3.39Å; G187-G191 PolarHBondContact O-N 3.44Å
188	G	88	Confident	88.2	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.2	-47.2	177.1	0	0	0	0	0	113.3	P184 F186 G191 I192	P184-G188 PolarHBondContact O-N 3.13Å; F186-G188 PolarHBondContact O-N 3.4Å; G188-G191 PolarHBondContact O-N 2.97Å; G188-I192 WeakPolarHBondContact O-CG1 3.35Å; G188-I192 PolarHBondContact O-N 3.27Å
189	A	90.3	Very high	88.4	Confident	2 Å²	2	22.7 Å²	22.7	2%	0.017	12%	0.12	C	C	.	.	H	α-helix	trans	-63.6	-48.3	178.7	0	0	0	0	0	112.2	A185 F186 G191 I192 L193 F570 I627	A185-A189 PolarHBondContact O-N 3.37Å; A185-A189 VanDerWaalsContact O-N 3.16Å; F186-A189 PolarHBondContact O-N 2.98Å; A189-G191 VanDerWaalsContact C-N 3.32Å; A189-G191 PolarHBondContact O-N 3.1Å; A189-I192 PolarHBondContact O-N 3.11Å; A189-L193 WeakPolarHBondContact O-CG 3.47Å; A189-L193 PolarHBondContact O-N 3.14Å; A189-F570 HydrophobicContact CB-CD2 4.47Å; A189-F570 HydrophobicContact CB-CE2 4.27Å; A189-I627 HydrophobicContact CB-CG2 4.3Å
190	V	91.3	Very high	88.7	Confident	4 Å²	4	23.1 Å²	23.1	2%	0.024	12%	0.122	C	C	.	.	H	α-helix	trans	-61.9	-41.6	176.1	174.2	0	0	0	0	110.7	I178 F186 L193 F194 F570 V571	I178-V190 HydrophobicContact CD1-CG1 4.05Å; F186-V190 WeakPolarHBondContact O-CB 3.48Å; F186-V190 VanDerWaalsContact O-CG2 3.25Å; F186-V190 WeakPolarHBondContact O-CG2 3.48Å; F186-V190 PolarHBondContact O-N 2.99Å; V190-L193 PolarHBondContact O-N 2.64Å; V190-F194 VanDerWaalsContact O-CB 3.27Å; V190-F194 WeakPolarHBondContact O-CB 3.45Å; V190-F194 PolarHBondContact O-N 3.23Å; V190-F570 HydrophobicContact CG2-CB 3.67Å; V190-F570 HydrophobicContact CG2-CD2 4.37Å; V190-V571 HydrophobicContact CG1-CG2 4.03Å; V190-V571 HydrophobicContact CG2-CG2 4.4Å
191	G	90.2	Very high	89.1	Confident	3 Å²	3	15.3 Å²	15.3	3%	0.031	9%	0.093	C	C	.	.	H	α-helix	trans	-60	-46	178.2	0	0	0	0	0	113.4	G187 G188 A189 F194 Y195 I512	G187-G191 WeakPolarHBondContact O-CA 3.39Å; G187-G191 PolarHBondContact O-N 3.44Å; G188-G191 PolarHBondContact O-N 2.97Å; A189-G191 VanDerWaalsContact C-N 3.32Å; A189-G191 PolarHBondContact O-N 3.1Å; G191-F194 PolarHBondContact O-N 2.97Å; G191-Y195 WeakPolarHBondContact O-CB 3.41Å; G191-Y195 PolarHBondContact O-N 3.12Å; G191-I512 VanDerWaalsContact C-CD1 3.43Å
192	I	90.9	Very high	89.4	Confident	24 Å²	24	14.5 Å²	14.5	12%	0.123	9%	0.088	C	C	.	.	H	α-helix	trans	-64.3	-45.2	177.3	-64.5	166.9	0	0	0	111.2	G188 A189 F194 Y195 L196 M518 I627	G188-I192 WeakPolarHBondContact O-CG1 3.35Å; G188-I192 PolarHBondContact O-N 3.27Å; A189-I192 PolarHBondContact O-N 3.11Å; I192-F194 VanDerWaalsContact C-N 3.31Å; I192-F194 PolarHBondContact O-N 3.19Å; I192-Y195 WeakPolarHBondContact O-CB 3.08Å; I192-Y195 PolarHBondContact O-N 2.87Å; I192-L196 HydrophobicContact CG2-CD1 4.16Å; I192-L196 HydrophobicContact CG2-CG 4.46Å; I192-L196 WeakPolarHBondContact O-CG 3.21Å; I192-L196 PolarHBondContact O-N 2.91Å; I192-M518 HydrophobicContact CD1-CE 3.16Å; I192-M518 HydrophobicContact CD1-SD 3.31Å; I192-M518 WeakPolarHBondContact CD1-SD 3.44Å; I192-M518 HydrophobicContact CG1-CE 3.57Å; I192-M518 HydrophobicContact CG1-SD 4.33Å; I192-I627 HydrophobicContact CD1-CD1 4.49Å; I192-I627 HydrophobicContact CD1-CG2 3.7Å
193	L	90.9	Very high	89.9	Confident	12 Å²	12	13.6 Å²	13.6	6%	0.063	8%	0.084	C	C	.	.	H	α-helix	trans	-62.5	-42.3	179.6	-70	168	0	0	0	111.1	A189 V190 L196 G197 F563 M566 C567 F570	A189-L193 WeakPolarHBondContact O-CG 3.47Å; A189-L193 PolarHBondContact O-N 3.14Å; V190-L193 PolarHBondContact O-N 2.64Å; L193-L196 PolarHBondContact O-N 3Å; L193-G197 PolarHBondContact O-N 3.27Å; L193-F563 HydrophobicContact CD2-CD1 4.18Å; L193-M566 HydrophobicContact CD1-CB 4.14Å; L193-M566 HydrophobicContact CD1-CG 3.63Å; L193-M566 HydrophobicContact CD1-SD 4.06Å; L193-M566 HydrophobicContact CD2-CB 4.49Å; L193-M566 HydrophobicContact CD2-CG 4.28Å; L193-M566 HydrophobicContact CD2-SD 3.85Å; L193-C567 HydrophobicContact CB-CB 4.39Å; L193-F570 HydrophobicContact CD1-CD2 3.67Å; L193-F570 HydrophobicContact CD1-CE2 3.74Å
194	F	91.2	Very high	90.5	Very high	15 Å²	15	12.8 Å²	12.8	7%	0.066	7%	0.074	C	C	.	.	H	α-helix	trans	-66.8	-36.4	176.2	-175.9	-134.6	0	0	0	112.2	V190 G191 I192 T198 M414 L508 F564	V190-F194 VanDerWaalsContact O-CB 3.27Å; V190-F194 WeakPolarHBondContact O-CB 3.45Å; V190-F194 PolarHBondContact O-N 3.23Å; G191-F194 PolarHBondContact O-N 2.97Å; I192-F194 VanDerWaalsContact C-N 3.31Å; I192-F194 PolarHBondContact O-N 3.19Å; F194-T198 WeakPolarHBondContact CE2-OG1 3.46Å; F194-T198 VanDerWaalsContact O-CB 3.3Å; F194-T198 WeakPolarHBondContact O-CB 3.48Å; F194-T198 PolarHBondContact O-N 3.45Å; F194-T198 PolarHBondContact O-OG1 2.84Å; F194-M414 HydrophobicContact CD1-SD 4.35Å; F194-M414 HydrophobicContact CD2-SD 4.27Å; F194-M414 HydrophobicContact CE1-CB 4.35Å; F194-M414 HydrophobicContact CE1-SD 4.44Å; F194-M414 HydrophobicContact CE2-CB 4.34Å; F194-M414 HydrophobicContact CE2-SD 4.36Å; F194-M414 HydrophobicContact CG-SD 4.3Å; F194-M414 HydrophobicContact CZ-CB 3.93Å; F194-M414 HydrophobicContact CZ-SD 4.45Å; F194-L508 HydrophobicContact CB-CD2 4.05Å; F194-L508 HydrophobicContact CD1-CD1 4.26Å; F194-L508 HydrophobicContact CD1-CD2 3.28Å; F194-L508 HydrophobicContact CD1-CG 4.41Å; F194-L508 HydrophobicContact CE1-CD2 3.92Å; F194-L508 HydrophobicContact CG-CD2 3.9Å; F194-F564 AromaticContact CD2-CE1 3.73Å; F194-F564 HydrophobicContact CD2-CE1 3.73Å; F194-F564 HydrophobicContact CD2-CZ 4.4Å; F194-F564 AromaticContact CE2-CE1 3.76Å; F194-F564 HydrophobicContact CE2-CE1 3.76Å; F194-F564 HydrophobicContact CE2-CZ 4.34Å
195	Y	92.6	Very high	90.9	Very high	9 Å²	9	9.6 Å²	9.6	4%	0.035	5%	0.052	C	C	.	.	H	α-helix	trans	-60.9	-49.8	172.5	163.3	-105.1	0	0	0	112.2	G191 I192 T198 T199 A505 L509 L539 I543	G191-Y195 WeakPolarHBondContact O-CB 3.41Å; G191-Y195 PolarHBondContact O-N 3.12Å; I192-Y195 WeakPolarHBondContact O-CB 3.08Å; I192-Y195 PolarHBondContact O-N 2.87Å; Y195-T198 PolarHBondContact O-N 3.12Å; Y195-T199 WeakPolarHBondContact CE2-OG1 3.42Å; Y195-T199 WeakPolarHBondContact O-CB 3.29Å; Y195-T199 PolarHBondContact O-N 3.2Å; Y195-T199 PolarHBondContact O-OG1 3.43Å; Y195-A505 HydrophobicContact CD2-CB 3.85Å; Y195-A505 VanDerWaalsContact CD2-O 3.25Å; Y195-A505 WeakPolarHBondContact CD2-O 3.43Å; Y195-A505 HydrophobicContact CE2-CB 4.07Å; Y195-L509 HydrophobicContact CD1-CD1 4.41Å; Y195-L509 HydrophobicContact CD2-CB 3.89Å; Y195-L509 HydrophobicContact CE1-CD1 4.42Å; Y195-L509 HydrophobicContact CE1-CD2 4.37Å; Y195-L509 HydrophobicContact CE2-CB 3.9Å; Y195-L509 HydrophobicContact CE2-CD2 4.04Å; Y195-L509 HydrophobicContact CE2-CG 4.45Å; Y195-L509 HydrophobicContact CG-CB 4.44Å; Y195-L539 WeakPolarHBondContact OH-CD2 3.27Å; Y195-L539 WeakPolarHBondContact OH-CG 3.3Å; Y195-I543 HydrophobicContact CE1-CD1 3.97Å; Y195-I543 WeakPolarHBondContact OH-CD1 3.44Å
196	L	92.1	Very high	91.3	Very high	45 Å²	45	8.9 Å²	8.9	24%	0.236	5%	0.046	C	C	.	.	H	α-helix	trans	-63.7	-46	178.9	-69.2	175.2	0	0	0	111.3	I192 L193 T198 T199 I200 I543 F563	I192-L196 HydrophobicContact CG2-CD1 4.16Å; I192-L196 HydrophobicContact CG2-CG 4.46Å; I192-L196 WeakPolarHBondContact O-CG 3.21Å; I192-L196 PolarHBondContact O-N 2.91Å; L193-L196 PolarHBondContact O-N 3Å; L196-T198 PolarHBondContact O-N 3.18Å; L196-T199 PolarHBondContact O-N 3.24Å; L196-I200 WeakPolarHBondContact O-CG1 3.39Å; L196-I200 PolarHBondContact O-N 3.29Å; L196-I543 HydrophobicContact CD2-CD1 4.24Å; L196-F563 HydrophobicContact CB-CD1 4.23Å; L196-F563 HydrophobicContact CB-CE1 4.22Å; L196-F563 HydrophobicContact CB-CG 4.5Å; L196-F563 HydrophobicContact CB-CZ 4.46Å; L196-F563 HydrophobicContact CD1-CE1 3.98Å; L196-F563 HydrophobicContact CD1-CZ 4.46Å
197	G	91.5	Very high	91.6	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-59.3	-46.3	177.3	0	0	0	0	0	112.9	L193 I200 A201	L193-G197 PolarHBondContact O-N 3.27Å; G197-I200 PolarHBondContact O-N 3.43Å; G197-A201 VanDerWaalsContact O-CB 3.29Å; G197-A201 WeakPolarHBondContact O-CB 3.17Å; G197-A201 PolarHBondContact O-N 3.11Å
198	T	91.3	Very high	91.8	Very high	16 Å²	16	7.7 Å²	7.7	10%	0.098	4%	0.041	C	C	.	.	H	α-helix	trans	-68.2	-37.3	179.3	-54.3	0	0	0	0	112.1	F194 Y195 L196 A201 S202 A505	F194-T198 WeakPolarHBondContact CE2-OG1 3.46Å; F194-T198 VanDerWaalsContact O-CB 3.3Å; F194-T198 WeakPolarHBondContact O-CB 3.48Å; F194-T198 PolarHBondContact O-N 3.45Å; F194-T198 PolarHBondContact O-OG1 2.84Å; Y195-T198 PolarHBondContact O-N 3.12Å; L196-T198 PolarHBondContact O-N 3.18Å; T198-A201 PolarHBondContact O-N 2.9Å; T198-S202 PolarHBondContact O-N 3.5Å; T198-A505 HydrophobicContact CG2-CB 4.08Å
199	T	93.3	Very high	91.9	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-65.7	-44	177.7	-57.1	0	0	0	0	111.5	Y195 L196 S202 A505 C540 I543 A544	Y195-T199 WeakPolarHBondContact CE2-OG1 3.42Å; Y195-T199 WeakPolarHBondContact O-CB 3.29Å; Y195-T199 PolarHBondContact O-N 3.2Å; Y195-T199 PolarHBondContact O-OG1 3.43Å; L196-T199 PolarHBondContact O-N 3.24Å; T199-S202 WeakPolarHBondContact O-CB 3.49Å; T199-S202 PolarHBondContact O-N 3.33Å; T199-S202 PolarHBondContact O-OG 2.89Å; T199-A505 WeakPolarHBondContact OG1-CB 3.34Å; T199-C540 HydrophobicContact CG2-CB 4.39Å; T199-C540 WeakPolarHBondContact CG2-O 3.36Å; T199-C540 WeakPolarHBondContact CG2-SG 3.31Å; T199-C540 PolarHBondContact OG1-SG 3.2Å; T199-I543 HydrophobicContact CG2-CB 3.63Å; T199-I543 HydrophobicContact CG2-CG2 3.6Å; T199-A544 HydrophobicContact CG2-CB 4.34Å
200	I	93.4	Very high	92	Very high	15 Å²	15	8 Å²	8	8%	0.077	4%	0.043	C	C	.	.	H	α-helix	trans	-71.1	-34.4	177.4	-61.1	167	0	0	0	110.8	L196 G197 S202 A203 M204 I543 L556 L559 I560 F563	L196-I200 WeakPolarHBondContact O-CG1 3.39Å; L196-I200 PolarHBondContact O-N 3.29Å; G197-I200 PolarHBondContact O-N 3.43Å; I200-S202 VanDerWaalsContact C-N 3.26Å; I200-S202 PolarHBondContact O-N 3.15Å; I200-A203 WeakPolarHBondContact O-CB 3.38Å; I200-A203 PolarHBondContact O-N 3.46Å; I200-M204 PolarHBondContact O-N 2.92Å; I200-M204 VanDerWaalsContact O-N 3.07Å; I200-I543 HydrophobicContact CG1-CG2 4.37Å; I200-L556 HydrophobicContact CG2-CD2 3.95Å; I200-L559 HydrophobicContact CD1-CD2 3.94Å; I200-L559 HydrophobicContact CD1-CG 4.2Å; I200-L559 HydrophobicContact CG2-CD2 4.24Å; I200-I560 HydrophobicContact CB-CG1 4.1Å; I200-I560 HydrophobicContact CG2-CD1 4.03Å; I200-I560 HydrophobicContact CG2-CG1 3.54Å; I200-F563 HydrophobicContact CD1-CD2 3.81Å; I200-F563 HydrophobicContact CD1-CE2 3.36Å; I200-F563 HydrophobicContact CD1-CZ 4.29Å
201	A	92.2	Very high	91.9	Very high	4 Å²	4	8.6 Å²	8.6	3%	0.033	5%	0.045	C	C	.	.	H	α-helix	trans	-59.2	-37.2	172.3	0	0	0	0	0	112.2	G197 T198 A203 M204 Y205 I560	G197-A201 VanDerWaalsContact O-CB 3.29Å; G197-A201 WeakPolarHBondContact O-CB 3.17Å; G197-A201 PolarHBondContact O-N 3.11Å; T198-A201 PolarHBondContact O-N 2.9Å; A201-A203 VanDerWaalsContact C-N 3.29Å; A201-A203 PolarHBondContact O-N 3.46Å; A201-M204 WeakPolarHBondContact O-CB 3.34Å; A201-M204 PolarHBondContact O-N 3.15Å; A201-M204 VanDerWaalsContact O-N 3.15Å; A201-Y205 HydrophobicContact CB-CE2 4.03Å; A201-Y205 WeakPolarHBondContact O-CD2 3.3Å; A201-Y205 PolarHBondContact O-N 3.22Å; A201-I560 HydrophobicContact CB-CD1 4.39Å
202	S	91.9	Very high	91.9	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-57.6	-41.9	173.3	81.9	0	0	0	0	112	T198 T199 I200 Y205 L206	T198-S202 PolarHBondContact O-N 3.5Å; T199-S202 WeakPolarHBondContact O-CB 3.49Å; T199-S202 PolarHBondContact O-N 3.33Å; T199-S202 PolarHBondContact O-OG 2.89Å; I200-S202 VanDerWaalsContact C-N 3.26Å; I200-S202 PolarHBondContact O-N 3.15Å; S202-Y205 PolarHBondContact O-N 3.39Å; S202-L206 VanDerWaalsContact O-CG 3.3Å; S202-L206 WeakPolarHBondContact O-CG 3.42Å; S202-L206 PolarHBondContact O-N 3.07Å; S202-L206 VanDerWaalsContact O-N 3.11Å
203	A	93.6	Very high	91.9	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-64.8	-42.3	175.8	0	0	0	0	0	111.8	I200 A201 Y205 L206 V207 A544 I548	I200-A203 WeakPolarHBondContact O-CB 3.38Å; I200-A203 PolarHBondContact O-N 3.46Å; A201-A203 VanDerWaalsContact C-N 3.29Å; A201-A203 PolarHBondContact O-N 3.46Å; A203-Y205 PolarHBondContact O-N 3.09Å; A203-L206 PolarHBondContact O-N 3.41Å; A203-V207 WeakPolarHBondContact O-CB 3.44Å; A203-V207 VanDerWaalsContact O-CG2 3.24Å; A203-V207 WeakPolarHBondContact O-CG2 3.36Å; A203-V207 PolarHBondContact O-N 3.03Å; A203-A544 WeakPolarHBondContact CB-O 3.34Å; A203-I548 HydrophobicContact CB-CG1 3.98Å
204	M	92.7	Very high	91.7	Very high	3 Å²	3	10.3 Å²	10.3	2%	0.015	5%	0.051	C	C	.	.	H	α-helix	trans	-59.2	-44.9	176.1	-178.3	-168.2	74.8	0	0	112.1	I200 A201 G208 P408 I553 I560	I200-M204 PolarHBondContact O-N 2.92Å; I200-M204 VanDerWaalsContact O-N 3.07Å; A201-M204 WeakPolarHBondContact O-CB 3.34Å; A201-M204 PolarHBondContact O-N 3.15Å; A201-M204 VanDerWaalsContact O-N 3.15Å; M204-G208 PolarHBondContact O-N 3.48Å; M204-P408 HydrophobicContact CE-CB 4.14Å; M204-P408 HydrophobicContact SD-CB 4.11Å; M204-P408 HydrophobicContact SD-CG 4.38Å; M204-I553 HydrophobicContact CG-CG2 4.18Å; M204-I560 HydrophobicContact CB-CD1 3.58Å; M204-I560 HydrophobicContact CE-CD1 4.43Å; M204-I560 HydrophobicContact CG-CD1 4.08Å; M204-I560 HydrophobicContact SD-CD1 3.6Å; M204-I560 VanDerWaalsContact SD-CD1 3.6Å
205	Y	92.2	Very high	91.4	Very high	9 Å²	9	11.3 Å²	11.3	4%	0.035	6%	0.055	C	C	.	.	H	α-helix	trans	-65.6	-39.7	178.6	-62	-52	0	0	0	112.4	A201 S202 A203 G208 A209 T494 A497	A201-Y205 HydrophobicContact CB-CE2 4.03Å; A201-Y205 WeakPolarHBondContact O-CD2 3.3Å; A201-Y205 PolarHBondContact O-N 3.22Å; S202-Y205 PolarHBondContact O-N 3.39Å; A203-Y205 PolarHBondContact O-N 3.09Å; Y205-G208 PolarHBondContact O-N 2.73Å; Y205-A209 PolarHBondContact O-N 3.05Å; Y205-T494 WeakPolarHBondContact CB-O 3.48Å; Y205-A497 HydrophobicContact CD1-CB 4.06Å; Y205-A497 HydrophobicContact CD2-CB 3.82Å; Y205-A497 HydrophobicContact CE1-CB 4.17Å; Y205-A497 HydrophobicContact CE2-CB 3.95Å; Y205-A497 HydrophobicContact CG-CB 3.9Å
206	L	93.5	Very high	91.1	Very high	1 Å²	1	12 Å²	12	1%	0.005	6%	0.058	C	C	.	.	H	α-helix	trans	-71.8	-42.9	178.9	-63.9	-179.9	0	0	0	112.7	S202 A203 G208 A209 V210 L244 L245 V248 I548	S202-L206 VanDerWaalsContact O-CG 3.3Å; S202-L206 WeakPolarHBondContact O-CG 3.42Å; S202-L206 PolarHBondContact O-N 3.07Å; S202-L206 VanDerWaalsContact O-N 3.11Å; A203-L206 PolarHBondContact O-N 3.41Å; L206-G208 PolarHBondContact O-N 3.35Å; L206-A209 PolarHBondContact O-N 3.33Å; L206-V210 WeakPolarHBondContact O-CG2 3.5Å; L206-V210 PolarHBondContact O-N 2.86Å; L206-L244 HydrophobicContact CB-CD2 4.29Å; L206-L244 HydrophobicContact CD2-CD2 3.87Å; L206-L244 HydrophobicContact CD2-CG 4.06Å; L206-L245 HydrophobicContact CD1-CB 3.95Å; L206-L245 HydrophobicContact CD1-CD1 3.52Å; L206-L245 HydrophobicContact CD1-CG 4.34Å; L206-V248 HydrophobicContact CD2-CG2 3.97Å; L206-I548 HydrophobicContact CB-CD1 4.43Å; L206-I548 HydrophobicContact CD1-CD1 4.26Å
207	V	93.1	Very high	91	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-58.2	-40.9	171.4	170.3	0	0	0	0	109.8	A203 V210 E211 T237 I548 I553 L556	A203-V207 WeakPolarHBondContact O-CB 3.44Å; A203-V207 VanDerWaalsContact O-CG2 3.24Å; A203-V207 WeakPolarHBondContact O-CG2 3.36Å; A203-V207 PolarHBondContact O-N 3.03Å; V207-V210 PolarHBondContact O-N 2.72Å; V207-E211 PolarHBondContact O-N 3.32Å; V207-T237 HydrophobicContact CG1-CG2 3.8Å; V207-I548 HydrophobicContact CG2-CB 4.43Å; V207-I548 HydrophobicContact CG2-CG1 4.15Å; V207-I548 HydrophobicContact CG2-CG2 4.48Å; V207-I553 HydrophobicContact CB-CG1 4.46Å; V207-I553 HydrophobicContact CG1-CG1 3.68Å; V207-L556 HydrophobicContact CB-CD1 4.44Å; V207-L556 HydrophobicContact CG2-CD1 4.12Å
208	G	90.8	Very high	90.8	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-60.1	-46.7	173.6	0	0	0	0	0	114.9	I124 M204 Y205 L206 V210 E211 V212	I124-G208 VanDerWaalsContact CD1-O 3.29Å; I124-G208 WeakPolarHBondContact CD1-O 3.39Å; M204-G208 PolarHBondContact O-N 3.48Å; Y205-G208 PolarHBondContact O-N 2.73Å; L206-G208 PolarHBondContact O-N 3.35Å; G208-V210 VanDerWaalsContact C-N 3.25Å; G208-V210 PolarHBondContact O-N 3.45Å; G208-E211 PolarHBondContact O-N 2.88Å; G208-V212 WeakPolarHBondContact O-CG2 3.36Å; G208-V212 PolarHBondContact O-N 2.78Å
209	A	91.8	Very high	90.2	Very high	2 Å²	2	19.4 Å²	19.4	2%	0.017	10%	0.095	C	C	.	.	H	α-helix	trans	-59.8	-39.1	175.7	0	0	0	0	0	111.5	Y205 L206 F213 L244 T494 I495	Y205-A209 PolarHBondContact O-N 3.05Å; L206-A209 PolarHBondContact O-N 3.33Å; A209-F213 VanDerWaalsContact O-CB 3.26Å; A209-F213 WeakPolarHBondContact O-CB 3.41Å; A209-F213 PolarHBondContact O-N 3.21Å; A209-L244 HydrophobicContact CB-CD2 4Å; A209-T494 WeakPolarHBondContact CB-OG1 3.3Å; A209-I495 HydrophobicContact CB-CG1 3.93Å
210	V	92.4	Very high	89.7	Confident	6 Å²	6	28.4 Å²	28.4	4%	0.036	14%	0.137	C	C	.	.	H	α-helix	trans	-71	-40.1	178	173.4	0	0	0	0	112.1	L206 V207 G208 V212 F213 L214 T237 L244	L206-V210 WeakPolarHBondContact O-CG2 3.5Å; L206-V210 PolarHBondContact O-N 2.86Å; V207-V210 PolarHBondContact O-N 2.72Å; G208-V210 VanDerWaalsContact C-N 3.25Å; G208-V210 PolarHBondContact O-N 3.45Å; V210-V212 VanDerWaalsContact C-N 3.31Å; V210-V212 PolarHBondContact O-N 3.15Å; V210-F213 PolarHBondContact O-N 2.81Å; V210-L214 HydrophobicContact CG1-CD1 3.56Å; V210-L214 HydrophobicContact CG1-CG 4.04Å; V210-L214 WeakPolarHBondContact O-CB 3.32Å; V210-L214 WeakPolarHBondContact O-CG 3.23Å; V210-L214 PolarHBondContact O-N 3.39Å; V210-T237 HydrophobicContact CG1-CG2 4.16Å; V210-L244 HydrophobicContact CG2-CB 4.47Å; V210-L244 HydrophobicContact CG2-CD2 3.9Å
211	E	88.8	Confident	89.1	Confident	17 Å²	17	29 Å²	29	8%	0.079	14%	0.144	C	C	.	.	H	α-helix	trans	-57.2	-47.9	173.3	-176.3	173.9	142.9	0	0	109.9	R129 V207 G208 F213 K215 I553	R129-E211 IonicContact CZ-OE1 3.27Å; R129-E211 IonicContact NH1-OE1 2.62Å; R129-E211 PolarHBondContact NH1-OE1 2.85Å; R129-E211 IonicContact NH2-OE1 3.96Å; R129-E211 PolarHBondContact NH2-OE1 2.79Å; R129-E211 IonicContact NH2-OE2 2.67Å; R129-E211 PolarHBondContact NH2-OE2 2.78Å; V207-E211 PolarHBondContact O-N 3.32Å; G208-E211 PolarHBondContact O-N 2.88Å; E211-F213 PolarHBondContact O-N 2.92Å; E211-K215 WeakPolarHBondContact O-CB 3.35Å; E211-K215 PolarHBondContact O-N 2.98Å; E211-I553 HydrophobicContact CB-CD1 4.35Å; E211-I553 WeakPolarHBondContact OE2-CD1 3.36Å
212	V	89.4	Confident	88.5	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.3	-42.3	178.3	173.5	0	0	0	0	111.9	I124 V128 G208 V210 Y216 L487	I124-V212 HydrophobicContact CD1-CG2 4.14Å; V128-V212 HydrophobicContact CG2-CG2 3.96Å; G208-V212 WeakPolarHBondContact O-CG2 3.36Å; G208-V212 PolarHBondContact O-N 2.78Å; V210-V212 VanDerWaalsContact C-N 3.31Å; V210-V212 PolarHBondContact O-N 3.15Å; V212-Y216 HydrophobicContact CB-CD2 4.4Å; V212-Y216 HydrophobicContact CG1-CD2 4.27Å; V212-Y216 HydrophobicContact CG2-CD2 4.48Å; V212-Y216 WeakPolarHBondContact O-CB 3.39Å; V212-Y216 PolarHBondContact O-N 2.91Å; V212-Y216 VanDerWaalsContact O-N 3.09Å; V212-L487 HydrophobicContact CG1-CD1 3.33Å
213	F	90.8	Very high	88	Confident	71 Å²	71	35.9 Å²	35.9	31%	0.311	18%	0.183	S	C	.	.	I	π-helix	trans	-65	-49.9	-179.8	179.6	-98.9	0	0	0	112.7	A209 V210 E211 I217 F218	A209-F213 VanDerWaalsContact O-CB 3.26Å; A209-F213 WeakPolarHBondContact O-CB 3.41Å; A209-F213 PolarHBondContact O-N 3.21Å; V210-F213 PolarHBondContact O-N 2.81Å; E211-F213 PolarHBondContact O-N 2.92Å; F213-I217 HydrophobicContact CD2-CB 4.43Å; F213-I217 HydrophobicContact CD2-CD1 4.19Å; F213-I217 WeakPolarHBondContact O-CB 3.41Å; F213-I217 PolarHBondContact O-N 2.93Å; F213-F218 HydrophobicContact CD2-CD2 4.32Å; F213-F218 AromaticContact CE2-CD2 3.56Å; F213-F218 HydrophobicContact CE2-CD2 3.56Å; F213-F218 HydrophobicContact CE2-CE2 4.13Å; F213-F218 HydrophobicContact CZ-CB 4.42Å; F213-F218 AromaticContact CZ-CD2 3.74Å; F213-F218 HydrophobicContact CZ-CD2 3.74Å; F213-F218 HydrophobicContact CZ-CG 4.48Å; F213-F218 PolarHBondContact O-N 3.28Å
214	L	88.2	Confident	87.4	Confident	4 Å²	4	41.2 Å²	41.2	2%	0.021	21%	0.206	C	C	.	.	I	π-helix	trans	-75	-37.2	-175.6	-68.3	176.3	0	0	0	112.9	V210 P219 A221 N236 Y240	V210-L214 HydrophobicContact CG1-CD1 3.56Å; V210-L214 HydrophobicContact CG1-CG 4.04Å; V210-L214 WeakPolarHBondContact O-CB 3.32Å; V210-L214 WeakPolarHBondContact O-CG 3.23Å; V210-L214 PolarHBondContact O-N 3.39Å; L214-P219 WeakPolarHBondContact O-CA 3.49Å; L214-A221 HydrophobicContact CD2-CB 4.42Å; L214-N236 HydrophobicContact CD1-CB 3.9Å; L214-Y240 HydrophobicContact CD1-CD2 3.78Å; L214-Y240 HydrophobicContact CD1-CE2 4.44Å; L214-Y240 HydrophobicContact CD1-CG 4.38Å; L214-Y240 HydrophobicContact CD2-CD2 3.66Å; L214-Y240 HydrophobicContact CD2-CE2 3.62Å; L214-Y240 HydrophobicContact CD2-CG 4.22Å; L214-Y240 HydrophobicContact CG-CD2 4.24Å
215	K	84.2	Confident	86.4	Confident	35 Å²	35	43 Å²	43	15%	0.152	23%	0.226	C	C	.	.	I	π-helix	trans	-81.8	-42.7	-178.8	-77.6	-80.2	-173.9	176.5	0	112.7	E211 I227 L233	E211-K215 WeakPolarHBondContact O-CB 3.35Å; E211-K215 PolarHBondContact O-N 2.98Å; K215-I227 HydrophobicContact CD-CG2 3.72Å; K215-I227 HydrophobicContact CG-CG2 4.5Å; K215-I227 PolarHBondContact NZ-O 2.88Å; K215-L233 HydrophobicContact CG-CD1 4.49Å
216	Y	87.1	Confident	85.2	Confident	24 Å²	24	47.8 Å²	47.8	9%	0.094	25%	0.252	C	S	.	.	I	π-helix	trans	-108.8	-24.5	-166.6	-55.4	-61.1	0	0	0	114.9	V212 F465 G471 L473 L487	V212-Y216 HydrophobicContact CB-CD2 4.4Å; V212-Y216 HydrophobicContact CG1-CD2 4.27Å; V212-Y216 HydrophobicContact CG2-CD2 4.48Å; V212-Y216 WeakPolarHBondContact O-CB 3.39Å; V212-Y216 PolarHBondContact O-N 2.91Å; V212-Y216 VanDerWaalsContact O-N 3.09Å; Y216-F465 WeakPolarHBondContact CE1-O 3.29Å; Y216-G471 VanDerWaalsContact CD1-O 3.24Å; Y216-G471 WeakPolarHBondContact CD1-O 3.5Å; Y216-L473 HydrophobicContact CD1-CB 4.3Å; Y216-L473 HydrophobicContact CD2-CB 4.23Å; Y216-L473 HydrophobicContact CE1-CB 4.11Å; Y216-L473 VanDerWaalsContact CE1-N 3.33Å; Y216-L473 HydrophobicContact CE2-CB 4.07Å; Y216-L473 HydrophobicContact CE2-CD1 3.7Å; Y216-L473 HydrophobicContact CE2-CG 4.45Å; Y216-L473 HydrophobicContact CG-CB 4.37Å; Y216-L487 HydrophobicContact CG-CD1 4.42Å; Y216-L487 WeakPolarHBondContact O-CD2 3.28Å
217	I	88.2	Confident	83.8	Confident	34 Å²	34	48.6 Å²	48.6	17%	0.174	26%	0.256	C	S	.	.	I	π-helix	trans	-99.3	-57.1	-177.2	-50.3	-176.8	0	0	0	111.1	F213 W484 L487	F213-I217 HydrophobicContact CD2-CB 4.43Å; F213-I217 HydrophobicContact CD2-CD1 4.19Å; F213-I217 WeakPolarHBondContact O-CB 3.41Å; F213-I217 PolarHBondContact O-N 2.93Å; I217-W484 HydrophobicContact CG2-CZ3 4.14Å; I217-L487 HydrophobicContact CD1-CD1 4.05Å; I217-L487 HydrophobicContact CD1-CG 4.06Å; I217-L487 HydrophobicContact CG1-CD1 3.58Å; I217-L487 HydrophobicContact CG1-CD2 3.79Å; I217-L487 HydrophobicContact CG1-CG 3.61Å
218	F	87.5	Confident	82.4	Confident	116 Å²	116	51.7 Å²	51.7	51%	0.509	28%	0.275	S	S	.	.			trans	-133	73.6	-174.2	-69.6	-71.4	0	0	0	111.7	F213 Q220 A221	F213-F218 HydrophobicContact CD2-CD2 4.32Å; F213-F218 AromaticContact CE2-CD2 3.56Å; F213-F218 HydrophobicContact CE2-CD2 3.56Å; F213-F218 HydrophobicContact CE2-CE2 4.13Å; F213-F218 HydrophobicContact CZ-CB 4.42Å; F213-F218 AromaticContact CZ-CD2 3.74Å; F213-F218 HydrophobicContact CZ-CD2 3.74Å; F213-F218 HydrophobicContact CZ-CG 4.48Å; F213-F218 PolarHBondContact O-N 3.28Å; F218-Q220 PolarHBondContact O-N 2.86Å; F218-A221 HydrophobicContact CB-CB 4.3Å; F218-A221 WeakPolarHBondContact O-CB 3.15Å; F218-A221 PolarHBondContact O-N 2.86Å
219	P	79.9	Confident	81.5	Confident	66 Å²	66	54.1 Å²	54.1	43%	0.429	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-63	-22.2	175.8	26.1	-34.3	0	0	0	113.2	L214 A221 I227	L214-P219 WeakPolarHBondContact O-CA 3.49Å; P219-A221 PolarHBondContact O-N 3.39Å; P219-I227 HydrophobicContact CB-CD1 3.92Å; P219-I227 WeakPolarHBondContact O-CD1 3.42Å
220	Q	81.5	Confident	80.6	Confident	190 Å²	190	56 Å²	56	89%	0.888	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-71	-11.5	178	-61.1	178	-6	0	0	113.7	F218 S222	F218-Q220 PolarHBondContact O-N 2.86Å; Q220-S222 VanDerWaalsContact C-N 3.26Å; Q220-S222 PolarHBondContact O-N 3.1Å
221	A	82.5	Confident	80	Confident	28 Å²	28	58.7 Å²	58.7	23%	0.231	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-84.6	13.2	-176.9	0	0	0	0	0	113.8	L214 F218 P219 L223 Y240	L214-A221 HydrophobicContact CD2-CB 4.42Å; F218-A221 HydrophobicContact CB-CB 4.3Å; F218-A221 WeakPolarHBondContact O-CB 3.15Å; F218-A221 PolarHBondContact O-N 2.86Å; P219-A221 PolarHBondContact O-N 3.39Å; A221-L223 PolarHBondContact O-N 2.95Å; A221-Y240 WeakPolarHBondContact O-CE2 3.49Å; A221-Y240 PolarHBondContact O-OH 3.08Å
222	S	79.5	Confident	79.6	Confident	38 Å²	38	58.2 Å²	58.2	27%	0.266	32%	0.324	S	S	.	.			trans	-71.4	126.1	178.2	64.1	0	0	0	0	111.9	Q220 G225 I227	Q220-S222 VanDerWaalsContact C-N 3.26Å; Q220-S222 PolarHBondContact O-N 3.1Å; S222-G225 VanDerWaalsContact CB-O 3.28Å; S222-G225 WeakPolarHBondContact CB-O 3.47Å; S222-G225 PolarHBondContact OG-O 3.15Å; S222-I227 VanDerWaalsContact CB-CG1 3.47Å
223	L	81	Confident	79.3	Confident	109 Å²	109	58.9 Å²	58.9	57%	0.571	33%	0.327	S	S	*	.	S	Bend	trans	-86.1	-34.9	-179.3	-76.5	148.8	0	0	0	111.9	A221 N236 V239 Y240	A221-L223 PolarHBondContact O-N 2.95Å; L223-N236 PolarHBondContact N-OD1 3.36Å; L223-V239 HydrophobicContact CD1-CG1 4.14Å; L223-Y240 HydrophobicContact CD1-CE2 3.77Å
224	F	80.2	Confident	79.1	Confident	112 Å²	112	58 Å²	58	49%	0.491	32%	0.323	S	S	.	.	S	Bend	trans	-104.2	28.7	-170.7	-60.3	-70.2	0	0	0	114.3	A232 N235 N236 V239	F224-A232 HydrophobicContact CB-CB 4.39Å; F224-A232 WeakPolarHBondContact O-CB 3.41Å; F224-N235 HydrophobicContact CB-CB 4.49Å; F224-N235 HydrophobicContact CD2-CB 3.64Å; F224-N235 HydrophobicContact CE2-CB 4.07Å; F224-N235 HydrophobicContact CG-CB 4.12Å; F224-N236 VanDerWaalsContact CD2-OD1 3.29Å; F224-N236 WeakPolarHBondContact CD2-OD1 3.18Å; F224-N236 PolarHBondContact N-OD1 3.01Å; F224-N236 VanDerWaalsContact N-OD1 3.16Å; F224-V239 HydrophobicContact CE2-CG2 3.78Å; F224-V239 HydrophobicContact CZ-CG2 4.22Å
225	G	71.7	Confident	79.2	Confident	42 Å²	42	60.6 Å²	60.6	43%	0.433	34%	0.337	S	S	.	.	S	Bend	trans	95.7	-157	176.9	0	0	0	0	0	114.1	S222 I227	S222-G225 VanDerWaalsContact CB-O 3.28Å; S222-G225 WeakPolarHBondContact CB-O 3.47Å; S222-G225 PolarHBondContact OG-O 3.15Å; G225-I227 PolarHBondContact O-N 2.83Å
226	D	66.9	Low	79.5	Confident	109 Å²	109	59 Å²	59	58%	0.583	33%	0.331	S	S	*	.			trans	-69.2	128.8	-170.6	-167.6	9	0	0	0	112.2	T228 S229	D226-T228 PolarHBondContact O-N 3.45Å; D226-T228 VanDerWaalsContact O-N 3.17Å; D226-T228 PolarHBondContact OD2-OG1 3.09Å; D226-S229 PolarHBondContact O-N 3.4Å; D226-S229 VanDerWaalsContact O-N 3.16Å; D226-S229 PolarHBondContact O-OG 2.65Å; D226-S229 VanDerWaalsContact O-OG 3.04Å
227	I	64.3	Low	79.6	Confident	17 Å²	17	58.1 Å²	58.1	9%	0.087	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-6.8	-172.8	-56.1	164.6	0	0	0	111.8	K215 P219 S222 G225 S229 L233	K215-I227 HydrophobicContact CD-CG2 3.72Å; K215-I227 HydrophobicContact CG-CG2 4.5Å; K215-I227 PolarHBondContact NZ-O 2.88Å; P219-I227 HydrophobicContact CB-CD1 3.92Å; P219-I227 WeakPolarHBondContact O-CD1 3.42Å; S222-I227 VanDerWaalsContact CB-CG1 3.47Å; G225-I227 PolarHBondContact O-N 2.83Å; I227-S229 PolarHBondContact O-N 3.22Å; I227-L233 HydrophobicContact CG2-CD1 3.95Å
228	T	64.1	Low	79.9	Confident	65 Å²	65	60.8 Å²	60.8	40%	0.399	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-19.8	170.5	59.7	0	0	0	0	112.3	D226 R384	D226-T228 PolarHBondContact O-N 3.45Å; D226-T228 VanDerWaalsContact O-N 3.17Å; D226-T228 PolarHBondContact OD2-OG1 3.09Å; T228-R384 PolarHBondContact O-NH1 3.41Å
229	S	71.5	Confident	80.2	Confident	52 Å²	52	57.8 Å²	57.8	36%	0.364	33%	0.326	S	S	.	.	S	Bend	trans	-91.7	128	176.3	70.4	0	0	0	0	112.2	D226 I227 A231 A232 L233	D226-S229 PolarHBondContact O-N 3.4Å; D226-S229 VanDerWaalsContact O-N 3.16Å; D226-S229 PolarHBondContact O-OG 2.65Å; D226-S229 VanDerWaalsContact O-OG 3.04Å; I227-S229 PolarHBondContact O-N 3.22Å; S229-A231 PolarHBondContact O-N 3.07Å; S229-A232 PolarHBondContact O-N 3.48Å; S229-A232 WeakPolarHBondContact OG-CB 3.22Å; S229-L233 PolarHBondContact O-N 3.47Å
230	D	72.4	Confident	80.8	Confident	40 Å²	40	57.1 Å²	57.1	21%	0.214	32%	0.316	C	S	.	.	H	α-helix	trans	-55.6	-40	-179	-66.4	10.1	0	0	0	111.5	L233 F234 K371 R384	D230-L233 PolarHBondContact O-N 2.67Å; D230-F234 HydrophobicContact CB-CD2 4.48Å; D230-F234 HydrophobicContact CB-CE2 3.91Å; D230-F234 HydrophobicContact CB-CZ 4.43Å; D230-F234 WeakPolarHBondContact O-CD2 3.05Å; D230-F234 VanDerWaalsContact O-CG 3.25Å; D230-F234 WeakPolarHBondContact O-CG 3.39Å; D230-F234 PolarHBondContact O-N 2.69Å; D230-K371 IonicContact OD2-NZ 2.64Å; D230-K371 PolarHBondContact OD2-NZ 2.92Å; D230-R384 IonicContact OD1-CZ 2.83Å; D230-R384 IonicContact OD1-NH1 3.13Å; D230-R384 PolarHBondContact OD1-NH1 3.43Å; D230-R384 IonicContact OD1-NH2 2.72Å; D230-R384 PolarHBondContact OD1-NH2 3.39Å
231	A	79.3	Confident	81.4	Confident	64 Å²	64	48.1 Å²	48.1	53%	0.529	27%	0.274	S	S	.	.	H	α-helix	trans	-66.4	-42.5	-178.4	0	0	0	0	0	112.9	S229 N235	S229-A231 PolarHBondContact O-N 3.07Å; A231-N235 PolarHBondContact O-N 3.08Å; A231-N235 VanDerWaalsContact O-N 3.14Å; A231-N235 PolarHBondContact O-ND2 2.99Å
232	A	81.7	Confident	82	Confident	6 Å²	6	48.7 Å²	48.7	5%	0.05	27%	0.274	C	S	.	.	H	α-helix	trans	-67.4	-41.6	176.1	0	0	0	0	0	110.6	F224 S229 F234 N235 N236	F224-A232 HydrophobicContact CB-CB 4.39Å; F224-A232 WeakPolarHBondContact O-CB 3.41Å; S229-A232 PolarHBondContact O-N 3.48Å; S229-A232 WeakPolarHBondContact OG-CB 3.22Å; A232-F234 PolarHBondContact O-N 3.34Å; A232-N235 PolarHBondContact O-N 3.26Å; A232-N236 WeakPolarHBondContact O-CB 3.45Å; A232-N236 VanDerWaalsContact O-CG 3.24Å; A232-N236 PolarHBondContact O-N 3.41Å; A232-N236 PolarHBondContact O-ND2 2.99Å
233	L	82.2	Confident	82.7	Confident	15 Å²	15	51.3 Å²	51.3	8%	0.079	28%	0.284	C	S	.	.	H	α-helix	trans	-57.8	-49.2	176.7	179.2	61	0	0	0	111.2	K215 I227 S229 D230 N235 N236 T237 F465	K215-L233 HydrophobicContact CG-CD1 4.49Å; I227-L233 HydrophobicContact CG2-CD1 3.95Å; S229-L233 PolarHBondContact O-N 3.47Å; D230-L233 PolarHBondContact O-N 2.67Å; L233-N235 PolarHBondContact O-N 3.22Å; L233-N236 PolarHBondContact O-N 3.44Å; L233-T237 WeakPolarHBondContact O-CB 3.33Å; L233-T237 PolarHBondContact O-N 3.3Å; L233-T237 PolarHBondContact O-OG1 3.29Å; L233-F465 HydrophobicContact CD2-CZ 4.45Å
234	F	86.5	Confident	83.3	Confident	51 Å²	51	47.9 Å²	47.9	22%	0.224	27%	0.267	C	S	.	.	H	α-helix	trans	-62.6	-40.7	178.7	-62.9	-40.1	0	0	0	112.6	D230 A232 T237 R238 A551	D230-F234 HydrophobicContact CB-CD2 4.48Å; D230-F234 HydrophobicContact CB-CE2 3.91Å; D230-F234 HydrophobicContact CB-CZ 4.43Å; D230-F234 WeakPolarHBondContact O-CD2 3.05Å; D230-F234 VanDerWaalsContact O-CG 3.25Å; D230-F234 WeakPolarHBondContact O-CG 3.39Å; D230-F234 PolarHBondContact O-N 2.69Å; A232-F234 PolarHBondContact O-N 3.34Å; F234-T237 PolarHBondContact O-N 2.59Å; F234-R238 VanDerWaalsContact O-CG 3.24Å; F234-R238 WeakPolarHBondContact O-CG 3.33Å; F234-R238 PolarHBondContact O-N 3.3Å; F234-A551 HydrophobicContact CB-CB 3.94Å; F234-A551 HydrophobicContact CD1-CB 4.26Å; F234-A551 WeakPolarHBondContact CD1-O 3.3Å; F234-A551 HydrophobicContact CG-CB 4.44Å; F234-A551 WeakPolarHBondContact O-CB 3.34Å
235	N	90	Very high	84	Confident	60 Å²	60	42.6 Å²	42.6	32%	0.321	24%	0.243	S	C	.	.	H	α-helix	trans	-67.6	-40.6	178.4	-72.5	-19.8	0	0	0	112.6	F224 A231 A232 L233 R238 V239	F224-N235 HydrophobicContact CB-CB 4.49Å; F224-N235 HydrophobicContact CD2-CB 3.64Å; F224-N235 HydrophobicContact CE2-CB 4.07Å; F224-N235 HydrophobicContact CG-CB 4.12Å; A231-N235 PolarHBondContact O-N 3.08Å; A231-N235 VanDerWaalsContact O-N 3.14Å; A231-N235 PolarHBondContact O-ND2 2.99Å; A232-N235 PolarHBondContact O-N 3.26Å; L233-N235 PolarHBondContact O-N 3.22Å; N235-R238 PolarHBondContact O-N 2.91Å; N235-R238 PolarHBondContact OD1-NH1 3.27Å; N235-V239 PolarHBondContact O-N 2.85Å
236	N	90.5	Very high	85.1	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.011	25%	0.248	C	C	.	.	H	α-helix	trans	-61.2	-46.9	173.2	-70.4	-41.9	0	0	0	110.4	L214 L223 F224 A232 L233 R238 V239 Y240	L214-N236 HydrophobicContact CD1-CB 3.9Å; L223-N236 PolarHBondContact N-OD1 3.36Å; F224-N236 VanDerWaalsContact CD2-OD1 3.29Å; F224-N236 WeakPolarHBondContact CD2-OD1 3.18Å; F224-N236 PolarHBondContact N-OD1 3.01Å; F224-N236 VanDerWaalsContact N-OD1 3.16Å; A232-N236 WeakPolarHBondContact O-CB 3.45Å; A232-N236 VanDerWaalsContact O-CG 3.24Å; A232-N236 PolarHBondContact O-N 3.41Å; A232-N236 PolarHBondContact O-ND2 2.99Å; L233-N236 PolarHBondContact O-N 3.44Å; N236-R238 VanDerWaalsContact C-N 3.29Å; N236-R238 PolarHBondContact O-N 3.46Å; N236-V239 PolarHBondContact O-N 3.12Å; N236-Y240 HydrophobicContact CB-CD2 4.48Å; N236-Y240 VanDerWaalsContact O-CD2 3.31Å; N236-Y240 WeakPolarHBondContact O-CD2 3.34Å; N236-Y240 PolarHBondContact O-N 2.88Å
237	T	89.8	Confident	86.3	Confident	5 Å²	5	44.4 Å²	44.4	3%	0.031	24%	0.24	C	C	.	.	H	α-helix	trans	-60.7	-36.2	178.5	-59.9	0	0	0	0	112.6	V207 V210 L233 F234 G241	V207-T237 HydrophobicContact CG1-CG2 3.8Å; V210-T237 HydrophobicContact CG1-CG2 4.16Å; L233-T237 WeakPolarHBondContact O-CB 3.33Å; L233-T237 PolarHBondContact O-N 3.3Å; L233-T237 PolarHBondContact O-OG1 3.29Å; F234-T237 PolarHBondContact O-N 2.59Å; T237-G241 VanDerWaalsContact O-CA 3.31Å; T237-G241 WeakPolarHBondContact O-CA 3.28Å; T237-G241 PolarHBondContact O-N 3.29Å
238	R	93.9	Very high	87.5	Confident	90 Å²	90	43.8 Å²	43.8	34%	0.34	24%	0.237	S	C	.	.	H	α-helix	trans	-63.1	-48.4	174.7	-72	166.8	179.9	150.9	1.4	112.1	F234 N235 N236 T242 L549 A551	F234-R238 VanDerWaalsContact O-CG 3.24Å; F234-R238 WeakPolarHBondContact O-CG 3.33Å; F234-R238 PolarHBondContact O-N 3.3Å; N235-R238 PolarHBondContact O-N 2.91Å; N235-R238 PolarHBondContact OD1-NH1 3.27Å; N236-R238 VanDerWaalsContact C-N 3.29Å; N236-R238 PolarHBondContact O-N 3.46Å; R238-T242 WeakPolarHBondContact O-CB 3.35Å; R238-T242 PolarHBondContact O-N 2.85Å; R238-T242 PolarHBondContact O-OG1 2.87Å; R238-L549 PolarHBondContact NE-O 3.4Å; R238-L549 PolarHBondContact NH2-O 2.89Å; R238-A551 HydrophobicContact CG-CB 3.57Å
239	V	93.8	Very high	88.7	Confident	52 Å²	52	41 Å²	41	32%	0.315	22%	0.22	S	C	.	.	H	α-helix	trans	-67.2	-54.1	-177.4	174.1	0	0	0	0	110.4	L223 F224 N235 N236 G241 T242 I243	L223-V239 HydrophobicContact CD1-CG1 4.14Å; F224-V239 HydrophobicContact CE2-CG2 3.78Å; F224-V239 HydrophobicContact CZ-CG2 4.22Å; N235-V239 PolarHBondContact O-N 2.85Å; N236-V239 PolarHBondContact O-N 3.12Å; V239-G241 VanDerWaalsContact C-N 3.33Å; V239-G241 PolarHBondContact O-N 3.37Å; V239-T242 PolarHBondContact O-N 3.4Å; V239-I243 HydrophobicContact CG1-CD1 3.92Å; V239-I243 WeakPolarHBondContact O-CG1 3.35Å; V239-I243 PolarHBondContact O-N 3.3Å
240	Y	93.7	Very high	89.5	Confident	53 Å²	53	40.8 Å²	40.8	21%	0.208	22%	0.218	C	C	.	.	H	α-helix	trans	-65	-36.8	179.6	-76.8	-72.4	0	0	0	112.5	L214 A221 L223 N236 I243 L244	L214-Y240 HydrophobicContact CD1-CD2 3.78Å; L214-Y240 HydrophobicContact CD1-CE2 4.44Å; L214-Y240 HydrophobicContact CD1-CG 4.38Å; L214-Y240 HydrophobicContact CD2-CD2 3.66Å; L214-Y240 HydrophobicContact CD2-CE2 3.62Å; L214-Y240 HydrophobicContact CD2-CG 4.22Å; L214-Y240 HydrophobicContact CG-CD2 4.24Å; A221-Y240 WeakPolarHBondContact O-CE2 3.49Å; A221-Y240 PolarHBondContact O-OH 3.08Å; L223-Y240 HydrophobicContact CD1-CE2 3.77Å; N236-Y240 HydrophobicContact CB-CD2 4.48Å; N236-Y240 VanDerWaalsContact O-CD2 3.31Å; N236-Y240 WeakPolarHBondContact O-CD2 3.34Å; N236-Y240 PolarHBondContact O-N 2.88Å; Y240-I243 PolarHBondContact O-N 3.05Å; Y240-L244 VanDerWaalsContact O-CB 3.31Å; Y240-L244 WeakPolarHBondContact O-CB 3.28Å; Y240-L244 PolarHBondContact O-N 3.44Å
241	G	93.5	Very high	90.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.1	-42.3	173.9	0	0	0	0	0	112.5	T237 V239 L244 L245 I548	T237-G241 VanDerWaalsContact O-CA 3.31Å; T237-G241 WeakPolarHBondContact O-CA 3.28Å; T237-G241 PolarHBondContact O-N 3.29Å; V239-G241 VanDerWaalsContact C-N 3.33Å; V239-G241 PolarHBondContact O-N 3.37Å; G241-L244 PolarHBondContact O-N 3.3Å; G241-L245 WeakPolarHBondContact O-CB 3.14Å; G241-L245 PolarHBondContact O-N 3.43Å; G241-I548 WeakPolarHBondContact O-CD1 3.46Å
242	T	94.8	Very high	90.4	Very high	40 Å²	40	37.5 Å²	37.5	25%	0.245	19%	0.193	C	C	.	.	H	α-helix	trans	-65.7	-43.4	177.2	-56.8	0	0	0	0	111.3	R238 V239 L244 L245 F246 Q545	R238-T242 WeakPolarHBondContact O-CB 3.35Å; R238-T242 PolarHBondContact O-N 2.85Å; R238-T242 PolarHBondContact O-OG1 2.87Å; V239-T242 PolarHBondContact O-N 3.4Å; T242-L244 VanDerWaalsContact C-N 3.33Å; T242-L244 PolarHBondContact O-N 3.06Å; T242-L245 PolarHBondContact O-N 2.97Å; T242-F246 WeakPolarHBondContact O-CB 3.42Å; T242-F246 PolarHBondContact O-N 2.95Å; T242-Q545 PolarHBondContact OG1-NE2 3.47Å
243	I	95	Very high	90.4	Very high	94 Å²	94	40.8 Å²	40.8	48%	0.482	21%	0.207	S	C	.	.	H	α-helix	trans	-61.6	-44	175.9	-66.5	166.3	0	0	0	110.5	V239 Y240 F246 T247	V239-I243 HydrophobicContact CG1-CD1 3.92Å; V239-I243 WeakPolarHBondContact O-CG1 3.35Å; V239-I243 PolarHBondContact O-N 3.3Å; Y240-I243 PolarHBondContact O-N 3.05Å; I243-F246 PolarHBondContact O-N 2.87Å; I243-T247 WeakPolarHBondContact O-CB 3.48Å; I243-T247 PolarHBondContact O-N 3.01Å; I243-T247 PolarHBondContact O-OG1 2.96Å
244	L	93.9	Very high	90.2	Very high	37 Å²	37	47.5 Å²	47.5	19%	0.194	24%	0.24	C	C	.	.	H	α-helix	trans	-66.1	-44	179.1	-174.1	63.4	0	0	0	111.4	L206 A209 V210 Y240 G241 T242 F246 T247 V248	L206-L244 HydrophobicContact CB-CD2 4.29Å; L206-L244 HydrophobicContact CD2-CD2 3.87Å; L206-L244 HydrophobicContact CD2-CG 4.06Å; A209-L244 HydrophobicContact CB-CD2 4Å; V210-L244 HydrophobicContact CG2-CB 4.47Å; V210-L244 HydrophobicContact CG2-CD2 3.9Å; Y240-L244 VanDerWaalsContact O-CB 3.31Å; Y240-L244 WeakPolarHBondContact O-CB 3.28Å; Y240-L244 PolarHBondContact O-N 3.44Å; G241-L244 PolarHBondContact O-N 3.3Å; T242-L244 VanDerWaalsContact C-N 3.33Å; T242-L244 PolarHBondContact O-N 3.06Å; L244-F246 VanDerWaalsContact C-N 3.34Å; L244-F246 PolarHBondContact O-N 3.11Å; L244-T247 PolarHBondContact O-N 3.3Å; L244-V248 HydrophobicContact CD1-CG2 4.32Å; L244-V248 HydrophobicContact CG-CG2 4.34Å; L244-V248 WeakPolarHBondContact O-CB 3.41Å; L244-V248 WeakPolarHBondContact O-CG2 3.38Å; L244-V248 PolarHBondContact O-N 3.47Å
245	L	94.5	Very high	89.3	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.1	-43.7	175.6	-179.7	67.6	0	0	0	111.7	L206 G241 T242 T247 V248 M249 L502 Y541 A544 Q545 I548	L206-L245 HydrophobicContact CD1-CB 3.95Å; L206-L245 HydrophobicContact CD1-CD1 3.52Å; L206-L245 HydrophobicContact CD1-CG 4.34Å; G241-L245 WeakPolarHBondContact O-CB 3.14Å; G241-L245 PolarHBondContact O-N 3.43Å; T242-L245 PolarHBondContact O-N 2.97Å; L245-T247 VanDerWaalsContact C-N 3.34Å; L245-T247 PolarHBondContact O-N 3.47Å; L245-V248 PolarHBondContact O-N 3.11Å; L245-M249 WeakPolarHBondContact O-CB 3.43Å; L245-M249 PolarHBondContact O-N 2.69Å; L245-L502 HydrophobicContact CD1-CD1 4.24Å; L245-L502 HydrophobicContact CD1-CD2 4.04Å; L245-Y541 HydrophobicContact CB-CE2 4.46Å; L245-Y541 HydrophobicContact CD1-CD2 4.38Å; L245-Y541 HydrophobicContact CD2-CD2 3.71Å; L245-Y541 HydrophobicContact CD2-CE2 3.66Å; L245-Y541 HydrophobicContact CG-CD2 3.73Å; L245-Y541 HydrophobicContact CG-CE2 3.63Å; L245-A544 HydrophobicContact CD1-CB 3.93Å; L245-A544 HydrophobicContact CD2-CB 4.05Å; L245-Q545 HydrophobicContact CD2-CB 4Å; L245-I548 HydrophobicContact CB-CD1 3.54Å; L245-I548 HydrophobicContact CD1-CD1 4.39Å; L245-I548 HydrophobicContact CD2-CD1 3.78Å; L245-I548 HydrophobicContact CG-CD1 4.08Å
246	F	94.1	Very high	88.3	Confident	120 Å²	120	45 Å²	45	53%	0.526	23%	0.231	S	C	.	.	H	α-helix	trans	-60.7	-44.5	175.6	-179.5	-99.5	0	0	0	111.6	T242 I243 L244 M249 C250	T242-F246 WeakPolarHBondContact O-CB 3.42Å; T242-F246 PolarHBondContact O-N 2.95Å; I243-F246 PolarHBondContact O-N 2.87Å; L244-F246 VanDerWaalsContact C-N 3.34Å; L244-F246 PolarHBondContact O-N 3.11Å; F246-M249 WeakPolarHBondContact O-CB 3.47Å; F246-M249 PolarHBondContact O-N 3.39Å; F246-C250 PolarHBondContact O-N 3.49Å; F246-C250 PolarHBondContact O-SG 2.98Å; F246-C250 VanDerWaalsContact O-SG 3.36Å
247	T	92.1	Very high	87.4	Confident	69 Å²	69	55.1 Å²	55.1	42%	0.423	27%	0.27	S	S	.	.	H	α-helix	trans	-63.8	-46	178.2	-54.2	0	0	0	0	111.7	I243 L244 L245 M249 C250 C251	I243-T247 WeakPolarHBondContact O-CB 3.48Å; I243-T247 PolarHBondContact O-N 3.01Å; I243-T247 PolarHBondContact O-OG1 2.96Å; L244-T247 PolarHBondContact O-N 3.3Å; L245-T247 VanDerWaalsContact C-N 3.34Å; L245-T247 PolarHBondContact O-N 3.47Å; T247-M249 VanDerWaalsContact C-N 3.3Å; T247-M249 PolarHBondContact O-N 3.05Å; T247-C250 WeakPolarHBondContact O-CB 3.18Å; T247-C250 PolarHBondContact O-N 3.25Å; T247-C251 PolarHBondContact O-N 2.81Å; T247-C251 PolarHBondContact O-SG 2.9Å; T247-C251 VanDerWaalsContact O-SG 3.33Å
248	V	90.8	Very high	86.7	Confident	5 Å²	5	60.3 Å²	60.3	3%	0.03	29%	0.292	C	S	.	.	H	α-helix	trans	-60.9	-41.4	176.1	168.3	0	0	0	0	110.3	L206 L244 L245 C251 V252 L499 L502	L206-V248 HydrophobicContact CD2-CG2 3.97Å; L244-V248 HydrophobicContact CD1-CG2 4.32Å; L244-V248 HydrophobicContact CG-CG2 4.34Å; L244-V248 WeakPolarHBondContact O-CB 3.41Å; L244-V248 WeakPolarHBondContact O-CG2 3.38Å; L244-V248 PolarHBondContact O-N 3.47Å; L245-V248 PolarHBondContact O-N 3.11Å; V248-C251 WeakPolarHBondContact O-CB 3.47Å; V248-C251 PolarHBondContact O-N 2.85Å; V248-V252 WeakPolarHBondContact O-CG2 3.19Å; V248-V252 PolarHBondContact O-N 3.36Å; V248-L499 HydrophobicContact CB-CD2 4.14Å; V248-L499 HydrophobicContact CG1-CD2 3.42Å; V248-L499 VanDerWaalsContact CG1-CD2 3.42Å; V248-L499 HydrophobicContact CG1-CG 3.87Å; V248-L499 HydrophobicContact CG2-CD2 4.33Å; V248-L499 HydrophobicContact CG2-CG 4.44Å; V248-L502 HydrophobicContact CB-CD2 4.39Å; V248-L502 HydrophobicContact CG1-CD2 3.5Å
249	M	88.3	Confident	85.9	Confident	7 Å²	7	56.2 Å²	56.2	3%	0.034	28%	0.277	C	S	.	.	H	α-helix	trans	-61.7	-44.6	174.9	-179.5	56.6	63.6	0	0	112.1	L245 F246 T247 C251 V252 F253 L502 Q537 Y541	L245-M249 WeakPolarHBondContact O-CB 3.43Å; L245-M249 PolarHBondContact O-N 2.69Å; F246-M249 WeakPolarHBondContact O-CB 3.47Å; F246-M249 PolarHBondContact O-N 3.39Å; T247-M249 VanDerWaalsContact C-N 3.3Å; T247-M249 PolarHBondContact O-N 3.05Å; M249-C251 VanDerWaalsContact C-N 3.33Å; M249-C251 PolarHBondContact O-N 3.48Å; M249-V252 PolarHBondContact O-N 3.14Å; M249-F253 HydrophobicContact CG-CD2 4.13Å; M249-F253 HydrophobicContact CG-CE2 3.55Å; M249-F253 HydrophobicContact CG-CZ 4.15Å; M249-F253 VanDerWaalsContact O-CD2 3.3Å; M249-F253 WeakPolarHBondContact O-CD2 3.12Å; M249-F253 PolarHBondContact O-N 2.77Å; M249-F253 HydrophobicContact SD-CD2 4.32Å; M249-F253 HydrophobicContact SD-CE1 4.33Å; M249-F253 HydrophobicContact SD-CE2 3.66Å; M249-F253 HydrophobicContact SD-CZ 3.67Å; M249-L502 HydrophobicContact CB-CD2 4.5Å; M249-L502 HydrophobicContact CE-CD1 4.08Å; M249-L502 HydrophobicContact CE-CD2 3.75Å; M249-L502 HydrophobicContact CE-CG 3.98Å; M249-Q537 HydrophobicContact CE-CG 3.8Å; M249-Q537 HydrophobicContact SD-CG 3.34Å; M249-Q537 WeakPolarHBondContact SD-CG 3.48Å; M249-Q537 PolarHBondContact SD-NE2 3.23Å; M249-Q537 VanDerWaalsContact SD-NE2 3.43Å; M249-Y541 HydrophobicContact CB-CD2 4.1Å; M249-Y541 HydrophobicContact CB-CE2 4.38Å; M249-Y541 HydrophobicContact CE-CD2 3.84Å; M249-Y541 HydrophobicContact CE-CG 4.08Å; M249-Y541 HydrophobicContact CG-CD2 4.07Å
250	C	88.6	Confident	84.8	Confident	47 Å²	47	54.3 Å²	54.3	32%	0.318	27%	0.266	S	S	.	.	H	α-helix	trans	-59.5	-42.1	172.8	-69.9	0	0	0	0	112.1	F246 T247 V252 F253 M254	F246-C250 PolarHBondContact O-N 3.49Å; F246-C250 PolarHBondContact O-SG 2.98Å; F246-C250 VanDerWaalsContact O-SG 3.36Å; T247-C250 WeakPolarHBondContact O-CB 3.18Å; T247-C250 PolarHBondContact O-N 3.25Å; C250-V252 VanDerWaalsContact C-N 3.32Å; C250-V252 PolarHBondContact O-N 3.05Å; C250-F253 PolarHBondContact O-N 2.76Å; C250-F253 VanDerWaalsContact O-N 3.14Å; C250-M254 WeakPolarHBondContact O-CG 3.15Å; C250-M254 PolarHBondContact O-N 2.96Å
251	C	86.2	Confident	84	Confident	30 Å²	30	60.4 Å²	60.4	20%	0.203	29%	0.288	C	S	.	.	H	α-helix	trans	-61.1	-39.2	175.4	-69.9	0	0	0	0	112.3	T247 V248 M249 F253 M254 G255 L499	T247-C251 PolarHBondContact O-N 2.81Å; T247-C251 PolarHBondContact O-SG 2.9Å; T247-C251 VanDerWaalsContact O-SG 3.33Å; V248-C251 WeakPolarHBondContact O-CB 3.47Å; V248-C251 PolarHBondContact O-N 2.85Å; M249-C251 VanDerWaalsContact C-N 3.33Å; M249-C251 PolarHBondContact O-N 3.48Å; C251-F253 VanDerWaalsContact C-N 3.34Å; C251-M254 PolarHBondContact O-N 2.94Å; C251-G255 PolarHBondContact O-N 2.85Å; C251-L499 HydrophobicContact CB-CD2 4.16Å
252	V	83.9	Confident	83.5	Confident	4 Å²	4	62.6 Å²	62.6	2%	0.024	30%	0.298	C	S	.	.	H	α-helix	trans	-63.4	-40.8	174.3	174.3	0	0	0	0	111	V248 M249 C250 M254 G255 L499 T503	V248-V252 WeakPolarHBondContact O-CG2 3.19Å; V248-V252 PolarHBondContact O-N 3.36Å; M249-V252 PolarHBondContact O-N 3.14Å; C250-V252 VanDerWaalsContact C-N 3.32Å; C250-V252 PolarHBondContact O-N 3.05Å; V252-M254 PolarHBondContact O-N 2.81Å; V252-G255 PolarHBondContact O-N 3.2Å; V252-L499 HydrophobicContact CG2-CD2 4.3Å; V252-T503 HydrophobicContact CB-CG2 4.29Å; V252-T503 HydrophobicContact CG1-CG2 3.81Å; V252-T503 HydrophobicContact CG2-CG2 3.57Å
253	F	81.5	Confident	82.7	Confident	76 Å²	76	60.9 Å²	60.9	33%	0.333	29%	0.288	S	S	.	.	H	α-helix	trans	-67.9	-30.2	176.2	-69.3	-46.8	0	0	0	114.4	M249 C250 C251 G255 L534 Q537	M249-F253 HydrophobicContact CG-CD2 4.13Å; M249-F253 HydrophobicContact CG-CE2 3.55Å; M249-F253 HydrophobicContact CG-CZ 4.15Å; M249-F253 VanDerWaalsContact O-CD2 3.3Å; M249-F253 WeakPolarHBondContact O-CD2 3.12Å; M249-F253 PolarHBondContact O-N 2.77Å; M249-F253 HydrophobicContact SD-CD2 4.32Å; M249-F253 HydrophobicContact SD-CE1 4.33Å; M249-F253 HydrophobicContact SD-CE2 3.66Å; M249-F253 HydrophobicContact SD-CZ 3.67Å; C250-F253 PolarHBondContact O-N 2.76Å; C250-F253 VanDerWaalsContact O-N 3.14Å; C251-F253 VanDerWaalsContact C-N 3.34Å; F253-G255 PolarHBondContact O-N 2.75Å; F253-L534 HydrophobicContact CD1-CD2 3.57Å; F253-L534 HydrophobicContact CE1-CD2 3.24Å; F253-L534 HydrophobicContact CZ-CD2 4.26Å; F253-Q537 HydrophobicContact CE1-CB 4.35Å; F253-Q537 HydrophobicContact CE1-CG 3.87Å; F253-Q537 HydrophobicContact CZ-CG 4.08Å
254	M	78.3	Confident	82	Confident	156 Å²	156	57.6 Å²	57.6	77%	0.768	28%	0.275	S	S	*	.	H	α-helix	trans	-64	-29.4	173.9	-71.3	-178.2	74.6	0	0	112	C250 C251 V252	C250-M254 WeakPolarHBondContact O-CG 3.15Å; C250-M254 PolarHBondContact O-N 2.96Å; C251-M254 PolarHBondContact O-N 2.94Å; V252-M254 PolarHBondContact O-N 2.81Å
255	G	68.2	Low	81.6	Confident	16 Å²	16	59.9 Å²	59.9	17%	0.165	29%	0.29	C	S	.	.			trans	135.8	150.9	163.6	0	0	0	0	0	114.4	C251 V252 F253 R257 F258	C251-G255 PolarHBondContact O-N 2.85Å; V252-G255 PolarHBondContact O-N 3.2Å; F253-G255 PolarHBondContact O-N 2.75Å; G255-R257 PolarHBondContact O-N 3Å; G255-F258 PolarHBondContact O-N 2.83Å; G255-F258 VanDerWaalsContact O-N 3.08Å
256	I	69.4	Low	81.1	Confident	41 Å²	41	60 Å²	60	21%	0.21	29%	0.291	C	S	.	.	H	α-helix	trans	-59	-26	-176.7	-44.4	126	0	0	0	113.2	F258 V259 S260 E532	I256-F258 PolarHBondContact O-N 3.02Å; I256-V259 PolarHBondContact O-N 3.22Å; I256-V259 VanDerWaalsContact O-N 3.15Å; I256-S260 WeakPolarHBondContact O-CB 3.4Å; I256-S260 PolarHBondContact O-N 3.17Å; I256-S260 PolarHBondContact O-OG 3.34Å; I256-E532 WeakPolarHBondContact CD1-OE1 3.25Å; I256-E532 WeakPolarHBondContact CG1-OE1 3.24Å
257	R	70.7	Confident	80.7	Confident	216 Å²	216	54.8 Å²	54.8	82%	0.815	27%	0.269	S	S	*	.	H	α-helix	trans	-59.5	-34.3	178.8	-70.5	-173	-178.3	174.2	0.5	112	G255 S260 R261	G255-R257 PolarHBondContact O-N 3Å; R257-S260 VanDerWaalsContact C-OG 3.31Å; R257-S260 VanDerWaalsContact CA-OG 3.26Å; R257-S260 WeakPolarHBondContact CA-OG 3.07Å; R257-S260 PolarHBondContact O-OG 2.82Å; R257-R261 WeakPolarHBondContact O-CG 3.43Å; R257-R261 PolarHBondContact O-N 2.8Å
258	F	76.1	Confident	80.5	Confident	114 Å²	114	53.7 Å²	53.7	50%	0.5	27%	0.266	S	S	.	.	H	α-helix	trans	-71	-47.8	174.5	-179.1	-100.7	0	0	0	110.7	G255 I256 S260 R261 F262	G255-F258 PolarHBondContact O-N 2.83Å; G255-F258 VanDerWaalsContact O-N 3.08Å; I256-F258 PolarHBondContact O-N 3.02Å; F258-S260 VanDerWaalsContact C-N 3.33Å; F258-S260 PolarHBondContact O-N 2.6Å; F258-R261 PolarHBondContact O-N 2.91Å; F258-F262 WeakPolarHBondContact O-CB 3.17Å; F258-F262 PolarHBondContact O-N 3.36Å
259	V	76.3	Confident	80.4	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.024	27%	0.271	C	S	.	.	H	α-helix	trans	-60.1	-41.4	-179.5	-178.7	0	0	0	0	112.1	I256 F262 A263 L499 T503	I256-V259 PolarHBondContact O-N 3.22Å; I256-V259 VanDerWaalsContact O-N 3.15Å; V259-F262 PolarHBondContact O-N 2.98Å; V259-A263 WeakPolarHBondContact O-CB 3.41Å; V259-A263 PolarHBondContact O-N 3.42Å; V259-L499 HydrophobicContact CG1-CB 4.21Å; V259-L499 HydrophobicContact CG2-CD2 4.49Å; V259-T503 HydrophobicContact CB-CG2 4.42Å; V259-T503 HydrophobicContact CG1-CG2 4.01Å; V259-T503 HydrophobicContact CG2-CG2 4.1Å
260	S	71.3	Confident	80.4	Confident	11 Å²	11	54 Å²	54	8%	0.077	27%	0.271	C	S	.	.	H	α-helix	trans	-62.8	-46	177.5	39.4	0	0	0	0	112.7	Y80 I256 R257 F258 A263	Y80-S260 CarbonylContact O-C 3.54Å; I256-S260 WeakPolarHBondContact O-CB 3.4Å; I256-S260 PolarHBondContact O-N 3.17Å; I256-S260 PolarHBondContact O-OG 3.34Å; R257-S260 VanDerWaalsContact C-OG 3.31Å; R257-S260 VanDerWaalsContact CA-OG 3.26Å; R257-S260 WeakPolarHBondContact CA-OG 3.07Å; R257-S260 PolarHBondContact O-OG 2.82Å; F258-S260 VanDerWaalsContact C-N 3.33Å; F258-S260 PolarHBondContact O-N 2.6Å; S260-A263 WeakPolarHBondContact O-CB 3.35Å; S260-A263 PolarHBondContact O-N 3.25Å
261	R	77	Confident	80.5	Confident	181 Å²	181	55.6 Å²	55.6	68%	0.683	28%	0.275	S	S	*	.	H	α-helix	trans	-64.5	-41.8	175.3	-71.7	-177.9	177.3	-177.4	-0.7	111.9	R257 F258 A263 A264	R257-R261 WeakPolarHBondContact O-CG 3.43Å; R257-R261 PolarHBondContact O-N 2.8Å; F258-R261 PolarHBondContact O-N 2.91Å; R261-A263 VanDerWaalsContact C-N 3.27Å; R261-A263 PolarHBondContact O-N 3.32Å; R261-A264 PolarHBondContact O-N 2.92Å
262	F	82.6	Confident	80.7	Confident	46 Å²	46	58.5 Å²	58.5	20%	0.202	29%	0.288	C	S	.	.	H	α-helix	trans	-63.5	-34.4	176.6	-169.5	-97.4	0	0	0	112.1	F258 V259 A264 V265 S266 L492 I495 L499	F258-F262 WeakPolarHBondContact O-CB 3.17Å; F258-F262 PolarHBondContact O-N 3.36Å; V259-F262 PolarHBondContact O-N 2.98Å; F262-A264 VanDerWaalsContact C-N 3.32Å; F262-A264 PolarHBondContact O-N 2.73Å; F262-V265 WeakPolarHBondContact O-CB 3.28Å; F262-V265 PolarHBondContact O-N 2.9Å; F262-V265 VanDerWaalsContact O-N 3.12Å; F262-S266 PolarHBondContact O-N 3.43Å; F262-L492 HydrophobicContact CZ-CD2 4.08Å; F262-I495 HydrophobicContact CE1-CG2 4.25Å; F262-I495 HydrophobicContact CZ-CG2 4.43Å; F262-L499 HydrophobicContact CD1-CD1 3.67Å; F262-L499 HydrophobicContact CE1-CD1 3.84Å; F262-L499 HydrophobicContact CG-CD1 4.46Å
263	A	77.8	Confident	81.1	Confident	4 Å²	4	58.4 Å²	58.4	3%	0.033	29%	0.287	C	S	.	.	H	α-helix	trans	-58.1	-42.7	177.8	0	0	0	0	0	112.2	Y80 Q119 V259 S260 R261 V265 S266 L267	Y80-A263 HydrophobicContact CD1-CB 4.32Å; Y80-A263 HydrophobicContact CE1-CB 3.86Å; Q119-A263 PolarHBondContact NE2-O 3.21Å; Q119-A263 PolarHBondContact OE1-O 2.85Å; V259-A263 WeakPolarHBondContact O-CB 3.41Å; V259-A263 PolarHBondContact O-N 3.42Å; S260-A263 WeakPolarHBondContact O-CB 3.35Å; S260-A263 PolarHBondContact O-N 3.25Å; R261-A263 VanDerWaalsContact C-N 3.27Å; R261-A263 PolarHBondContact O-N 3.32Å; A263-V265 VanDerWaalsContact C-N 3.33Å; A263-V265 PolarHBondContact O-N 2.87Å; A263-S266 WeakPolarHBondContact CA-OG 3.27Å; A263-S266 PolarHBondContact O-N 2.9Å; A263-S266 PolarHBondContact O-OG 2.66Å; A263-L267 WeakPolarHBondContact O-CB 3.39Å; A263-L267 PolarHBondContact O-N 3.14Å
264	A	79.1	Confident	81.6	Confident	26 Å²	26	55.6 Å²	55.6	22%	0.215	28%	0.276	C	S	.	.	H	α-helix	trans	-61.3	-42.1	176.1	0	0	0	0	0	112.1	Y80 R261 F262 L267 A268	Y80-A264 HydrophobicContact CD1-CB 3.75Å; Y80-A264 HydrophobicContact CE1-CB 4.48Å; Y80-A264 HydrophobicContact CG-CB 4.35Å; R261-A264 PolarHBondContact O-N 2.92Å; F262-A264 VanDerWaalsContact C-N 3.32Å; F262-A264 PolarHBondContact O-N 2.73Å; A264-L267 PolarHBondContact O-N 3.14Å; A264-A268 PolarHBondContact O-N 3.16Å
265	V	85.9	Confident	82.3	Confident	84 Å²	84	53.3 Å²	53.3	51%	0.509	27%	0.266	S	S	.	.	H	α-helix	trans	-64.2	-44.7	176.5	179.4	0	0	0	0	110.6	F262 A263 L267 A268 A269	F262-V265 WeakPolarHBondContact O-CB 3.28Å; F262-V265 PolarHBondContact O-N 2.9Å; F262-V265 VanDerWaalsContact O-N 3.12Å; A263-V265 VanDerWaalsContact C-N 3.33Å; A263-V265 PolarHBondContact O-N 2.87Å; V265-L267 VanDerWaalsContact C-N 3.33Å; V265-L267 PolarHBondContact O-N 3.1Å; V265-A268 PolarHBondContact O-N 3.07Å; V265-A269 WeakPolarHBondContact O-CB 3.31Å; V265-A269 PolarHBondContact O-N 3.08Å
266	S	85	Confident	83.4	Confident	2 Å²	2	53 Å²	53	1%	0.014	26%	0.261	C	S	.	.	H	α-helix	trans	-63.5	-38.1	177.8	67.1	0	0	0	0	112.5	Q119 F262 A263 A269 V270	Q119-S266 PolarHBondContact NE2-OG 2.6Å; Q119-S266 VanDerWaalsContact NE2-OG 3.09Å; F262-S266 PolarHBondContact O-N 3.43Å; A263-S266 WeakPolarHBondContact CA-OG 3.27Å; A263-S266 PolarHBondContact O-N 2.9Å; A263-S266 PolarHBondContact O-OG 2.66Å; S266-A269 WeakPolarHBondContact O-CB 3.15Å; S266-A269 PolarHBondContact O-N 2.99Å; S266-V270 WeakPolarHBondContact O-CG2 3.46Å; S266-V270 PolarHBondContact O-N 2.94Å
267	L	85	Confident	84.5	Confident	11 Å²	11	51.5 Å²	51.5	6%	0.058	25%	0.254	C	S	.	.	H	α-helix	trans	-67	-44.2	176.6	177.9	59.8	0	0	0	111.4	L115 Q119 A263 A264 V265 A269 V270 L271	L115-L267 HydrophobicContact CB-CD2 3.82Å; L115-L267 HydrophobicContact CD1-CD2 4.48Å; L115-L267 HydrophobicContact CD2-CD2 4.12Å; L115-L267 HydrophobicContact CG-CD2 4.35Å; Q119-L267 HydrophobicContact CB-CD1 3.99Å; Q119-L267 HydrophobicContact CG-CB 4.4Å; Q119-L267 HydrophobicContact CG-CD1 4.48Å; A263-L267 WeakPolarHBondContact O-CB 3.39Å; A263-L267 PolarHBondContact O-N 3.14Å; A264-L267 PolarHBondContact O-N 3.14Å; V265-L267 VanDerWaalsContact C-N 3.33Å; V265-L267 PolarHBondContact O-N 3.1Å; L267-A269 VanDerWaalsContact C-N 3.29Å; L267-A269 PolarHBondContact O-N 3.13Å; L267-V270 PolarHBondContact O-N 3.25Å; L267-L271 HydrophobicContact CD1-CD1 4.28Å; L267-L271 HydrophobicContact CD1-CG 4.23Å; L267-L271 HydrophobicContact CG-CD1 4.27Å; L267-L271 WeakPolarHBondContact O-CG 3.36Å; L267-L271 PolarHBondContact O-N 3.31Å
268	A	87.9	Confident	85.5	Confident	46 Å²	46	43.7 Å²	43.7	38%	0.38	23%	0.225	S	C	.	.	H	α-helix	trans	-59.4	-43	174.9	0	0	0	0	0	111.2	A264 V265 V270 L271 I272	A264-A268 PolarHBondContact O-N 3.16Å; V265-A268 PolarHBondContact O-N 3.07Å; A268-V270 PolarHBondContact O-N 3.28Å; A268-L271 PolarHBondContact O-N 3.27Å; A268-I272 WeakPolarHBondContact O-CB 3.22Å; A268-I272 WeakPolarHBondContact O-CD1 3.02Å; A268-I272 VanDerWaalsContact O-CG1 3.22Å; A268-I272 WeakPolarHBondContact O-CG1 3.47Å; A268-I272 PolarHBondContact O-N 3.41Å
269	A	89	Confident	86.3	Confident	16 Å²	16	41.7 Å²	41.7	13%	0.132	22%	0.219	C	C	.	.	H	α-helix	trans	-58.5	-46.1	175.9	0	0	0	0	0	111.9	V265 S266 L267 I272 S273 L492	V265-A269 WeakPolarHBondContact O-CB 3.31Å; V265-A269 PolarHBondContact O-N 3.08Å; S266-A269 WeakPolarHBondContact O-CB 3.15Å; S266-A269 PolarHBondContact O-N 2.99Å; L267-A269 VanDerWaalsContact C-N 3.29Å; L267-A269 PolarHBondContact O-N 3.13Å; A269-I272 PolarHBondContact O-N 3.28Å; A269-S273 WeakPolarHBondContact O-CB 3.4Å; A269-S273 PolarHBondContact O-N 2.68Å; A269-S273 PolarHBondContact O-OG 2.79Å; A269-L492 HydrophobicContact CB-CB 4.42Å
270	V	88.9	Confident	87	Confident	3 Å²	3	41.5 Å²	41.5	2%	0.018	22%	0.218	C	C	.	.	H	α-helix	trans	-60	-49.6	177	171	0	0	0	0	112.1	F122 S266 L267 A268 I272 S273 I274 S493	F122-V270 HydrophobicContact CB-CG1 3.6Å; F122-V270 HydrophobicContact CD2-CG1 3.98Å; F122-V270 HydrophobicContact CG-CG1 3.95Å; S266-V270 WeakPolarHBondContact O-CG2 3.46Å; S266-V270 PolarHBondContact O-N 2.94Å; L267-V270 PolarHBondContact O-N 3.25Å; A268-V270 PolarHBondContact O-N 3.28Å; V270-I272 VanDerWaalsContact C-N 3.34Å; V270-I272 PolarHBondContact O-N 3.47Å; V270-S273 PolarHBondContact O-N 3.18Å; V270-I274 HydrophobicContact CG1-CD1 3.77Å; V270-I274 HydrophobicContact CG1-CG1 4.43Å; V270-I274 WeakPolarHBondContact O-CG1 3.38Å; V270-I274 PolarHBondContact O-N 2.92Å; V270-S493 WeakPolarHBondContact CG2-OG 3.47Å
271	L	89.8	Confident	87.9	Confident	80 Å²	80	41 Å²	41	42%	0.419	21%	0.214	S	C	.	.	H	α-helix	trans	-64.9	-40.4	-176.9	-66.4	177.3	0	0	0	111.6	F122 L267 A268 I274 L275	F122-L271 HydrophobicContact CE2-CD2 4.38Å; L267-L271 HydrophobicContact CD1-CD1 4.28Å; L267-L271 HydrophobicContact CD1-CG 4.23Å; L267-L271 HydrophobicContact CG-CD1 4.27Å; L267-L271 WeakPolarHBondContact O-CG 3.36Å; L267-L271 PolarHBondContact O-N 3.31Å; A268-L271 PolarHBondContact O-N 3.27Å; L271-I274 PolarHBondContact O-N 3.05Å; L271-L275 WeakPolarHBondContact O-CB 3.47Å; L271-L275 PolarHBondContact O-N 3.36Å
272	I	91.8	Very high	88.5	Confident	92 Å²	92	39.3 Å²	39.3	47%	0.472	21%	0.212	S	C	.	.	H	α-helix	trans	-63.7	-44.1	174.1	-67.1	166.4	0	0	0	110.2	A268 A269 V270 I274 L275 C276 V485	A268-I272 WeakPolarHBondContact O-CB 3.22Å; A268-I272 WeakPolarHBondContact O-CD1 3.02Å; A268-I272 VanDerWaalsContact O-CG1 3.22Å; A268-I272 WeakPolarHBondContact O-CG1 3.47Å; A268-I272 PolarHBondContact O-N 3.41Å; A269-I272 PolarHBondContact O-N 3.28Å; V270-I272 VanDerWaalsContact C-N 3.34Å; V270-I272 PolarHBondContact O-N 3.47Å; I272-I274 PolarHBondContact O-N 3.2Å; I272-L275 PolarHBondContact O-N 2.98Å; I272-C276 WeakPolarHBondContact O-CB 3.46Å; I272-C276 PolarHBondContact O-N 3.2Å; I272-C276 PolarHBondContact O-SG 2.62Å; I272-C276 VanDerWaalsContact O-SG 3.36Å; I272-V485 HydrophobicContact CG2-CG1 4.18Å
273	S	92.1	Very high	88.8	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.007	22%	0.218	C	C	.	.	H	α-helix	trans	-59.6	-47.1	176.7	-65.2	0	0	0	0	111.9	A269 V270 L275 C276 V277 I486	A269-S273 WeakPolarHBondContact O-CB 3.4Å; A269-S273 PolarHBondContact O-N 2.68Å; A269-S273 PolarHBondContact O-OG 2.79Å; V270-S273 PolarHBondContact O-N 3.18Å; S273-L275 VanDerWaalsContact C-N 3.34Å; S273-L275 PolarHBondContact O-N 2.95Å; S273-C276 WeakPolarHBondContact O-CB 3.48Å; S273-C276 PolarHBondContact O-N 3.07Å; S273-V277 VanDerWaalsContact O-CG2 3.31Å; S273-V277 WeakPolarHBondContact O-CG2 3.22Å; S273-V277 PolarHBondContact O-N 2.81Å; S273-I486 VanDerWaalsContact O-CD1 3.22Å; S273-I486 WeakPolarHBondContact O-CD1 3.44Å
274	I	91	Very high	89.3	Confident	17 Å²	17	40.1 Å²	40.1	9%	0.087	22%	0.221	C	C	.	.	H	α-helix	trans	-60.9	-44.1	177.9	-67.3	170.2	0	0	0	110.7	F122 L126 F127 V270 L271 I272 C276 V277 Y278 V444	F122-I274 HydrophobicContact CD1-CD1 3.71Å; F122-I274 HydrophobicContact CD2-CD1 4.05Å; F122-I274 HydrophobicContact CE1-CD1 3.63Å; F122-I274 HydrophobicContact CE2-CD1 3.97Å; F122-I274 HydrophobicContact CG-CD1 3.93Å; F122-I274 HydrophobicContact CZ-CD1 3.76Å; L126-I274 HydrophobicContact CD2-CD1 4.04Å; L126-I274 HydrophobicContact CD2-CG1 4.02Å; F127-I274 HydrophobicContact CE1-CG1 4.5Å; F127-I274 HydrophobicContact CZ-CG1 4.24Å; V270-I274 HydrophobicContact CG1-CD1 3.77Å; V270-I274 HydrophobicContact CG1-CG1 4.43Å; V270-I274 WeakPolarHBondContact O-CG1 3.38Å; V270-I274 PolarHBondContact O-N 2.92Å; L271-I274 PolarHBondContact O-N 3.05Å; I272-I274 PolarHBondContact O-N 3.2Å; I274-C276 VanDerWaalsContact C-N 3.35Å; I274-C276 PolarHBondContact O-N 3.48Å; I274-V277 WeakPolarHBondContact O-CB 3.45Å; I274-V277 PolarHBondContact O-N 3.11Å; I274-Y278 HydrophobicContact CG2-CD2 3.78Å; I274-Y278 HydrophobicContact CG2-CE2 3.58Å; I274-Y278 VanDerWaalsContact O-CD2 3.26Å; I274-Y278 WeakPolarHBondContact O-CD2 3.49Å; I274-Y278 PolarHBondContact O-N 3.41Å; I274-Y278 VanDerWaalsContact O-N 3.09Å; I274-V444 HydrophobicContact CG2-CG1 4.25Å
275	L	92.5	Very high	89.5	Confident	108 Å²	108	43.6 Å²	43.6	57%	0.565	24%	0.235	S	C	*	.	H	α-helix	trans	-59	-45.7	176	-172.4	77.5	0	0	0	111.5	L271 I272 S273 V277 Y278 L279	L271-L275 WeakPolarHBondContact O-CB 3.47Å; L271-L275 PolarHBondContact O-N 3.36Å; I272-L275 PolarHBondContact O-N 2.98Å; S273-L275 VanDerWaalsContact C-N 3.34Å; S273-L275 PolarHBondContact O-N 2.95Å; L275-V277 VanDerWaalsContact C-N 3.29Å; L275-V277 PolarHBondContact O-N 2.92Å; L275-Y278 PolarHBondContact O-N 2.94Å; L275-L279 HydrophobicContact CD2-CD1 4.46Å; L275-L279 HydrophobicContact CG-CD1 4.16Å; L275-L279 HydrophobicContact CG-CG 4.5Å; L275-L279 WeakPolarHBondContact O-CG 3.5Å; L275-L279 PolarHBondContact O-N 3.15Å
276	C	93.3	Very high	89.5	Confident	9 Å²	9	42.1 Å²	42.1	6%	0.061	23%	0.228	C	C	.	.	H	α-helix	trans	-62.1	-33.8	177	-75.5	0	0	0	0	113.2	I272 S273 I274 G280 W480 I486	I272-C276 WeakPolarHBondContact O-CB 3.46Å; I272-C276 PolarHBondContact O-N 3.2Å; I272-C276 PolarHBondContact O-SG 2.62Å; I272-C276 VanDerWaalsContact O-SG 3.36Å; S273-C276 WeakPolarHBondContact O-CB 3.48Å; S273-C276 PolarHBondContact O-N 3.07Å; I274-C276 VanDerWaalsContact C-N 3.35Å; I274-C276 PolarHBondContact O-N 3.48Å; C276-G280 PolarHBondContact O-N 2.95Å; C276-W480 WeakPolarHBondContact CA-O 3.38Å; C276-W480 VanDerWaalsContact CB-O 3.28Å; C276-W480 WeakPolarHBondContact CB-O 3.38Å; C276-W480 PolarHBondContact O-N 3.4Å; C276-W480 PolarHBondContact SG-O 2.97Å; C276-I486 HydrophobicContact CB-CD1 3.94Å
277	V	91.6	Very high	89.4	Confident	10 Å²	10	47.4 Å²	47.4	6%	0.061	27%	0.265	C	S	.	.	H	α-helix	trans	-65.6	-49.7	174.4	170.9	0	0	0	0	110.4	S273 I274 L275 G280 V281 F452 V475 F478 I486	S273-V277 VanDerWaalsContact O-CG2 3.31Å; S273-V277 WeakPolarHBondContact O-CG2 3.22Å; S273-V277 PolarHBondContact O-N 2.81Å; I274-V277 WeakPolarHBondContact O-CB 3.45Å; I274-V277 PolarHBondContact O-N 3.11Å; L275-V277 VanDerWaalsContact C-N 3.29Å; L275-V277 PolarHBondContact O-N 2.92Å; V277-G280 WeakPolarHBondContact O-CA 3.4Å; V277-G280 PolarHBondContact O-N 3.07Å; V277-G280 VanDerWaalsContact O-N 3.14Å; V277-V281 WeakPolarHBondContact O-CG2 3.47Å; V277-V281 PolarHBondContact O-N 3.01Å; V277-F452 HydrophobicContact CG1-CE1 3.92Å; V277-F452 HydrophobicContact CG1-CZ 4.06Å; V277-V475 HydrophobicContact CB-CG1 4.28Å; V277-V475 HydrophobicContact CG1-CG1 3.95Å; V277-V475 HydrophobicContact CG2-CG1 3.25Å; V277-F478 HydrophobicContact CG1-CE2 3.79Å; V277-F478 HydrophobicContact CG1-CZ 4.2Å; V277-I486 HydrophobicContact CG2-CD1 3.74Å; V277-I486 HydrophobicContact CG2-CG1 4.37Å
278	Y	92.4	Very high	89.3	Confident	52 Å²	52	53 Å²	53	20%	0.204	29%	0.285	C	S	.	.	H	α-helix	trans	-63.1	-44	177.7	-79.2	-72.2	0	0	0	112.4	I274 L275 G280 V281 F282 V444 S447 L451	I274-Y278 HydrophobicContact CG2-CD2 3.78Å; I274-Y278 HydrophobicContact CG2-CE2 3.58Å; I274-Y278 VanDerWaalsContact O-CD2 3.26Å; I274-Y278 WeakPolarHBondContact O-CD2 3.49Å; I274-Y278 PolarHBondContact O-N 3.41Å; I274-Y278 VanDerWaalsContact O-N 3.09Å; L275-Y278 PolarHBondContact O-N 2.94Å; Y278-G280 PolarHBondContact O-N 3.42Å; Y278-V281 PolarHBondContact O-N 3.3Å; Y278-F282 WeakPolarHBondContact O-CD2 3.47Å; Y278-F282 PolarHBondContact O-N 2.92Å; Y278-V444 HydrophobicContact CE2-CG1 4.26Å; Y278-V444 HydrophobicContact CE2-CG2 4.46Å; Y278-V444 VanDerWaalsContact OH-CA 3.3Å; Y278-V444 WeakPolarHBondContact OH-CA 3.25Å; Y278-V444 PolarHBondContact OH-O 2.93Å; Y278-S447 PolarHBondContact OH-OG 2.72Å; Y278-L451 HydrophobicContact CD1-CD1 3.81Å; Y278-L451 HydrophobicContact CE1-CD1 3.56Å
279	L	93	Very high	89.2	Confident	72 Å²	72	51.2 Å²	51.2	38%	0.377	27%	0.27	S	S	.	.	H	α-helix	trans	-61	-36.8	173.7	-68.7	175.8	0	0	0	111.5	L275 F282 T283 W480	L275-L279 HydrophobicContact CD2-CD1 4.46Å; L275-L279 HydrophobicContact CG-CD1 4.16Å; L275-L279 HydrophobicContact CG-CG 4.5Å; L275-L279 WeakPolarHBondContact O-CG 3.5Å; L275-L279 PolarHBondContact O-N 3.15Å; L279-F282 PolarHBondContact O-N 2.97Å; L279-T283 WeakPolarHBondContact O-CB 3.35Å; L279-T283 VanDerWaalsContact O-CG2 3.27Å; L279-T283 WeakPolarHBondContact O-CG2 3.36Å; L279-T283 PolarHBondContact O-N 3.27Å; L279-T283 PolarHBondContact O-OG1 2.81Å; L279-W480 HydrophobicContact CB-CE3 4.44Å; L279-W480 HydrophobicContact CD1-CE3 4.22Å; L279-W480 HydrophobicContact CD1-CZ3 4.47Å
280	G	91.1	Very high	89	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-56.8	-53.5	172.3	0	0	0	0	0	112.2	C276 V277 Y278 F282 T283 V284 F478	C276-G280 PolarHBondContact O-N 2.95Å; V277-G280 WeakPolarHBondContact O-CA 3.4Å; V277-G280 PolarHBondContact O-N 3.07Å; V277-G280 VanDerWaalsContact O-N 3.14Å; Y278-G280 PolarHBondContact O-N 3.42Å; G280-F282 PolarHBondContact O-N 3.08Å; G280-F282 VanDerWaalsContact O-N 3.14Å; G280-T283 PolarHBondContact O-N 3.11Å; G280-T283 PolarHBondContact O-OG1 2.84Å; G280-V284 VanDerWaalsContact O-CG2 3.25Å; G280-V284 WeakPolarHBondContact O-CG2 3.43Å; G280-V284 PolarHBondContact O-N 2.71Å; G280-F478 WeakPolarHBondContact CA-O 3.03Å
281	V	90.2	Very high	89.1	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.006	29%	0.292	C	S	.	.	H	α-helix	trans	-51.3	-42	179.8	172.5	0	0	0	0	112.6	V277 Y278 L354 L451 I455 F478	V277-V281 WeakPolarHBondContact O-CG2 3.47Å; V277-V281 PolarHBondContact O-N 3.01Å; Y278-V281 PolarHBondContact O-N 3.3Å; V281-L354 HydrophobicContact CG1-CD1 4.01Å; V281-L451 HydrophobicContact CG1-CB 4Å; V281-L451 HydrophobicContact CG1-CD1 4.29Å; V281-L451 HydrophobicContact CG1-CD2 4.04Å; V281-L451 HydrophobicContact CG1-CG 4.32Å; V281-L451 HydrophobicContact CG2-CB 4.32Å; V281-I455 HydrophobicContact CG1-CG2 3.95Å; V281-I455 HydrophobicContact CG2-CD1 4.09Å; V281-F478 HydrophobicContact CG2-CD2 4.32Å; V281-F478 HydrophobicContact CG2-CE2 3.86Å
282	F	88.9	Confident	89.1	Confident	145 Å²	145	52.8 Å²	52.8	64%	0.636	27%	0.272	S	S	*	.	H	α-helix	trans	-80.9	-15.5	-179.1	-67.1	-67.8	0	0	0	114.7	Y278 L279 G280	Y278-F282 WeakPolarHBondContact O-CD2 3.47Å; Y278-F282 PolarHBondContact O-N 2.92Å; L279-F282 PolarHBondContact O-N 2.97Å; G280-F282 PolarHBondContact O-N 3.08Å; G280-F282 VanDerWaalsContact O-N 3.14Å
283	T	89.7	Confident	89.1	Confident	54 Å²	54	48.4 Å²	48.4	33%	0.331	25%	0.249	S	C	.	.	H	α-helix	trans	-108.4	-8.1	-175.5	56.5	0	0	0	0	113.8	L279 G280 N285	L279-T283 WeakPolarHBondContact O-CB 3.35Å; L279-T283 VanDerWaalsContact O-CG2 3.27Å; L279-T283 WeakPolarHBondContact O-CG2 3.36Å; L279-T283 PolarHBondContact O-N 3.27Å; L279-T283 PolarHBondContact O-OG1 2.81Å; G280-T283 PolarHBondContact O-N 3.11Å; G280-T283 PolarHBondContact O-OG1 2.84Å; T283-N285 PolarHBondContact O-N 2.87Å
284	V	87	Confident	89	Confident	13 Å²	13	48.4 Å²	48.4	8%	0.079	25%	0.25	C	C	.	.			trans	-61.2	124.1	176.8	168.3	0	0	0	0	110.5	G280 M351 F478	G280-V284 VanDerWaalsContact O-CG2 3.25Å; G280-V284 WeakPolarHBondContact O-CG2 3.43Å; G280-V284 PolarHBondContact O-N 2.71Å; V284-M351 HydrophobicContact CG1-CB 3.85Å; V284-M351 WeakPolarHBondContact CG1-O 3.33Å; V284-F478 HydrophobicContact CG2-CB 3.36Å; V284-F478 HydrophobicContact CG2-CG 4.38Å
285	N	84.4	Confident	88.9	Confident	99 Å²	99	47.6 Å²	47.6	53%	0.529	25%	0.246	S	C	.	.			trans	-127.7	152.8	171.7	-75.4	-38.8	0	0	0	108.6	T283 S287 R288 S289	T283-N285 PolarHBondContact O-N 2.87Å; N285-S287 PolarHBondContact O-N 2.9Å; N285-S287 VanDerWaalsContact O-N 3.08Å; N285-R288 PolarHBondContact O-N 2.91Å; N285-S289 PolarHBondContact O-N 2.96Å
286	P	84.1	Confident	88.5	Confident	53 Å²	53	44 Å²	44	34%	0.344	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-32.7	-178.6	20.1	-32.1	0	0	0	112.7	R288 S289 P349	P286-R288 VanDerWaalsContact C-N 3.31Å; P286-R288 PolarHBondContact O-N 3.49Å; P286-S289 PolarHBondContact O-N 2.83Å; P286-S289 PolarHBondContact O-OG 3.29Å; P286-P349 HydrophobicContact CB-CB 4.23Å; P286-P349 HydrophobicContact CB-CG 4.21Å
287	S	83.7	Confident	87.8	Confident	114 Å²	114	45.8 Å²	45.8	80%	0.797	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-23.3	177.9	-48.3	0	0	0	0	115	N285	N285-S287 PolarHBondContact O-N 2.9Å; N285-S287 VanDerWaalsContact O-N 3.08Å
288	R	83.6	Confident	87.6	Confident	128 Å²	128	45.3 Å²	45.3	48%	0.483	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-16.5	177.1	-175	174.9	171.5	138.1	-1.7	111.8	N285 P286 A479 P481	N285-R288 PolarHBondContact O-N 2.91Å; P286-R288 VanDerWaalsContact C-N 3.31Å; P286-R288 PolarHBondContact O-N 3.49Å; R288-A479 PolarHBondContact NH2-O 2.77Å; R288-P481 PolarHBondContact NH2-O 2.78Å
289	S	85.2	Confident	87.4	Confident	9 Å²	9	42.9 Å²	42.9	6%	0.063	24%	0.242	C	C	.	.	S	Bend	trans	-73.4	143.1	-177.5	74.9	0	0	0	0	111.7	N285 P286 P349 M351	N285-S289 PolarHBondContact O-N 2.96Å; P286-S289 PolarHBondContact O-N 2.83Å; P286-S289 PolarHBondContact O-OG 3.29Å; S289-P349 WeakPolarHBondContact OG-CB 3.13Å; S289-M351 VanDerWaalsContact CB-O 3.31Å; S289-M351 WeakPolarHBondContact CB-O 3.38Å
290	P	85.9	Confident	87.3	Confident	36 Å²	36	39.4 Å²	39.4	23%	0.234	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-66.1	140	169.2	28.5	-32.4	0	0	0	109.5	A350 Y469	P290-A350 HydrophobicContact CG-CB 4.17Å; P290-A350 WeakPolarHBondContact O-CB 3.27Å; P290-A350 PolarHBondContact O-N 3.41Å; P290-Y469 HydrophobicContact CG-CD2 4.34Å; P290-Y469 HydrophobicContact CG-CG 4.36Å
291	Y	89	Confident	87.1	Confident	95 Å²	95	40.1 Å²	40.1	37%	0.373	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	138.7	177	-78.6	-106.1	0	0	0	110.2	Y347 F348 P349	Y291-Y347 WeakPolarHBondContact CB-OH 3.39Å; Y291-Y347 AromaticContact CD1-CD1 3.98Å; Y291-Y347 HydrophobicContact CD1-CD1 3.98Å; Y291-Y347 AromaticContact CD1-CE1 3.8Å; Y291-Y347 HydrophobicContact CD1-CE1 3.8Å; Y291-Y347 AromaticContact CG-CE1 3.97Å; Y291-Y347 HydrophobicContact CG-CE1 3.97Å; Y291-F348 WeakPolarHBondContact CA-O 3.47Å; Y291-P349 HydrophobicContact CE1-CB 4.5Å
292	V	91.1	Very high	87	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	147.1	-178.8	-67.7	0	0	0	0	110.5	L299 Y347 F348 A350 V460 S468	V292-L299 HydrophobicContact CB-CD2 3.98Å; V292-L299 HydrophobicContact CG2-CD2 3.95Å; V292-Y347 WeakPolarHBondContact O-CA 3.28Å; V292-Y347 WeakPolarHBondContact O-CD2 3.34Å; V292-F348 HydrophobicContact CG2-CD1 4.35Å; V292-F348 HydrophobicContact CG2-CD2 3.81Å; V292-F348 HydrophobicContact CG2-CE1 4.05Å; V292-F348 HydrophobicContact CG2-CE2 3.47Å; V292-F348 VanDerWaalsContact CG2-CE2 3.47Å; V292-F348 HydrophobicContact CG2-CG 4.25Å; V292-F348 HydrophobicContact CG2-CZ 3.6Å; V292-F348 WeakPolarHBondContact CG2-O 3.43Å; V292-F348 PolarHBondContact N-O 3.46Å; V292-F348 PolarHBondContact O-N 3.4Å; V292-F348 VanDerWaalsContact O-N 3.15Å; V292-A350 HydrophobicContact CG1-CB 3.89Å; V292-A350 HydrophobicContact CG2-CB 4.35Å; V292-V460 HydrophobicContact CG1-CG2 4.31Å; V292-V460 HydrophobicContact CG2-CG2 4.14Å; V292-S468 WeakPolarHBondContact CG1-O 3.28Å
293	C	92.1	Very high	86.7	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	129.5	177.2	-170.1	0	0	0	0	109.7	L300 I305 C313 S346 Y347	C293-L300 PolarHBondContact O-N 2.94Å; C293-I305 HydrophobicContact CB-CD1 3.66Å; C293-C313 HydrophobicContact CB-CB 3.79Å; C293-C313 WeakPolarHBondContact CB-SG 3.34Å; C293-C313 WeakPolarHBondContact SG-CB 3.23Å; C293-C313 CovalentContact SG-SG 2.03Å; C293-C313 PolarHBondContact SG-SG 3.48Å; C293-S346 WeakPolarHBondContact CA-O 3.39Å; C293-Y347 HydrophobicContact CB-CD2 4.21Å
294	A	89.6	Confident	86.4	Confident	2 Å²	2	40.3 Å²	40.3	2%	0.017	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	140.1	173.6	0	0	0	0	0	112.1	R298 L299 I345 S346 F348	A294-R298 CarbonylContact C-O 3.59Å; A294-R298 WeakPolarHBondContact CA-O 3.31Å; A294-L299 HydrophobicContact CB-CD2 4.31Å; A294-I345 CarbonylContact O-C 3.31Å; A294-I345 VanDerWaalsContact O-CA 3.32Å; A294-I345 WeakPolarHBondContact O-CA 3.32Å; A294-S346 PolarHBondContact N-O 3.34Å; A294-S346 PolarHBondContact O-N 2.95Å; A294-F348 HydrophobicContact CB-CE1 3.92Å
295	L	89.2	Confident	86.3	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	109.1	173.9	177.7	67.9	0	0	0	108.7	G297 R298 L300 Y325 F339 F340 N343 I345	L295-G297 PolarHBondContact O-N 2.73Å; L295-R298 PolarHBondContact N-O 2.93Å; L295-R298 WeakPolarHBondContact O-CB 3.37Å; L295-R298 PolarHBondContact O-N 3.39Å; L295-L300 HydrophobicContact CB-CD1 4.37Å; L295-Y325 HydrophobicContact CD2-CD1 4.29Å; L295-Y325 HydrophobicContact CD2-CE1 3.72Å; L295-Y325 HydrophobicContact CD2-CE2 4.33Å; L295-F339 HydrophobicContact CD2-CD1 4.01Å; L295-F339 HydrophobicContact CD2-CE1 3.73Å; L295-F339 HydrophobicContact CG-CE1 4.01Å; L295-F340 HydrophobicContact CD1-CD2 4.23Å; L295-F340 HydrophobicContact CD2-CD2 4.13Å; L295-N343 HydrophobicContact CD1-CB 4.28Å; L295-N343 WeakPolarHBondContact CD1-O 3.39Å; L295-N343 HydrophobicContact CG-CB 4.44Å; L295-I345 HydrophobicContact CD1-CD1 4.29Å; L295-I345 HydrophobicContact CD1-CG1 3.53Å
296	G	82.8	Confident	86.2	Confident	31 Å²	31	37.5 Å²	37.5	32%	0.32	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	24.4	-177.6	0	0	0	0	0	114.4	N344	G296-N344 PolarHBondContact N-O 3.17Å
297	G	80.4	Confident	86.1	Confident	48 Å²	48	37.5 Å²	37.5	50%	0.495	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.1	-8.9	-173.9	0	0	0	0	0	114.9	L295	L295-G297 PolarHBondContact O-N 2.73Å
298	R	86.2	Confident	85.9	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	116.1	173.4	-69.4	-170.3	178.3	-179.2	-0.8	111.5	A294 L295 L300 D376 V378 F380 Q388 N391	A294-R298 CarbonylContact C-O 3.59Å; A294-R298 WeakPolarHBondContact CA-O 3.31Å; L295-R298 PolarHBondContact N-O 2.93Å; L295-R298 WeakPolarHBondContact O-CB 3.37Å; L295-R298 PolarHBondContact O-N 3.39Å; R298-L300 PolarHBondContact O-N 3.11Å; R298-D376 WeakPolarHBondContact CD-OD2 3.4Å; R298-D376 WeakPolarHBondContact CG-OD2 3.3Å; R298-D376 IonicContact CZ-OD1 3.76Å; R298-D376 IonicContact CZ-OD2 3.54Å; R298-D376 IonicContact NE-OD1 3.58Å; R298-D376 IonicContact NE-OD2 2.7Å; R298-D376 PolarHBondContact NE-OD2 3.32Å; R298-D376 IonicContact NH2-OD1 3.08Å; R298-D376 PolarHBondContact NH2-OD1 3.14Å; R298-D376 VanDerWaalsContact NH2-OD1 3.08Å; R298-D376 IonicContact NH2-OD2 3.47Å; R298-D376 PolarHBondContact NH2-OD2 2.94Å; R298-V378 PolarHBondContact NH2-O 3.09Å; R298-F380 VanDerWaalsContact NH1-CD1 3.31Å; R298-F380 PolarHBondContact NH1-O 2.9Å; R298-F380 PolarHBondContact NH2-O 2.84Å; R298-Q388 VanDerWaalsContact CD-CD 3.44Å; R298-Q388 VanDerWaalsContact CD-OE1 3.27Å; R298-N391 WeakPolarHBondContact CA-ND2 3.37Å; R298-N391 WeakPolarHBondContact CB-ND2 3.35Å
299	L	88.9	Confident	85.4	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	131.9	171.6	-69.2	173.1	0	0	0	111.1	V292 A294 F348 P390 N391 S459 V460	V292-L299 HydrophobicContact CB-CD2 3.98Å; V292-L299 HydrophobicContact CG2-CD2 3.95Å; A294-L299 HydrophobicContact CB-CD2 4.31Å; L299-F348 HydrophobicContact CD2-CZ 4.16Å; L299-P390 HydrophobicContact CB-CB 3.97Å; L299-P390 HydrophobicContact CB-CG 4.48Å; L299-N391 PolarHBondContact N-ND2 3.41Å; L299-N391 PolarHBondContact N-OD1 3.35Å; L299-N391 VanDerWaalsContact N-OD1 3.07Å; L299-N391 PolarHBondContact O-ND2 3.45Å; L299-S459 VanDerWaalsContact CD1-C 3.41Å; L299-S459 WeakPolarHBondContact CD1-O 3.34Å; L299-V460 HydrophobicContact CD1-CG2 4.22Å
300	L	89.8	Confident	85.2	Confident	0 Å²	0	41 Å²	41	0%	0	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-96.9	145.5	172	-61.5	175.7	0	0	0	109.5	C293 L295 R298 I305 I321 G387 Q388	C293-L300 PolarHBondContact O-N 2.94Å; L295-L300 HydrophobicContact CB-CD1 4.37Å; R298-L300 PolarHBondContact O-N 3.11Å; L300-I305 HydrophobicContact CB-CG2 4.09Å; L300-I305 HydrophobicContact CD1-CG2 4.25Å; L300-I321 HydrophobicContact CD1-CD1 3.72Å; L300-I321 HydrophobicContact CD1-CG1 4.07Å; L300-I321 HydrophobicContact CD1-CG2 4.2Å; L300-G387 CarbonylContact C-O 3.5Å; L300-G387 WeakPolarHBondContact CA-O 3.39Å; L300-Q388 HydrophobicContact CD2-CG 4.08Å
301	S	87.6	Confident	85	Confident	14 Å²	14	41 Å²	41	10%	0.098	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-61.2	137.2	172.7	176.2	0	0	0	0	110.6	D303 F304 I305 G387	S301-D303 VanDerWaalsContact C-N 3.31Å; S301-D303 PolarHBondContact O-N 3Å; S301-F304 WeakPolarHBondContact O-CB 3.45Å; S301-F304 PolarHBondContact O-N 3.3Å; S301-I305 PolarHBondContact O-N 2.86Å; S301-G387 PolarHBondContact N-O 2.78Å
302	Q	87.1	Confident	84.8	Confident	33 Å²	33	38.8 Å²	38.8	15%	0.154	25%	0.252	C	S	.	.	H	α-helix	trans	-61.6	-42.2	179.2	-174.2	68.5	13.3	0	0	110.8	F304 I305 T306 E467	Q302-F304 PolarHBondContact O-N 2.82Å; Q302-I305 WeakPolarHBondContact O-CG1 3.36Å; Q302-I305 PolarHBondContact O-N 3.02Å; Q302-I305 VanDerWaalsContact O-N 3.11Å; Q302-T306 HydrophobicContact CG-CG2 4.15Å; Q302-T306 VanDerWaalsContact O-CG2 3.31Å; Q302-T306 WeakPolarHBondContact O-CG2 3.47Å; Q302-T306 PolarHBondContact O-N 2.94Å; Q302-T306 VanDerWaalsContact O-N 3.1Å; Q302-T306 PolarHBondContact O-OG1 2.92Å; Q302-E467 PolarHBondContact N-O 2.86Å
303	D	82.5	Confident	84.5	Confident	120 Å²	120	39.9 Å²	39.9	64%	0.642	26%	0.26	S	S	*	.	H	α-helix	trans	-62.2	-31	-179.5	-65.4	-20.4	0	0	0	111.7	S301 T306	S301-D303 VanDerWaalsContact C-N 3.31Å; S301-D303 PolarHBondContact O-N 3Å; D303-T306 PolarHBondContact O-OG1 3.28Å
304	F	84.4	Confident	84.2	Confident	52 Å²	52	43.3 Å²	43.3	23%	0.228	28%	0.276	C	S	.	.	H	α-helix	trans	-73.6	-30.2	178.8	177.1	-95.2	0	0	0	112.7	S301 Q302 I321 A324	S301-F304 WeakPolarHBondContact O-CB 3.45Å; S301-F304 PolarHBondContact O-N 3.3Å; Q302-F304 PolarHBondContact O-N 2.82Å; F304-I321 HydrophobicContact CE1-CG1 4.22Å; F304-A324 HydrophobicContact CE2-CB 3.75Å; F304-A324 HydrophobicContact CZ-CB 3.39Å
305	I	85.1	Confident	84	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-94.8	-12.6	-178.8	65.2	171.1	0	0	0	113.5	C293 L300 S301 Q302 V307 A311 Q312 I321	C293-I305 HydrophobicContact CB-CD1 3.66Å; L300-I305 HydrophobicContact CB-CG2 4.09Å; L300-I305 HydrophobicContact CD1-CG2 4.25Å; S301-I305 PolarHBondContact O-N 2.86Å; Q302-I305 WeakPolarHBondContact O-CG1 3.36Å; Q302-I305 PolarHBondContact O-N 3.02Å; Q302-I305 VanDerWaalsContact O-N 3.11Å; I305-V307 PolarHBondContact O-N 3.41Å; I305-A311 HydrophobicContact CD1-CB 4.07Å; I305-A311 HydrophobicContact CG1-CB 4.34Å; I305-Q312 PolarHBondContact O-N 3.06Å; I305-I321 HydrophobicContact CG2-CD1 4.14Å; I305-I321 HydrophobicContact CG2-CG1 4.18Å
306	T	82.8	Confident	83.8	Confident	52 Å²	52	51 Å²	51	32%	0.319	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	110.1	-178.4	49	0	0	0	0	111.9	Q302 D303 T310 A311	Q302-T306 HydrophobicContact CG-CG2 4.15Å; Q302-T306 VanDerWaalsContact O-CG2 3.31Å; Q302-T306 WeakPolarHBondContact O-CG2 3.47Å; Q302-T306 PolarHBondContact O-N 2.94Å; Q302-T306 VanDerWaalsContact O-N 3.1Å; Q302-T306 PolarHBondContact O-OG1 2.92Å; D303-T306 PolarHBondContact O-OG1 3.28Å; T306-T310 WeakPolarHBondContact CA-O 3.5Å; T306-A311 HydrophobicContact CG2-CB 4.32Å
307	V	80.3	Confident	83.8	Confident	53 Å²	53	53.8 Å²	53.8	32%	0.321	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	125.4	172.8	-175.9	0	0	0	0	108.1	I305 G309 T310 P320	I305-V307 PolarHBondContact O-N 3.41Å; V307-G309 PolarHBondContact O-N 3.01Å; V307-T310 PolarHBondContact N-O 3.47Å; V307-T310 PolarHBondContact O-N 2.99Å; V307-T310 VanDerWaalsContact O-N 3.09Å; V307-T310 PolarHBondContact O-OG1 3.49Å; V307-P320 HydrophobicContact CG2-CB 4.03Å; V307-P320 HydrophobicContact CG2-CG 3.85Å
308	N	80.1	Confident	83.8	Confident	165 Å²	165	56.8 Å²	56.8	88%	0.882	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	34.5	-176.2	-60.9	-24.7	0	0	0	114.3	T310	N308-T310 VanDerWaalsContact C-N 3.28Å; N308-T310 PolarHBondContact O-N 3.03Å
309	G	74.3	Confident	83.7	Confident	77 Å²	77	56.8 Å²	56.8	79%	0.794	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	2	179.4	0	0	0	0	0	115.2	V307	V307-G309 PolarHBondContact O-N 3.01Å
310	T	80.8	Confident	83.5	Confident	82 Å²	82	57.4 Å²	57.4	50%	0.503	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	129.3	175.6	59	0	0	0	0	110.6	T306 V307 N308 Q312	T306-T310 WeakPolarHBondContact CA-O 3.5Å; V307-T310 PolarHBondContact N-O 3.47Å; V307-T310 PolarHBondContact O-N 2.99Å; V307-T310 VanDerWaalsContact O-N 3.09Å; V307-T310 PolarHBondContact O-OG1 3.49Å; N308-T310 VanDerWaalsContact C-N 3.28Å; N308-T310 PolarHBondContact O-N 3.03Å; T310-Q312 PolarHBondContact O-N 3.42Å
311	A	80.3	Confident	83.4	Confident	36 Å²	36	57.4 Å²	57.4	30%	0.298	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	111	176.7	0	0	0	0	0	110.1	I305 T306 C313	I305-A311 HydrophobicContact CD1-CB 4.07Å; I305-A311 HydrophobicContact CG1-CB 4.34Å; T306-A311 HydrophobicContact CG2-CB 4.32Å; A311-C313 PolarHBondContact O-N 3.2Å
312	Q	84.6	Confident	83.3	Confident	49 Å²	49	59.8 Å²	59.8	23%	0.229	34%	0.344	C	S	.	.			trans	-96	80	-178	-66.7	-173.3	6.5	0	0	111.2	I305 T310 H314 P320	I305-Q312 PolarHBondContact O-N 3.06Å; T310-Q312 PolarHBondContact O-N 3.42Å; Q312-H314 PolarHBondContact O-N 2.95Å; Q312-P320 HydrophobicContact CB-CG 4.35Å
313	C	85.3	Confident	83.3	Confident	23 Å²	23	63.2 Å²	63.2	16%	0.155	36%	0.36	C	S	.	.			trans	-92	64	177.3	-171.2	0	0	0	0	111.5	C293 A311 I345 Y347	C293-C313 HydrophobicContact CB-CB 3.79Å; C293-C313 WeakPolarHBondContact CB-SG 3.34Å; C293-C313 WeakPolarHBondContact SG-CB 3.23Å; C293-C313 CovalentContact SG-SG 2.03Å; C293-C313 PolarHBondContact SG-SG 3.48Å; A311-C313 PolarHBondContact O-N 3.2Å; C313-I345 WeakPolarHBondContact SG-CG2 3.37Å; C313-Y347 HydrophobicContact CB-CD2 3.72Å; C313-Y347 HydrophobicContact CB-CE2 4.18Å; C313-Y347 HydrophobicContact CB-CG 4.24Å
314	H	86.3	Confident	83.4	Confident	72 Å²	72	57.8 Å²	57.8	33%	0.333	33%	0.332	S	S	.	.	S	Bend	trans	-141.8	157.7	-179.1	58.6	44.4	0	0	0	112.6	Q312 N316	Q312-H314 PolarHBondContact O-N 2.95Å; H314-N316 VanDerWaalsContact ND1-CB 3.34Å; H314-N316 WeakPolarHBondContact ND1-CB 3.36Å; H314-N316 PolarHBondContact ND1-N 2.98Å; H314-N316 PolarHBondContact O-N 2.94Å
315	K	84.8	Confident	83.6	Confident	76 Å²	76	55.3 Å²	55.3	33%	0.33	32%	0.321	S	S	.	.			trans	-81.3	18.2	178.7	-69.7	-164.2	173.6	-163.5	0	115.2	F340 N341 N343 I345	K315-F340 HydrophobicContact CB-CE1 4.42Å; K315-F340 HydrophobicContact CB-CZ 3.85Å; K315-F340 HydrophobicContact CD-CE1 4.47Å; K315-F340 HydrophobicContact CD-CZ 4.32Å; K315-F340 HydrophobicContact CG-CE1 4.41Å; K315-F340 HydrophobicContact CG-CE2 4.22Å; K315-F340 HydrophobicContact CG-CZ 3.8Å; K315-F340 PolarHBondContact NZ-O 2.93Å; K315-N341 PolarHBondContact NZ-O 3.37Å; K315-N343 WeakPolarHBondContact CE-O 3.15Å; K315-N343 PolarHBondContact NZ-O 3.43Å; K315-I345 HydrophobicContact CB-CD1 4.41Å; K315-I345 HydrophobicContact CG-CD1 3.44Å; K315-I345 VanDerWaalsContact CG-CD1 3.44Å; K315-I345 HydrophobicContact CG-CG1 3.89Å
316	N	85.7	Confident	83.7	Confident	88 Å²	88	56.7 Å²	56.7	47%	0.471	33%	0.33	S	S	.	.			trans	-67.4	143.6	-177.8	-150.5	9.7	0	0	0	111.4	H314 T318 G319 Y322	H314-N316 VanDerWaalsContact ND1-CB 3.34Å; H314-N316 WeakPolarHBondContact ND1-CB 3.36Å; H314-N316 PolarHBondContact ND1-N 2.98Å; H314-N316 PolarHBondContact O-N 2.94Å; N316-T318 PolarHBondContact ND2-OG1 2.85Å; N316-T318 PolarHBondContact O-N 2.89Å; N316-T318 VanDerWaalsContact O-N 3.13Å; N316-G319 PolarHBondContact O-N 2.97Å; N316-Y322 WeakPolarHBondContact O-CB 3.32Å
317	T	81.7	Confident	83.9	Confident	89 Å²	89	59.2 Å²	59.2	55%	0.546	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-16.7	-176.7	50.7	0	0	0	0	113.7	Y322	T317-Y322 HydrophobicContact CG2-CE1 4.19Å; T317-Y322 HydrophobicContact CG2-CE2 4.31Å; T317-Y322 WeakPolarHBondContact O-CD1 3.42Å
318	T	81.4	Confident	84	Confident	111 Å²	111	58.7 Å²	58.7	68%	0.681	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	0.6	175.8	55.6	0	0	0	0	113.7	N316	N316-T318 PolarHBondContact ND2-OG1 2.85Å; N316-T318 PolarHBondContact O-N 2.89Å; N316-T318 VanDerWaalsContact O-N 3.13Å
319	G	82.9	Confident	83.9	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	34%	0.335	C	S	.	.	S	Bend	trans	-84	156	-176.8	0	0	0	0	0	113.4	N316 I321 Y322 E323	N316-G319 PolarHBondContact O-N 2.97Å; G319-I321 PolarHBondContact O-N 3.45Å; G319-Y322 PolarHBondContact O-N 3.5Å; G319-Y322 VanDerWaalsContact O-N 3.13Å; G319-E323 PolarHBondContact O-N 3.32Å
320	P	85.6	Confident	84	Confident	14 Å²	14	61.6 Å²	61.6	9%	0.091	34%	0.336	C	S	.	.	H	α-helix	trans	-61.7	-31.6	-178.9	26.2	-35.7	0	0	0	112.6	V307 Q312 E323 A324	V307-P320 HydrophobicContact CG2-CB 4.03Å; V307-P320 HydrophobicContact CG2-CG 3.85Å; Q312-P320 HydrophobicContact CB-CG 4.35Å; P320-E323 PolarHBondContact O-N 3.03Å; P320-A324 PolarHBondContact O-N 3.43Å; P320-A324 VanDerWaalsContact O-N 3.12Å
321	I	86.8	Confident	83.9	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-68	-44.6	178	-50.5	173.4	0	0	0	110.4	L300 F304 I305 G319 E323 Y325 F340 I345	L300-I321 HydrophobicContact CD1-CD1 3.72Å; L300-I321 HydrophobicContact CD1-CG1 4.07Å; L300-I321 HydrophobicContact CD1-CG2 4.2Å; F304-I321 HydrophobicContact CE1-CG1 4.22Å; I305-I321 HydrophobicContact CG2-CD1 4.14Å; I305-I321 HydrophobicContact CG2-CG1 4.18Å; G319-I321 PolarHBondContact O-N 3.45Å; I321-E323 VanDerWaalsContact C-N 3.31Å; I321-E323 PolarHBondContact O-N 3.38Å; I321-Y325 HydrophobicContact CG2-CD2 4.05Å; I321-Y325 HydrophobicContact CG2-CE2 4.05Å; I321-Y325 WeakPolarHBondContact O-CD2 3.48Å; I321-Y325 PolarHBondContact O-N 3.5Å; I321-F340 HydrophobicContact CB-CE2 4.31Å; I321-F340 HydrophobicContact CG2-CD2 3.9Å; I321-F340 HydrophobicContact CG2-CE2 3.64Å; I321-I345 HydrophobicContact CD1-CD1 4.13Å
322	Y	87.4	Confident	83.8	Confident	64 Å²	64	59.3 Å²	59.3	25%	0.251	32%	0.319	S	S	.	.	H	α-helix	trans	-66.3	-38.3	176.9	-176.2	-95.9	0	0	0	111.1	N316 T317 G319 A324 Y325 C326 N327 F340	N316-Y322 WeakPolarHBondContact O-CB 3.32Å; T317-Y322 HydrophobicContact CG2-CE1 4.19Å; T317-Y322 HydrophobicContact CG2-CE2 4.31Å; T317-Y322 WeakPolarHBondContact O-CD1 3.42Å; G319-Y322 PolarHBondContact O-N 3.5Å; G319-Y322 VanDerWaalsContact O-N 3.13Å; Y322-A324 PolarHBondContact O-N 3.28Å; Y322-Y325 PolarHBondContact O-N 3.18Å; Y322-C326 HydrophobicContact CD1-CB 4.46Å; Y322-C326 HydrophobicContact CD2-CB 4.06Å; Y322-C326 HydrophobicContact CE1-CB 4.15Å; Y322-C326 HydrophobicContact CE2-CB 3.71Å; Y322-C326 HydrophobicContact CG-CB 4.44Å; Y322-C326 PolarHBondContact O-N 2.96Å; Y322-N327 HydrophobicContact CD1-CB 4.5Å; Y322-N327 HydrophobicContact CE1-CB 4.45Å; Y322-N327 PolarHBondContact O-N 2.89Å; Y322-F340 HydrophobicContact CD2-CD1 4.23Å; Y322-F340 AromaticContact CD2-CE1 3.62Å; Y322-F340 HydrophobicContact CD2-CE1 3.62Å; Y322-F340 HydrophobicContact CD2-CZ 4.05Å; Y322-F340 HydrophobicContact CE2-CE1 4.33Å
323	E	85.9	Confident	83.8	Confident	104 Å²	104	60.1 Å²	60.1	49%	0.486	33%	0.327	S	S	.	.	I	π-helix	trans	-58.4	-47.9	178.7	-170.7	173.1	-175.8	0	0	112.1	G319 P320 I321 N327 N328	G319-E323 PolarHBondContact O-N 3.32Å; P320-E323 PolarHBondContact O-N 3.03Å; I321-E323 VanDerWaalsContact C-N 3.31Å; I321-E323 PolarHBondContact O-N 3.38Å; E323-N327 HydrophobicContact CG-CB 4.5Å; E323-N327 PolarHBondContact O-N 3.28Å; E323-N328 VanDerWaalsContact O-CB 3.3Å; E323-N328 WeakPolarHBondContact O-CB 3.25Å; E323-N328 PolarHBondContact O-N 3.23Å
324	A	85.2	Confident	83.7	Confident	7 Å²	7	67.7 Å²	67.7	6%	0.058	36%	0.361	C	S	.	.	I	π-helix	trans	-74.6	-31.3	-179	0	0	0	0	0	114.6	F304 P320 Y322	F304-A324 HydrophobicContact CE2-CB 3.75Å; F304-A324 HydrophobicContact CZ-CB 3.39Å; P320-A324 PolarHBondContact O-N 3.43Å; P320-A324 VanDerWaalsContact O-N 3.12Å; Y322-A324 PolarHBondContact O-N 3.28Å
325	Y	87.3	Confident	83.7	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	38%	0.375	C	S	.	.	I	π-helix	trans	-90.8	-25.7	-175.5	-76.5	-107	0	0	0	113.8	L295 I321 Y322 A332 S336 C337 F339 F340 F380 Y386 Q388	L295-Y325 HydrophobicContact CD2-CD1 4.29Å; L295-Y325 HydrophobicContact CD2-CE1 3.72Å; L295-Y325 HydrophobicContact CD2-CE2 4.33Å; I321-Y325 HydrophobicContact CG2-CD2 4.05Å; I321-Y325 HydrophobicContact CG2-CE2 4.05Å; I321-Y325 WeakPolarHBondContact O-CD2 3.48Å; I321-Y325 PolarHBondContact O-N 3.5Å; Y322-Y325 PolarHBondContact O-N 3.18Å; Y325-A332 WeakPolarHBondContact O-CB 3.43Å; Y325-S336 CarbonylContact O-C 3.39Å; Y325-S336 PolarHBondContact O-OG 2.94Å; Y325-C337 WeakPolarHBondContact O-CA 2.91Å; Y325-C337 PolarHBondContact O-N 3.3Å; Y325-C337 VanDerWaalsContact O-N 3.14Å; Y325-F339 HydrophobicContact CD1-CD1 4.35Å; Y325-F339 AromaticContact CE1-CD1 3.91Å; Y325-F339 HydrophobicContact CE1-CD1 3.91Å; Y325-F339 HydrophobicContact CE1-CE1 4.25Å; Y325-F340 HydrophobicContact CD1-CB 4.13Å; Y325-F340 HydrophobicContact CG-CB 4.21Å; Y325-F380 HydrophobicContact CE1-CE1 4.3Å; Y325-Y386 HydrophobicContact CD1-CD1 4.31Å; Y325-Y386 HydrophobicContact CD2-CD1 4.38Å; Y325-Y386 HydrophobicContact CE1-CD1 4.34Å; Y325-Y386 HydrophobicContact CE1-CG 4.35Å; Y325-Y386 HydrophobicContact CE2-CD1 4.43Å; Y325-Y386 WeakPolarHBondContact CE2-O 3.43Å; Y325-Y386 HydrophobicContact CG-CD1 4.36Å; Y325-Y386 PolarHBondContact OH-O 3.28Å; Y325-Q388 VanDerWaalsContact OH-CG 3.26Å; Y325-Q388 WeakPolarHBondContact OH-CG 3.31Å; Y325-Q388 PolarHBondContact OH-NE2 3.14Å
326	C	88	Confident	83.7	Confident	28 Å²	28	67.2 Å²	67.2	19%	0.189	36%	0.359	C	S	.	.	I	π-helix	trans	-130.3	-30.9	-173.3	-68.1	0	0	0	0	115	Y322 C337	Y322-C326 HydrophobicContact CD1-CB 4.46Å; Y322-C326 HydrophobicContact CD2-CB 4.06Å; Y322-C326 HydrophobicContact CE1-CB 4.15Å; Y322-C326 HydrophobicContact CE2-CB 3.71Å; Y322-C326 HydrophobicContact CG-CB 4.44Å; Y322-C326 PolarHBondContact O-N 2.96Å; C326-C337 HydrophobicContact CB-CB 3.92Å; C326-C337 WeakPolarHBondContact CB-SG 3.29Å; C326-C337 WeakPolarHBondContact SG-CA 3.49Å; C326-C337 WeakPolarHBondContact SG-CB 3.46Å; C326-C337 CovalentContact SG-SG 2.05Å; C326-C337 PolarHBondContact SG-SG 3.47Å
327	N	86.6	Confident	83.8	Confident	106 Å²	106	64.4 Å²	64.4	57%	0.567	35%	0.346	S	S	*	.	I	π-helix	trans	-101.1	-32.2	-169	-162.7	36.2	0	0	0	114.1	Y322 E323 P329	Y322-N327 HydrophobicContact CD1-CB 4.5Å; Y322-N327 HydrophobicContact CE1-CB 4.45Å; Y322-N327 PolarHBondContact O-N 2.89Å; E323-N327 HydrophobicContact CG-CB 4.5Å; E323-N327 PolarHBondContact O-N 3.28Å; N327-P329 VanDerWaalsContact O-CD 3.26Å; N327-P329 WeakPolarHBondContact O-CD 3.42Å
328	N	83.3	Confident	84.1	Confident	42 Å²	42	62.9 Å²	62.9	23%	0.225	34%	0.343	C	S	.	.			trans	-77.4	111.9	-172.8	-174	-15.1	0	0	0	111.1	E323 E330 I331 A332	E323-N328 VanDerWaalsContact O-CB 3.3Å; E323-N328 WeakPolarHBondContact O-CB 3.25Å; E323-N328 PolarHBondContact O-N 3.23Å; N328-E330 PolarHBondContact O-N 3Å; N328-E330 VanDerWaalsContact O-N 3.14Å; N328-E330 PolarHBondContact OD1-N 3.42Å; N328-I331 WeakPolarHBondContact ND2-CD1 3.31Å; N328-I331 PolarHBondContact O-N 3Å; N328-A332 WeakPolarHBondContact O-CB 3.43Å; N328-A332 PolarHBondContact O-N 2.94Å
329	P	76.8	Confident	84.4	Confident	127 Å²	127	58.4 Å²	58.4	83%	0.825	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-16.9	-175.3	28.4	-35.6	0	0	0	114.1	N327	N327-P329 VanDerWaalsContact O-CD 3.26Å; N327-P329 WeakPolarHBondContact O-CD 3.42Å
330	E	77.6	Confident	84.7	Confident	175 Å²	175	58.6 Å²	58.6	82%	0.818	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-21.6	178.6	-64.7	-171.9	170.6	0	0	113.5	N328	N328-E330 PolarHBondContact O-N 3Å; N328-E330 VanDerWaalsContact O-N 3.14Å; N328-E330 PolarHBondContact OD1-N 3.42Å
331	I	78.6	Confident	84.8	Confident	45 Å²	45	62.8 Å²	62.8	23%	0.231	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.4	-40.6	-169.8	-54.3	178.4	0	0	0	111.6	N328 K385 Y386	N328-I331 WeakPolarHBondContact ND2-CD1 3.31Å; N328-I331 PolarHBondContact O-N 3Å; I331-K385 HydrophobicContact CG2-CB 3.88Å; I331-K385 HydrophobicContact CG2-CD 4.49Å; I331-Y386 HydrophobicContact CG2-CD1 4.03Å; I331-Y386 HydrophobicContact CG2-CE1 3.69Å; I331-Y386 PolarHBondContact O-OH 2.67Å
332	A	79	Confident	84.9	Confident	26 Å²	26	66.5 Å²	66.5	22%	0.215	37%	0.367	C	S	.	.			trans	-75.6	128.6	-173	0	0	0	0	0	112	Y325 N328	Y325-A332 WeakPolarHBondContact O-CB 3.43Å; N328-A332 WeakPolarHBondContact O-CB 3.43Å; N328-A332 PolarHBondContact O-N 2.94Å
333	T	83.5	Confident	85	Confident	66 Å²	66	65.3 Å²	65.3	41%	0.405	37%	0.365	S	S	.	.			trans	-108.8	161.9	170.5	63.3	0	0	0	0	110.4	E335 S336 C337	T333-E335 PolarHBondContact O-N 3.24Å; T333-S336 PolarHBondContact N-OG 3.17Å; T333-S336 PolarHBondContact O-N 3.3Å; T333-S336 VanDerWaalsContact O-N 3.11Å; T333-S336 PolarHBondContact O-OG 3Å; T333-S336 PolarHBondContact OG1-N 2.84Å; T333-S336 VanDerWaalsContact OG1-N 3.1Å; T333-S336 PolarHBondContact OG1-OG 3.48Å; T333-C337 PolarHBondContact O-N 3.08Å; T333-C337 VanDerWaalsContact O-N 3.09Å
334	E	83.7	Confident	85.1	Confident	182 Å²	182	66.7 Å²	66.7	85%	0.85	38%	0.376	S	S	*	.	H	α-helix	trans	-57.6	-36.2	174.1	-169.1	174.5	-177.3	0	0	111.1	C337 A338	E334-C337 PolarHBondContact O-N 3.48Å; E334-A338 WeakPolarHBondContact O-CB 3.27Å; E334-A338 PolarHBondContact O-N 3.5Å
335	E	85	Confident	85.3	Confident	137 Å²	137	68.2 Å²	68.2	64%	0.64	38%	0.383	S	S	*	.	H	α-helix	trans	-66	-40.6	174.7	-62.1	179.7	178	0	0	113	T333 C337 A338 F339	T333-E335 PolarHBondContact O-N 3.24Å; E335-C337 VanDerWaalsContact C-N 3.35Å; E335-A338 PolarHBondContact O-N 2.92Å; E335-F339 WeakPolarHBondContact O-CB 3.49Å; E335-F339 PolarHBondContact O-N 3.28Å
336	S	86.2	Confident	85.4	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-67	-38.6	178.1	66.3	0	0	0	0	111.6	Y325 T333 F339 F340	Y325-S336 CarbonylContact O-C 3.39Å; Y325-S336 PolarHBondContact O-OG 2.94Å; T333-S336 PolarHBondContact N-OG 3.17Å; T333-S336 PolarHBondContact O-N 3.3Å; T333-S336 VanDerWaalsContact O-N 3.11Å; T333-S336 PolarHBondContact O-OG 3Å; T333-S336 PolarHBondContact OG1-N 2.84Å; T333-S336 VanDerWaalsContact OG1-N 3.1Å; T333-S336 PolarHBondContact OG1-OG 3.48Å; S336-F339 WeakPolarHBondContact O-CB 3.32Å; S336-F339 PolarHBondContact O-N 3.27Å; S336-F340 PolarHBondContact O-N 2.96Å
337	C	87.8	Confident	85.5	Confident	29 Å²	29	74.8 Å²	74.8	20%	0.196	41%	0.412	C	S	.	.	H	α-helix	trans	-70.6	-37.3	177.1	-165.3	0	0	0	0	111.6	Y325 C326 T333 E334 E335 F339 F340 N341	Y325-C337 WeakPolarHBondContact O-CA 2.91Å; Y325-C337 PolarHBondContact O-N 3.3Å; Y325-C337 VanDerWaalsContact O-N 3.14Å; C326-C337 HydrophobicContact CB-CB 3.92Å; C326-C337 WeakPolarHBondContact CB-SG 3.29Å; C326-C337 WeakPolarHBondContact SG-CA 3.49Å; C326-C337 WeakPolarHBondContact SG-CB 3.46Å; C326-C337 CovalentContact SG-SG 2.05Å; C326-C337 PolarHBondContact SG-SG 3.47Å; T333-C337 PolarHBondContact O-N 3.08Å; T333-C337 VanDerWaalsContact O-N 3.09Å; E334-C337 PolarHBondContact O-N 3.48Å; E335-C337 VanDerWaalsContact C-N 3.35Å; C337-F339 PolarHBondContact O-N 3.39Å; C337-F340 PolarHBondContact O-N 3.23Å; C337-N341 PolarHBondContact O-N 3.35Å; C337-N341 PolarHBondContact O-ND2 3.27Å
338	A	87.8	Confident	85.7	Confident	58 Å²	58	72 Å²	72	48%	0.479	40%	0.395	S	S	.	.	H	α-helix	trans	-60.3	-43.7	171.2	0	0	0	0	0	111.8	E334 E335 F340 N341 A342	E334-A338 WeakPolarHBondContact O-CB 3.27Å; E334-A338 PolarHBondContact O-N 3.5Å; E335-A338 PolarHBondContact O-N 2.92Å; A338-F340 PolarHBondContact O-N 3.16Å; A338-N341 PolarHBondContact O-N 3.07Å; A338-A342 WeakPolarHBondContact O-CB 3.18Å; A338-A342 PolarHBondContact O-N 2.96Å
339	F	87.5	Confident	86.1	Confident	16 Å²	16	71.4 Å²	71.4	7%	0.07	39%	0.394	C	S	.	.	H	α-helix	trans	-60.2	-44.6	175.9	178.5	-91.1	0	0	0	112.6	L295 Y325 E335 S336 C337 N341 A342 N343 V378 F380	L295-F339 HydrophobicContact CD2-CD1 4.01Å; L295-F339 HydrophobicContact CD2-CE1 3.73Å; L295-F339 HydrophobicContact CG-CE1 4.01Å; Y325-F339 HydrophobicContact CD1-CD1 4.35Å; Y325-F339 AromaticContact CE1-CD1 3.91Å; Y325-F339 HydrophobicContact CE1-CD1 3.91Å; Y325-F339 HydrophobicContact CE1-CE1 4.25Å; E335-F339 WeakPolarHBondContact O-CB 3.49Å; E335-F339 PolarHBondContact O-N 3.28Å; S336-F339 WeakPolarHBondContact O-CB 3.32Å; S336-F339 PolarHBondContact O-N 3.27Å; C337-F339 PolarHBondContact O-N 3.39Å; F339-N341 VanDerWaalsContact C-N 3.35Å; F339-N341 PolarHBondContact O-N 3.44Å; F339-A342 PolarHBondContact O-N 3.11Å; F339-N343 WeakPolarHBondContact CD2-ND2 3.34Å; F339-N343 WeakPolarHBondContact CE2-ND2 3.28Å; F339-N343 VanDerWaalsContact CZ-ND2 3.27Å; F339-N343 WeakPolarHBondContact CZ-ND2 3.26Å; F339-N343 WeakPolarHBondContact O-CB 3.41Å; F339-N343 PolarHBondContact O-N 3.02Å; F339-N343 PolarHBondContact O-ND2 2.84Å; F339-V378 HydrophobicContact CD2-CG1 4.38Å; F339-V378 HydrophobicContact CE2-CG1 3.61Å; F339-F380 HydrophobicContact CB-CD1 4.3Å; F339-F380 HydrophobicContact CB-CD2 4.36Å; F339-F380 HydrophobicContact CB-CG 4.15Å; F339-F380 AromaticContact CD1-CD1 3.93Å; F339-F380 HydrophobicContact CD1-CD1 3.93Å; F339-F380 HydrophobicContact CD1-CE1 4.32Å; F339-F380 HydrophobicContact CD2-CB 3.36Å; F339-F380 AromaticContact CD2-CD1 3.83Å; F339-F380 HydrophobicContact CD2-CD1 3.83Å; F339-F380 AromaticContact CD2-CG 3.72Å; F339-F380 HydrophobicContact CD2-CG 3.72Å; F339-F380 HydrophobicContact CE1-CD1 4.19Å; F339-F380 HydrophobicContact CE2-CB 3.68Å; F339-F380 HydrophobicContact CE2-CD1 4.04Å; F339-F380 HydrophobicContact CE2-CG 4.21Å; F339-F380 HydrophobicContact CG-CB 4.06Å; F339-F380 AromaticContact CG-CD1 3.75Å; F339-F380 HydrophobicContact CG-CD1 3.75Å; F339-F380 HydrophobicContact CG-CE1 4.41Å; F339-F380 AromaticContact CG-CG 3.89Å; F339-F380 HydrophobicContact CG-CG 3.89Å; F339-F380 HydrophobicContact CZ-CD1 4.25Å
340	F	88.2	Confident	86.6	Confident	4 Å²	4	65.4 Å²	65.4	2%	0.018	36%	0.355	C	S	.	.	H	α-helix	trans	-62.7	-40.6	177.4	172.4	-92.9	0	0	0	112.5	L295 K315 I321 Y322 Y325 S336 C337 A338 I345	L295-F340 HydrophobicContact CD1-CD2 4.23Å; L295-F340 HydrophobicContact CD2-CD2 4.13Å; K315-F340 HydrophobicContact CB-CE1 4.42Å; K315-F340 HydrophobicContact CB-CZ 3.85Å; K315-F340 HydrophobicContact CD-CE1 4.47Å; K315-F340 HydrophobicContact CD-CZ 4.32Å; K315-F340 HydrophobicContact CG-CE1 4.41Å; K315-F340 HydrophobicContact CG-CE2 4.22Å; K315-F340 HydrophobicContact CG-CZ 3.8Å; K315-F340 PolarHBondContact NZ-O 2.93Å; I321-F340 HydrophobicContact CB-CE2 4.31Å; I321-F340 HydrophobicContact CG2-CD2 3.9Å; I321-F340 HydrophobicContact CG2-CE2 3.64Å; Y322-F340 HydrophobicContact CD2-CD1 4.23Å; Y322-F340 AromaticContact CD2-CE1 3.62Å; Y322-F340 HydrophobicContact CD2-CE1 3.62Å; Y322-F340 HydrophobicContact CD2-CZ 4.05Å; Y322-F340 HydrophobicContact CE2-CE1 4.33Å; Y325-F340 HydrophobicContact CD1-CB 4.13Å; Y325-F340 HydrophobicContact CG-CB 4.21Å; S336-F340 PolarHBondContact O-N 2.96Å; C337-F340 PolarHBondContact O-N 3.23Å; A338-F340 PolarHBondContact O-N 3.16Å; F340-I345 HydrophobicContact CE2-CD1 4.16Å
341	N	88.4	Confident	87.3	Confident	102 Å²	102	57.1 Å²	57.1	55%	0.545	32%	0.316	S	S	.	.	H	α-helix	trans	-70.6	-40.1	178.8	-72.7	-29.1	0	0	0	111.9	K315 C337 A338 F339	K315-N341 PolarHBondContact NZ-O 3.37Å; C337-N341 PolarHBondContact O-N 3.35Å; C337-N341 PolarHBondContact O-ND2 3.27Å; A338-N341 PolarHBondContact O-N 3.07Å; F339-N341 VanDerWaalsContact C-N 3.35Å; F339-N341 PolarHBondContact O-N 3.44Å
342	A	89.3	Confident	87.7	Confident	78 Å²	78	56.1 Å²	56.1	65%	0.645	31%	0.313	S	S	*	.	H	α-helix	trans	-68.4	-35.2	-178.2	0	0	0	0	0	113.9	A338 F339	A338-A342 WeakPolarHBondContact O-CB 3.18Å; A338-A342 PolarHBondContact O-N 2.96Å; F339-A342 PolarHBondContact O-N 3.11Å
343	N	88.4	Confident	88.1	Confident	39 Å²	39	55 Å²	55	21%	0.209	30%	0.303	C	S	.	.	S	Bend	trans	-102.7	135.3	-169.5	-73.6	-39.5	0	0	0	113.5	L295 K315 F339	L295-N343 HydrophobicContact CD1-CB 4.28Å; L295-N343 WeakPolarHBondContact CD1-O 3.39Å; L295-N343 HydrophobicContact CG-CB 4.44Å; K315-N343 WeakPolarHBondContact CE-O 3.15Å; K315-N343 PolarHBondContact NZ-O 3.43Å; F339-N343 WeakPolarHBondContact CD2-ND2 3.34Å; F339-N343 WeakPolarHBondContact CE2-ND2 3.28Å; F339-N343 VanDerWaalsContact CZ-ND2 3.27Å; F339-N343 WeakPolarHBondContact CZ-ND2 3.26Å; F339-N343 WeakPolarHBondContact O-CB 3.41Å; F339-N343 PolarHBondContact O-N 3.02Å; F339-N343 PolarHBondContact O-ND2 2.84Å
344	N	89.9	Confident	88.2	Confident	134 Å²	134	55.7 Å²	55.7	72%	0.717	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-74.4	147.8	177.1	-71.5	-20.1	0	0	0	112.2	G296	G296-N344 PolarHBondContact N-O 3.17Å
345	I	89.2	Confident	88.2	Confident	39 Å²	39	53.5 Å²	53.5	20%	0.2	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	131.8	171.8	-66.5	-178.9	0	0	0	108.6	A294 L295 C313 K315 I321 F340	A294-I345 CarbonylContact O-C 3.31Å; A294-I345 VanDerWaalsContact O-CA 3.32Å; A294-I345 WeakPolarHBondContact O-CA 3.32Å; L295-I345 HydrophobicContact CD1-CD1 4.29Å; L295-I345 HydrophobicContact CD1-CG1 3.53Å; C313-I345 WeakPolarHBondContact SG-CG2 3.37Å; K315-I345 HydrophobicContact CB-CD1 4.41Å; K315-I345 HydrophobicContact CG-CD1 3.44Å; K315-I345 VanDerWaalsContact CG-CD1 3.44Å; K315-I345 HydrophobicContact CG-CG1 3.89Å; I321-I345 HydrophobicContact CD1-CD1 4.13Å; F340-I345 HydrophobicContact CE2-CD1 4.16Å
346	S	89.4	Confident	88.1	Confident	51 Å²	51	48.3 Å²	48.3	36%	0.357	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	140.7	172.9	60.8	0	0	0	0	111	C293 A294	C293-S346 WeakPolarHBondContact CA-O 3.39Å; A294-S346 PolarHBondContact N-O 3.34Å; A294-S346 PolarHBondContact O-N 2.95Å
347	Y	89.5	Confident	88.1	Confident	115 Å²	115	56.1 Å²	56.1	45%	0.451	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	109.8	176.1	-166.6	-120.9	0	0	0	108.6	Y291 V292 C293 C313	Y291-Y347 WeakPolarHBondContact CB-OH 3.39Å; Y291-Y347 AromaticContact CD1-CD1 3.98Å; Y291-Y347 HydrophobicContact CD1-CD1 3.98Å; Y291-Y347 AromaticContact CD1-CE1 3.8Å; Y291-Y347 HydrophobicContact CD1-CE1 3.8Å; Y291-Y347 AromaticContact CG-CE1 3.97Å; Y291-Y347 HydrophobicContact CG-CE1 3.97Å; V292-Y347 WeakPolarHBondContact O-CA 3.28Å; V292-Y347 WeakPolarHBondContact O-CD2 3.34Å; C293-Y347 HydrophobicContact CB-CD2 4.21Å; C313-Y347 HydrophobicContact CB-CD2 3.72Å; C313-Y347 HydrophobicContact CB-CE2 4.18Å; C313-Y347 HydrophobicContact CB-CG 4.24Å
348	F	90.6	Very high	88	Confident	46 Å²	46	57.2 Å²	57.2	20%	0.202	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	155.1	-169	62.7	-89	0	0	0	112	Y291 V292 A294 L299 A350 D457	Y291-F348 WeakPolarHBondContact CA-O 3.47Å; V292-F348 HydrophobicContact CG2-CD1 4.35Å; V292-F348 HydrophobicContact CG2-CD2 3.81Å; V292-F348 HydrophobicContact CG2-CE1 4.05Å; V292-F348 HydrophobicContact CG2-CE2 3.47Å; V292-F348 VanDerWaalsContact CG2-CE2 3.47Å; V292-F348 HydrophobicContact CG2-CG 4.25Å; V292-F348 HydrophobicContact CG2-CZ 3.6Å; V292-F348 WeakPolarHBondContact CG2-O 3.43Å; V292-F348 PolarHBondContact N-O 3.46Å; V292-F348 PolarHBondContact O-N 3.4Å; V292-F348 VanDerWaalsContact O-N 3.15Å; A294-F348 HydrophobicContact CB-CE1 3.92Å; L299-F348 HydrophobicContact CD2-CZ 4.16Å; F348-A350 PolarHBondContact O-N 2.98Å; F348-D457 HydrophobicContact CE2-CB 4.17Å; F348-D457 WeakPolarHBondContact CE2-OD2 3.12Å
349	P	90.7	Very high	88	Confident	31 Å²	31	57.2 Å²	57.2	20%	0.201	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	127.1	175.4	25.6	-33.7	0	0	0	110.4	P286 S289 Y291 M351	P286-P349 HydrophobicContact CB-CB 4.23Å; P286-P349 HydrophobicContact CB-CG 4.21Å; S289-P349 WeakPolarHBondContact OG-CB 3.13Å; Y291-P349 HydrophobicContact CE1-CB 4.5Å; P349-M351 PolarHBondContact O-N 2.88Å
350	A	89.4	Confident	88	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.34	C	S	.	.	S	Bend	trans	-60.5	-30.3	178.3	0	0	0	0	0	112.9	P290 V292 F348 D457 V460	P290-A350 HydrophobicContact CG-CB 4.17Å; P290-A350 WeakPolarHBondContact O-CB 3.27Å; P290-A350 PolarHBondContact O-N 3.41Å; V292-A350 HydrophobicContact CG1-CB 3.89Å; V292-A350 HydrophobicContact CG2-CB 4.35Å; F348-A350 PolarHBondContact O-N 2.98Å; A350-D457 PolarHBondContact O-N 3.08Å; A350-D457 VanDerWaalsContact O-N 3.08Å; A350-V460 HydrophobicContact CB-CG1 4.17Å; A350-V460 HydrophobicContact CB-CG2 4Å
351	M	90.5	Very high	87.9	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.005	36%	0.36	C	S	.	.			trans	-131.6	81.4	-172.8	-51.2	178.3	-179.7	0	0	109.4	V284 S289 P349 G353 I455 L474 A477 F478	V284-M351 HydrophobicContact CG1-CB 3.85Å; V284-M351 WeakPolarHBondContact CG1-O 3.33Å; S289-M351 VanDerWaalsContact CB-O 3.31Å; S289-M351 WeakPolarHBondContact CB-O 3.38Å; P349-M351 PolarHBondContact O-N 2.88Å; M351-G353 PolarHBondContact O-N 3.22Å; M351-I455 CarbonylContact C-O 3.55Å; M351-I455 WeakPolarHBondContact CA-O 3.49Å; M351-L474 HydrophobicContact CE-CD1 3.86Å; M351-A477 HydrophobicContact CE-CB 3.53Å; M351-A477 HydrophobicContact SD-CB 4.38Å; M351-F478 HydrophobicContact CE-CD1 4.14Å; M351-F478 HydrophobicContact SD-CB 3.68Å; M351-F478 HydrophobicContact SD-CD1 3.95Å; M351-F478 HydrophobicContact SD-CG 4.31Å
352	P	87.5	Confident	88	Confident	25 Å²	25	64.1 Å²	64.1	16%	0.162	34%	0.337	C	S	.	.			trans	-67.2	-13.2	-176.6	27.1	-36.1	0	0	0	113.7	K358 I455	P352-K358 HydrophobicContact CG-CG 3.85Å; P352-I455 VanDerWaalsContact CD-O 3.28Å; P352-I455 WeakPolarHBondContact CD-O 3.21Å
353	G	87.7	Confident	88	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.01	32%	0.316	C	S	.	.			trans	91.1	177.2	177.6	0	0	0	0	0	113.8	M351 T355 S356 I455	M351-G353 PolarHBondContact O-N 3.22Å; G353-T355 VanDerWaalsContact C-N 3.26Å; G353-T355 PolarHBondContact O-N 2.8Å; G353-S356 WeakPolarHBondContact O-CB 3.44Å; G353-S356 PolarHBondContact O-N 2.99Å; G353-S356 PolarHBondContact O-OG 2.77Å; G353-I455 PolarHBondContact N-O 3.46Å
354	L	85.6	Confident	87.9	Confident	81 Å²	81	67.8 Å²	67.8	42%	0.424	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-19.8	-168.3	-143.5	77.8	0	0	0	114.3	V281 S356 A454 I455	V281-L354 HydrophobicContact CG1-CD1 4.01Å; L354-S356 PolarHBondContact O-N 2.72Å; L354-A454 HydrophobicContact CD1-CB 3.83Å; L354-I455 HydrophobicContact CD1-CG2 3.53Å
355	T	83.8	Confident	87.6	Confident	137 Å²	137	66.6 Å²	66.6	84%	0.84	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-6.5	178	52.3	0	0	0	0	113	G353	G353-T355 VanDerWaalsContact C-N 3.26Å; G353-T355 PolarHBondContact O-N 2.8Å
356	S	82.8	Confident	87.4	Confident	28 Å²	28	67.1 Å²	67.1	20%	0.196	33%	0.334	C	S	.	.	S	Bend	trans	-78.6	152.9	-179.9	77.8	0	0	0	0	112.3	G353 L354 K358	G353-S356 WeakPolarHBondContact O-CB 3.44Å; G353-S356 PolarHBondContact O-N 2.99Å; G353-S356 PolarHBondContact O-OG 2.77Å; L354-S356 PolarHBondContact O-N 2.72Å; S356-K358 PolarHBondContact O-N 3.35Å
357	Q	85.7	Confident	87.4	Confident	163 Å²	163	66.3 Å²	66.3	76%	0.762	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	7.7	176	-66.4	-175.4	-7.4	0	0	113.5	F359 F360	Q357-F359 PolarHBondContact O-N 3.08Å; Q357-F360 PolarHBondContact O-N 3.07Å
358	K	85.7	Confident	87.4	Confident	52 Å²	52	63.6 Å²	63.6	23%	0.226	31%	0.314	C	S	.	.	H	α-helix	trans	-64.7	-23.8	-175.7	-70.1	-58.9	-169.6	163.9	0	114.4	P352 S356 F360 E361 N362 D457	P352-K358 HydrophobicContact CG-CG 3.85Å; S356-K358 PolarHBondContact O-N 3.35Å; K358-F360 VanDerWaalsContact C-N 3.28Å; K358-F360 PolarHBondContact O-N 2.99Å; K358-E361 WeakPolarHBondContact CD-OE2 3.44Å; K358-E361 WeakPolarHBondContact CE-OE2 3.32Å; K358-E361 IonicContact NZ-OE2 2.72Å; K358-E361 PolarHBondContact NZ-OE2 3.25Å; K358-E361 PolarHBondContact O-N 3.1Å; K358-N362 PolarHBondContact O-N 3.44Å; K358-N362 PolarHBondContact O-ND2 3.43Å; K358-D457 VanDerWaalsContact CE-OD1 3.3Å; K358-D457 WeakPolarHBondContact CE-OD1 3.47Å; K358-D457 IonicContact NZ-OD1 2.8Å; K358-D457 PolarHBondContact NZ-OD1 3.1Å
359	F	87.5	Confident	87.4	Confident	59 Å²	59	64.4 Å²	64.4	26%	0.259	32%	0.315	S	S	.	.	H	α-helix	trans	-54.3	-45	175.5	-179.9	-103	0	0	0	112.5	Q357 N362 F363 L450 A453 A454	Q357-F359 PolarHBondContact O-N 3.08Å; F359-N362 PolarHBondContact O-N 2.64Å; F359-F363 AromaticContact CE1-CD2 3.72Å; F359-F363 HydrophobicContact CE1-CD2 3.72Å; F359-F363 HydrophobicContact CE1-CE2 4.11Å; F359-F363 HydrophobicContact CE2-CD2 4.04Å; F359-F363 HydrophobicContact CE2-CE2 4.44Å; F359-F363 AromaticContact CZ-CD2 3.42Å; F359-F363 HydrophobicContact CZ-CD2 3.42Å; F359-F363 VanDerWaalsContact CZ-CD2 3.42Å; F359-F363 AromaticContact CZ-CE2 3.62Å; F359-F363 HydrophobicContact CZ-CE2 3.62Å; F359-F363 WeakPolarHBondContact O-CB 3.41Å; F359-F363 PolarHBondContact O-N 3.03Å; F359-F363 VanDerWaalsContact O-N 3.13Å; F359-L450 HydrophobicContact CE2-CD2 4.4Å; F359-A453 HydrophobicContact CD2-CB 4.44Å; F359-A454 HydrophobicContact CB-CB 4.19Å; F359-A454 HydrophobicContact CD2-CB 3.87Å; F359-A454 HydrophobicContact CG-CB 4.42Å
360	F	87.5	Confident	87.2	Confident	163 Å²	163	68.1 Å²	68.1	72%	0.715	33%	0.33	S	S	*	.	H	α-helix	trans	-71	-34.6	-176.8	-70.2	-74.1	0	0	0	112.5	Q357 K358 F363	Q357-F360 PolarHBondContact O-N 3.07Å; K358-F360 VanDerWaalsContact C-N 3.28Å; K358-F360 PolarHBondContact O-N 2.99Å; F360-F363 PolarHBondContact O-N 3.15Å
361	E	86.9	Confident	87	Confident	92 Å²	92	72.6 Å²	72.6	43%	0.43	35%	0.35	S	S	.	.	H	α-helix	trans	-64.4	-45.6	174.5	-64	177.3	-168.7	0	0	110.7	K358 F363	K358-E361 WeakPolarHBondContact CD-OE2 3.44Å; K358-E361 WeakPolarHBondContact CE-OE2 3.32Å; K358-E361 IonicContact NZ-OE2 2.72Å; K358-E361 PolarHBondContact NZ-OE2 3.25Å; K358-E361 PolarHBondContact O-N 3.1Å; E361-F363 VanDerWaalsContact C-N 3.28Å; E361-F363 PolarHBondContact O-N 2.81Å
362	N	90.7	Very high	86.7	Confident	12 Å²	12	74.8 Å²	74.8	6%	0.064	37%	0.372	C	S	.	.	H	α-helix	trans	-77.9	-7.5	-177.7	-67.2	-27.4	0	0	0	114.4	G138 A139 K358 F359 A453 C456 G458	G138-N362 WeakPolarHBondContact CA-O 3.36Å; A139-N362 PolarHBondContact N-O 3.46Å; K358-N362 PolarHBondContact O-N 3.44Å; K358-N362 PolarHBondContact O-ND2 3.43Å; F359-N362 PolarHBondContact O-N 2.64Å; N362-A453 HydrophobicContact CB-CB 3.97Å; N362-A453 PolarHBondContact ND2-O 3.26Å; N362-C456 PolarHBondContact ND2-O 3.34Å; N362-G458 WeakPolarHBondContact OD1-CA 3.37Å; N362-G458 PolarHBondContact OD1-N 3.4Å
363	F	89.8	Confident	86.7	Confident	47 Å²	47	78.9 Å²	78.9	21%	0.206	39%	0.388	C	S	.	.	H	α-helix	trans	-74.3	-48.6	-168	-164.7	-99.6	0	0	0	113	A139 F140 F359 F360 E361 L450	A139-F363 HydrophobicContact CB-CD2 4.02Å; A139-F363 PolarHBondContact N-O 2.79Å; F140-F363 HydrophobicContact CB-CD1 4.09Å; F140-F363 HydrophobicContact CB-CE1 3.79Å; F140-F363 HydrophobicContact CB-CZ 4.05Å; F140-F363 VanDerWaalsContact CB-O 3.31Å; F140-F363 WeakPolarHBondContact CB-O 3.49Å; F140-F363 AromaticContact CD2-CE1 3.95Å; F140-F363 HydrophobicContact CD2-CE1 3.95Å; F140-F363 AromaticContact CD2-CZ 3.99Å; F140-F363 HydrophobicContact CD2-CZ 3.99Å; F140-F363 HydrophobicContact CG-CE1 4.16Å; F140-F363 HydrophobicContact CG-CZ 4.46Å; F140-F363 PolarHBondContact N-O 3.1Å; F359-F363 AromaticContact CE1-CD2 3.72Å; F359-F363 HydrophobicContact CE1-CD2 3.72Å; F359-F363 HydrophobicContact CE1-CE2 4.11Å; F359-F363 HydrophobicContact CE2-CD2 4.04Å; F359-F363 HydrophobicContact CE2-CE2 4.44Å; F359-F363 AromaticContact CZ-CD2 3.42Å; F359-F363 HydrophobicContact CZ-CD2 3.42Å; F359-F363 VanDerWaalsContact CZ-CD2 3.42Å; F359-F363 AromaticContact CZ-CE2 3.62Å; F359-F363 HydrophobicContact CZ-CE2 3.62Å; F359-F363 WeakPolarHBondContact O-CB 3.41Å; F359-F363 PolarHBondContact O-N 3.03Å; F359-F363 VanDerWaalsContact O-N 3.13Å; F360-F363 PolarHBondContact O-N 3.15Å; E361-F363 VanDerWaalsContact C-N 3.28Å; E361-F363 PolarHBondContact O-N 2.81Å; F363-L450 HydrophobicContact CE2-CD2 4.26Å
364	F	86.4	Confident	86.6	Confident	147 Å²	147	79.5 Å²	79.5	65%	0.645	39%	0.393	S	S	*	.	H	α-helix	trans	-107.6	-25.2	-174.4	-74.3	-65.5	0	0	0	114.4	F140 S366	F140-F364 HydrophobicContact CD1-CE1 4.43Å; F140-F364 HydrophobicContact CG-CE1 4.36Å; F364-S366 PolarHBondContact O-N 3.11Å
365	E	82.2	Confident	86.5	Confident	109 Å²	109	76 Å²	76	51%	0.509	37%	0.374	S	S	.	.			trans	-66.5	128.5	-176.5	-68.3	-170.6	174.3	0	0	111.3	G138 H367	G138-E365 WeakPolarHBondContact CA-O 3.43Å; E365-H367 IonicContact OE2-NE2 3.96Å
366	S	86.6	Confident	86.3	Confident	50 Å²	50	71.2 Å²	71.2	35%	0.35	34%	0.343	S	S	.	.			trans	-126	137.3	177.8	63.4	0	0	0	0	109.9	V136 A137 F364	V136-S366 CarbonylContact O-C 3.58Å; V136-S366 WeakPolarHBondContact O-CA 3.39Å; A137-S366 WeakPolarHBondContact O-CB 3.48Å; F364-S366 PolarHBondContact O-N 3.11Å
367	H	88.4	Confident	86	Confident	33 Å²	33	76.6 Å²	76.6	15%	0.153	37%	0.37	C	S	.	.			trans	-125.1	58.7	-171.9	-67.5	-96.1	0	0	0	110.8	V136 E365 R369 Y375 R462	V136-H367 PolarHBondContact O-N 2.96Å; E365-H367 IonicContact OE2-NE2 3.96Å; H367-R369 PolarHBondContact O-N 3.43Å; H367-Y375 HydrophobicContact CB-CD1 3.97Å; H367-Y375 PolarHBondContact ND1-O 3.28Å; H367-Y375 VanDerWaalsContact ND1-O 3.13Å; H367-Y375 WeakPolarHBondContact O-CD1 3.2Å; H367-R462 PolarHBondContact CD2-NH2 2.97Å; H367-R462 VanDerWaalsContact NE2-CZ 3.28Å; H367-R462 PolarHBondContact NE2-NH1 3.19Å; H367-R462 PolarHBondContact NE2-NH2 3.36Å
368	Y	90.1	Very high	85.7	Confident	58 Å²	58	71.5 Å²	71.5	23%	0.227	35%	0.35	C	S	.	.			trans	-70.3	124.1	174.8	-64.4	-60.4	0	0	0	111.3	V136 A137 Q141 S397 S398 L402	V136-Y368 HydrophobicContact CG1-CD1 4.04Å; V136-Y368 HydrophobicContact CG1-CE1 4.25Å; A137-Y368 HydrophobicContact CB-CE1 4.38Å; A137-Y368 WeakPolarHBondContact CB-OH 3.3Å; Q141-Y368 VanDerWaalsContact OE1-CE2 3.27Å; Q141-Y368 VanDerWaalsContact OE1-CZ 3.31Å; Q141-Y368 PolarHBondContact OE1-OH 3.3Å; Y368-S397 WeakPolarHBondContact CB-O 3.37Å; Y368-S398 VanDerWaalsContact CE1-C 3.49Å; Y368-L402 HydrophobicContact CE1-CD1 3.71Å; Y368-L402 HydrophobicContact CE1-CG 4.45Å
369	R	89.7	Confident	85.1	Confident	63 Å²	63	77 Å²	77	24%	0.238	38%	0.382	C	S	.	.			trans	-139.1	152.7	-176.8	-66.4	-61.6	-168.9	-131.4	5.8	111.7	H367 K373 A374 Y375 D376 N377 A393 T396 S397	H367-R369 PolarHBondContact O-N 3.43Å; R369-K373 HydrophobicContact CB-CB 4.49Å; R369-A374 WeakPolarHBondContact CD-O 3.43Å; R369-A374 WeakPolarHBondContact CG-O 3.4Å; R369-A374 PolarHBondContact NE-O 3.22Å; R369-Y375 HydrophobicContact CB-CD1 4.44Å; R369-Y375 HydrophobicContact CB-CE1 4.49Å; R369-Y375 HydrophobicContact CG-CD1 3.96Å; R369-Y375 HydrophobicContact CG-CE1 4.47Å; R369-D376 PolarHBondContact NH2-O 2.83Å; R369-N377 PolarHBondContact NH2-OD1 2.72Å; R369-A393 HydrophobicContact CB-CB 3.9Å; R369-T396 CarbonylContact O-C 3.53Å; R369-T396 WeakPolarHBondContact O-CA 3.47Å; R369-S397 PolarHBondContact N-OG 3.01Å; R369-S397 PolarHBondContact O-N 2.95Å; R369-S397 PolarHBondContact O-OG 3.21Å; R369-S397 VanDerWaalsContact O-OG 3.11Å
370	E	87.3	Confident	84.9	Confident	110 Å²	110	75.2 Å²	75.2	51%	0.514	37%	0.374	S	S	.	.			trans	-76.3	153.5	169.8	-65	174.2	158.3	0	0	110.9	G372 K373 T396	E370-G372 PolarHBondContact O-N 3.32Å; E370-K373 HydrophobicContact CB-CD 4.24Å; E370-K373 PolarHBondContact O-N 3.34Å; E370-K373 VanDerWaalsContact O-N 3.13Å; E370-K373 WeakPolarHBondContact OE2-CE 3.26Å; E370-K373 IonicContact OE2-NZ 3.76Å; E370-K373 PolarHBondContact OE2-NZ 3.34Å; E370-T396 HydrophobicContact CG-CG2 4.45Å
371	K	85.4	Confident	84.5	Confident	93 Å²	93	71.7 Å²	71.7	40%	0.404	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	129.2	177.4	177.4	168.2	-179.7	141.7	0	111	D230 A393 D394 T396	D230-K371 IonicContact OD2-NZ 2.64Å; D230-K371 PolarHBondContact OD2-NZ 2.92Å; K371-A393 WeakPolarHBondContact CA-O 3.36Å; K371-D394 WeakPolarHBondContact CD-O 3.39Å; K371-D394 WeakPolarHBondContact CE-O 3.49Å; K371-D394 WeakPolarHBondContact CG-O 3.16Å; K371-D394 PolarHBondContact NZ-O 3.16Å; K371-D394 IonicContact NZ-OD1 2.71Å; K371-T396 PolarHBondContact N-OG1 3.31Å; K371-T396 VanDerWaalsContact N-OG1 3.08Å
372	G	83.9	Confident	84.2	Confident	47 Å²	47	68.2 Å²	68.2	49%	0.485	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.7	-9.3	177.9	0	0	0	0	0	115.4	E370 A393	E370-G372 PolarHBondContact O-N 3.32Å; G372-A393 PolarHBondContact N-O 3.46Å
373	K	86.3	Confident	83.9	Confident	111 Å²	111	70.6 Å²	70.6	48%	0.483	37%	0.367	S	S	.	.			trans	-86.6	151.6	174.3	-69.4	-177	176.2	164.6	0	111.5	R369 E370 A393	R369-K373 HydrophobicContact CB-CB 4.49Å; E370-K373 HydrophobicContact CB-CD 4.24Å; E370-K373 PolarHBondContact O-N 3.34Å; E370-K373 VanDerWaalsContact O-N 3.13Å; E370-K373 WeakPolarHBondContact OE2-CE 3.26Å; E370-K373 IonicContact OE2-NZ 3.76Å; E370-K373 PolarHBondContact OE2-NZ 3.34Å; K373-A393 WeakPolarHBondContact O-CB 3.17Å; K373-A393 PolarHBondContact O-N 2.9Å
374	A	85.6	Confident	83.5	Confident	14 Å²	14	72.3 Å²	72.3	12%	0.116	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-73	148.8	174.2	0	0	0	0	0	111.9	R369 D376 A382 N391	R369-A374 WeakPolarHBondContact CD-O 3.43Å; R369-A374 WeakPolarHBondContact CG-O 3.4Å; R369-A374 PolarHBondContact NE-O 3.22Å; A374-D376 VanDerWaalsContact CB-OD1 3.24Å; A374-D376 WeakPolarHBondContact CB-OD1 3.34Å; A374-D376 PolarHBondContact O-N 3.36Å; A374-A382 HydrophobicContact CB-CB 3.72Å; A374-N391 CarbonylContact C-O 3.48Å; A374-N391 VanDerWaalsContact CA-O 3.3Å; A374-N391 WeakPolarHBondContact CA-O 3.41Å
375	Y	84.6	Confident	83.2	Confident	8 Å²	8	71.4 Å²	71.4	3%	0.031	37%	0.368	C	S	.	.	S	Bend	trans	-70.6	-18.6	174.9	-72.4	-64.9	0	0	0	114	W132 V136 H367 R369 N391 A393 R462	W132-Y375 PolarHBondContact NE1-OH 3.37Å; V136-Y375 HydrophobicContact CG2-CE1 3.9Å; H367-Y375 HydrophobicContact CB-CD1 3.97Å; H367-Y375 PolarHBondContact ND1-O 3.28Å; H367-Y375 VanDerWaalsContact ND1-O 3.13Å; H367-Y375 WeakPolarHBondContact O-CD1 3.2Å; R369-Y375 HydrophobicContact CB-CD1 4.44Å; R369-Y375 HydrophobicContact CB-CE1 4.49Å; R369-Y375 HydrophobicContact CG-CD1 3.96Å; R369-Y375 HydrophobicContact CG-CE1 4.47Å; Y375-N391 WeakPolarHBondContact CD2-O 3.33Å; Y375-N391 PolarHBondContact N-O 3.11Å; Y375-A393 HydrophobicContact CE1-CB 4.08Å; Y375-A393 HydrophobicContact CE2-CB 4.38Å; Y375-R462 HydrophobicContact CD2-CB 3.89Å; Y375-R462 HydrophobicContact CE2-CB 3.93Å; Y375-R462 HydrophobicContact CG-CB 4.38Å
376	D	79.9	Confident	83.2	Confident	37 Å²	37	67.1 Å²	67.1	20%	0.198	35%	0.347	C	S	.	.	S	Bend	trans	-86	175.2	177	67	7.4	0	0	0	112.6	R298 R369 A374 V378	R298-D376 WeakPolarHBondContact CD-OD2 3.4Å; R298-D376 WeakPolarHBondContact CG-OD2 3.3Å; R298-D376 IonicContact CZ-OD1 3.76Å; R298-D376 IonicContact CZ-OD2 3.54Å; R298-D376 IonicContact NE-OD1 3.58Å; R298-D376 IonicContact NE-OD2 2.7Å; R298-D376 PolarHBondContact NE-OD2 3.32Å; R298-D376 IonicContact NH2-OD1 3.08Å; R298-D376 PolarHBondContact NH2-OD1 3.14Å; R298-D376 VanDerWaalsContact NH2-OD1 3.08Å; R298-D376 IonicContact NH2-OD2 3.47Å; R298-D376 PolarHBondContact NH2-OD2 2.94Å; R369-D376 PolarHBondContact NH2-O 2.83Å; A374-D376 VanDerWaalsContact CB-OD1 3.24Å; A374-D376 WeakPolarHBondContact CB-OD1 3.34Å; A374-D376 PolarHBondContact O-N 3.36Å; D376-V378 HydrophobicContact CB-CG2 4.19Å; D376-V378 WeakPolarHBondContact OD2-CG2 3.39Å
377	N	75.9	Confident	83	Confident	141 Å²	141	65 Å²	65	75%	0.754	33%	0.333	S	S	*	.			trans	-106.5	26.9	177.1	-71.9	-39.9	0	0	0	111.2	R369	R369-N377 PolarHBondContact NH2-OD1 2.72Å
378	V	79.3	Confident	82.8	Confident	56 Å²	56	63.4 Å²	63.4	34%	0.339	33%	0.326	S	S	.	.			trans	-92.7	132.6	-175	-168.1	0	0	0	0	110.3	R298 F339 D376 F380	R298-V378 PolarHBondContact NH2-O 3.09Å; F339-V378 HydrophobicContact CD2-CG1 4.38Å; F339-V378 HydrophobicContact CE2-CG1 3.61Å; D376-V378 HydrophobicContact CB-CG2 4.19Å; D376-V378 WeakPolarHBondContact OD2-CG2 3.39Å; V378-F380 PolarHBondContact O-N 3.2Å; V378-F380 VanDerWaalsContact O-N 3.16Å
379	D	74.2	Confident	82.4	Confident	168 Å²	168	61 Å²	61	90%	0.898	32%	0.319	S	S	*	.	S	Bend	trans	-61.9	-24.9	-169.6	-66.5	-33.8	0	0	0	114.5
380	F	81.7	Confident	82.2	Confident	20 Å²	20	58.2 Å²	58.2	9%	0.088	31%	0.309	C	S	.	.	S	Bend	trans	-69.1	127.4	178.5	-178	-115.7	0	0	0	110.7	R298 Y325 F339 V378 A382 Y386	R298-F380 VanDerWaalsContact NH1-CD1 3.31Å; R298-F380 PolarHBondContact NH1-O 2.9Å; R298-F380 PolarHBondContact NH2-O 2.84Å; Y325-F380 HydrophobicContact CE1-CE1 4.3Å; F339-F380 HydrophobicContact CB-CD1 4.3Å; F339-F380 HydrophobicContact CB-CD2 4.36Å; F339-F380 HydrophobicContact CB-CG 4.15Å; F339-F380 AromaticContact CD1-CD1 3.93Å; F339-F380 HydrophobicContact CD1-CD1 3.93Å; F339-F380 HydrophobicContact CD1-CE1 4.32Å; F339-F380 HydrophobicContact CD2-CB 3.36Å; F339-F380 AromaticContact CD2-CD1 3.83Å; F339-F380 HydrophobicContact CD2-CD1 3.83Å; F339-F380 AromaticContact CD2-CG 3.72Å; F339-F380 HydrophobicContact CD2-CG 3.72Å; F339-F380 HydrophobicContact CE1-CD1 4.19Å; F339-F380 HydrophobicContact CE2-CB 3.68Å; F339-F380 HydrophobicContact CE2-CD1 4.04Å; F339-F380 HydrophobicContact CE2-CG 4.21Å; F339-F380 HydrophobicContact CG-CB 4.06Å; F339-F380 AromaticContact CG-CD1 3.75Å; F339-F380 HydrophobicContact CG-CD1 3.75Å; F339-F380 HydrophobicContact CG-CE1 4.41Å; F339-F380 AromaticContact CG-CG 3.89Å; F339-F380 HydrophobicContact CG-CG 3.89Å; F339-F380 HydrophobicContact CZ-CD1 4.25Å; V378-F380 PolarHBondContact O-N 3.2Å; V378-F380 VanDerWaalsContact O-N 3.16Å; F380-A382 PolarHBondContact O-N 3.15Å; F380-Y386 HydrophobicContact CE1-CD2 4.03Å; F380-Y386 HydrophobicContact CE1-CE2 4.13Å; F380-Y386 AromaticContact CZ-CD2 3.96Å; F380-Y386 HydrophobicContact CZ-CD2 3.96Å; F380-Y386 AromaticContact CZ-CE2 3.58Å; F380-Y386 HydrophobicContact CZ-CE2 3.58Å; F380-Y386 AromaticContact CZ-CZ 3.89Å
381	P	80.7	Confident	82	Confident	90 Å²	90	53.5 Å²	53.5	58%	0.584	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-65.6	131.1	179.1	25.9	-33.7	0	0	0	111.4
382	A	80.8	Confident	82.1	Confident	18 Å²	18	50.4 Å²	50.4	15%	0.149	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-77.6	129.7	174.9	0	0	0	0	0	110.8	A374 F380 Q388 I392	A374-A382 HydrophobicContact CB-CB 3.72Å; F380-A382 PolarHBondContact O-N 3.15Å; A382-Q388 VanDerWaalsContact CA-OE1 3.28Å; A382-Q388 HydrophobicContact CB-CB 4.3Å; A382-I392 HydrophobicContact CB-CD1 4.41Å; A382-I392 HydrophobicContact CB-CG1 3.93Å
383	D	82.5	Confident	82.2	Confident	63 Å²	63	48.2 Å²	48.2	34%	0.337	25%	0.252	S	S	.	.			trans	-132.1	143.7	177.9	-164.5	-13.9	0	0	0	110	K385 Y386 Q388	D383-K385 PolarHBondContact O-N 2.97Å; D383-K385 PolarHBondContact OD1-N 2.91Å; D383-Y386 HydrophobicContact CB-CD2 3.76Å; D383-Y386 HydrophobicContact CB-CE2 4.07Å; D383-Y386 PolarHBondContact O-N 3.41Å; D383-Q388 PolarHBondContact O-N 3.04Å
384	R	81.4	Confident	82.1	Confident	83 Å²	83	43.9 Å²	43.9	31%	0.313	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-60.1	-28.4	175.2	-73.8	-171.1	173.4	156.6	8.6	111.3	T228 D230 Y386 G387 I392	T228-R384 PolarHBondContact O-NH1 3.41Å; D230-R384 IonicContact OD1-CZ 2.83Å; D230-R384 IonicContact OD1-NH1 3.13Å; D230-R384 PolarHBondContact OD1-NH1 3.43Å; D230-R384 IonicContact OD1-NH2 2.72Å; D230-R384 PolarHBondContact OD1-NH2 3.39Å; R384-Y386 PolarHBondContact O-N 2.83Å; R384-G387 PolarHBondContact O-N 3.48Å; R384-I392 HydrophobicContact CG-CD1 4.02Å
385	K	80.7	Confident	82	Confident	127 Å²	127	43.9 Å²	43.9	55%	0.552	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-59.2	-30.7	176.8	-63.1	-178.1	-176.1	177.9	0	114	I331 D383 G387	I331-K385 HydrophobicContact CG2-CB 3.88Å; I331-K385 HydrophobicContact CG2-CD 4.49Å; D383-K385 PolarHBondContact O-N 2.97Å; D383-K385 PolarHBondContact OD1-N 2.91Å; K385-G387 VanDerWaalsContact C-N 3.27Å; K385-G387 PolarHBondContact O-N 3.49Å
386	Y	82.6	Confident	82.1	Confident	19 Å²	19	46.8 Å²	46.8	8%	0.075	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-90.9	13.9	178.1	-60	-64.6	0	0	0	113.1	Y325 I331 F380 D383 R384 Q388	Y325-Y386 HydrophobicContact CD1-CD1 4.31Å; Y325-Y386 HydrophobicContact CD2-CD1 4.38Å; Y325-Y386 HydrophobicContact CE1-CD1 4.34Å; Y325-Y386 HydrophobicContact CE1-CG 4.35Å; Y325-Y386 HydrophobicContact CE2-CD1 4.43Å; Y325-Y386 WeakPolarHBondContact CE2-O 3.43Å; Y325-Y386 HydrophobicContact CG-CD1 4.36Å; Y325-Y386 PolarHBondContact OH-O 3.28Å; I331-Y386 HydrophobicContact CG2-CD1 4.03Å; I331-Y386 HydrophobicContact CG2-CE1 3.69Å; I331-Y386 PolarHBondContact O-OH 2.67Å; F380-Y386 HydrophobicContact CE1-CD2 4.03Å; F380-Y386 HydrophobicContact CE1-CE2 4.13Å; F380-Y386 AromaticContact CZ-CD2 3.96Å; F380-Y386 HydrophobicContact CZ-CD2 3.96Å; F380-Y386 AromaticContact CZ-CE2 3.58Å; F380-Y386 HydrophobicContact CZ-CE2 3.58Å; F380-Y386 AromaticContact CZ-CZ 3.89Å; D383-Y386 HydrophobicContact CB-CD2 3.76Å; D383-Y386 HydrophobicContact CB-CE2 4.07Å; D383-Y386 PolarHBondContact O-N 3.41Å; R384-Y386 PolarHBondContact O-N 2.83Å; Y386-Q388 PolarHBondContact O-N 3.2Å
387	G	82.7	Confident	82.5	Confident	5 Å²	5	45.4 Å²	45.4	5%	0.052	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	10	-173.2	0	0	0	0	0	113.9	L300 S301 R384 K385 G389	L300-G387 CarbonylContact C-O 3.5Å; L300-G387 WeakPolarHBondContact CA-O 3.39Å; S301-G387 PolarHBondContact N-O 2.78Å; R384-G387 PolarHBondContact O-N 3.48Å; K385-G387 VanDerWaalsContact C-N 3.27Å; K385-G387 PolarHBondContact O-N 3.49Å; G387-G389 VanDerWaalsContact C-N 3.26Å; G387-G389 PolarHBondContact O-N 3.13Å
388	Q	84.3	Confident	83.2	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.225	C	C	.	.			trans	-87.7	15.7	-176	-59.9	-175.8	-4.8	0	0	113.7	R298 L300 Y325 A382 D383 Y386 P390 N391	R298-Q388 VanDerWaalsContact CD-CD 3.44Å; R298-Q388 VanDerWaalsContact CD-OE1 3.27Å; L300-Q388 HydrophobicContact CD2-CG 4.08Å; Y325-Q388 VanDerWaalsContact OH-CG 3.26Å; Y325-Q388 WeakPolarHBondContact OH-CG 3.31Å; Y325-Q388 PolarHBondContact OH-NE2 3.14Å; A382-Q388 VanDerWaalsContact CA-OE1 3.28Å; A382-Q388 HydrophobicContact CB-CB 4.3Å; D383-Q388 PolarHBondContact O-N 3.04Å; Y386-Q388 PolarHBondContact O-N 3.2Å; Q388-P390 VanDerWaalsContact C-N 3.32Å; Q388-N391 PolarHBondContact O-N 3.47Å; Q388-N391 VanDerWaalsContact O-N 3.13Å
389	G	81.4	Confident	83.6	Confident	8 Å²	8	40.7 Å²	40.7	8%	0.082	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-46.7	-43	176.8	0	0	0	0	0	115.5	G387 N391 I392	G387-G389 VanDerWaalsContact C-N 3.26Å; G387-G389 PolarHBondContact O-N 3.13Å; G389-N391 PolarHBondContact O-N 2.83Å; G389-N391 VanDerWaalsContact O-N 3.12Å; G389-I392 PolarHBondContact O-N 3.38Å
390	P	84.4	Confident	84.2	Confident	4 Å²	4	36.5 Å²	36.5	3%	0.026	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-58.9	-25.3	-179.7	-26.3	33	0	0	0	115.3	L299 Q388 D463 E467	L299-P390 HydrophobicContact CB-CB 3.97Å; L299-P390 HydrophobicContact CB-CG 4.48Å; Q388-P390 VanDerWaalsContact C-N 3.32Å; P390-D463 HydrophobicContact CB-CB 4.2Å; P390-E467 HydrophobicContact CG-CB 3.95Å
391	N	84.8	Confident	84.4	Confident	11 Å²	11	38.2 Å²	38.2	6%	0.059	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-93.4	-3.3	-175.6	-52.2	-62.2	0	0	0	113.6	R298 L299 A374 Y375 Q388 G389	R298-N391 WeakPolarHBondContact CA-ND2 3.37Å; R298-N391 WeakPolarHBondContact CB-ND2 3.35Å; L299-N391 PolarHBondContact N-ND2 3.41Å; L299-N391 PolarHBondContact N-OD1 3.35Å; L299-N391 VanDerWaalsContact N-OD1 3.07Å; L299-N391 PolarHBondContact O-ND2 3.45Å; A374-N391 CarbonylContact C-O 3.48Å; A374-N391 VanDerWaalsContact CA-O 3.3Å; A374-N391 WeakPolarHBondContact CA-O 3.41Å; Y375-N391 WeakPolarHBondContact CD2-O 3.33Å; Y375-N391 PolarHBondContact N-O 3.11Å; Q388-N391 PolarHBondContact O-N 3.47Å; Q388-N391 VanDerWaalsContact O-N 3.13Å; G389-N391 PolarHBondContact O-N 2.83Å; G389-N391 VanDerWaalsContact O-N 3.12Å
392	I	86.7	Confident	84.9	Confident	29 Å²	29	33.9 Å²	33.9	15%	0.149	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-90.5	127.6	-174.7	-59.5	172.4	0	0	0	109.4	A382 R384 G389 D394	A382-I392 HydrophobicContact CB-CD1 4.41Å; A382-I392 HydrophobicContact CB-CG1 3.93Å; R384-I392 HydrophobicContact CG-CD1 4.02Å; G389-I392 PolarHBondContact O-N 3.38Å; I392-D394 PolarHBondContact O-N 3.09Å
393	A	86.8	Confident	85.4	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.008	17%	0.17	C	C	.	.			trans	-67.7	113.7	176.1	0	0	0	0	0	111.2	R369 K371 G372 K373 Y375	R369-A393 HydrophobicContact CB-CB 3.9Å; K371-A393 WeakPolarHBondContact CA-O 3.36Å; G372-A393 PolarHBondContact N-O 3.46Å; K373-A393 WeakPolarHBondContact O-CB 3.17Å; K373-A393 PolarHBondContact O-N 2.9Å; Y375-A393 HydrophobicContact CE1-CB 4.08Å; Y375-A393 HydrophobicContact CE2-CB 4.38Å
394	D	82.3	Confident	85.6	Confident	19 Å²	19	30.1 Å²	30.1	10%	0.102	16%	0.155	C	C	.	.	S	Bend	trans	-70.2	-33.1	-180	-178.2	31	0	0	0	112.9	K371 I392 K464	K371-D394 WeakPolarHBondContact CD-O 3.39Å; K371-D394 WeakPolarHBondContact CE-O 3.49Å; K371-D394 WeakPolarHBondContact CG-O 3.16Å; K371-D394 PolarHBondContact NZ-O 3.16Å; K371-D394 IonicContact NZ-OD1 2.71Å; I392-D394 PolarHBondContact O-N 3.09Å; D394-K464 HydrophobicContact CB-CD 4.35Å; D394-K464 IonicContact OD2-NZ 3.17Å; D394-K464 PolarHBondContact OD2-NZ 3.32Å
395	V	84.5	Confident	86	Confident	14 Å²	14	26.2 Å²	26.2	9%	0.085	14%	0.14	C	C	.	.	S	Bend	trans	-133.9	142.4	179.5	-175.3	0	0	0	0	108.9	S397 L401 D554	V395-S397 PolarHBondContact O-N 2.81Å; V395-L401 HydrophobicContact CG1-CD2 3.99Å; V395-D554 HydrophobicContact CG2-CB 4.27Å
396	T	86.7	Confident	86.6	Confident	70 Å²	70	20.3 Å²	20.3	43%	0.429	11%	0.114	S	C	.	.			trans	-55.5	125.8	171.1	-63.9	0	0	0	0	109.4	R369 E370 K371 L401	R369-T396 CarbonylContact O-C 3.53Å; R369-T396 WeakPolarHBondContact O-CA 3.47Å; E370-T396 HydrophobicContact CG-CG2 4.45Å; K371-T396 PolarHBondContact N-OG1 3.31Å; K371-T396 VanDerWaalsContact N-OG1 3.08Å; T396-L401 WeakPolarHBondContact O-CD2 3.42Å
397	S	87.5	Confident	87	Confident	7 Å²	7	19.4 Å²	19.4	5%	0.049	11%	0.11	C	C	.	.			trans	-114.3	133.6	-174.1	50.3	0	0	0	0	110.8	Y368 R369 V395	Y368-S397 WeakPolarHBondContact CB-O 3.37Å; R369-S397 PolarHBondContact N-OG 3.01Å; R369-S397 PolarHBondContact O-N 2.95Å; R369-S397 PolarHBondContact O-OG 3.21Å; R369-S397 VanDerWaalsContact O-OG 3.11Å; V395-S397 PolarHBondContact O-N 2.81Å
398	S	90.3	Very high	87.5	Confident	51 Å²	51	19.3 Å²	19.3	36%	0.357	11%	0.109	S	C	.	.			trans	-147.1	157.9	170	70.5	0	0	0	0	108.2	Y368 M400 L401 L402	Y368-S398 VanDerWaalsContact CE1-C 3.49Å; S398-M400 PolarHBondContact O-N 3.49Å; S398-M400 VanDerWaalsContact O-N 3.13Å; S398-L401 PolarHBondContact O-N 3.07Å; S398-L401 VanDerWaalsContact O-N 3.1Å; S398-L401 PolarHBondContact OG-N 3.41Å; S398-L402 WeakPolarHBondContact O-CG 3.35Å; S398-L402 PolarHBondContact O-N 3.3Å
399	F	89.1	Confident	87.8	Confident	47 Å²	47	19.4 Å²	19.4	21%	0.206	11%	0.11	C	C	.	.	H	α-helix	trans	-50.2	-41.6	176.9	-179.9	-92.3	0	0	0	111.8	Q141 L144 I145 L403	Q141-F399 HydrophobicContact CB-CD2 4.26Å; Q141-F399 HydrophobicContact CB-CE2 4.24Å; L144-F399 HydrophobicContact CD2-CE2 4.35Å; L144-F399 HydrophobicContact CD2-CZ 4.07Å; L144-F399 HydrophobicContact CG-CZ 4.38Å; I145-F399 HydrophobicContact CD1-CD2 3.99Å; I145-F399 HydrophobicContact CD1-CE2 3.93Å; I145-F399 HydrophobicContact CG1-CD2 4.04Å; I145-F399 HydrophobicContact CG1-CE1 4.49Å; I145-F399 HydrophobicContact CG1-CE2 3.47Å; I145-F399 VanDerWaalsContact CG1-CE2 3.47Å; I145-F399 HydrophobicContact CG1-CZ 3.73Å; F399-L403 WeakPolarHBondContact O-CB 3.32Å; F399-L403 PolarHBondContact O-N 3.48Å
400	M	87.1	Confident	88.4	Confident	81 Å²	81	19.2 Å²	19.2	40%	0.399	11%	0.107	S	C	.	.	H	α-helix	trans	-69.5	-41.1	-179	-57.4	-46.3	-173.1	0	0	112.9	S398 L403 G404 I611	S398-M400 PolarHBondContact O-N 3.49Å; S398-M400 VanDerWaalsContact O-N 3.13Å; M400-L403 PolarHBondContact O-N 3.42Å; M400-G404 PolarHBondContact O-N 2.88Å; M400-G404 VanDerWaalsContact O-N 3.15Å; M400-I611 HydrophobicContact CB-CG2 3.78Å; M400-I611 HydrophobicContact CE-CD1 4.47Å; M400-I611 HydrophobicContact CE-CG1 4.27Å; M400-I611 HydrophobicContact CE-CG2 4.43Å; M400-I611 HydrophobicContact CG-CG2 3.84Å; M400-I611 HydrophobicContact SD-CB 4.19Å; M400-I611 HydrophobicContact SD-CD1 4.32Å; M400-I611 HydrophobicContact SD-CG1 4.09Å; M400-I611 HydrophobicContact SD-CG2 3.21Å; M400-I611 WeakPolarHBondContact SD-CG2 3.29Å
401	L	86	Confident	88.7	Confident	55 Å²	55	19.1 Å²	19.1	29%	0.288	11%	0.106	S	C	.	.	H	α-helix	trans	-69.1	-41.6	177.5	-163.1	85.9	0	0	0	110.9	V395 T396 S398 L403 G404 I405	V395-L401 HydrophobicContact CG1-CD2 3.99Å; T396-L401 WeakPolarHBondContact O-CD2 3.42Å; S398-L401 PolarHBondContact O-N 3.07Å; S398-L401 VanDerWaalsContact O-N 3.1Å; S398-L401 PolarHBondContact OG-N 3.41Å; L401-L403 VanDerWaalsContact C-N 3.31Å; L401-L403 PolarHBondContact O-N 3.15Å; L401-G404 WeakPolarHBondContact O-CA 3.31Å; L401-G404 PolarHBondContact O-N 3.34Å; L401-G404 VanDerWaalsContact O-N 3.11Å; L401-I405 HydrophobicContact CD2-CD1 3.9Å; L401-I405 HydrophobicContact CG-CD1 4.02Å; L401-I405 VanDerWaalsContact O-CG1 3.3Å; L401-I405 WeakPolarHBondContact O-CG1 3.44Å; L401-I405 PolarHBondContact O-N 3.17Å
402	L	90.7	Very high	88.8	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64.3	-36.4	177.8	-65.7	-173.4	0	0	0	111.8	W132 I133 V136 A137 I145 Y368 S398 G404 I405 Y406	W132-L402 HydrophobicContact CH2-CD2 3.86Å; W132-L402 HydrophobicContact CZ3-CD2 3.86Å; I133-L402 HydrophobicContact CG1-CD2 4.36Å; I133-L402 HydrophobicContact CG2-CB 4.42Å; I133-L402 HydrophobicContact CG2-CD1 4.26Å; V136-L402 HydrophobicContact CB-CD1 4.36Å; V136-L402 HydrophobicContact CG1-CD1 4.09Å; A137-L402 HydrophobicContact CB-CD1 3.88Å; I145-L402 HydrophobicContact CD1-CB 4.07Å; Y368-L402 HydrophobicContact CE1-CD1 3.71Å; Y368-L402 HydrophobicContact CE1-CG 4.45Å; S398-L402 WeakPolarHBondContact O-CG 3.35Å; S398-L402 PolarHBondContact O-N 3.3Å; L402-G404 VanDerWaalsContact C-N 3.34Å; L402-I405 HydrophobicContact CD2-CD1 4.31Å; L402-I405 CarbonylContact O-C 3.48Å; L402-I405 PolarHBondContact O-N 2.96Å; L402-Y406 WeakPolarHBondContact O-CB 3.33Å; L402-Y406 PolarHBondContact O-N 3.11Å
403	L	90.2	Very high	89.1	Confident	1 Å²	1	18 Å²	18	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-59.6	-46.3	170.9	-174.5	150.8	0	0	0	111.4	I145 L148 F399 M400 L401 I405 Y406 F407 L608	I145-L403 HydrophobicContact CG1-CB 4.46Å; I145-L403 HydrophobicContact CG2-CB 4.17Å; I145-L403 HydrophobicContact CG2-CG 4.3Å; L148-L403 HydrophobicContact CD1-CD1 4.32Å; F399-L403 WeakPolarHBondContact O-CB 3.32Å; F399-L403 PolarHBondContact O-N 3.48Å; M400-L403 PolarHBondContact O-N 3.42Å; L401-L403 VanDerWaalsContact C-N 3.31Å; L401-L403 PolarHBondContact O-N 3.15Å; L403-I405 VanDerWaalsContact C-N 3.31Å; L403-I405 PolarHBondContact O-N 2.69Å; L403-Y406 PolarHBondContact O-N 3.32Å; L403-F407 PolarHBondContact O-N 3.47Å; L403-L608 HydrophobicContact CD1-CD2 3.69Å; L403-L608 HydrophobicContact CD2-CB 4.5Å; L403-L608 HydrophobicContact CD2-CD2 3.76Å; L403-L608 HydrophobicContact CD2-CG 4.47Å; L403-L608 HydrophobicContact CG-CD2 4.37Å
404	G	87.5	Confident	89.2	Confident	1 Å²	1	18.1 Å²	18.1	1%	0.01	10%	0.104	C	C	.	.	H	α-helix	trans	-59.4	-41.3	175.4	0	0	0	0	0	112.7	M400 L401 L402 Y406 T557 T561	M400-G404 PolarHBondContact O-N 2.88Å; M400-G404 VanDerWaalsContact O-N 3.15Å; L401-G404 WeakPolarHBondContact O-CA 3.31Å; L401-G404 PolarHBondContact O-N 3.34Å; L401-G404 VanDerWaalsContact O-N 3.11Å; L402-G404 VanDerWaalsContact C-N 3.34Å; G404-Y406 VanDerWaalsContact C-N 3.34Å; G404-T557 WeakPolarHBondContact O-CG2 3.49Å; G404-T561 PolarHBondContact O-OG1 3.38Å
405	I	90.2	Very high	89.2	Confident	1 Å²	1	17.6 Å²	17.6	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-66.4	-32.5	175.9	-66.4	167.2	0	0	0	112.3	W132 I133 L401 L402 L403 T557	W132-I405 HydrophobicContact CH2-CD1 4.43Å; W132-I405 HydrophobicContact CZ3-CD1 4.34Å; I133-I405 HydrophobicContact CD1-CG2 4.37Å; L401-I405 HydrophobicContact CD2-CD1 3.9Å; L401-I405 HydrophobicContact CG-CD1 4.02Å; L401-I405 VanDerWaalsContact O-CG1 3.3Å; L401-I405 WeakPolarHBondContact O-CG1 3.44Å; L401-I405 PolarHBondContact O-N 3.17Å; L402-I405 HydrophobicContact CD2-CD1 4.31Å; L402-I405 CarbonylContact O-C 3.48Å; L402-I405 PolarHBondContact O-N 2.96Å; L403-I405 VanDerWaalsContact C-N 3.31Å; L403-I405 PolarHBondContact O-N 2.69Å; I405-T557 HydrophobicContact CB-CG2 4.43Å; I405-T557 VanDerWaalsContact O-CG2 3.31Å; I405-T557 WeakPolarHBondContact O-CG2 3.2Å
406	Y	92.4	Very high	88.9	Confident	2 Å²	2	17 Å²	17	1%	0.008	10%	0.098	C	C	.	.	H	α-helix	trans	-81.8	-35	-178.5	-171.4	-98	0	0	0	112.9	V130 I133 I145 V146 C149 L402 L403 G404 P408 S409 V410 Y445	V130-Y406 HydrophobicContact CG2-CE2 4.08Å; I133-Y406 HydrophobicContact CD1-CD2 3.95Å; I145-Y406 HydrophobicContact CG2-CD1 4.06Å; I145-Y406 HydrophobicContact CG2-CG 4.03Å; V146-Y406 HydrophobicContact CB-CE1 4.04Å; V146-Y406 HydrophobicContact CG1-CE1 4.09Å; V146-Y406 HydrophobicContact CG2-CD1 4.38Å; V146-Y406 HydrophobicContact CG2-CE1 3.65Å; V146-Y406 HydrophobicContact CG2-CE2 3.92Å; V146-Y406 WeakPolarHBondContact CG2-OH 3.44Å; C149-Y406 HydrophobicContact CB-CD1 4.21Å; C149-Y406 HydrophobicContact CB-CE1 4.38Å; L402-Y406 WeakPolarHBondContact O-CB 3.33Å; L402-Y406 PolarHBondContact O-N 3.11Å; L403-Y406 PolarHBondContact O-N 3.32Å; G404-Y406 VanDerWaalsContact C-N 3.34Å; Y406-P408 VanDerWaalsContact C-CD 3.45Å; Y406-P408 VanDerWaalsContact O-N 3.16Å; Y406-S409 VanDerWaalsContact CE1-OG 3.25Å; Y406-S409 WeakPolarHBondContact CE1-OG 3.49Å; Y406-S409 VanDerWaalsContact CZ-OG 3.3Å; Y406-S409 VanDerWaalsContact O-CB 3.25Å; Y406-S409 WeakPolarHBondContact O-CB 3.29Å; Y406-S409 PolarHBondContact O-N 2.96Å; Y406-S409 PolarHBondContact O-OG 3.17Å; Y406-V410 HydrophobicContact CE1-CG1 4.23Å; Y406-Y445 VanDerWaalsContact OH-CB 3.27Å; Y406-Y445 WeakPolarHBondContact OH-CB 3.48Å
407	F	92.3	Very high	88.8	Confident	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-54.4	-37	-166.3	-173.1	-92.6	0	0	0	116.4	C149 C152 L403 S409 V410 T411 T561 F564 L565 Y568 L608	C149-F407 HydrophobicContact CB-CD2 4.24Å; C152-F407 HydrophobicContact CB-CE2 4.39Å; L403-F407 PolarHBondContact O-N 3.47Å; F407-S409 PolarHBondContact O-N 3.39Å; F407-V410 HydrophobicContact CD2-CG2 4.14Å; F407-V410 HydrophobicContact CE2-CG2 4.2Å; F407-V410 WeakPolarHBondContact O-CG2 3.34Å; F407-V410 PolarHBondContact O-N 2.88Å; F407-V410 VanDerWaalsContact O-N 3.09Å; F407-T411 HydrophobicContact CD1-CG2 3.98Å; F407-T411 HydrophobicContact CE1-CG2 3.78Å; F407-T561 HydrophobicContact CB-CG2 3.68Å; F407-T561 HydrophobicContact CD1-CG2 3.65Å; F407-T561 HydrophobicContact CE1-CG2 4.49Å; F407-T561 HydrophobicContact CG-CG2 3.76Å; F407-F564 HydrophobicContact CE1-CB 4.04Å; F407-L565 HydrophobicContact CD1-CG 4.32Å; F407-L565 HydrophobicContact CD2-CD2 4.29Å; F407-L565 HydrophobicContact CE1-CD2 3.93Å; F407-L565 HydrophobicContact CE1-CG 3.76Å; F407-L565 HydrophobicContact CE2-CD2 3.5Å; F407-L565 VanDerWaalsContact CE2-CD2 3.5Å; F407-L565 HydrophobicContact CE2-CG 4.16Å; F407-L565 HydrophobicContact CZ-CD2 3.28Å; F407-L565 HydrophobicContact CZ-CG 3.68Å; F407-Y568 HydrophobicContact CE1-CE2 4.32Å; F407-Y568 HydrophobicContact CZ-CD2 4.06Å; F407-Y568 HydrophobicContact CZ-CE2 4.01Å; F407-L608 HydrophobicContact CD2-CD1 4.41Å; F407-L608 HydrophobicContact CE2-CD1 4.27Å
408	P	91.6	Very high	88.5	Confident	3 Å²	3	14 Å²	14	2%	0.019	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-61.4	-19.1	177.8	-21.8	32.8	0	0	0	114.1	L125 M204 Y406 V410 T411 T557 I560 T561	L125-P408 HydrophobicContact CD1-CB 3.85Å; L125-P408 HydrophobicContact CD1-CG 4.16Å; M204-P408 HydrophobicContact CE-CB 4.14Å; M204-P408 HydrophobicContact SD-CB 4.11Å; M204-P408 HydrophobicContact SD-CG 4.38Å; Y406-P408 VanDerWaalsContact C-CD 3.45Å; Y406-P408 VanDerWaalsContact O-N 3.16Å; P408-V410 PolarHBondContact O-N 3.26Å; P408-T411 PolarHBondContact O-N 2.94Å; P408-T411 PolarHBondContact O-OG1 3.23Å; P408-T557 VanDerWaalsContact CD-CG2 3.43Å; P408-T557 HydrophobicContact CG-CG2 3.35Å; P408-I560 HydrophobicContact CB-CG2 4.11Å; P408-I560 HydrophobicContact CG-CB 4.33Å; P408-I560 HydrophobicContact CG-CG2 4.08Å; P408-T561 WeakPolarHBondContact CD-OG1 3.47Å
409	S	91.5	Very high	87.7	Confident	2 Å²	2	11.7 Å²	11.7	1%	0.014	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-64.2	-25.9	175.9	67.3	0	0	0	0	113.5	I121 Y406 F407 Y445	I121-S409 WeakPolarHBondContact CG2-O 3.42Å; I121-S409 VanDerWaalsContact O-O 3.05Å; Y406-S409 VanDerWaalsContact CE1-OG 3.25Å; Y406-S409 WeakPolarHBondContact CE1-OG 3.49Å; Y406-S409 VanDerWaalsContact CZ-OG 3.3Å; Y406-S409 VanDerWaalsContact O-CB 3.25Å; Y406-S409 WeakPolarHBondContact O-CB 3.29Å; Y406-S409 PolarHBondContact O-N 2.96Å; Y406-S409 PolarHBondContact O-OG 3.17Å; F407-S409 PolarHBondContact O-N 3.39Å; S409-Y445 WeakPolarHBondContact O-CE2 3.4Å; S409-Y445 PolarHBondContact O-OH 3.06Å; S409-Y445 VanDerWaalsContact O-OH 3.13Å
410	V	93.1	Very high	87.1	Confident	4 Å²	4	9.6 Å²	9.6	2%	0.024	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-100	3.2	178.5	-60.3	0	0	0	0	112.6	C149 T153 Y406 F407 P408 Y445	C149-V410 HydrophobicContact CB-CG1 4.17Å; C149-V410 HydrophobicContact CB-CG2 3.79Å; T153-V410 HydrophobicContact CG2-CB 3.98Å; T153-V410 HydrophobicContact CG2-CG2 3.67Å; T153-V410 WeakPolarHBondContact CG2-O 3.37Å; Y406-V410 HydrophobicContact CE1-CG1 4.23Å; F407-V410 HydrophobicContact CD2-CG2 4.14Å; F407-V410 HydrophobicContact CE2-CG2 4.2Å; F407-V410 WeakPolarHBondContact O-CG2 3.34Å; F407-V410 PolarHBondContact O-N 2.88Å; F407-V410 VanDerWaalsContact O-N 3.09Å; P408-V410 PolarHBondContact O-N 3.26Å; V410-Y445 HydrophobicContact CG1-CD2 4.2Å; V410-Y445 HydrophobicContact CG1-CE2 4.36Å
411	T	92.1	Very high	86.3	Confident	3 Å²	3	7 Å²	7	2%	0.018	5%	0.049	C	C	.	.			trans	-78.4	172.9	178.8	66.6	0	0	0	0	111.9	I121 F407 P408 F564	I121-T411 WeakPolarHBondContact CA-O 3.44Å; I121-T411 VanDerWaalsContact CG1-O 3.31Å; I121-T411 WeakPolarHBondContact CG1-O 3.46Å; F407-T411 HydrophobicContact CD1-CG2 3.98Å; F407-T411 HydrophobicContact CE1-CG2 3.78Å; P408-T411 PolarHBondContact O-N 2.94Å; P408-T411 PolarHBondContact O-OG1 3.23Å; T411-F564 HydrophobicContact CG2-CB 3.9Å; T411-F564 HydrophobicContact CG2-CD1 4.27Å; T411-F564 HydrophobicContact CG2-CD2 3.95Å; T411-F564 HydrophobicContact CG2-CG 3.78Å
412	G	87.1	Confident	85.7	Confident	12 Å²	12	7 Å²	7	12%	0.124	5%	0.049	C	C	.	.			trans	95.9	6.2	179.5	0	0	0	0	0	115.5	M414 A415	G412-M414 PolarHBondContact O-N 3.14Å; G412-M414 VanDerWaalsContact O-N 3.11Å; G412-A415 VanDerWaalsContact O-CB 3.25Å; G412-A415 WeakPolarHBondContact O-CB 3.38Å; G412-A415 PolarHBondContact O-N 3.45Å
413	I	92.4	Very high	85.3	Confident	5 Å²	5	7.2 Å²	7.2	3%	0.026	5%	0.05	C	C	.	.	G	3₁₀ helix	trans	-59.5	-25	179.5	67.6	175.2	0	0	0	113.9	I121 T156 A415 T434 I438 Y568	I121-I413 HydrophobicContact CD1-CG2 4.46Å; T156-I413 HydrophobicContact CG2-CD1 3.94Å; I413-A415 VanDerWaalsContact C-N 3.3Å; I413-A415 PolarHBondContact O-N 2.92Å; I413-T434 HydrophobicContact CB-CG2 4.44Å; I413-I438 HydrophobicContact CB-CD1 4.09Å; I413-I438 HydrophobicContact CG2-CD1 3.58Å; I413-I438 HydrophobicContact CG2-CG1 3.82Å; I413-Y568 HydrophobicContact CD1-CD1 4.46Å; I413-Y568 HydrophobicContact CD1-CE1 3.99Å; I413-Y568 HydrophobicContact CG1-CE1 4.01Å
414	M	87.8	Confident	85	Confident	3 Å²	3	10 Å²	10	2%	0.015	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-78.5	-13.3	-179.8	-64.4	-172.1	175.2	0	0	113.2	M160 F194 G412 G416 S417 C567 Y568 V571	M160-M414 HydrophobicContact CE-CE 4.43Å; M160-M414 HydrophobicContact CE-CG 4.22Å; M160-M414 HydrophobicContact SD-CE 4.1Å; F194-M414 HydrophobicContact CD1-SD 4.35Å; F194-M414 HydrophobicContact CD2-SD 4.27Å; F194-M414 HydrophobicContact CE1-CB 4.35Å; F194-M414 HydrophobicContact CE1-SD 4.44Å; F194-M414 HydrophobicContact CE2-CB 4.34Å; F194-M414 HydrophobicContact CE2-SD 4.36Å; F194-M414 HydrophobicContact CG-SD 4.3Å; F194-M414 HydrophobicContact CZ-CB 3.93Å; F194-M414 HydrophobicContact CZ-SD 4.45Å; G412-M414 PolarHBondContact O-N 3.14Å; G412-M414 VanDerWaalsContact O-N 3.11Å; M414-G416 PolarHBondContact O-N 2.92Å; M414-S417 PolarHBondContact O-N 3.46Å; M414-S417 PolarHBondContact O-OG 3.01Å; M414-C567 VanDerWaalsContact CE-SG 3.52Å; M414-Y568 HydrophobicContact CE-CD1 4Å; M414-Y568 HydrophobicContact CE-CE1 4.04Å; M414-V571 HydrophobicContact CE-CG2 3.86Å
415	A	82.8	Confident	85	Confident	8 Å²	8	14.8 Å²	14.8	7%	0.066	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-60.4	-33.6	-177.6	0	0	0	0	0	113.3	N120 G412 I413 S417 N418	N120-A415 HydrophobicContact CB-CB 3.87Å; N120-A415 WeakPolarHBondContact ND2-CB 3.3Å; G412-A415 VanDerWaalsContact O-CB 3.25Å; G412-A415 WeakPolarHBondContact O-CB 3.38Å; G412-A415 PolarHBondContact O-N 3.45Å; I413-A415 VanDerWaalsContact C-N 3.3Å; I413-A415 PolarHBondContact O-N 2.92Å; A415-S417 VanDerWaalsContact C-N 3.25Å; A415-S417 PolarHBondContact O-N 2.85Å; A415-N418 WeakPolarHBondContact O-CB 3.21Å; A415-N418 PolarHBondContact O-N 3.01Å
416	G	78.7	Confident	84.8	Confident	0 Å²	0	16 Å²	16	0%	0	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-64.7	-27.7	176.7	0	0	0	0	0	113.7	M414	M414-G416 PolarHBondContact O-N 2.92Å
417	S	84.9	Confident	84.7	Confident	2 Å²	2	18.9 Å²	18.9	1%	0.014	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-86.2	-9.8	177.7	65.5	0	0	0	0	113.9	G173 S174 M414 A415 R419 S420	G173-S417 CarbonylContact C-O 3.59Å; G173-S417 VanDerWaalsContact CA-O 3.26Å; G173-S417 WeakPolarHBondContact CA-O 3.34Å; S174-S417 VanDerWaalsContact CB-OG 3.24Å; S174-S417 WeakPolarHBondContact CB-OG 3.35Å; S174-S417 PolarHBondContact N-O 3.45Å; M414-S417 PolarHBondContact O-N 3.46Å; M414-S417 PolarHBondContact O-OG 3.01Å; A415-S417 VanDerWaalsContact C-N 3.25Å; A415-S417 PolarHBondContact O-N 2.85Å; S417-R419 PolarHBondContact O-N 2.81Å; S417-S420 PolarHBondContact O-N 3.4Å
418	N	80.7	Confident	84.6	Confident	14 Å²	14	26.1 Å²	26.1	8%	0.075	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-71.4	-10.4	-179.2	-71.3	-17.3	0	0	0	114.3	I84 E85 S174 A415	I84-N418 HydrophobicContact CB-CB 4.33Å; I84-N418 HydrophobicContact CG1-CB 3.91Å; I84-N418 HydrophobicContact CG2-CB 4.28Å; E85-N418 PolarHBondContact N-O 2.64Å; S174-N418 VanDerWaalsContact CB-OD1 3.25Å; S174-N418 WeakPolarHBondContact CB-OD1 3.12Å; S174-N418 PolarHBondContact N-OD1 3.5Å; S174-N418 PolarHBondContact OG-OD1 2.94Å; A415-N418 WeakPolarHBondContact O-CB 3.21Å; A415-N418 PolarHBondContact O-N 3.01Å
419	R	73.9	Confident	84.6	Confident	1 Å²	1	26.2 Å²	26.2	0%	0.004	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-112.2	33.6	176.9	-55.9	-174.6	-166.8	169.7	9.1	112.2	T81 G82 E85 L111 P116 S417 G421 D422 L423	T81-R419 PolarHBondContact O-NE 2.89Å; T81-R419 PolarHBondContact O-NH1 3.43Å; T81-R419 PolarHBondContact O-NH2 3.36Å; G82-R419 VanDerWaalsContact C-NH2 3.31Å; G82-R419 PolarHBondContact O-NH2 2.86Å; G82-R419 VanDerWaalsContact O-NH2 3.12Å; E85-R419 WeakPolarHBondContact OE1-CA 3.29Å; L111-R419 PolarHBondContact O-NH1 3.45Å; P116-R419 VanDerWaalsContact CG-NH2 3.26Å; S417-R419 PolarHBondContact O-N 2.81Å; R419-G421 PolarHBondContact O-N 3.46Å; R419-D422 PolarHBondContact O-N 3.2Å; R419-L423 WeakPolarHBondContact O-CG 3.17Å
420	S	76.7	Confident	84.6	Confident	3 Å²	3	26.3 Å²	26.3	2%	0.021	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-24.5	-173.2	62.7	0	0	0	0	113.6	P170 G173 S417	P170-S420 PolarHBondContact O-OG 2.97Å; G173-S420 PolarHBondContact N-OG 3.01Å; S417-S420 PolarHBondContact O-N 3.4Å
421	G	70.5	Confident	84.7	Confident	28 Å²	28	26.4 Å²	26.4	29%	0.289	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-26.5	-177.2	0	0	0	0	0	114.5	E85 R419	E85-G421 PolarHBondContact OE1-N 3.1Å; E85-G421 VanDerWaalsContact OE1-N 3.16Å; E85-G421 VanDerWaalsContact OE2-CA 3.25Å; E85-G421 WeakPolarHBondContact OE2-CA 3.17Å; E85-G421 PolarHBondContact OE2-N 3.37Å; R419-G421 PolarHBondContact O-N 3.46Å
422	D	73.7	Confident	84.7	Confident	53 Å²	53	31.5 Å²	31.5	28%	0.283	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-4.2	-178.9	-69	-22.4	0	0	0	113.6	E85 K95 L107 R419	E85-D422 WeakPolarHBondContact OE1-CB 3.31Å; E85-D422 VanDerWaalsContact OE1-CG 3.23Å; E85-D422 PolarHBondContact OE1-N 3.43Å; K95-D422 IonicContact NZ-OD1 3.48Å; L107-D422 HydrophobicContact CD1-CB 3.88Å; L107-D422 HydrophobicContact CG-CB 4.35Å; L107-D422 PolarHBondContact N-O 3.11Å; R419-D422 PolarHBondContact O-N 3.2Å
423	L	82.2	Confident	85	Confident	5 Å²	5	31 Å²	31	3%	0.026	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-78.2	140.5	179.8	-69.2	169.6	0	0	0	112.6	L107 V113 R419 N425 P426 I430	L107-L423 HydrophobicContact CB-CD2 4.22Å; L107-L423 WeakPolarHBondContact O-CA 3.43Å; V113-L423 HydrophobicContact CG2-CD1 3.6Å; V113-L423 HydrophobicContact CG2-CD2 3.78Å; V113-L423 HydrophobicContact CG2-CG 4.35Å; R419-L423 WeakPolarHBondContact O-CG 3.17Å; L423-N425 PolarHBondContact O-N 3.05Å; L423-P426 HydrophobicContact CB-CB 4.23Å; L423-P426 HydrophobicContact CD1-CB 4.16Å; L423-I430 HydrophobicContact CD1-CD1 4.37Å; L423-I430 HydrophobicContact CD1-CG1 3.85Å
424	T	83.3	Confident	85.1	Confident	61 Å²	61	31.1 Å²	31.1	37%	0.374	17%	0.168	S	C	.	.	S	Bend	trans	-60.6	-45	173.8	-49.2	0	0	0	0	112	R106 L107	R106-T424 WeakPolarHBondContact CB-OG1 3.41Å; L107-T424 PolarHBondContact O-N 3.2Å; L107-T424 PolarHBondContact O-OG1 3.31Å
425	N	87	Confident	85.5	Confident	101 Å²	101	32.9 Å²	32.9	54%	0.54	18%	0.177	S	C	.	.			trans	-140.2	81.4	-177.7	-77.3	-40.3	0	0	0	110.6	L423 Q427 K428 S429	L423-N425 PolarHBondContact O-N 3.05Å; N425-Q427 VanDerWaalsContact C-N 3.32Å; N425-Q427 PolarHBondContact O-N 2.86Å; N425-K428 PolarHBondContact O-N 3.04Å; N425-S429 WeakPolarHBondContact O-CB 3.31Å; N425-S429 PolarHBondContact O-N 3.42Å; N425-S429 PolarHBondContact O-OG 3.42Å
426	P	86.4	Confident	86	Confident	27 Å²	27	36.4 Å²	36.4	18%	0.175	19%	0.194	C	C	.	.	H	α-helix	trans	-59.7	-37.5	-173.6	21	-32.6	0	0	0	113.5	V169 L423 K428 S429 I430	V169-P426 HydrophobicContact CB-CB 3.95Å; V169-P426 HydrophobicContact CB-CG 3.91Å; V169-P426 HydrophobicContact CG1-CB 3.98Å; V169-P426 HydrophobicContact CG1-CG 4.38Å; V169-P426 HydrophobicContact CG2-CB 4.27Å; V169-P426 HydrophobicContact CG2-CG 4.44Å; L423-P426 HydrophobicContact CB-CB 4.23Å; L423-P426 HydrophobicContact CD1-CB 4.16Å; P426-K428 VanDerWaalsContact C-N 3.26Å; P426-K428 PolarHBondContact O-N 3.03Å; P426-S429 PolarHBondContact O-N 2.82Å; P426-I430 HydrophobicContact CB-CD1 4.05Å; P426-I430 WeakPolarHBondContact O-CB 3.28Å; P426-I430 VanDerWaalsContact O-CG1 3.29Å; P426-I430 WeakPolarHBondContact O-CG1 3.46Å; P426-I430 PolarHBondContact O-N 2.99Å
427	Q	89.7	Confident	86.8	Confident	61 Å²	61	36.4 Å²	36.4	29%	0.285	19%	0.194	S	C	.	.	H	α-helix	trans	-60.5	-30.6	179.4	-69.2	174.5	-9.9	0	0	113.7	G167 V169 N425 P431 R589	G167-Q427 PolarHBondContact O-NE2 2.92Å; V169-Q427 HydrophobicContact CG2-CG 3.74Å; N425-Q427 VanDerWaalsContact C-N 3.32Å; N425-Q427 PolarHBondContact O-N 2.86Å; Q427-P431 WeakPolarHBondContact O-CD 3.22Å; Q427-P431 WeakPolarHBondContact O-CG 3.25Å; Q427-R589 VanDerWaalsContact CD-NH2 3.32Å
428	K	90.3	Very high	87.3	Confident	152 Å²	152	36.4 Å²	36.4	66%	0.661	19%	0.194	S	C	*	.	H	α-helix	trans	-95	-41.4	177.6	-173.8	177.6	179.5	178.8	0	111.4	N425 P426 M432	N425-K428 PolarHBondContact O-N 3.04Å; P426-K428 VanDerWaalsContact C-N 3.26Å; P426-K428 PolarHBondContact O-N 3.03Å; K428-M432 WeakPolarHBondContact O-CB 3.22Å; K428-M432 PolarHBondContact O-N 2.73Å
429	S	91.8	Very high	88	Confident	6 Å²	6	38.6 Å²	38.6	4%	0.042	21%	0.208	C	C	.	.	H	α-helix	trans	-70	-37.7	-175.7	-68.7	0	0	0	0	113.4	T109 N425 P426 G433	T109-S429 WeakPolarHBondContact OG1-CB 3.34Å; T109-S429 PolarHBondContact OG1-OG 3.33Å; N425-S429 WeakPolarHBondContact O-CB 3.31Å; N425-S429 PolarHBondContact O-N 3.42Å; N425-S429 PolarHBondContact O-OG 3.42Å; P426-S429 PolarHBondContact O-N 2.82Å; S429-G433 PolarHBondContact O-N 3.47Å
430	I	92.1	Very high	88.9	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.015	23%	0.23	C	C	.	.	H	α-helix	trans	-66.4	-51.9	-178	-64.9	168.6	0	0	0	111.8	V113 A164 V169 M177 L423 P426 T434	V113-I430 HydrophobicContact CG2-CG1 4.38Å; A164-I430 HydrophobicContact CB-CB 4.19Å; A164-I430 HydrophobicContact CB-CD1 4.43Å; A164-I430 HydrophobicContact CB-CG2 3.93Å; V169-I430 HydrophobicContact CG1-CD1 4.2Å; M177-I430 HydrophobicContact SD-CD1 4.01Å; L423-I430 HydrophobicContact CD1-CD1 4.37Å; L423-I430 HydrophobicContact CD1-CG1 3.85Å; P426-I430 HydrophobicContact CB-CD1 4.05Å; P426-I430 WeakPolarHBondContact O-CB 3.28Å; P426-I430 VanDerWaalsContact O-CG1 3.29Å; P426-I430 WeakPolarHBondContact O-CG1 3.46Å; P426-I430 PolarHBondContact O-N 2.99Å; I430-T434 VanDerWaalsContact O-CB 3.25Å; I430-T434 WeakPolarHBondContact O-CB 3.27Å; I430-T434 PolarHBondContact O-N 3.41Å; I430-T434 PolarHBondContact O-OG1 3.03Å
431	P	93.8	Very high	89.7	Confident	6 Å²	6	43.1 Å²	43.1	4%	0.039	23%	0.23	C	C	.	.	H	α-helix	trans	-60.3	-49.3	177	-26.3	36.6	0	0	0	112.7	S161 T165 Q427 I435 F590	S161-P431 WeakPolarHBondContact OG-CA 3.34Å; T165-P431 HydrophobicContact CG2-CG 4.16Å; Q427-P431 WeakPolarHBondContact O-CD 3.22Å; Q427-P431 WeakPolarHBondContact O-CG 3.25Å; P431-I435 WeakPolarHBondContact O-CB 3.37Å; P431-I435 VanDerWaalsContact O-CG1 3.27Å; P431-I435 WeakPolarHBondContact O-CG1 3.36Å; P431-I435 PolarHBondContact O-N 2.74Å; P431-F590 HydrophobicContact CB-CD2 4.36Å; P431-F590 HydrophobicContact CB-CE2 4.02Å
432	M	93.4	Very high	90.8	Very high	111 Å²	111	42.4 Å²	42.4	55%	0.547	22%	0.221	S	C	.	.	H	α-helix	trans	-65.4	-45.6	-175.9	-173.6	-179.9	-177.3	0	0	111.8	T109 K428 L436	T109-M432 HydrophobicContact CG2-CB 4.14Å; T109-M432 HydrophobicContact CG2-CG 4.24Å; T109-M432 HydrophobicContact CG2-SD 4.41Å; K428-M432 WeakPolarHBondContact O-CB 3.22Å; K428-M432 PolarHBondContact O-N 2.73Å; M432-L436 VanDerWaalsContact O-CB 3.25Å; M432-L436 WeakPolarHBondContact O-CB 3.4Å; M432-L436 PolarHBondContact O-N 3.45Å; M432-L436 VanDerWaalsContact O-N 3.14Å
433	G	93.5	Very high	91.8	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-69.2	-40.4	-178.3	0	0	0	0	0	113.1	S429 A437	S429-G433 PolarHBondContact O-N 3.47Å; G433-A437 VanDerWaalsContact O-CB 3.31Å; G433-A437 WeakPolarHBondContact O-CB 3.44Å; G433-A437 PolarHBondContact O-N 3.33Å; G433-A437 VanDerWaalsContact O-N 3.08Å
434	T	94.5	Very high	92.4	Very high	8 Å²	8	45.6 Å²	45.6	5%	0.049	24%	0.238	C	C	.	.	H	α-helix	trans	-69.4	-46.8	-179.8	-52	0	0	0	0	111.4	A157 I413 I430 A437 I438	A157-T434 HydrophobicContact CB-CG2 4.21Å; I413-T434 HydrophobicContact CB-CG2 4.44Å; I430-T434 VanDerWaalsContact O-CB 3.25Å; I430-T434 WeakPolarHBondContact O-CB 3.27Å; I430-T434 PolarHBondContact O-N 3.41Å; I430-T434 PolarHBondContact O-OG1 3.03Å; T434-A437 PolarHBondContact O-N 2.97Å; T434-I438 HydrophobicContact CG2-CD1 3.98Å; T434-I438 WeakPolarHBondContact O-CG1 3.12Å; T434-I438 PolarHBondContact O-N 2.99Å
435	I	95	Very high	92.9	Very high	40 Å²	40	42.7 Å²	42.7	21%	0.205	22%	0.221	C	C	.	.	H	α-helix	trans	-63.7	-45.3	179.6	-66.8	170.1	0	0	0	110.4	M154 L158 P431 A437 I438 T439 F590	M154-I435 HydrophobicContact SD-CG2 4.38Å; L158-I435 HydrophobicContact CD2-CD1 4.08Å; P431-I435 WeakPolarHBondContact O-CB 3.37Å; P431-I435 VanDerWaalsContact O-CG1 3.27Å; P431-I435 WeakPolarHBondContact O-CG1 3.36Å; P431-I435 PolarHBondContact O-N 2.74Å; I435-A437 VanDerWaalsContact C-N 3.3Å; I435-A437 PolarHBondContact O-N 3.4Å; I435-I438 PolarHBondContact O-N 3.45Å; I435-T439 PolarHBondContact O-N 3.5Å; I435-T439 PolarHBondContact O-OG1 3.01Å; I435-T439 VanDerWaalsContact O-OG1 3.05Å; I435-F590 HydrophobicContact CD1-CZ 3.82Å
436	L	94.9	Very high	93.2	Very high	82 Å²	82	39.3 Å²	39.3	43%	0.429	20%	0.202	S	C	.	.	H	α-helix	trans	-61.2	-39.2	178	-162.3	107.1	0	0	0	112	F114 M432 M440	F114-L436 HydrophobicContact CD2-CB 4.17Å; F114-L436 HydrophobicContact CD2-CD2 3.54Å; F114-L436 HydrophobicContact CD2-CG 4.3Å; F114-L436 HydrophobicContact CE2-CB 4.48Å; F114-L436 HydrophobicContact CE2-CD2 3.53Å; F114-L436 HydrophobicContact CE2-CG 4.24Å; F114-L436 HydrophobicContact CG-CD2 4.14Å; F114-L436 HydrophobicContact CZ-CD2 4.12Å; M432-L436 VanDerWaalsContact O-CB 3.25Å; M432-L436 WeakPolarHBondContact O-CB 3.4Å; M432-L436 PolarHBondContact O-N 3.45Å; M432-L436 VanDerWaalsContact O-N 3.14Å; L436-M440 WeakPolarHBondContact O-CB 3.46Å; L436-M440 WeakPolarHBondContact O-CG 3.36Å; L436-M440 PolarHBondContact O-N 3.4Å
437	A	94.4	Very high	93.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.4	-46.5	176.5	0	0	0	0	0	112	F114 C117 G433 T434 I435 M440 T441	F114-A437 HydrophobicContact CD2-CB 3.75Å; F114-A437 HydrophobicContact CE2-CB 4.16Å; C117-A437 HydrophobicContact CB-CB 3.59Å; G433-A437 VanDerWaalsContact O-CB 3.31Å; G433-A437 WeakPolarHBondContact O-CB 3.44Å; G433-A437 PolarHBondContact O-N 3.33Å; G433-A437 VanDerWaalsContact O-N 3.08Å; T434-A437 PolarHBondContact O-N 2.97Å; I435-A437 VanDerWaalsContact C-N 3.3Å; I435-A437 PolarHBondContact O-N 3.4Å; A437-M440 PolarHBondContact O-N 2.71Å; A437-T441 WeakPolarHBondContact O-CB 3.5Å; A437-T441 VanDerWaalsContact O-CG2 3.23Å; A437-T441 WeakPolarHBondContact O-CG2 3.39Å; A437-T441 PolarHBondContact O-N 3.01Å; A437-T441 PolarHBondContact O-OG1 3.45Å
438	I	95.1	Very high	93.7	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-63.3	-47.4	177.4	-64.6	167.9	0	0	0	110	I121 M154 A157 I413 T434 I435 M440 T441 S442	I121-I438 HydrophobicContact CD1-CG1 4.28Å; M154-I438 HydrophobicContact CE-CB 4.18Å; M154-I438 HydrophobicContact CE-CG2 3.68Å; A157-I438 HydrophobicContact CB-CD1 3.33Å; I413-I438 HydrophobicContact CB-CD1 4.09Å; I413-I438 HydrophobicContact CG2-CD1 3.58Å; I413-I438 HydrophobicContact CG2-CG1 3.82Å; T434-I438 HydrophobicContact CG2-CD1 3.98Å; T434-I438 WeakPolarHBondContact O-CG1 3.12Å; T434-I438 PolarHBondContact O-N 2.99Å; I435-I438 PolarHBondContact O-N 3.45Å; I438-M440 VanDerWaalsContact C-N 3.34Å; I438-M440 PolarHBondContact O-N 2.93Å; I438-T441 WeakPolarHBondContact CA-OG1 3.33Å; I438-T441 PolarHBondContact O-N 3.13Å; I438-T441 PolarHBondContact O-OG1 2.88Å; I438-S442 VanDerWaalsContact O-CB 3.29Å; I438-S442 WeakPolarHBondContact O-CB 3.34Å; I438-S442 PolarHBondContact O-N 2.77Å; I438-S442 PolarHBondContact O-OG 3.3Å
439	T	94.9	Very high	93.7	Very high	60 Å²	60	29.9 Å²	29.9	37%	0.368	16%	0.163	S	C	.	.	H	α-helix	trans	-57.1	-45.9	177.9	-58.3	0	0	0	0	112	I435 L443	I435-T439 PolarHBondContact O-N 3.5Å; I435-T439 PolarHBondContact O-OG1 3.01Å; I435-T439 VanDerWaalsContact O-OG1 3.05Å; T439-L443 HydrophobicContact CG2-CD1 4.41Å; T439-L443 VanDerWaalsContact O-CG 3.3Å; T439-L443 WeakPolarHBondContact O-CG 3.45Å; T439-L443 PolarHBondContact O-N 2.87Å
440	M	94.1	Very high	93.8	Very high	95 Å²	95	32 Å²	32	47%	0.468	17%	0.174	S	C	.	.	H	α-helix	trans	-63.9	-46.6	178.3	-77.6	-69.7	153.5	0	0	112.5	F114 L436 A437 I438 L443 V444	F114-M440 HydrophobicContact CE2-CB 4.45Å; F114-M440 HydrophobicContact CE2-CG 4.26Å; F114-M440 HydrophobicContact CZ-CG 4.43Å; L436-M440 WeakPolarHBondContact O-CB 3.46Å; L436-M440 WeakPolarHBondContact O-CG 3.36Å; L436-M440 PolarHBondContact O-N 3.4Å; A437-M440 PolarHBondContact O-N 2.71Å; I438-M440 VanDerWaalsContact C-N 3.34Å; I438-M440 PolarHBondContact O-N 2.93Å; M440-L443 PolarHBondContact O-N 3.01Å; M440-V444 PolarHBondContact O-N 3.23Å; M440-V444 VanDerWaalsContact O-N 3.16Å
441	T	93.4	Very high	93.8	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.018	18%	0.182	C	C	.	.	H	α-helix	trans	-65.7	-41.3	179.2	56.2	0	0	0	0	111.9	I121 F122 A437 I438 L443 V444 Y445	I121-T441 HydrophobicContact CB-CG2 3.95Å; I121-T441 HydrophobicContact CD1-CG2 4.09Å; I121-T441 HydrophobicContact CG2-CG2 3.61Å; F122-T441 HydrophobicContact CD1-CG2 4.39Å; F122-T441 HydrophobicContact CD2-CG2 4.45Å; F122-T441 HydrophobicContact CE1-CG2 3.89Å; F122-T441 HydrophobicContact CE2-CG2 3.97Å; F122-T441 HydrophobicContact CZ-CG2 3.67Å; A437-T441 WeakPolarHBondContact O-CB 3.5Å; A437-T441 VanDerWaalsContact O-CG2 3.23Å; A437-T441 WeakPolarHBondContact O-CG2 3.39Å; A437-T441 PolarHBondContact O-N 3.01Å; A437-T441 PolarHBondContact O-OG1 3.45Å; I438-T441 WeakPolarHBondContact CA-OG1 3.33Å; I438-T441 PolarHBondContact O-N 3.13Å; I438-T441 PolarHBondContact O-OG1 2.88Å; T441-L443 VanDerWaalsContact C-N 3.34Å; T441-L443 PolarHBondContact O-N 2.79Å; T441-V444 PolarHBondContact O-N 3.21Å; T441-Y445 WeakPolarHBondContact O-CB 3.5Å; T441-Y445 VanDerWaalsContact O-CD2 3.23Å; T441-Y445 WeakPolarHBondContact O-CD2 3.32Å; T441-Y445 VanDerWaalsContact O-CG 3.31Å; T441-Y445 PolarHBondContact O-N 3.02Å
442	S	94.4	Very high	93.7	Very high	14 Å²	14	33.5 Å²	33.5	10%	0.098	18%	0.181	C	C	.	.	H	α-helix	trans	-60.8	-39.1	174.3	-63.7	0	0	0	0	112.5	C150 I438 Y445 L446	C150-S442 WeakPolarHBondContact CB-OG 3.47Å; C150-S442 PolarHBondContact SG-OG 3.4Å; I438-S442 VanDerWaalsContact O-CB 3.29Å; I438-S442 WeakPolarHBondContact O-CB 3.34Å; I438-S442 PolarHBondContact O-N 2.77Å; I438-S442 PolarHBondContact O-OG 3.3Å; S442-Y445 PolarHBondContact O-N 2.98Å; S442-L446 WeakPolarHBondContact O-CB 3.45Å; S442-L446 VanDerWaalsContact O-CG 3.23Å; S442-L446 WeakPolarHBondContact O-CG 3.45Å; S442-L446 PolarHBondContact O-N 3.25Å
443	L	94.5	Very high	93.6	Very high	102 Å²	102	28.2 Å²	28.2	53%	0.534	16%	0.155	S	C	.	.	H	α-helix	trans	-63.2	-41.9	174.7	-73.5	172	0	0	0	111.8	T439 M440 T441 S447	T439-L443 HydrophobicContact CG2-CD1 4.41Å; T439-L443 VanDerWaalsContact O-CG 3.3Å; T439-L443 WeakPolarHBondContact O-CG 3.45Å; T439-L443 PolarHBondContact O-N 2.87Å; M440-L443 PolarHBondContact O-N 3.01Å; T441-L443 VanDerWaalsContact C-N 3.34Å; T441-L443 PolarHBondContact O-N 2.79Å; L443-S447 WeakPolarHBondContact O-CB 3.45Å; L443-S447 PolarHBondContact O-N 3.42Å; L443-S447 VanDerWaalsContact O-N 3.12Å; L443-S447 PolarHBondContact O-OG 3.49Å
444	V	93.6	Very high	93.5	Very high	22 Å²	22	28.8 Å²	28.8	13%	0.133	16%	0.159	C	C	.	.	H	α-helix	trans	-63.1	-45	175.7	172.7	0	0	0	0	110.8	F122 L126 I274 Y278 M440 T441 S447 S448	F122-V444 HydrophobicContact CE1-CB 4.22Å; F122-V444 HydrophobicContact CE1-CG1 4.08Å; F122-V444 HydrophobicContact CE1-CG2 4.46Å; F122-V444 HydrophobicContact CZ-CG2 4.28Å; L126-V444 HydrophobicContact CD2-CG1 4.36Å; I274-V444 HydrophobicContact CG2-CG1 4.25Å; Y278-V444 HydrophobicContact CE2-CG1 4.26Å; Y278-V444 HydrophobicContact CE2-CG2 4.46Å; Y278-V444 VanDerWaalsContact OH-CA 3.3Å; Y278-V444 WeakPolarHBondContact OH-CA 3.25Å; Y278-V444 PolarHBondContact OH-O 2.93Å; M440-V444 PolarHBondContact O-N 3.23Å; M440-V444 VanDerWaalsContact O-N 3.16Å; T441-V444 PolarHBondContact O-N 3.21Å; V444-S447 PolarHBondContact O-OG 3.17Å; V444-S447 VanDerWaalsContact O-OG 3.13Å; V444-S448 WeakPolarHBondContact O-CB 3.07Å; V444-S448 PolarHBondContact O-N 2.86Å; V444-S448 VanDerWaalsContact O-N 3.08Å; V444-S448 PolarHBondContact O-OG 2.75Å
445	Y	93.9	Very high	93.4	Very high	1 Å²	1	28.4 Å²	28.4	0%	0.004	16%	0.157	C	C	.	.	H	α-helix	trans	-70.5	-33.5	-178.7	-71.8	-32	0	0	0	114.9	I121 F122 L126 Y406 S409 V410 T441 S442 P449	I121-Y445 HydrophobicContact CG2-CE2 3.76Å; I121-Y445 PolarHBondContact O-OH 2.82Å; I121-Y445 VanDerWaalsContact O-OH 3.06Å; F122-Y445 HydrophobicContact CD1-CE1 4.42Å; L126-Y445 HydrophobicContact CB-CE1 4.06Å; L126-Y445 HydrophobicContact CD1-CD1 3.89Å; L126-Y445 HydrophobicContact CD1-CE1 3.82Å; L126-Y445 HydrophobicContact CD2-CE1 4.08Å; L126-Y445 HydrophobicContact CG-CE1 4.18Å; Y406-Y445 VanDerWaalsContact OH-CB 3.27Å; Y406-Y445 WeakPolarHBondContact OH-CB 3.48Å; S409-Y445 WeakPolarHBondContact O-CE2 3.4Å; S409-Y445 PolarHBondContact O-OH 3.06Å; S409-Y445 VanDerWaalsContact O-OH 3.13Å; V410-Y445 HydrophobicContact CG1-CD2 4.2Å; V410-Y445 HydrophobicContact CG1-CE2 4.36Å; T441-Y445 WeakPolarHBondContact O-CB 3.5Å; T441-Y445 VanDerWaalsContact O-CD2 3.23Å; T441-Y445 WeakPolarHBondContact O-CD2 3.32Å; T441-Y445 VanDerWaalsContact O-CG 3.31Å; T441-Y445 PolarHBondContact O-N 3.02Å; S442-Y445 PolarHBondContact O-N 2.98Å; Y445-P449 WeakPolarHBondContact O-CD 3.47Å
446	L	93.6	Very high	93.2	Very high	30 Å²	30	26.5 Å²	26.5	16%	0.157	15%	0.147	C	C	.	.	H	α-helix	trans	-77.6	-33.6	177.4	-72.1	168.1	0	0	0	112.1	F143 V146 L147 S442	F143-L446 HydrophobicContact CD2-CB 4.44Å; F143-L446 HydrophobicContact CD2-CD2 3.89Å; F143-L446 HydrophobicContact CE2-CB 4.02Å; F143-L446 HydrophobicContact CE2-CD2 3.68Å; F143-L446 HydrophobicContact CE2-CG 4.35Å; F143-L446 HydrophobicContact CG-CD2 4.44Å; F143-L446 HydrophobicContact CZ-CD2 4.05Å; V146-L446 HydrophobicContact CB-CD2 3.93Å; V146-L446 HydrophobicContact CG1-CD2 3.62Å; V146-L446 HydrophobicContact CG1-CG 3.92Å; L147-L446 HydrophobicContact CB-CD2 4.18Å; S442-L446 WeakPolarHBondContact O-CB 3.45Å; S442-L446 VanDerWaalsContact O-CG 3.23Å; S442-L446 WeakPolarHBondContact O-CG 3.45Å; S442-L446 PolarHBondContact O-N 3.25Å
447	S	94	Very high	93	Very high	37 Å²	37	23.4 Å²	23.4	26%	0.259	13%	0.131	S	C	.	.	H	α-helix	trans	-77.2	-34.8	178.8	55.9	0	0	0	0	113.2	Y278 L443 V444 L450 L451	Y278-S447 PolarHBondContact OH-OG 2.72Å; L443-S447 WeakPolarHBondContact O-CB 3.45Å; L443-S447 PolarHBondContact O-N 3.42Å; L443-S447 VanDerWaalsContact O-N 3.12Å; L443-S447 PolarHBondContact O-OG 3.49Å; V444-S447 PolarHBondContact O-OG 3.17Å; V444-S447 VanDerWaalsContact O-OG 3.13Å; S447-L450 PolarHBondContact O-N 2.96Å; S447-L451 WeakPolarHBondContact O-CG 3.44Å; S447-L451 PolarHBondContact O-N 3.12Å
448	S	91.8	Very high	92.7	Very high	5 Å²	5	23.5 Å²	23.5	4%	0.035	13%	0.132	C	C	.	.	H	α-helix	trans	-58.6	-49.5	-174.5	-60	0	0	0	0	114.1	V444 L450 L451 F452	V444-S448 WeakPolarHBondContact O-CB 3.07Å; V444-S448 PolarHBondContact O-N 2.86Å; V444-S448 VanDerWaalsContact O-N 3.08Å; V444-S448 PolarHBondContact O-OG 2.75Å; S448-L450 VanDerWaalsContact C-N 3.33Å; S448-L450 PolarHBondContact O-N 3.4Å; S448-L451 PolarHBondContact O-N 3.12Å; S448-F452 WeakPolarHBondContact O-CB 3.42Å; S448-F452 WeakPolarHBondContact O-CD1 3.41Å; S448-F452 WeakPolarHBondContact O-CG 3.35Å; S448-F452 PolarHBondContact O-N 3.16Å
449	P	91.4	Very high	92.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59.4	-40.8	178	-24.7	34.4	0	0	0	113.4	V130 T134 T142 V146 Y445 F452 A453	V130-P449 HydrophobicContact CG1-CG 4.14Å; T134-P449 HydrophobicContact CG2-CB 4.14Å; T134-P449 WeakPolarHBondContact CG2-O 3.21Å; T142-P449 HydrophobicContact CG2-CB 3.8Å; T142-P449 HydrophobicContact CG2-CG 3.77Å; V146-P449 HydrophobicContact CG2-CG 4.35Å; Y445-P449 WeakPolarHBondContact O-CD 3.47Å; P449-F452 PolarHBondContact O-N 3.48Å; P449-A453 VanDerWaalsContact O-CB 3.31Å; P449-A453 WeakPolarHBondContact O-CB 3.31Å; P449-A453 PolarHBondContact O-N 2.82Å
450	L	92.9	Very high	92.2	Very high	51 Å²	51	21.6 Å²	21.6	27%	0.267	12%	0.121	S	C	.	.	H	α-helix	trans	-66.3	-42.5	179.8	-62.7	177.1	0	0	0	111.3	A139 F143 F359 F363 S447 S448 A454	A139-L450 HydrophobicContact CB-CD2 4.39Å; F143-L450 HydrophobicContact CD2-CD1 4.02Å; F143-L450 HydrophobicContact CD2-CD2 4.47Å; F143-L450 HydrophobicContact CD2-CG 4.27Å; F143-L450 HydrophobicContact CE2-CD1 4.19Å; F359-L450 HydrophobicContact CE2-CD2 4.4Å; F363-L450 HydrophobicContact CE2-CD2 4.26Å; S447-L450 PolarHBondContact O-N 2.96Å; S448-L450 VanDerWaalsContact C-N 3.33Å; S448-L450 PolarHBondContact O-N 3.4Å; L450-A454 PolarHBondContact O-N 2.92Å
451	L	92.6	Very high	92.1	Very high	37 Å²	37	17.1 Å²	17.1	19%	0.194	10%	0.099	C	C	.	.	H	α-helix	trans	-68	-43.1	177.3	-68.6	177.4	0	0	0	111.7	Y278 V281 S447 S448 A453 A454 I455	Y278-L451 HydrophobicContact CD1-CD1 3.81Å; Y278-L451 HydrophobicContact CE1-CD1 3.56Å; V281-L451 HydrophobicContact CG1-CB 4Å; V281-L451 HydrophobicContact CG1-CD1 4.29Å; V281-L451 HydrophobicContact CG1-CD2 4.04Å; V281-L451 HydrophobicContact CG1-CG 4.32Å; V281-L451 HydrophobicContact CG2-CB 4.32Å; S447-L451 WeakPolarHBondContact O-CG 3.44Å; S447-L451 PolarHBondContact O-N 3.12Å; S448-L451 PolarHBondContact O-N 3.12Å; L451-A453 PolarHBondContact O-N 3.26Å; L451-A454 WeakPolarHBondContact O-CB 3.2Å; L451-A454 PolarHBondContact O-N 2.93Å; L451-A454 VanDerWaalsContact O-N 3.1Å; L451-I455 WeakPolarHBondContact O-CG1 3.12Å; L451-I455 PolarHBondContact O-N 3.23Å
452	F	92.5	Very high	91.9	Very high	3 Å²	3	18.6 Å²	18.6	1%	0.013	10%	0.104	C	C	.	.	H	α-helix	trans	-63.9	-41.7	179.3	-64.9	-5	0	0	0	111.6	V130 V277 S448 P449 A454 I455 C456 M461 V475 F478	V130-F452 HydrophobicContact CB-CE2 4.25Å; V130-F452 HydrophobicContact CG1-CD2 3.96Å; V130-F452 HydrophobicContact CG1-CE2 3.81Å; V277-F452 HydrophobicContact CG1-CE1 3.92Å; V277-F452 HydrophobicContact CG1-CZ 4.06Å; S448-F452 WeakPolarHBondContact O-CB 3.42Å; S448-F452 WeakPolarHBondContact O-CD1 3.41Å; S448-F452 WeakPolarHBondContact O-CG 3.35Å; S448-F452 PolarHBondContact O-N 3.16Å; P449-F452 PolarHBondContact O-N 3.48Å; F452-A454 PolarHBondContact O-N 3.2Å; F452-I455 PolarHBondContact O-N 3.48Å; F452-C456 PolarHBondContact O-N 3.4Å; F452-C456 VanDerWaalsContact O-N 3.11Å; F452-M461 HydrophobicContact CB-CE 3.91Å; F452-V475 HydrophobicContact CE2-CG2 3.94Å; F452-V475 HydrophobicContact CZ-CG2 3.99Å; F452-F478 HydrophobicContact CD1-CE1 4.42Å; F452-F478 HydrophobicContact CD1-CE2 4.47Å; F452-F478 AromaticContact CD1-CZ 3.74Å; F452-F478 HydrophobicContact CD1-CZ 3.74Å; F452-F478 HydrophobicContact CE1-CE1 4.42Å; F452-F478 HydrophobicContact CE1-CE2 4.02Å; F452-F478 AromaticContact CE1-CZ 3.41Å; F452-F478 HydrophobicContact CE1-CZ 3.41Å; F452-F478 VanDerWaalsContact CE1-CZ 3.41Å; F452-F478 AromaticContact CZ-CZ 3.98Å; F452-F478 HydrophobicContact CZ-CZ 3.98Å
453	A	91.8	Very high	91.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63.7	-24.6	174.6	0	0	0	0	0	113.5	T134 A139 F359 N362 P449 L451	T134-A453 HydrophobicContact CG2-CB 4.16Å; A139-A453 HydrophobicContact CB-CB 3.59Å; F359-A453 HydrophobicContact CD2-CB 4.44Å; N362-A453 HydrophobicContact CB-CB 3.97Å; N362-A453 PolarHBondContact ND2-O 3.26Å; P449-A453 VanDerWaalsContact O-CB 3.31Å; P449-A453 WeakPolarHBondContact O-CB 3.31Å; P449-A453 PolarHBondContact O-N 2.82Å; L451-A453 PolarHBondContact O-N 3.26Å
454	A	91.1	Very high	91.2	Very high	12 Å²	12	14.4 Å²	14.4	10%	0.099	8%	0.08	C	C	.	.	H	α-helix	trans	-82.5	-27.5	178	0	0	0	0	0	113.7	L354 F359 L450 L451 F452	L354-A454 HydrophobicContact CD1-CB 3.83Å; F359-A454 HydrophobicContact CB-CB 4.19Å; F359-A454 HydrophobicContact CD2-CB 3.87Å; F359-A454 HydrophobicContact CG-CB 4.42Å; L450-A454 PolarHBondContact O-N 2.92Å; L451-A454 WeakPolarHBondContact O-CB 3.2Å; L451-A454 PolarHBondContact O-N 2.93Å; L451-A454 VanDerWaalsContact O-N 3.1Å; F452-A454 PolarHBondContact O-N 3.2Å
455	I	91.7	Very high	90.9	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-102.2	-26.6	-174	60.8	160.9	0	0	0	114.7	V281 M351 P352 G353 L354 L451 F452 F478	V281-I455 HydrophobicContact CG1-CG2 3.95Å; V281-I455 HydrophobicContact CG2-CD1 4.09Å; M351-I455 CarbonylContact C-O 3.55Å; M351-I455 WeakPolarHBondContact CA-O 3.49Å; P352-I455 VanDerWaalsContact CD-O 3.28Å; P352-I455 WeakPolarHBondContact CD-O 3.21Å; G353-I455 PolarHBondContact N-O 3.46Å; L354-I455 HydrophobicContact CD1-CG2 3.53Å; L451-I455 WeakPolarHBondContact O-CG1 3.12Å; L451-I455 PolarHBondContact O-N 3.23Å; F452-I455 PolarHBondContact O-N 3.48Å; I455-F478 HydrophobicContact CD1-CB 4.35Å; I455-F478 HydrophobicContact CD1-CD1 3.75Å; I455-F478 HydrophobicContact CD1-CD2 3.84Å; I455-F478 HydrophobicContact CD1-CE1 3.89Å; I455-F478 HydrophobicContact CD1-CE2 3.98Å; I455-F478 HydrophobicContact CD1-CG 3.74Å; I455-F478 HydrophobicContact CD1-CZ 4.02Å
456	C	90.9	Very high	90.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.078	C	C	.	.	S	Bend	trans	-110	147.8	-173.3	-66.6	0	0	0	0	111.4	N362 F452 M461	N362-C456 PolarHBondContact ND2-O 3.34Å; F452-C456 PolarHBondContact O-N 3.4Å; F452-C456 VanDerWaalsContact O-N 3.11Å; C456-M461 HydrophobicContact CB-CG 3.57Å; C456-M461 HydrophobicContact CB-SD 3.81Å
457	D	90.1	Very high	90.2	Very high	18 Å²	18	14.2 Å²	14.2	10%	0.096	8%	0.077	C	C	.	.			trans	-71.4	139.5	168.4	-170.4	43.4	0	0	0	111.1	F348 A350 K358 S459 V460 M461	F348-D457 HydrophobicContact CE2-CB 4.17Å; F348-D457 WeakPolarHBondContact CE2-OD2 3.12Å; A350-D457 PolarHBondContact O-N 3.08Å; A350-D457 VanDerWaalsContact O-N 3.08Å; K358-D457 VanDerWaalsContact CE-OD1 3.3Å; K358-D457 WeakPolarHBondContact CE-OD1 3.47Å; K358-D457 IonicContact NZ-OD1 2.8Å; K358-D457 PolarHBondContact NZ-OD1 3.1Å; D457-S459 PolarHBondContact O-N 3.26Å; D457-S459 PolarHBondContact OD2-OG 3.36Å; D457-V460 HydrophobicContact CB-CG2 4.29Å; D457-V460 WeakPolarHBondContact O-CB 3.36Å; D457-V460 PolarHBondContact O-N 3.05Å; D457-M461 PolarHBondContact O-N 3.45Å; D457-M461 VanDerWaalsContact O-N 3.13Å
458	G	88.7	Confident	89.9	Confident	2 Å²	2	12.4 Å²	12.4	2%	0.021	7%	0.065	C	C	.	.	H	α-helix	trans	-61.6	-31.3	-174	0	0	0	0	0	113.6	N362 M461 R462	N362-G458 WeakPolarHBondContact OD1-CA 3.37Å; N362-G458 PolarHBondContact OD1-N 3.4Å; G458-M461 PolarHBondContact O-N 3.14Å; G458-R462 WeakPolarHBondContact O-CG 3.42Å; G458-R462 PolarHBondContact O-N 2.9Å; G458-R462 PolarHBondContact O-NE 3.29Å
459	S	88.2	Confident	89.7	Confident	21 Å²	21	12.6 Å²	12.6	15%	0.147	7%	0.065	C	C	.	.	H	α-helix	trans	-61.1	-44.4	174.6	67.2	0	0	0	0	111.7	L299 D457 R462	L299-S459 VanDerWaalsContact CD1-C 3.41Å; L299-S459 WeakPolarHBondContact CD1-O 3.34Å; D457-S459 PolarHBondContact O-N 3.26Å; D457-S459 PolarHBondContact OD2-OG 3.36Å; S459-R462 PolarHBondContact O-N 3.15Å
460	V	91.3	Very high	89.2	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-69.7	-34.7	179.9	-179.9	0	0	0	0	111.3	V292 L299 A350 D457 R462 D463 Y469 L474	V292-V460 HydrophobicContact CG1-CG2 4.31Å; V292-V460 HydrophobicContact CG2-CG2 4.14Å; L299-V460 HydrophobicContact CD1-CG2 4.22Å; A350-V460 HydrophobicContact CB-CG1 4.17Å; A350-V460 HydrophobicContact CB-CG2 4Å; D457-V460 HydrophobicContact CB-CG2 4.29Å; D457-V460 WeakPolarHBondContact O-CB 3.36Å; D457-V460 PolarHBondContact O-N 3.05Å; V460-R462 VanDerWaalsContact C-N 3.25Å; V460-R462 PolarHBondContact O-N 3.22Å; V460-D463 WeakPolarHBondContact O-CB 3.24Å; V460-D463 PolarHBondContact O-N 3.47Å; V460-Y469 HydrophobicContact CG1-CD1 3.56Å; V460-Y469 HydrophobicContact CG1-CE1 3.44Å; V460-Y469 VanDerWaalsContact CG1-CE1 3.44Å; V460-L474 HydrophobicContact CG1-CD1 4.13Å
461	M	91.2	Very high	88.7	Confident	2 Å²	2	13.3 Å²	13.3	1%	0.01	9%	0.085	C	C	.	.	H	α-helix	trans	-66.6	-28	176.8	-64.9	179.9	66.9	0	0	112.6	G131 W132 T134 F452 C456 D457 G458 D463 L474	G131-M461 WeakPolarHBondContact O-CE 3.3Å; W132-M461 VanDerWaalsContact CA-O 3.3Å; W132-M461 WeakPolarHBondContact CA-O 3.43Å; T134-M461 VanDerWaalsContact CB-CE 3.42Å; T134-M461 HydrophobicContact CG2-CE 3.43Å; T134-M461 VanDerWaalsContact CG2-CE 3.43Å; F452-M461 HydrophobicContact CB-CE 3.91Å; C456-M461 HydrophobicContact CB-CG 3.57Å; C456-M461 HydrophobicContact CB-SD 3.81Å; D457-M461 PolarHBondContact O-N 3.45Å; D457-M461 VanDerWaalsContact O-N 3.13Å; G458-M461 PolarHBondContact O-N 3.14Å; M461-D463 VanDerWaalsContact C-N 3.28Å; M461-L474 HydrophobicContact CG-CD2 4.35Å
462	R	90.2	Very high	88.5	Confident	33 Å²	33	14 Å²	14	13%	0.125	9%	0.088	C	C	.	.	H	α-helix	trans	-75.5	-19	177.4	-66.6	164.2	-160.1	153.6	11	112.6	G135 V136 H367 Y375 G458 S459 V460 K464	G135-R462 VanDerWaalsContact O-CG 3.26Å; G135-R462 WeakPolarHBondContact O-CG 3.22Å; G135-R462 PolarHBondContact O-NE 3.23Å; V136-R462 HydrophobicContact CG2-CG 4.44Å; H367-R462 PolarHBondContact CD2-NH2 2.97Å; H367-R462 VanDerWaalsContact NE2-CZ 3.28Å; H367-R462 PolarHBondContact NE2-NH1 3.19Å; H367-R462 PolarHBondContact NE2-NH2 3.36Å; Y375-R462 HydrophobicContact CD2-CB 3.89Å; Y375-R462 HydrophobicContact CE2-CB 3.93Å; Y375-R462 HydrophobicContact CG-CB 4.38Å; G458-R462 WeakPolarHBondContact O-CG 3.42Å; G458-R462 PolarHBondContact O-N 2.9Å; G458-R462 PolarHBondContact O-NE 3.29Å; S459-R462 PolarHBondContact O-N 3.15Å; V460-R462 VanDerWaalsContact C-N 3.25Å; V460-R462 PolarHBondContact O-N 3.22Å; R462-K464 PolarHBondContact O-N 2.97Å; R462-K464 VanDerWaalsContact O-N 3.08Å
463	D	88.6	Confident	88.3	Confident	8 Å²	8	14.2 Å²	14.2	4%	0.043	9%	0.089	C	C	.	.			trans	-74	96.6	172.7	-178.3	-1.2	0	0	0	110.4	P390 V460 M461 F465 G466 E467 S468	P390-D463 HydrophobicContact CB-CB 4.2Å; V460-D463 WeakPolarHBondContact O-CB 3.24Å; V460-D463 PolarHBondContact O-N 3.47Å; M461-D463 VanDerWaalsContact C-N 3.28Å; D463-F465 VanDerWaalsContact C-N 3.32Å; D463-F465 PolarHBondContact O-N 2.83Å; D463-F465 PolarHBondContact OD1-N 3.32Å; D463-G466 PolarHBondContact OD1-N 2.62Å; D463-G466 WeakPolarHBondContact OD2-CA 3.11Å; D463-E467 PolarHBondContact OD1-N 3.16Å; D463-E467 PolarHBondContact OD2-N 3.48Å; D463-S468 WeakPolarHBondContact OD2-CB 3.31Å; D463-S468 PolarHBondContact OD2-N 2.97Å; D463-S468 PolarHBondContact OD2-OG 3.31Å
464	K	86	Confident	88.2	Confident	20 Å²	20	14.9 Å²	14.9	9%	0.087	9%	0.093	C	C	.	.	S	Bend	trans	-60.2	-37.9	-176.7	-179.6	-177.9	176	-178.6	0	113.3	W132 D394 R462 D554	W132-K464 HydrophobicContact CG-CB 4.28Å; W132-K464 HydrophobicContact CG-CG 4.44Å; D394-K464 HydrophobicContact CB-CD 4.35Å; D394-K464 IonicContact OD2-NZ 3.17Å; D394-K464 PolarHBondContact OD2-NZ 3.32Å; R462-K464 PolarHBondContact O-N 2.97Å; R462-K464 VanDerWaalsContact O-N 3.08Å; K464-D554 IonicContact NZ-OD2 3.7Å; K464-D554 PolarHBondContact NZ-OD2 3.08Å
465	F	85.8	Confident	88.2	Confident	19 Å²	19	14.4 Å²	14.4	8%	0.083	9%	0.088	C	C	.	.	S	Bend	trans	-102.8	-10.6	-172.8	-62.1	-62.6	0	0	0	113.3	Y216 L233 D463 E467	Y216-F465 WeakPolarHBondContact CE1-O 3.29Å; L233-F465 HydrophobicContact CD2-CZ 4.45Å; D463-F465 VanDerWaalsContact C-N 3.32Å; D463-F465 PolarHBondContact O-N 2.83Å; D463-F465 PolarHBondContact OD1-N 3.32Å; F465-E467 HydrophobicContact CB-CG 4.33Å
466	G	87	Confident	88.1	Confident	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.089	C	C	.	.			trans	78	25.1	178.8	0	0	0	0	0	113.8	D463 S468 Y469 G470 G471	D463-G466 PolarHBondContact OD1-N 2.62Å; D463-G466 WeakPolarHBondContact OD2-CA 3.11Å; G466-S468 PolarHBondContact O-N 3.06Å; G466-Y469 VanDerWaalsContact CA-CE1 3.45Å; G466-Y469 WeakPolarHBondContact CA-OH 3.38Å; G466-Y469 PolarHBondContact O-N 3.33Å; G466-G470 PolarHBondContact O-N 3.47Å; G466-G471 VanDerWaalsContact O-CA 3.3Å; G466-G471 WeakPolarHBondContact O-CA 3.39Å; G466-G471 PolarHBondContact O-N 3.22Å
467	E	86.4	Confident	88	Confident	30 Å²	30	15.6 Å²	15.6	14%	0.14	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-59.4	-30.6	-179.9	-71.8	179.7	-172.9	0	0	112.3	Q302 P390 D463 F465 Y469	Q302-E467 PolarHBondContact N-O 2.86Å; P390-E467 HydrophobicContact CG-CB 3.95Å; D463-E467 PolarHBondContact OD1-N 3.16Å; D463-E467 PolarHBondContact OD2-N 3.48Å; F465-E467 HydrophobicContact CB-CG 4.33Å; E467-Y469 PolarHBondContact O-N 3.32Å
468	S	87.6	Confident	88	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-71.5	-22.8	-179.6	54.8	0	0	0	0	114.8	V292 D463 G466	V292-S468 WeakPolarHBondContact CG1-O 3.28Å; D463-S468 WeakPolarHBondContact OD2-CB 3.31Å; D463-S468 PolarHBondContact OD2-N 2.97Å; D463-S468 PolarHBondContact OD2-OG 3.31Å; G466-S468 PolarHBondContact O-N 3.06Å
469	Y	87.5	Confident	88	Confident	8 Å²	8	14.9 Å²	14.9	3%	0.031	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-127	31.9	-175.7	54.4	-88.4	0	0	0	113.4	P290 V460 G466 E467 I472 L474 A477	P290-Y469 HydrophobicContact CG-CD2 4.34Å; P290-Y469 HydrophobicContact CG-CG 4.36Å; V460-Y469 HydrophobicContact CG1-CD1 3.56Å; V460-Y469 HydrophobicContact CG1-CE1 3.44Å; V460-Y469 VanDerWaalsContact CG1-CE1 3.44Å; G466-Y469 VanDerWaalsContact CA-CE1 3.45Å; G466-Y469 WeakPolarHBondContact CA-OH 3.38Å; G466-Y469 PolarHBondContact O-N 3.33Å; E467-Y469 PolarHBondContact O-N 3.32Å; Y469-I472 HydrophobicContact CD2-CB 4.46Å; Y469-I472 HydrophobicContact CE2-CB 4.33Å; Y469-I472 WeakPolarHBondContact CE2-O 3.24Å; Y469-I472 PolarHBondContact OH-O 2.9Å; Y469-L474 HydrophobicContact CE1-CD1 4.43Å; Y469-L474 WeakPolarHBondContact OH-CA 3.46Å; Y469-L474 WeakPolarHBondContact OH-CB 3.46Å; Y469-L474 PolarHBondContact OH-N 3.29Å; Y469-A477 HydrophobicContact CD2-CB 4.32Å; Y469-A477 HydrophobicContact CE2-CB 4.07Å
470	G	80.9	Confident	88	Confident	37 Å²	37	19.3 Å²	19.3	38%	0.381	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.6	24.4	170.4	0	0	0	0	0	115.1	G466 I472	G466-G470 PolarHBondContact O-N 3.47Å; G470-I472 PolarHBondContact O-N 2.9Å
471	G	83.7	Confident	87.8	Confident	30 Å²	30	22.7 Å²	22.7	31%	0.309	13%	0.13	S	C	.	.	S	Bend	trans	67.6	36.5	172.1	0	0	0	0	0	113.4	Y216 G466	Y216-G471 VanDerWaalsContact CD1-O 3.24Å; Y216-G471 WeakPolarHBondContact CD1-O 3.5Å; G466-G471 VanDerWaalsContact O-CA 3.3Å; G466-G471 WeakPolarHBondContact O-CA 3.39Å; G466-G471 PolarHBondContact O-N 3.22Å
472	I	86.7	Confident	87.7	Confident	52 Å²	52	26.5 Å²	26.5	27%	0.267	15%	0.147	S	C	.	.			trans	-104.1	147.6	176.8	-57.5	171.8	0	0	0	108.8	Y469 G470 L474 A476 A477	Y469-I472 HydrophobicContact CD2-CB 4.46Å; Y469-I472 HydrophobicContact CE2-CB 4.33Å; Y469-I472 WeakPolarHBondContact CE2-O 3.24Å; Y469-I472 PolarHBondContact OH-O 2.9Å; G470-I472 PolarHBondContact O-N 2.9Å; I472-L474 PolarHBondContact O-N 2.98Å; I472-A476 HydrophobicContact CG2-CB 4.12Å; I472-A477 HydrophobicContact CG2-CB 4.14Å
473	L	88.8	Confident	87.5	Confident	6 Å²	6	28.3 Å²	28.3	3%	0.031	16%	0.156	C	C	.	.			trans	-62	129.7	171.9	-176.2	72.1	0	0	0	110.3	F127 V128 Y216 V475 A476 A477 I486	F127-L473 HydrophobicContact CB-CD2 4.23Å; V128-L473 HydrophobicContact CG2-CD1 4.08Å; Y216-L473 HydrophobicContact CD1-CB 4.3Å; Y216-L473 HydrophobicContact CD2-CB 4.23Å; Y216-L473 HydrophobicContact CE1-CB 4.11Å; Y216-L473 VanDerWaalsContact CE1-N 3.33Å; Y216-L473 HydrophobicContact CE2-CB 4.07Å; Y216-L473 HydrophobicContact CE2-CD1 3.7Å; Y216-L473 HydrophobicContact CE2-CG 4.45Å; Y216-L473 HydrophobicContact CG-CB 4.37Å; L473-V475 VanDerWaalsContact C-N 3.27Å; L473-V475 PolarHBondContact O-N 3.28Å; L473-V475 VanDerWaalsContact O-N 3.12Å; L473-A476 HydrophobicContact CB-CB 3.97Å; L473-A476 WeakPolarHBondContact O-CA 3.37Å; L473-A476 WeakPolarHBondContact O-CB 2.84Å; L473-A476 PolarHBondContact O-N 2.87Å; L473-A477 PolarHBondContact O-N 3.48Å; L473-I486 HydrophobicContact CD2-CG2 4.3Å
474	L	89.8	Confident	87.6	Confident	14 Å²	14	33 Å²	33	7%	0.073	17%	0.173	C	C	.	.	H	α-helix	trans	-47	-48.9	-176.8	-175.4	73.6	0	0	0	113.1	M351 V460 M461 Y469 I472 A476 A477 F478	M351-L474 HydrophobicContact CE-CD1 3.86Å; V460-L474 HydrophobicContact CG1-CD1 4.13Å; M461-L474 HydrophobicContact CG-CD2 4.35Å; Y469-L474 HydrophobicContact CE1-CD1 4.43Å; Y469-L474 WeakPolarHBondContact OH-CA 3.46Å; Y469-L474 WeakPolarHBondContact OH-CB 3.46Å; Y469-L474 PolarHBondContact OH-N 3.29Å; I472-L474 PolarHBondContact O-N 2.98Å; L474-A476 VanDerWaalsContact C-N 3.28Å; L474-A476 PolarHBondContact O-N 3.47Å; L474-A477 PolarHBondContact O-N 2.72Å; L474-F478 WeakPolarHBondContact O-CD1 3.46Å; L474-F478 VanDerWaalsContact O-CE1 3.31Å; L474-F478 WeakPolarHBondContact O-CE1 3.25Å
475	V	90.8	Very high	87.8	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.012	18%	0.183	C	C	.	.	H	α-helix	trans	-68.4	-27.3	-178.5	179.8	0	0	0	0	112.5	F127 V277 F452 L473 F478 I486	F127-V475 HydrophobicContact CD1-CG1 4.22Å; F127-V475 WeakPolarHBondContact O-CG2 3.43Å; V277-V475 HydrophobicContact CB-CG1 4.28Å; V277-V475 HydrophobicContact CG1-CG1 3.95Å; V277-V475 HydrophobicContact CG2-CG1 3.25Å; F452-V475 HydrophobicContact CE2-CG2 3.94Å; F452-V475 HydrophobicContact CZ-CG2 3.99Å; L473-V475 VanDerWaalsContact C-N 3.27Å; L473-V475 PolarHBondContact O-N 3.28Å; L473-V475 VanDerWaalsContact O-N 3.12Å; V475-F478 HydrophobicContact CB-CZ 4.35Å; V475-F478 HydrophobicContact CG1-CZ 4.22Å; V475-F478 HydrophobicContact CG2-CZ 4.43Å; V475-I486 HydrophobicContact CG1-CG2 4.39Å
476	A	90.1	Very high	88.1	Confident	2 Å²	2	33.4 Å²	33.4	2%	0.017	18%	0.179	C	C	.	.	H	α-helix	trans	-77.9	-31.8	175.3	0	0	0	0	0	112	I472 L473 L474 F478 A479 F483 I486	I472-A476 HydrophobicContact CG2-CB 4.12Å; L473-A476 HydrophobicContact CB-CB 3.97Å; L473-A476 WeakPolarHBondContact O-CA 3.37Å; L473-A476 WeakPolarHBondContact O-CB 2.84Å; L473-A476 PolarHBondContact O-N 2.87Å; L474-A476 VanDerWaalsContact C-N 3.28Å; L474-A476 PolarHBondContact O-N 3.47Å; A476-F478 VanDerWaalsContact C-N 3.32Å; A476-F478 PolarHBondContact O-N 3.45Å; A476-A479 PolarHBondContact O-N 2.92Å; A476-F483 HydrophobicContact CB-CB 4.14Å; A476-F483 WeakPolarHBondContact O-CA 3.44Å; A476-F483 WeakPolarHBondContact O-CB 3.44Å; A476-I486 HydrophobicContact CB-CB 3.92Å; A476-I486 HydrophobicContact CB-CG2 4.11Å
477	A	88.6	Confident	88.3	Confident	23 Å²	23	33.7 Å²	33.7	19%	0.19	18%	0.181	C	C	.	.	H	α-helix	trans	-63.4	-33.4	-175.7	0	0	0	0	0	113.5	M351 Y469 I472 L473 L474	M351-A477 HydrophobicContact CE-CB 3.53Å; M351-A477 HydrophobicContact SD-CB 4.38Å; Y469-A477 HydrophobicContact CD2-CB 4.32Å; Y469-A477 HydrophobicContact CE2-CB 4.07Å; I472-A477 HydrophobicContact CG2-CB 4.14Å; L473-A477 PolarHBondContact O-N 3.48Å; L474-A477 PolarHBondContact O-N 2.72Å
478	F	89.5	Confident	88.4	Confident	4 Å²	4	36.7 Å²	36.7	2%	0.018	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-0.9	174.3	58.7	-97.4	0	0	0	115.1	V277 G280 V281 V284 M351 F452 I455 L474 V475 A476	V277-F478 HydrophobicContact CG1-CE2 3.79Å; V277-F478 HydrophobicContact CG1-CZ 4.2Å; G280-F478 WeakPolarHBondContact CA-O 3.03Å; V281-F478 HydrophobicContact CG2-CD2 4.32Å; V281-F478 HydrophobicContact CG2-CE2 3.86Å; V284-F478 HydrophobicContact CG2-CB 3.36Å; V284-F478 HydrophobicContact CG2-CG 4.38Å; M351-F478 HydrophobicContact CE-CD1 4.14Å; M351-F478 HydrophobicContact SD-CB 3.68Å; M351-F478 HydrophobicContact SD-CD1 3.95Å; M351-F478 HydrophobicContact SD-CG 4.31Å; F452-F478 HydrophobicContact CD1-CE1 4.42Å; F452-F478 HydrophobicContact CD1-CE2 4.47Å; F452-F478 AromaticContact CD1-CZ 3.74Å; F452-F478 HydrophobicContact CD1-CZ 3.74Å; F452-F478 HydrophobicContact CE1-CE1 4.42Å; F452-F478 HydrophobicContact CE1-CE2 4.02Å; F452-F478 AromaticContact CE1-CZ 3.41Å; F452-F478 HydrophobicContact CE1-CZ 3.41Å; F452-F478 VanDerWaalsContact CE1-CZ 3.41Å; F452-F478 AromaticContact CZ-CZ 3.98Å; F452-F478 HydrophobicContact CZ-CZ 3.98Å; I455-F478 HydrophobicContact CD1-CB 4.35Å; I455-F478 HydrophobicContact CD1-CD1 3.75Å; I455-F478 HydrophobicContact CD1-CD2 3.84Å; I455-F478 HydrophobicContact CD1-CE1 3.89Å; I455-F478 HydrophobicContact CD1-CE2 3.98Å; I455-F478 HydrophobicContact CD1-CG 3.74Å; I455-F478 HydrophobicContact CD1-CZ 4.02Å; L474-F478 WeakPolarHBondContact O-CD1 3.46Å; L474-F478 VanDerWaalsContact O-CE1 3.31Å; L474-F478 WeakPolarHBondContact O-CE1 3.25Å; V475-F478 HydrophobicContact CB-CZ 4.35Å; V475-F478 HydrophobicContact CG1-CZ 4.22Å; V475-F478 HydrophobicContact CG2-CZ 4.43Å; A476-F478 VanDerWaalsContact C-N 3.32Å; A476-F478 PolarHBondContact O-N 3.45Å
479	A	89.2	Confident	88.5	Confident	2 Å²	2	36.9 Å²	36.9	2%	0.017	20%	0.199	C	C	.	.			trans	-67.9	140.7	-174.7	0	0	0	0	0	112.8	R288 A476 I486	R288-A479 PolarHBondContact NH2-O 2.77Å; A476-A479 PolarHBondContact O-N 2.92Å; A479-I486 HydrophobicContact CB-CD1 4.07Å; A479-I486 HydrophobicContact CB-CG1 3.37Å
480	W	88	Confident	88.6	Confident	114 Å²	114	36.5 Å²	36.5	43%	0.432	20%	0.197	S	C	.	.	S	Bend	trans	-115.4	134.5	175.4	-168.7	95.7	0	0	0	110.2	C276 L279	C276-W480 WeakPolarHBondContact CA-O 3.38Å; C276-W480 VanDerWaalsContact CB-O 3.28Å; C276-W480 WeakPolarHBondContact CB-O 3.38Å; C276-W480 PolarHBondContact O-N 3.4Å; C276-W480 PolarHBondContact SG-O 2.97Å; L279-W480 HydrophobicContact CB-CE3 4.44Å; L279-W480 HydrophobicContact CD1-CE3 4.22Å; L279-W480 HydrophobicContact CD1-CZ3 4.47Å
481	P	86.8	Confident	89	Confident	70 Å²	70	35.6 Å²	35.6	46%	0.455	19%	0.185	S	C	.	.	S	Bend	cis	-83.9	-27.4	11.6	30.9	-35	0	0	0	115.2	R288	R288-P481 PolarHBondContact NH2-O 2.78Å
482	H	89.3	Confident	89.2	Confident	83 Å²	83	36.9 Å²	36.9	38%	0.384	18%	0.184	S	C	.	.			trans	-146.9	141.8	-172.5	-162.2	-70.7	0	0	0	112.6	W484 V485	H482-W484 AromaticContact CE1-CD1 3.02Å; H482-W484 AromaticContact CE1-CG 3.78Å; H482-W484 AromaticContact CE1-NE1 3.77Å; H482-W484 AromaticContact ND1-CD1 3.39Å; H482-W484 AromaticContact ND1-CG 3.74Å; H482-W484 PolarHBondContact ND1-N 3.38Å; H482-W484 VanDerWaalsContact ND1-N 3.16Å; H482-W484 PolarHBondContact O-N 2.85Å; H482-V485 HydrophobicContact CB-CG2 4.43Å; H482-V485 WeakPolarHBondContact O-CB 3.43Å; H482-V485 WeakPolarHBondContact O-CG2 3.26Å; H482-V485 PolarHBondContact O-N 3.29Å
483	F	87.5	Confident	89.3	Confident	70 Å²	70	34.6 Å²	34.6	31%	0.307	17%	0.173	S	C	.	.	H	α-helix	trans	-61.8	-37.4	-177.2	66.7	-95.6	0	0	0	113.9	A476 V485 I486 L487	A476-F483 HydrophobicContact CB-CB 4.14Å; A476-F483 WeakPolarHBondContact O-CA 3.44Å; A476-F483 WeakPolarHBondContact O-CB 3.44Å; F483-V485 PolarHBondContact O-N 2.83Å; F483-I486 PolarHBondContact O-N 2.72Å; F483-L487 PolarHBondContact O-N 3.46Å
484	W	89.8	Confident	89.3	Confident	107 Å²	107	34.3 Å²	34.3	41%	0.405	17%	0.172	S	C	.	.	H	α-helix	trans	-50.8	-28.8	173.7	-75.6	125.9	0	0	0	114.6	I217 H482 I486 L487 I488	I217-W484 HydrophobicContact CG2-CZ3 4.14Å; H482-W484 AromaticContact CE1-CD1 3.02Å; H482-W484 AromaticContact CE1-CG 3.78Å; H482-W484 AromaticContact CE1-NE1 3.77Å; H482-W484 AromaticContact ND1-CD1 3.39Å; H482-W484 AromaticContact ND1-CG 3.74Å; H482-W484 PolarHBondContact ND1-N 3.38Å; H482-W484 VanDerWaalsContact ND1-N 3.16Å; H482-W484 PolarHBondContact O-N 2.85Å; W484-I486 VanDerWaalsContact C-N 3.33Å; W484-I486 PolarHBondContact O-N 3.38Å; W484-L487 HydrophobicContact CE3-CB 4.3Å; W484-L487 HydrophobicContact CE3-CD2 3.56Å; W484-L487 HydrophobicContact CE3-CG 4.13Å; W484-L487 HydrophobicContact CH2-CD2 4.17Å; W484-L487 HydrophobicContact CZ3-CD2 3.36Å; W484-L487 HydrophobicContact CZ3-CG 4.17Å; W484-L487 PolarHBondContact O-N 3.04Å; W484-I488 WeakPolarHBondContact O-CB 3.34Å; W484-I488 WeakPolarHBondContact O-CG1 3.38Å; W484-I488 PolarHBondContact O-N 3.39Å
485	V	91.2	Very high	89.3	Confident	47 Å²	47	35.3 Å²	35.3	29%	0.285	18%	0.177	S	C	.	.	H	α-helix	trans	-63.2	-41.7	178.8	179.6	0	0	0	0	110.9	I272 H482 F483 G489	I272-V485 HydrophobicContact CG2-CG1 4.18Å; H482-V485 HydrophobicContact CB-CG2 4.43Å; H482-V485 WeakPolarHBondContact O-CB 3.43Å; H482-V485 WeakPolarHBondContact O-CG2 3.26Å; H482-V485 PolarHBondContact O-N 3.29Å; F483-V485 PolarHBondContact O-N 2.83Å; V485-G489 WeakPolarHBondContact O-CA 3.4Å; V485-G489 PolarHBondContact O-N 3.13Å
486	I	91.4	Very high	89.1	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-72.9	-37.9	177.4	-56.4	-52.2	0	0	0	110.7	F127 S273 C276 V277 L473 V475 A476 A479 F483 W484 G489 S490	F127-I486 HydrophobicContact CD1-CG2 4.14Å; S273-I486 VanDerWaalsContact O-CD1 3.22Å; S273-I486 WeakPolarHBondContact O-CD1 3.44Å; C276-I486 HydrophobicContact CB-CD1 3.94Å; V277-I486 HydrophobicContact CG2-CD1 3.74Å; V277-I486 HydrophobicContact CG2-CG1 4.37Å; L473-I486 HydrophobicContact CD2-CG2 4.3Å; V475-I486 HydrophobicContact CG1-CG2 4.39Å; A476-I486 HydrophobicContact CB-CB 3.92Å; A476-I486 HydrophobicContact CB-CG2 4.11Å; A479-I486 HydrophobicContact CB-CD1 4.07Å; A479-I486 HydrophobicContact CB-CG1 3.37Å; F483-I486 PolarHBondContact O-N 2.72Å; W484-I486 VanDerWaalsContact C-N 3.33Å; W484-I486 PolarHBondContact O-N 3.38Å; I486-G489 PolarHBondContact O-N 3.44Å; I486-S490 WeakPolarHBondContact O-CB 3.33Å; I486-S490 PolarHBondContact O-N 3.06Å; I486-S490 PolarHBondContact O-OG 3.02Å
487	L	90	Very high	89	Confident	7 Å²	7	35.4 Å²	35.4	4%	0.037	18%	0.177	C	C	.	.	H	α-helix	trans	-65.7	-48.9	-178.3	-176.3	47.7	0	0	0	111.8	V212 Y216 I217 F483 W484 S490 C491	V212-L487 HydrophobicContact CG1-CD1 3.33Å; Y216-L487 HydrophobicContact CG-CD1 4.42Å; Y216-L487 WeakPolarHBondContact O-CD2 3.28Å; I217-L487 HydrophobicContact CD1-CD1 4.05Å; I217-L487 HydrophobicContact CD1-CG 4.06Å; I217-L487 HydrophobicContact CG1-CD1 3.58Å; I217-L487 HydrophobicContact CG1-CD2 3.79Å; I217-L487 HydrophobicContact CG1-CG 3.61Å; F483-L487 PolarHBondContact O-N 3.46Å; W484-L487 HydrophobicContact CE3-CB 4.3Å; W484-L487 HydrophobicContact CE3-CD2 3.56Å; W484-L487 HydrophobicContact CE3-CG 4.13Å; W484-L487 HydrophobicContact CH2-CD2 4.17Å; W484-L487 HydrophobicContact CZ3-CD2 3.36Å; W484-L487 HydrophobicContact CZ3-CG 4.17Å; W484-L487 PolarHBondContact O-N 3.04Å; L487-S490 PolarHBondContact O-OG 3.44Å; L487-S490 VanDerWaalsContact O-OG 3.11Å; L487-C491 WeakPolarHBondContact O-CB 3.46Å; L487-C491 PolarHBondContact O-N 3.41Å
488	I	89.8	Confident	89	Confident	92 Å²	92	34.3 Å²	34.3	47%	0.472	17%	0.168	S	C	.	.	H	α-helix	trans	-68	-43.4	174.7	-63.8	170.1	0	0	0	110.4	W484 C491 L492	W484-I488 WeakPolarHBondContact O-CB 3.34Å; W484-I488 WeakPolarHBondContact O-CG1 3.38Å; W484-I488 PolarHBondContact O-N 3.39Å; I488-C491 PolarHBondContact O-N 2.89Å; I488-L492 HydrophobicContact CG2-CD1 3.78Å; I488-L492 HydrophobicContact CG2-CG 4.2Å; I488-L492 WeakPolarHBondContact O-CB 3.31Å; I488-L492 WeakPolarHBondContact O-CG 3.43Å; I488-L492 PolarHBondContact O-N 3.03Å
489	G	89.4	Confident	88.9	Confident	5 Å²	5	34.4 Å²	34.4	5%	0.052	17%	0.169	C	C	.	.	H	α-helix	trans	-63.7	-43.1	-178	0	0	0	0	0	113.5	V485 I486 S493	V485-G489 WeakPolarHBondContact O-CA 3.4Å; V485-G489 PolarHBondContact O-N 3.13Å; I486-G489 PolarHBondContact O-N 3.44Å; G489-S493 WeakPolarHBondContact O-CB 3.25Å; G489-S493 PolarHBondContact O-N 3.16Å
490	S	88.9	Confident	88.6	Confident	0 Å²	0	35 Å²	35	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66.5	-39.4	174.9	61.7	0	0	0	0	112.1	I486 L487 T494	I486-S490 WeakPolarHBondContact O-CB 3.33Å; I486-S490 PolarHBondContact O-N 3.06Å; I486-S490 PolarHBondContact O-OG 3.02Å; L487-S490 PolarHBondContact O-OG 3.44Å; L487-S490 VanDerWaalsContact O-OG 3.11Å; S490-T494 WeakPolarHBondContact O-CB 3.25Å; S490-T494 WeakPolarHBondContact O-CG2 3.25Å; S490-T494 PolarHBondContact O-N 3.4Å; S490-T494 VanDerWaalsContact O-N 3.07Å; S490-T494 PolarHBondContact O-OG1 2.99Å
491	C	89.6	Confident	88.6	Confident	18 Å²	18	30 Å²	30	12%	0.122	15%	0.154	C	C	.	.	H	α-helix	trans	-64	-48.2	174.6	-170.4	0	0	0	0	111.9	L487 I488 S493 T494 I495	L487-C491 WeakPolarHBondContact O-CB 3.46Å; L487-C491 PolarHBondContact O-N 3.41Å; I488-C491 PolarHBondContact O-N 2.89Å; C491-S493 PolarHBondContact O-N 3.22Å; C491-T494 PolarHBondContact O-N 3.44Å; C491-T494 PolarHBondContact O-OG1 3.39Å; C491-I495 WeakPolarHBondContact O-CG1 3.49Å; C491-I495 PolarHBondContact O-N 3.46Å
492	L	88.5	Confident	88.7	Confident	56 Å²	56	26.7 Å²	26.7	29%	0.293	13%	0.132	S	C	.	.	H	α-helix	trans	-65.5	-38.7	177.9	-71.1	177.1	0	0	0	112.8	F262 A269 I488 G496	F262-L492 HydrophobicContact CZ-CD2 4.08Å; A269-L492 HydrophobicContact CB-CB 4.42Å; I488-L492 HydrophobicContact CG2-CD1 3.78Å; I488-L492 HydrophobicContact CG2-CG 4.2Å; I488-L492 WeakPolarHBondContact O-CB 3.31Å; I488-L492 WeakPolarHBondContact O-CG 3.43Å; I488-L492 PolarHBondContact O-N 3.03Å; L492-G496 PolarHBondContact O-N 3.41Å
493	S	87.8	Confident	88.5	Confident	5 Å²	5	22.9 Å²	22.9	4%	0.035	12%	0.115	C	C	.	.	H	α-helix	trans	-56.9	-49.1	174.5	169.4	0	0	0	0	111.5	V270 G489 C491 G496 A497	V270-S493 WeakPolarHBondContact CG2-OG 3.47Å; G489-S493 WeakPolarHBondContact O-CB 3.25Å; G489-S493 PolarHBondContact O-N 3.16Å; C491-S493 PolarHBondContact O-N 3.22Å; S493-G496 PolarHBondContact O-N 2.8Å; S493-A497 PolarHBondContact O-N 3.15Å
494	T	89	Confident	88.2	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-72.8	-39.3	-174	49.8	0	0	0	0	112.3	I124 Y205 A209 S490 C491 G496 A497 G498	I124-T494 HydrophobicContact CB-CG2 3.45Å; I124-T494 VanDerWaalsContact CB-CG2 3.45Å; I124-T494 HydrophobicContact CD1-CG2 3.88Å; I124-T494 HydrophobicContact CG1-CG2 3.74Å; Y205-T494 WeakPolarHBondContact CB-O 3.48Å; A209-T494 WeakPolarHBondContact CB-OG1 3.3Å; S490-T494 WeakPolarHBondContact O-CB 3.25Å; S490-T494 WeakPolarHBondContact O-CG2 3.25Å; S490-T494 PolarHBondContact O-N 3.4Å; S490-T494 VanDerWaalsContact O-N 3.07Å; S490-T494 PolarHBondContact O-OG1 2.99Å; C491-T494 PolarHBondContact O-N 3.44Å; C491-T494 PolarHBondContact O-OG1 3.39Å; T494-G496 VanDerWaalsContact C-N 3.3Å; T494-G496 PolarHBondContact O-N 3.49Å; T494-A497 PolarHBondContact O-N 3Å; T494-G498 PolarHBondContact O-N 3.07Å
495	I	89.8	Confident	88.2	Confident	35 Å²	35	14.6 Å²	14.6	18%	0.179	8%	0.083	C	C	.	.	H	α-helix	trans	-61.6	-41.5	169.6	-65.5	169.2	0	0	0	110.4	A209 F262 C491 G498 L499	A209-I495 HydrophobicContact CB-CG1 3.93Å; F262-I495 HydrophobicContact CE1-CG2 4.25Å; F262-I495 HydrophobicContact CZ-CG2 4.43Å; C491-I495 WeakPolarHBondContact O-CG1 3.49Å; C491-I495 PolarHBondContact O-N 3.46Å; I495-G498 PolarHBondContact O-N 3.26Å; I495-L499 HydrophobicContact CG2-CD1 3.94Å; I495-L499 HydrophobicContact CG2-CG 4.46Å; I495-L499 WeakPolarHBondContact O-CB 3.33Å; I495-L499 WeakPolarHBondContact O-CG 3.38Å; I495-L499 PolarHBondContact O-N 3.37Å
496	G	86.9	Confident	88.1	Confident	2 Å²	2	12.4 Å²	12.4	2%	0.021	7%	0.069	C	C	.	.	H	α-helix	trans	-61.4	-47.8	176.5	0	0	0	0	0	113.4	L492 S493 T494 L499 Q500	L492-G496 PolarHBondContact O-N 3.41Å; S493-G496 PolarHBondContact O-N 2.8Å; T494-G496 VanDerWaalsContact C-N 3.3Å; T494-G496 PolarHBondContact O-N 3.49Å; G496-L499 PolarHBondContact O-N 3.35Å; G496-Q500 WeakPolarHBondContact O-CB 3.45Å; G496-Q500 PolarHBondContact O-N 3.42Å
497	A	87	Confident	87.7	Confident	3 Å²	3	12.8 Å²	12.8	3%	0.025	7%	0.071	C	C	.	.	H	α-helix	trans	-65.3	-38.3	176.5	0	0	0	0	0	112.2	Y205 S493 T494 Q500 S501	Y205-A497 HydrophobicContact CD1-CB 4.06Å; Y205-A497 HydrophobicContact CD2-CB 3.82Å; Y205-A497 HydrophobicContact CE1-CB 4.17Å; Y205-A497 HydrophobicContact CE2-CB 3.95Å; Y205-A497 HydrophobicContact CG-CB 3.9Å; S493-A497 PolarHBondContact O-N 3.15Å; T494-A497 PolarHBondContact O-N 3Å; A497-Q500 PolarHBondContact O-N 3.35Å; A497-S501 WeakPolarHBondContact O-CB 3.43Å; A497-S501 PolarHBondContact O-N 3.44Å; A497-S501 PolarHBondContact O-OG 2.88Å
498	G	88.9	Confident	87.6	Confident	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61.1	-49.1	172.5	0	0	0	0	0	112.4	T494 I495 Q500 S501 L502	T494-G498 PolarHBondContact O-N 3.07Å; I495-G498 PolarHBondContact O-N 3.26Å; G498-Q500 PolarHBondContact O-N 2.77Å; G498-S501 PolarHBondContact O-N 3.42Å; G498-L502 WeakPolarHBondContact O-CB 3.43Å; G498-L502 PolarHBondContact O-N 3Å
499	L	87.9	Confident	87.6	Confident	7 Å²	7	8.6 Å²	8.6	4%	0.037	5%	0.049	C	C	.	.	H	α-helix	trans	-58.9	-43.3	175.2	-80.6	165	0	0	0	112.2	V248 C251 V252 V259 F262 I495 G496 L502 T503	V248-L499 HydrophobicContact CB-CD2 4.14Å; V248-L499 HydrophobicContact CG1-CD2 3.42Å; V248-L499 VanDerWaalsContact CG1-CD2 3.42Å; V248-L499 HydrophobicContact CG1-CG 3.87Å; V248-L499 HydrophobicContact CG2-CD2 4.33Å; V248-L499 HydrophobicContact CG2-CG 4.44Å; C251-L499 HydrophobicContact CB-CD2 4.16Å; V252-L499 HydrophobicContact CG2-CD2 4.3Å; V259-L499 HydrophobicContact CG1-CB 4.21Å; V259-L499 HydrophobicContact CG2-CD2 4.49Å; F262-L499 HydrophobicContact CD1-CD1 3.67Å; F262-L499 HydrophobicContact CE1-CD1 3.84Å; F262-L499 HydrophobicContact CG-CD1 4.46Å; I495-L499 HydrophobicContact CG2-CD1 3.94Å; I495-L499 HydrophobicContact CG2-CG 4.46Å; I495-L499 WeakPolarHBondContact O-CB 3.33Å; I495-L499 WeakPolarHBondContact O-CG 3.38Å; I495-L499 PolarHBondContact O-N 3.37Å; G496-L499 PolarHBondContact O-N 3.35Å; L499-L502 PolarHBondContact O-N 3.39Å; L499-T503 WeakPolarHBondContact O-CG2 3.49Å; L499-T503 PolarHBondContact O-N 3.27Å; L499-T503 PolarHBondContact O-OG1 2.94Å; L499-T503 VanDerWaalsContact O-OG1 3.05Å
500	Q	83.9	Confident	87.6	Confident	15 Å²	15	8.5 Å²	8.5	7%	0.07	5%	0.047	C	C	.	.	H	α-helix	trans	-66.6	-41.8	179.3	-173	171.2	10.6	0	0	111.9	G82 N120 G496 A497 G498 T503 G504	G82-Q500 PolarHBondContact O-NE2 3.16Å; N120-Q500 VanDerWaalsContact ND2-CD 3.29Å; N120-Q500 PolarHBondContact ND2-NE2 3.42Å; N120-Q500 PolarHBondContact ND2-OE1 3.04Å; N120-Q500 PolarHBondContact OD1-OE1 3.04Å; G496-Q500 WeakPolarHBondContact O-CB 3.45Å; G496-Q500 PolarHBondContact O-N 3.42Å; A497-Q500 PolarHBondContact O-N 3.35Å; G498-Q500 PolarHBondContact O-N 2.77Å; Q500-T503 PolarHBondContact O-N 3.5Å; Q500-T503 PolarHBondContact O-OG1 2.95Å; Q500-G504 PolarHBondContact O-N 3.33Å
501	S	87.7	Confident	87.3	Confident	7 Å²	7	8.6 Å²	8.6	5%	0.049	5%	0.049	C	C	.	.	H	α-helix	trans	-65.2	-40.8	176.6	-59.9	0	0	0	0	111.8	A497 G498 T503 G504 A505	A497-S501 WeakPolarHBondContact O-CB 3.43Å; A497-S501 PolarHBondContact O-N 3.44Å; A497-S501 PolarHBondContact O-OG 2.88Å; G498-S501 PolarHBondContact O-N 3.42Å; S501-T503 VanDerWaalsContact C-N 3.32Å; S501-T503 PolarHBondContact O-N 2.93Å; S501-G504 PolarHBondContact O-N 2.94Å; S501-A505 WeakPolarHBondContact O-CB 3.45Å; S501-A505 PolarHBondContact O-N 3.39Å
502	L	88.4	Confident	87.3	Confident	1 Å²	1	7.8 Å²	7.8	1%	0.005	4%	0.043	C	C	.	.	H	α-helix	trans	-74.3	-18.8	-179.9	-159.4	69.2	0	0	0	113.6	L245 V248 M249 G498 L499 P506 Q537 A544	L245-L502 HydrophobicContact CD1-CD1 4.24Å; L245-L502 HydrophobicContact CD1-CD2 4.04Å; V248-L502 HydrophobicContact CB-CD2 4.39Å; V248-L502 HydrophobicContact CG1-CD2 3.5Å; M249-L502 HydrophobicContact CB-CD2 4.5Å; M249-L502 HydrophobicContact CE-CD1 4.08Å; M249-L502 HydrophobicContact CE-CD2 3.75Å; M249-L502 HydrophobicContact CE-CG 3.98Å; G498-L502 WeakPolarHBondContact O-CB 3.43Å; G498-L502 PolarHBondContact O-N 3Å; L499-L502 PolarHBondContact O-N 3.39Å; L502-P506 VanDerWaalsContact O-CD 3.22Å; L502-P506 WeakPolarHBondContact O-CD 3.45Å; L502-P506 WeakPolarHBondContact O-CG 3.46Å; L502-Q537 PolarHBondContact O-NE2 3.13Å; L502-Q537 PolarHBondContact O-OE1 2.95Å; L502-A544 HydrophobicContact CD1-CB 4.44Å
503	T	84.4	Confident	87.3	Confident	3 Å²	3	5.1 Å²	5.1	2%	0.018	3%	0.029	C	C	.	.	H	α-helix	trans	-89.1	-33.8	169.1	51.3	0	0	0	0	112.5	V252 V259 L499 Q500 S501 R507	V252-T503 HydrophobicContact CB-CG2 4.29Å; V252-T503 HydrophobicContact CG1-CG2 3.81Å; V252-T503 HydrophobicContact CG2-CG2 3.57Å; V259-T503 HydrophobicContact CB-CG2 4.42Å; V259-T503 HydrophobicContact CG1-CG2 4.01Å; V259-T503 HydrophobicContact CG2-CG2 4.1Å; L499-T503 WeakPolarHBondContact O-CG2 3.49Å; L499-T503 PolarHBondContact O-N 3.27Å; L499-T503 PolarHBondContact O-OG1 2.94Å; L499-T503 VanDerWaalsContact O-OG1 3.05Å; Q500-T503 PolarHBondContact O-N 3.5Å; Q500-T503 PolarHBondContact O-OG1 2.95Å; S501-T503 VanDerWaalsContact C-N 3.32Å; S501-T503 PolarHBondContact O-N 2.93Å; T503-R507 WeakPolarHBondContact O-CD 3.36Å; T503-R507 WeakPolarHBondContact O-CG 3.2Å
504	G	82.2	Confident	87	Confident	4 Å²	4	6.5 Å²	6.5	4%	0.041	4%	0.035	C	C	.	.	H	α-helix	trans	-74.6	-49.3	-178.2	0	0	0	0	0	113.7	I84 Q500 S501 R507 L508	I84-G504 VanDerWaalsContact CD1-CA 3.44Å; I84-G504 VanDerWaalsContact CD1-O 3.24Å; I84-G504 WeakPolarHBondContact CD1-O 3.35Å; Q500-G504 PolarHBondContact O-N 3.33Å; S501-G504 PolarHBondContact O-N 2.94Å; G504-R507 PolarHBondContact O-N 3.41Å; G504-R507 VanDerWaalsContact O-N 3.16Å; G504-L508 PolarHBondContact O-N 3.35Å
505	A	88.9	Confident	86.6	Confident	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-57.7	-43.5	-175.8	0	0	0	0	0	113.4	Y195 T198 T199 S501 R507 L508 L509	Y195-A505 HydrophobicContact CD2-CB 3.85Å; Y195-A505 VanDerWaalsContact CD2-O 3.25Å; Y195-A505 WeakPolarHBondContact CD2-O 3.43Å; Y195-A505 HydrophobicContact CE2-CB 4.07Å; T198-A505 HydrophobicContact CG2-CB 4.08Å; T199-A505 WeakPolarHBondContact OG1-CB 3.34Å; S501-A505 WeakPolarHBondContact O-CB 3.45Å; S501-A505 PolarHBondContact O-N 3.39Å; A505-R507 PolarHBondContact O-N 2.84Å; A505-L508 WeakPolarHBondContact O-CB 3.31Å; A505-L508 PolarHBondContact O-N 3.42Å; A505-L509 PolarHBondContact O-N 3.11Å
506	P	89.1	Confident	86.2	Confident	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-63.3	-36.6	176.8	-30.7	43.4	0	0	0	114.1	L502 L509 Q510 P533 A536 Q537 C540	L502-P506 VanDerWaalsContact O-CD 3.22Å; L502-P506 WeakPolarHBondContact O-CD 3.45Å; L502-P506 WeakPolarHBondContact O-CG 3.46Å; P506-L509 PolarHBondContact O-N 3.47Å; P506-Q510 WeakPolarHBondContact O-CB 3.26Å; P506-Q510 PolarHBondContact O-N 2.97Å; P506-P533 HydrophobicContact CB-CG 4.1Å; P506-A536 HydrophobicContact CB-CB 3.97Å; P506-A536 WeakPolarHBondContact O-CB 3.22Å; P506-Q537 HydrophobicContact CB-CB 4.41Å; P506-Q537 HydrophobicContact CG-CB 4.46Å; P506-C540 HydrophobicContact CG-CB 3.63Å
507	R	84.5	Confident	85.9	Confident	9 Å²	9	9.5 Å²	9.5	3%	0.034	5%	0.051	C	C	.	.	H	α-helix	trans	-68.5	-38.6	176	-68.6	173.2	-175.7	-127.9	-37.2	111.9	I84 T503 G504 A505 Q510 A511 E532	I84-R507 HydrophobicContact CB-CB 4.22Å; I84-R507 HydrophobicContact CG2-CB 4.29Å; I84-R507 VanDerWaalsContact O-CD 3.23Å; I84-R507 WeakPolarHBondContact O-CD 3.23Å; I84-R507 PolarHBondContact O-NH1 2.91Å; T503-R507 WeakPolarHBondContact O-CD 3.36Å; T503-R507 WeakPolarHBondContact O-CG 3.2Å; G504-R507 PolarHBondContact O-N 3.41Å; G504-R507 VanDerWaalsContact O-N 3.16Å; A505-R507 PolarHBondContact O-N 2.84Å; R507-Q510 PolarHBondContact O-N 3.01Å; R507-A511 WeakPolarHBondContact O-CB 3.21Å; R507-A511 PolarHBondContact O-N 3.02Å; R507-E532 IonicContact NH2-OE2 3.48Å; R507-E532 PolarHBondContact NH2-OE2 3.15Å
508	L	87.2	Confident	85.7	Confident	6 Å²	6	9.6 Å²	9.6	3%	0.031	5%	0.051	C	C	.	.	H	α-helix	trans	-62.2	-45.7	173.1	178.2	64.6	0	0	0	111.2	I84 Y175 F194 G504 A505 Q510 A511 I512	I84-L508 HydrophobicContact CD1-CB 4.44Å; Y175-L508 HydrophobicContact CG-CD1 4.21Å; F194-L508 HydrophobicContact CB-CD2 4.05Å; F194-L508 HydrophobicContact CD1-CD1 4.26Å; F194-L508 HydrophobicContact CD1-CD2 3.28Å; F194-L508 HydrophobicContact CD1-CG 4.41Å; F194-L508 HydrophobicContact CE1-CD2 3.92Å; F194-L508 HydrophobicContact CG-CD2 3.9Å; G504-L508 PolarHBondContact O-N 3.35Å; A505-L508 WeakPolarHBondContact O-CB 3.31Å; A505-L508 PolarHBondContact O-N 3.42Å; L508-Q510 VanDerWaalsContact C-N 3.33Å; L508-Q510 PolarHBondContact O-N 3.39Å; L508-A511 WeakPolarHBondContact O-CB 3.37Å; L508-A511 PolarHBondContact O-N 3.07Å; L508-I512 HydrophobicContact CG-CD1 4.29Å; L508-I512 VanDerWaalsContact O-CG1 3.31Å; L508-I512 WeakPolarHBondContact O-CG1 3.47Å; L508-I512 PolarHBondContact O-N 3.44Å; L508-I512 VanDerWaalsContact O-N 3.08Å
509	L	90.2	Very high	85.2	Confident	4 Å²	4	12.4 Å²	12.4	2%	0.021	7%	0.069	C	C	.	.	H	α-helix	trans	-63.2	-40.9	177	-175.9	64.4	0	0	0	112.1	Y195 A505 P506 I512 A513 L521 F524 A536 L539	Y195-L509 HydrophobicContact CD1-CD1 4.41Å; Y195-L509 HydrophobicContact CD2-CB 3.89Å; Y195-L509 HydrophobicContact CE1-CD1 4.42Å; Y195-L509 HydrophobicContact CE1-CD2 4.37Å; Y195-L509 HydrophobicContact CE2-CB 3.9Å; Y195-L509 HydrophobicContact CE2-CD2 4.04Å; Y195-L509 HydrophobicContact CE2-CG 4.45Å; Y195-L509 HydrophobicContact CG-CB 4.44Å; A505-L509 PolarHBondContact O-N 3.11Å; P506-L509 PolarHBondContact O-N 3.47Å; L509-I512 PolarHBondContact O-N 3.37Å; L509-A513 PolarHBondContact O-N 3.16Å; L509-L521 HydrophobicContact CD1-CD1 4.15Å; L509-L521 HydrophobicContact CD1-CD2 4.28Å; L509-F524 HydrophobicContact CD2-CB 4.43Å; L509-F524 HydrophobicContact CD2-CD1 4.43Å; L509-F524 HydrophobicContact CD2-CD2 4.29Å; L509-F524 HydrophobicContact CD2-CG 4.13Å; L509-F524 HydrophobicContact CG-CB 4.48Å; L509-A536 HydrophobicContact CB-CB 4.33Å; L509-A536 HydrophobicContact CD2-CB 3.96Å; L509-A536 HydrophobicContact CG-CB 4.44Å; L509-L539 HydrophobicContact CD2-CD2 3.68Å
510	Q	88.4	Confident	85.2	Confident	3 Å²	3	18 Å²	18	1%	0.014	9%	0.094	C	C	.	.	H	α-helix	trans	-62.4	-41.8	175.3	-175.3	-157.4	-18.8	0	0	111.8	T87 P506 R507 L508 I512 A513 Q514 P533	T87-Q510 PolarHBondContact OG1-NE2 2.84Å; T87-Q510 VanDerWaalsContact OG1-NE2 3.12Å; P506-Q510 WeakPolarHBondContact O-CB 3.26Å; P506-Q510 PolarHBondContact O-N 2.97Å; R507-Q510 PolarHBondContact O-N 3.01Å; L508-Q510 VanDerWaalsContact C-N 3.33Å; L508-Q510 PolarHBondContact O-N 3.39Å; Q510-I512 VanDerWaalsContact C-N 3.33Å; Q510-I512 PolarHBondContact O-N 3.38Å; Q510-A513 PolarHBondContact O-N 3.17Å; Q510-Q514 WeakPolarHBondContact O-CG 3.23Å; Q510-Q514 PolarHBondContact O-N 3.48Å; Q510-P533 HydrophobicContact CB-CB 4.04Å; Q510-P533 HydrophobicContact CB-CG 4.41Å; Q510-P533 HydrophobicContact CG-CB 4.05Å
511	A	83.8	Confident	85.4	Confident	3 Å²	3	18 Å²	18	3%	0.025	9%	0.094	C	C	.	.	H	α-helix	trans	-60.2	-43.2	175.6	0	0	0	0	0	111.7	T87 Y175 F176 R507 L508 A513 Q514 D515	T87-A511 HydrophobicContact CG2-CB 3.73Å; Y175-A511 HydrophobicContact CD1-CB 3.71Å; Y175-A511 HydrophobicContact CE1-CB 4.25Å; Y175-A511 WeakPolarHBondContact CE1-O 2.99Å; Y175-A511 HydrophobicContact CG-CB 4.48Å; F176-A511 HydrophobicContact CD2-CB 4.28Å; F176-A511 HydrophobicContact CE2-CB 3.63Å; F176-A511 HydrophobicContact CZ-CB 4.27Å; R507-A511 WeakPolarHBondContact O-CB 3.21Å; R507-A511 PolarHBondContact O-N 3.02Å; L508-A511 WeakPolarHBondContact O-CB 3.37Å; L508-A511 PolarHBondContact O-N 3.07Å; A511-A513 VanDerWaalsContact C-N 3.34Å; A511-A513 PolarHBondContact O-N 3.45Å; A511-Q514 PolarHBondContact O-N 3.03Å; A511-D515 PolarHBondContact O-N 3.25Å
512	I	88	Confident	85.3	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.7	-41.7	175.6	-62.9	161.3	0	0	0	111.2	Y175 G191 L508 L509 Q510 Q514 D515 M518 L521	Y175-I512 HydrophobicContact CD1-CG1 4.42Å; Y175-I512 HydrophobicContact CD2-CG1 3.77Å; Y175-I512 HydrophobicContact CE1-CG1 4.16Å; Y175-I512 HydrophobicContact CE2-CB 4.38Å; Y175-I512 HydrophobicContact CE2-CG1 3.48Å; Y175-I512 VanDerWaalsContact CE2-CG1 3.48Å; Y175-I512 HydrophobicContact CG-CG1 4.23Å; G191-I512 VanDerWaalsContact C-CD1 3.43Å; L508-I512 HydrophobicContact CG-CD1 4.29Å; L508-I512 VanDerWaalsContact O-CG1 3.31Å; L508-I512 WeakPolarHBondContact O-CG1 3.47Å; L508-I512 PolarHBondContact O-N 3.44Å; L508-I512 VanDerWaalsContact O-N 3.08Å; L509-I512 PolarHBondContact O-N 3.37Å; Q510-I512 VanDerWaalsContact C-N 3.33Å; Q510-I512 PolarHBondContact O-N 3.38Å; I512-Q514 VanDerWaalsContact C-N 3.3Å; I512-Q514 PolarHBondContact O-N 3.37Å; I512-D515 PolarHBondContact O-N 2.98Å; I512-M518 HydrophobicContact CG2-CE 3.42Å; I512-M518 VanDerWaalsContact CG2-CE 3.42Å; I512-L521 HydrophobicContact CG2-CD1 3.98Å
513	A	88.5	Confident	85.4	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.8	-32.3	176.5	0	0	0	0	0	112.4	L509 Q510 A511 N516 L521 F524 K525	L509-A513 PolarHBondContact O-N 3.16Å; Q510-A513 PolarHBondContact O-N 3.17Å; A511-A513 VanDerWaalsContact C-N 3.34Å; A511-A513 PolarHBondContact O-N 3.45Å; A513-N516 PolarHBondContact O-N 2.94Å; A513-L521 HydrophobicContact CB-CB 4.34Å; A513-L521 VanDerWaalsContact CB-O 3.24Å; A513-L521 WeakPolarHBondContact CB-O 3.46Å; A513-F524 HydrophobicContact CB-CB 4.35Å; A513-K525 HydrophobicContact CB-CB 4.16Å
514	Q	83	Confident	85.6	Confident	35 Å²	35	26.1 Å²	26.1	16%	0.164	14%	0.138	C	C	.	.	H	α-helix	trans	-70.3	-34.9	178.6	-78.3	174.1	-20.5	0	0	113.4	T87 Q510 A511 I512 N516 K525	T87-Q514 VanDerWaalsContact OG1-CD 3.25Å; T87-Q514 PolarHBondContact OG1-NE2 3.17Å; T87-Q514 PolarHBondContact OG1-OE1 2.92Å; Q510-Q514 WeakPolarHBondContact O-CG 3.23Å; Q510-Q514 PolarHBondContact O-N 3.48Å; A511-Q514 PolarHBondContact O-N 3.03Å; I512-Q514 VanDerWaalsContact C-N 3.3Å; I512-Q514 PolarHBondContact O-N 3.37Å; Q514-N516 PolarHBondContact O-N 3.42Å; Q514-N516 PolarHBondContact O-ND2 2.92Å; Q514-K525 HydrophobicContact CG-CG 3.93Å
515	D	80.1	Confident	85.7	Confident	34 Å²	34	30.4 Å²	30.4	18%	0.182	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-6.5	174.6	-85	-15.4	0	0	0	112.1	Y175 F176 S179 R180 A511 I512 V517	Y175-D515 HydrophobicContact CE1-CB 4.38Å; Y175-D515 WeakPolarHBondContact CE1-OD2 3.43Å; Y175-D515 PolarHBondContact OH-OD2 3.49Å; F176-D515 WeakPolarHBondContact CE1-OD1 3.42Å; S179-D515 PolarHBondContact OG-OD2 2.88Å; R180-D515 IonicContact NH2-OD1 3.19Å; R180-D515 PolarHBondContact NH2-OD1 3.02Å; R180-D515 VanDerWaalsContact NH2-OD1 3.13Å; A511-D515 PolarHBondContact O-N 3.25Å; I512-D515 PolarHBondContact O-N 2.98Å; D515-V517 HydrophobicContact CB-CG2 3.52Å; D515-V517 PolarHBondContact O-N 3.48Å; D515-V517 VanDerWaalsContact O-N 3.14Å
516	N	81.4	Confident	85.4	Confident	50 Å²	50	34 Å²	34	27%	0.267	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	35.9	-177.5	-43.3	-84.1	0	0	0	112.8	A513 Q514 M518	A513-N516 PolarHBondContact O-N 2.94Å; Q514-N516 PolarHBondContact O-N 3.42Å; Q514-N516 PolarHBondContact O-ND2 2.92Å; N516-M518 VanDerWaalsContact C-N 3.28Å
517	V	80	Confident	85	Confident	16 Å²	16	36.6 Å²	36.6	10%	0.097	19%	0.191	C	C	.	.	S	Bend	trans	-70.1	-31.8	179.7	-172.9	0	0	0	0	110.6	D515 I631	D515-V517 HydrophobicContact CB-CG2 3.52Å; D515-V517 PolarHBondContact O-N 3.48Å; D515-V517 VanDerWaalsContact O-N 3.14Å; V517-I631 HydrophobicContact CG1-CB 4.1Å; V517-I631 HydrophobicContact CG1-CD1 3.99Å; V517-I631 HydrophobicContact CG1-CG1 3.87Å; V517-I631 HydrophobicContact CG1-CG2 3.15Å
518	M	82.5	Confident	84.7	Confident	4 Å²	4	38.4 Å²	38.4	2%	0.02	20%	0.203	C	C	.	.	S	Bend	trans	-131.3	102.1	178.6	-71.2	174.2	-78.9	0	0	109.4	I192 I512 N516 F520 L521 Y630 I631	I192-M518 HydrophobicContact CD1-CE 3.16Å; I192-M518 HydrophobicContact CD1-SD 3.31Å; I192-M518 WeakPolarHBondContact CD1-SD 3.44Å; I192-M518 HydrophobicContact CG1-CE 3.57Å; I192-M518 HydrophobicContact CG1-SD 4.33Å; I512-M518 HydrophobicContact CG2-CE 3.42Å; I512-M518 VanDerWaalsContact CG2-CE 3.42Å; N516-M518 VanDerWaalsContact C-N 3.28Å; M518-F520 HydrophobicContact CB-CD1 4.11Å; M518-F520 HydrophobicContact CB-CE1 3.66Å; M518-F520 HydrophobicContact CB-CZ 3.91Å; M518-F520 HydrophobicContact CG-CE1 3.95Å; M518-F520 HydrophobicContact CG-CZ 4.12Å; M518-F520 PolarHBondContact O-N 2.82Å; M518-F520 HydrophobicContact SD-CE1 4.06Å; M518-F520 HydrophobicContact SD-CZ 3.65Å; M518-L521 HydrophobicContact CB-CB 4.47Å; M518-L521 HydrophobicContact CB-CD1 4.07Å; M518-L521 HydrophobicContact CB-CG 4.14Å; M518-L521 HydrophobicContact CE-CD1 3.35Å; M518-L521 WeakPolarHBondContact O-CB 3.26Å; M518-L521 PolarHBondContact O-N 3.05Å; M518-L521 HydrophobicContact SD-CD1 3.97Å; M518-Y630 HydrophobicContact CG-CD1 4.45Å; M518-Y630 HydrophobicContact CG-CE1 4.24Å; M518-I631 HydrophobicContact CG-CD1 4.45Å; M518-I631 HydrophobicContact CG-CG1 4.06Å; M518-I631 HydrophobicContact SD-CD1 4.38Å; M518-I631 HydrophobicContact SD-CG1 4.5Å
519	P	79.8	Confident	84.1	Confident	59 Å²	59	48.9 Å²	48.9	38%	0.383	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-57.9	-26.9	-172.8	-28.5	34.7	0	0	0	114.9	L521 D522	P519-L521 PolarHBondContact O-N 3.05Å; P519-D522 VanDerWaalsContact O-CB 3.31Å; P519-D522 WeakPolarHBondContact O-CB 3.46Å; P519-D522 PolarHBondContact O-N 3.46Å
520	F	87.3	Confident	83.1	Confident	125 Å²	125	58.2 Å²	58.2	55%	0.548	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-69.7	-17.9	176.7	65.7	-96.3	0	0	0	113.1	M518 Y630	M518-F520 HydrophobicContact CB-CD1 4.11Å; M518-F520 HydrophobicContact CB-CE1 3.66Å; M518-F520 HydrophobicContact CB-CZ 3.91Å; M518-F520 HydrophobicContact CG-CE1 3.95Å; M518-F520 HydrophobicContact CG-CZ 4.12Å; M518-F520 PolarHBondContact O-N 2.82Å; M518-F520 HydrophobicContact SD-CE1 4.06Å; M518-F520 HydrophobicContact SD-CZ 3.65Å; F520-Y630 HydrophobicContact CD1-CE1 4.38Å; F520-Y630 AromaticContact CE1-CE1 3.89Å; F520-Y630 HydrophobicContact CE1-CE1 3.89Å
521	L	88	Confident	82.2	Confident	16 Å²	16	59.4 Å²	59.4	8%	0.084	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-87.2	-6.2	174.5	-64.7	-178.5	0	0	0	113.2	L509 I512 A513 M518 P519 V523 F524	L509-L521 HydrophobicContact CD1-CD1 4.15Å; L509-L521 HydrophobicContact CD1-CD2 4.28Å; I512-L521 HydrophobicContact CG2-CD1 3.98Å; A513-L521 HydrophobicContact CB-CB 4.34Å; A513-L521 VanDerWaalsContact CB-O 3.24Å; A513-L521 WeakPolarHBondContact CB-O 3.46Å; M518-L521 HydrophobicContact CB-CB 4.47Å; M518-L521 HydrophobicContact CB-CD1 4.07Å; M518-L521 HydrophobicContact CB-CG 4.14Å; M518-L521 HydrophobicContact CE-CD1 3.35Å; M518-L521 WeakPolarHBondContact O-CB 3.26Å; M518-L521 PolarHBondContact O-N 3.05Å; M518-L521 HydrophobicContact SD-CD1 3.97Å; P519-L521 PolarHBondContact O-N 3.05Å; L521-V523 PolarHBondContact O-N 2.82Å; L521-F524 HydrophobicContact CB-CD2 4.34Å; L521-F524 HydrophobicContact CD2-CD2 3.79Å; L521-F524 HydrophobicContact CD2-CE2 3.86Å; L521-F524 WeakPolarHBondContact O-CB 3.4Å; L521-F524 PolarHBondContact O-N 3.07Å
522	D	85.8	Confident	81.8	Confident	59 Å²	59	60.4 Å²	60.4	32%	0.316	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-58.5	-25.8	-178.6	-65.4	-8.4	0	0	0	112.1	P519 F524 K525	P519-D522 VanDerWaalsContact O-CB 3.31Å; P519-D522 WeakPolarHBondContact O-CB 3.46Å; P519-D522 PolarHBondContact O-N 3.46Å; D522-F524 PolarHBondContact O-N 2.85Å; D522-K525 WeakPolarHBondContact O-CB 3.3Å; D522-K525 PolarHBondContact O-N 3.16Å
523	V	89.8	Confident	81.7	Confident	83 Å²	83	60.5 Å²	60.5	50%	0.503	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-56.5	-31.1	173.7	-178	0	0	0	0	112.2	L521 R535	L521-V523 PolarHBondContact O-N 2.82Å; V523-R535 WeakPolarHBondContact O-CD 3.42Å; V523-R535 PolarHBondContact O-NH1 3.5Å
524	F	89.7	Confident	81.6	Confident	39 Å²	39	64 Å²	64	17%	0.171	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-88.9	-2.3	-178.8	-57.1	-67.5	0	0	0	114	L509 A513 L521 D522 V526 R535 A536 L539	L509-F524 HydrophobicContact CD2-CB 4.43Å; L509-F524 HydrophobicContact CD2-CD1 4.43Å; L509-F524 HydrophobicContact CD2-CD2 4.29Å; L509-F524 HydrophobicContact CD2-CG 4.13Å; L509-F524 HydrophobicContact CG-CB 4.48Å; A513-F524 HydrophobicContact CB-CB 4.35Å; L521-F524 HydrophobicContact CB-CD2 4.34Å; L521-F524 HydrophobicContact CD2-CD2 3.79Å; L521-F524 HydrophobicContact CD2-CE2 3.86Å; L521-F524 WeakPolarHBondContact O-CB 3.4Å; L521-F524 PolarHBondContact O-N 3.07Å; D522-F524 PolarHBondContact O-N 2.85Å; F524-V526 VanDerWaalsContact C-N 3.25Å; F524-V526 PolarHBondContact O-N 3.46Å; F524-R535 HydrophobicContact CD1-CB 3.86Å; F524-R535 HydrophobicContact CE1-CB 4.38Å; F524-A536 HydrophobicContact CB-CB 4.45Å; F524-L539 HydrophobicContact CE1-CB 4.12Å; F524-L539 HydrophobicContact CE1-CD2 4.1Å; F524-L539 HydrophobicContact CE2-CD2 4.17Å; F524-L539 HydrophobicContact CZ-CB 4.49Å; F524-L539 HydrophobicContact CZ-CD2 3.75Å
525	K	84	Confident	81.9	Confident	93 Å²	93	68 Å²	68	40%	0.404	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-66.5	-26.1	176	-176.2	179.1	176.3	-179.5	0	113	A513 Q514 D522 I527	A513-K525 HydrophobicContact CB-CB 4.16Å; Q514-K525 HydrophobicContact CG-CG 3.93Å; D522-K525 WeakPolarHBondContact O-CB 3.3Å; D522-K525 PolarHBondContact O-N 3.16Å; K525-I527 WeakPolarHBondContact O-CG1 3.4Å; K525-I527 PolarHBondContact O-N 3.25Å
526	V	83.2	Confident	82.4	Confident	76 Å²	76	66.4 Å²	66.4	46%	0.461	32%	0.324	S	S	.	.			trans	-68.1	125.3	-171.1	-176.9	0	0	0	0	111.7	F524	F524-V526 VanDerWaalsContact C-N 3.25Å; F524-V526 PolarHBondContact O-N 3.46Å
527	I	79.6	Confident	82.8	Confident	55 Å²	55	64.3 Å²	64.3	28%	0.282	31%	0.313	S	S	.	.			trans	-104.8	146.6	178	-40.3	179.4	0	0	0	109	K525 G531	K525-I527 WeakPolarHBondContact O-CG1 3.4Å; K525-I527 PolarHBondContact O-N 3.25Å; I527-G531 WeakPolarHBondContact CG2-O 3.36Å
528	T	79	Confident	83.4	Confident	47 Å²	47	68.6 Å²	68.6	29%	0.288	34%	0.335	S	S	.	.			trans	-74.6	164.9	167.3	49	0	0	0	0	112.2	R530 G531 E532 L534	T528-R530 PolarHBondContact O-N 3.37Å; T528-G531 PolarHBondContact O-N 3.3Å; T528-E532 PolarHBondContact N-O 3.46Å; T528-E532 PolarHBondContact OG1-N 3.22Å; T528-E532 PolarHBondContact OG1-O 2.83Å; T528-L534 HydrophobicContact CG2-CB 4.41Å; T528-L534 HydrophobicContact CG2-CD1 3.25Å; T528-L534 HydrophobicContact CG2-CD2 4.4Å; T528-L534 HydrophobicContact CG2-CG 3.4Å; T528-L534 VanDerWaalsContact CG2-CG 3.4Å
529	K	75.1	Confident	83.9	Confident	225 Å²	225	71.5 Å²	71.5	98%	0.978	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-21.5	171.8	-64	-174.8	178.5	-177	0	114.4
530	R	67.8	Low	84.6	Confident	201 Å²	201	68.7 Å²	68.7	76%	0.758	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-5.2	178	-66.2	-175.3	-178.6	-178.9	0.9	113.9	T528 E532	T528-R530 PolarHBondContact O-N 3.37Å; R530-E532 HydrophobicContact CB-CG 4.38Å
531	G	69	Low	84.9	Confident	28 Å²	28	65.5 Å²	65.5	29%	0.289	32%	0.316	S	S	.	.	S	Bend	trans	89.5	9.8	-175.4	0	0	0	0	0	114.7	I527 T528	I527-G531 WeakPolarHBondContact CG2-O 3.36Å; T528-G531 PolarHBondContact O-N 3.3Å
532	E	76.1	Confident	85.2	Confident	23 Å²	23	66.3 Å²	66.3	11%	0.107	33%	0.328	C	S	.	.			trans	-103.3	135.5	-175.3	-53	-69.3	-175.8	0	0	112.7	I256 R507 T528 R530 L534	I256-E532 WeakPolarHBondContact CD1-OE1 3.25Å; I256-E532 WeakPolarHBondContact CG1-OE1 3.24Å; R507-E532 IonicContact NH2-OE2 3.48Å; R507-E532 PolarHBondContact NH2-OE2 3.15Å; T528-E532 PolarHBondContact N-O 3.46Å; T528-E532 PolarHBondContact OG1-N 3.22Å; T528-E532 PolarHBondContact OG1-O 2.83Å; R530-E532 HydrophobicContact CB-CG 4.38Å; E532-L534 PolarHBondContact O-N 2.68Å; E532-L534 VanDerWaalsContact O-N 3.16Å
533	P	85.2	Confident	85.6	Confident	2 Å²	2	65.2 Å²	65.2	1%	0.013	32%	0.322	C	S	.	.			trans	-86.2	79.2	179.4	35.3	-36.4	0	0	0	112.1	P506 Q510 R535 A536 Q537	P506-P533 HydrophobicContact CB-CG 4.1Å; Q510-P533 HydrophobicContact CB-CB 4.04Å; Q510-P533 HydrophobicContact CB-CG 4.41Å; Q510-P533 HydrophobicContact CG-CB 4.05Å; P533-R535 VanDerWaalsContact C-N 3.29Å; P533-R535 PolarHBondContact O-N 3.42Å; P533-A536 HydrophobicContact CB-CB 4.03Å; P533-A536 HydrophobicContact CG-CB 4.43Å; P533-A536 PolarHBondContact O-N 3.25Å; P533-Q537 WeakPolarHBondContact O-CB 3.36Å; P533-Q537 PolarHBondContact O-N 3.47Å
534	L	86.9	Confident	85.9	Confident	73 Å²	73	61.2 Å²	61.2	38%	0.382	30%	0.298	S	S	.	.	H	α-helix	trans	-54.3	-40.6	-176.1	-70.2	-178.3	0	0	0	113.8	F253 T528 E532 Q537 L538	F253-L534 HydrophobicContact CD1-CD2 3.57Å; F253-L534 HydrophobicContact CE1-CD2 3.24Å; F253-L534 HydrophobicContact CZ-CD2 4.26Å; T528-L534 HydrophobicContact CG2-CB 4.41Å; T528-L534 HydrophobicContact CG2-CD1 3.25Å; T528-L534 HydrophobicContact CG2-CD2 4.4Å; T528-L534 HydrophobicContact CG2-CG 3.4Å; T528-L534 VanDerWaalsContact CG2-CG 3.4Å; E532-L534 PolarHBondContact O-N 2.68Å; E532-L534 VanDerWaalsContact O-N 3.16Å; L534-Q537 WeakPolarHBondContact O-CB 3.25Å; L534-Q537 PolarHBondContact O-N 3.4Å; L534-L538 WeakPolarHBondContact O-CG 3.42Å; L534-L538 PolarHBondContact O-N 3.23Å
535	R	89.8	Confident	86.1	Confident	120 Å²	120	61 Å²	61	45%	0.453	30%	0.298	S	S	.	.	H	α-helix	trans	-68.4	-42.6	-177.7	-67	179.2	177.7	175	-0.7	112	V523 F524 P533 Q537 L538 L539	V523-R535 WeakPolarHBondContact O-CD 3.42Å; V523-R535 PolarHBondContact O-NH1 3.5Å; F524-R535 HydrophobicContact CD1-CB 3.86Å; F524-R535 HydrophobicContact CE1-CB 4.38Å; P533-R535 VanDerWaalsContact C-N 3.29Å; P533-R535 PolarHBondContact O-N 3.42Å; R535-Q537 VanDerWaalsContact C-N 3.3Å; R535-L538 PolarHBondContact O-N 3.23Å; R535-L539 PolarHBondContact O-N 3.35Å; R535-L539 VanDerWaalsContact O-N 3.16Å
536	A	90.6	Very high	86.6	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-66.4	-37.2	175.6	0	0	0	0	0	110.9	P506 L509 F524 P533 L539 C540	P506-A536 HydrophobicContact CB-CB 3.97Å; P506-A536 WeakPolarHBondContact O-CB 3.22Å; L509-A536 HydrophobicContact CB-CB 4.33Å; L509-A536 HydrophobicContact CD2-CB 3.96Å; L509-A536 HydrophobicContact CG-CB 4.44Å; F524-A536 HydrophobicContact CB-CB 4.45Å; P533-A536 HydrophobicContact CB-CB 4.03Å; P533-A536 HydrophobicContact CG-CB 4.43Å; P533-A536 PolarHBondContact O-N 3.25Å; A536-L539 PolarHBondContact O-N 3.16Å; A536-C540 WeakPolarHBondContact O-CB 3.22Å; A536-C540 PolarHBondContact O-N 3.26Å
537	Q	90	Very high	87.1	Confident	7 Å²	7	58.8 Å²	58.8	3%	0.033	29%	0.288	C	S	.	.	H	α-helix	trans	-61.4	-45.6	176.3	-167.2	72.1	34.6	0	0	111.7	M249 F253 L502 P506 P533 L534 R535 L539 C540 Y541	M249-Q537 HydrophobicContact CE-CG 3.8Å; M249-Q537 HydrophobicContact SD-CG 3.34Å; M249-Q537 WeakPolarHBondContact SD-CG 3.48Å; M249-Q537 PolarHBondContact SD-NE2 3.23Å; M249-Q537 VanDerWaalsContact SD-NE2 3.43Å; F253-Q537 HydrophobicContact CE1-CB 4.35Å; F253-Q537 HydrophobicContact CE1-CG 3.87Å; F253-Q537 HydrophobicContact CZ-CG 4.08Å; L502-Q537 PolarHBondContact O-NE2 3.13Å; L502-Q537 PolarHBondContact O-OE1 2.95Å; P506-Q537 HydrophobicContact CB-CB 4.41Å; P506-Q537 HydrophobicContact CG-CB 4.46Å; P533-Q537 WeakPolarHBondContact O-CB 3.36Å; P533-Q537 PolarHBondContact O-N 3.47Å; L534-Q537 WeakPolarHBondContact O-CB 3.25Å; L534-Q537 PolarHBondContact O-N 3.4Å; R535-Q537 VanDerWaalsContact C-N 3.3Å; Q537-L539 PolarHBondContact O-N 2.92Å; Q537-C540 PolarHBondContact O-N 3.19Å; Q537-Y541 PolarHBondContact O-N 3.14Å
538	L	92.5	Very high	87.8	Confident	106 Å²	106	56.1 Å²	56.1	56%	0.555	28%	0.275	S	S	*	.	H	α-helix	trans	-64.1	-38.1	176.8	-72.5	171.7	0	0	0	112.4	L534 R535 Y541 G542	L534-L538 WeakPolarHBondContact O-CG 3.42Å; L534-L538 PolarHBondContact O-N 3.23Å; R535-L538 PolarHBondContact O-N 3.23Å; L538-Y541 WeakPolarHBondContact O-CB 3.47Å; L538-Y541 PolarHBondContact O-N 3.44Å; L538-G542 PolarHBondContact O-N 2.98Å; L538-G542 VanDerWaalsContact O-N 3.07Å
539	L	93.2	Very high	88.5	Confident	65 Å²	65	57.9 Å²	57.9	34%	0.34	28%	0.282	S	S	.	.	H	α-helix	trans	-64.2	-44.4	174.1	-176.8	66.8	0	0	0	111.2	Y195 L509 F524 R535 A536 Q537 Y541 G542 I543	Y195-L539 WeakPolarHBondContact OH-CD2 3.27Å; Y195-L539 WeakPolarHBondContact OH-CG 3.3Å; L509-L539 HydrophobicContact CD2-CD2 3.68Å; F524-L539 HydrophobicContact CE1-CB 4.12Å; F524-L539 HydrophobicContact CE1-CD2 4.1Å; F524-L539 HydrophobicContact CE2-CD2 4.17Å; F524-L539 HydrophobicContact CZ-CB 4.49Å; F524-L539 HydrophobicContact CZ-CD2 3.75Å; R535-L539 PolarHBondContact O-N 3.35Å; R535-L539 VanDerWaalsContact O-N 3.16Å; A536-L539 PolarHBondContact O-N 3.16Å; Q537-L539 PolarHBondContact O-N 2.92Å; L539-Y541 VanDerWaalsContact C-N 3.34Å; L539-Y541 PolarHBondContact O-N 3.14Å; L539-G542 PolarHBondContact O-N 3.43Å; L539-G542 VanDerWaalsContact O-N 3.17Å; L539-I543 HydrophobicContact CD1-CD1 4.44Å; L539-I543 HydrophobicContact CG-CD1 4.13Å; L539-I543 WeakPolarHBondContact O-CG1 3.38Å; L539-I543 PolarHBondContact O-N 3.48Å
540	C	93.5	Very high	89.2	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.6	-40.9	177.9	-170.4	0	0	0	0	111.6	T199 P506 A536 Q537 G542 I543 A544	T199-C540 HydrophobicContact CG2-CB 4.39Å; T199-C540 WeakPolarHBondContact CG2-O 3.36Å; T199-C540 WeakPolarHBondContact CG2-SG 3.31Å; T199-C540 PolarHBondContact OG1-SG 3.2Å; P506-C540 HydrophobicContact CG-CB 3.63Å; A536-C540 WeakPolarHBondContact O-CB 3.22Å; A536-C540 PolarHBondContact O-N 3.26Å; Q537-C540 PolarHBondContact O-N 3.19Å; C540-G542 VanDerWaalsContact C-N 3.35Å; C540-G542 PolarHBondContact O-N 3.45Å; C540-I543 PolarHBondContact O-N 3.34Å; C540-A544 VanDerWaalsContact O-CB 3.26Å; C540-A544 WeakPolarHBondContact O-CB 3.45Å; C540-A544 PolarHBondContact O-N 3.05Å
541	Y	94	Very high	90.1	Very high	57 Å²	57	41.1 Å²	41.1	22%	0.224	22%	0.218	C	C	.	.	H	α-helix	trans	-54.9	-48.8	170.5	-178.5	-105.5	0	0	0	111.9	L245 M249 Q537 L538 L539 I543 A544 Q545	L245-Y541 HydrophobicContact CB-CE2 4.46Å; L245-Y541 HydrophobicContact CD1-CD2 4.38Å; L245-Y541 HydrophobicContact CD2-CD2 3.71Å; L245-Y541 HydrophobicContact CD2-CE2 3.66Å; L245-Y541 HydrophobicContact CG-CD2 3.73Å; L245-Y541 HydrophobicContact CG-CE2 3.63Å; M249-Y541 HydrophobicContact CB-CD2 4.1Å; M249-Y541 HydrophobicContact CB-CE2 4.38Å; M249-Y541 HydrophobicContact CE-CD2 3.84Å; M249-Y541 HydrophobicContact CE-CG 4.08Å; M249-Y541 HydrophobicContact CG-CD2 4.07Å; Q537-Y541 PolarHBondContact O-N 3.14Å; L538-Y541 WeakPolarHBondContact O-CB 3.47Å; L538-Y541 PolarHBondContact O-N 3.44Å; L539-Y541 VanDerWaalsContact C-N 3.34Å; L539-Y541 PolarHBondContact O-N 3.14Å; Y541-I543 PolarHBondContact O-N 2.98Å; Y541-A544 PolarHBondContact O-N 3.04Å; Y541-Q545 VanDerWaalsContact O-CB 3.29Å; Y541-Q545 WeakPolarHBondContact O-CB 3.46Å; Y541-Q545 PolarHBondContact O-N 3.39Å
542	G	95	Very high	90.9	Very high	33 Å²	33	40.2 Å²	40.2	34%	0.34	21%	0.207	S	C	.	.	H	α-helix	trans	-61.4	-44.2	-179.6	0	0	0	0	0	112.9	L538 L539 C540 Q545 L546	L538-G542 PolarHBondContact O-N 2.98Å; L538-G542 VanDerWaalsContact O-N 3.07Å; L539-G542 PolarHBondContact O-N 3.43Å; L539-G542 VanDerWaalsContact O-N 3.17Å; C540-G542 VanDerWaalsContact C-N 3.35Å; C540-G542 PolarHBondContact O-N 3.45Å; G542-Q545 PolarHBondContact O-N 2.9Å; G542-L546 WeakPolarHBondContact O-CG 3.28Å; G542-L546 PolarHBondContact O-N 3.35Å; G542-L546 VanDerWaalsContact O-N 3.16Å
543	I	94.7	Very high	91.5	Very high	36 Å²	36	39.1 Å²	39.1	19%	0.185	20%	0.202	C	C	.	.	H	α-helix	trans	-69.7	-41.4	178.3	-61.3	171.3	0	0	0	110.9	Y195 L196 T199 I200 L539 C540 Y541 Q545 L546 G547	Y195-I543 HydrophobicContact CE1-CD1 3.97Å; Y195-I543 WeakPolarHBondContact OH-CD1 3.44Å; L196-I543 HydrophobicContact CD2-CD1 4.24Å; T199-I543 HydrophobicContact CG2-CB 3.63Å; T199-I543 HydrophobicContact CG2-CG2 3.6Å; I200-I543 HydrophobicContact CG1-CG2 4.37Å; L539-I543 HydrophobicContact CD1-CD1 4.44Å; L539-I543 HydrophobicContact CG-CD1 4.13Å; L539-I543 WeakPolarHBondContact O-CG1 3.38Å; L539-I543 PolarHBondContact O-N 3.48Å; C540-I543 PolarHBondContact O-N 3.34Å; Y541-I543 PolarHBondContact O-N 2.98Å; I543-Q545 VanDerWaalsContact C-N 3.3Å; I543-Q545 PolarHBondContact O-N 2.67Å; I543-L546 WeakPolarHBondContact O-CB 3.29Å; I543-L546 PolarHBondContact O-N 3.45Å; I543-G547 PolarHBondContact O-N 3.28Å
544	A	94.7	Very high	91.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.2	-39.1	175.4	0	0	0	0	0	111.3	T199 A203 L245 L502 C540 Y541 L546 G547 I548	T199-A544 HydrophobicContact CG2-CB 4.34Å; A203-A544 WeakPolarHBondContact CB-O 3.34Å; L245-A544 HydrophobicContact CD1-CB 3.93Å; L245-A544 HydrophobicContact CD2-CB 4.05Å; L502-A544 HydrophobicContact CD1-CB 4.44Å; C540-A544 VanDerWaalsContact O-CB 3.26Å; C540-A544 WeakPolarHBondContact O-CB 3.45Å; C540-A544 PolarHBondContact O-N 3.05Å; Y541-A544 PolarHBondContact O-N 3.04Å; A544-L546 VanDerWaalsContact C-N 3.35Å; A544-L546 PolarHBondContact O-N 2.92Å; A544-G547 WeakPolarHBondContact O-CA 3.37Å; A544-G547 PolarHBondContact O-N 3.23Å; A544-G547 VanDerWaalsContact O-N 3.07Å; A544-I548 WeakPolarHBondContact O-CG1 3.26Å; A544-I548 PolarHBondContact O-N 3.49Å
545	Q	95.3	Very high	91.7	Very high	34 Å²	34	42.4 Å²	42.4	16%	0.159	21%	0.21	C	C	.	.	H	α-helix	trans	-61.1	-41.9	175.6	-176.2	61.4	23.7	0	0	111.9	T242 L245 Y541 G542 I543 G547 I548 L549	T242-Q545 PolarHBondContact OG1-NE2 3.47Å; L245-Q545 HydrophobicContact CD2-CB 4Å; Y541-Q545 VanDerWaalsContact O-CB 3.29Å; Y541-Q545 WeakPolarHBondContact O-CB 3.46Å; Y541-Q545 PolarHBondContact O-N 3.39Å; G542-Q545 PolarHBondContact O-N 2.9Å; I543-Q545 VanDerWaalsContact C-N 3.3Å; I543-Q545 PolarHBondContact O-N 2.67Å; Q545-G547 VanDerWaalsContact C-N 3.26Å; Q545-G547 PolarHBondContact O-N 3.29Å; Q545-I548 PolarHBondContact O-N 2.98Å; Q545-L549 WeakPolarHBondContact O-CG 3.42Å; Q545-L549 PolarHBondContact O-N 3.36Å
546	L	94.6	Very high	91.7	Very high	117 Å²	117	36.7 Å²	36.7	61%	0.613	19%	0.189	S	C	*	.	H	α-helix	trans	-59.5	-39	173.2	-67.5	175.2	0	0	0	111.7	G542 I543 A544 L549	G542-L546 WeakPolarHBondContact O-CG 3.28Å; G542-L546 PolarHBondContact O-N 3.35Å; G542-L546 VanDerWaalsContact O-N 3.16Å; I543-L546 WeakPolarHBondContact O-CB 3.29Å; I543-L546 PolarHBondContact O-N 3.45Å; A544-L546 VanDerWaalsContact C-N 3.35Å; A544-L546 PolarHBondContact O-N 2.92Å; L546-L549 PolarHBondContact O-N 3.45Å
547	G	92.6	Very high	91.7	Very high	5 Å²	5	36.7 Å²	36.7	5%	0.052	19%	0.189	C	C	.	.	H	α-helix	trans	-63.2	-42.7	173.9	0	0	0	0	0	113	I543 A544 Q545 L549 I550	I543-G547 PolarHBondContact O-N 3.28Å; A544-G547 WeakPolarHBondContact O-CA 3.37Å; A544-G547 PolarHBondContact O-N 3.23Å; A544-G547 VanDerWaalsContact O-N 3.07Å; Q545-G547 VanDerWaalsContact C-N 3.26Å; Q545-G547 PolarHBondContact O-N 3.29Å; G547-L549 VanDerWaalsContact C-N 3.31Å; G547-L549 PolarHBondContact O-N 3.43Å; G547-I550 WeakPolarHBondContact O-CB 3.41Å; G547-I550 PolarHBondContact O-N 2.95Å
548	I	94	Very high	91.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.8	-34.3	178.8	-66.8	-179.2	0	0	0	111.9	A203 L206 V207 G241 L245 A544 Q545 I550 A551	A203-I548 HydrophobicContact CB-CG1 3.98Å; L206-I548 HydrophobicContact CB-CD1 4.43Å; L206-I548 HydrophobicContact CD1-CD1 4.26Å; V207-I548 HydrophobicContact CG2-CB 4.43Å; V207-I548 HydrophobicContact CG2-CG1 4.15Å; V207-I548 HydrophobicContact CG2-CG2 4.48Å; G241-I548 WeakPolarHBondContact O-CD1 3.46Å; L245-I548 HydrophobicContact CB-CD1 3.54Å; L245-I548 HydrophobicContact CD1-CD1 4.39Å; L245-I548 HydrophobicContact CD2-CD1 3.78Å; L245-I548 HydrophobicContact CG-CD1 4.08Å; A544-I548 WeakPolarHBondContact O-CG1 3.26Å; A544-I548 PolarHBondContact O-N 3.49Å; Q545-I548 PolarHBondContact O-N 2.98Å; I548-I550 PolarHBondContact O-N 2.76Å; I548-A551 WeakPolarHBondContact O-CA 3.34Å; I548-A551 PolarHBondContact O-N 2.93Å
549	L	93.5	Very high	91.2	Very high	83 Å²	83	36.1 Å²	36.1	44%	0.435	19%	0.188	S	C	.	.	H	α-helix	trans	-63.1	-25.9	177.8	-70.6	174.7	0	0	0	113.5	R238 Q545 L546 G547 A551	R238-L549 PolarHBondContact NE-O 3.4Å; R238-L549 PolarHBondContact NH2-O 2.89Å; Q545-L549 WeakPolarHBondContact O-CG 3.42Å; Q545-L549 PolarHBondContact O-N 3.36Å; L546-L549 PolarHBondContact O-N 3.45Å; G547-L549 VanDerWaalsContact C-N 3.31Å; G547-L549 PolarHBondContact O-N 3.43Å; L549-A551 PolarHBondContact O-N 3.47Å
550	I	90.5	Very high	91.2	Very high	71 Å²	71	33 Å²	33	36%	0.364	17%	0.172	S	C	.	.	H	α-helix	trans	-63	-28.9	172.4	-60.4	173	0	0	0	110.7	G547 I548 S552 L556	G547-I550 WeakPolarHBondContact O-CB 3.41Å; G547-I550 PolarHBondContact O-N 2.95Å; I548-I550 PolarHBondContact O-N 2.76Å; I550-S552 PolarHBondContact O-N 3.38Å; I550-L556 HydrophobicContact CB-CG 4.44Å; I550-L556 HydrophobicContact CD1-CD2 3.94Å; I550-L556 HydrophobicContact CG2-CG 4.43Å
551	A	86.6	Confident	91.1	Very high	4 Å²	4	33 Å²	33	3%	0.033	17%	0.172	C	C	.	.			trans	62.7	5.9	169.3	0	0	0	0	0	117.1	F234 R238 I548 L549	F234-A551 HydrophobicContact CB-CB 3.94Å; F234-A551 HydrophobicContact CD1-CB 4.26Å; F234-A551 WeakPolarHBondContact CD1-O 3.3Å; F234-A551 HydrophobicContact CG-CB 4.44Å; F234-A551 WeakPolarHBondContact O-CB 3.34Å; R238-A551 HydrophobicContact CG-CB 3.57Å; I548-A551 WeakPolarHBondContact O-CA 3.34Å; I548-A551 PolarHBondContact O-N 2.93Å; L549-A551 PolarHBondContact O-N 3.47Å
552	S	86.2	Confident	90.9	Very high	8 Å²	8	31 Å²	31	6%	0.056	16%	0.164	C	C	.	.			trans	-135.5	127.5	-178.8	169.8	0	0	0	0	110.9	I550 D554 Y555 L556	I550-S552 PolarHBondContact O-N 3.38Å; S552-D554 PolarHBondContact O-N 3.39Å; S552-D554 PolarHBondContact OG-N 3.4Å; S552-Y555 PolarHBondContact O-N 3.15Å; S552-L556 PolarHBondContact O-N 3.45Å
553	I	88.6	Confident	90.7	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-63.1	-35.4	178.5	-57.8	179.5	0	0	0	110.9	I124 L125 M204 V207 E211 Y555 L556 T557	I124-I553 HydrophobicContact CD1-CD1 4.45Å; L125-I553 HydrophobicContact CD2-CG2 4.22Å; M204-I553 HydrophobicContact CG-CG2 4.18Å; V207-I553 HydrophobicContact CB-CG1 4.46Å; V207-I553 HydrophobicContact CG1-CG1 3.68Å; E211-I553 HydrophobicContact CB-CD1 4.35Å; E211-I553 WeakPolarHBondContact OE2-CD1 3.36Å; I553-Y555 VanDerWaalsContact C-N 3.33Å; I553-Y555 PolarHBondContact O-N 3Å; I553-L556 PolarHBondContact O-N 3.35Å; I553-T557 WeakPolarHBondContact O-CB 3.47Å; I553-T557 PolarHBondContact O-N 3.45Å; I553-T557 PolarHBondContact O-OG1 2.92Å
554	D	88	Confident	90.6	Very high	6 Å²	6	30 Å²	30	3%	0.032	15%	0.149	C	C	.	.	H	α-helix	trans	-74.9	-26.5	-171.8	-50.3	-42.6	0	0	0	111.8	R129 V395 K464 S552 P558	R129-D554 IonicContact CZ-OD1 3.52Å; R129-D554 IonicContact NE-OD1 2.83Å; R129-D554 PolarHBondContact NE-OD1 2.96Å; R129-D554 IonicContact NH2-OD1 3.22Å; R129-D554 PolarHBondContact NH2-OD1 2.85Å; R129-D554 VanDerWaalsContact NH2-OD1 3.14Å; R129-D554 IonicContact NH2-OD2 2.67Å; R129-D554 PolarHBondContact NH2-OD2 3.23Å; V395-D554 HydrophobicContact CG2-CB 4.27Å; K464-D554 IonicContact NZ-OD2 3.7Å; K464-D554 PolarHBondContact NZ-OD2 3.08Å; S552-D554 PolarHBondContact O-N 3.39Å; S552-D554 PolarHBondContact OG-N 3.4Å; D554-P558 WeakPolarHBondContact O-CD 3.43Å
555	Y	87.1	Confident	90.6	Very high	138 Å²	138	30 Å²	30	54%	0.541	15%	0.149	S	C	.	.	H	α-helix	trans	-84.7	-32.3	171.6	-67.7	-58.2	0	0	0	113.1	S552 I553 T557	S552-Y555 PolarHBondContact O-N 3.15Å; I553-Y555 VanDerWaalsContact C-N 3.33Å; I553-Y555 PolarHBondContact O-N 3Å; Y555-T557 VanDerWaalsContact C-N 3.31Å
556	L	90.3	Very high	90.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-66.6	-35.8	175.9	-82.7	167.2	0	0	0	112.3	I200 V207 I550 S552 I553 L559 I560	I200-L556 HydrophobicContact CG2-CD2 3.95Å; V207-L556 HydrophobicContact CB-CD1 4.44Å; V207-L556 HydrophobicContact CG2-CD1 4.12Å; I550-L556 HydrophobicContact CB-CG 4.44Å; I550-L556 HydrophobicContact CD1-CD2 3.94Å; I550-L556 HydrophobicContact CG2-CG 4.43Å; S552-L556 PolarHBondContact O-N 3.45Å; I553-L556 PolarHBondContact O-N 3.35Å; L556-L559 WeakPolarHBondContact O-CB 3.48Å; L556-L559 PolarHBondContact O-N 2.87Å; L556-I560 WeakPolarHBondContact O-CG1 3.38Å; L556-I560 PolarHBondContact O-N 3.38Å
557	T	90.6	Very high	90.4	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.9	-52.8	-171.7	-70.3	0	0	0	0	113.7	G404 I405 P408 I553 Y555 L559 I560 T561	G404-T557 WeakPolarHBondContact O-CG2 3.49Å; I405-T557 HydrophobicContact CB-CG2 4.43Å; I405-T557 VanDerWaalsContact O-CG2 3.31Å; I405-T557 WeakPolarHBondContact O-CG2 3.2Å; P408-T557 VanDerWaalsContact CD-CG2 3.43Å; P408-T557 HydrophobicContact CG-CG2 3.35Å; I553-T557 WeakPolarHBondContact O-CB 3.47Å; I553-T557 PolarHBondContact O-N 3.45Å; I553-T557 PolarHBondContact O-OG1 2.92Å; Y555-T557 VanDerWaalsContact C-N 3.31Å; T557-L559 PolarHBondContact O-N 3.45Å; T557-L559 VanDerWaalsContact O-N 3.15Å; T557-I560 WeakPolarHBondContact O-CB 3.41Å; T557-I560 PolarHBondContact O-N 3.48Å; T557-T561 PolarHBondContact O-N 3.17Å; T557-T561 PolarHBondContact O-OG1 2.9Å; T557-T561 VanDerWaalsContact O-OG1 3.13Å
558	P	86	Confident	90.5	Very high	29 Å²	29	22.8 Å²	22.8	19%	0.188	11%	0.111	C	C	.	.	H	α-helix	trans	-56.7	-33.1	178.5	-27.8	35.4	0	0	0	113.3	D554 T561 M562	D554-P558 WeakPolarHBondContact O-CD 3.43Å; P558-T561 WeakPolarHBondContact O-CB 3.43Å; P558-T561 PolarHBondContact O-N 2.86Å; P558-M562 WeakPolarHBondContact O-CG 3.49Å; P558-M562 PolarHBondContact O-N 2.77Å
559	L	87.4	Confident	90.5	Very high	71 Å²	71	22.9 Å²	22.9	37%	0.372	11%	0.112	S	C	.	.	H	α-helix	trans	-64.9	-45.4	176	-176.8	63.7	0	0	0	111.7	I200 L556 T557 T561 M562 F563	I200-L559 HydrophobicContact CD1-CD2 3.94Å; I200-L559 HydrophobicContact CD1-CG 4.2Å; I200-L559 HydrophobicContact CG2-CD2 4.24Å; L556-L559 WeakPolarHBondContact O-CB 3.48Å; L556-L559 PolarHBondContact O-N 2.87Å; T557-L559 PolarHBondContact O-N 3.45Å; T557-L559 VanDerWaalsContact O-N 3.15Å; L559-T561 VanDerWaalsContact C-N 3.33Å; L559-M562 PolarHBondContact O-N 2.84Å; L559-F563 HydrophobicContact CD1-CD2 4.42Å; L559-F563 HydrophobicContact CD1-CE2 3.66Å; L559-F563 HydrophobicContact CD1-CZ 4.32Å; L559-F563 HydrophobicContact CG-CD2 4.33Å; L559-F563 HydrophobicContact CG-CE2 3.83Å; L559-F563 WeakPolarHBondContact O-CD2 3.22Å; L559-F563 PolarHBondContact O-N 3.48Å
560	I	91.8	Very high	90.5	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-61.5	-44.5	175	-67.8	166	0	0	0	110.4	I200 A201 M204 P408 L556 T557 M562 F563 F564	I200-I560 HydrophobicContact CB-CG1 4.1Å; I200-I560 HydrophobicContact CG2-CD1 4.03Å; I200-I560 HydrophobicContact CG2-CG1 3.54Å; A201-I560 HydrophobicContact CB-CD1 4.39Å; M204-I560 HydrophobicContact CB-CD1 3.58Å; M204-I560 HydrophobicContact CE-CD1 4.43Å; M204-I560 HydrophobicContact CG-CD1 4.08Å; M204-I560 HydrophobicContact SD-CD1 3.6Å; M204-I560 VanDerWaalsContact SD-CD1 3.6Å; P408-I560 HydrophobicContact CB-CG2 4.11Å; P408-I560 HydrophobicContact CG-CB 4.33Å; P408-I560 HydrophobicContact CG-CG2 4.08Å; L556-I560 WeakPolarHBondContact O-CG1 3.38Å; L556-I560 PolarHBondContact O-N 3.38Å; T557-I560 WeakPolarHBondContact O-CB 3.41Å; T557-I560 PolarHBondContact O-N 3.48Å; I560-M562 VanDerWaalsContact C-N 3.3Å; I560-M562 PolarHBondContact O-N 3.43Å; I560-F563 PolarHBondContact O-N 2.96Å; I560-F564 HydrophobicContact CG2-CD2 3.48Å; I560-F564 VanDerWaalsContact CG2-CD2 3.48Å; I560-F564 HydrophobicContact CG2-CE2 3.66Å; I560-F564 WeakPolarHBondContact O-CD2 3.39Å; I560-F564 PolarHBondContact O-N 2.88Å
561	T	91.7	Very high	90.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-55.9	-42.7	177.6	-62.2	0	0	0	0	112	G404 F407 P408 T557 P558 L559 L565	G404-T561 PolarHBondContact O-OG1 3.38Å; F407-T561 HydrophobicContact CB-CG2 3.68Å; F407-T561 HydrophobicContact CD1-CG2 3.65Å; F407-T561 HydrophobicContact CE1-CG2 4.49Å; F407-T561 HydrophobicContact CG-CG2 3.76Å; P408-T561 WeakPolarHBondContact CD-OG1 3.47Å; T557-T561 PolarHBondContact O-N 3.17Å; T557-T561 PolarHBondContact O-OG1 2.9Å; T557-T561 VanDerWaalsContact O-OG1 3.13Å; P558-T561 WeakPolarHBondContact O-CB 3.43Å; P558-T561 PolarHBondContact O-N 2.86Å; L559-T561 VanDerWaalsContact C-N 3.33Å; T561-L565 HydrophobicContact CG2-CD1 3.6Å; T561-L565 HydrophobicContact CG2-CG 4.22Å; T561-L565 VanDerWaalsContact O-CB 3.26Å; T561-L565 WeakPolarHBondContact O-CB 3.43Å; T561-L565 VanDerWaalsContact O-CG 3.27Å; T561-L565 WeakPolarHBondContact O-CG 3.36Å; T561-L565 PolarHBondContact O-N 3.37Å
562	M	90.5	Very high	91.1	Very high	13 Å²	13	16 Å²	16	6%	0.064	8%	0.075	C	C	.	.	H	α-helix	trans	-60.1	-49.3	175.9	-69.1	-58.1	103.1	0	0	112.5	P558 L559 I560 M566 S612	P558-M562 WeakPolarHBondContact O-CG 3.49Å; P558-M562 PolarHBondContact O-N 2.77Å; L559-M562 PolarHBondContact O-N 2.84Å; I560-M562 VanDerWaalsContact C-N 3.3Å; I560-M562 PolarHBondContact O-N 3.43Å; M562-M566 WeakPolarHBondContact O-CB 3.47Å; M562-M566 PolarHBondContact O-N 2.95Å; M562-M566 VanDerWaalsContact O-N 3.09Å; M562-S612 VanDerWaalsContact CE-CB 3.45Å; M562-S612 WeakPolarHBondContact CE-OG 3.29Å
563	F	91.4	Very high	91.5	Very high	41 Å²	41	17.2 Å²	17.2	18%	0.18	8%	0.081	C	C	.	.	H	α-helix	trans	-65	-43.4	-178.1	-70.9	-62.1	0	0	0	112.5	L193 L196 I200 L559 I560 M566 C567	L193-F563 HydrophobicContact CD2-CD1 4.18Å; L196-F563 HydrophobicContact CB-CD1 4.23Å; L196-F563 HydrophobicContact CB-CE1 4.22Å; L196-F563 HydrophobicContact CB-CG 4.5Å; L196-F563 HydrophobicContact CB-CZ 4.46Å; L196-F563 HydrophobicContact CD1-CE1 3.98Å; L196-F563 HydrophobicContact CD1-CZ 4.46Å; I200-F563 HydrophobicContact CD1-CD2 3.81Å; I200-F563 HydrophobicContact CD1-CE2 3.36Å; I200-F563 HydrophobicContact CD1-CZ 4.29Å; L559-F563 HydrophobicContact CD1-CD2 4.42Å; L559-F563 HydrophobicContact CD1-CE2 3.66Å; L559-F563 HydrophobicContact CD1-CZ 4.32Å; L559-F563 HydrophobicContact CG-CD2 4.33Å; L559-F563 HydrophobicContact CG-CE2 3.83Å; L559-F563 WeakPolarHBondContact O-CD2 3.22Å; L559-F563 PolarHBondContact O-N 3.48Å; I560-F563 PolarHBondContact O-N 2.96Å; F563-M566 PolarHBondContact O-N 3.23Å; F563-C567 WeakPolarHBondContact O-CB 3.37Å; F563-C567 PolarHBondContact O-N 3.46Å
564	F	92.6	Very high	91.7	Very high	7 Å²	7	17.2 Å²	17.2	3%	0.031	8%	0.081	C	C	.	.	H	α-helix	trans	-71.5	-41.2	180	-83.3	-73.1	0	0	0	113.1	F194 F407 T411 I560 M566 C567 Y568	F194-F564 AromaticContact CD2-CE1 3.73Å; F194-F564 HydrophobicContact CD2-CE1 3.73Å; F194-F564 HydrophobicContact CD2-CZ 4.4Å; F194-F564 AromaticContact CE2-CE1 3.76Å; F194-F564 HydrophobicContact CE2-CE1 3.76Å; F194-F564 HydrophobicContact CE2-CZ 4.34Å; F407-F564 HydrophobicContact CE1-CB 4.04Å; T411-F564 HydrophobicContact CG2-CB 3.9Å; T411-F564 HydrophobicContact CG2-CD1 4.27Å; T411-F564 HydrophobicContact CG2-CD2 3.95Å; T411-F564 HydrophobicContact CG2-CG 3.78Å; I560-F564 HydrophobicContact CG2-CD2 3.48Å; I560-F564 VanDerWaalsContact CG2-CD2 3.48Å; I560-F564 HydrophobicContact CG2-CE2 3.66Å; I560-F564 WeakPolarHBondContact O-CD2 3.39Å; I560-F564 PolarHBondContact O-N 2.88Å; F564-M566 PolarHBondContact O-N 2.93Å; F564-C567 WeakPolarHBondContact O-CB 3.43Å; F564-C567 PolarHBondContact O-N 3.25Å; F564-Y568 HydrophobicContact CB-CE2 4.32Å; F564-Y568 HydrophobicContact CD1-CE1 4.22Å; F564-Y568 AromaticContact CD1-CZ 3.96Å; F564-Y568 WeakPolarHBondContact O-CB 3.35Å; F564-Y568 WeakPolarHBondContact O-CD2 3.43Å; F564-Y568 PolarHBondContact O-N 3.16Å
565	L	93.7	Very high	91.9	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-59.9	-33.8	172.9	-75.7	172.2	0	0	0	111.1	F407 T561 G569 C605 L608 M609	F407-L565 HydrophobicContact CD1-CG 4.32Å; F407-L565 HydrophobicContact CD2-CD2 4.29Å; F407-L565 HydrophobicContact CE1-CD2 3.93Å; F407-L565 HydrophobicContact CE1-CG 3.76Å; F407-L565 HydrophobicContact CE2-CD2 3.5Å; F407-L565 VanDerWaalsContact CE2-CD2 3.5Å; F407-L565 HydrophobicContact CE2-CG 4.16Å; F407-L565 HydrophobicContact CZ-CD2 3.28Å; F407-L565 HydrophobicContact CZ-CG 3.68Å; T561-L565 HydrophobicContact CG2-CD1 3.6Å; T561-L565 HydrophobicContact CG2-CG 4.22Å; T561-L565 VanDerWaalsContact O-CB 3.26Å; T561-L565 WeakPolarHBondContact O-CB 3.43Å; T561-L565 VanDerWaalsContact O-CG 3.27Å; T561-L565 WeakPolarHBondContact O-CG 3.36Å; T561-L565 PolarHBondContact O-N 3.37Å; L565-G569 PolarHBondContact O-N 3.18Å; L565-C605 HydrophobicContact CD2-CB 4.46Å; L565-L608 HydrophobicContact CD1-CB 3.76Å; L565-L608 HydrophobicContact CD2-CB 4.09Å; L565-L608 HydrophobicContact CD2-CD1 4.08Å; L565-M609 HydrophobicContact CB-CE 3.57Å; L565-M609 HydrophobicContact CB-CG 3.72Å; L565-M609 HydrophobicContact CD1-CG 3.85Å; L565-M609 HydrophobicContact CG-CG 4.42Å
566	M	92.5	Very high	92.3	Very high	4 Å²	4	11.8 Å²	11.8	2%	0.02	6%	0.061	C	C	.	.	H	α-helix	trans	-72.5	-44.5	-179.5	-165.7	163.3	-71.7	0	0	111.7	L193 M562 F563 F564 Y568 G569 F570 M609 A620 W621 A624	L193-M566 HydrophobicContact CD1-CB 4.14Å; L193-M566 HydrophobicContact CD1-CG 3.63Å; L193-M566 HydrophobicContact CD1-SD 4.06Å; L193-M566 HydrophobicContact CD2-CB 4.49Å; L193-M566 HydrophobicContact CD2-CG 4.28Å; L193-M566 HydrophobicContact CD2-SD 3.85Å; M562-M566 WeakPolarHBondContact O-CB 3.47Å; M562-M566 PolarHBondContact O-N 2.95Å; M562-M566 VanDerWaalsContact O-N 3.09Å; F563-M566 PolarHBondContact O-N 3.23Å; F564-M566 PolarHBondContact O-N 2.93Å; M566-Y568 VanDerWaalsContact C-N 3.34Å; M566-Y568 PolarHBondContact O-N 3.42Å; M566-G569 PolarHBondContact O-N 3.38Å; M566-F570 PolarHBondContact O-N 3.17Å; M566-M609 HydrophobicContact CB-CE 3.4Å; M566-M609 HydrophobicContact CE-CE 3.84Å; M566-M609 HydrophobicContact CE-SD 4.36Å; M566-M609 HydrophobicContact CG-CE 4.08Å; M566-A620 VanDerWaalsContact CE-C 3.46Å; M566-A620 HydrophobicContact CE-CB 3.22Å; M566-A620 HydrophobicContact SD-CB 4.04Å; M566-W621 HydrophobicContact CE-CG 4.24Å; M566-A624 HydrophobicContact SD-CB 3.55Å; M566-A624 VanDerWaalsContact SD-CB 3.55Å
567	C	93	Very high	92.4	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-54.3	-51.2	171.8	178.5	0	0	0	0	110.9	L193 M414 F563 F564 F570 V571	L193-C567 HydrophobicContact CB-CB 4.39Å; M414-C567 VanDerWaalsContact CE-SG 3.52Å; F563-C567 WeakPolarHBondContact O-CB 3.37Å; F563-C567 PolarHBondContact O-N 3.46Å; F564-C567 WeakPolarHBondContact O-CB 3.43Å; F564-C567 PolarHBondContact O-N 3.25Å; C567-F570 PolarHBondContact O-N 3.44Å; C567-V571 WeakPolarHBondContact O-CG2 3.45Å; C567-V571 PolarHBondContact O-N 2.99Å
568	Y	94.6	Very high	92.3	Very high	1 Å²	1	14.7 Å²	14.7	0%	0.004	8%	0.076	C	C	.	.	H	α-helix	trans	-66.5	-39.1	179.3	-61.1	-15.6	0	0	0	112.6	T153 T156 F407 I413 M414 F564 M566 F570 V571 N572	T153-Y568 HydrophobicContact CG2-CE2 4.16Å; T156-Y568 HydrophobicContact CG2-CD1 3.83Å; T156-Y568 HydrophobicContact CG2-CG 3.83Å; F407-Y568 HydrophobicContact CE1-CE2 4.32Å; F407-Y568 HydrophobicContact CZ-CD2 4.06Å; F407-Y568 HydrophobicContact CZ-CE2 4.01Å; I413-Y568 HydrophobicContact CD1-CD1 4.46Å; I413-Y568 HydrophobicContact CD1-CE1 3.99Å; I413-Y568 HydrophobicContact CG1-CE1 4.01Å; M414-Y568 HydrophobicContact CE-CD1 4Å; M414-Y568 HydrophobicContact CE-CE1 4.04Å; F564-Y568 HydrophobicContact CB-CE2 4.32Å; F564-Y568 HydrophobicContact CD1-CE1 4.22Å; F564-Y568 AromaticContact CD1-CZ 3.96Å; F564-Y568 WeakPolarHBondContact O-CB 3.35Å; F564-Y568 WeakPolarHBondContact O-CD2 3.43Å; F564-Y568 PolarHBondContact O-N 3.16Å; M566-Y568 VanDerWaalsContact C-N 3.34Å; M566-Y568 PolarHBondContact O-N 3.42Å; Y568-F570 PolarHBondContact O-N 3.4Å; Y568-V571 PolarHBondContact O-N 3.38Å; Y568-N572 WeakPolarHBondContact O-CB 3.49Å; Y568-N572 PolarHBondContact O-N 2.91Å; Y568-N572 PolarHBondContact O-ND2 2.88Å; Y568-N572 VanDerWaalsContact O-ND2 3.13Å
569	G	94.2	Very high	92.5	Very high	2 Å²	2	14.2 Å²	14.2	2%	0.021	8%	0.076	C	C	.	.	H	α-helix	trans	-57.6	-47.3	173.4	0	0	0	0	0	112.2	L565 M566 N572 L573 L602	L565-G569 PolarHBondContact O-N 3.18Å; M566-G569 PolarHBondContact O-N 3.38Å; G569-N572 PolarHBondContact O-N 3.4Å; G569-L573 WeakPolarHBondContact O-CB 3.4Å; G569-L573 PolarHBondContact O-N 2.88Å; G569-L602 WeakPolarHBondContact O-CD1 3.24Å
570	F	93.4	Very high	92.6	Very high	12 Å²	12	17.1 Å²	17.1	5%	0.053	9%	0.086	C	C	.	.	H	α-helix	trans	-68.6	-36.6	177.7	-80	-19.5	0	0	0	114.4	A189 V190 L193 M566 C567 Y568 N572 L573 A574 W621 A624	A189-F570 HydrophobicContact CB-CD2 4.47Å; A189-F570 HydrophobicContact CB-CE2 4.27Å; V190-F570 HydrophobicContact CG2-CB 3.67Å; V190-F570 HydrophobicContact CG2-CD2 4.37Å; L193-F570 HydrophobicContact CD1-CD2 3.67Å; L193-F570 HydrophobicContact CD1-CE2 3.74Å; M566-F570 PolarHBondContact O-N 3.17Å; C567-F570 PolarHBondContact O-N 3.44Å; Y568-F570 PolarHBondContact O-N 3.4Å; F570-N572 VanDerWaalsContact C-N 3.32Å; F570-L573 HydrophobicContact CD1-CD2 4.18Å; F570-L573 PolarHBondContact O-N 3.37Å; F570-A574 VanDerWaalsContact O-CB 3.31Å; F570-A574 WeakPolarHBondContact O-CB 3.46Å; F570-A574 PolarHBondContact O-N 3.49Å; F570-W621 HydrophobicContact CE1-CE3 4.47Å; F570-W621 HydrophobicContact CE1-CH2 4.25Å; F570-W621 HydrophobicContact CE1-CZ3 4.03Å; F570-A624 HydrophobicContact CE2-CB 3.62Å; F570-A624 HydrophobicContact CZ-CB 3.53Å
571	V	93.7	Very high	92.4	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.006	11%	0.113	C	C	.	.	H	α-helix	trans	-59.3	-47.4	172.1	168.1	0	0	0	0	110.2	T156 M160 I163 I178 V190 M414 C567 Y568 A574 T575	T156-V571 HydrophobicContact CG2-CG1 4.32Å; M160-V571 HydrophobicContact CG-CG1 4.01Å; M160-V571 HydrophobicContact SD-CG1 3.74Å; M160-V571 HydrophobicContact SD-CG2 4.22Å; I163-V571 HydrophobicContact CD1-CG1 3.83Å; I178-V571 HydrophobicContact CD1-CG2 4.42Å; V190-V571 HydrophobicContact CG1-CG2 4.03Å; V190-V571 HydrophobicContact CG2-CG2 4.4Å; M414-V571 HydrophobicContact CE-CG2 3.86Å; C567-V571 WeakPolarHBondContact O-CG2 3.45Å; C567-V571 PolarHBondContact O-N 2.99Å; Y568-V571 PolarHBondContact O-N 3.38Å; V571-A574 PolarHBondContact O-N 3.46Å; V571-T575 WeakPolarHBondContact O-CG2 3.49Å; V571-T575 PolarHBondContact O-N 3Å; V571-T575 VanDerWaalsContact O-N 3.15Å; V571-T575 PolarHBondContact O-OG1 2.97Å
572	N	95.6	Very high	91.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-66.8	-37.4	178.4	-72.8	-33	0	0	0	112.9	T156 S159 Y568 G569 F570 T575 M576 S598 L602	T156-N572 PolarHBondContact OG1-ND2 3.38Å; S159-N572 VanDerWaalsContact CB-OD1 3.26Å; S159-N572 WeakPolarHBondContact CB-OD1 3.43Å; S159-N572 PolarHBondContact OG-OD1 3.02Å; Y568-N572 WeakPolarHBondContact O-CB 3.49Å; Y568-N572 PolarHBondContact O-N 2.91Å; Y568-N572 PolarHBondContact O-ND2 2.88Å; Y568-N572 VanDerWaalsContact O-ND2 3.13Å; G569-N572 PolarHBondContact O-N 3.4Å; F570-N572 VanDerWaalsContact C-N 3.32Å; N572-T575 PolarHBondContact O-OG1 3.14Å; N572-M576 VanDerWaalsContact O-CB 3.23Å; N572-M576 WeakPolarHBondContact O-CB 3.42Å; N572-M576 PolarHBondContact O-N 3.27Å; N572-S598 WeakPolarHBondContact CB-O 3.4Å; N572-S598 WeakPolarHBondContact O-CB 3.42Å; N572-L602 HydrophobicContact CB-CB 4.11Å
573	L	94.7	Very high	91.1	Very high	35 Å²	35	32.9 Å²	32.9	18%	0.183	16%	0.16	C	C	.	.	H	α-helix	trans	-64.1	-46.1	175.4	176.5	62.6	0	0	0	111.4	G569 F570 M576 L577 L602	G569-L573 WeakPolarHBondContact O-CB 3.4Å; G569-L573 PolarHBondContact O-N 2.88Å; F570-L573 HydrophobicContact CD1-CD2 4.18Å; F570-L573 PolarHBondContact O-N 3.37Å; L573-M576 HydrophobicContact CD1-CE 3.84Å; L573-M576 PolarHBondContact O-N 3.28Å; L573-L577 HydrophobicContact CD1-CD1 3.91Å; L573-L577 HydrophobicContact CD1-CG 4.04Å; L573-L577 HydrophobicContact CG-CD1 3.96Å; L573-L577 HydrophobicContact CG-CG 4.45Å; L573-L577 WeakPolarHBondContact O-CB 3.35Å; L573-L577 WeakPolarHBondContact O-CG 3.39Å; L573-L577 PolarHBondContact O-N 2.93Å; L573-L602 HydrophobicContact CB-CD1 4.14Å; L573-L602 HydrophobicContact CB-CD2 4.13Å; L573-L602 HydrophobicContact CD1-CD2 3.76Å
574	A	92.7	Very high	90.2	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.008	18%	0.177	C	C	.	.	H	α-helix	trans	-62.2	-48.4	-179.7	0	0	0	0	0	112.2	I182 F186 F570 V571 M576 L577 N578	I182-A574 HydrophobicContact CD1-CB 3.71Å; I182-A574 HydrophobicContact CG1-CB 4.26Å; I182-A574 HydrophobicContact CG2-CB 3.56Å; F186-A574 HydrophobicContact CD1-CB 3.91Å; F186-A574 HydrophobicContact CE1-CB 4.09Å; F186-A574 HydrophobicContact CG-CB 4.13Å; F186-A574 HydrophobicContact CZ-CB 4.47Å; F570-A574 VanDerWaalsContact O-CB 3.31Å; F570-A574 WeakPolarHBondContact O-CB 3.46Å; F570-A574 PolarHBondContact O-N 3.49Å; V571-A574 PolarHBondContact O-N 3.46Å; A574-M576 VanDerWaalsContact C-N 3.33Å; A574-M576 PolarHBondContact O-N 3.46Å; A574-L577 PolarHBondContact O-N 3.45Å; A574-N578 WeakPolarHBondContact O-CB 3.4Å; A574-N578 VanDerWaalsContact O-CG 3.27Å; A574-N578 PolarHBondContact O-N 3.47Å; A574-N578 PolarHBondContact O-OD1 3.08Å
575	T	93.3	Very high	89.4	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.5	-39.9	178.3	56.9	0	0	0	0	111.4	S159 I163 V571 N572 G579 W586 Y593 S598	S159-T575 PolarHBondContact OG-OG1 3.2Å; I163-T575 HydrophobicContact CD1-CG2 3.85Å; I163-T575 HydrophobicContact CG1-CG2 3.71Å; V571-T575 WeakPolarHBondContact O-CG2 3.49Å; V571-T575 PolarHBondContact O-N 3Å; V571-T575 VanDerWaalsContact O-N 3.15Å; V571-T575 PolarHBondContact O-OG1 2.97Å; N572-T575 PolarHBondContact O-OG1 3.14Å; T575-G579 PolarHBondContact O-N 2.95Å; T575-W586 HydrophobicContact CG2-CH2 3.7Å; T575-W586 HydrophobicContact CG2-CZ2 3.9Å; T575-Y593 PolarHBondContact O-OH 2.76Å; T575-S598 VanDerWaalsContact OG1-CB 3.23Å; T575-S598 WeakPolarHBondContact OG1-CB 3.37Å; T575-S598 PolarHBondContact OG1-OG 3.26Å
576	M	95.2	Very high	89	Confident	29 Å²	29	39.4 Å²	39.4	14%	0.143	21%	0.207	C	C	.	.	H	α-helix	trans	-59.2	-50.7	174.2	-177.7	-155.2	78.6	0	0	112	N572 L573 A574 G579 F580 W595 F599 L602	N572-M576 VanDerWaalsContact O-CB 3.23Å; N572-M576 WeakPolarHBondContact O-CB 3.42Å; N572-M576 PolarHBondContact O-N 3.27Å; L573-M576 HydrophobicContact CD1-CE 3.84Å; L573-M576 PolarHBondContact O-N 3.28Å; A574-M576 VanDerWaalsContact C-N 3.33Å; A574-M576 PolarHBondContact O-N 3.46Å; M576-G579 PolarHBondContact O-N 3.27Å; M576-F580 VanDerWaalsContact O-CB 3.28Å; M576-F580 WeakPolarHBondContact O-CB 3.37Å; M576-F580 PolarHBondContact O-N 2.83Å; M576-W595 HydrophobicContact CG-CE3 4.31Å; M576-F599 HydrophobicContact CG-CB 4.05Å; M576-F599 HydrophobicContact SD-CB 3.83Å; M576-F599 HydrophobicContact SD-CD2 3.55Å; M576-F599 VanDerWaalsContact SD-CD2 3.55Å; M576-F599 HydrophobicContact SD-CG 4.13Å; M576-L602 HydrophobicContact SD-CD2 4.34Å
577	L	91.8	Very high	88.8	Confident	56 Å²	56	48.1 Å²	48.1	29%	0.293	24%	0.24	S	C	.	.	H	α-helix	trans	-62.5	-47.8	-178.6	-74.9	173.7	0	0	0	111.8	F186 L573 A574 G579 F580 L581	F186-L577 HydrophobicContact CZ-CD1 4.2Å; L573-L577 HydrophobicContact CD1-CD1 3.91Å; L573-L577 HydrophobicContact CD1-CG 4.04Å; L573-L577 HydrophobicContact CG-CD1 3.96Å; L573-L577 HydrophobicContact CG-CG 4.45Å; L573-L577 WeakPolarHBondContact O-CB 3.35Å; L573-L577 WeakPolarHBondContact O-CG 3.39Å; L573-L577 PolarHBondContact O-N 2.93Å; A574-L577 PolarHBondContact O-N 3.45Å; L577-G579 VanDerWaalsContact C-N 3.29Å; L577-G579 PolarHBondContact O-N 2.76Å; L577-F580 PolarHBondContact O-N 3.44Å; L577-L581 WeakPolarHBondContact O-CB 3.26Å; L577-L581 WeakPolarHBondContact O-CG 3.49Å; L577-L581 PolarHBondContact O-N 3.28Å
578	N	89.5	Confident	88.6	Confident	5 Å²	5	49.8 Å²	49.8	3%	0.027	25%	0.25	C	S	.	.	H	α-helix	trans	-67	-34.4	-178.5	-64.7	2.6	0	0	0	111.3	A574 K582 E583 W586	A574-N578 WeakPolarHBondContact O-CB 3.4Å; A574-N578 VanDerWaalsContact O-CG 3.27Å; A574-N578 PolarHBondContact O-N 3.47Å; A574-N578 PolarHBondContact O-OD1 3.08Å; N578-K582 PolarHBondContact O-N 3.18Å; N578-E583 PolarHBondContact ND2-OE2 3.24Å; N578-E583 PolarHBondContact O-N 2.99Å; N578-E583 PolarHBondContact OD1-OE1 3.28Å; N578-E583 PolarHBondContact OD1-OE2 3.4Å; N578-E583 VanDerWaalsContact OD1-OE2 3.11Å; N578-W586 HydrophobicContact CB-CB 3.95Å; N578-W586 HydrophobicContact CB-CD2 3.66Å; N578-W586 HydrophobicContact CB-CE3 4.09Å; N578-W586 HydrophobicContact CB-CG 3.56Å
579	G	88.8	Confident	88.3	Confident	19 Å²	19	58 Å²	58	20%	0.196	28%	0.281	C	S	.	.	H	α-helix	trans	-67.6	-40.8	171.7	0	0	0	0	0	113.5	T575 M576 L577	T575-G579 PolarHBondContact O-N 2.95Å; M576-G579 PolarHBondContact O-N 3.27Å; L577-G579 VanDerWaalsContact C-N 3.29Å; L577-G579 PolarHBondContact O-N 2.76Å
580	F	90.3	Very high	88.1	Confident	132 Å²	132	59.7 Å²	59.7	58%	0.579	29%	0.288	S	S	*	.	H	α-helix	trans	-73.9	-44.2	-178.5	-179	-101	0	0	0	112.7	M576 L577 K582	M576-F580 VanDerWaalsContact O-CB 3.28Å; M576-F580 WeakPolarHBondContact O-CB 3.37Å; M576-F580 PolarHBondContact O-N 2.83Å; L577-F580 PolarHBondContact O-N 3.44Å; F580-K582 PolarHBondContact O-N 3.29Å
581	L	86.7	Confident	87.9	Confident	107 Å²	107	69.8 Å²	69.8	56%	0.56	33%	0.326	S	S	*	.	H	α-helix	trans	-77.2	-8.2	179.8	-66.4	174.6	0	0	0	113.5	L577 E583	L577-L581 WeakPolarHBondContact O-CB 3.26Å; L577-L581 WeakPolarHBondContact O-CG 3.49Å; L577-L581 PolarHBondContact O-N 3.28Å; L581-E583 VanDerWaalsContact C-N 3.32Å; L581-E583 HydrophobicContact CB-CG 4.38Å; L581-E583 PolarHBondContact O-N 2.82Å
582	K	80.1	Confident	87.8	Confident	180 Å²	180	76.4 Å²	76.4	78%	0.783	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	51.5	-176	-60.3	-177.3	-179.8	-179.4	0	111.7	N578 F580	N578-K582 PolarHBondContact O-N 3.18Å; F580-K582 PolarHBondContact O-N 3.29Å
583	E	75.6	Confident	87.6	Confident	58 Å²	58	78 Å²	78	27%	0.271	36%	0.361	S	S	.	.			trans	-56.3	132.9	178.8	-74.5	-175.7	170.3	0	0	110.7	N578 L581 S585 W586	N578-E583 PolarHBondContact ND2-OE2 3.24Å; N578-E583 PolarHBondContact O-N 2.99Å; N578-E583 PolarHBondContact OD1-OE1 3.28Å; N578-E583 PolarHBondContact OD1-OE2 3.4Å; N578-E583 VanDerWaalsContact OD1-OE2 3.11Å; L581-E583 VanDerWaalsContact C-N 3.32Å; L581-E583 HydrophobicContact CB-CG 4.38Å; L581-E583 PolarHBondContact O-N 2.82Å; E583-S585 PolarHBondContact O-N 2.82Å; E583-S585 VanDerWaalsContact O-N 3.1Å; E583-W586 HydrophobicContact CB-CB 4.06Å; E583-W586 PolarHBondContact O-N 3.32Å
584	P	71.4	Confident	87.5	Confident	84 Å²	84	80.9 Å²	80.9	55%	0.545	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-29.9	-174.1	-27.4	34.6	0	0	0	115	R587	P584-R587 PolarHBondContact O-NE 3.45Å; P584-R587 PolarHBondContact O-NH2 2.97Å
585	S	77.3	Confident	87.6	Confident	84 Å²	84	85.5 Å²	85.5	59%	0.587	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-17.3	177.7	51.7	0	0	0	0	113.7	N166 E583 R587	N166-S585 PolarHBondContact ND2-O 3.17Å; N166-S585 PolarHBondContact OD1-O 2.97Å; E583-S585 PolarHBondContact O-N 2.82Å; E583-S585 VanDerWaalsContact O-N 3.1Å; S585-R587 PolarHBondContact O-N 3.12Å
586	W	83.9	Confident	87.7	Confident	18 Å²	18	90.4 Å²	90.4	7%	0.068	41%	0.412	C	S	.	.			trans	-93	99.3	-177.3	-174.5	-101.7	0	0	0	110.9	A162 I163 N166 I182 T575 N578 E583 P588	A162-W586 HydrophobicContact CB-CZ2 4.19Å; I163-W586 HydrophobicContact CG1-CH2 3.78Å; I163-W586 HydrophobicContact CG1-CZ3 4.27Å; N166-W586 HydrophobicContact CB-CE3 4.43Å; N166-W586 HydrophobicContact CB-CZ3 4.23Å; N166-W586 VanDerWaalsContact ND2-CE3 3.26Å; I182-W586 HydrophobicContact CG1-CZ3 4.03Å; T575-W586 HydrophobicContact CG2-CH2 3.7Å; T575-W586 HydrophobicContact CG2-CZ2 3.9Å; N578-W586 HydrophobicContact CB-CB 3.95Å; N578-W586 HydrophobicContact CB-CD2 3.66Å; N578-W586 HydrophobicContact CB-CE3 4.09Å; N578-W586 HydrophobicContact CB-CG 3.56Å; E583-W586 HydrophobicContact CB-CB 4.06Å; E583-W586 PolarHBondContact O-N 3.32Å; W586-P588 HydrophobicContact CZ2-CB 4.43Å; W586-P588 HydrophobicContact CZ2-CG 4.25Å
587	R	88.9	Confident	87.6	Confident	187 Å²	187	92 Å²	92	71%	0.706	42%	0.421	S	S	*	.			trans	-134.5	65.7	-179.2	-58.6	-176.5	-168	-175	1.2	111.1	N166 P584 S585 R589	N166-R587 PolarHBondContact OD1-N 2.94Å; P584-R587 PolarHBondContact O-NE 3.45Å; P584-R587 PolarHBondContact O-NH2 2.97Å; S585-R587 PolarHBondContact O-N 3.12Å; R587-R589 PolarHBondContact O-N 3.33Å
588	P	88.4	Confident	87.8	Confident	34 Å²	34	89.4 Å²	89.4	22%	0.221	41%	0.407	C	S	.	.			trans	-62.6	127.4	-179.3	27.2	-34.5	0	0	0	110.3	A162 W586 Y593	A162-P588 HydrophobicContact CB-CB 3.94Å; W586-P588 HydrophobicContact CZ2-CB 4.43Å; W586-P588 HydrophobicContact CZ2-CG 4.25Å; P588-Y593 HydrophobicContact CB-CD1 4.11Å; P588-Y593 HydrophobicContact CB-CE1 4.46Å; P588-Y593 HydrophobicContact CG-CD1 3.58Å; P588-Y593 HydrophobicContact CG-CE1 3.62Å
589	R	89.1	Confident	88.2	Confident	175 Å²	175	93 Å²	93	66%	0.66	42%	0.423	S	S	*	.			trans	-87.4	-3.7	177.4	-69.4	-171.9	-71.9	175	1	113.6	Q427 R587 R591	Q427-R589 VanDerWaalsContact CD-NH2 3.32Å; R587-R589 PolarHBondContact O-N 3.33Å; R589-R591 PolarHBondContact O-N 3.39Å
590	F	89.2	Confident	88.6	Confident	36 Å²	36	94.8 Å²	94.8	16%	0.158	43%	0.43	C	S	.	.			trans	-72.4	120.1	-177.4	-172.6	-119.7	0	0	0	112.3	L158 T165 P431 I435 F592 Y593	L158-F590 HydrophobicContact CD2-CE1 3.81Å; L158-F590 HydrophobicContact CD2-CZ 4.27Å; T165-F590 HydrophobicContact CG2-CB 4.15Å; T165-F590 WeakPolarHBondContact OG1-CB 3.48Å; T165-F590 PolarHBondContact OG1-N 3.36Å; P431-F590 HydrophobicContact CB-CD2 4.36Å; P431-F590 HydrophobicContact CB-CE2 4.02Å; I435-F590 HydrophobicContact CD1-CZ 3.82Å; F590-F592 HydrophobicContact CD1-CB 4.35Å; F590-F592 HydrophobicContact CE1-CB 3.69Å; F590-F592 HydrophobicContact CE1-CD2 4.43Å; F590-F592 HydrophobicContact CE2-CD2 4.23Å; F590-F592 HydrophobicContact CZ-CB 3.98Å; F590-F592 AromaticContact CZ-CD2 3.87Å; F590-F592 HydrophobicContact CZ-CD2 3.87Å; F590-F592 HydrophobicContact CZ-CG 4.43Å; F590-F592 PolarHBondContact O-N 2.88Å; F590-Y593 WeakPolarHBondContact O-CB 3.49Å; F590-Y593 PolarHBondContact O-N 2.71Å
591	R	89.7	Confident	88.8	Confident	224 Å²	224	88.5 Å²	88.5	85%	0.845	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-35	-173.3	-176.6	177.7	174.9	177.6	-0.9	114.7	R589 Y593	R589-R591 PolarHBondContact O-N 3.39Å; R591-Y593 VanDerWaalsContact C-N 3.29Å; R591-Y593 PolarHBondContact O-N 3.22Å
592	F	90.9	Very high	89.3	Confident	140 Å²	140	84 Å²	84	61%	0.614	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	7.5	-177.2	-58	-72.3	0	0	0	113.4	L158 F590	L158-F592 HydrophobicContact CD2-CB 4.48Å; F590-F592 HydrophobicContact CD1-CB 4.35Å; F590-F592 HydrophobicContact CE1-CB 3.69Å; F590-F592 HydrophobicContact CE1-CD2 4.43Å; F590-F592 HydrophobicContact CE2-CD2 4.23Å; F590-F592 HydrophobicContact CZ-CB 3.98Å; F590-F592 AromaticContact CZ-CD2 3.87Å; F590-F592 HydrophobicContact CZ-CD2 3.87Å; F590-F592 HydrophobicContact CZ-CG 4.43Å; F590-F592 PolarHBondContact O-N 2.88Å
593	Y	91.8	Very high	90	Very high	34 Å²	34	78.1 Å²	78.1	13%	0.133	36%	0.36	C	S	.	.			trans	-83.8	133.1	175.6	173.3	-105.3	0	0	0	111.3	A162 T575 P588 F590 R591	A162-Y593 HydrophobicContact CB-CD1 4.18Å; A162-Y593 HydrophobicContact CB-CD2 3.31Å; A162-Y593 HydrophobicContact CB-CE2 3.73Å; A162-Y593 HydrophobicContact CB-CG 3.55Å; T575-Y593 PolarHBondContact O-OH 2.76Å; P588-Y593 HydrophobicContact CB-CD1 4.11Å; P588-Y593 HydrophobicContact CB-CE1 4.46Å; P588-Y593 HydrophobicContact CG-CD1 3.58Å; P588-Y593 HydrophobicContact CG-CE1 3.62Å; F590-Y593 WeakPolarHBondContact O-CB 3.49Å; F590-Y593 PolarHBondContact O-N 2.71Å; R591-Y593 VanDerWaalsContact C-N 3.29Å; R591-Y593 PolarHBondContact O-N 3.22Å
594	H	93.6	Very high	90.9	Very high	96 Å²	96	77 Å²	77	44%	0.444	36%	0.355	S	S	.	.			trans	-144	140	165.9	-170.8	-91.9	0	0	0	109.2	F596 L597	H594-F596 VanDerWaalsContact ND1-CB 3.27Å; H594-F596 WeakPolarHBondContact ND1-CB 3.37Å; H594-F596 PolarHBondContact ND1-N 3.25Å; H594-F596 PolarHBondContact O-N 3.35Å; H594-F596 VanDerWaalsContact O-N 3.12Å; H594-L597 HydrophobicContact CB-CD1 4.27Å; H594-L597 HydrophobicContact CB-CG 4.45Å; H594-L597 WeakPolarHBondContact O-CB 3.21Å; H594-L597 PolarHBondContact O-N 3.04Å
595	W	93.9	Very high	92	Very high	97 Å²	97	73 Å²	73	37%	0.367	33%	0.329	S	S	.	.	H	α-helix	trans	-56.6	-33.3	-176	69.6	-91.6	0	0	0	112.8	M576 L597 S598 F599	M576-W595 HydrophobicContact CG-CE3 4.31Å; W595-L597 PolarHBondContact O-N 3.29Å; W595-S598 PolarHBondContact O-N 3.09Å; W595-F599 PolarHBondContact O-N 2.97Å; W595-F599 VanDerWaalsContact O-N 3.09Å
596	F	95.6	Very high	92.7	Very high	103 Å²	103	71.4 Å²	71.4	45%	0.452	31%	0.314	S	S	.	.	H	α-helix	trans	-65.5	-33.9	177.3	-174	-104.7	0	0	0	113.2	H594 S598 F599 V600	H594-F596 VanDerWaalsContact ND1-CB 3.27Å; H594-F596 WeakPolarHBondContact ND1-CB 3.37Å; H594-F596 PolarHBondContact ND1-N 3.25Å; H594-F596 PolarHBondContact O-N 3.35Å; H594-F596 VanDerWaalsContact O-N 3.12Å; F596-S598 VanDerWaalsContact C-N 3.33Å; F596-S598 PolarHBondContact O-N 3.03Å; F596-F599 HydrophobicContact CD2-CD1 4.14Å; F596-F599 AromaticContact CE2-CD1 3.98Å; F596-F599 HydrophobicContact CE2-CD1 3.98Å; F596-F599 HydrophobicContact CE2-CE1 4.46Å; F596-F599 WeakPolarHBondContact O-CB 3.34Å; F596-F599 PolarHBondContact O-N 3.35Å; F596-V600 HydrophobicContact CD1-CG2 4.14Å; F596-V600 HydrophobicContact CE1-CG2 3.75Å; F596-V600 HydrophobicContact CZ-CG2 4.02Å; F596-V600 WeakPolarHBondContact O-CG2 3.39Å; F596-V600 PolarHBondContact O-N 2.87Å
597	L	94.3	Very high	93.1	Very high	63 Å²	63	72.7 Å²	72.7	33%	0.33	33%	0.328	S	S	.	.	H	α-helix	trans	-65.9	-38.7	176.5	-70.7	169	0	0	0	111	L155 L158 H594 W595 F599 V600 G601	L155-L597 HydrophobicContact CD2-CB 4.34Å; L155-L597 HydrophobicContact CD2-CD2 4.12Å; L158-L597 HydrophobicContact CD1-CD1 4.37Å; H594-L597 HydrophobicContact CB-CD1 4.27Å; H594-L597 HydrophobicContact CB-CG 4.45Å; H594-L597 WeakPolarHBondContact O-CB 3.21Å; H594-L597 PolarHBondContact O-N 3.04Å; W595-L597 PolarHBondContact O-N 3.29Å; L597-F599 VanDerWaalsContact C-N 3.35Å; L597-V600 PolarHBondContact O-N 3.39Å; L597-G601 PolarHBondContact O-N 3.25Å
598	S	95.5	Very high	93.2	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.007	30%	0.297	C	S	.	.	H	α-helix	trans	-65.3	-37.5	172.4	-59.1	0	0	0	0	111.9	S159 N572 T575 W595 F596 G601 L602	S159-S598 PolarHBondContact OG-OG 3.16Å; N572-S598 WeakPolarHBondContact CB-O 3.4Å; N572-S598 WeakPolarHBondContact O-CB 3.42Å; T575-S598 VanDerWaalsContact OG1-CB 3.23Å; T575-S598 WeakPolarHBondContact OG1-CB 3.37Å; T575-S598 PolarHBondContact OG1-OG 3.26Å; W595-S598 PolarHBondContact O-N 3.09Å; F596-S598 VanDerWaalsContact C-N 3.33Å; F596-S598 PolarHBondContact O-N 3.03Å; S598-G601 PolarHBondContact O-N 2.96Å; S598-L602 PolarHBondContact O-N 3.45Å
599	F	96.7	Very high	93.3	Very high	82 Å²	82	62.7 Å²	62.7	36%	0.36	29%	0.287	S	S	.	.	H	α-helix	trans	-61.2	-45.8	172.9	174.2	-110	0	0	0	112.4	M576 W595 F596 L597 G601 L602 C603	M576-F599 HydrophobicContact CG-CB 4.05Å; M576-F599 HydrophobicContact SD-CB 3.83Å; M576-F599 HydrophobicContact SD-CD2 3.55Å; M576-F599 VanDerWaalsContact SD-CD2 3.55Å; M576-F599 HydrophobicContact SD-CG 4.13Å; W595-F599 PolarHBondContact O-N 2.97Å; W595-F599 VanDerWaalsContact O-N 3.09Å; F596-F599 HydrophobicContact CD2-CD1 4.14Å; F596-F599 AromaticContact CE2-CD1 3.98Å; F596-F599 HydrophobicContact CE2-CD1 3.98Å; F596-F599 HydrophobicContact CE2-CE1 4.46Å; F596-F599 WeakPolarHBondContact O-CB 3.34Å; F596-F599 PolarHBondContact O-N 3.35Å; L597-F599 VanDerWaalsContact C-N 3.35Å; F599-G601 VanDerWaalsContact C-N 3.3Å; F599-G601 PolarHBondContact O-N 3.45Å; F599-L602 WeakPolarHBondContact O-CB 3.42Å; F599-L602 PolarHBondContact O-N 3.05Å; F599-C603 VanDerWaalsContact CZ-SG 3.57Å; F599-C603 PolarHBondContact O-N 2.96Å; F599-C603 PolarHBondContact O-SG 3.33Å
600	V	96.9	Very high	93.4	Very high	56 Å²	56	59.1 Å²	59.1	34%	0.339	28%	0.276	S	S	.	.	H	α-helix	trans	-60.4	-42.1	175.1	175.5	0	0	0	0	110.8	L155 F596 L597 L602 C603 L604	L155-V600 HydrophobicContact CD1-CB 4.46Å; L155-V600 HydrophobicContact CD1-CG1 3.92Å; F596-V600 HydrophobicContact CD1-CG2 4.14Å; F596-V600 HydrophobicContact CE1-CG2 3.75Å; F596-V600 HydrophobicContact CZ-CG2 4.02Å; F596-V600 WeakPolarHBondContact O-CG2 3.39Å; F596-V600 PolarHBondContact O-N 2.87Å; L597-V600 PolarHBondContact O-N 3.39Å; V600-L602 PolarHBondContact O-N 2.95Å; V600-C603 PolarHBondContact O-N 3.34Å; V600-L604 WeakPolarHBondContact O-CB 3.45Å; V600-L604 PolarHBondContact O-N 3.48Å
601	G	95.8	Very high	93.2	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60.3	-42.2	175	0	0	0	0	0	113	L597 S598 F599 L604 C605	L597-G601 PolarHBondContact O-N 3.25Å; S598-G601 PolarHBondContact O-N 2.96Å; F599-G601 VanDerWaalsContact C-N 3.3Å; F599-G601 PolarHBondContact O-N 3.45Å; G601-L604 PolarHBondContact O-N 3.44Å; G601-C605 PolarHBondContact O-N 3.47Å; G601-C605 PolarHBondContact O-SG 2.81Å
602	L	95.9	Very high	92.8	Very high	13 Å²	13	51 Å²	51	7%	0.068	25%	0.252	C	S	.	.	H	α-helix	trans	-61.9	-49.6	175.2	173.7	63.8	0	0	0	111.7	G569 N572 L573 M576 S598 F599 V600 L604 C605 I606	G569-L602 WeakPolarHBondContact O-CD1 3.24Å; N572-L602 HydrophobicContact CB-CB 4.11Å; L573-L602 HydrophobicContact CB-CD1 4.14Å; L573-L602 HydrophobicContact CB-CD2 4.13Å; L573-L602 HydrophobicContact CD1-CD2 3.76Å; M576-L602 HydrophobicContact SD-CD2 4.34Å; S598-L602 PolarHBondContact O-N 3.45Å; F599-L602 WeakPolarHBondContact O-CB 3.42Å; F599-L602 PolarHBondContact O-N 3.05Å; V600-L602 PolarHBondContact O-N 2.95Å; L602-L604 VanDerWaalsContact C-N 3.31Å; L602-L604 PolarHBondContact O-N 3.06Å; L602-C605 PolarHBondContact O-N 2.85Å; L602-I606 HydrophobicContact CD1-CD1 3.83Å; L602-I606 HydrophobicContact CD1-CG1 4.24Å; L602-I606 HydrophobicContact CG-CD1 3.97Å; L602-I606 WeakPolarHBondContact O-CG1 3.23Å; L602-I606 PolarHBondContact O-N 3.44Å
603	C	96	Very high	92.5	Very high	56 Å²	56	44.9 Å²	44.9	38%	0.378	23%	0.227	S	C	.	.	H	α-helix	trans	-59.7	-42.4	178.7	-71.6	0	0	0	0	111.7	F599 V600 I606 A607	F599-C603 VanDerWaalsContact CZ-SG 3.57Å; F599-C603 PolarHBondContact O-N 2.96Å; F599-C603 PolarHBondContact O-SG 3.33Å; V600-C603 PolarHBondContact O-N 3.34Å; C603-I606 PolarHBondContact O-N 2.96Å; C603-A607 WeakPolarHBondContact O-CB 3.23Å; C603-A607 PolarHBondContact O-N 3.21Å
604	L	93.9	Very high	92.4	Very high	33 Å²	33	50.8 Å²	50.8	17%	0.173	25%	0.249	C	C	.	.	H	α-helix	trans	-64.5	-44.3	176.8	-166.3	161.2	0	0	0	110.9	C152 V600 G601 L602 I606 A607 L608	C152-L604 HydrophobicContact CB-CD2 3.36Å; V600-L604 WeakPolarHBondContact O-CB 3.45Å; V600-L604 PolarHBondContact O-N 3.48Å; G601-L604 PolarHBondContact O-N 3.44Å; L602-L604 VanDerWaalsContact C-N 3.31Å; L602-L604 PolarHBondContact O-N 3.06Å; L604-I606 PolarHBondContact O-N 3.5Å; L604-A607 PolarHBondContact O-N 2.85Å; L604-L608 HydrophobicContact CD2-CD1 3.52Å; L604-L608 HydrophobicContact CD2-CG 3.87Å; L604-L608 WeakPolarHBondContact O-CG 3.42Å; L604-L608 PolarHBondContact O-N 3.44Å
605	C	94	Very high	92.2	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.007	25%	0.249	C	C	.	.	H	α-helix	trans	-58	-47	175.7	-68.2	0	0	0	0	112	L565 G601 L602 L608 M609	L565-C605 HydrophobicContact CD2-CB 4.46Å; G601-C605 PolarHBondContact O-N 3.47Å; G601-C605 PolarHBondContact O-SG 2.81Å; L602-C605 PolarHBondContact O-N 2.85Å; C605-L608 PolarHBondContact O-N 2.76Å; C605-M609 WeakPolarHBondContact O-CG 3.39Å; C605-M609 PolarHBondContact O-N 3.45Å; C605-M609 VanDerWaalsContact O-N 3.09Å
606	I	93	Very high	91.9	Very high	51 Å²	51	53.4 Å²	53.4	26%	0.262	26%	0.257	S	S	.	.	H	α-helix	trans	-63.1	-45.3	178.5	-67.3	170.2	0	0	0	110.5	L602 C603 L604 L608 M609 F610 W621	L602-I606 HydrophobicContact CD1-CD1 3.83Å; L602-I606 HydrophobicContact CD1-CG1 4.24Å; L602-I606 HydrophobicContact CG-CD1 3.97Å; L602-I606 WeakPolarHBondContact O-CG1 3.23Å; L602-I606 PolarHBondContact O-N 3.44Å; C603-I606 PolarHBondContact O-N 2.96Å; L604-I606 PolarHBondContact O-N 3.5Å; I606-L608 PolarHBondContact O-N 2.85Å; I606-M609 WeakPolarHBondContact O-CB 3.44Å; I606-M609 PolarHBondContact O-N 2.95Å; I606-F610 HydrophobicContact CG2-CD2 3.69Å; I606-F610 HydrophobicContact CG2-CE2 3.79Å; I606-F610 WeakPolarHBondContact O-CD2 3.4Å; I606-F610 PolarHBondContact O-N 2.98Å; I606-W621 HydrophobicContact CD1-CH2 4.41Å; I606-W621 HydrophobicContact CD1-CZ2 4Å; I606-W621 HydrophobicContact CG1-CZ2 3.88Å
607	A	91.9	Very high	91.6	Very high	45 Å²	45	48.6 Å²	48.6	37%	0.372	24%	0.236	S	C	.	.	H	α-helix	trans	-58.6	-47.3	178.5	0	0	0	0	0	111.7	C603 L604 M609 F610 I611	C603-A607 WeakPolarHBondContact O-CB 3.23Å; C603-A607 PolarHBondContact O-N 3.21Å; L604-A607 PolarHBondContact O-N 2.85Å; A607-M609 VanDerWaalsContact C-N 3.3Å; A607-M609 PolarHBondContact O-N 2.87Å; A607-F610 PolarHBondContact O-N 3.28Å; A607-I611 VanDerWaalsContact O-CB 3.26Å; A607-I611 WeakPolarHBondContact O-CB 3.41Å; A607-I611 WeakPolarHBondContact O-CD1 3.48Å; A607-I611 WeakPolarHBondContact O-CG1 3.38Å; A607-I611 PolarHBondContact O-N 3.38Å
608	L	90.9	Very high	91.4	Very high	7 Å²	7	49.7 Å²	49.7	4%	0.037	24%	0.242	C	C	.	.	H	α-helix	trans	-63.2	-34.4	178.5	-66.8	-173.1	0	0	0	112.8	C152 L403 F407 L565 L604 C605 I606 S612	C152-L608 HydrophobicContact CB-CD1 4.29Å; L403-L608 HydrophobicContact CD1-CD2 3.69Å; L403-L608 HydrophobicContact CD2-CB 4.5Å; L403-L608 HydrophobicContact CD2-CD2 3.76Å; L403-L608 HydrophobicContact CD2-CG 4.47Å; L403-L608 HydrophobicContact CG-CD2 4.37Å; F407-L608 HydrophobicContact CD2-CD1 4.41Å; F407-L608 HydrophobicContact CE2-CD1 4.27Å; L565-L608 HydrophobicContact CD1-CB 3.76Å; L565-L608 HydrophobicContact CD2-CB 4.09Å; L565-L608 HydrophobicContact CD2-CD1 4.08Å; L604-L608 HydrophobicContact CD2-CD1 3.52Å; L604-L608 HydrophobicContact CD2-CG 3.87Å; L604-L608 WeakPolarHBondContact O-CG 3.42Å; L604-L608 PolarHBondContact O-N 3.44Å; C605-L608 PolarHBondContact O-N 2.76Å; I606-L608 PolarHBondContact O-N 2.85Å; L608-S612 PolarHBondContact O-N 3.07Å; L608-S612 VanDerWaalsContact O-N 3.1Å
609	M	90.6	Very high	91.2	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.015	27%	0.269	C	S	.	.	H	α-helix	trans	-64.8	-53.2	175	-75.6	-176.6	168.7	0	0	112.6	L565 M566 C605 I606 A607 I611 S612 S613 T617	L565-M609 HydrophobicContact CB-CE 3.57Å; L565-M609 HydrophobicContact CB-CG 3.72Å; L565-M609 HydrophobicContact CD1-CG 3.85Å; L565-M609 HydrophobicContact CG-CG 4.42Å; M566-M609 HydrophobicContact CB-CE 3.4Å; M566-M609 HydrophobicContact CE-CE 3.84Å; M566-M609 HydrophobicContact CE-SD 4.36Å; M566-M609 HydrophobicContact CG-CE 4.08Å; C605-M609 WeakPolarHBondContact O-CG 3.39Å; C605-M609 PolarHBondContact O-N 3.45Å; C605-M609 VanDerWaalsContact O-N 3.09Å; I606-M609 WeakPolarHBondContact O-CB 3.44Å; I606-M609 PolarHBondContact O-N 2.95Å; A607-M609 VanDerWaalsContact C-N 3.3Å; A607-M609 PolarHBondContact O-N 2.87Å; M609-I611 PolarHBondContact O-N 3.05Å; M609-S612 PolarHBondContact O-N 3.4Å; M609-S612 VanDerWaalsContact O-N 3.11Å; M609-S613 CarbonylContact O-C 3.55Å; M609-S613 PolarHBondContact O-N 3.33Å; M609-T617 HydrophobicContact CB-CG2 3.7Å; M609-T617 WeakPolarHBondContact CB-OG1 3.45Å; M609-T617 HydrophobicContact CG-CG2 4.48Å; M609-T617 PolarHBondContact O-OG1 3.34Å; M609-T617 VanDerWaalsContact O-OG1 3.08Å; M609-T617 HydrophobicContact SD-CG2 3.91Å
610	F	90.4	Very high	90.7	Very high	100 Å²	100	51.5 Å²	51.5	44%	0.439	26%	0.261	S	S	.	.	H	α-helix	trans	-61.1	-36.4	179.9	-88.8	-84.5	0	0	0	111.8	I606 A607 W614 T617 I618	I606-F610 HydrophobicContact CG2-CD2 3.69Å; I606-F610 HydrophobicContact CG2-CE2 3.79Å; I606-F610 WeakPolarHBondContact O-CD2 3.4Å; I606-F610 PolarHBondContact O-N 2.98Å; A607-F610 PolarHBondContact O-N 3.28Å; F610-W614 HydrophobicContact CD1-CB 3.8Å; F610-W614 HydrophobicContact CE1-CB 4.34Å; F610-W614 PolarHBondContact O-N 2.86Å; F610-T617 HydrophobicContact CD2-CG2 3.87Å; F610-T617 HydrophobicContact CE2-CG2 3.75Å; F610-T617 HydrophobicContact CG-CG2 4.38Å; F610-T617 HydrophobicContact CZ-CG2 4.16Å; F610-I618 HydrophobicContact CE1-CG1 4.45Å
611	I	86.5	Confident	90.3	Very high	63 Å²	63	52.3 Å²	52.3	32%	0.323	26%	0.258	S	S	.	.	H	α-helix	trans	-60.8	-44.9	174.3	-82.5	169	0	0	0	111.8	M400 A607 M609	M400-I611 HydrophobicContact CB-CG2 3.78Å; M400-I611 HydrophobicContact CE-CD1 4.47Å; M400-I611 HydrophobicContact CE-CG1 4.27Å; M400-I611 HydrophobicContact CE-CG2 4.43Å; M400-I611 HydrophobicContact CG-CG2 3.84Å; M400-I611 HydrophobicContact SD-CB 4.19Å; M400-I611 HydrophobicContact SD-CD1 4.32Å; M400-I611 HydrophobicContact SD-CG1 4.09Å; M400-I611 HydrophobicContact SD-CG2 3.21Å; M400-I611 WeakPolarHBondContact SD-CG2 3.29Å; A607-I611 VanDerWaalsContact O-CB 3.26Å; A607-I611 WeakPolarHBondContact O-CB 3.41Å; A607-I611 WeakPolarHBondContact O-CD1 3.48Å; A607-I611 WeakPolarHBondContact O-CG1 3.38Å; A607-I611 PolarHBondContact O-N 3.38Å; M609-I611 PolarHBondContact O-N 3.05Å
612	S	81.2	Confident	90.1	Very high	26 Å²	26	55.2 Å²	55.2	18%	0.182	28%	0.282	C	S	.	.	H	α-helix	trans	-75.6	-48.9	-177.2	172.6	0	0	0	0	111.8	M562 L608 M609	M562-S612 VanDerWaalsContact CE-CB 3.45Å; M562-S612 WeakPolarHBondContact CE-OG 3.29Å; L608-S612 PolarHBondContact O-N 3.07Å; L608-S612 VanDerWaalsContact O-N 3.1Å; M609-S612 PolarHBondContact O-N 3.4Å; M609-S612 VanDerWaalsContact O-N 3.11Å
613	S	84.2	Confident	89.7	Confident	12 Å²	12	59.7 Å²	59.7	8%	0.084	31%	0.306	C	S	.	.	H	α-helix	trans	-162.3	107.8	172.4	175.3	0	0	0	0	111.3	M609 Y615 Y616 T617	M609-S613 CarbonylContact O-C 3.55Å; M609-S613 PolarHBondContact O-N 3.33Å; S613-Y615 PolarHBondContact O-N 2.8Å; S613-Y615 VanDerWaalsContact OG-CD1 3.3Å; S613-Y615 WeakPolarHBondContact OG-CD1 3.34Å; S613-Y615 WeakPolarHBondContact OG-CE1 3.44Å; S613-Y615 VanDerWaalsContact OG-CZ 3.24Å; S613-Y616 WeakPolarHBondContact OG-CD2 3.48Å; S613-Y616 PolarHBondContact OG-N 3.07Å; S613-T617 WeakPolarHBondContact O-CB 3.45Å; S613-T617 PolarHBondContact O-N 3.19Å; S613-T617 PolarHBondContact O-OG1 3.09Å
614	W	89.6	Confident	89.3	Confident	158 Å²	158	57.1 Å²	57.1	60%	0.598	29%	0.289	S	S	*	.	H	α-helix	trans	-62.3	-38.5	-179.7	71.1	-89.1	0	0	0	113.2	F610 T617 I618	F610-W614 HydrophobicContact CD1-CB 3.8Å; F610-W614 HydrophobicContact CE1-CB 4.34Å; F610-W614 PolarHBondContact O-N 2.86Å; W614-T617 WeakPolarHBondContact O-CB 3.38Å; W614-T617 PolarHBondContact O-N 3.47Å; W614-I618 HydrophobicContact CE3-CD1 3.68Å; W614-I618 HydrophobicContact CZ3-CD1 3.88Å; W614-I618 WeakPolarHBondContact O-CG1 3.35Å; W614-I618 PolarHBondContact O-N 3.48Å; W614-I618 VanDerWaalsContact O-N 3.08Å
615	Y	89.4	Confident	89.1	Confident	114 Å²	114	61.6 Å²	61.6	45%	0.447	31%	0.307	S	S	.	.	H	α-helix	trans	-74	-41.4	-176.1	59.7	-88	0	0	0	111.8	S613 T617 I618 V619	S613-Y615 PolarHBondContact O-N 2.8Å; S613-Y615 VanDerWaalsContact OG-CD1 3.3Å; S613-Y615 WeakPolarHBondContact OG-CD1 3.34Å; S613-Y615 WeakPolarHBondContact OG-CE1 3.44Å; S613-Y615 VanDerWaalsContact OG-CZ 3.24Å; Y615-T617 VanDerWaalsContact C-N 3.26Å; Y615-T617 PolarHBondContact O-N 2.68Å; Y615-I618 PolarHBondContact O-N 3.32Å; Y615-V619 WeakPolarHBondContact O-CG2 3.44Å; Y615-V619 PolarHBondContact O-N 3.41Å
616	Y	87.5	Confident	88.9	Confident	135 Å²	135	64.1 Å²	64.1	53%	0.529	33%	0.328	S	S	.	.	H	α-helix	trans	-64.3	-34.9	171.8	-68.8	-46.6	0	0	0	111.5	S613 V619 A620	S613-Y616 WeakPolarHBondContact OG-CD2 3.48Å; S613-Y616 PolarHBondContact OG-N 3.07Å; Y616-V619 PolarHBondContact O-N 3.4Å; Y616-A620 WeakPolarHBondContact O-CB 3.37Å; Y616-A620 PolarHBondContact O-N 2.96Å
617	T	88.8	Confident	88.6	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.006	32%	0.324	C	S	.	.	H	α-helix	trans	-60.3	-48.9	176.4	-59.3	0	0	0	0	111.8	M609 F610 S613 W614 Y615 A620 W621	M609-T617 HydrophobicContact CB-CG2 3.7Å; M609-T617 WeakPolarHBondContact CB-OG1 3.45Å; M609-T617 HydrophobicContact CG-CG2 4.48Å; M609-T617 PolarHBondContact O-OG1 3.34Å; M609-T617 VanDerWaalsContact O-OG1 3.08Å; M609-T617 HydrophobicContact SD-CG2 3.91Å; F610-T617 HydrophobicContact CD2-CG2 3.87Å; F610-T617 HydrophobicContact CE2-CG2 3.75Å; F610-T617 HydrophobicContact CG-CG2 4.38Å; F610-T617 HydrophobicContact CZ-CG2 4.16Å; S613-T617 WeakPolarHBondContact O-CB 3.45Å; S613-T617 PolarHBondContact O-N 3.19Å; S613-T617 PolarHBondContact O-OG1 3.09Å; W614-T617 WeakPolarHBondContact O-CB 3.38Å; W614-T617 PolarHBondContact O-N 3.47Å; Y615-T617 VanDerWaalsContact C-N 3.26Å; Y615-T617 PolarHBondContact O-N 2.68Å; T617-A620 PolarHBondContact O-N 3.4Å; T617-W621 WeakPolarHBondContact O-CB 3.45Å; T617-W621 PolarHBondContact O-N 3.49Å
618	I	91.1	Very high	88.5	Confident	87 Å²	87	63.9 Å²	63.9	45%	0.446	32%	0.317	S	S	.	.	H	α-helix	trans	-62.1	-46.6	179.9	-67.5	170.6	0	0	0	110.8	F610 W614 Y615 A620 W621 A622	F610-I618 HydrophobicContact CE1-CG1 4.45Å; W614-I618 HydrophobicContact CE3-CD1 3.68Å; W614-I618 HydrophobicContact CZ3-CD1 3.88Å; W614-I618 WeakPolarHBondContact O-CG1 3.35Å; W614-I618 PolarHBondContact O-N 3.48Å; W614-I618 VanDerWaalsContact O-N 3.08Å; Y615-I618 PolarHBondContact O-N 3.32Å; I618-A620 PolarHBondContact O-N 3.02Å; I618-W621 PolarHBondContact O-N 3.4Å; I618-A622 WeakPolarHBondContact O-CB 3.18Å; I618-A622 PolarHBondContact O-N 2.85Å
619	V	90.2	Very high	88.3	Confident	98 Å²	98	68 Å²	68	59%	0.594	33%	0.334	S	S	*	.	H	α-helix	trans	-62	-45.4	179.3	174	0	0	0	0	110.9	Y615 Y616 A622 L623	Y615-V619 WeakPolarHBondContact O-CG2 3.44Å; Y615-V619 PolarHBondContact O-N 3.41Å; Y616-V619 PolarHBondContact O-N 3.4Å; V619-A622 PolarHBondContact O-N 2.62Å; V619-L623 WeakPolarHBondContact O-CB 3.4Å; V619-L623 PolarHBondContact O-N 3.29Å
620	A	87.3	Confident	88.2	Confident	23 Å²	23	71.8 Å²	71.8	19%	0.19	35%	0.349	C	S	.	.	H	α-helix	trans	-66.2	-40.6	-179.5	0	0	0	0	0	111.7	M566 Y616 T617 I618 L623 A624	M566-A620 VanDerWaalsContact CE-C 3.46Å; M566-A620 HydrophobicContact CE-CB 3.22Å; M566-A620 HydrophobicContact SD-CB 4.04Å; Y616-A620 WeakPolarHBondContact O-CB 3.37Å; Y616-A620 PolarHBondContact O-N 2.96Å; T617-A620 PolarHBondContact O-N 3.4Å; I618-A620 PolarHBondContact O-N 3.02Å; A620-L623 PolarHBondContact O-N 3.36Å; A620-A624 WeakPolarHBondContact O-CB 3.18Å; A620-A624 PolarHBondContact O-N 2.9Å
621	W	88.7	Confident	88	Confident	73 Å²	73	67.2 Å²	67.2	28%	0.277	33%	0.329	S	S	.	.	H	α-helix	trans	-65.3	-40.2	175.9	-94.5	86.4	0	0	0	112.1	M566 F570 I606 T617 I618 A624 F625	M566-W621 HydrophobicContact CE-CG 4.24Å; F570-W621 HydrophobicContact CE1-CE3 4.47Å; F570-W621 HydrophobicContact CE1-CH2 4.25Å; F570-W621 HydrophobicContact CE1-CZ3 4.03Å; I606-W621 HydrophobicContact CD1-CH2 4.41Å; I606-W621 HydrophobicContact CD1-CZ2 4Å; I606-W621 HydrophobicContact CG1-CZ2 3.88Å; T617-W621 WeakPolarHBondContact O-CB 3.45Å; T617-W621 PolarHBondContact O-N 3.49Å; I618-W621 PolarHBondContact O-N 3.4Å; W621-A624 PolarHBondContact O-N 3.49Å; W621-F625 VanDerWaalsContact O-CB 3.31Å; W621-F625 WeakPolarHBondContact O-CB 3.41Å; W621-F625 PolarHBondContact O-N 3.03Å
622	A	90.5	Very high	87.9	Confident	61 Å²	61	67.1 Å²	67.1	50%	0.504	33%	0.327	S	S	.	.	H	α-helix	trans	-62.5	-45	175.5	0	0	0	0	0	111.6	I618 V619 F625 A626	I618-A622 WeakPolarHBondContact O-CB 3.18Å; I618-A622 PolarHBondContact O-N 2.85Å; V619-A622 PolarHBondContact O-N 2.62Å; A622-F625 PolarHBondContact O-N 3.34Å; A622-A626 WeakPolarHBondContact O-CB 3.41Å; A622-A626 PolarHBondContact O-N 3.48Å
623	L	88.3	Confident	87.8	Confident	107 Å²	107	71.3 Å²	71.3	56%	0.56	34%	0.342	S	S	*	.	H	α-helix	trans	-62.8	-44.9	176.2	-178.8	64.3	0	0	0	111.5	V619 A620 A626 I627	V619-L623 WeakPolarHBondContact O-CB 3.4Å; V619-L623 PolarHBondContact O-N 3.29Å; A620-L623 PolarHBondContact O-N 3.36Å; L623-A626 PolarHBondContact O-N 3.03Å; L623-I627 HydrophobicContact CD1-CD1 4.43Å; L623-I627 HydrophobicContact CG-CD1 4.1Å; L623-I627 WeakPolarHBondContact O-CG1 3.48Å; L623-I627 PolarHBondContact O-N 3.33Å
624	A	87.4	Confident	87.7	Confident	2 Å²	2	76.3 Å²	76.3	2%	0.017	36%	0.359	C	S	.	.	H	α-helix	trans	-66.1	-39.4	-179.2	0	0	0	0	0	112.3	M566 F570 A620 W621 I627 Y628	M566-A624 HydrophobicContact SD-CB 3.55Å; M566-A624 VanDerWaalsContact SD-CB 3.55Å; F570-A624 HydrophobicContact CE2-CB 3.62Å; F570-A624 HydrophobicContact CZ-CB 3.53Å; A620-A624 WeakPolarHBondContact O-CB 3.18Å; A620-A624 PolarHBondContact O-N 2.9Å; W621-A624 PolarHBondContact O-N 3.49Å; A624-I627 PolarHBondContact O-N 3.02Å; A624-Y628 WeakPolarHBondContact O-CB 3.41Å; A624-Y628 PolarHBondContact O-N 2.92Å
625	F	88.8	Confident	87	Confident	126 Å²	126	70.2 Å²	70.2	55%	0.553	35%	0.346	S	S	*	.	H	α-helix	trans	-64.3	-41.1	172.1	-178.9	-100.8	0	0	0	112.2	W621 A622 Y628 K629	W621-F625 VanDerWaalsContact O-CB 3.31Å; W621-F625 WeakPolarHBondContact O-CB 3.41Å; W621-F625 PolarHBondContact O-N 3.03Å; A622-F625 PolarHBondContact O-N 3.34Å; F625-Y628 PolarHBondContact O-N 3.35Å; F625-K629 HydrophobicContact CD1-CG 4.41Å; F625-K629 HydrophobicContact CE1-CG 3.93Å; F625-K629 HydrophobicContact CE2-CG 4.22Å; F625-K629 HydrophobicContact CZ-CD 4.46Å; F625-K629 HydrophobicContact CZ-CG 3.83Å; F625-K629 WeakPolarHBondContact O-CB 3.44Å; F625-K629 PolarHBondContact O-N 3.35Å
626	A	90.3	Very high	86.1	Confident	54 Å²	54	65.5 Å²	65.5	45%	0.446	33%	0.33	S	S	.	.	H	α-helix	trans	-63.2	-42.3	175.5	0	0	0	0	0	112	A622 L623 K629 Y630	A622-A626 WeakPolarHBondContact O-CB 3.41Å; A622-A626 PolarHBondContact O-N 3.48Å; L623-A626 PolarHBondContact O-N 3.03Å; A626-K629 PolarHBondContact O-N 2.94Å; A626-Y630 VanDerWaalsContact O-CB 3.24Å; A626-Y630 WeakPolarHBondContact O-CB 3.14Å; A626-Y630 PolarHBondContact O-N 3.33Å
627	I	88.2	Confident	85.5	Confident	36 Å²	36	60.2 Å²	60.2	19%	0.185	31%	0.313	C	S	.	.	H	α-helix	trans	-61.7	-48.6	174.3	-69.7	167.4	0	0	0	110.5	A189 I192 L623 A624 K629 Y630 I631	A189-I627 HydrophobicContact CB-CG2 4.3Å; I192-I627 HydrophobicContact CD1-CD1 4.49Å; I192-I627 HydrophobicContact CD1-CG2 3.7Å; L623-I627 HydrophobicContact CD1-CD1 4.43Å; L623-I627 HydrophobicContact CG-CD1 4.1Å; L623-I627 WeakPolarHBondContact O-CG1 3.48Å; L623-I627 PolarHBondContact O-N 3.33Å; A624-I627 PolarHBondContact O-N 3.02Å; I627-K629 PolarHBondContact O-N 3.49Å; I627-Y630 PolarHBondContact O-N 2.81Å; I627-I631 HydrophobicContact CG2-CD1 3.8Å; I627-I631 HydrophobicContact CG2-CG1 4.49Å; I627-I631 VanDerWaalsContact O-CG1 3.28Å; I627-I631 WeakPolarHBondContact O-CG1 3.34Å; I627-I631 PolarHBondContact O-N 2.69Å
628	Y	88.8	Confident	84.7	Confident	56 Å²	56	66.9 Å²	66.9	22%	0.22	34%	0.342	C	S	.	.	H	α-helix	trans	-56.5	-50.1	177.8	175.9	-89	0	0	0	111.6	A185 F186 A624 F625 Y630 I631 E632	A185-Y628 HydrophobicContact CB-CD2 4.08Å; A185-Y628 HydrophobicContact CB-CE2 3.71Å; F186-Y628 HydrophobicContact CD1-CD2 4.49Å; F186-Y628 HydrophobicContact CD1-CE2 4.14Å; F186-Y628 AromaticContact CD2-CE2 3.86Å; F186-Y628 HydrophobicContact CD2-CE2 3.86Å; F186-Y628 HydrophobicContact CE1-CE2 4.05Å; F186-Y628 AromaticContact CE2-CE2 3.76Å; F186-Y628 HydrophobicContact CE2-CE2 3.76Å; F186-Y628 HydrophobicContact CG-CE2 4.05Å; F186-Y628 AromaticContact CZ-CE2 3.85Å; F186-Y628 HydrophobicContact CZ-CE2 3.85Å; A624-Y628 WeakPolarHBondContact O-CB 3.41Å; A624-Y628 PolarHBondContact O-N 2.92Å; F625-Y628 PolarHBondContact O-N 3.35Å; Y628-Y630 PolarHBondContact O-N 3.29Å; Y628-I631 PolarHBondContact O-N 2.88Å; Y628-E632 PolarHBondContact O-N 3.38Å
629	K	87.1	Confident	83.6	Confident	93 Å²	93	69.2 Å²	69.2	40%	0.404	35%	0.351	S	S	.	.	H	α-helix	trans	-65.3	-37.1	178.9	-81	-71.9	167.7	-157.5	0	113	F625 A626 I627 I631 E632 F633	F625-K629 HydrophobicContact CD1-CG 4.41Å; F625-K629 HydrophobicContact CE1-CG 3.93Å; F625-K629 HydrophobicContact CE2-CG 4.22Å; F625-K629 HydrophobicContact CZ-CD 4.46Å; F625-K629 HydrophobicContact CZ-CG 3.83Å; F625-K629 WeakPolarHBondContact O-CB 3.44Å; F625-K629 PolarHBondContact O-N 3.35Å; A626-K629 PolarHBondContact O-N 2.94Å; I627-K629 PolarHBondContact O-N 3.49Å; K629-I631 VanDerWaalsContact C-N 3.35Å; K629-E632 WeakPolarHBondContact CD-OE2 3.39Å; K629-E632 WeakPolarHBondContact CE-OE2 3.43Å; K629-E632 IonicContact NZ-OE1 2.84Å; K629-E632 IonicContact NZ-OE2 3.14Å; K629-E632 PolarHBondContact NZ-OE2 3.45Å; K629-E632 PolarHBondContact O-N 3.07Å; K629-F633 WeakPolarHBondContact O-CB 3.5Å; K629-F633 PolarHBondContact O-N 3.04Å
630	Y	88.3	Confident	82.4	Confident	82 Å²	82	69.1 Å²	69.1	32%	0.322	34%	0.34	S	S	.	.	H	α-helix	trans	-61.5	-45.1	174.9	176.9	-96.6	0	0	0	111.4	M518 F520 A626 I627 Y628 F633 R634	M518-Y630 HydrophobicContact CG-CD1 4.45Å; M518-Y630 HydrophobicContact CG-CE1 4.24Å; F520-Y630 HydrophobicContact CD1-CE1 4.38Å; F520-Y630 AromaticContact CE1-CE1 3.89Å; F520-Y630 HydrophobicContact CE1-CE1 3.89Å; A626-Y630 VanDerWaalsContact O-CB 3.24Å; A626-Y630 WeakPolarHBondContact O-CB 3.14Å; A626-Y630 PolarHBondContact O-N 3.33Å; I627-Y630 PolarHBondContact O-N 2.81Å; Y628-Y630 PolarHBondContact O-N 3.29Å; Y630-F633 PolarHBondContact O-N 3.49Å; Y630-R634 HydrophobicContact CE1-CG 4.01Å; Y630-R634 HydrophobicContact CE2-CG 4.11Å; Y630-R634 WeakPolarHBondContact O-CB 3.49Å; Y630-R634 WeakPolarHBondContact O-CG 3.48Å; Y630-R634 PolarHBondContact O-N 2.83Å; Y630-R634 PolarHBondContact OH-NE 3.09Å
631	I	86.6	Confident	81.4	Confident	4 Å²	4	71.4 Å²	71.4	2%	0.021	37%	0.366	C	S	.	.	H	α-helix	trans	-65.2	-45.9	178.5	-66.7	170.2	0	0	0	111	A185 V517 M518 I627 Y628 K629 F633 R634 G635	A185-I631 HydrophobicContact CB-CG2 4.14Å; V517-I631 HydrophobicContact CG1-CB 4.1Å; V517-I631 HydrophobicContact CG1-CD1 3.99Å; V517-I631 HydrophobicContact CG1-CG1 3.87Å; V517-I631 HydrophobicContact CG1-CG2 3.15Å; M518-I631 HydrophobicContact CG-CD1 4.45Å; M518-I631 HydrophobicContact CG-CG1 4.06Å; M518-I631 HydrophobicContact SD-CD1 4.38Å; M518-I631 HydrophobicContact SD-CG1 4.5Å; I627-I631 HydrophobicContact CG2-CD1 3.8Å; I627-I631 HydrophobicContact CG2-CG1 4.49Å; I627-I631 VanDerWaalsContact O-CG1 3.28Å; I627-I631 WeakPolarHBondContact O-CG1 3.34Å; I627-I631 PolarHBondContact O-N 2.69Å; Y628-I631 PolarHBondContact O-N 2.88Å; K629-I631 VanDerWaalsContact C-N 3.35Å; I631-F633 VanDerWaalsContact C-N 3.33Å; I631-F633 PolarHBondContact O-N 3.18Å; I631-R634 PolarHBondContact O-N 2.95Å; I631-G635 PolarHBondContact O-N 3.44Å
632	E	83	Confident	80.8	Confident	61 Å²	61	71.1 Å²	71.1	29%	0.285	37%	0.37	S	S	.	.	H	α-helix	trans	-57.3	-46.3	176.8	-173	-173.8	172.6	0	0	111.4	Y628 K629 G635 A636	Y628-E632 PolarHBondContact O-N 3.38Å; K629-E632 WeakPolarHBondContact CD-OE2 3.39Å; K629-E632 WeakPolarHBondContact CE-OE2 3.43Å; K629-E632 IonicContact NZ-OE1 2.84Å; K629-E632 IonicContact NZ-OE2 3.14Å; K629-E632 PolarHBondContact NZ-OE2 3.45Å; K629-E632 PolarHBondContact O-N 3.07Å; E632-G635 PolarHBondContact O-N 3.35Å; E632-A636 PolarHBondContact O-N 3.04Å
633	F	80.6	Confident	79.5	Confident	115 Å²	115	68.6 Å²	68.6	50%	0.504	35%	0.349	S	S	.	.	H	α-helix	trans	-63.6	-43.7	179.1	-175.9	-95	0	0	0	112.7	K629 Y630 I631 S637 A643	K629-F633 WeakPolarHBondContact O-CB 3.5Å; K629-F633 PolarHBondContact O-N 3.04Å; Y630-F633 PolarHBondContact O-N 3.49Å; I631-F633 VanDerWaalsContact C-N 3.33Å; I631-F633 PolarHBondContact O-N 3.18Å; F633-S637 PolarHBondContact O-N 3.43Å; F633-S637 PolarHBondContact O-OG 3.43Å; F633-A643 HydrophobicContact CD1-CB 4.31Å; F633-A643 HydrophobicContact CD2-CB 3.79Å; F633-A643 HydrophobicContact CE1-CB 3.93Å; F633-A643 HydrophobicContact CE2-CB 3.36Å; F633-A643 HydrophobicContact CG-CB 4.25Å; F633-A643 HydrophobicContact CZ-CB 3.44Å; F633-A643 VanDerWaalsContact CZ-CB 3.44Å
634	R	81.6	Confident	78.8	Confident	116 Å²	116	67.5 Å²	67.5	44%	0.438	35%	0.347	S	S	.	.	H	α-helix	trans	-71.2	-36.8	177.7	-75.8	-65.8	-165.8	-179.5	0.9	112.5	Y630 I631 S637 K638	Y630-R634 HydrophobicContact CE1-CG 4.01Å; Y630-R634 HydrophobicContact CE2-CG 4.11Å; Y630-R634 WeakPolarHBondContact O-CB 3.49Å; Y630-R634 WeakPolarHBondContact O-CG 3.48Å; Y630-R634 PolarHBondContact O-N 2.83Å; Y630-R634 PolarHBondContact OH-NE 3.09Å; I631-R634 PolarHBondContact O-N 2.95Å; R634-S637 WeakPolarHBondContact O-CB 3.4Å; R634-S637 PolarHBondContact O-N 3.2Å; R634-K638 PolarHBondContact O-N 3.36Å
635	G	75.1	Confident	78.1	Confident	31 Å²	31	75.6 Å²	75.6	32%	0.32	38%	0.377	S	S	.	.	H	α-helix	trans	-57.9	-50.4	173.2	0	0	0	0	0	111.3	I631 E632 S637 K638 E639	I631-G635 PolarHBondContact O-N 3.44Å; E632-G635 PolarHBondContact O-N 3.35Å; G635-S637 VanDerWaalsContact C-N 3.3Å; G635-S637 PolarHBondContact O-N 3.46Å; G635-K638 PolarHBondContact O-N 3.21Å; G635-K638 VanDerWaalsContact O-N 3.16Å; G635-E639 PolarHBondContact O-N 3.41Å; G635-E639 VanDerWaalsContact O-N 3.08Å
636	A	70.7	Confident	77.2	Confident	14 Å²	14	69.6 Å²	69.6	12%	0.116	35%	0.351	C	S	.	.	H	α-helix	trans	-60.9	-37.2	175.7	0	0	0	0	0	112.8	E632 W640	E632-A636 PolarHBondContact O-N 3.04Å; A636-W640 PolarHBondContact O-N 3.08Å
637	S	74.3	Confident	76.2	Confident	24 Å²	24	71.3 Å²	71.3	17%	0.168	35%	0.352	C	S	.	.	H	α-helix	trans	-65.3	-38.6	176	-52.7	0	0	0	0	112.6	F633 R634 G635 G641 A643	F633-S637 PolarHBondContact O-N 3.43Å; F633-S637 PolarHBondContact O-OG 3.43Å; R634-S637 WeakPolarHBondContact O-CB 3.4Å; R634-S637 PolarHBondContact O-N 3.2Å; G635-S637 VanDerWaalsContact C-N 3.3Å; G635-S637 PolarHBondContact O-N 3.46Å; S637-G641 CarbonylContact O-C 3.57Å; S637-G641 VanDerWaalsContact O-C 3.31Å; S637-G641 WeakPolarHBondContact O-CA 3.47Å; S637-G641 PolarHBondContact O-N 3.05Å; S637-A643 WeakPolarHBondContact OG-CB 3.35Å
638	K	71.3	Confident	75.8	Confident	142 Å²	142	76.2 Å²	76.2	62%	0.617	37%	0.374	S	S	*	.	H	α-helix	trans	-75.4	-40.6	-176.9	-173.2	178.3	178.6	-179.3	0	112	R634 G635	R634-K638 PolarHBondContact O-N 3.36Å; G635-K638 PolarHBondContact O-N 3.21Å; G635-K638 VanDerWaalsContact O-N 3.16Å
639	E	69.1	Low	75.3	Confident	136 Å²	136	78.3 Å²	78.3	64%	0.636	39%	0.387	S	S	*	.	H	α-helix	trans	-70.3	-31.1	-179.8	-72.1	-177.4	-178.8	0	0	113	G635	G635-E639 PolarHBondContact O-N 3.41Å; G635-E639 VanDerWaalsContact O-N 3.08Å
640	W	64.9	Low	74.5	Confident	95 Å²	95	76 Å²	76	36%	0.36	38%	0.383	S	S	.	.	H	α-helix	trans	-127.2	5.9	-169.3	-58.8	98	0	0	0	114.8	A636 D642 M649	A636-W640 PolarHBondContact O-N 3.08Å; W640-D642 PolarHBondContact O-N 3.37Å; W640-M649 HydrophobicContact CD2-CB 4Å; W640-M649 HydrophobicContact CD2-CG 4.06Å; W640-M649 HydrophobicContact CE3-CB 3.94Å; W640-M649 HydrophobicContact CE3-CG 3.56Å; W640-M649 HydrophobicContact CH2-CB 4.18Å; W640-M649 HydrophobicContact CH2-CE 4.34Å; W640-M649 HydrophobicContact CH2-CG 3.34Å; W640-M649 HydrophobicContact CZ2-CB 4.21Å; W640-M649 HydrophobicContact CZ2-CG 3.84Å; W640-M649 HydrophobicContact CZ3-CB 4.06Å; W640-M649 HydrophobicContact CZ3-CE 4.15Å; W640-M649 HydrophobicContact CZ3-CG 3.19Å
641	G	66.7	Low	74.1	Confident	71 Å²	71	76 Å²	76	73%	0.732	39%	0.391	S	S	*	.	S	Bend	trans	76.8	-41.3	-178.7	0	0	0	0	0	114.7	S637	S637-G641 CarbonylContact O-C 3.57Å; S637-G641 VanDerWaalsContact O-C 3.31Å; S637-G641 WeakPolarHBondContact O-CA 3.47Å; S637-G641 PolarHBondContact O-N 3.05Å
642	D	75.1	Confident	74.1	Confident	67 Å²	67	77.8 Å²	77.8	36%	0.358	41%	0.407	S	S	.	.	S	Bend	trans	-120	127.5	174.8	178.1	-10.4	0	0	0	109.7	W640 T644 R645 G646	W640-D642 PolarHBondContact O-N 3.37Å; D642-T644 VanDerWaalsContact C-N 3.3Å; D642-T644 PolarHBondContact O-N 3.49Å; D642-T644 PolarHBondContact OD1-N 3.21Å; D642-T644 PolarHBondContact OD1-OG1 2.89Å; D642-R645 HydrophobicContact CB-CB 4.24Å; D642-R645 HydrophobicContact CB-CG 4.48Å; D642-G646 WeakPolarHBondContact O-CA 3.47Å; D642-G646 PolarHBondContact O-N 2.84Å
643	A	64.4	Low	74.1	Confident	8 Å²	8	80.6 Å²	80.6	7%	0.066	42%	0.418	C	S	.	.	H	α-helix	trans	-56.4	-42.4	-177.2	0	0	0	0	0	113.2	F633 S637 G646 L647	F633-A643 HydrophobicContact CD1-CB 4.31Å; F633-A643 HydrophobicContact CD2-CB 3.79Å; F633-A643 HydrophobicContact CE1-CB 3.93Å; F633-A643 HydrophobicContact CE2-CB 3.36Å; F633-A643 HydrophobicContact CG-CB 4.25Å; F633-A643 HydrophobicContact CZ-CB 3.44Å; F633-A643 VanDerWaalsContact CZ-CB 3.44Å; S637-A643 WeakPolarHBondContact OG-CB 3.35Å; A643-G646 PolarHBondContact O-N 3.31Å; A643-L647 WeakPolarHBondContact O-CB 3.18Å; A643-L647 PolarHBondContact O-N 3.36Å
644	T	73.6	Confident	73.9	Confident	84 Å²	84	79 Å²	79	52%	0.515	41%	0.412	S	S	.	.	H	α-helix	trans	-75.6	-45.9	-171.3	59	0	0	0	0	111	D642 G646 Q648	D642-T644 VanDerWaalsContact C-N 3.3Å; D642-T644 PolarHBondContact O-N 3.49Å; D642-T644 PolarHBondContact OD1-N 3.21Å; D642-T644 PolarHBondContact OD1-OG1 2.89Å; T644-G646 VanDerWaalsContact C-N 3.3Å; T644-Q648 WeakPolarHBondContact O-CG 3.47Å; T644-Q648 PolarHBondContact O-N 3.38Å
645	R	72.6	Confident	73.9	Confident	172 Å²	172	75.8 Å²	75.8	65%	0.649	41%	0.41	S	S	*	.	H	α-helix	trans	-64.6	-37.1	171.9	-68.1	-177.9	172.3	-173.9	-1.6	111.2	D642 Q648 M649	D642-R645 HydrophobicContact CB-CB 4.24Å; D642-R645 HydrophobicContact CB-CG 4.48Å; R645-Q648 PolarHBondContact O-N 3.3Å; R645-M649 WeakPolarHBondContact O-CB 3.27Å; R645-M649 PolarHBondContact O-N 3.45Å
646	G	69.5	Low	74.4	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-64.5	-44.1	178.4	0	0	0	0	0	113.8	D642 A643 T644 Q648 M649 S650	D642-G646 WeakPolarHBondContact O-CA 3.47Å; D642-G646 PolarHBondContact O-N 2.84Å; A643-G646 PolarHBondContact O-N 3.31Å; T644-G646 VanDerWaalsContact C-N 3.3Å; G646-Q648 VanDerWaalsContact C-N 3.33Å; G646-Q648 PolarHBondContact O-N 3.46Å; G646-M649 PolarHBondContact O-N 2.89Å; G646-S650 VanDerWaalsContact O-CB 3.31Å; G646-S650 WeakPolarHBondContact O-CB 3.39Å; G646-S650 PolarHBondContact O-N 3.31Å
647	L	69.7	Low	74.9	Confident	90 Å²	90	81.5 Å²	81.5	47%	0.471	43%	0.43	S	S	.	.	H	α-helix	trans	-62	-42.4	174	-174.2	65.9	0	0	0	111.4	A643 T651	A643-L647 WeakPolarHBondContact O-CB 3.18Å; A643-L647 PolarHBondContact O-N 3.36Å; L647-T651 WeakPolarHBondContact O-CB 3.46Å; L647-T651 PolarHBondContact O-N 3.06Å; L647-T651 PolarHBondContact O-OG1 3.36Å
648	Q	78.3	Confident	75	Confident	139 Å²	139	86.3 Å²	86.3	65%	0.65	45%	0.448	S	S	*	.	H	α-helix	trans	-63	-44.5	176.7	-71.4	175.3	-6.7	0	0	111.9	T644 R645 G646 T651 A652	T644-Q648 WeakPolarHBondContact O-CG 3.47Å; T644-Q648 PolarHBondContact O-N 3.38Å; R645-Q648 PolarHBondContact O-N 3.3Å; G646-Q648 VanDerWaalsContact C-N 3.33Å; G646-Q648 PolarHBondContact O-N 3.46Å; Q648-T651 PolarHBondContact O-N 2.94Å; Q648-A652 WeakPolarHBondContact O-CB 3.25Å; Q648-A652 PolarHBondContact O-N 2.92Å
649	M	78.3	Confident	75.2	Confident	100 Å²	100	83.3 Å²	83.3	49%	0.493	44%	0.439	S	S	.	.	H	α-helix	trans	-70.9	-39.2	-178.7	-167	61.9	176.3	0	0	112.2	W640 R645 G646 A652 K653	W640-M649 HydrophobicContact CD2-CB 4Å; W640-M649 HydrophobicContact CD2-CG 4.06Å; W640-M649 HydrophobicContact CE3-CB 3.94Å; W640-M649 HydrophobicContact CE3-CG 3.56Å; W640-M649 HydrophobicContact CH2-CB 4.18Å; W640-M649 HydrophobicContact CH2-CE 4.34Å; W640-M649 HydrophobicContact CH2-CG 3.34Å; W640-M649 HydrophobicContact CZ2-CB 4.21Å; W640-M649 HydrophobicContact CZ2-CG 3.84Å; W640-M649 HydrophobicContact CZ3-CB 4.06Å; W640-M649 HydrophobicContact CZ3-CE 4.15Å; W640-M649 HydrophobicContact CZ3-CG 3.19Å; R645-M649 WeakPolarHBondContact O-CB 3.27Å; R645-M649 PolarHBondContact O-N 3.45Å; G646-M649 PolarHBondContact O-N 2.89Å; M649-A652 PolarHBondContact O-N 3.41Å; M649-K653 WeakPolarHBondContact O-CB 3.38Å; M649-K653 PolarHBondContact O-N 2.81Å
650	S	71.2	Confident	75.2	Confident	46 Å²	46	78 Å²	78	32%	0.322	42%	0.42	S	S	.	.	H	α-helix	trans	-62.6	-44.2	172.7	-171.7	0	0	0	0	111.3	G646 A652 K653 E654	G646-S650 VanDerWaalsContact O-CB 3.31Å; G646-S650 WeakPolarHBondContact O-CB 3.39Å; G646-S650 PolarHBondContact O-N 3.31Å; S650-A652 VanDerWaalsContact C-N 3.33Å; S650-A652 PolarHBondContact O-N 3.42Å; S650-K653 PolarHBondContact O-N 2.91Å; S650-E654 WeakPolarHBondContact O-CB 3.34Å; S650-E654 PolarHBondContact O-N 3.01Å
651	T	79.9	Confident	75.3	Confident	80 Å²	80	81 Å²	81	49%	0.491	44%	0.443	S	S	.	.	H	α-helix	trans	-61.8	-41.7	175.1	-54.8	0	0	0	0	111.1	L647 Q648 E654 A655	L647-T651 WeakPolarHBondContact O-CB 3.46Å; L647-T651 PolarHBondContact O-N 3.06Å; L647-T651 PolarHBondContact O-OG1 3.36Å; Q648-T651 PolarHBondContact O-N 2.94Å; T651-E654 PolarHBondContact O-N 3.27Å; T651-A655 WeakPolarHBondContact O-CB 3.38Å; T651-A655 PolarHBondContact O-N 3.48Å
652	A	85.6	Confident	75	Confident	43 Å²	43	84.6 Å²	84.6	36%	0.355	44%	0.439	S	S	.	.	H	α-helix	trans	-64.7	-46.7	177.5	0	0	0	0	0	112	Q648 M649 S650 E654 A655 I656	Q648-A652 WeakPolarHBondContact O-CB 3.25Å; Q648-A652 PolarHBondContact O-N 2.92Å; M649-A652 PolarHBondContact O-N 3.41Å; S650-A652 VanDerWaalsContact C-N 3.33Å; S650-A652 PolarHBondContact O-N 3.42Å; A652-E654 PolarHBondContact O-N 2.88Å; A652-A655 PolarHBondContact O-N 3.36Å; A652-I656 WeakPolarHBondContact O-CD1 3.48Å; A652-I656 VanDerWaalsContact O-CG1 3.26Å; A652-I656 WeakPolarHBondContact O-CG1 3.46Å; A652-I656 PolarHBondContact O-N 2.87Å
653	K	83	Confident	74.2	Confident	120 Å²	120	86.3 Å²	86.3	52%	0.522	45%	0.453	S	S	.	.	H	α-helix	trans	-57	-48.5	174.6	176.1	-174.1	172.3	179.1	0	111.1	M649 S650 A655 I656 L657	M649-K653 WeakPolarHBondContact O-CB 3.38Å; M649-K653 PolarHBondContact O-N 2.81Å; S650-K653 PolarHBondContact O-N 2.91Å; K653-A655 VanDerWaalsContact C-N 3.34Å; K653-A655 PolarHBondContact O-N 2.74Å; K653-I656 PolarHBondContact O-N 2.88Å; K653-L657 HydrophobicContact CG-CD1 3.98Å; K653-L657 HydrophobicContact CG-CG 4.48Å; K653-L657 WeakPolarHBondContact O-CG 3.27Å; K653-L657 PolarHBondContact O-N 3.48Å
654	E	77.3	Confident	74	Confident	82 Å²	82	90.2 Å²	90.2	38%	0.383	47%	0.472	S	S	.	.	H	α-helix	trans	-63.6	-40.8	179.5	-164.9	-170.3	159.5	0	0	111.6	S650 T651 A652 I656 L657 K658	S650-E654 WeakPolarHBondContact O-CB 3.34Å; S650-E654 PolarHBondContact O-N 3.01Å; T651-E654 PolarHBondContact O-N 3.27Å; A652-E654 PolarHBondContact O-N 2.88Å; E654-I656 VanDerWaalsContact C-N 3.35Å; E654-I656 PolarHBondContact O-N 3.09Å; E654-L657 PolarHBondContact O-N 3.17Å; E654-K658 HydrophobicContact CG-CD 4.2Å; E654-K658 VanDerWaalsContact O-CB 3.28Å; E654-K658 WeakPolarHBondContact O-CB 3.45Å; E654-K658 VanDerWaalsContact O-CG 3.31Å; E654-K658 WeakPolarHBondContact O-CG 3.11Å; E654-K658 PolarHBondContact O-N 2.82Å; E654-K658 WeakPolarHBondContact OE1-CE 3.25Å; E654-K658 IonicContact OE1-NZ 3.39Å; E654-K658 PolarHBondContact OE1-NZ 3.3Å
655	A	82.3	Confident	73.2	Confident	47 Å²	47	93 Å²	93	39%	0.388	48%	0.479	S	S	.	.	H	α-helix	trans	-60.8	-43.1	175	0	0	0	0	0	111.9	T651 A652 K653 K658 L659	T651-A655 WeakPolarHBondContact O-CB 3.38Å; T651-A655 PolarHBondContact O-N 3.48Å; A652-A655 PolarHBondContact O-N 3.36Å; K653-A655 VanDerWaalsContact C-N 3.34Å; K653-A655 PolarHBondContact O-N 2.74Å; A655-K658 PolarHBondContact O-N 3.3Å; A655-L659 WeakPolarHBondContact O-CD1 3.03Å; A655-L659 WeakPolarHBondContact O-CG 3.3Å; A655-L659 PolarHBondContact O-N 3.04Å
656	I	85	Confident	72.3	Confident	43 Å²	43	86.8 Å²	86.8	22%	0.221	46%	0.46	C	S	.	.	H	α-helix	trans	-64.5	-44.8	176.4	-67.9	160.8	0	0	0	111.2	A652 K653 E654 K658 L659 G660 L762 L765	A652-I656 WeakPolarHBondContact O-CD1 3.48Å; A652-I656 VanDerWaalsContact O-CG1 3.26Å; A652-I656 WeakPolarHBondContact O-CG1 3.46Å; A652-I656 PolarHBondContact O-N 2.87Å; K653-I656 PolarHBondContact O-N 2.88Å; E654-I656 VanDerWaalsContact C-N 3.35Å; E654-I656 PolarHBondContact O-N 3.09Å; I656-K658 VanDerWaalsContact C-N 3.33Å; I656-K658 PolarHBondContact O-N 2.73Å; I656-L659 WeakPolarHBondContact O-CB 3.48Å; I656-L659 PolarHBondContact O-N 3.07Å; I656-G660 PolarHBondContact O-N 2.74Å; I656-G660 VanDerWaalsContact O-N 3.09Å; I656-L762 HydrophobicContact CD1-CD2 3.8Å; I656-L765 HydrophobicContact CD1-CD1 4.29Å; I656-L765 HydrophobicContact CG1-CD1 3.7Å
657	L	80.4	Confident	71.7	Confident	123 Å²	123	89.9 Å²	89.9	64%	0.644	47%	0.473	S	S	*	.	H	α-helix	trans	-66.9	-34.4	177.4	-69.4	174.4	0	0	0	112.2	K653 E654 G660	K653-L657 HydrophobicContact CG-CD1 3.98Å; K653-L657 HydrophobicContact CG-CG 4.48Å; K653-L657 WeakPolarHBondContact O-CG 3.27Å; K653-L657 PolarHBondContact O-N 3.48Å; E654-L657 PolarHBondContact O-N 3.17Å; L657-G660 VanDerWaalsContact O-CA 3.3Å; L657-G660 WeakPolarHBondContact O-CA 3.46Å; L657-G660 PolarHBondContact O-N 3.02Å; L657-G660 VanDerWaalsContact O-N 3.11Å
658	K	76.6	Confident	71.6	Confident	125 Å²	125	89 Å²	89	54%	0.543	47%	0.47	S	S	.	.	H	α-helix	trans	-68.3	-36	174.1	-82.2	174.6	167.2	167.2	0	112.6	E654 A655 I656 G660	E654-K658 HydrophobicContact CG-CD 4.2Å; E654-K658 VanDerWaalsContact O-CB 3.28Å; E654-K658 WeakPolarHBondContact O-CB 3.45Å; E654-K658 VanDerWaalsContact O-CG 3.31Å; E654-K658 WeakPolarHBondContact O-CG 3.11Å; E654-K658 PolarHBondContact O-N 2.82Å; E654-K658 WeakPolarHBondContact OE1-CE 3.25Å; E654-K658 IonicContact OE1-NZ 3.39Å; E654-K658 PolarHBondContact OE1-NZ 3.3Å; A655-K658 PolarHBondContact O-N 3.3Å; I656-K658 VanDerWaalsContact C-N 3.33Å; I656-K658 PolarHBondContact O-N 2.73Å; K658-G660 PolarHBondContact O-N 3.49Å
659	L	76.4	Confident	71.5	Confident	79 Å²	79	83.9 Å²	83.9	41%	0.414	44%	0.444	S	S	.	.	H	α-helix	trans	-59.9	-36.9	168.1	-80.3	150.5	0	0	0	110.5	A655 I656 N764 L765	A655-L659 WeakPolarHBondContact O-CD1 3.03Å; A655-L659 WeakPolarHBondContact O-CG 3.3Å; A655-L659 PolarHBondContact O-N 3.04Å; I656-L659 WeakPolarHBondContact O-CB 3.48Å; I656-L659 PolarHBondContact O-N 3.07Å; L659-N764 HydrophobicContact CB-CB 4.34Å; L659-N764 PolarHBondContact O-ND2 2.98Å; L659-L765 HydrophobicContact CD1-CD1 4.41Å; L659-L765 HydrophobicContact CD1-CD2 4.08Å; L659-L765 HydrophobicContact CD1-CG 4.04Å
660	G	68.7	Low	71.7	Confident	23 Å²	23	82.1 Å²	82.1	24%	0.237	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	58	-159.3	171.2	0	0	0	0	0	113.4	I656 L657 K658 K662 N764	I656-G660 PolarHBondContact O-N 2.74Å; I656-G660 VanDerWaalsContact O-N 3.09Å; L657-G660 VanDerWaalsContact O-CA 3.3Å; L657-G660 WeakPolarHBondContact O-CA 3.46Å; L657-G660 PolarHBondContact O-N 3.02Å; L657-G660 VanDerWaalsContact O-N 3.11Å; K658-G660 PolarHBondContact O-N 3.49Å; G660-K662 VanDerWaalsContact C-N 3.33Å; G660-N764 VanDerWaalsContact O-CG 3.3Å; G660-N764 PolarHBondContact O-ND2 3.39Å
661	N	66.3	Low	72.5	Confident	158 Å²	158	80.1 Å²	80.1	85%	0.845	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	15.9	173	-66.9	-10.5	0	0	0	112.4
662	K	60.7	Low	72.9	Confident	148 Å²	148	78.7 Å²	78.7	64%	0.643	41%	0.406	S	S	*	.	S	Bend	trans	-60.9	131.3	176.2	-69.5	-178.7	-179	175.8	0	107.3	G660 I664 N764	G660-K662 VanDerWaalsContact C-N 3.33Å; K662-I664 PolarHBondContact O-N 2.87Å; K662-I664 VanDerWaalsContact O-N 3.15Å; K662-N764 PolarHBondContact O-ND2 2.85Å
663	P	58.1	Low	73.3	Confident	103 Å²	103	76.6 Å²	76.6	67%	0.669	39%	0.389	S	S	*	.			trans	-55.4	128.1	177.6	23.4	-32.4	0	0	0	107.6	H665	P663-H665 PolarHBondContact O-N 3.44Å
664	I	60.5	Low	73.9	Confident	90 Å²	90	71 Å²	71	46%	0.462	36%	0.364	S	S	.	.			trans	-51.1	113.6	175.7	-60.9	171.3	0	0	0	105.6	K662 T666 N764	K662-I664 PolarHBondContact O-N 2.87Å; K662-I664 VanDerWaalsContact O-N 3.15Å; I664-T666 PolarHBondContact O-N 3.21Å; I664-N764 HydrophobicContact CG1-CB 4.45Å
665	H	55.7	Low	74.7	Confident	143 Å²	143	67.1 Å²	67.1	66%	0.662	35%	0.346	S	S	*	.			trans	-58.4	105.6	-173.8	-74.6	-61.7	0	0	0	108.6	P663 K667 N668	P663-H665 PolarHBondContact O-N 3.44Å; H665-K667 PolarHBondContact O-N 3.41Å; H665-N668 PolarHBondContact O-N 2.92Å
666	T	55.5	Low	75.2	Confident	40 Å²	40	66 Å²	66	25%	0.245	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-5.5	178.5	35.7	0	0	0	0	112.6	I664 N668 M920 V1162	I664-T666 PolarHBondContact O-N 3.21Å; T666-N668 PolarHBondContact O-N 3.47Å; T666-M920 PolarHBondContact OG1-SD 3.37Å; T666-V1162 CarbonylContact O-C 3.48Å; T666-V1162 WeakPolarHBondContact O-CB 3.4Å
667	K	56.6	Low	75.5	Confident	65 Å²	65	64 Å²	64	28%	0.283	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-30.8	175.2	-65.8	-163	-179.4	-157.5	0	112.6	H665 I922 E926 T1164	H665-K667 PolarHBondContact O-N 3.41Å; K667-I922 HydrophobicContact CD-CG1 4.42Å; K667-I922 HydrophobicContact CG-CD1 4.45Å; K667-I922 HydrophobicContact CG-CG1 4.34Å; K667-E926 IonicContact NZ-OE2 3.5Å; K667-E926 PolarHBondContact NZ-OE2 3.38Å; K667-T1164 WeakPolarHBondContact O-CB 3.45Å; K667-T1164 WeakPolarHBondContact O-CG2 3.4Å; K667-T1164 PolarHBondContact O-N 3.35Å; K667-T1164 PolarHBondContact O-OG1 3.19Å
668	N	66.9	Low	75.9	Confident	73 Å²	73	59.3 Å²	59.3	39%	0.39	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-135.7	76.6	175.1	-80.6	-23.7	0	0	0	110.7	H665 T666 R670 T1164 A1165	H665-N668 PolarHBondContact O-N 2.92Å; T666-N668 PolarHBondContact O-N 3.47Å; N668-R670 PolarHBondContact O-N 3.11Å; N668-T1164 PolarHBondContact OD1-N 2.68Å; N668-T1164 PolarHBondContact OD1-OG1 3.38Å; N668-A1165 WeakPolarHBondContact OD1-CB 3.35Å; N668-A1165 PolarHBondContact OD1-N 3.04Å
669	W	77.3	Confident	76.3	Confident	30 Å²	30	54.5 Å²	54.5	11%	0.114	28%	0.279	C	S	.	.			trans	-62.2	134.8	172.8	-170	99.8	0	0	0	110.9	P671 N768 T769 A805 L838 L841 E1161 V1162 I1163	W669-P671 HydrophobicContact CH2-CB 3.81Å; W669-P671 HydrophobicContact CZ3-CB 3.85Å; W669-P671 HydrophobicContact CZ3-CG 4.25Å; W669-N768 HydrophobicContact CZ2-CB 4.45Å; W669-N768 PolarHBondContact NE1-ND2 3.2Å; W669-T769 VanDerWaalsContact CH2-OG1 3.23Å; W669-T769 WeakPolarHBondContact CH2-OG1 3.25Å; W669-T769 WeakPolarHBondContact CZ2-OG1 3.02Å; W669-A805 HydrophobicContact CH2-CB 4.29Å; W669-A805 HydrophobicContact CZ2-CB 4.02Å; W669-L838 HydrophobicContact CE3-CD1 4.05Å; W669-L838 HydrophobicContact CH2-CD1 3.4Å; W669-L838 VanDerWaalsContact CH2-CD1 3.4Å; W669-L838 HydrophobicContact CZ2-CD1 4.39Å; W669-L838 HydrophobicContact CZ3-CD1 3.2Å; W669-L841 HydrophobicContact CE3-CD2 3.89Å; W669-L841 HydrophobicContact CZ3-CD2 4.11Å; W669-L841 WeakPolarHBondContact O-CD2 3.31Å; W669-E1161 HydrophobicContact CB-CB 4.46Å; W669-E1161 HydrophobicContact CD2-CB 4.25Å; W669-E1161 HydrophobicContact CD2-CG 3.83Å; W669-E1161 HydrophobicContact CE3-CG 4.48Å; W669-E1161 HydrophobicContact CG-CB 4.09Å; W669-E1161 HydrophobicContact CG-CG 3.98Å; W669-E1161 HydrophobicContact CZ2-CG 4.12Å; W669-V1162 WeakPolarHBondContact CB-O 3.12Å; W669-V1162 PolarHBondContact N-O 2.93Å; W669-I1163 HydrophobicContact CB-CG1 4.2Å
670	R	81.8	Confident	76.6	Confident	63 Å²	63	52.6 Å²	52.6	24%	0.238	27%	0.269	C	S	.	.			trans	-133.7	144.7	172.4	-70.5	-160.9	-173.7	-83.1	5.6	110.6	N668 Q672 N768 S1167 E1168	N668-R670 PolarHBondContact O-N 3.11Å; R670-Q672 PolarHBondContact O-N 2.85Å; R670-N768 PolarHBondContact O-ND2 3.03Å; R670-S1167 PolarHBondContact NH1-O 3.28Å; R670-S1167 VanDerWaalsContact NH2-C 3.3Å; R670-S1167 PolarHBondContact NH2-O 3.16Å; R670-S1167 PolarHBondContact NH2-OG 2.94Å; R670-E1168 PolarHBondContact NH2-O 3.05Å; R670-E1168 PolarHBondContact NH2-OXT 3.3Å
671	P	86.8	Confident	77	Confident	5 Å²	5	60.1 Å²	60.1	3%	0.032	30%	0.298	C	S	.	.			trans	-71.1	118.9	-178.9	27.7	-32.9	0	0	0	111	W669 I673 K698 L845	W669-P671 HydrophobicContact CH2-CB 3.81Å; W669-P671 HydrophobicContact CZ3-CB 3.85Å; W669-P671 HydrophobicContact CZ3-CG 4.25Å; P671-I673 HydrophobicContact CB-CG1 4.2Å; P671-K698 WeakPolarHBondContact O-CE 3.37Å; P671-K698 PolarHBondContact O-NZ 3.28Å; P671-L845 HydrophobicContact CG-CD1 3.74Å
672	Q	89.9	Confident	77.7	Confident	49 Å²	49	58.4 Å²	58.4	23%	0.229	29%	0.289	C	S	.	.			trans	-106	107.9	166.9	-50.9	-57.3	-8.9	0	0	106.9	R670 L703 H767 N768 T769	R670-Q672 PolarHBondContact O-N 2.85Å; Q672-L703 HydrophobicContact CB-CB 4.35Å; Q672-L703 PolarHBondContact OE1-O 3.22Å; Q672-H767 WeakPolarHBondContact O-CA 3.42Å; Q672-N768 WeakPolarHBondContact CA-OD1 3.31Å; Q672-N768 PolarHBondContact N-OD1 3.13Å; Q672-N768 PolarHBondContact O-N 3.46Å; Q672-N768 PolarHBondContact O-OD1 3.49Å; Q672-T769 PolarHBondContact O-N 3.45Å
673	I	93	Very high	78.6	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	125.9	-158.8	-51.2	177.8	0	0	0	110.1	P671 V675 L697 K698 L703 T704 L705 T769 M771	P671-I673 HydrophobicContact CB-CG1 4.2Å; I673-V675 HydrophobicContact CG2-CG2 3.7Å; I673-L697 HydrophobicContact CD1-CD2 3.61Å; I673-L697 HydrophobicContact CD1-CG 4.33Å; I673-K698 HydrophobicContact CD1-CD 3.87Å; I673-K698 HydrophobicContact CD1-CG 3.65Å; I673-K698 HydrophobicContact CG1-CD 4.23Å; I673-K698 HydrophobicContact CG1-CG 4.41Å; I673-L703 PolarHBondContact N-O 3.37Å; I673-T704 CarbonylContact O-C 3.46Å; I673-T704 WeakPolarHBondContact O-CA 3.24Å; I673-L705 PolarHBondContact O-N 2.97Å; I673-T769 CarbonylContact C-O 3.6Å; I673-T769 WeakPolarHBondContact CA-O 3.37Å; I673-M771 HydrophobicContact CG2-CB 3.65Å; I673-M771 HydrophobicContact CG2-SD 4.24Å
674	L	95	Very high	79.6	Confident	2 Å²	2	54 Å²	54	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	113.9	162.6	173.6	64.9	0	0	0	108	L705 A707 M756 A760 H767 T769 L770 M771	L674-L705 CarbonylContact C-O 3.52Å; L674-L705 WeakPolarHBondContact CA-O 3.11Å; L674-L705 HydrophobicContact CD1-CB 3.78Å; L674-A707 HydrophobicContact CD1-CB 3.63Å; L674-M756 HydrophobicContact CD1-CG 4.07Å; L674-M756 HydrophobicContact CD1-SD 4.38Å; L674-M756 HydrophobicContact CD2-CG 3.75Å; L674-M756 HydrophobicContact CG-CG 4.44Å; L674-A760 HydrophobicContact CD1-CB 4.37Å; L674-A760 HydrophobicContact CD2-CB 4.4Å; L674-H767 HydrophobicContact CB-CB 3.64Å; L674-T769 PolarHBondContact N-O 3.12Å; L674-L770 HydrophobicContact CB-CD1 4.19Å; L674-L770 HydrophobicContact CD2-CD1 3.68Å; L674-L770 HydrophobicContact CG-CD1 3.83Å; L674-L770 CarbonylContact O-C 3.59Å; L674-L770 WeakPolarHBondContact O-CA 3.46Å; L674-M771 PolarHBondContact O-N 3.2Å
675	V	94.2	Very high	80.4	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	118.8	-177.6	-174	0	0	0	0	108.1	I673 L690 L691 V694 T704 L705 V706 A707 M771	I673-V675 HydrophobicContact CG2-CG2 3.7Å; V675-L690 HydrophobicContact CG1-CD2 3.54Å; V675-L690 HydrophobicContact CG1-CG 3.87Å; V675-L691 HydrophobicContact CG1-CD2 4.33Å; V675-V694 HydrophobicContact CB-CG2 4.48Å; V675-V694 HydrophobicContact CG1-CG2 4.2Å; V675-V694 HydrophobicContact CG2-CB 4.42Å; V675-V694 HydrophobicContact CG2-CG1 4.13Å; V675-V694 HydrophobicContact CG2-CG2 3.43Å; V675-V694 VanDerWaalsContact CG2-CG2 3.43Å; V675-T704 HydrophobicContact CG2-CG2 4.35Å; V675-L705 PolarHBondContact N-O 3.21Å; V675-V706 HydrophobicContact CB-CG2 4.37Å; V675-A707 PolarHBondContact O-N 3.2Å; V675-M771 HydrophobicContact CG2-CB 4.47Å
676	Y	93.4	Very high	81.2	Confident	25 Å²	25	51.2 Å²	51.2	10%	0.098	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	117.4	171.2	174.2	-116.4	0	0	0	110.1	P678 A707 I709 I749 M753 M771 V772	Y676-P678 HydrophobicContact CE1-CB 4.31Å; Y676-A707 WeakPolarHBondContact CA-O 3.05Å; Y676-I709 HydrophobicContact CD2-CD1 4.12Å; Y676-I709 HydrophobicContact CD2-CG1 4.37Å; Y676-I709 HydrophobicContact CE2-CB 4.09Å; Y676-I709 HydrophobicContact CE2-CD1 3.69Å; Y676-I709 HydrophobicContact CE2-CG1 3.87Å; Y676-I749 WeakPolarHBondContact OH-CG2 3.26Å; Y676-M753 HydrophobicContact CD1-CE 3.62Å; Y676-M753 HydrophobicContact CD2-CE 3.64Å; Y676-M753 HydrophobicContact CE1-CE 4.05Å; Y676-M753 HydrophobicContact CE2-CE 4.09Å; Y676-M753 HydrophobicContact CG-CE 3.38Å; Y676-M771 PolarHBondContact N-O 2.89Å; Y676-V772 HydrophobicContact CD1-CG1 4.21Å
677	L	91.4	Very high	82.2	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.241	C	C	.	.			trans	-113.3	108.7	178	-165.4	67.4	0	0	0	109.8	L679 A685 L690 L691 V706 A707 S708 L728	L677-L679 PolarHBondContact O-N 2.72Å; L677-A685 HydrophobicContact CD1-CB 4.09Å; L677-A685 HydrophobicContact CD2-CB 3.43Å; L677-A685 VanDerWaalsContact CD2-CB 3.43Å; L677-A685 HydrophobicContact CG-CB 3.71Å; L677-L690 HydrophobicContact CD1-CD2 4.35Å; L677-L691 HydrophobicContact CD2-CD1 3.96Å; L677-V706 HydrophobicContact CB-CG1 4.38Å; L677-A707 PolarHBondContact N-O 2.99Å; L677-S708 WeakPolarHBondContact O-CB 3.3Å; L677-S708 PolarHBondContact O-OG 2.93Å; L677-L728 HydrophobicContact CD2-CD1 3.71Å
678	P	88.3	Confident	83.3	Confident	24 Å²	24	51.7 Å²	51.7	16%	0.156	24%	0.244	C	C	.	.			trans	-71	123.6	175.7	28.4	-32.5	0	0	0	110	Y676 R686	Y676-P678 HydrophobicContact CE1-CB 4.31Å; P678-R686 PolarHBondContact O-N 2.96Å
679	L	86.7	Confident	84.3	Confident	25 Å²	25	52.3 Å²	52.3	13%	0.131	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-94.3	146.9	173.8	-63.6	173.7	0	0	0	109.9	L677 Q684 A685 S708 A724	L677-L679 PolarHBondContact O-N 2.72Å; L679-Q684 WeakPolarHBondContact CA-O 3.47Å; L679-A685 HydrophobicContact CD2-CB 3.97Å; L679-S708 VanDerWaalsContact CD1-OG 3.3Å; L679-S708 WeakPolarHBondContact CD1-OG 3.33Å; L679-S708 VanDerWaalsContact CG-OG 3.22Å; L679-S708 WeakPolarHBondContact CG-OG 3.47Å; L679-A724 HydrophobicContact CD1-CB 4.06Å
680	D	82.2	Confident	84.9	Confident	39 Å²	39	50.9 Å²	50.9	21%	0.209	24%	0.236	C	C	.	.			trans	-82.4	-179.4	168.6	73.9	4.2	0	0	0	112	N682 F683 Q684	D680-N682 PolarHBondContact O-N 2.81Å; D680-N682 VanDerWaalsContact OD1-CA 3.29Å; D680-N682 WeakPolarHBondContact OD1-CA 3.39Å; D680-N682 WeakPolarHBondContact OD1-CB 3.44Å; D680-N682 PolarHBondContact OD1-N 3.13Å; D680-F683 PolarHBondContact O-N 3.49Å; D680-F683 PolarHBondContact OD1-N 2.98Å; D680-Q684 PolarHBondContact N-O 3.06Å; D680-Q684 WeakPolarHBondContact OD1-CA 3.36Å; D680-Q684 PolarHBondContact OD1-N 3.13Å
681	E	77.7	Confident	85.3	Confident	181 Å²	181	47.9 Å²	47.9	85%	0.846	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-19.2	178.2	-65.1	-176.6	173.2	0	0	113.1
682	N	80.2	Confident	85.4	Confident	121 Å²	121	48.3 Å²	48.3	65%	0.647	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97	11.5	176.6	-62	-41.4	0	0	0	112.7	D680 Q684	D680-N682 PolarHBondContact O-N 2.81Å; D680-N682 VanDerWaalsContact OD1-CA 3.29Å; D680-N682 WeakPolarHBondContact OD1-CA 3.39Å; D680-N682 WeakPolarHBondContact OD1-CB 3.44Å; D680-N682 PolarHBondContact OD1-N 3.13Å; N682-Q684 HydrophobicContact CB-CG 4.36Å; N682-Q684 PolarHBondContact O-N 3.38Å
683	F	79.4	Confident	85.5	Confident	38 Å²	38	46.1 Å²	46.1	17%	0.167	22%	0.216	C	C	.	.	S	Bend	trans	59.8	19.3	-175.1	-46.4	-62.9	0	0	0	115.3	D680 L710 D720 A723 A724 H727	D680-F683 PolarHBondContact O-N 3.49Å; D680-F683 PolarHBondContact OD1-N 2.98Å; F683-L710 HydrophobicContact CE1-CD2 4.46Å; F683-D720 HydrophobicContact CE1-CB 3.99Å; F683-D720 HydrophobicContact CZ-CB 3.62Å; F683-A723 HydrophobicContact CE2-CB 4.48Å; F683-A724 HydrophobicContact CD1-CB 3.78Å; F683-A724 HydrophobicContact CE1-CB 4.12Å; F683-A724 HydrophobicContact CG-CB 4.41Å; F683-H727 PolarHBondContact O-CE1 3.38Å; F683-H727 VanDerWaalsContact O-CE1 3.23Å; F683-H727 PolarHBondContact O-ND1 2.65Å
684	Q	80.2	Confident	85.4	Confident	121 Å²	121	46.2 Å²	46.2	57%	0.565	22%	0.217	S	C	*	.			trans	-81.9	135.9	170	-57.1	-170.4	-15	0	0	109.6	L679 D680 N682	L679-Q684 WeakPolarHBondContact CA-O 3.47Å; D680-Q684 PolarHBondContact N-O 3.06Å; D680-Q684 WeakPolarHBondContact OD1-CA 3.36Å; D680-Q684 PolarHBondContact OD1-N 3.13Å; N682-Q684 HydrophobicContact CB-CG 4.36Å; N682-Q684 PolarHBondContact O-N 3.38Å
685	A	77.1	Confident	85.2	Confident	13 Å²	13	49 Å²	49	11%	0.107	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-79.9	126.2	177.2	0	0	0	0	0	109.7	L677 L679 H687 D688 L731	L677-A685 HydrophobicContact CD1-CB 4.09Å; L677-A685 HydrophobicContact CD2-CB 3.43Å; L677-A685 VanDerWaalsContact CD2-CB 3.43Å; L677-A685 HydrophobicContact CG-CB 3.71Å; L679-A685 HydrophobicContact CD2-CB 3.97Å; A685-H687 PolarHBondContact O-N 3.19Å; A685-D688 WeakPolarHBondContact CB-OD1 3.46Å; A685-L731 HydrophobicContact CB-CD1 4.08Å
686	R	71.8	Confident	85	Confident	161 Å²	161	49.1 Å²	49.1	61%	0.608	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-27	-177.7	-68.9	-173	-176.3	176.2	2.3	113.1	P678	P678-R686 PolarHBondContact O-N 2.96Å
687	H	77.1	Confident	84.8	Confident	48 Å²	48	48.3 Å²	48.3	22%	0.222	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.9	61.6	-171.2	-54.9	107.8	0	0	0	111.9	A685 R689 L690 I812	A685-H687 PolarHBondContact O-N 3.19Å; H687-R689 PolarHBondContact O-N 2.88Å; H687-R689 VanDerWaalsContact O-N 3.11Å; H687-L690 WeakPolarHBondContact O-CB 3.27Å; H687-L690 PolarHBondContact O-N 3.11Å; H687-I812 HydrophobicContact CB-CG2 4.31Å
688	D	80	Confident	84.6	Confident	67 Å²	67	49.3 Å²	49.3	36%	0.358	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-31.4	179.7	-72.2	-6.3	0	0	0	113.4	A685 L690 L691	A685-D688 WeakPolarHBondContact CB-OD1 3.46Å; D688-L690 PolarHBondContact O-N 3.46Å; D688-L690 VanDerWaalsContact O-N 3.1Å; D688-L691 WeakPolarHBondContact O-CB 3.26Å; D688-L691 PolarHBondContact O-N 3.36Å
689	R	86.7	Confident	84.1	Confident	87 Å²	87	50.8 Å²	50.8	33%	0.328	24%	0.244	S	C	.	.	H	α-helix	trans	-61.9	-19.2	177.2	-63.8	-162.4	-169	-168.1	16.8	114.1	H687 L691 D692 L693 I812 D813 F815	H687-R689 PolarHBondContact O-N 2.88Å; H687-R689 VanDerWaalsContact O-N 3.11Å; R689-L691 PolarHBondContact O-N 3.07Å; R689-D692 WeakPolarHBondContact O-CB 3.42Å; R689-D692 PolarHBondContact O-N 3.37Å; R689-L693 PolarHBondContact O-N 2.87Å; R689-L693 VanDerWaalsContact O-N 3.12Å; R689-I812 HydrophobicContact CB-CD1 4.45Å; R689-I812 HydrophobicContact CB-CG1 4.04Å; R689-I812 WeakPolarHBondContact CD-O 3.34Å; R689-D813 PolarHBondContact NH1-O 3.18Å; R689-D813 PolarHBondContact NH2-O 3.42Å; R689-F815 PolarHBondContact NH1-O 3.31Å
690	L	90.3	Very high	83.4	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-59.3	-38	171.9	-171.1	64	0	0	0	111.1	V675 L677 H687 D688 L693 V694 M771 P809 I812	V675-L690 HydrophobicContact CG1-CD2 3.54Å; V675-L690 HydrophobicContact CG1-CG 3.87Å; L677-L690 HydrophobicContact CD1-CD2 4.35Å; H687-L690 WeakPolarHBondContact O-CB 3.27Å; H687-L690 PolarHBondContact O-N 3.11Å; D688-L690 PolarHBondContact O-N 3.46Å; D688-L690 VanDerWaalsContact O-N 3.1Å; L690-L693 PolarHBondContact O-N 3.11Å; L690-V694 VanDerWaalsContact O-CG2 3.22Å; L690-V694 WeakPolarHBondContact O-CG2 3.47Å; L690-V694 PolarHBondContact O-N 3.22Å; L690-M771 HydrophobicContact CD1-CE 3.59Å; L690-M771 HydrophobicContact CD1-CG 4.15Å; L690-M771 HydrophobicContact CD1-SD 4.23Å; L690-P809 HydrophobicContact CD1-CG 3.57Å; L690-I812 HydrophobicContact CB-CG1 4.46Å; L690-I812 HydrophobicContact CD1-CD1 4.29Å
691	L	90.3	Very high	83.3	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-72.8	-35.3	179.5	-65.1	174.5	0	0	0	111.8	V675 L677 D688 R689 L693 V694 Y695 V706 L731 H735 I737	V675-L691 HydrophobicContact CG1-CD2 4.33Å; L677-L691 HydrophobicContact CD2-CD1 3.96Å; D688-L691 WeakPolarHBondContact O-CB 3.26Å; D688-L691 PolarHBondContact O-N 3.36Å; R689-L691 PolarHBondContact O-N 3.07Å; L691-L693 VanDerWaalsContact C-N 3.31Å; L691-L693 PolarHBondContact O-N 3.4Å; L691-V694 WeakPolarHBondContact O-CB 3.48Å; L691-V694 PolarHBondContact O-N 2.97Å; L691-Y695 PolarHBondContact O-N 3.15Å; L691-V706 HydrophobicContact CD2-CG1 3.92Å; L691-V706 HydrophobicContact CD2-CG2 3.9Å; L691-L731 HydrophobicContact CD1-CD2 2.96Å; L691-L731 HydrophobicContact CD1-CG 4.43Å; L691-L731 HydrophobicContact CG-CD2 4.41Å; L691-H735 HydrophobicContact CB-CB 4.33Å; L691-I737 HydrophobicContact CB-CD1 3.64Å; L691-I737 HydrophobicContact CD2-CD1 3.85Å; L691-I737 HydrophobicContact CG-CD1 4.28Å; L691-I737 WeakPolarHBondContact O-CD1 3.16Å
692	D	89.5	Confident	83.5	Confident	13 Å²	13	48.1 Å²	48.1	7%	0.07	25%	0.249	C	C	.	.	H	α-helix	trans	-59.3	-43	170.2	-86.8	-35.3	0	0	0	112	R689 V694 Y695 Q696 H735 L817 S818	R689-D692 WeakPolarHBondContact O-CB 3.42Å; R689-D692 PolarHBondContact O-N 3.37Å; D692-V694 VanDerWaalsContact C-N 3.34Å; D692-V694 PolarHBondContact O-N 3.47Å; D692-Y695 PolarHBondContact O-N 3.2Å; D692-Q696 WeakPolarHBondContact O-CB 3.39Å; D692-Q696 WeakPolarHBondContact O-CG 3.34Å; D692-Q696 PolarHBondContact O-N 3.07Å; D692-Q696 PolarHBondContact O-NE2 2.95Å; D692-H735 IonicContact OD1-CD2 2.82Å; D692-L817 WeakPolarHBondContact OD2-CA 3.48Å; D692-L817 VanDerWaalsContact OD2-CD2 3.29Å; D692-L817 WeakPolarHBondContact OD2-CD2 2.9Å; D692-S818 WeakPolarHBondContact CA-OG 3.36Å; D692-S818 WeakPolarHBondContact CB-OG 3.1Å; D692-S818 VanDerWaalsContact CG-OG 3.29Å; D692-S818 PolarHBondContact O-OG 2.63Å; D692-S818 WeakPolarHBondContact OD1-CB 3.21Å; D692-S818 PolarHBondContact OD1-N 3.05Å; D692-S818 PolarHBondContact OD1-OG 3.18Å
693	L	90.8	Very high	83.9	Confident	4 Å²	4	44.2 Å²	44.2	2%	0.021	23%	0.228	C	C	.	.	H	α-helix	trans	-64.7	-38.5	176.1	-177.9	57.4	0	0	0	112	R689 L690 L691 Q696 L697 M771 P809 I812 F815 L846	R689-L693 PolarHBondContact O-N 2.87Å; R689-L693 VanDerWaalsContact O-N 3.12Å; L690-L693 PolarHBondContact O-N 3.11Å; L691-L693 VanDerWaalsContact C-N 3.31Å; L691-L693 PolarHBondContact O-N 3.4Å; L693-Q696 WeakPolarHBondContact O-CB 3.38Å; L693-Q696 PolarHBondContact O-N 2.95Å; L693-L697 WeakPolarHBondContact O-CB 3.42Å; L693-L697 PolarHBondContact O-N 3.48Å; L693-M771 HydrophobicContact CB-CE 4.11Å; L693-M771 HydrophobicContact CD2-CE 3.37Å; L693-M771 HydrophobicContact CG-CE 3.64Å; L693-P809 HydrophobicContact CD2-CB 3.81Å; L693-P809 HydrophobicContact CD2-CG 4.1Å; L693-I812 HydrophobicContact CD2-CD1 4.27Å; L693-F815 HydrophobicContact CD1-CD1 3.85Å; L693-F815 HydrophobicContact CD1-CE1 3.86Å; L693-F815 HydrophobicContact CD2-CD1 3.98Å; L693-F815 HydrophobicContact CD2-CE1 3.76Å; L693-F815 HydrophobicContact CD2-CZ 4.3Å; L693-F815 HydrophobicContact CG-CD1 4.41Å; L693-F815 HydrophobicContact CG-CE1 4.44Å; L693-L846 HydrophobicContact CD1-CD1 4.07Å
694	V	91.6	Very high	84.5	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-63.9	-44.7	175.5	173	0	0	0	0	111.3	V675 L690 L691 D692 Q696 L697 K698 T704 I737 M771	V675-V694 HydrophobicContact CB-CG2 4.48Å; V675-V694 HydrophobicContact CG1-CG2 4.2Å; V675-V694 HydrophobicContact CG2-CB 4.42Å; V675-V694 HydrophobicContact CG2-CG1 4.13Å; V675-V694 HydrophobicContact CG2-CG2 3.43Å; V675-V694 VanDerWaalsContact CG2-CG2 3.43Å; L690-V694 VanDerWaalsContact O-CG2 3.22Å; L690-V694 WeakPolarHBondContact O-CG2 3.47Å; L690-V694 PolarHBondContact O-N 3.22Å; L691-V694 WeakPolarHBondContact O-CB 3.48Å; L691-V694 PolarHBondContact O-N 2.97Å; D692-V694 VanDerWaalsContact C-N 3.34Å; D692-V694 PolarHBondContact O-N 3.47Å; V694-Q696 VanDerWaalsContact C-N 3.26Å; V694-Q696 PolarHBondContact O-N 2.98Å; V694-L697 PolarHBondContact O-N 3.41Å; V694-K698 WeakPolarHBondContact O-CB 3.36Å; V694-K698 PolarHBondContact O-N 3.37Å; V694-T704 HydrophobicContact CG1-CG2 3.59Å; V694-I737 HydrophobicContact CB-CD1 4.45Å; V694-I737 HydrophobicContact CG1-CD1 4.41Å; V694-M771 HydrophobicContact CG2-CE 4.2Å; V694-M771 HydrophobicContact CG2-SD 3.41Å; V694-M771 WeakPolarHBondContact CG2-SD 3.21Å
695	Y	90.2	Very high	85.2	Confident	62 Å²	62	37.1 Å²	37.1	24%	0.243	20%	0.196	C	C	.	.	H	α-helix	trans	-59.5	-41	173.4	176.5	-98.3	0	0	0	111	L691 D692 A699 H735 R736 S818	L691-Y695 PolarHBondContact O-N 3.15Å; D692-Y695 PolarHBondContact O-N 3.2Å; Y695-A699 WeakPolarHBondContact O-CA 3.24Å; Y695-A699 PolarHBondContact O-N 3.42Å; Y695-H735 WeakPolarHBondContact CD2-O 3.41Å; Y695-R736 HydrophobicContact CD2-CB 4.28Å; Y695-R736 WeakPolarHBondContact CD2-O 3.32Å; Y695-R736 HydrophobicContact CE2-CB 3.85Å; Y695-R736 WeakPolarHBondContact CE2-O 3.39Å; Y695-S818 WeakPolarHBondContact CD1-OG 3.36Å
696	Q	89.9	Confident	86	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-63.9	-43	178.5	-71.7	165.8	35.1	0	0	112.7	D692 L693 V694 P816 L846 N849 V851	D692-Q696 WeakPolarHBondContact O-CB 3.39Å; D692-Q696 WeakPolarHBondContact O-CG 3.34Å; D692-Q696 PolarHBondContact O-N 3.07Å; D692-Q696 PolarHBondContact O-NE2 2.95Å; L693-Q696 WeakPolarHBondContact O-CB 3.38Å; L693-Q696 PolarHBondContact O-N 2.95Å; V694-Q696 VanDerWaalsContact C-N 3.26Å; V694-Q696 PolarHBondContact O-N 2.98Å; Q696-P816 PolarHBondContact NE2-O 3Å; Q696-L846 HydrophobicContact CB-CD1 3.85Å; Q696-N849 VanDerWaalsContact CA-ND2 3.35Å; Q696-N849 WeakPolarHBondContact CA-ND2 3.35Å; Q696-N849 HydrophobicContact CB-CB 4.49Å; Q696-N849 WeakPolarHBondContact O-CB 3.4Å; Q696-N849 PolarHBondContact O-ND2 2.89Å; Q696-V851 HydrophobicContact CG-CG2 4.39Å
697	L	89.9	Confident	87	Confident	8 Å²	8	28.9 Å²	28.9	4%	0.042	16%	0.162	C	C	.	.	H	α-helix	trans	-74.5	-39.2	-177.5	-174.5	62.8	0	0	0	113.3	I673 L693 V694 L807 T842 L845 L846	I673-L697 HydrophobicContact CD1-CD2 3.61Å; I673-L697 HydrophobicContact CD1-CG 4.33Å; L693-L697 WeakPolarHBondContact O-CB 3.42Å; L693-L697 PolarHBondContact O-N 3.48Å; V694-L697 PolarHBondContact O-N 3.41Å; L697-L807 HydrophobicContact CD2-CD1 3.7Å; L697-T842 HydrophobicContact CD1-CG2 3.98Å; L697-L845 HydrophobicContact CD1-CB 3.93Å; L697-L846 HydrophobicContact CD1-CB 4.46Å
698	K	87.4	Confident	87.8	Confident	22 Å²	22	26.6 Å²	26.6	10%	0.096	15%	0.152	C	C	.	.	H	α-helix	trans	-94.7	-23.2	-174.8	-68.4	-77	-87.1	172.4	0	113.8	P671 I673 V694 G700 H701 L703	P671-K698 WeakPolarHBondContact O-CE 3.37Å; P671-K698 PolarHBondContact O-NZ 3.28Å; I673-K698 HydrophobicContact CD1-CD 3.87Å; I673-K698 HydrophobicContact CD1-CG 3.65Å; I673-K698 HydrophobicContact CG1-CD 4.23Å; I673-K698 HydrophobicContact CG1-CG 4.41Å; V694-K698 WeakPolarHBondContact O-CB 3.36Å; V694-K698 PolarHBondContact O-N 3.37Å; K698-G700 PolarHBondContact O-N 2.82Å; K698-H701 WeakPolarHBondContact CD-O 3.38Å; K698-H701 WeakPolarHBondContact CE-O 3.44Å; K698-H701 PolarHBondContact NZ-O 3.44Å; K698-H701 PolarHBondContact O-N 2.96Å; K698-L703 WeakPolarHBondContact CE-O 3.39Å
699	A	78.1	Confident	88.4	Confident	54 Å²	54	23.9 Å²	23.9	45%	0.446	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	26	-176.6	0	0	0	0	0	114.5	Y695	Y695-A699 WeakPolarHBondContact O-CA 3.24Å; Y695-A699 PolarHBondContact O-N 3.42Å
700	G	70.5	Confident	88.6	Confident	21 Å²	21	20.2 Å²	20.2	22%	0.216	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	13.8	-177.1	0	0	0	0	0	116	K698	K698-G700 PolarHBondContact O-N 2.82Å
701	H	80.9	Confident	88.7	Confident	116 Å²	116	24.3 Å²	24.3	54%	0.537	14%	0.143	S	C	.	.			trans	-110.4	143	177.7	-66.3	-89.8	0	0	0	113	K698	K698-H701 WeakPolarHBondContact CD-O 3.38Å; K698-H701 WeakPolarHBondContact CE-O 3.44Å; K698-H701 PolarHBondContact NZ-O 3.44Å; K698-H701 PolarHBondContact O-N 2.96Å
702	G	82	Confident	88.6	Confident	53 Å²	53	25.9 Å²	25.9	55%	0.546	16%	0.159	S	C	.	.	S	Bend	trans	75.3	-176.2	-179.9	0	0	0	0	0	114.4
703	L	87.9	Confident	88.7	Confident	38 Å²	38	29.4 Å²	29.4	20%	0.199	18%	0.178	C	C	.	.			trans	-80.8	131	-178.6	-177.4	66.4	0	0	0	110.7	Q672 I673 K698 L705	Q672-L703 HydrophobicContact CB-CB 4.35Å; Q672-L703 PolarHBondContact OE1-O 3.22Å; I673-L703 PolarHBondContact N-O 3.37Å; K698-L703 WeakPolarHBondContact CE-O 3.39Å; L703-L705 HydrophobicContact CD1-CD2 3.97Å; L703-L705 HydrophobicContact CD1-CG 4.4Å; L703-L705 HydrophobicContact CD2-CG 4.45Å; L703-L705 HydrophobicContact CG-CD2 4.38Å; L703-L705 HydrophobicContact CG-CG 4.27Å
704	T	93.3	Very high	88.6	Confident	4 Å²	4	34 Å²	34	3%	0.025	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	121.4	170.1	-58.9	0	0	0	0	108.1	I673 V675 V694 V706 I737 G739 L740	I673-T704 CarbonylContact O-C 3.46Å; I673-T704 WeakPolarHBondContact O-CA 3.24Å; V675-T704 HydrophobicContact CG2-CG2 4.35Å; V694-T704 HydrophobicContact CG1-CG2 3.59Å; T704-V706 HydrophobicContact CG2-CG2 4.32Å; T704-I737 HydrophobicContact CG2-CG2 3.95Å; T704-G739 CarbonylContact O-C 3.59Å; T704-G739 WeakPolarHBondContact O-CA 3.43Å; T704-L740 PolarHBondContact O-N 3.37Å
705	L	93.7	Very high	88.5	Confident	6 Å²	6	40.2 Å²	40.2	3%	0.031	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127	173.7	-59.4	178.5	0	0	0	107.4	I673 L674 V675 L703 L740 A760	I673-L705 PolarHBondContact O-N 2.97Å; L674-L705 CarbonylContact C-O 3.52Å; L674-L705 WeakPolarHBondContact CA-O 3.11Å; L674-L705 HydrophobicContact CD1-CB 3.78Å; V675-L705 PolarHBondContact N-O 3.21Å; L703-L705 HydrophobicContact CD1-CD2 3.97Å; L703-L705 HydrophobicContact CD1-CG 4.4Å; L703-L705 HydrophobicContact CD2-CG 4.45Å; L703-L705 HydrophobicContact CG-CD2 4.38Å; L703-L705 HydrophobicContact CG-CG 4.27Å; L705-L740 HydrophobicContact CD2-CB 3.82Å; L705-L740 HydrophobicContact CD2-CD1 3.88Å; L705-L740 HydrophobicContact CD2-CG 4.26Å; L705-A760 HydrophobicContact CD1-CB 4.03Å
706	V	93.9	Very high	88.5	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	114.7	173.9	-175.5	0	0	0	0	107.1	V675 L677 L691 T704 L728 I732 L740 A741 E742	V675-V706 HydrophobicContact CB-CG2 4.37Å; L677-V706 HydrophobicContact CB-CG1 4.38Å; L691-V706 HydrophobicContact CD2-CG1 3.92Å; L691-V706 HydrophobicContact CD2-CG2 3.9Å; T704-V706 HydrophobicContact CG2-CG2 4.32Å; V706-L728 HydrophobicContact CG1-CD1 3.81Å; V706-L728 HydrophobicContact CG1-CD2 4.24Å; V706-L728 HydrophobicContact CG1-CG 4.23Å; V706-I732 HydrophobicContact CB-CD1 3.73Å; V706-I732 HydrophobicContact CB-CG1 4.14Å; V706-I732 HydrophobicContact CG1-CD1 4.44Å; V706-I732 HydrophobicContact CG1-CG1 4.5Å; V706-I732 HydrophobicContact CG2-CD1 3.85Å; V706-I732 HydrophobicContact CG2-CG1 3.92Å; V706-L740 PolarHBondContact N-O 2.94Å; V706-A741 WeakPolarHBondContact O-CA 3.16Å; V706-E742 PolarHBondContact O-N 2.93Å
707	A	93.5	Very high	88.5	Confident	2 Å²	2	46.6 Å²	46.6	2%	0.017	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	139.5	-172.7	0	0	0	0	0	111.5	L674 V675 Y676 L677 E742 M756	L674-A707 HydrophobicContact CD1-CB 3.63Å; V675-A707 PolarHBondContact O-N 3.2Å; Y676-A707 WeakPolarHBondContact CA-O 3.05Å; L677-A707 PolarHBondContact N-O 2.99Å; A707-E742 CarbonylContact C-O 3.53Å; A707-E742 WeakPolarHBondContact CA-O 3.38Å; A707-M756 HydrophobicContact CB-CE 3.83Å; A707-M756 HydrophobicContact CB-CG 3.92Å; A707-M756 HydrophobicContact CB-SD 3.73Å
708	S	93.2	Very high	88.5	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	151.2	166.5	-161.1	0	0	0	0	111.3	L677 L679 E742 V743 L744	L677-S708 WeakPolarHBondContact O-CB 3.3Å; L677-S708 PolarHBondContact O-OG 2.93Å; L679-S708 VanDerWaalsContact CD1-OG 3.3Å; L679-S708 WeakPolarHBondContact CD1-OG 3.33Å; L679-S708 VanDerWaalsContact CG-OG 3.22Å; L679-S708 WeakPolarHBondContact CG-OG 3.47Å; S708-E742 PolarHBondContact N-O 3.34Å; S708-V743 WeakPolarHBondContact O-CA 3.35Å; S708-L744 PolarHBondContact O-N 3.4Å
709	I	92.5	Very high	88.7	Confident	9 Å²	9	58.9 Å²	58.9	5%	0.046	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	122.8	-178.7	-57.9	164.1	0	0	0	108.1	Y676 L744 A746 I749 G752 M753	Y676-I709 HydrophobicContact CD2-CD1 4.12Å; Y676-I709 HydrophobicContact CD2-CG1 4.37Å; Y676-I709 HydrophobicContact CE2-CB 4.09Å; Y676-I709 HydrophobicContact CE2-CD1 3.69Å; Y676-I709 HydrophobicContact CE2-CG1 3.87Å; I709-L744 CarbonylContact C-O 3.55Å; I709-L744 VanDerWaalsContact CA-O 3.29Å; I709-L744 WeakPolarHBondContact CA-O 3.49Å; I709-A746 HydrophobicContact CG2-CB 4.2Å; I709-I749 HydrophobicContact CD1-CG2 4.41Å; I709-I749 HydrophobicContact CG2-CG1 4.27Å; I709-G752 VanDerWaalsContact CD1-C 3.48Å; I709-M753 HydrophobicContact CD1-CB 4.06Å; I709-M753 HydrophobicContact CD1-CE 4.22Å
710	L	92	Very high	89.3	Confident	11 Å²	11	59 Å²	59	6%	0.058	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	125.6	174.3	-59.1	178.4	0	0	0	109	F683 D720 M721 A724 V743 L744 V745 A746	F683-L710 HydrophobicContact CE1-CD2 4.46Å; L710-D720 HydrophobicContact CD1-CB 4.41Å; L710-M721 HydrophobicContact CD1-CB 4.44Å; L710-A724 HydrophobicContact CD1-CB 4.19Å; L710-V743 HydrophobicContact CD1-CG1 3.82Å; L710-V743 HydrophobicContact CG-CG1 3.94Å; L710-L744 PolarHBondContact N-O 2.91Å; L710-V745 HydrophobicContact CB-CG2 4.41Å; L710-V745 WeakPolarHBondContact O-CA 3.37Å; L710-A746 PolarHBondContact O-N 2.95Å
711	E	90.6	Very high	90.3	Very high	86 Å²	86	60.2 Å²	60.2	40%	0.402	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	127.8	173.7	-66.3	-177.6	166.9	0	0	109.8	R717 A746 I749 K791	E711-R717 PolarHBondContact O-NH1 3.26Å; E711-A746 WeakPolarHBondContact CA-O 3.36Å; E711-I749 HydrophobicContact CG-CD1 4.02Å; E711-I749 HydrophobicContact CG-CG1 3.61Å; E711-I749 WeakPolarHBondContact OE1-CD1 3.04Å; E711-I749 WeakPolarHBondContact OE1-CG1 3.48Å; E711-K791 IonicContact OE1-NZ 2.84Å; E711-K791 PolarHBondContact OE1-NZ 3.35Å
712	G	90.2	Very high	90.8	Very high	33 Å²	33	59.2 Å²	59.2	34%	0.34	31%	0.313	S	S	.	.	S	Bend	trans	146.6	-170.5	176.5	0	0	0	0	0	113.9	V745 A746	G712-V745 WeakPolarHBondContact O-CG1 3.5Å; G712-A746 PolarHBondContact N-O 2.95Å; G712-A746 CarbonylContact O-C 3.38Å
713	D	90	Very high	91.3	Very high	87 Å²	87	58.9 Å²	58.9	47%	0.465	31%	0.305	S	S	.	.			trans	-95	147.6	171.4	-167.4	12.8	0	0	0	111	I715 D716 R717	D713-I715 VanDerWaalsContact C-N 3.27Å; D713-I715 PolarHBondContact O-N 3.32Å; D713-D716 PolarHBondContact O-N 3.34Å; D713-R717 WeakPolarHBondContact O-CB 3.36Å; D713-R717 WeakPolarHBondContact O-CG 3.25Å; D713-R717 PolarHBondContact O-N 3.26Å; D713-R717 VanDerWaalsContact O-N 3.1Å
714	I	88.3	Confident	91.5	Very high	100 Å²	100	57.1 Å²	57.1	51%	0.513	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-30	-175.9	-165.3	166.6	0	0	0	112.4	R718	I714-R718 WeakPolarHBondContact O-CB 3.49Å; I714-R718 PolarHBondContact O-N 2.96Å
715	I	90.6	Very high	91.5	Very high	132 Å²	132	60.9 Å²	60.9	68%	0.677	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-46.2	-179.1	-60.3	175	0	0	0	109.8	D713	D713-I715 VanDerWaalsContact C-N 3.27Å; D713-I715 PolarHBondContact O-N 3.32Å
716	D	90.6	Very high	91.4	Very high	130 Å²	130	63.2 Å²	63.2	70%	0.695	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-39.5	-176.1	-62.3	-25.3	0	0	0	112	D713	D713-D716 PolarHBondContact O-N 3.34Å
717	R	89.1	Confident	91.2	Very high	66 Å²	66	66.9 Å²	66.9	25%	0.249	35%	0.348	C	S	.	.	S	Bend	trans	-94.3	13.2	-173.1	-56.7	-65.7	-59.1	-96.2	10.8	114.1	E711 D713 N719 D720 M721 V745	E711-R717 PolarHBondContact O-NH1 3.26Å; D713-R717 WeakPolarHBondContact O-CB 3.36Å; D713-R717 WeakPolarHBondContact O-CG 3.25Å; D713-R717 PolarHBondContact O-N 3.26Å; D713-R717 VanDerWaalsContact O-N 3.1Å; R717-N719 PolarHBondContact O-N 3.05Å; R717-D720 HydrophobicContact CB-CB 4.48Å; R717-D720 IonicContact CZ-OD2 2.72Å; R717-D720 VanDerWaalsContact CZ-OD2 3.32Å; R717-D720 IonicContact NE-OD2 3.9Å; R717-D720 PolarHBondContact NE-OD2 3.15Å; R717-D720 IonicContact NH2-OD2 3.55Å; R717-D720 PolarHBondContact NH2-OD2 3.33Å; R717-D720 VanDerWaalsContact NH2-OD2 3.09Å; R717-D720 WeakPolarHBondContact O-CB 3.45Å; R717-D720 PolarHBondContact O-N 3.18Å; R717-M721 WeakPolarHBondContact O-CB 3.47Å; R717-M721 PolarHBondContact O-N 3.42Å; R717-V745 HydrophobicContact CB-CG1 4.2Å; R717-V745 HydrophobicContact CB-CG2 4.39Å
718	R	90.5	Very high	91.1	Very high	165 Å²	165	66.8 Å²	66.8	62%	0.623	35%	0.347	S	S	*	.	H	α-helix	trans	-58.7	-44	-176.2	-175.7	175.4	179.7	152	0.8	113.4	I714 M721 I722	I714-R718 WeakPolarHBondContact O-CB 3.49Å; I714-R718 PolarHBondContact O-N 2.96Å; R718-M721 PolarHBondContact O-N 3.13Å; R718-I722 HydrophobicContact CG-CD1 4.44Å; R718-I722 WeakPolarHBondContact O-CG1 3.31Å; R718-I722 PolarHBondContact O-N 3.06Å
719	N	92	Very high	91.1	Very high	124 Å²	124	69.5 Å²	69.5	66%	0.663	37%	0.367	S	S	*	.	H	α-helix	trans	-68.1	-41.7	-179.7	-68.4	-26.9	0	0	0	111	R717 M721 I722 A723	R717-N719 PolarHBondContact O-N 3.05Å; N719-M721 VanDerWaalsContact C-N 3.33Å; N719-M721 PolarHBondContact O-N 2.94Å; N719-I722 PolarHBondContact O-N 3.4Å; N719-A723 WeakPolarHBondContact O-CB 3.37Å; N719-A723 PolarHBondContact O-N 3.29Å
720	D	90.9	Very high	91	Very high	55 Å²	55	73.5 Å²	73.5	29%	0.294	39%	0.388	S	S	.	.	H	α-helix	trans	-60.5	-41.8	174.9	-68	6.5	0	0	0	111.7	F683 L710 R717 I722 A723 A724	F683-D720 HydrophobicContact CE1-CB 3.99Å; F683-D720 HydrophobicContact CZ-CB 3.62Å; L710-D720 HydrophobicContact CD1-CB 4.41Å; R717-D720 HydrophobicContact CB-CB 4.48Å; R717-D720 IonicContact CZ-OD2 2.72Å; R717-D720 VanDerWaalsContact CZ-OD2 3.32Å; R717-D720 IonicContact NE-OD2 3.9Å; R717-D720 PolarHBondContact NE-OD2 3.15Å; R717-D720 IonicContact NH2-OD2 3.55Å; R717-D720 PolarHBondContact NH2-OD2 3.33Å; R717-D720 VanDerWaalsContact NH2-OD2 3.09Å; R717-D720 WeakPolarHBondContact O-CB 3.45Å; R717-D720 PolarHBondContact O-N 3.18Å; D720-I722 VanDerWaalsContact C-N 3.34Å; D720-I722 PolarHBondContact O-N 3.37Å; D720-A723 PolarHBondContact O-N 2.9Å; D720-A724 WeakPolarHBondContact O-CB 3.23Å; D720-A724 PolarHBondContact O-N 3.34Å
721	M	90.5	Very high	90.9	Very high	47 Å²	47	73.7 Å²	73.7	23%	0.232	39%	0.389	C	S	.	.	H	α-helix	trans	-59.7	-43.5	175.6	179.6	-162.8	67.5	0	0	111.6	L710 R717 R718 N719 K725 V743 V745	L710-M721 HydrophobicContact CD1-CB 4.44Å; R717-M721 WeakPolarHBondContact O-CB 3.47Å; R717-M721 PolarHBondContact O-N 3.42Å; R718-M721 PolarHBondContact O-N 3.13Å; N719-M721 VanDerWaalsContact C-N 3.33Å; N719-M721 PolarHBondContact O-N 2.94Å; M721-K725 VanDerWaalsContact O-CB 3.27Å; M721-K725 WeakPolarHBondContact O-CB 3.47Å; M721-K725 PolarHBondContact O-N 3.35Å; M721-V743 HydrophobicContact CG-CB 4.23Å; M721-V743 HydrophobicContact CG-CG1 4Å; M721-V745 HydrophobicContact CB-CG2 3.99Å; M721-V745 HydrophobicContact CG-CG2 4.16Å; M721-V745 HydrophobicContact SD-CG2 4.29Å
722	I	92	Very high	90.9	Very high	96 Å²	96	70 Å²	70	49%	0.492	37%	0.372	S	S	.	.	H	α-helix	trans	-67.2	-44.5	178.5	-64.8	167.5	0	0	0	110.4	R718 N719 D720 K725 A726	R718-I722 HydrophobicContact CG-CD1 4.44Å; R718-I722 WeakPolarHBondContact O-CG1 3.31Å; R718-I722 PolarHBondContact O-N 3.06Å; N719-I722 PolarHBondContact O-N 3.4Å; D720-I722 VanDerWaalsContact C-N 3.34Å; D720-I722 PolarHBondContact O-N 3.37Å; I722-K725 PolarHBondContact O-N 3.22Å; I722-A726 PolarHBondContact O-N 3.09Å
723	A	92.1	Very high	90.9	Very high	46 Å²	46	75.1 Å²	75.1	38%	0.38	39%	0.387	S	S	.	.	H	α-helix	trans	-63.6	-46.7	178	0	0	0	0	0	111.9	F683 N719 D720 K725 A726 H727	F683-A723 HydrophobicContact CE2-CB 4.48Å; N719-A723 WeakPolarHBondContact O-CB 3.37Å; N719-A723 PolarHBondContact O-N 3.29Å; D720-A723 PolarHBondContact O-N 2.9Å; A723-K725 VanDerWaalsContact C-N 3.33Å; A723-K725 PolarHBondContact O-N 3.43Å; A723-A726 PolarHBondContact O-N 3.42Å; A723-H727 WeakPolarHBondContact O-CB 3.38Å; A723-H727 PolarHBondContact O-N 2.98Å
724	A	91.7	Very high	90.8	Very high	0 Å²	0	76.6 Å²	76.6	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-60.8	-40.9	175.9	0	0	0	0	0	111.6	L679 F683 L710 D720 H727 L728 V743	L679-A724 HydrophobicContact CD1-CB 4.06Å; F683-A724 HydrophobicContact CD1-CB 3.78Å; F683-A724 HydrophobicContact CE1-CB 4.12Å; F683-A724 HydrophobicContact CG-CB 4.41Å; L710-A724 HydrophobicContact CD1-CB 4.19Å; D720-A724 WeakPolarHBondContact O-CB 3.23Å; D720-A724 PolarHBondContact O-N 3.34Å; A724-H727 PolarHBondContact O-N 3.44Å; A724-L728 WeakPolarHBondContact O-CB 3.47Å; A724-L728 PolarHBondContact O-N 2.9Å; A724-V743 HydrophobicContact CB-CG1 4.29Å; A724-V743 HydrophobicContact CB-CG2 4.33Å
725	K	92.7	Very high	90.7	Very high	84 Å²	84	73.6 Å²	73.6	37%	0.365	38%	0.379	S	S	.	.	H	α-helix	trans	-66.1	-40.1	177.5	-174.9	163.2	-178.7	151.5	0	112.1	M721 I722 A723 S729 A741 E742 V743	M721-K725 VanDerWaalsContact O-CB 3.27Å; M721-K725 WeakPolarHBondContact O-CB 3.47Å; M721-K725 PolarHBondContact O-N 3.35Å; I722-K725 PolarHBondContact O-N 3.22Å; A723-K725 VanDerWaalsContact C-N 3.33Å; A723-K725 PolarHBondContact O-N 3.43Å; K725-S729 WeakPolarHBondContact O-CB 3.33Å; K725-S729 PolarHBondContact O-N 3.34Å; K725-A741 WeakPolarHBondContact CE-O 3.12Å; K725-A741 HydrophobicContact CG-CB 4.48Å; K725-A741 PolarHBondContact NZ-O 3.03Å; K725-E742 IonicContact NZ-OE1 2.71Å; K725-E742 IonicContact NZ-OE2 3.09Å; K725-E742 PolarHBondContact NZ-OE2 3.49Å; K725-V743 HydrophobicContact CB-CB 4.42Å; K725-V743 HydrophobicContact CB-CG2 3.83Å; K725-V743 HydrophobicContact CG-CG2 4.46Å
726	A	91.9	Very high	90.5	Very high	54 Å²	54	75.7 Å²	75.7	45%	0.446	38%	0.378	S	S	.	.	H	α-helix	trans	-64.1	-49.9	175.3	0	0	0	0	0	111.3	I722 A723 L728 S729 D730	I722-A726 PolarHBondContact O-N 3.09Å; A723-A726 PolarHBondContact O-N 3.42Å; A726-L728 VanDerWaalsContact C-N 3.34Å; A726-L728 PolarHBondContact O-N 3.07Å; A726-S729 WeakPolarHBondContact O-CB 3.48Å; A726-S729 PolarHBondContact O-N 2.95Å; A726-S729 VanDerWaalsContact O-N 3.13Å; A726-D730 PolarHBondContact O-N 2.81Å
727	H	91.2	Very high	90.3	Very high	77 Å²	77	70.2 Å²	70.2	36%	0.356	35%	0.349	S	S	.	.	H	α-helix	trans	-60.2	-43.2	177.7	-174	-95	0	0	0	112.2	F683 A723 A724 S729 D730 L731	F683-H727 PolarHBondContact O-CE1 3.38Å; F683-H727 VanDerWaalsContact O-CE1 3.23Å; F683-H727 PolarHBondContact O-ND1 2.65Å; A723-H727 WeakPolarHBondContact O-CB 3.38Å; A723-H727 PolarHBondContact O-N 2.98Å; A724-H727 PolarHBondContact O-N 3.44Å; H727-S729 VanDerWaalsContact C-N 3.3Å; H727-S729 PolarHBondContact O-N 3.11Å; H727-D730 PolarHBondContact O-N 3.4Å; H727-L731 WeakPolarHBondContact O-CB 3.04Å; H727-L731 PolarHBondContact O-N 3.08Å
728	L	91.4	Very high	90.2	Very high	0 Å²	0	74.6 Å²	74.6	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-62.6	-38	176.5	-170.5	61.9	0	0	0	111.7	L677 V706 A724 A726 L731 I732 A741 V743	L677-L728 HydrophobicContact CD2-CD1 3.71Å; V706-L728 HydrophobicContact CG1-CD1 3.81Å; V706-L728 HydrophobicContact CG1-CD2 4.24Å; V706-L728 HydrophobicContact CG1-CG 4.23Å; A724-L728 WeakPolarHBondContact O-CB 3.47Å; A724-L728 PolarHBondContact O-N 2.9Å; A726-L728 VanDerWaalsContact C-N 3.34Å; A726-L728 PolarHBondContact O-N 3.07Å; L728-L731 PolarHBondContact O-N 3.01Å; L728-I732 HydrophobicContact CG-CD1 4.42Å; L728-I732 WeakPolarHBondContact O-CG1 3.4Å; L728-I732 PolarHBondContact O-N 3.25Å; L728-A741 HydrophobicContact CB-CB 4.23Å; L728-A741 HydrophobicContact CD2-CB 4.09Å; L728-A741 HydrophobicContact CG-CB 4.06Å; L728-V743 HydrophobicContact CD2-CG2 4.21Å
729	S	91.8	Very high	90.1	Very high	58 Å²	58	68 Å²	68	41%	0.406	35%	0.353	S	S	.	.	H	α-helix	trans	-64.8	-41.7	175.3	-172.8	0	0	0	0	112.4	K725 A726 H727 L731 I732 Q733	K725-S729 WeakPolarHBondContact O-CB 3.33Å; K725-S729 PolarHBondContact O-N 3.34Å; A726-S729 WeakPolarHBondContact O-CB 3.48Å; A726-S729 PolarHBondContact O-N 2.95Å; A726-S729 VanDerWaalsContact O-N 3.13Å; H727-S729 VanDerWaalsContact C-N 3.3Å; H727-S729 PolarHBondContact O-N 3.11Å; S729-L731 VanDerWaalsContact C-N 3.33Å; S729-I732 PolarHBondContact O-N 2.83Å; S729-Q733 PolarHBondContact O-N 3.33Å; S729-Q733 VanDerWaalsContact O-N 3.09Å
730	D	91.5	Very high	90.1	Very high	93 Å²	93	66.8 Å²	66.8	50%	0.497	35%	0.346	S	S	.	.	H	α-helix	trans	-63	-42.9	175.8	-70	-19.8	0	0	0	110.6	A726 H727 I732 Q733 D734	A726-D730 PolarHBondContact O-N 2.81Å; H727-D730 PolarHBondContact O-N 3.4Å; D730-I732 PolarHBondContact O-N 3.43Å; D730-Q733 WeakPolarHBondContact O-CB 3.32Å; D730-Q733 PolarHBondContact O-N 3.4Å; D730-Q733 VanDerWaalsContact O-N 3.12Å; D730-D734 PolarHBondContact O-N 2.75Å
731	L	89.5	Confident	90.2	Very high	15 Å²	15	64.7 Å²	64.7	8%	0.079	34%	0.336	C	S	.	.	H	α-helix	trans	-65.5	-38.6	179.8	-154	155.6	0	0	0	112.2	A685 L691 H727 L728 S729 Q733 D734 H735	A685-L731 HydrophobicContact CB-CD1 4.08Å; L691-L731 HydrophobicContact CD1-CD2 2.96Å; L691-L731 HydrophobicContact CD1-CG 4.43Å; L691-L731 HydrophobicContact CG-CD2 4.41Å; H727-L731 WeakPolarHBondContact O-CB 3.04Å; H727-L731 PolarHBondContact O-N 3.08Å; L728-L731 PolarHBondContact O-N 3.01Å; S729-L731 VanDerWaalsContact C-N 3.33Å; L731-Q733 VanDerWaalsContact C-N 3.35Å; L731-D734 PolarHBondContact O-N 3.44Å; L731-H735 PolarHBondContact O-N 3.11Å; L731-H735 PolarHBondContact O-ND1 3.34Å
732	I	90	Very high	90.3	Very high	8 Å²	8	66 Å²	66	4%	0.041	34%	0.342	C	S	.	.	H	α-helix	trans	-60.8	-43.5	171.4	-71.3	168.6	0	0	0	111	V706 L728 S729 D730 R736 I737 A741	V706-I732 HydrophobicContact CB-CD1 3.73Å; V706-I732 HydrophobicContact CB-CG1 4.14Å; V706-I732 HydrophobicContact CG1-CD1 4.44Å; V706-I732 HydrophobicContact CG1-CG1 4.5Å; V706-I732 HydrophobicContact CG2-CD1 3.85Å; V706-I732 HydrophobicContact CG2-CG1 3.92Å; L728-I732 HydrophobicContact CG-CD1 4.42Å; L728-I732 WeakPolarHBondContact O-CG1 3.4Å; L728-I732 PolarHBondContact O-N 3.25Å; S729-I732 PolarHBondContact O-N 2.83Å; D730-I732 PolarHBondContact O-N 3.43Å; I732-R736 PolarHBondContact O-N 3.33Å; I732-I737 HydrophobicContact CG2-CB 3.97Å; I732-I737 HydrophobicContact CG2-CG2 4.28Å; I732-I737 VanDerWaalsContact CG2-O 3.28Å; I732-I737 WeakPolarHBondContact CG2-O 3.43Å; I732-I737 PolarHBondContact O-N 3.12Å; I732-A741 HydrophobicContact CD1-CB 3.7Å
733	Q	89.7	Confident	90.3	Very high	141 Å²	141	62.1 Å²	62.1	66%	0.659	32%	0.323	S	S	*	.	H	α-helix	trans	-67.5	-40.5	179.9	-177.5	172.7	-13.3	0	0	111.8	S729 D730 L731 H735 R736	S729-Q733 PolarHBondContact O-N 3.33Å; S729-Q733 VanDerWaalsContact O-N 3.09Å; D730-Q733 WeakPolarHBondContact O-CB 3.32Å; D730-Q733 PolarHBondContact O-N 3.4Å; D730-Q733 VanDerWaalsContact O-N 3.12Å; L731-Q733 VanDerWaalsContact C-N 3.35Å; Q733-H735 VanDerWaalsContact C-N 3.32Å; Q733-H735 PolarHBondContact O-N 3.4Å; Q733-R736 WeakPolarHBondContact O-CA 3.31Å; Q733-R736 PolarHBondContact O-N 3.14Å
734	D	88.6	Confident	90.4	Very high	117 Å²	117	62.3 Å²	62.3	63%	0.626	32%	0.317	S	S	*	.	H	α-helix	trans	-62.9	-37.9	178.4	-78.1	-15.6	0	0	0	112.6	D730 L731 R736	D730-D734 PolarHBondContact O-N 2.75Å; L731-D734 PolarHBondContact O-N 3.44Å; D734-R736 PolarHBondContact O-N 3.44Å
735	H	86.7	Confident	90.4	Very high	37 Å²	37	63.3 Å²	63.3	17%	0.171	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	2.6	174	-67.1	83.4	0	0	0	113.5	L691 D692 Y695 L731 Q733 I737	L691-H735 HydrophobicContact CB-CB 4.33Å; D692-H735 IonicContact OD1-CD2 2.82Å; Y695-H735 WeakPolarHBondContact CD2-O 3.41Å; L731-H735 PolarHBondContact O-N 3.11Å; L731-H735 PolarHBondContact O-ND1 3.34Å; Q733-H735 VanDerWaalsContact C-N 3.32Å; Q733-H735 PolarHBondContact O-N 3.4Å; H735-I737 HydrophobicContact CB-CD1 3.98Å; H735-I737 HydrophobicContact CB-CG1 4.13Å; H735-I737 PolarHBondContact O-N 3Å
736	R	85.2	Confident	90.4	Very high	176 Å²	176	59.7 Å²	59.7	66%	0.664	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	30.4	-179.9	-57.2	-177.3	175	-173.2	-1	114.2	Y695 I732 Q733 D734	Y695-R736 HydrophobicContact CD2-CB 4.28Å; Y695-R736 WeakPolarHBondContact CD2-O 3.32Å; Y695-R736 HydrophobicContact CE2-CB 3.85Å; Y695-R736 WeakPolarHBondContact CE2-O 3.39Å; I732-R736 PolarHBondContact O-N 3.33Å; Q733-R736 WeakPolarHBondContact O-CA 3.31Å; Q733-R736 PolarHBondContact O-N 3.14Å; D734-R736 PolarHBondContact O-N 3.44Å
737	I	87	Confident	90.3	Very high	15 Å²	15	60.8 Å²	60.8	8%	0.077	31%	0.313	C	S	.	.			trans	-83.5	129.8	177.3	-62.3	168.7	0	0	0	108.4	L691 V694 T704 I732 H735 G739	L691-I737 HydrophobicContact CB-CD1 3.64Å; L691-I737 HydrophobicContact CD2-CD1 3.85Å; L691-I737 HydrophobicContact CG-CD1 4.28Å; L691-I737 WeakPolarHBondContact O-CD1 3.16Å; V694-I737 HydrophobicContact CB-CD1 4.45Å; V694-I737 HydrophobicContact CG1-CD1 4.41Å; T704-I737 HydrophobicContact CG2-CG2 3.95Å; I732-I737 HydrophobicContact CG2-CB 3.97Å; I732-I737 HydrophobicContact CG2-CG2 4.28Å; I732-I737 VanDerWaalsContact CG2-O 3.28Å; I732-I737 WeakPolarHBondContact CG2-O 3.43Å; I732-I737 PolarHBondContact O-N 3.12Å; H735-I737 HydrophobicContact CB-CD1 3.98Å; H735-I737 HydrophobicContact CB-CG1 4.13Å; H735-I737 PolarHBondContact O-N 3Å; I737-G739 PolarHBondContact O-N 3.03Å
738	K	87.3	Confident	90.2	Very high	159 Å²	159	60 Å²	60	69%	0.691	31%	0.314	S	S	*	.			trans	-86.6	85.2	168.6	-65.9	-175.9	-173.6	170.1	0	108.4
739	G	88.3	Confident	90	Very high	26 Å²	26	61.2 Å²	61.2	27%	0.268	32%	0.32	S	S	.	.			trans	-145.7	174.6	-177.3	0	0	0	0	0	113	T704 I737	T704-G739 CarbonylContact O-C 3.59Å; T704-G739 WeakPolarHBondContact O-CA 3.43Å; I737-G739 PolarHBondContact O-N 3.03Å
740	L	91.8	Very high	89.9	Confident	99 Å²	99	60.1 Å²	60.1	52%	0.518	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	136.5	177.6	-58	170.9	0	0	0	109.7	T704 L705 V706	T704-L740 PolarHBondContact O-N 3.37Å; L705-L740 HydrophobicContact CD2-CB 3.82Å; L705-L740 HydrophobicContact CD2-CD1 3.88Å; L705-L740 HydrophobicContact CD2-CG 4.26Å; V706-L740 PolarHBondContact N-O 2.94Å
741	A	92.8	Very high	89.8	Confident	11 Å²	11	59.7 Å²	59.7	9%	0.091	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	125.4	173.2	0	0	0	0	0	110.3	V706 K725 L728 I732	V706-A741 WeakPolarHBondContact O-CA 3.16Å; K725-A741 WeakPolarHBondContact CE-O 3.12Å; K725-A741 HydrophobicContact CG-CB 4.48Å; K725-A741 PolarHBondContact NZ-O 3.03Å; L728-A741 HydrophobicContact CB-CB 4.23Å; L728-A741 HydrophobicContact CD2-CB 4.09Å; L728-A741 HydrophobicContact CG-CB 4.06Å; I732-A741 HydrophobicContact CD1-CB 3.7Å
742	E	92.5	Very high	89.9	Confident	74 Å²	74	59 Å²	59	35%	0.346	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	138.7	172	-67.2	-57.3	163.4	0	0	111.5	V706 A707 S708 K725	V706-E742 PolarHBondContact O-N 2.93Å; A707-E742 CarbonylContact C-O 3.53Å; A707-E742 WeakPolarHBondContact CA-O 3.38Å; S708-E742 PolarHBondContact N-O 3.34Å; K725-E742 IonicContact NZ-OE1 2.71Å; K725-E742 IonicContact NZ-OE2 3.09Å; K725-E742 PolarHBondContact NZ-OE2 3.49Å
743	V	93.2	Very high	89.9	Confident	15 Å²	15	58.8 Å²	58.8	9%	0.091	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	124.6	178	-178.8	0	0	0	0	107.8	S708 L710 M721 A724 K725 L728	S708-V743 WeakPolarHBondContact O-CA 3.35Å; L710-V743 HydrophobicContact CD1-CG1 3.82Å; L710-V743 HydrophobicContact CG-CG1 3.94Å; M721-V743 HydrophobicContact CG-CB 4.23Å; M721-V743 HydrophobicContact CG-CG1 4Å; A724-V743 HydrophobicContact CB-CG1 4.29Å; A724-V743 HydrophobicContact CB-CG2 4.33Å; K725-V743 HydrophobicContact CB-CB 4.42Å; K725-V743 HydrophobicContact CB-CG2 3.83Å; K725-V743 HydrophobicContact CG-CG2 4.46Å; L728-V743 HydrophobicContact CD2-CG2 4.21Å
744	L	93.3	Very high	90	Very high	49 Å²	49	56.7 Å²	56.7	26%	0.257	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	132.9	178.9	-179.6	69.4	0	0	0	109.6	S708 I709 L710 G752 N755 M756	S708-L744 PolarHBondContact O-N 3.4Å; I709-L744 CarbonylContact C-O 3.55Å; I709-L744 VanDerWaalsContact CA-O 3.29Å; I709-L744 WeakPolarHBondContact CA-O 3.49Å; L710-L744 PolarHBondContact N-O 2.91Å; L744-G752 VanDerWaalsContact CD2-O 3.3Å; L744-G752 WeakPolarHBondContact CD2-O 3.37Å; L744-N755 HydrophobicContact CD2-CB 4Å; L744-M756 HydrophobicContact CB-CE 3.51Å; L744-M756 HydrophobicContact CD2-CE 4.12Å; L744-M756 HydrophobicContact CG-CE 4.42Å
745	V	93.1	Very high	90.2	Very high	21 Å²	21	54.2 Å²	54.2	13%	0.127	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	126.1	169.1	-175.4	0	0	0	0	107.8	L710 G712 R717 M721	L710-V745 HydrophobicContact CB-CG2 4.41Å; L710-V745 WeakPolarHBondContact O-CA 3.37Å; G712-V745 WeakPolarHBondContact O-CG1 3.5Å; R717-V745 HydrophobicContact CB-CG1 4.2Å; R717-V745 HydrophobicContact CB-CG2 4.39Å; M721-V745 HydrophobicContact CB-CG2 3.99Å; M721-V745 HydrophobicContact CG-CG2 4.16Å; M721-V745 HydrophobicContact SD-CG2 4.29Å
746	A	92.3	Very high	90.4	Very high	9 Å²	9	53.2 Å²	53.2	7%	0.074	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	156.1	-179	0	0	0	0	0	111.3	I709 L710 E711 G712 T748	I709-A746 HydrophobicContact CG2-CB 4.2Å; L710-A746 PolarHBondContact O-N 2.95Å; E711-A746 WeakPolarHBondContact CA-O 3.36Å; G712-A746 PolarHBondContact N-O 2.95Å; G712-A746 CarbonylContact O-C 3.38Å; A746-T748 PolarHBondContact O-N 3.42Å
747	S	90	Very high	90.7	Very high	77 Å²	77	45 Å²	45	54%	0.538	24%	0.241	S	C	.	.	S	Bend	trans	-58.8	-37	178.8	77.8	0	0	0	0	112.1	E751	S747-E751 PolarHBondContact OG-OE2 3.41Å
748	T	89.2	Confident	90.8	Very high	60 Å²	60	50.6 Å²	50.6	37%	0.368	27%	0.266	S	S	.	.	S	Bend	trans	-142.5	149.9	179.3	57.4	0	0	0	0	109.3	A746 D750 E751 G752	A746-T748 PolarHBondContact O-N 3.42Å; T748-D750 PolarHBondContact O-N 3.28Å; T748-E751 PolarHBondContact O-N 3.01Å; T748-E751 WeakPolarHBondContact OG1-CB 3.44Å; T748-E751 PolarHBondContact OG1-N 3.37Å; T748-G752 PolarHBondContact O-N 2.89Å
749	I	87.5	Confident	90.9	Very high	26 Å²	26	47.6 Å²	47.6	13%	0.133	27%	0.265	C	S	.	.	H	α-helix	trans	-58.1	-33.1	174.5	-71.8	168.2	0	0	0	111.6	Y676 I709 E711 G752 M753 K791	Y676-I749 WeakPolarHBondContact OH-CG2 3.26Å; I709-I749 HydrophobicContact CD1-CG2 4.41Å; I709-I749 HydrophobicContact CG2-CG1 4.27Å; E711-I749 HydrophobicContact CG-CD1 4.02Å; E711-I749 HydrophobicContact CG-CG1 3.61Å; E711-I749 WeakPolarHBondContact OE1-CD1 3.04Å; E711-I749 WeakPolarHBondContact OE1-CG1 3.48Å; I749-G752 PolarHBondContact O-N 2.89Å; I749-M753 VanDerWaalsContact O-CB 3.32Å; I749-M753 WeakPolarHBondContact O-CB 3.36Å; I749-M753 PolarHBondContact O-N 3.31Å; I749-K791 HydrophobicContact CB-CD 4.41Å; I749-K791 HydrophobicContact CD1-CD 4.47Å
750	D	87.9	Confident	91	Very high	34 Å²	34	47.1 Å²	47.1	18%	0.182	26%	0.258	C	S	.	.	H	α-helix	trans	-62.8	-46.3	178.7	-67.3	-35.9	0	0	0	112.7	T748 K754 K791 S794	T748-D750 PolarHBondContact O-N 3.28Å; D750-K754 VanDerWaalsContact O-CG 3.29Å; D750-K754 WeakPolarHBondContact O-CG 3.41Å; D750-K754 PolarHBondContact O-N 3.48Å; D750-K754 VanDerWaalsContact O-N 3.14Å; D750-K791 VanDerWaalsContact OD1-CA 3.24Å; D750-K791 WeakPolarHBondContact OD1-CA 3.3Å; D750-S794 WeakPolarHBondContact OD1-CB 3.43Å; D750-S794 PolarHBondContact OD1-OG 3.47Å
751	E	90.5	Very high	90.8	Very high	85 Å²	85	44.4 Å²	44.4	40%	0.397	25%	0.254	S	S	.	.	H	α-helix	trans	-66.9	-44.5	175.7	-173.3	177.8	-164.1	0	0	110.7	S747 T748 M753 K754 N755	S747-E751 PolarHBondContact OG-OE2 3.41Å; T748-E751 PolarHBondContact O-N 3.01Å; T748-E751 WeakPolarHBondContact OG1-CB 3.44Å; T748-E751 PolarHBondContact OG1-N 3.37Å; E751-M753 VanDerWaalsContact C-N 3.27Å; E751-M753 PolarHBondContact O-N 3.08Å; E751-K754 PolarHBondContact O-N 3.05Å; E751-N755 PolarHBondContact O-N 2.87Å
752	G	91.3	Very high	90.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-57.9	-40.2	176.1	0	0	0	0	0	112.6	I709 L744 T748 I749 N755 M756	I709-G752 VanDerWaalsContact CD1-C 3.48Å; L744-G752 VanDerWaalsContact CD2-O 3.3Å; L744-G752 WeakPolarHBondContact CD2-O 3.37Å; T748-G752 PolarHBondContact O-N 2.89Å; I749-G752 PolarHBondContact O-N 2.89Å; G752-N755 PolarHBondContact O-N 2.98Å; G752-M756 VanDerWaalsContact O-CB 3.31Å; G752-M756 WeakPolarHBondContact O-CB 3.35Å; G752-M756 PolarHBondContact O-N 3.06Å
753	M	90.5	Very high	90	Very high	3 Å²	3	48 Å²	48	2%	0.015	29%	0.285	C	S	.	.	H	α-helix	trans	-70.2	-39.6	179.2	-175.2	65.2	71.1	0	0	112.1	Y676 I709 I749 E751 N755 M756 A757 L770 T795	Y676-M753 HydrophobicContact CD1-CE 3.62Å; Y676-M753 HydrophobicContact CD2-CE 3.64Å; Y676-M753 HydrophobicContact CE1-CE 4.05Å; Y676-M753 HydrophobicContact CE2-CE 4.09Å; Y676-M753 HydrophobicContact CG-CE 3.38Å; I709-M753 HydrophobicContact CD1-CB 4.06Å; I709-M753 HydrophobicContact CD1-CE 4.22Å; I749-M753 VanDerWaalsContact O-CB 3.32Å; I749-M753 WeakPolarHBondContact O-CB 3.36Å; I749-M753 PolarHBondContact O-N 3.31Å; E751-M753 VanDerWaalsContact C-N 3.27Å; E751-M753 PolarHBondContact O-N 3.08Å; M753-N755 VanDerWaalsContact C-N 3.33Å; M753-N755 PolarHBondContact O-N 3.39Å; M753-M756 PolarHBondContact O-N 2.91Å; M753-A757 VanDerWaalsContact O-CB 3.24Å; M753-A757 WeakPolarHBondContact O-CB 3.31Å; M753-A757 PolarHBondContact O-N 3.35Å; M753-L770 HydrophobicContact SD-CD1 4.3Å; M753-L770 HydrophobicContact SD-CD2 4.26Å; M753-T795 HydrophobicContact CE-CG2 3.9Å; M753-T795 HydrophobicContact CG-CG2 3.57Å; M753-T795 WeakPolarHBondContact CG-OG1 3.42Å; M753-T795 HydrophobicContact SD-CG2 3.78Å
754	K	91.5	Very high	89.4	Confident	97 Å²	97	48.9 Å²	48.9	42%	0.422	29%	0.289	S	S	.	.	H	α-helix	trans	-59.6	-45.8	173.4	-70.2	165.6	-169.1	169.7	0	110.9	D750 E751 A757 Q758 A798	D750-K754 VanDerWaalsContact O-CG 3.29Å; D750-K754 WeakPolarHBondContact O-CG 3.41Å; D750-K754 PolarHBondContact O-N 3.48Å; D750-K754 VanDerWaalsContact O-N 3.14Å; E751-K754 PolarHBondContact O-N 3.05Å; K754-A757 PolarHBondContact O-N 3.07Å; K754-Q758 WeakPolarHBondContact O-CG 3.38Å; K754-Q758 PolarHBondContact O-N 3.38Å; K754-Q758 VanDerWaalsContact O-N 3.15Å; K754-A798 HydrophobicContact CG-CB 4.01Å
755	N	92.7	Very high	89	Confident	65 Å²	65	50.3 Å²	50.3	35%	0.348	30%	0.297	S	S	.	.	H	α-helix	trans	-65.5	-43.6	178.7	-67.4	-13.2	0	0	0	111.6	L744 E751 G752 M753 Q758 C759	L744-N755 HydrophobicContact CD2-CB 4Å; E751-N755 PolarHBondContact O-N 2.87Å; G752-N755 PolarHBondContact O-N 2.98Å; M753-N755 VanDerWaalsContact C-N 3.33Å; M753-N755 PolarHBondContact O-N 3.39Å; N755-Q758 PolarHBondContact O-N 3.22Å; N755-C759 VanDerWaalsContact O-CB 3.3Å; N755-C759 WeakPolarHBondContact O-CB 3.1Å; N755-C759 PolarHBondContact O-N 3.03Å
756	M	91.5	Very high	88.7	Confident	17 Å²	17	56.1 Å²	56.1	8%	0.084	32%	0.316	C	S	.	.	H	α-helix	trans	-65	-41.9	178.2	-166.8	67.4	64.2	0	0	111.9	L674 A707 L744 G752 M753 Q758 A760	L674-M756 HydrophobicContact CD1-CG 4.07Å; L674-M756 HydrophobicContact CD1-SD 4.38Å; L674-M756 HydrophobicContact CD2-CG 3.75Å; L674-M756 HydrophobicContact CG-CG 4.44Å; A707-M756 HydrophobicContact CB-CE 3.83Å; A707-M756 HydrophobicContact CB-CG 3.92Å; A707-M756 HydrophobicContact CB-SD 3.73Å; L744-M756 HydrophobicContact CB-CE 3.51Å; L744-M756 HydrophobicContact CD2-CE 4.12Å; L744-M756 HydrophobicContact CG-CE 4.42Å; G752-M756 VanDerWaalsContact O-CB 3.31Å; G752-M756 WeakPolarHBondContact O-CB 3.35Å; G752-M756 PolarHBondContact O-N 3.06Å; M753-M756 PolarHBondContact O-N 2.91Å; M756-Q758 VanDerWaalsContact C-N 3.29Å; M756-Q758 PolarHBondContact O-N 3.34Å; M756-A760 HydrophobicContact CG-CB 4.32Å; M756-A760 VanDerWaalsContact O-CB 3.23Å; M756-A760 WeakPolarHBondContact O-CB 3.47Å; M756-A760 PolarHBondContact O-N 3.37Å; M756-A760 HydrophobicContact SD-CB 3.79Å
757	A	90.1	Very high	88.6	Confident	4 Å²	4	56.2 Å²	56.2	3%	0.033	32%	0.315	C	S	.	.	H	α-helix	trans	-62.1	-36.4	177.5	0	0	0	0	0	112.1	M753 K754 H767 I804	M753-A757 VanDerWaalsContact O-CB 3.24Å; M753-A757 WeakPolarHBondContact O-CB 3.31Å; M753-A757 PolarHBondContact O-N 3.35Å; K754-A757 PolarHBondContact O-N 3.07Å; A757-H767 PolarHBondContact O-CE1 2.81Å; A757-H767 PolarHBondContact O-NE2 2.89Å; A757-I804 HydrophobicContact CB-CD1 4.3Å; A757-I804 WeakPolarHBondContact O-CD1 3.21Å
758	Q	89.4	Confident	88.6	Confident	131 Å²	131	54 Å²	54	61%	0.612	30%	0.298	S	S	*	.	H	α-helix	trans	-83.9	-40.4	-178.6	-69.9	177.1	5.9	0	0	113.7	K754 N755 M756 C802	K754-Q758 WeakPolarHBondContact O-CG 3.38Å; K754-Q758 PolarHBondContact O-N 3.38Å; K754-Q758 VanDerWaalsContact O-N 3.15Å; N755-Q758 PolarHBondContact O-N 3.22Å; M756-Q758 VanDerWaalsContact C-N 3.29Å; M756-Q758 PolarHBondContact O-N 3.34Å; Q758-C802 WeakPolarHBondContact CG-SG 3.31Å
759	C	90.1	Very high	88.8	Confident	97 Å²	97	51.2 Å²	51.2	66%	0.655	28%	0.28	S	S	*	.	H	α-helix	trans	-110.3	-9.4	-162.5	-59.8	0	0	0	0	115.2	N755 G761	N755-C759 VanDerWaalsContact O-CB 3.3Å; N755-C759 WeakPolarHBondContact O-CB 3.1Å; N755-C759 PolarHBondContact O-N 3.03Å; C759-G761 PolarHBondContact O-N 2.83Å
760	A	91	Very high	89.1	Confident	15 Å²	15	50 Å²	50	12%	0.124	27%	0.274	C	S	.	.			trans	-69.4	134.9	-177.2	0	0	0	0	0	112.6	L674 L705 M756 H767	L674-A760 HydrophobicContact CD1-CB 4.37Å; L674-A760 HydrophobicContact CD2-CB 4.4Å; L705-A760 HydrophobicContact CD1-CB 4.03Å; M756-A760 HydrophobicContact CG-CB 4.32Å; M756-A760 VanDerWaalsContact O-CB 3.23Å; M756-A760 WeakPolarHBondContact O-CB 3.47Å; M756-A760 PolarHBondContact O-N 3.37Å; M756-A760 HydrophobicContact SD-CB 3.79Å; A760-H767 PolarHBondContact O-CE1 3.41Å; A760-H767 VanDerWaalsContact O-CE1 3.25Å; A760-H767 PolarHBondContact O-ND1 3.45Å
761	G	86.9	Confident	89.5	Confident	43 Å²	43	48.5 Å²	48.5	44%	0.443	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	101.5	-174.1	-177.1	0	0	0	0	0	114.6	C759 L765	C759-G761 PolarHBondContact O-N 2.83Å; G761-L765 WeakPolarHBondContact CA-O 3.36Å
762	L	85.9	Confident	89.5	Confident	111 Å²	111	44.8 Å²	44.8	58%	0.581	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-140	116.6	-178.5	-175.7	62.1	0	0	0	111.9	I656 N764 L765	I656-L762 HydrophobicContact CD1-CD2 3.8Å; L762-N764 PolarHBondContact O-N 3.09Å; L762-L765 PolarHBondContact N-O 3.06Å; L762-L765 WeakPolarHBondContact O-CB 3.29Å; L762-L765 PolarHBondContact O-N 3.13Å
763	G	82	Confident	89.5	Confident	48 Å²	48	45.4 Å²	45.4	50%	0.495	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	-127.8	-177	0	0	0	0	0	111.9	L765	G763-L765 VanDerWaalsContact C-N 3.29Å; G763-L765 PolarHBondContact O-N 3.21Å
764	N	80.5	Confident	89.5	Confident	35 Å²	35	45.6 Å²	45.6	19%	0.187	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-8.9	175.1	-86.3	-9.2	0	0	0	114.1	L659 G660 K662 I664 L762 R766	L659-N764 HydrophobicContact CB-CB 4.34Å; L659-N764 PolarHBondContact O-ND2 2.98Å; G660-N764 VanDerWaalsContact O-CG 3.3Å; G660-N764 PolarHBondContact O-ND2 3.39Å; K662-N764 PolarHBondContact O-ND2 2.85Å; I664-N764 HydrophobicContact CG1-CB 4.45Å; L762-N764 PolarHBondContact O-N 3.09Å; N764-R766 VanDerWaalsContact C-N 3.27Å; N764-R766 PolarHBondContact O-N 3.3Å; N764-R766 VanDerWaalsContact O-N 3.15Å
765	L	84.2	Confident	89.4	Confident	79 Å²	79	42 Å²	42	41%	0.414	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	67.8	170.8	-67.1	175.5	0	0	0	110.1	I656 L659 G761 L762 G763	I656-L765 HydrophobicContact CD1-CD1 4.29Å; I656-L765 HydrophobicContact CG1-CD1 3.7Å; L659-L765 HydrophobicContact CD1-CD1 4.41Å; L659-L765 HydrophobicContact CD1-CD2 4.08Å; L659-L765 HydrophobicContact CD1-CG 4.04Å; G761-L765 WeakPolarHBondContact CA-O 3.36Å; L762-L765 PolarHBondContact N-O 3.06Å; L762-L765 WeakPolarHBondContact O-CB 3.29Å; L762-L765 PolarHBondContact O-N 3.13Å; G763-L765 VanDerWaalsContact C-N 3.29Å; G763-L765 PolarHBondContact O-N 3.21Å
766	R	87.6	Confident	89	Confident	142 Å²	142	43.6 Å²	43.6	54%	0.536	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	161.8	179.4	65.2	-178.9	-174.9	177.3	3.1	111.9	N764	N764-R766 VanDerWaalsContact C-N 3.27Å; N764-R766 PolarHBondContact O-N 3.3Å; N764-R766 VanDerWaalsContact O-N 3.15Å
767	H	91.1	Very high	88.6	Confident	11 Å²	11	47 Å²	47	5%	0.051	27%	0.265	C	S	.	.			trans	-68.1	152	170.1	58.8	-67.5	0	0	0	110.8	Q672 L674 A757 A760	Q672-H767 WeakPolarHBondContact O-CA 3.42Å; L674-H767 HydrophobicContact CB-CB 3.64Å; A757-H767 PolarHBondContact O-CE1 2.81Å; A757-H767 PolarHBondContact O-NE2 2.89Å; A760-H767 PolarHBondContact O-CE1 3.41Å; A760-H767 VanDerWaalsContact O-CE1 3.25Å; A760-H767 PolarHBondContact O-ND1 3.45Å
768	N	90.1	Very high	88.3	Confident	32 Å²	32	46.9 Å²	46.9	17%	0.171	26%	0.263	C	S	.	.			trans	-132.6	-0.9	170.7	68.2	3.4	0	0	0	111.9	W669 R670 Q672 I804 A805	W669-N768 HydrophobicContact CZ2-CB 4.45Å; W669-N768 PolarHBondContact NE1-ND2 3.2Å; R670-N768 PolarHBondContact O-ND2 3.03Å; Q672-N768 WeakPolarHBondContact CA-OD1 3.31Å; Q672-N768 PolarHBondContact N-OD1 3.13Å; Q672-N768 PolarHBondContact O-N 3.46Å; Q672-N768 PolarHBondContact O-OD1 3.49Å; N768-I804 VanDerWaalsContact C-CG2 3.43Å; N768-I804 WeakPolarHBondContact O-CG2 3.45Å; N768-A805 PolarHBondContact O-N 3.19Å
769	T	92.5	Very high	88	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	126.8	178	-50.3	0	0	0	0	108.5	W669 Q672 I673 L674 A805 L807	W669-T769 VanDerWaalsContact CH2-OG1 3.23Å; W669-T769 WeakPolarHBondContact CH2-OG1 3.25Å; W669-T769 WeakPolarHBondContact CZ2-OG1 3.02Å; Q672-T769 PolarHBondContact O-N 3.45Å; I673-T769 CarbonylContact C-O 3.6Å; I673-T769 WeakPolarHBondContact CA-O 3.37Å; L674-T769 PolarHBondContact N-O 3.12Å; T769-A805 CarbonylContact C-O 3.56Å; T769-A805 VanDerWaalsContact CA-O 3.27Å; T769-A805 WeakPolarHBondContact CA-O 3.4Å; T769-A805 HydrophobicContact CG2-CB 4.34Å; T769-L807 HydrophobicContact CG2-CD1 3.7Å; T769-L807 HydrophobicContact CG2-CG 3.66Å
770	L	94.6	Very high	87.6	Confident	1 Å²	1	46 Å²	46	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	128.5	174.5	-179.8	67.9	0	0	0	109.3	L674 M753 V772 T795 A799 I804 A805 M806 L807	L674-L770 HydrophobicContact CB-CD1 4.19Å; L674-L770 HydrophobicContact CD2-CD1 3.68Å; L674-L770 HydrophobicContact CG-CD1 3.83Å; L674-L770 CarbonylContact O-C 3.59Å; L674-L770 WeakPolarHBondContact O-CA 3.46Å; M753-L770 HydrophobicContact SD-CD1 4.3Å; M753-L770 HydrophobicContact SD-CD2 4.26Å; L770-V772 HydrophobicContact CD1-CG2 4.3Å; L770-V772 HydrophobicContact CD2-CG2 4.11Å; L770-V772 HydrophobicContact CG-CG2 3.87Å; L770-T795 HydrophobicContact CD2-CG2 3.65Å; L770-A799 HydrophobicContact CD2-CB 3.96Å; L770-I804 HydrophobicContact CB-CG2 4.08Å; L770-A805 PolarHBondContact N-O 2.92Å; L770-M806 HydrophobicContact CB-CG 4.45Å; L770-M806 HydrophobicContact CD2-CE 4.36Å; L770-M806 CarbonylContact O-C 3.6Å; L770-M806 VanDerWaalsContact O-CA 3.31Å; L770-M806 WeakPolarHBondContact O-CA 3.33Å; L770-L807 PolarHBondContact O-N 2.94Å
771	M	94.4	Very high	87.1	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	121.5	179.8	-169.9	176.7	-174.4	0	0	110.6	I673 L674 V675 Y676 L690 L693 V694 L807 P809	I673-M771 HydrophobicContact CG2-CB 3.65Å; I673-M771 HydrophobicContact CG2-SD 4.24Å; L674-M771 PolarHBondContact O-N 3.2Å; V675-M771 HydrophobicContact CG2-CB 4.47Å; Y676-M771 PolarHBondContact N-O 2.89Å; L690-M771 HydrophobicContact CD1-CE 3.59Å; L690-M771 HydrophobicContact CD1-CG 4.15Å; L690-M771 HydrophobicContact CD1-SD 4.23Å; L693-M771 HydrophobicContact CB-CE 4.11Å; L693-M771 HydrophobicContact CD2-CE 3.37Å; L693-M771 HydrophobicContact CG-CE 3.64Å; V694-M771 HydrophobicContact CG2-CE 4.2Å; V694-M771 HydrophobicContact CG2-SD 3.41Å; V694-M771 WeakPolarHBondContact CG2-SD 3.21Å; M771-L807 VanDerWaalsContact CA-O 3.28Å; M771-L807 WeakPolarHBondContact CA-O 3.26Å; M771-L807 HydrophobicContact CB-CB 4.4Å; M771-L807 HydrophobicContact CG-CB 4.14Å; M771-P809 HydrophobicContact CE-CG 4.1Å
772	V	92.3	Very high	86.5	Confident	7 Å²	7	46.9 Å²	46.9	4%	0.042	25%	0.247	C	C	.	.			trans	-140	134.3	-173.4	-177	0	0	0	0	109.3	Y676 L770 F792 T795 L807 V808 P809	Y676-V772 HydrophobicContact CD1-CG1 4.21Å; L770-V772 HydrophobicContact CD1-CG2 4.3Å; L770-V772 HydrophobicContact CD2-CG2 4.11Å; L770-V772 HydrophobicContact CG-CG2 3.87Å; V772-F792 HydrophobicContact CG1-CD2 4.47Å; V772-T795 HydrophobicContact CG2-CG2 4.02Å; V772-L807 PolarHBondContact N-O 3.11Å; V772-L807 VanDerWaalsContact N-O 3.15Å; V772-V808 WeakPolarHBondContact O-CA 3.43Å; V772-P809 WeakPolarHBondContact O-CD 3.01Å
773	S	90.8	Very high	85.7	Confident	14 Å²	14	50.7 Å²	50.7	10%	0.098	26%	0.259	C	S	.	.			trans	-64.3	140.6	175	55.5	0	0	0	0	112.2
774	Y	91.1	Very high	85.1	Confident	7 Å²	7	53.6 Å²	53.6	3%	0.027	27%	0.272	C	S	.	.			trans	-63.9	135.9	173.3	-170.5	-97.2	0	0	0	111.4	E776 V808 P809 K810 M1139 I1142 E1143 L1154	Y774-E776 HydrophobicContact CD1-CG 4.36Å; Y774-E776 PolarHBondContact O-N 3.29Å; Y774-E776 VanDerWaalsContact O-N 3.1Å; Y774-V808 HydrophobicContact CD2-CG1 4.01Å; Y774-V808 HydrophobicContact CG-CG1 4.49Å; Y774-P809 WeakPolarHBondContact CB-O 3.47Å; Y774-P809 PolarHBondContact N-O 2.87Å; Y774-K810 HydrophobicContact CD1-CB 4.35Å; Y774-K810 HydrophobicContact CD1-CD 4.06Å; Y774-K810 HydrophobicContact CD1-CG 3.7Å; Y774-K810 HydrophobicContact CE1-CD 4.08Å; Y774-K810 HydrophobicContact CE1-CG 4.23Å; Y774-K810 HydrophobicContact CG-CB 4.01Å; Y774-K810 HydrophobicContact CG-CD 4.36Å; Y774-K810 HydrophobicContact CG-CG 3.89Å; Y774-M1139 HydrophobicContact CE1-CE 4.46Å; Y774-M1139 HydrophobicContact CE2-CE 3.69Å; Y774-M1139 WeakPolarHBondContact OH-CE 2.99Å; Y774-I1142 HydrophobicContact CE2-CG2 3.87Å; Y774-E1143 VanDerWaalsContact CE1-OE2 3.3Å; Y774-E1143 WeakPolarHBondContact CE1-OE2 3.22Å; Y774-E1143 PolarHBondContact OH-OE2 3.31Å; Y774-L1154 HydrophobicContact CD2-CD1 4.09Å; Y774-L1154 HydrophobicContact CE2-CD1 4.29Å
775	P	88.8	Confident	84.6	Confident	20 Å²	20	56 Å²	56	13%	0.13	29%	0.292	C	S	.	.			trans	-80.8	87.9	-178.9	32.7	-35.6	0	0	0	111.4	D777 W778 F792 M1139	P775-D777 PolarHBondContact O-N 3.04Å; P775-W778 HydrophobicContact CB-CB 4.32Å; P775-W778 HydrophobicContact CG-CB 4.3Å; P775-W778 WeakPolarHBondContact O-CB 3.43Å; P775-W778 PolarHBondContact O-N 3.37Å; P775-F792 HydrophobicContact CG-CB 3.96Å; P775-F792 HydrophobicContact CG-CD1 4.27Å; P775-F792 HydrophobicContact CG-CD2 4.14Å; P775-F792 HydrophobicContact CG-CG 3.86Å; P775-M1139 HydrophobicContact CG-CE 3.94Å
776	E	83.1	Confident	84.1	Confident	99 Å²	99	53.1 Å²	53.1	46%	0.463	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-40.6	-173	-59.9	-169.2	175.8	0	0	114	Y774 W778 G811	Y774-E776 HydrophobicContact CD1-CG 4.36Å; Y774-E776 PolarHBondContact O-N 3.29Å; Y774-E776 VanDerWaalsContact O-N 3.1Å; E776-W778 PolarHBondContact O-N 2.93Å; E776-G811 WeakPolarHBondContact OE1-CA 3.29Å; E776-G811 PolarHBondContact OE1-N 2.82Å
777	D	83.2	Confident	83.7	Confident	90 Å²	90	48.3 Å²	48.3	48%	0.481	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	17.1	-178.6	-45.4	-51.8	0	0	0	114.6	P775 R779 V780 D781 K788	P775-D777 PolarHBondContact O-N 3.04Å; D777-R779 PolarHBondContact O-N 3.38Å; D777-R779 VanDerWaalsContact O-N 3.17Å; D777-V780 PolarHBondContact O-N 2.92Å; D777-D781 PolarHBondContact O-N 2.98Å; D777-K788 IonicContact OD2-NZ 3.78Å; D777-K788 PolarHBondContact OD2-NZ 3.45Å
778	W	85.6	Confident	83.2	Confident	1 Å²	1	51.2 Å²	51.2	0%	0.004	28%	0.282	C	S	.	.	H	α-helix	trans	-58.2	-34.4	-172.4	72	-89	0	0	0	112.9	P775 E776 C782 L789 Y1136 M1139 D1140 E1143	P775-W778 HydrophobicContact CB-CB 4.32Å; P775-W778 HydrophobicContact CG-CB 4.3Å; P775-W778 WeakPolarHBondContact O-CB 3.43Å; P775-W778 PolarHBondContact O-N 3.37Å; E776-W778 PolarHBondContact O-N 2.93Å; W778-C782 WeakPolarHBondContact O-CB 3.42Å; W778-C782 PolarHBondContact O-N 2.96Å; W778-L789 HydrophobicContact CE3-CD1 4.4Å; W778-Y1136 HydrophobicContact CH2-CE2 4.31Å; W778-Y1136 AromaticContact CZ3-CD2 3.86Å; W778-Y1136 HydrophobicContact CZ3-CD2 3.86Å; W778-Y1136 AromaticContact CZ3-CE2 3.77Å; W778-Y1136 HydrophobicContact CZ3-CE2 3.77Å; W778-M1139 HydrophobicContact CD2-CB 4.09Å; W778-M1139 HydrophobicContact CD2-CE 4.32Å; W778-M1139 HydrophobicContact CE3-CB 4.05Å; W778-M1139 HydrophobicContact CG-CE 4.1Å; W778-M1139 HydrophobicContact CH2-CB 3.74Å; W778-M1139 HydrophobicContact CZ2-CB 3.77Å; W778-M1139 HydrophobicContact CZ3-CB 3.89Å; W778-D1140 HydrophobicContact CH2-CB 4.22Å; W778-E1143 HydrophobicContact CZ2-CB 4.12Å; W778-E1143 HydrophobicContact CZ2-CG 4.39Å; W778-E1143 PolarHBondContact NE1-OE2 3.22Å
779	R	82.7	Confident	83	Confident	106 Å²	106	50.3 Å²	50.3	40%	0.4	28%	0.277	S	S	.	.	H	α-helix	trans	-67.3	-37.8	177.1	-71.6	-176	171.5	152.4	-6.3	112.9	D777 D1140 E1143	D777-R779 PolarHBondContact O-N 3.38Å; D777-R779 VanDerWaalsContact O-N 3.17Å; R779-D1140 IonicContact CZ-OD1 2.9Å; R779-D1140 IonicContact NE-OD1 2.62Å; R779-D1140 IonicContact NH2-OD1 3.15Å; R779-D1140 PolarHBondContact NH2-OD1 3.09Å; R779-E1143 VanDerWaalsContact CZ-CG 3.49Å
780	V	81.2	Confident	82.5	Confident	104 Å²	104	52.7 Å²	52.7	63%	0.63	29%	0.293	S	S	*	.	H	α-helix	trans	-72.4	-45.2	178.4	-178.2	0	0	0	0	109.4	D777 C782 K783	D777-V780 PolarHBondContact O-N 2.92Å; V780-C782 VanDerWaalsContact C-N 3.31Å; V780-C782 PolarHBondContact O-N 3.41Å; V780-K783 WeakPolarHBondContact O-CB 3.36Å; V780-K783 PolarHBondContact O-N 2.66Å; V780-K783 VanDerWaalsContact O-N 3.17Å
781	D	79.6	Confident	82.2	Confident	29 Å²	29	55 Å²	55	16%	0.155	30%	0.303	C	S	.	.	H	α-helix	trans	-64	-36.6	177.5	-174.5	66.6	0	0	0	112.2	D777 K783 S784 S785 G786 S787 K788	D777-D781 PolarHBondContact O-N 2.98Å; D781-K783 PolarHBondContact O-N 3.04Å; D781-S784 PolarHBondContact O-N 3.46Å; D781-S785 PolarHBondContact O-N 2.92Å; D781-G786 PolarHBondContact O-N 3.37Å; D781-S787 PolarHBondContact OD2-N 2.9Å; D781-K788 HydrophobicContact CB-CB 4.25Å; D781-K788 HydrophobicContact CB-CD 3.96Å; D781-K788 HydrophobicContact CB-CG 4.17Å; D781-K788 WeakPolarHBondContact OD2-CB 3.41Å; D781-K788 PolarHBondContact OD2-N 3.05Å
782	C	75.8	Confident	81.9	Confident	46 Å²	46	55.5 Å²	55.5	31%	0.311	31%	0.306	S	S	.	.	H	α-helix	trans	-60.3	-26.6	176.2	-166	0	0	0	0	113.3	W778 V780	W778-C782 WeakPolarHBondContact O-CB 3.42Å; W778-C782 PolarHBondContact O-N 2.96Å; V780-C782 VanDerWaalsContact C-N 3.31Å; V780-C782 PolarHBondContact O-N 3.41Å
783	K	69.4	Low	81.7	Confident	191 Å²	191	55.2 Å²	55.2	83%	0.83	30%	0.304	S	S	*	.	H	α-helix	trans	-78.4	-21.6	175	-66.3	179.7	-179.9	-176.8	0	113.2	V780 D781	V780-K783 WeakPolarHBondContact O-CB 3.36Å; V780-K783 PolarHBondContact O-N 2.66Å; V780-K783 VanDerWaalsContact O-N 3.17Å; D781-K783 PolarHBondContact O-N 3.04Å
784	S	68.9	Low	81.5	Confident	109 Å²	109	55.4 Å²	55.4	76%	0.762	31%	0.305	S	S	*	.	H	α-helix	trans	-100.9	-61.2	-176.8	-178.1	0	0	0	0	111.8	D781	D781-S784 PolarHBondContact O-N 3.46Å
785	S	69.1	Low	81.4	Confident	86 Å²	86	55.3 Å²	55.3	60%	0.601	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.8	-21.1	-170.2	-177.1	0	0	0	0	114.4	D781 S787	D781-S785 PolarHBondContact O-N 2.92Å; S785-S787 PolarHBondContact O-N 2.93Å; S785-S787 VanDerWaalsContact O-N 3.08Å
786	G	74.4	Confident	81.5	Confident	19 Å²	19	54.4 Å²	54.4	20%	0.196	30%	0.299	C	S	.	.			trans	62.1	11.7	-176.9	0	0	0	0	0	115.3	D781 S790	D781-G786 PolarHBondContact O-N 3.37Å; G786-S790 PolarHBondContact O-N 3.03Å; G786-S790 VanDerWaalsContact O-N 3.16Å
787	S	79.4	Confident	81.7	Confident	41 Å²	41	53 Å²	53	29%	0.287	29%	0.29	S	S	.	.	H	α-helix	trans	-68.5	-43.5	-173.5	-173.1	0	0	0	0	111.8	D781 S785 L789 S790 K791	D781-S787 PolarHBondContact OD2-N 2.9Å; S785-S787 PolarHBondContact O-N 2.93Å; S785-S787 VanDerWaalsContact O-N 3.08Å; S787-L789 VanDerWaalsContact C-N 3.34Å; S787-L789 PolarHBondContact O-N 3.4Å; S787-S790 PolarHBondContact O-N 3.41Å; S787-K791 VanDerWaalsContact O-CB 3.29Å; S787-K791 WeakPolarHBondContact O-CB 3.24Å; S787-K791 WeakPolarHBondContact O-CG 3.38Å; S787-K791 PolarHBondContact O-N 3.35Å; S787-K791 VanDerWaalsContact OG-CE 3.23Å; S787-K791 WeakPolarHBondContact OG-CE 3.45Å
788	K	81.3	Confident	82	Confident	72 Å²	72	49.3 Å²	49.3	31%	0.313	27%	0.272	S	S	.	.	H	α-helix	trans	-63.1	-40.2	179.4	-67.4	-175.4	-177.5	178.7	0	111.9	D777 D781 K791 F792	D777-K788 IonicContact OD2-NZ 3.78Å; D777-K788 PolarHBondContact OD2-NZ 3.45Å; D781-K788 HydrophobicContact CB-CB 4.25Å; D781-K788 HydrophobicContact CB-CD 3.96Å; D781-K788 HydrophobicContact CB-CG 4.17Å; D781-K788 WeakPolarHBondContact OD2-CB 3.41Å; D781-K788 PolarHBondContact OD2-N 3.05Å; K788-K791 PolarHBondContact O-N 2.98Å; K788-F792 PolarHBondContact O-N 3.29Å
789	L	84.3	Confident	82.2	Confident	12 Å²	12	49.3 Å²	49.3	6%	0.063	27%	0.272	C	S	.	.	H	α-helix	trans	-61.9	-51.9	176.7	172.7	63.7	0	0	0	110.6	W778 S787 K791 F792 I793 M1139	W778-L789 HydrophobicContact CE3-CD1 4.4Å; S787-L789 VanDerWaalsContact C-N 3.34Å; S787-L789 PolarHBondContact O-N 3.4Å; L789-K791 VanDerWaalsContact C-N 3.31Å; L789-K791 PolarHBondContact O-N 3.44Å; L789-F792 PolarHBondContact O-N 2.84Å; L789-I793 HydrophobicContact CD1-CG1 4.06Å; L789-I793 WeakPolarHBondContact O-CG1 3.43Å; L789-I793 PolarHBondContact O-N 3.14Å; L789-M1139 HydrophobicContact CD1-CB 4.04Å; L789-M1139 HydrophobicContact CD1-CG 3.27Å
790	S	83.4	Confident	82.4	Confident	51 Å²	51	47.7 Å²	47.7	36%	0.357	27%	0.269	S	S	.	.	H	α-helix	trans	-60.8	-42.9	179.6	-162.1	0	0	0	0	111.3	G786 S787 F792 I793 S794	G786-S790 PolarHBondContact O-N 3.03Å; G786-S790 VanDerWaalsContact O-N 3.16Å; S787-S790 PolarHBondContact O-N 3.41Å; S790-F792 PolarHBondContact O-N 3.22Å; S790-I793 PolarHBondContact O-N 3.5Å; S790-S794 VanDerWaalsContact O-CB 3.23Å; S790-S794 WeakPolarHBondContact O-CB 3.23Å; S790-S794 PolarHBondContact O-N 2.9Å; S790-S794 PolarHBondContact O-OG 2.96Å
791	K	86.5	Confident	82.6	Confident	50 Å²	50	46.6 Å²	46.6	22%	0.217	27%	0.271	C	S	.	.	H	α-helix	trans	-59.8	-43.9	176.9	-74.1	171.1	175.6	-175.1	0	113.9	E711 I749 D750 S787 K788 L789 S794 T795	E711-K791 IonicContact OE1-NZ 2.84Å; E711-K791 PolarHBondContact OE1-NZ 3.35Å; I749-K791 HydrophobicContact CB-CD 4.41Å; I749-K791 HydrophobicContact CD1-CD 4.47Å; D750-K791 VanDerWaalsContact OD1-CA 3.24Å; D750-K791 WeakPolarHBondContact OD1-CA 3.3Å; S787-K791 VanDerWaalsContact O-CB 3.29Å; S787-K791 WeakPolarHBondContact O-CB 3.24Å; S787-K791 WeakPolarHBondContact O-CG 3.38Å; S787-K791 PolarHBondContact O-N 3.35Å; S787-K791 VanDerWaalsContact OG-CE 3.23Å; S787-K791 WeakPolarHBondContact OG-CE 3.45Å; K788-K791 PolarHBondContact O-N 2.98Å; L789-K791 VanDerWaalsContact C-N 3.31Å; L789-K791 PolarHBondContact O-N 3.44Å; K791-S794 PolarHBondContact O-OG 3.1Å; K791-T795 WeakPolarHBondContact O-CB 3.46Å; K791-T795 PolarHBondContact O-N 3.16Å; K791-T795 PolarHBondContact O-OG1 2.9Å
792	F	89.4	Confident	83	Confident	12 Å²	12	47 Å²	47	5%	0.053	28%	0.276	C	S	.	.	H	α-helix	trans	-70.5	-42.2	178.8	-178.2	-104.6	0	0	0	112	V772 P775 K788 L789 S790 T795 L796 V808 M1139	V772-F792 HydrophobicContact CG1-CD2 4.47Å; P775-F792 HydrophobicContact CG-CB 3.96Å; P775-F792 HydrophobicContact CG-CD1 4.27Å; P775-F792 HydrophobicContact CG-CD2 4.14Å; P775-F792 HydrophobicContact CG-CG 3.86Å; K788-F792 PolarHBondContact O-N 3.29Å; L789-F792 PolarHBondContact O-N 2.84Å; S790-F792 PolarHBondContact O-N 3.22Å; F792-T795 WeakPolarHBondContact O-CB 3.39Å; F792-T795 PolarHBondContact O-N 2.97Å; F792-L796 WeakPolarHBondContact O-CB 3.29Å; F792-L796 PolarHBondContact O-N 3.46Å; F792-V808 HydrophobicContact CE2-CG1 3.93Å; F792-V808 HydrophobicContact CE2-CG2 4.18Å; F792-V808 HydrophobicContact CZ-CG1 3.92Å; F792-V808 HydrophobicContact CZ-CG2 4.19Å; F792-M1139 HydrophobicContact CD1-CE 4.13Å; F792-M1139 HydrophobicContact CD1-SD 3.61Å; F792-M1139 HydrophobicContact CE1-CE 4.24Å; F792-M1139 HydrophobicContact CE1-SD 3.67Å
793	I	88.1	Confident	83.5	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-70.7	-37.7	180	-63.4	-65.9	0	0	0	111.9	L789 S790 T795 L796 R797 E1135 Y1138 M1139	L789-I793 HydrophobicContact CD1-CG1 4.06Å; L789-I793 WeakPolarHBondContact O-CG1 3.43Å; L789-I793 PolarHBondContact O-N 3.14Å; S790-I793 PolarHBondContact O-N 3.5Å; I793-T795 VanDerWaalsContact C-N 3.29Å; I793-T795 PolarHBondContact O-N 3.43Å; I793-L796 HydrophobicContact CD1-CD2 4.34Å; I793-L796 PolarHBondContact O-N 2.98Å; I793-R797 HydrophobicContact CG2-CG 4.42Å; I793-R797 WeakPolarHBondContact O-CB 3.25Å; I793-R797 WeakPolarHBondContact O-CG 3.25Å; I793-R797 PolarHBondContact O-N 3.37Å; I793-E1135 HydrophobicContact CG1-CB 4.2Å; I793-E1135 HydrophobicContact CG2-CG 4Å; I793-Y1138 HydrophobicContact CD1-CD1 3.62Å; I793-Y1138 HydrophobicContact CD1-CE1 4.09Å; I793-M1139 HydrophobicContact CD1-CG 4.21Å; I793-M1139 HydrophobicContact CD1-SD 4.25Å
794	S	86.9	Confident	84.5	Confident	17 Å²	17	40 Å²	40	12%	0.119	24%	0.244	C	C	.	.	H	α-helix	trans	-59.9	-43.2	173.8	73.1	0	0	0	0	110.5	D750 S790 K791 R797 A798	D750-S794 WeakPolarHBondContact OD1-CB 3.43Å; D750-S794 PolarHBondContact OD1-OG 3.47Å; S790-S794 VanDerWaalsContact O-CB 3.23Å; S790-S794 WeakPolarHBondContact O-CB 3.23Å; S790-S794 PolarHBondContact O-N 2.9Å; S790-S794 PolarHBondContact O-OG 2.96Å; K791-S794 PolarHBondContact O-OG 3.1Å; S794-R797 PolarHBondContact O-N 3.42Å; S794-A798 WeakPolarHBondContact O-CB 3.43Å; S794-A798 PolarHBondContact O-N 2.99Å
795	T	89.2	Confident	85.6	Confident	6 Å²	6	34.9 Å²	34.9	4%	0.037	21%	0.208	C	C	.	.	H	α-helix	trans	-61.3	-47.6	175.2	-57.3	0	0	0	0	111.7	M753 L770 V772 K791 F792 I793 R797 A798 A799 M806	M753-T795 HydrophobicContact CE-CG2 3.9Å; M753-T795 HydrophobicContact CG-CG2 3.57Å; M753-T795 WeakPolarHBondContact CG-OG1 3.42Å; M753-T795 HydrophobicContact SD-CG2 3.78Å; L770-T795 HydrophobicContact CD2-CG2 3.65Å; V772-T795 HydrophobicContact CG2-CG2 4.02Å; K791-T795 WeakPolarHBondContact O-CB 3.46Å; K791-T795 PolarHBondContact O-N 3.16Å; K791-T795 PolarHBondContact O-OG1 2.9Å; F792-T795 WeakPolarHBondContact O-CB 3.39Å; F792-T795 PolarHBondContact O-N 2.97Å; I793-T795 VanDerWaalsContact C-N 3.29Å; I793-T795 PolarHBondContact O-N 3.43Å; T795-R797 VanDerWaalsContact C-N 3.34Å; T795-R797 PolarHBondContact O-N 3.25Å; T795-A798 PolarHBondContact O-N 2.99Å; T795-A799 PolarHBondContact O-N 3.43Å; T795-M806 HydrophobicContact CG2-CE 4.47Å
796	L	89.4	Confident	86.8	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60.8	-42	177.6	179.8	64.4	0	0	0	112.1	F792 I793 Q800 M806 P1128 Y1138	F792-L796 WeakPolarHBondContact O-CB 3.29Å; F792-L796 PolarHBondContact O-N 3.46Å; I793-L796 HydrophobicContact CD1-CD2 4.34Å; I793-L796 PolarHBondContact O-N 2.98Å; L796-Q800 WeakPolarHBondContact O-CB 3.38Å; L796-Q800 PolarHBondContact O-N 3.02Å; L796-Q800 VanDerWaalsContact O-N 3.09Å; L796-M806 HydrophobicContact CB-CE 4.42Å; L796-M806 HydrophobicContact CB-SD 4.34Å; L796-M806 HydrophobicContact CD1-CE 4.01Å; L796-M806 HydrophobicContact CD1-SD 3.3Å; L796-M806 WeakPolarHBondContact CD1-SD 3.44Å; L796-M806 HydrophobicContact CG-SD 4.35Å; L796-P1128 HydrophobicContact CD2-CB 4.09Å; L796-P1128 HydrophobicContact CD2-CG 3.77Å; L796-P1128 HydrophobicContact CG-CG 4.04Å; L796-Y1138 HydrophobicContact CD2-CD1 4.43Å; L796-Y1138 HydrophobicContact CD2-CE1 3.5Å; L796-Y1138 VanDerWaalsContact CD2-CE1 3.5Å
797	R	87.9	Confident	87.7	Confident	71 Å²	71	30.1 Å²	30.1	27%	0.268	17%	0.171	S	C	.	.	H	α-helix	trans	-68.4	-38.9	175.4	-72.3	-179.9	-176.5	139.7	1.4	111.9	I793 S794 T795 Q800 A801 P1128 E1135	I793-R797 HydrophobicContact CG2-CG 4.42Å; I793-R797 WeakPolarHBondContact O-CB 3.25Å; I793-R797 WeakPolarHBondContact O-CG 3.25Å; I793-R797 PolarHBondContact O-N 3.37Å; S794-R797 PolarHBondContact O-N 3.42Å; T795-R797 VanDerWaalsContact C-N 3.34Å; T795-R797 PolarHBondContact O-N 3.25Å; R797-Q800 PolarHBondContact O-N 2.9Å; R797-A801 WeakPolarHBondContact O-CB 3.4Å; R797-A801 PolarHBondContact O-N 3.22Å; R797-P1128 HydrophobicContact CG-CG 4.5Å; R797-E1135 IonicContact CZ-OE1 2.77Å; R797-E1135 IonicContact NH1-OE1 3.02Å; R797-E1135 PolarHBondContact NH1-OE1 2.71Å; R797-E1135 IonicContact NH2-OE1 2.75Å; R797-E1135 PolarHBondContact NH2-OE1 3.1Å
798	A	89	Confident	88.4	Confident	12 Å²	12	28.1 Å²	28.1	10%	0.099	16%	0.157	C	C	.	.	H	α-helix	trans	-63.9	-46.5	177.4	0	0	0	0	0	111.6	K754 S794 T795 Q800 A801 C802	K754-A798 HydrophobicContact CG-CB 4.01Å; S794-A798 WeakPolarHBondContact O-CB 3.43Å; S794-A798 PolarHBondContact O-N 2.99Å; T795-A798 PolarHBondContact O-N 2.99Å; A798-Q800 VanDerWaalsContact C-N 3.35Å; A798-Q800 PolarHBondContact O-N 2.9Å; A798-A801 PolarHBondContact O-N 3.28Å; A798-C802 PolarHBondContact O-N 3.32Å; A798-C802 PolarHBondContact O-SG 3.48Å
799	A	90.2	Very high	89	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.3	-42.7	175.8	0	0	0	0	0	112.1	L770 T795 A801 C802 D803 I804 M806	L770-A799 HydrophobicContact CD2-CB 3.96Å; T795-A799 PolarHBondContact O-N 3.43Å; A799-A801 PolarHBondContact O-N 3.16Å; A799-C802 PolarHBondContact O-N 3.01Å; A799-D803 PolarHBondContact O-N 3.05Å; A799-I804 PolarHBondContact O-N 3.33Å; A799-M806 HydrophobicContact CB-CE 4.43Å; A799-M806 HydrophobicContact CB-CG 3.66Å; A799-M806 HydrophobicContact CB-SD 3.42Å; A799-M806 WeakPolarHBondContact CB-SD 3.27Å
800	Q	86.2	Confident	89.4	Confident	72 Å²	72	25.2 Å²	25.2	34%	0.336	14%	0.144	S	C	.	.	H	α-helix	trans	-64.1	-39.3	175.6	-178.2	175.3	-15.8	0	0	112.4	L796 R797 A798 C802 D803	L796-Q800 WeakPolarHBondContact O-CB 3.38Å; L796-Q800 PolarHBondContact O-N 3.02Å; L796-Q800 VanDerWaalsContact O-N 3.09Å; R797-Q800 PolarHBondContact O-N 2.9Å; A798-Q800 VanDerWaalsContact C-N 3.35Å; A798-Q800 PolarHBondContact O-N 2.9Å; Q800-C802 VanDerWaalsContact C-N 3.29Å; Q800-C802 PolarHBondContact O-N 3.34Å; Q800-D803 PolarHBondContact O-N 3.47Å
801	A	87.2	Confident	89.5	Confident	82 Å²	82	23.5 Å²	23.5	68%	0.678	13%	0.134	S	C	*	.	H	α-helix	trans	-69.3	-27.4	178.1	0	0	0	0	0	112.9	R797 A798 A799	R797-A801 WeakPolarHBondContact O-CB 3.4Å; R797-A801 PolarHBondContact O-N 3.22Å; A798-A801 PolarHBondContact O-N 3.28Å; A799-A801 PolarHBondContact O-N 3.16Å
802	C	87.6	Confident	89.5	Confident	38 Å²	38	21.3 Å²	21.3	26%	0.257	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	4.1	179.6	-59.3	0	0	0	0	113.6	Q758 A798 A799 Q800 I804	Q758-C802 WeakPolarHBondContact CG-SG 3.31Å; A798-C802 PolarHBondContact O-N 3.32Å; A798-C802 PolarHBondContact O-SG 3.48Å; A799-C802 PolarHBondContact O-N 3.01Å; Q800-C802 VanDerWaalsContact C-N 3.29Å; Q800-C802 PolarHBondContact O-N 3.34Å; C802-I804 HydrophobicContact CB-CD1 3.49Å; C802-I804 VanDerWaalsContact CB-CD1 3.49Å; C802-I804 HydrophobicContact CB-CG1 3.71Å
803	D	86.4	Confident	89.2	Confident	76 Å²	76	25.2 Å²	25.2	41%	0.406	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	53.1	-172.3	-61.8	-39.3	0	0	0	112.3	A799 Q800 T1158 R1160	A799-D803 PolarHBondContact O-N 3.05Å; Q800-D803 PolarHBondContact O-N 3.47Å; D803-T1158 HydrophobicContact CB-CG2 4.43Å; D803-T1158 WeakPolarHBondContact O-CG2 3.35Å; D803-R1160 IonicContact OD2-CZ 2.91Å; D803-R1160 IonicContact OD2-NH1 2.88Å; D803-R1160 PolarHBondContact OD2-NH1 2.99Å; D803-R1160 IonicContact OD2-NH2 3.81Å; D803-R1160 PolarHBondContact OD2-NH2 3.13Å
804	I	90.2	Very high	89.1	Confident	14 Å²	14	27.1 Å²	27.1	7%	0.072	16%	0.16	C	C	.	.			trans	-116.2	132.7	179.2	-54.9	174	0	0	0	109.6	A757 N768 L770 A799 C802	A757-I804 HydrophobicContact CB-CD1 4.3Å; A757-I804 WeakPolarHBondContact O-CD1 3.21Å; N768-I804 VanDerWaalsContact C-CG2 3.43Å; N768-I804 WeakPolarHBondContact O-CG2 3.45Å; L770-I804 HydrophobicContact CB-CG2 4.08Å; A799-I804 PolarHBondContact O-N 3.33Å; C802-I804 HydrophobicContact CB-CD1 3.49Å; C802-I804 VanDerWaalsContact CB-CD1 3.49Å; C802-I804 HydrophobicContact CB-CG1 3.71Å
805	A	91.7	Very high	89.1	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	154.3	174.6	0	0	0	0	0	111	W669 N768 T769 L770 L838 R1156	W669-A805 HydrophobicContact CH2-CB 4.29Å; W669-A805 HydrophobicContact CZ2-CB 4.02Å; N768-A805 PolarHBondContact O-N 3.19Å; T769-A805 CarbonylContact C-O 3.56Å; T769-A805 VanDerWaalsContact CA-O 3.27Å; T769-A805 WeakPolarHBondContact CA-O 3.4Å; T769-A805 HydrophobicContact CG2-CB 4.34Å; L770-A805 PolarHBondContact N-O 2.92Å; A805-L838 HydrophobicContact CB-CD2 3.96Å; A805-R1156 CarbonylContact C-O 3.03Å; A805-R1156 VanDerWaalsContact CA-O 3.28Å; A805-R1156 WeakPolarHBondContact CA-O 3.45Å
806	M	93.5	Very high	89	Confident	4 Å²	4	27.1 Å²	27.1	2%	0.02	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	140	178.9	-67.5	-172.5	70.3	0	0	112.9	L770 T795 L796 A799 V808 V1155 R1156	L770-M806 HydrophobicContact CB-CG 4.45Å; L770-M806 HydrophobicContact CD2-CE 4.36Å; L770-M806 CarbonylContact O-C 3.6Å; L770-M806 VanDerWaalsContact O-CA 3.31Å; L770-M806 WeakPolarHBondContact O-CA 3.33Å; T795-M806 HydrophobicContact CG2-CE 4.47Å; L796-M806 HydrophobicContact CB-CE 4.42Å; L796-M806 HydrophobicContact CB-SD 4.34Å; L796-M806 HydrophobicContact CD1-CE 4.01Å; L796-M806 HydrophobicContact CD1-SD 3.3Å; L796-M806 WeakPolarHBondContact CD1-SD 3.44Å; L796-M806 HydrophobicContact CG-SD 4.35Å; A799-M806 HydrophobicContact CB-CE 4.43Å; A799-M806 HydrophobicContact CB-CG 3.66Å; A799-M806 HydrophobicContact CB-SD 3.42Å; A799-M806 WeakPolarHBondContact CB-SD 3.27Å; M806-V808 HydrophobicContact CE-CG2 4.21Å; M806-V1155 CarbonylContact O-C 3.39Å; M806-V1155 WeakPolarHBondContact O-CA 3.43Å; M806-R1156 HydrophobicContact CB-CB 4.35Å; M806-R1156 PolarHBondContact N-O 2.05Å; M806-R1156 PolarHBondContact O-N 3.49Å
807	L	94.4	Very high	88.7	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	116.3	171.9	-63.6	178.7	0	0	0	109	L697 T769 L770 M771 V772 T842 L1153 L1154 V1155	L697-L807 HydrophobicContact CD2-CD1 3.7Å; T769-L807 HydrophobicContact CG2-CD1 3.7Å; T769-L807 HydrophobicContact CG2-CG 3.66Å; L770-L807 PolarHBondContact O-N 2.94Å; M771-L807 VanDerWaalsContact CA-O 3.28Å; M771-L807 WeakPolarHBondContact CA-O 3.26Å; M771-L807 HydrophobicContact CB-CB 4.4Å; M771-L807 HydrophobicContact CG-CB 4.14Å; V772-L807 PolarHBondContact N-O 3.11Å; V772-L807 VanDerWaalsContact N-O 3.15Å; L807-T842 HydrophobicContact CD2-CG2 4.28Å; L807-L1153 HydrophobicContact CB-CD1 4.34Å; L807-L1154 WeakPolarHBondContact CA-O 3.41Å; L807-V1155 HydrophobicContact CD2-CB 4.3Å; L807-V1155 HydrophobicContact CD2-CG1 4.04Å; L807-V1155 HydrophobicContact CD2-CG2 3.75Å
808	V	94.5	Very high	88.1	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	95.8	-176.1	179.4	0	0	0	0	109.5	V772 Y774 F792 M806 M1125 L1154	V772-V808 WeakPolarHBondContact O-CA 3.43Å; Y774-V808 HydrophobicContact CD2-CG1 4.01Å; Y774-V808 HydrophobicContact CG-CG1 4.49Å; F792-V808 HydrophobicContact CE2-CG1 3.93Å; F792-V808 HydrophobicContact CE2-CG2 4.18Å; F792-V808 HydrophobicContact CZ-CG1 3.92Å; F792-V808 HydrophobicContact CZ-CG2 4.19Å; M806-V808 HydrophobicContact CE-CG2 4.21Å; V808-M1125 HydrophobicContact CB-CE 4.04Å; V808-M1125 HydrophobicContact CG2-CE 3.78Å; V808-L1154 HydrophobicContact CB-CB 4.06Å; V808-L1154 HydrophobicContact CG1-CD1 4.44Å; V808-L1154 PolarHBondContact N-O 3.46Å; V808-L1154 VanDerWaalsContact O-CB 3.29Å; V808-L1154 WeakPolarHBondContact O-CB 3.38Å; V808-L1154 PolarHBondContact O-N 3.17Å
809	P	94	Very high	87.4	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	129	172.7	28.8	-34	0	0	0	110.7	L690 L693 M771 V772 Y774 I812 F815 I1152 L1153	L690-P809 HydrophobicContact CD1-CG 3.57Å; L693-P809 HydrophobicContact CD2-CB 3.81Å; L693-P809 HydrophobicContact CD2-CG 4.1Å; M771-P809 HydrophobicContact CE-CG 4.1Å; V772-P809 WeakPolarHBondContact O-CD 3.01Å; Y774-P809 WeakPolarHBondContact CB-O 3.47Å; Y774-P809 PolarHBondContact N-O 2.87Å; P809-I812 HydrophobicContact CB-CD1 4.02Å; P809-I812 HydrophobicContact CG-CD1 4.05Å; P809-F815 HydrophobicContact CB-CE2 4.24Å; P809-F815 HydrophobicContact CB-CZ 4.22Å; P809-I1152 WeakPolarHBondContact CA-O 3.43Å; P809-L1153 HydrophobicContact CB-CD1 4.26Å
810	K	92.1	Very high	86.4	Confident	22 Å²	22	39.1 Å²	39.1	10%	0.096	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	137.7	170.6	-175.8	-175.9	-175	-166.5	0	109.2	Y774 E1143 T1146 I1152	Y774-K810 HydrophobicContact CD1-CB 4.35Å; Y774-K810 HydrophobicContact CD1-CD 4.06Å; Y774-K810 HydrophobicContact CD1-CG 3.7Å; Y774-K810 HydrophobicContact CE1-CD 4.08Å; Y774-K810 HydrophobicContact CE1-CG 4.23Å; Y774-K810 HydrophobicContact CG-CB 4.01Å; Y774-K810 HydrophobicContact CG-CD 4.36Å; Y774-K810 HydrophobicContact CG-CG 3.89Å; K810-E1143 WeakPolarHBondContact CE-OE1 3.45Å; K810-E1143 IonicContact NZ-OE1 2.79Å; K810-E1143 PolarHBondContact NZ-OE1 2.88Å; K810-E1143 IonicContact NZ-OE2 3.29Å; K810-T1146 PolarHBondContact NZ-OG1 2.8Å; K810-I1152 HydrophobicContact CB-CB 4.33Å; K810-I1152 HydrophobicContact CD-CD1 4.3Å; K810-I1152 PolarHBondContact N-O 3.11Å; K810-I1152 PolarHBondContact O-N 3.49Å
811	G	86.2	Confident	85.9	Confident	14 Å²	14	42.8 Å²	42.8	14%	0.144	25%	0.25	C	C	.	.	S	Bend	trans	74.4	39.9	-174.5	0	0	0	0	0	112.3	E776 D813 S814 F815	E776-G811 WeakPolarHBondContact OE1-CA 3.29Å; E776-G811 PolarHBondContact OE1-N 2.82Å; G811-D813 PolarHBondContact O-N 2.89Å; G811-D813 VanDerWaalsContact O-N 3.11Å; G811-S814 WeakPolarHBondContact O-CB 3.33Å; G811-S814 PolarHBondContact O-N 2.98Å; G811-S814 PolarHBondContact O-OG 3.13Å; G811-F815 WeakPolarHBondContact O-CD2 3.3Å
812	I	85.8	Confident	85.5	Confident	4 Å²	4	41.2 Å²	41.2	2%	0.021	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-57.7	-30.1	-172.2	-168.3	59.6	0	0	0	112.8	H687 R689 L690 L693 P809 S814 F815	H687-I812 HydrophobicContact CB-CG2 4.31Å; R689-I812 HydrophobicContact CB-CD1 4.45Å; R689-I812 HydrophobicContact CB-CG1 4.04Å; R689-I812 WeakPolarHBondContact CD-O 3.34Å; L690-I812 HydrophobicContact CB-CG1 4.46Å; L690-I812 HydrophobicContact CD1-CD1 4.29Å; L693-I812 HydrophobicContact CD2-CD1 4.27Å; P809-I812 HydrophobicContact CB-CD1 4.02Å; P809-I812 HydrophobicContact CG-CD1 4.05Å; I812-S814 PolarHBondContact O-N 3.24Å; I812-F815 HydrophobicContact CD1-CB 4.4Å; I812-F815 HydrophobicContact CD1-CD2 4.17Å; I812-F815 HydrophobicContact CD1-CG 4.26Å; I812-F815 WeakPolarHBondContact O-CB 3.28Å; I812-F815 PolarHBondContact O-N 2.93Å; I812-F815 VanDerWaalsContact O-N 3.14Å
813	D	83.6	Confident	85.3	Confident	94 Å²	94	41.3 Å²	41.3	50%	0.503	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-70	-11.4	175.8	-66.4	-27.4	0	0	0	114	R689 G811	R689-D813 PolarHBondContact NH1-O 3.18Å; R689-D813 PolarHBondContact NH2-O 3.42Å; G811-D813 PolarHBondContact O-N 2.89Å; G811-D813 VanDerWaalsContact O-N 3.11Å
814	S	84.8	Confident	85.2	Confident	41 Å²	41	44 Å²	44	29%	0.287	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-95.3	-9.1	173.9	75.1	0	0	0	0	113.3	G811 I812 S1150 R1151	G811-S814 WeakPolarHBondContact O-CB 3.33Å; G811-S814 PolarHBondContact O-N 2.98Å; G811-S814 PolarHBondContact O-OG 3.13Å; I812-S814 PolarHBondContact O-N 3.24Å; S814-S1150 PolarHBondContact OG-O 3.24Å; S814-R1151 WeakPolarHBondContact O-CD 3.46Å; S814-R1151 PolarHBondContact O-NH1 3.36Å; S814-R1151 WeakPolarHBondContact OG-CG 3.25Å
815	F	88.3	Confident	85.1	Confident	3 Å²	3	44.4 Å²	44.4	1%	0.013	25%	0.247	C	C	.	.	S	Bend	trans	-71.3	146.1	178.3	-82.9	-107.6	0	0	0	111.8	R689 L693 P809 G811 I812 L1120 R1151	R689-F815 PolarHBondContact NH1-O 3.31Å; L693-F815 HydrophobicContact CD1-CD1 3.85Å; L693-F815 HydrophobicContact CD1-CE1 3.86Å; L693-F815 HydrophobicContact CD2-CD1 3.98Å; L693-F815 HydrophobicContact CD2-CE1 3.76Å; L693-F815 HydrophobicContact CD2-CZ 4.3Å; L693-F815 HydrophobicContact CG-CD1 4.41Å; L693-F815 HydrophobicContact CG-CE1 4.44Å; P809-F815 HydrophobicContact CB-CE2 4.24Å; P809-F815 HydrophobicContact CB-CZ 4.22Å; G811-F815 WeakPolarHBondContact O-CD2 3.3Å; I812-F815 HydrophobicContact CD1-CB 4.4Å; I812-F815 HydrophobicContact CD1-CD2 4.17Å; I812-F815 HydrophobicContact CD1-CG 4.26Å; I812-F815 WeakPolarHBondContact O-CB 3.28Å; I812-F815 PolarHBondContact O-N 2.93Å; I812-F815 VanDerWaalsContact O-N 3.14Å; F815-L1120 HydrophobicContact CE1-CD1 3.72Å; F815-L1120 HydrophobicContact CZ-CD1 3.67Å; F815-R1151 HydrophobicContact CD2-CG 4.21Å; F815-R1151 HydrophobicContact CE2-CB 4.23Å; F815-R1151 HydrophobicContact CE2-CG 4.27Å; F815-R1151 HydrophobicContact CZ-CB 4.41Å
816	P	86.5	Confident	85.1	Confident	21 Å²	21	46.6 Å²	46.6	14%	0.136	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-69.7	140.9	-179.4	29.1	-34.7	0	0	0	111.4	Q696 M823 V851 W852	Q696-P816 PolarHBondContact NE2-O 3Å; P816-M823 HydrophobicContact CB-CG 4.44Å; P816-M823 HydrophobicContact CB-SD 4.5Å; P816-M823 HydrophobicContact CG-CG 4.41Å; P816-V851 HydrophobicContact CB-CG1 3.85Å; P816-V851 HydrophobicContact CG-CG1 3.63Å; P816-W852 HydrophobicContact CG-CH2 4.26Å; P816-W852 HydrophobicContact CG-CZ2 3.6Å
817	L	83.6	Confident	85.1	Confident	92 Å²	92	46.5 Å²	46.5	48%	0.482	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-65.5	147.7	170.3	-65.5	158.3	0	0	0	110	D692 K819 G820	D692-L817 WeakPolarHBondContact OD2-CA 3.48Å; D692-L817 VanDerWaalsContact OD2-CD2 3.29Å; D692-L817 WeakPolarHBondContact OD2-CD2 2.9Å; L817-K819 PolarHBondContact O-N 2.88Å; L817-K819 VanDerWaalsContact O-N 3.12Å; L817-G820 PolarHBondContact O-N 3.45Å
818	S	75.4	Confident	85.1	Confident	25 Å²	25	46.4 Å²	46.4	18%	0.175	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-24.2	180	-60.8	0	0	0	0	114	D692 Y695	D692-S818 WeakPolarHBondContact CA-OG 3.36Å; D692-S818 WeakPolarHBondContact CB-OG 3.1Å; D692-S818 VanDerWaalsContact CG-OG 3.29Å; D692-S818 PolarHBondContact O-OG 2.63Å; D692-S818 WeakPolarHBondContact OD1-CB 3.21Å; D692-S818 PolarHBondContact OD1-N 3.05Å; D692-S818 PolarHBondContact OD1-OG 3.18Å; Y695-S818 WeakPolarHBondContact CD1-OG 3.36Å
819	K	72.4	Confident	85.1	Confident	183 Å²	183	46.4 Å²	46.4	80%	0.796	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	1.3	175.7	-64.3	175.1	-174.3	163	0	113.1	L817	L817-K819 PolarHBondContact O-N 2.88Å; L817-K819 VanDerWaalsContact O-N 3.12Å
820	G	70.5	Confident	85.1	Confident	34 Å²	34	46.4 Å²	46.4	35%	0.351	26%	0.257	S	S	.	.	S	Bend	trans	-70.2	173.9	-175.9	0	0	0	0	0	114.1	L817	L817-G820 PolarHBondContact O-N 3.45Å
821	N	74.4	Confident	84.9	Confident	150 Å²	150	46.1 Å²	46.1	80%	0.802	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-62.1	154.3	172	-73.6	-18.1	0	0	0	110.7	M823	N821-M823 PolarHBondContact O-N 3.29Å
822	Q	79.8	Confident	84.8	Confident	49 Å²	49	45.5 Å²	45.5	23%	0.229	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-66.4	130.5	173.2	-55.6	-167.9	-60.7	0	0	109	R850 K854	Q822-R850 PolarHBondContact NE2-O 3.47Å; Q822-K854 HydrophobicContact CB-CD 4.37Å; Q822-K854 VanDerWaalsContact OE1-NZ 3.15Å
823	M	83.8	Confident	84.2	Confident	40 Å²	40	45.7 Å²	45.7	20%	0.197	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-72.9	143.4	172.4	-62.3	-61.6	-66.1	0	0	109	P816 N821 V851 D1119	P816-M823 HydrophobicContact CB-CG 4.44Å; P816-M823 HydrophobicContact CB-SD 4.5Å; P816-M823 HydrophobicContact CG-CG 4.41Å; N821-M823 PolarHBondContact O-N 3.29Å; M823-V851 HydrophobicContact CG-CG1 4.15Å; M823-V851 PolarHBondContact N-O 3.39Å; M823-D1119 HydrophobicContact CE-CB 4.3Å; M823-D1119 WeakPolarHBondContact CE-OD1 3.26Å
824	I	84.7	Confident	83.9	Confident	131 Å²	131	42.2 Å²	42.2	67%	0.672	23%	0.233	S	C	*	.			trans	-131.8	103.7	176.9	-55.4	174.7	0	0	0	105.8	K854	I824-K854 HydrophobicContact CD1-CD 4.41Å; I824-K854 HydrophobicContact CG1-CB 4.31Å; I824-K854 HydrophobicContact CG1-CD 4.17Å
825	G	87.9	Confident	83.6	Confident	24 Å²	24	41.4 Å²	41.4	25%	0.247	23%	0.226	C	C	.	.	S	Bend	trans	173.5	-151.2	-177	0	0	0	0	0	110.8	C855 H856 D1119	G825-C855 CarbonylContact O-C 3.49Å; G825-C855 WeakPolarHBondContact O-CA 3.18Å; G825-C855 WeakPolarHBondContact O-CB 3.34Å; G825-H856 PolarHBondContact O-N 3.46Å; G825-D1119 WeakPolarHBondContact CA-OD2 3.42Å; G825-D1119 PolarHBondContact N-OD2 3.47Å
826	N	91.8	Very high	83	Confident	46 Å²	46	41.6 Å²	41.6	25%	0.246	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	139.6	-172	-60.8	-36.7	0	0	0	111.9	H856 D1119 L1120	N826-H856 WeakPolarHBondContact CA-O 3.46Å; N826-D1119 PolarHBondContact O-N 2.76Å; N826-L1120 PolarHBondContact O-N 2.7Å
827	V	93.5	Very high	82.7	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	118.2	165.4	177.3	0	0	0	0	107.2	W852 C855 H856 L857 R858 L1120 I1122	V827-W852 HydrophobicContact CG2-CE3 3.79Å; V827-W852 HydrophobicContact CG2-CZ3 4.13Å; V827-C855 HydrophobicContact CG2-CB 3.86Å; V827-H856 PolarHBondContact N-O 2.74Å; V827-L857 HydrophobicContact CB-CD1 4.23Å; V827-L857 HydrophobicContact CG1-CD1 4.08Å; V827-R858 PolarHBondContact O-N 2.9Å; V827-L1120 HydrophobicContact CG1-CB 4.34Å; V827-L1120 HydrophobicContact CG1-CD2 4.26Å; V827-L1120 HydrophobicContact CG2-CB 4.35Å; V827-I1122 HydrophobicContact CG1-CD1 4.26Å
828	D	94.5	Very high	82.8	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124.7	-174.8	-69.4	-1.7	0	0	0	110.2	R858 F860 S1115 S1118 L1120 V1121 I1122	D828-R858 CarbonylContact C-O 3.6Å; D828-R858 WeakPolarHBondContact CA-O 3.41Å; D828-R858 VanDerWaalsContact CG-NH2 3.3Å; D828-R858 IonicContact OD1-CZ 2.81Å; D828-R858 IonicContact OD1-NE 3.52Å; D828-R858 PolarHBondContact OD1-NE 3.17Å; D828-R858 IonicContact OD1-NH2 2.72Å; D828-R858 PolarHBondContact OD1-NH2 3.13Å; D828-R858 VanDerWaalsContact OD1-NH2 3.14Å; D828-R858 IonicContact OD2-CZ 3.19Å; D828-R858 IonicContact OD2-NE 2.83Å; D828-R858 IonicContact OD2-NH2 3.91Å; D828-R858 PolarHBondContact OD2-NH2 3.22Å; D828-F860 HydrophobicContact CB-CD2 4.34Å; D828-F860 HydrophobicContact CB-CE2 3.97Å; D828-S1115 WeakPolarHBondContact OD2-CA 3.17Å; D828-S1115 WeakPolarHBondContact OD2-CB 3.48Å; D828-S1115 PolarHBondContact OD2-OG 3.46Å; D828-S1118 WeakPolarHBondContact OD2-CB 3.11Å; D828-L1120 PolarHBondContact N-O 3.08Å; D828-V1121 CarbonylContact O-C 3.49Å; D828-V1121 WeakPolarHBondContact O-CA 3.47Å; D828-I1122 PolarHBondContact O-N 3.46Å
829	V	93.8	Very high	83.5	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	118	178.9	-177.7	0	0	0	0	109.1	L839 S843 L857 R858 I859 F860 I1122	V829-L839 HydrophobicContact CG1-CB 3.82Å; V829-L839 HydrophobicContact CG1-CD2 3.89Å; V829-L839 HydrophobicContact CG1-CG 4.48Å; V829-S843 VanDerWaalsContact CG2-CB 3.48Å; V829-L857 HydrophobicContact CG2-CD1 3.71Å; V829-R858 PolarHBondContact N-O 3.41Å; V829-I859 HydrophobicContact CB-CG1 4.39Å; V829-I859 WeakPolarHBondContact O-CA 3.29Å; V829-F860 PolarHBondContact O-N 3.08Å; V829-I1122 WeakPolarHBondContact CA-O 3.4Å; V829-I1122 HydrophobicContact CG2-CB 4.4Å; V829-I1122 HydrophobicContact CG2-CD1 4.38Å
830	W	93.1	Very high	84.2	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	102.7	178.3	-75.4	81.3	0	0	0	110.3	I832 F860 V862 V892 L1110 L1111 H1114 S1115 I1122 V1123 N1124	W830-I832 PolarHBondContact O-N 3.21Å; W830-F860 HydrophobicContact CD2-CB 3.69Å; W830-F860 HydrophobicContact CD2-CD2 4.33Å; W830-F860 HydrophobicContact CD2-CG 4.14Å; W830-F860 AromaticContact CE2-CD2 3.82Å; W830-F860 AromaticContact CE2-CG 3.83Å; W830-F860 HydrophobicContact CE3-CB 3.74Å; W830-F860 HydrophobicContact CE3-CG 4.45Å; W830-F860 HydrophobicContact CG-CB 4.21Å; W830-F860 HydrophobicContact CH2-CB 4.27Å; W830-F860 HydrophobicContact CH2-CD1 4.23Å; W830-F860 HydrophobicContact CH2-CG 4.24Å; W830-F860 HydrophobicContact CZ2-CB 4.23Å; W830-F860 HydrophobicContact CZ2-CD1 4.11Å; W830-F860 HydrophobicContact CZ2-CD2 4.16Å; W830-F860 AromaticContact CZ2-CG 3.9Å; W830-F860 HydrophobicContact CZ2-CG 3.9Å; W830-F860 HydrophobicContact CZ3-CB 4.03Å; W830-F860 HydrophobicContact CZ3-CG 4.49Å; W830-F860 AromaticContact NE1-CD2 3.72Å; W830-V862 HydrophobicContact CE3-CG2 3.99Å; W830-V862 HydrophobicContact CZ3-CG2 4.23Å; W830-V892 HydrophobicContact CZ3-CG2 4.44Å; W830-L1110 HydrophobicContact CH2-CB 4.35Å; W830-L1111 HydrophobicContact CD2-CD2 3.78Å; W830-L1111 HydrophobicContact CD2-CG 4.31Å; W830-L1111 HydrophobicContact CG-CD2 3.74Å; W830-L1111 HydrophobicContact CZ2-CD2 4.36Å; W830-L1111 HydrophobicContact CZ2-CG 4.46Å; W830-H1114 HydrophobicContact CH2-CB 4.43Å; W830-H1114 HydrophobicContact CZ2-CB 3.96Å; W830-S1115 PolarHBondContact NE1-OG 2.78Å; W830-I1122 PolarHBondContact N-O 3.19Å; W830-V1123 HydrophobicContact CB-CB 4.16Å; W830-V1123 HydrophobicContact CB-CG2 3.91Å; W830-N1124 PolarHBondContact O-OD1 2.75Å
831	C	87.9	Confident	85.1	Confident	17 Å²	17	25.5 Å²	25.5	12%	0.115	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	93.3	177.8	-66	0	0	0	0	110	F860 V862	C831-F860 PolarHBondContact N-O 3.44Å; C831-V862 PolarHBondContact O-N 3Å; C831-V862 VanDerWaalsContact O-N 3.11Å
832	I	83.9	Confident	85.7	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	99.2	-179.2	-49.7	161.9	0	0	0	109.9	W830 H834 V862 I899 Y902 L1107 V1123 N1124	W830-I832 PolarHBondContact O-N 3.21Å; I832-H834 PolarHBondContact O-N 3.17Å; I832-V862 HydrophobicContact CG1-CG2 3.91Å; I832-V862 HydrophobicContact CG2-CB 4.43Å; I832-I899 HydrophobicContact CG2-CG2 3.59Å; I832-Y902 HydrophobicContact CB-CD1 4.2Å; I832-Y902 HydrophobicContact CB-CE1 4.13Å; I832-Y902 HydrophobicContact CB-CE2 4.47Å; I832-Y902 HydrophobicContact CB-CG 4.4Å; I832-Y902 HydrophobicContact CD1-CE1 4.29Å; I832-Y902 HydrophobicContact CD1-CE2 4.04Å; I832-Y902 HydrophobicContact CG2-CD1 3.92Å; I832-Y902 HydrophobicContact CG2-CD2 3.58Å; I832-Y902 HydrophobicContact CG2-CE1 4.17Å; I832-Y902 HydrophobicContact CG2-CE2 3.84Å; I832-Y902 HydrophobicContact CG2-CG 3.61Å; I832-L1107 HydrophobicContact CD1-CD1 4.49Å; I832-L1107 HydrophobicContact CD1-CD2 3.78Å; I832-V1123 HydrophobicContact CD1-CG2 3.53Å; I832-V1123 HydrophobicContact CG1-CG2 4.48Å; I832-N1124 WeakPolarHBondContact CB-OD1 3.3Å; I832-N1124 WeakPolarHBondContact CG1-OD1 3.16Å; I832-N1124 PolarHBondContact N-OD1 2.66Å; I832-N1124 VanDerWaalsContact N-OD1 3.14Å; I832-N1124 PolarHBondContact O-ND2 3.23Å
833	V	75.2	Confident	86.2	Confident	8 Å²	8	16.1 Å²	16.1	5%	0.048	9%	0.093	C	C	.	.	S	Bend	trans	65.8	-50.7	175.2	-168.7	0	0	0	0	116	I899 V903 R906 Q932 R939	V833-I899 HydrophobicContact CG2-CG2 3.87Å; V833-V903 HydrophobicContact CG2-CG2 4.46Å; V833-R906 HydrophobicContact CG1-CB 4.29Å; V833-R906 HydrophobicContact CG1-CG 4.12Å; V833-Q932 PolarHBondContact O-NE2 3.02Å; V833-R939 PolarHBondContact O-NH1 3.1Å
834	H	76.2	Confident	86.5	Confident	21 Å²	21	16 Å²	16	10%	0.097	9%	0.09	C	C	.	.	S	Bend	trans	-126.9	175.1	-170.7	-61	-54.3	0	0	0	113.1	I832 G836 Y902 R906	I832-H834 PolarHBondContact O-N 3.17Å; H834-G836 PolarHBondContact O-N 2.96Å; H834-G836 VanDerWaalsContact O-N 3.11Å; H834-Y902 PolarHBondContact NE2-O 2.88Å; H834-R906 WeakPolarHBondContact CE1-CA 3.3Å; H834-R906 VanDerWaalsContact NE2-CA 3.32Å; H834-R906 WeakPolarHBondContact NE2-CA 3.36Å
835	D	78	Confident	86.6	Confident	25 Å²	25	11.1 Å²	11.1	13%	0.134	7%	0.065	C	C	.	.			trans	60.5	15.1	172.6	-59.3	-29.1	0	0	0	116	G837 L838 L839 G1157	D835-G837 PolarHBondContact O-N 2.86Å; D835-G837 VanDerWaalsContact O-N 3.08Å; D835-L838 PolarHBondContact O-N 3.09Å; D835-L839 HydrophobicContact CB-CD1 4.07Å; D835-L839 WeakPolarHBondContact O-CD1 3.31Å; D835-L839 PolarHBondContact O-N 3.16Å; D835-G1157 WeakPolarHBondContact OD1-CA 3.34Å; D835-G1157 PolarHBondContact OD1-N 3.14Å; D835-G1157 PolarHBondContact OD2-N 3.38Å
836	G	77.2	Confident	86.7	Confident	7 Å²	7	10 Å²	10	7%	0.072	5%	0.054	C	C	.	.	H	α-helix	trans	-55.9	-34.4	-171.2	0	0	0	0	0	114.1	H834 L840	H834-G836 PolarHBondContact O-N 2.96Å; H834-G836 VanDerWaalsContact O-N 3.11Å; G836-L840 WeakPolarHBondContact O-CB 3.5Å; G836-L840 PolarHBondContact O-N 3.24Å; G836-L840 VanDerWaalsContact O-N 3.11Å
837	G	79.7	Confident	86.6	Confident	3 Å²	3	9.6 Å²	9.6	3%	0.031	5%	0.051	C	C	.	.	H	α-helix	trans	-65.8	-45.6	175.4	0	0	0	0	0	113.2	D835 L840 L841 P931 I1163	D835-G837 PolarHBondContact O-N 2.86Å; D835-G837 VanDerWaalsContact O-N 3.08Å; G837-L840 PolarHBondContact O-N 3.48Å; G837-L841 WeakPolarHBondContact O-CB 3.22Å; G837-L841 PolarHBondContact O-N 3.27Å; G837-P931 VanDerWaalsContact CA-CG 3.44Å; G837-I1163 WeakPolarHBondContact O-CD1 3.34Å
838	L	85.6	Confident	86.2	Confident	5 Å²	5	14.6 Å²	14.6	3%	0.026	7%	0.07	C	C	.	.	H	α-helix	trans	-68	-41.7	-178.4	-179.8	62.1	0	0	0	111.4	W669 A805 D835 L841 T842 V1155	W669-L838 HydrophobicContact CE3-CD1 4.05Å; W669-L838 HydrophobicContact CH2-CD1 3.4Å; W669-L838 VanDerWaalsContact CH2-CD1 3.4Å; W669-L838 HydrophobicContact CZ2-CD1 4.39Å; W669-L838 HydrophobicContact CZ3-CD1 3.2Å; A805-L838 HydrophobicContact CB-CD2 3.96Å; D835-L838 PolarHBondContact O-N 3.09Å; L838-L841 PolarHBondContact O-N 3.46Å; L838-T842 WeakPolarHBondContact O-CB 3.46Å; L838-T842 PolarHBondContact O-N 3.05Å; L838-T842 PolarHBondContact O-OG1 2.97Å; L838-V1155 HydrophobicContact CD2-CG1 3.55Å; L838-V1155 HydrophobicContact CG-CG1 3.71Å
839	L	89.6	Confident	85.9	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-55.5	-52.1	173.2	-83	143	0	0	0	111.4	V829 D835 T842 S843 I1122 N1124	V829-L839 HydrophobicContact CG1-CB 3.82Å; V829-L839 HydrophobicContact CG1-CD2 3.89Å; V829-L839 HydrophobicContact CG1-CG 4.48Å; D835-L839 HydrophobicContact CB-CD1 4.07Å; D835-L839 WeakPolarHBondContact O-CD1 3.31Å; D835-L839 PolarHBondContact O-N 3.16Å; L839-T842 PolarHBondContact O-N 2.98Å; L839-S843 PolarHBondContact O-N 2.86Å; L839-S843 VanDerWaalsContact O-N 3.11Å; L839-S843 PolarHBondContact O-OG 3.21Å; L839-I1122 HydrophobicContact CD2-CG2 3.85Å; L839-N1124 HydrophobicContact CD1-CB 3.96Å
840	L	87.9	Confident	85.6	Confident	8 Å²	8	23.9 Å²	23.9	4%	0.042	11%	0.106	C	C	.	.	H	α-helix	trans	-65.7	-39.5	180	-175.3	62.4	0	0	0	112.4	G836 G837 S843 Y844 I859 F879 L880 L883 I885 P931 F1166	G836-L840 WeakPolarHBondContact O-CB 3.5Å; G836-L840 PolarHBondContact O-N 3.24Å; G836-L840 VanDerWaalsContact O-N 3.11Å; G837-L840 PolarHBondContact O-N 3.48Å; L840-S843 PolarHBondContact O-OG 3.29Å; L840-Y844 WeakPolarHBondContact O-CB 3.4Å; L840-Y844 PolarHBondContact O-N 3.18Å; L840-I859 HydrophobicContact CD1-CD1 3.63Å; L840-F879 HydrophobicContact CD2-CE1 4.02Å; L840-L880 HydrophobicContact CD1-CD2 3.88Å; L840-L880 HydrophobicContact CD2-CD2 3.78Å; L840-L880 HydrophobicContact CG-CD2 4.48Å; L840-L883 HydrophobicContact CD2-CD1 4.49Å; L840-I885 HydrophobicContact CD1-CD1 4.26Å; L840-I885 HydrophobicContact CD2-CD1 4.11Å; L840-I885 HydrophobicContact CG-CD1 4.16Å; L840-P931 HydrophobicContact CD2-CG 4.49Å; L840-F1166 HydrophobicContact CB-CE1 4.31Å; L840-F1166 HydrophobicContact CB-CZ 4.49Å; L840-F1166 HydrophobicContact CD2-CE1 4.02Å; L840-F1166 HydrophobicContact CD2-CZ 3.76Å; L840-F1166 HydrophobicContact CG-CE1 3.89Å; L840-F1166 HydrophobicContact CG-CZ 4.13Å
841	L	87.8	Confident	85.4	Confident	1 Å²	1	24 Å²	24	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-66.5	-41.7	177.5	179.9	64.7	0	0	0	111.5	W669 G837 L838 Y844 L845 I1163 F1166	W669-L841 HydrophobicContact CE3-CD2 3.89Å; W669-L841 HydrophobicContact CZ3-CD2 4.11Å; W669-L841 WeakPolarHBondContact O-CD2 3.31Å; G837-L841 WeakPolarHBondContact O-CB 3.22Å; G837-L841 PolarHBondContact O-N 3.27Å; L838-L841 PolarHBondContact O-N 3.46Å; L841-Y844 PolarHBondContact O-N 3.13Å; L841-L845 HydrophobicContact CD1-CD1 4.16Å; L841-L845 HydrophobicContact CD1-CG 4.12Å; L841-L845 HydrophobicContact CG-CD1 4.03Å; L841-L845 HydrophobicContact CG-CG 4.39Å; L841-L845 WeakPolarHBondContact O-CB 3.18Å; L841-L845 VanDerWaalsContact O-CG 3.25Å; L841-L845 WeakPolarHBondContact O-CG 3.39Å; L841-L845 PolarHBondContact O-N 3.47Å; L841-I1163 HydrophobicContact CB-CD1 3.87Å; L841-I1163 HydrophobicContact CD2-CD1 3.74Å; L841-I1163 HydrophobicContact CD2-CG1 4.2Å; L841-I1163 HydrophobicContact CG-CD1 4.42Å; L841-F1166 HydrophobicContact CB-CE1 4.04Å; L841-F1166 HydrophobicContact CD1-CD1 4.04Å; L841-F1166 HydrophobicContact CD1-CE1 4.26Å
842	T	88.8	Confident	85.5	Confident	2 Å²	2	23.2 Å²	23.2	1%	0.012	10%	0.102	C	C	.	.	H	α-helix	trans	-64.3	-44.4	-179.8	-56.4	0	0	0	0	111	L697 L807 L838 L839 L846 L1153	L697-T842 HydrophobicContact CD1-CG2 3.98Å; L807-T842 HydrophobicContact CD2-CG2 4.28Å; L838-T842 WeakPolarHBondContact O-CB 3.46Å; L838-T842 PolarHBondContact O-N 3.05Å; L838-T842 PolarHBondContact O-OG1 2.97Å; L839-T842 PolarHBondContact O-N 2.98Å; T842-L846 WeakPolarHBondContact O-CB 3.44Å; T842-L846 PolarHBondContact O-N 3.34Å; T842-L846 VanDerWaalsContact O-N 3.17Å; T842-L1153 HydrophobicContact CG2-CD2 3.62Å
843	S	90.2	Very high	85.7	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-65.2	-44.3	175.9	68	0	0	0	0	112	V829 L839 L840 L845 L846 M847	V829-S843 VanDerWaalsContact CG2-CB 3.48Å; L839-S843 PolarHBondContact O-N 2.86Å; L839-S843 VanDerWaalsContact O-N 3.11Å; L839-S843 PolarHBondContact O-OG 3.21Å; L840-S843 PolarHBondContact O-OG 3.29Å; S843-L845 PolarHBondContact O-N 3.14Å; S843-L846 PolarHBondContact O-N 3.48Å; S843-M847 WeakPolarHBondContact O-CG 3.3Å; S843-M847 PolarHBondContact O-N 3.2Å
844	Y	88.3	Confident	86.3	Confident	36 Å²	36	36 Å²	36	14%	0.141	15%	0.152	C	C	.	.	H	α-helix	trans	-60.7	-45.3	178.9	178.9	-99.6	0	0	0	112.8	L840 L841 L846 M847 R848 I885 F1166	L840-Y844 WeakPolarHBondContact O-CB 3.4Å; L840-Y844 PolarHBondContact O-N 3.18Å; L841-Y844 PolarHBondContact O-N 3.13Å; Y844-L846 VanDerWaalsContact C-N 3.34Å; Y844-M847 PolarHBondContact O-N 2.84Å; Y844-R848 PolarHBondContact O-N 2.79Å; Y844-R848 PolarHBondContact OH-NE 2.87Å; Y844-R848 VanDerWaalsContact OH-NE 3.1Å; Y844-R848 PolarHBondContact OH-NH2 3.3Å; Y844-I885 HydrophobicContact CD2-CD1 4.04Å; Y844-I885 HydrophobicContact CD2-CG1 3.88Å; Y844-I885 HydrophobicContact CD2-CG2 4.48Å; Y844-I885 HydrophobicContact CE2-CD1 4.48Å; Y844-I885 HydrophobicContact CE2-CG1 3.98Å; Y844-F1166 HydrophobicContact CD1-CD1 4.4Å; Y844-F1166 HydrophobicContact CE1-CB 4.29Å; Y844-F1166 HydrophobicContact CG-CD1 4.47Å; Y844-F1166 PolarHBondContact OH-O 3.32Å
845	L	88.8	Confident	87	Confident	29 Å²	29	35.4 Å²	35.4	15%	0.152	15%	0.15	C	C	.	.	H	α-helix	trans	-63.5	-41.3	177.5	-72.4	175.6	0	0	0	111.5	P671 L697 L841 S843 R848	P671-L845 HydrophobicContact CG-CD1 3.74Å; L697-L845 HydrophobicContact CD1-CB 3.93Å; L841-L845 HydrophobicContact CD1-CD1 4.16Å; L841-L845 HydrophobicContact CD1-CG 4.12Å; L841-L845 HydrophobicContact CG-CD1 4.03Å; L841-L845 HydrophobicContact CG-CG 4.39Å; L841-L845 WeakPolarHBondContact O-CB 3.18Å; L841-L845 VanDerWaalsContact O-CG 3.25Å; L841-L845 WeakPolarHBondContact O-CG 3.39Å; L841-L845 PolarHBondContact O-N 3.47Å; S843-L845 PolarHBondContact O-N 3.14Å; L845-R848 PolarHBondContact O-N 2.84Å
846	L	89.3	Confident	87.6	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-65.3	-43.6	179.5	-167.5	71.2	0	0	0	112.2	L693 Q696 L697 T842 S843 Y844 R848 N849 W852 L1120	L693-L846 HydrophobicContact CD1-CD1 4.07Å; Q696-L846 HydrophobicContact CB-CD1 3.85Å; L697-L846 HydrophobicContact CD1-CB 4.46Å; T842-L846 WeakPolarHBondContact O-CB 3.44Å; T842-L846 PolarHBondContact O-N 3.34Å; T842-L846 VanDerWaalsContact O-N 3.17Å; S843-L846 PolarHBondContact O-N 3.48Å; Y844-L846 VanDerWaalsContact C-N 3.34Å; L846-R848 PolarHBondContact O-N 3.27Å; L846-N849 VanDerWaalsContact O-CB 3.27Å; L846-N849 WeakPolarHBondContact O-CB 3.32Å; L846-N849 PolarHBondContact O-N 3.15Å; L846-W852 HydrophobicContact CD2-CD2 4.02Å; L846-W852 HydrophobicContact CD2-CG 4.22Å; L846-W852 HydrophobicContact CD2-CZ2 4.29Å; L846-W852 HydrophobicContact CG-CD2 4.19Å; L846-W852 HydrophobicContact CG-CG 3.87Å; L846-W852 WeakPolarHBondContact O-CB 2.94Å; L846-L1120 HydrophobicContact CD2-CD2 3.2Å
847	M	88.5	Confident	88.4	Confident	37 Å²	37	38.2 Å²	38.2	18%	0.182	16%	0.16	C	C	.	.	H	α-helix	trans	-62.9	-22.9	179.7	-74.5	-176.4	82.4	0	0	114.4	S843 Y844 N849 R853 C855 L857	S843-M847 WeakPolarHBondContact O-CG 3.3Å; S843-M847 PolarHBondContact O-N 3.2Å; Y844-M847 PolarHBondContact O-N 2.84Å; M847-N849 PolarHBondContact O-N 3.44Å; M847-R853 VanDerWaalsContact O-CA 3.26Å; M847-R853 WeakPolarHBondContact O-CA 3.23Å; M847-R853 PolarHBondContact O-N 3.44Å; M847-C855 WeakPolarHBondContact CE-O 3.24Å; M847-L857 HydrophobicContact CE-CB 3.84Å; M847-L857 HydrophobicContact SD-CB 3.54Å; M847-L857 VanDerWaalsContact SD-CB 3.54Å; M847-L857 HydrophobicContact SD-CD1 3.94Å; M847-L857 HydrophobicContact SD-CD2 3.74Å; M847-L857 HydrophobicContact SD-CG 3.93Å
848	R	86.4	Confident	89	Confident	105 Å²	105	40.7 Å²	40.7	40%	0.396	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-21.6	175	-76.3	169.5	154.8	-94.2	7.3	112.5	Y844 L845 L846 E1168	Y844-R848 PolarHBondContact O-N 2.79Å; Y844-R848 PolarHBondContact OH-NE 2.87Å; Y844-R848 VanDerWaalsContact OH-NE 3.1Å; Y844-R848 PolarHBondContact OH-NH2 3.3Å; L845-R848 PolarHBondContact O-N 2.84Å; L846-R848 PolarHBondContact O-N 3.27Å; R848-E1168 IonicContact CZ-OE1 2.66Å; R848-E1168 VanDerWaalsContact NH1-CD 3.27Å; R848-E1168 IonicContact NH1-OE1 3.14Å; R848-E1168 PolarHBondContact NH1-OE1 3.11Å; R848-E1168 IonicContact NH2-OE1 3.3Å
849	N	87.2	Confident	89.3	Confident	15 Å²	15	41 Å²	41	8%	0.08	17%	0.17	C	C	.	.	S	Bend	trans	-68.8	147.4	177.3	-162.7	-74	0	0	0	111.7	Q696 L846 M847 V851 W852 R853	Q696-N849 VanDerWaalsContact CA-ND2 3.35Å; Q696-N849 WeakPolarHBondContact CA-ND2 3.35Å; Q696-N849 HydrophobicContact CB-CB 4.49Å; Q696-N849 WeakPolarHBondContact O-CB 3.4Å; Q696-N849 PolarHBondContact O-ND2 2.89Å; L846-N849 VanDerWaalsContact O-CB 3.27Å; L846-N849 WeakPolarHBondContact O-CB 3.32Å; L846-N849 PolarHBondContact O-N 3.15Å; M847-N849 PolarHBondContact O-N 3.44Å; N849-V851 PolarHBondContact O-N 3.03Å; N849-V851 VanDerWaalsContact O-N 3.08Å; N849-V851 PolarHBondContact OD1-N 3.01Å; N849-V851 VanDerWaalsContact OD1-N 3.16Å; N849-W852 PolarHBondContact O-N 2.67Å; N849-W852 VanDerWaalsContact O-N 3.14Å; N849-R853 WeakPolarHBondContact O-CB 3.46Å; N849-R853 PolarHBondContact O-N 3.49Å
850	R	87.5	Confident	89.5	Confident	180 Å²	180	41 Å²	41	68%	0.679	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-33.6	177.8	-179.4	179.6	173.8	177.3	-2.5	113.5	Q822	Q822-R850 PolarHBondContact NE2-O 3.47Å
851	V	89.1	Confident	89.5	Confident	4 Å²	4	40.8 Å²	40.8	2%	0.024	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-43.5	-178.3	178.7	0	0	0	0	111.5	Q696 P816 M823 N849	Q696-V851 HydrophobicContact CG-CG2 4.39Å; P816-V851 HydrophobicContact CB-CG1 3.85Å; P816-V851 HydrophobicContact CG-CG1 3.63Å; M823-V851 HydrophobicContact CG-CG1 4.15Å; M823-V851 PolarHBondContact N-O 3.39Å; N849-V851 PolarHBondContact O-N 3.03Å; N849-V851 VanDerWaalsContact O-N 3.08Å; N849-V851 PolarHBondContact OD1-N 3.01Å; N849-V851 VanDerWaalsContact OD1-N 3.16Å
852	W	90.3	Very high	89.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-4	-172.1	-57.9	95.1	0	0	0	114.2	P816 V827 L846 N849 K854 C855 D1119 L1120	P816-W852 HydrophobicContact CG-CH2 4.26Å; P816-W852 HydrophobicContact CG-CZ2 3.6Å; V827-W852 HydrophobicContact CG2-CE3 3.79Å; V827-W852 HydrophobicContact CG2-CZ3 4.13Å; L846-W852 HydrophobicContact CD2-CD2 4.02Å; L846-W852 HydrophobicContact CD2-CG 4.22Å; L846-W852 HydrophobicContact CD2-CZ2 4.29Å; L846-W852 HydrophobicContact CG-CD2 4.19Å; L846-W852 HydrophobicContact CG-CG 3.87Å; L846-W852 WeakPolarHBondContact O-CB 2.94Å; N849-W852 PolarHBondContact O-N 2.67Å; N849-W852 VanDerWaalsContact O-N 3.14Å; W852-K854 PolarHBondContact O-N 2.62Å; W852-C855 WeakPolarHBondContact O-CB 3.43Å; W852-C855 PolarHBondContact O-N 2.93Å; W852-D1119 HydrophobicContact CZ3-CB 4.06Å; W852-L1120 HydrophobicContact CH2-CB 3.81Å; W852-L1120 HydrophobicContact CH2-CD2 4.13Å; W852-L1120 HydrophobicContact CH2-CG 4.44Å; W852-L1120 HydrophobicContact CZ2-CD2 4.44Å; W852-L1120 HydrophobicContact CZ3-CB 3.71Å; W852-L1120 HydrophobicContact CZ3-CD2 4.32Å
853	R	87.3	Confident	89.2	Confident	160 Å²	160	40.6 Å²	40.6	60%	0.604	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-26.4	-175	-169.4	175.2	68.4	-173.5	3.2	115.3	M847 N849	M847-R853 VanDerWaalsContact O-CA 3.26Å; M847-R853 WeakPolarHBondContact O-CA 3.23Å; M847-R853 PolarHBondContact O-N 3.44Å; N849-R853 WeakPolarHBondContact O-CB 3.46Å; N849-R853 PolarHBondContact O-N 3.49Å
854	K	88.5	Confident	88.7	Confident	117 Å²	117	41 Å²	41	51%	0.509	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-3.3	179.6	-75.6	-175.5	173.8	173.3	0	113.3	Q822 I824 W852	Q822-K854 HydrophobicContact CB-CD 4.37Å; Q822-K854 VanDerWaalsContact OE1-NZ 3.15Å; I824-K854 HydrophobicContact CD1-CD 4.41Å; I824-K854 HydrophobicContact CG1-CB 4.31Å; I824-K854 HydrophobicContact CG1-CD 4.17Å; W852-K854 PolarHBondContact O-N 2.62Å
855	C	90.5	Very high	88.2	Confident	8 Å²	8	45.9 Å²	45.9	5%	0.054	20%	0.195	C	C	.	.	S	Bend	trans	-77	151.7	177.4	-58.8	0	0	0	0	110.8	G825 V827 M847 W852	G825-C855 CarbonylContact O-C 3.49Å; G825-C855 WeakPolarHBondContact O-CA 3.18Å; G825-C855 WeakPolarHBondContact O-CB 3.34Å; V827-C855 HydrophobicContact CG2-CB 3.86Å; M847-C855 WeakPolarHBondContact CE-O 3.24Å; W852-C855 WeakPolarHBondContact O-CB 3.43Å; W852-C855 PolarHBondContact O-N 2.93Å
856	H	91.5	Very high	87.6	Confident	91 Å²	91	49.7 Å²	49.7	42%	0.421	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	133.2	175	-175.9	-85.4	0	0	0	110.5	G825 N826 V827	G825-H856 PolarHBondContact O-N 3.46Å; N826-H856 WeakPolarHBondContact CA-O 3.46Å; V827-H856 PolarHBondContact N-O 2.74Å
857	L	92.6	Very high	86.9	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	123.7	-179.8	-168.9	53.7	0	0	0	110.8	V827 V829 M847 I859 I885 A887 S888	V827-L857 HydrophobicContact CB-CD1 4.23Å; V827-L857 HydrophobicContact CG1-CD1 4.08Å; V829-L857 HydrophobicContact CG2-CD1 3.71Å; M847-L857 HydrophobicContact CE-CB 3.84Å; M847-L857 HydrophobicContact SD-CB 3.54Å; M847-L857 VanDerWaalsContact SD-CB 3.54Å; M847-L857 HydrophobicContact SD-CD1 3.94Å; M847-L857 HydrophobicContact SD-CD2 3.74Å; M847-L857 HydrophobicContact SD-CG 3.93Å; L857-I859 HydrophobicContact CD2-CD1 4.42Å; L857-I859 HydrophobicContact CG-CG1 4.27Å; L857-I885 HydrophobicContact CD2-CG2 3.95Å; L857-A887 HydrophobicContact CB-CB 3.76Å; L857-A887 HydrophobicContact CD2-CB 3.84Å; L857-A887 HydrophobicContact CG-CB 3.77Å; L857-A887 VanDerWaalsContact O-CA 3.29Å; L857-A887 WeakPolarHBondContact O-CA 3.27Å; L857-S888 PolarHBondContact O-N 3.1Å
858	R	93.7	Very high	86.6	Confident	55 Å²	55	51.5 Å²	51.5	21%	0.208	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	129	172.2	-51	-168.4	-66.2	174.5	1.9	109.4	V827 D828 V829 F860 S888 H1114	V827-R858 PolarHBondContact O-N 2.9Å; D828-R858 CarbonylContact C-O 3.6Å; D828-R858 WeakPolarHBondContact CA-O 3.41Å; D828-R858 VanDerWaalsContact CG-NH2 3.3Å; D828-R858 IonicContact OD1-CZ 2.81Å; D828-R858 IonicContact OD1-NE 3.52Å; D828-R858 PolarHBondContact OD1-NE 3.17Å; D828-R858 IonicContact OD1-NH2 2.72Å; D828-R858 PolarHBondContact OD1-NH2 3.13Å; D828-R858 VanDerWaalsContact OD1-NH2 3.14Å; D828-R858 IonicContact OD2-CZ 3.19Å; D828-R858 IonicContact OD2-NE 2.83Å; D828-R858 IonicContact OD2-NH2 3.91Å; D828-R858 PolarHBondContact OD2-NH2 3.22Å; V829-R858 PolarHBondContact N-O 3.41Å; R858-F860 HydrophobicContact CB-CE2 3.82Å; R858-F860 HydrophobicContact CB-CZ 4.27Å; R858-S888 WeakPolarHBondContact CG-OG 3.35Å; R858-H1114 PolarHBondContact NH2-O 3.22Å
859	I	92.2	Very high	86.5	Confident	10 Å²	10	49.5 Å²	49.5	5%	0.051	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	119.1	-177.8	-60.7	165.6	0	0	0	108.2	V829 L840 L857 V861 L880 A887 S888 V889 E890	V829-I859 HydrophobicContact CB-CG1 4.39Å; V829-I859 WeakPolarHBondContact O-CA 3.29Å; L840-I859 HydrophobicContact CD1-CD1 3.63Å; L857-I859 HydrophobicContact CD2-CD1 4.42Å; L857-I859 HydrophobicContact CG-CG1 4.27Å; I859-V861 HydrophobicContact CG2-CG2 4.14Å; I859-L880 HydrophobicContact CD1-CD1 3.57Å; I859-L880 HydrophobicContact CD1-CD2 3.85Å; I859-L880 HydrophobicContact CD1-CG 4.37Å; I859-A887 HydrophobicContact CD1-CB 3.67Å; I859-A887 HydrophobicContact CG1-CB 4.21Å; I859-S888 PolarHBondContact N-O 3.27Å; I859-V889 WeakPolarHBondContact O-CA 3.45Å; I859-E890 PolarHBondContact O-N 3.31Å
860	F	92.5	Very high	86.3	Confident	1 Å²	1	54 Å²	54	0%	0.004	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	114.6	176.6	-61.7	-87.9	0	0	0	108.9	D828 V829 W830 C831 R858 E890 V892 H1114	D828-F860 HydrophobicContact CB-CD2 4.34Å; D828-F860 HydrophobicContact CB-CE2 3.97Å; V829-F860 PolarHBondContact O-N 3.08Å; W830-F860 HydrophobicContact CD2-CB 3.69Å; W830-F860 HydrophobicContact CD2-CD2 4.33Å; W830-F860 HydrophobicContact CD2-CG 4.14Å; W830-F860 AromaticContact CE2-CD2 3.82Å; W830-F860 AromaticContact CE2-CG 3.83Å; W830-F860 HydrophobicContact CE3-CB 3.74Å; W830-F860 HydrophobicContact CE3-CG 4.45Å; W830-F860 HydrophobicContact CG-CB 4.21Å; W830-F860 HydrophobicContact CH2-CB 4.27Å; W830-F860 HydrophobicContact CH2-CD1 4.23Å; W830-F860 HydrophobicContact CH2-CG 4.24Å; W830-F860 HydrophobicContact CZ2-CB 4.23Å; W830-F860 HydrophobicContact CZ2-CD1 4.11Å; W830-F860 HydrophobicContact CZ2-CD2 4.16Å; W830-F860 AromaticContact CZ2-CG 3.9Å; W830-F860 HydrophobicContact CZ2-CG 3.9Å; W830-F860 HydrophobicContact CZ3-CB 4.03Å; W830-F860 HydrophobicContact CZ3-CG 4.49Å; W830-F860 AromaticContact NE1-CD2 3.72Å; C831-F860 PolarHBondContact N-O 3.44Å; R858-F860 HydrophobicContact CB-CE2 3.82Å; R858-F860 HydrophobicContact CB-CZ 4.27Å; F860-E890 CarbonylContact C-O 3.58Å; F860-E890 VanDerWaalsContact CA-O 3.31Å; F860-E890 WeakPolarHBondContact CA-O 3.49Å; F860-E890 HydrophobicContact CD1-CB 3.87Å; F860-E890 HydrophobicContact CD1-CG 4.3Å; F860-E890 HydrophobicContact CE1-CB 4.03Å; F860-E890 HydrophobicContact CE1-CG 4.35Å; F860-E890 WeakPolarHBondContact CE1-OE2 2.96Å; F860-V892 HydrophobicContact CD1-CG2 4.33Å; F860-H1114 HydrophobicContact CE1-CB 4Å; F860-H1114 AromaticContact CE1-ND1 3.92Å; F860-H1114 HydrophobicContact CZ-CB 4.1Å
861	V	89.2	Confident	86.2	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.018	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	118	177.1	-177.3	0	0	0	0	108.5	I859 L872 M876 V889 E890 V891 V892	I859-V861 HydrophobicContact CG2-CG2 4.14Å; V861-L872 HydrophobicContact CG1-CD2 4.05Å; V861-M876 HydrophobicContact CG2-CG 4.45Å; V861-V889 HydrophobicContact CG2-CG1 4.44Å; V861-E890 PolarHBondContact N-O 3.3Å; V861-V891 HydrophobicContact CB-CG2 4.38Å; V861-V891 CarbonylContact O-C 3.43Å; V861-V891 WeakPolarHBondContact O-CA 3.31Å; V861-V892 PolarHBondContact O-N 2.83Å
862	V	87	Confident	85.9	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	117.3	177.4	-172.5	0	0	0	0	109.3	W830 C831 I832 V892 M894 I899 R939	W830-V862 HydrophobicContact CE3-CG2 3.99Å; W830-V862 HydrophobicContact CZ3-CG2 4.23Å; C831-V862 PolarHBondContact O-N 3Å; C831-V862 VanDerWaalsContact O-N 3.11Å; I832-V862 HydrophobicContact CG1-CG2 3.91Å; I832-V862 HydrophobicContact CG2-CB 4.43Å; V862-V892 WeakPolarHBondContact CA-O 3.37Å; V862-M894 HydrophobicContact CG1-CB 4.45Å; V862-M894 HydrophobicContact CG1-CG 4.03Å; V862-M894 HydrophobicContact CG1-SD 3.73Å; V862-I899 HydrophobicContact CG1-CD1 3.53Å; V862-I899 HydrophobicContact CG1-CG1 4.21Å; V862-R939 PolarHBondContact O-NH2 3.48Å
863	A	82.3	Confident	85.8	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	153.3	179.3	0	0	0	0	0	110.2	D867 L872 V891 V892 A893 M894	A863-D867 HydrophobicContact CB-CB 4.1Å; A863-L872 HydrophobicContact CB-CD2 3.97Å; A863-V891 HydrophobicContact CB-CG1 3.81Å; A863-V892 PolarHBondContact N-O 3.48Å; A863-A893 WeakPolarHBondContact O-CA 3.41Å; A863-M894 PolarHBondContact O-N 2.66Å
864	T	80.7	Confident	85.8	Confident	9 Å²	9	52.4 Å²	52.4	6%	0.055	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	152.6	169.8	41.5	0	0	0	0	109.8	E866 D867 M894 I899	T864-E866 PolarHBondContact O-N 3.23Å; T864-D867 PolarHBondContact N-OD2 3.36Å; T864-D867 WeakPolarHBondContact O-CB 3.33Å; T864-D867 PolarHBondContact O-N 2.91Å; T864-D867 PolarHBondContact OG1-OD1 3.45Å; T864-D867 PolarHBondContact OG1-OD2 2.98Å; T864-D867 VanDerWaalsContact OG1-OD2 3.05Å; T864-M894 WeakPolarHBondContact CA-O 3.18Å; T864-I899 HydrophobicContact CG2-CD1 4.24Å
865	E	77.5	Confident	85.6	Confident	138 Å²	138	49.2 Å²	49.2	65%	0.645	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-19.4	176	-69.9	174.3	-174.9	0	0	113.6	A893 M894	E865-A893 HydrophobicContact CG-CB 4.37Å; E865-M894 PolarHBondContact N-O 3.18Å
866	E	74.9	Confident	85.3	Confident	109 Å²	109	49.4 Å²	49.4	51%	0.509	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-14.4	176.6	-60.6	175.1	-165.7	0	0	114.2	T864	T864-E866 PolarHBondContact O-N 3.23Å
867	D	75.5	Confident	85.1	Confident	11 Å²	11	48.3 Å²	48.3	6%	0.059	24%	0.24	C	C	.	.	S	Bend	trans	-81.5	154.5	-176.3	-66.2	-25.5	0	0	0	111.9	A863 T864 I869 R939	A863-D867 HydrophobicContact CB-CB 4.1Å; T864-D867 PolarHBondContact N-OD2 3.36Å; T864-D867 WeakPolarHBondContact O-CB 3.33Å; T864-D867 PolarHBondContact O-N 2.91Å; T864-D867 PolarHBondContact OG1-OD1 3.45Å; T864-D867 PolarHBondContact OG1-OD2 2.98Å; T864-D867 VanDerWaalsContact OG1-OD2 3.05Å; D867-I869 PolarHBondContact O-N 3.18Å; D867-R939 WeakPolarHBondContact OD1-CA 3.47Å; D867-R939 WeakPolarHBondContact OD1-CB 3.33Å; D867-R939 VanDerWaalsContact OD1-CG 3.32Å; D867-R939 WeakPolarHBondContact OD1-CG 3.27Å; D867-R939 WeakPolarHBondContact OD2-CD 3.04Å; D867-R939 WeakPolarHBondContact OD2-CG 3.46Å; D867-R939 IonicContact OD2-NE 3.42Å; D867-R939 PolarHBondContact OD2-NE 3.22Å; D867-R939 VanDerWaalsContact OD2-NE 3.14Å
868	D	82.2	Confident	84.8	Confident	66 Å²	66	54.3 Å²	54.3	35%	0.353	27%	0.267	S	S	.	.			trans	-79.2	86.3	173.7	-170.1	-20.7	0	0	0	111.1	V870 N871 L872	D868-V870 PolarHBondContact O-N 2.92Å; D868-V870 PolarHBondContact OD1-N 3.47Å; D868-N871 HydrophobicContact CB-CB 4.43Å; D868-N871 PolarHBondContact O-N 3.31Å; D868-N871 PolarHBondContact OD1-N 3.05Å; D868-N871 VanDerWaalsContact OD1-N 3.11Å; D868-N871 PolarHBondContact OD2-ND2 3.06Å; D868-L872 WeakPolarHBondContact O-CB 3.41Å; D868-L872 PolarHBondContact O-N 3.28Å
869	I	83.6	Confident	84.2	Confident	62 Å²	62	52.2 Å²	52.2	32%	0.318	26%	0.259	S	S	.	.	H	α-helix	trans	-55.8	-39	-177.1	-58.5	165.6	0	0	0	111.7	D867 K873 V891 A893	D867-I869 PolarHBondContact O-N 3.18Å; I869-K873 WeakPolarHBondContact O-CB 3.4Å; I869-K873 PolarHBondContact O-N 2.75Å; I869-V891 HydrophobicContact CG2-CB 3.96Å; I869-V891 HydrophobicContact CG2-CG1 3.82Å; I869-A893 HydrophobicContact CD1-CB 3.69Å; I869-A893 HydrophobicContact CG1-CB 4.49Å
870	V	84.6	Confident	83.8	Confident	111 Å²	111	52 Å²	52	67%	0.673	26%	0.258	S	S	*	.	H	α-helix	trans	-72	-49	-173.1	179.8	0	0	0	0	110.5	D868 K873 K874	D868-V870 PolarHBondContact O-N 2.92Å; D868-V870 PolarHBondContact OD1-N 3.47Å; V870-K873 PolarHBondContact O-N 3.08Å; V870-K874 PolarHBondContact O-N 3.35Å; V870-K874 VanDerWaalsContact O-N 3.11Å
871	N	83.8	Confident	83.4	Confident	67 Å²	67	60.7 Å²	60.7	36%	0.358	29%	0.292	S	S	.	.	H	α-helix	trans	-69.3	-38.2	178	-75.9	-34.6	0	0	0	111.5	D868 K873 K874 D875	D868-N871 HydrophobicContact CB-CB 4.43Å; D868-N871 PolarHBondContact O-N 3.31Å; D868-N871 PolarHBondContact OD1-N 3.05Å; D868-N871 VanDerWaalsContact OD1-N 3.11Å; D868-N871 PolarHBondContact OD2-ND2 3.06Å; N871-K873 VanDerWaalsContact C-N 3.34Å; N871-K873 PolarHBondContact O-N 2.71Å; N871-K874 PolarHBondContact O-N 3.13Å; N871-D875 WeakPolarHBondContact O-CB 3.47Å; N871-D875 PolarHBondContact O-N 3.35Å
872	L	83.2	Confident	82.9	Confident	1 Å²	1	65.5 Å²	65.5	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-58.6	-45.2	175.2	-179.1	60.8	0	0	0	111.8	V861 A863 D868 M876 V891 V935 H938	V861-L872 HydrophobicContact CG1-CD2 4.05Å; A863-L872 HydrophobicContact CB-CD2 3.97Å; D868-L872 WeakPolarHBondContact O-CB 3.41Å; D868-L872 PolarHBondContact O-N 3.28Å; L872-M876 HydrophobicContact CD1-CG 4.1Å; L872-M876 VanDerWaalsContact O-CB 3.27Å; L872-M876 WeakPolarHBondContact O-CB 3.45Å; L872-M876 VanDerWaalsContact O-CG 3.22Å; L872-M876 WeakPolarHBondContact O-CG 3.28Å; L872-M876 PolarHBondContact O-N 2.85Å; L872-V891 HydrophobicContact CD2-CG1 3.99Å; L872-V891 HydrophobicContact CG-CG2 4.46Å; L872-V935 HydrophobicContact CD1-CG2 4.33Å; L872-H938 HydrophobicContact CB-CB 4.44Å; L872-H938 HydrophobicContact CD1-CB 4.34Å
873	K	88.4	Confident	82.4	Confident	102 Å²	102	67 Å²	67	44%	0.443	33%	0.325	S	S	.	.	H	α-helix	trans	-62.2	-44.9	176.3	-175	174.4	-179.2	172.3	0	111.8	I869 V870 N871 T877 V889 V891	I869-K873 WeakPolarHBondContact O-CB 3.4Å; I869-K873 PolarHBondContact O-N 2.75Å; V870-K873 PolarHBondContact O-N 3.08Å; N871-K873 VanDerWaalsContact C-N 3.34Å; N871-K873 PolarHBondContact O-N 2.71Å; K873-T877 WeakPolarHBondContact O-CB 3.38Å; K873-T877 PolarHBondContact O-N 3.34Å; K873-T877 PolarHBondContact O-OG1 2.89Å; K873-V889 WeakPolarHBondContact CE-O 3.39Å; K873-V891 HydrophobicContact CB-CG2 3.72Å; K873-V891 HydrophobicContact CG-CG2 4.27Å
874	K	87.8	Confident	82.5	Confident	140 Å²	140	77.3 Å²	77.3	61%	0.609	36%	0.364	S	S	*	.	H	α-helix	trans	-62.8	-46.5	-179.8	-176.3	-178.7	177.6	-177	0	111.5	V870 N871 T877 K878	V870-K874 PolarHBondContact O-N 3.35Å; V870-K874 VanDerWaalsContact O-N 3.11Å; N871-K874 PolarHBondContact O-N 3.13Å; K874-T877 PolarHBondContact O-N 2.91Å; K874-K878 WeakPolarHBondContact O-CB 3.26Å; K874-K878 PolarHBondContact O-N 3.48Å
875	D	83.7	Confident	82.6	Confident	49 Å²	49	77.4 Å²	77.4	26%	0.262	36%	0.364	S	S	.	.	H	α-helix	trans	-73.2	-37	-176.8	-79.8	9.3	0	0	0	112	N871 K878 F879 I934 H938	N871-D875 WeakPolarHBondContact O-CB 3.47Å; N871-D875 PolarHBondContact O-N 3.35Å; D875-K878 PolarHBondContact O-N 2.76Å; D875-F879 WeakPolarHBondContact O-CB 3.44Å; D875-F879 PolarHBondContact O-N 3.12Å; D875-I934 HydrophobicContact CB-CG2 3.79Å; D875-H938 IonicContact OD2-CE1 3.28Å; D875-H938 PolarHBondContact OD2-CE1 3.11Å; D875-H938 IonicContact OD2-NE2 2.68Å; D875-H938 PolarHBondContact OD2-NE2 3.48Å; D875-H938 VanDerWaalsContact OD2-NE2 3.15Å
876	M	84.5	Confident	83	Confident	12 Å²	12	78 Å²	78	6%	0.059	37%	0.372	C	S	.	.	H	α-helix	trans	-62.5	-41.2	169.4	-75.7	-70.4	104.8	0	0	112.4	V861 L872 F879 L880 V889 I934 V935	V861-M876 HydrophobicContact CG2-CG 4.45Å; L872-M876 HydrophobicContact CD1-CG 4.1Å; L872-M876 VanDerWaalsContact O-CB 3.27Å; L872-M876 WeakPolarHBondContact O-CB 3.45Å; L872-M876 VanDerWaalsContact O-CG 3.22Å; L872-M876 WeakPolarHBondContact O-CG 3.28Å; L872-M876 PolarHBondContact O-N 2.85Å; M876-F879 WeakPolarHBondContact O-CB 3.42Å; M876-F879 PolarHBondContact O-N 3.48Å; M876-L880 WeakPolarHBondContact O-CG 3.43Å; M876-L880 PolarHBondContact O-N 3.34Å; M876-V889 HydrophobicContact CB-CG1 3.93Å; M876-V889 HydrophobicContact CB-CG2 4.41Å; M876-I934 HydrophobicContact CE-CB 3.35Å; M876-I934 HydrophobicContact CE-CD1 4.08Å; M876-I934 HydrophobicContact CE-CG1 4.3Å; M876-I934 HydrophobicContact CE-CG2 3.27Å; M876-V935 HydrophobicContact CE-CG2 4.04Å; M876-V935 HydrophobicContact SD-CG2 4.14Å
877	T	88.3	Confident	83.6	Confident	68 Å²	68	74 Å²	74	42%	0.417	36%	0.357	S	S	.	.	H	α-helix	trans	-65.7	-44.9	177.6	-56.5	0	0	0	0	111	K873 K874 F879 L880 Y881	K873-T877 WeakPolarHBondContact O-CB 3.38Å; K873-T877 PolarHBondContact O-N 3.34Å; K873-T877 PolarHBondContact O-OG1 2.89Å; K874-T877 PolarHBondContact O-N 2.91Å; T877-F879 VanDerWaalsContact C-N 3.33Å; T877-F879 PolarHBondContact O-N 3.25Å; T877-L880 PolarHBondContact O-N 3.06Å; T877-Y881 WeakPolarHBondContact O-CB 3.45Å; T877-Y881 PolarHBondContact O-N 3.32Å
878	K	84.7	Confident	84.4	Confident	127 Å²	127	75.8 Å²	75.8	55%	0.552	37%	0.371	S	S	*	.	H	α-helix	trans	-61.4	-43.4	175.4	-177.1	-178.8	176.2	-175.5	0	111.4	K874 D875 L880 Y881 D882	K874-K878 WeakPolarHBondContact O-CB 3.26Å; K874-K878 PolarHBondContact O-N 3.48Å; D875-K878 PolarHBondContact O-N 2.76Å; K878-L880 PolarHBondContact O-N 3.23Å; K878-Y881 WeakPolarHBondContact O-CB 3.1Å; K878-Y881 PolarHBondContact O-N 3.37Å; K878-D882 PolarHBondContact O-N 2.95Å
879	F	80.8	Confident	84.8	Confident	10 Å²	10	73.4 Å²	73.4	4%	0.044	36%	0.359	C	S	.	.	H	α-helix	trans	-57.8	-48	177.3	175.5	-103.2	0	0	0	112.5	L840 D875 M876 T877 Y881 D882 L883 C929 P931 I934	L840-F879 HydrophobicContact CD2-CE1 4.02Å; D875-F879 WeakPolarHBondContact O-CB 3.44Å; D875-F879 PolarHBondContact O-N 3.12Å; M876-F879 WeakPolarHBondContact O-CB 3.42Å; M876-F879 PolarHBondContact O-N 3.48Å; T877-F879 VanDerWaalsContact C-N 3.33Å; T877-F879 PolarHBondContact O-N 3.25Å; F879-Y881 VanDerWaalsContact C-N 3.32Å; F879-Y881 PolarHBondContact O-N 3.14Å; F879-D882 PolarHBondContact O-N 2.94Å; F879-L883 HydrophobicContact CD1-CD1 4.02Å; F879-L883 HydrophobicContact CE1-CD1 3.3Å; F879-L883 HydrophobicContact CE1-CG 4.35Å; F879-L883 HydrophobicContact CE2-CD1 3.99Å; F879-L883 HydrophobicContact CE2-CG 4.4Å; F879-L883 HydrophobicContact CZ-CD1 3.3Å; F879-L883 HydrophobicContact CZ-CG 4.16Å; F879-L883 WeakPolarHBondContact O-CG 3.43Å; F879-L883 PolarHBondContact O-N 3.17Å; F879-C929 VanDerWaalsContact CE2-C 3.42Å; F879-C929 VanDerWaalsContact CE2-O 3.22Å; F879-C929 WeakPolarHBondContact CE2-O 3.32Å; F879-C929 VanDerWaalsContact CZ-O 3.25Å; F879-C929 WeakPolarHBondContact CZ-O 3.2Å; F879-P931 HydrophobicContact CD1-CB 4.22Å; F879-P931 HydrophobicContact CE1-CB 3.51Å; F879-P931 HydrophobicContact CE1-CG 4.03Å; F879-P931 HydrophobicContact CZ-CB 3.81Å; F879-P931 HydrophobicContact CZ-CG 4.07Å; F879-I934 HydrophobicContact CB-CD1 3.66Å; F879-I934 HydrophobicContact CD1-CD1 4.49Å; F879-I934 HydrophobicContact CD2-CD1 3.17Å; F879-I934 HydrophobicContact CE2-CD1 3.88Å; F879-I934 HydrophobicContact CG-CD1 3.53Å
880	L	85	Confident	85.1	Confident	6 Å²	6	74.2 Å²	74.2	3%	0.031	36%	0.361	C	S	.	.	H	α-helix	trans	-66.8	-35	177.5	-67.6	166.4	0	0	0	112.4	L840 I859 M876 T877 K878 L883 R884 I885 A887 V889	L840-L880 HydrophobicContact CD1-CD2 3.88Å; L840-L880 HydrophobicContact CD2-CD2 3.78Å; L840-L880 HydrophobicContact CG-CD2 4.48Å; I859-L880 HydrophobicContact CD1-CD1 3.57Å; I859-L880 HydrophobicContact CD1-CD2 3.85Å; I859-L880 HydrophobicContact CD1-CG 4.37Å; M876-L880 WeakPolarHBondContact O-CG 3.43Å; M876-L880 PolarHBondContact O-N 3.34Å; T877-L880 PolarHBondContact O-N 3.06Å; K878-L880 PolarHBondContact O-N 3.23Å; L880-L883 CarbonylContact O-C 3.56Å; L880-L883 PolarHBondContact O-N 3.48Å; L880-R884 PolarHBondContact O-N 2.8Å; L880-I885 HydrophobicContact CD2-CB 4.07Å; L880-I885 HydrophobicContact CD2-CD1 4.29Å; L880-I885 HydrophobicContact CD2-CG2 4.17Å; L880-I885 PolarHBondContact O-N 3.36Å; L880-A887 HydrophobicContact CD1-CB 4.33Å; L880-V889 HydrophobicContact CD1-CG2 3.2Å
881	Y	84.6	Confident	85.2	Confident	184 Å²	184	69.9 Å²	69.9	72%	0.722	34%	0.335	S	S	*	.	H	α-helix	trans	-61.2	-47.7	172.8	178.2	-93.4	0	0	0	111.6	T877 K878 F879 L883 R884	T877-Y881 WeakPolarHBondContact O-CB 3.45Å; T877-Y881 PolarHBondContact O-N 3.32Å; K878-Y881 WeakPolarHBondContact O-CB 3.1Å; K878-Y881 PolarHBondContact O-N 3.37Å; F879-Y881 VanDerWaalsContact C-N 3.32Å; F879-Y881 PolarHBondContact O-N 3.14Å; Y881-L883 PolarHBondContact O-N 2.95Å; Y881-R884 PolarHBondContact O-N 3.04Å
882	D	78.6	Confident	85.4	Confident	104 Å²	104	67.4 Å²	67.4	56%	0.556	32%	0.322	S	S	*	.	H	α-helix	trans	-62.4	-32.9	178.2	-69	-18.8	0	0	0	111.5	K878 F879 R884	K878-D882 PolarHBondContact O-N 2.95Å; F879-D882 PolarHBondContact O-N 2.94Å; D882-R884 VanDerWaalsContact C-N 3.34Å
883	L	76.1	Confident	85.4	Confident	30 Å²	30	69.3 Å²	69.3	16%	0.157	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-6.5	173.8	-68.3	-178	0	0	0	114.9	L840 F879 L880 Y881 I885 F1166	L840-L883 HydrophobicContact CD2-CD1 4.49Å; F879-L883 HydrophobicContact CD1-CD1 4.02Å; F879-L883 HydrophobicContact CE1-CD1 3.3Å; F879-L883 HydrophobicContact CE1-CG 4.35Å; F879-L883 HydrophobicContact CE2-CD1 3.99Å; F879-L883 HydrophobicContact CE2-CG 4.4Å; F879-L883 HydrophobicContact CZ-CD1 3.3Å; F879-L883 HydrophobicContact CZ-CG 4.16Å; F879-L883 WeakPolarHBondContact O-CG 3.43Å; F879-L883 PolarHBondContact O-N 3.17Å; L880-L883 CarbonylContact O-C 3.56Å; L880-L883 PolarHBondContact O-N 3.48Å; Y881-L883 PolarHBondContact O-N 2.95Å; L883-I885 VanDerWaalsContact C-N 3.26Å; L883-I885 HydrophobicContact CB-CD1 4.05Å; L883-I885 HydrophobicContact CB-CG1 4Å; L883-I885 HydrophobicContact CD1-CD1 4.09Å; L883-I885 PolarHBondContact O-N 3.16Å; L883-F1166 HydrophobicContact CD1-CD2 3.44Å; L883-F1166 VanDerWaalsContact CD1-CD2 3.44Å; L883-F1166 HydrophobicContact CD1-CE2 3.35Å; L883-F1166 HydrophobicContact CD1-CG 4.31Å; L883-F1166 HydrophobicContact CD1-CZ 4.15Å; L883-F1166 HydrophobicContact CD2-CD2 3.69Å; L883-F1166 HydrophobicContact CD2-CE2 4.23Å; L883-F1166 HydrophobicContact CG-CD2 4.13Å; L883-F1166 HydrophobicContact CG-CE2 4.41Å
884	R	83.7	Confident	85.1	Confident	218 Å²	218	64.8 Å²	64.8	82%	0.823	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	35.6	-174.7	-51.3	178.2	-179.6	174.4	-0.6	113.5	L880 Y881 D882	L880-R884 PolarHBondContact O-N 2.8Å; Y881-R884 PolarHBondContact O-N 3.04Å; D882-R884 VanDerWaalsContact C-N 3.34Å
885	I	83.4	Confident	84.7	Confident	11 Å²	11	59.8 Å²	59.8	6%	0.056	30%	0.301	C	S	.	.			trans	-96.9	111.1	173.6	-59.5	177	0	0	0	107.8	L840 Y844 L857 L880 L883 A887 F1166	L840-I885 HydrophobicContact CD1-CD1 4.26Å; L840-I885 HydrophobicContact CD2-CD1 4.11Å; L840-I885 HydrophobicContact CG-CD1 4.16Å; Y844-I885 HydrophobicContact CD2-CD1 4.04Å; Y844-I885 HydrophobicContact CD2-CG1 3.88Å; Y844-I885 HydrophobicContact CD2-CG2 4.48Å; Y844-I885 HydrophobicContact CE2-CD1 4.48Å; Y844-I885 HydrophobicContact CE2-CG1 3.98Å; L857-I885 HydrophobicContact CD2-CG2 3.95Å; L880-I885 HydrophobicContact CD2-CB 4.07Å; L880-I885 HydrophobicContact CD2-CD1 4.29Å; L880-I885 HydrophobicContact CD2-CG2 4.17Å; L880-I885 PolarHBondContact O-N 3.36Å; L883-I885 VanDerWaalsContact C-N 3.26Å; L883-I885 HydrophobicContact CB-CD1 4.05Å; L883-I885 HydrophobicContact CB-CG1 4Å; L883-I885 HydrophobicContact CD1-CD1 4.09Å; L883-I885 PolarHBondContact O-N 3.16Å; I885-A887 HydrophobicContact CG2-CB 4.22Å; I885-A887 PolarHBondContact O-N 3.22Å; I885-A887 VanDerWaalsContact O-N 3.08Å; I885-F1166 HydrophobicContact CD1-CD1 4.01Å; I885-F1166 HydrophobicContact CD1-CE1 4.37Å; I885-F1166 HydrophobicContact CD1-CG 4.15Å
886	N	85.7	Confident	84.2	Confident	149 Å²	149	60.3 Å²	60.3	80%	0.797	31%	0.306	S	S	*	.			trans	-76.4	95.5	175.6	-70.9	-13.7	0	0	0	109.5
887	A	88.6	Confident	83.5	Confident	25 Å²	25	62.9 Å²	62.9	21%	0.207	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	149.1	178	0	0	0	0	0	111.5	L857 I859 L880 I885	L857-A887 HydrophobicContact CB-CB 3.76Å; L857-A887 HydrophobicContact CD2-CB 3.84Å; L857-A887 HydrophobicContact CG-CB 3.77Å; L857-A887 VanDerWaalsContact O-CA 3.29Å; L857-A887 WeakPolarHBondContact O-CA 3.27Å; I859-A887 HydrophobicContact CD1-CB 3.67Å; I859-A887 HydrophobicContact CG1-CB 4.21Å; L880-A887 HydrophobicContact CD1-CB 4.33Å; I885-A887 HydrophobicContact CG2-CB 4.22Å; I885-A887 PolarHBondContact O-N 3.22Å; I885-A887 VanDerWaalsContact O-N 3.08Å
888	S	90.6	Very high	82.9	Confident	50 Å²	50	61 Å²	61	35%	0.35	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	131	171.2	59.5	0	0	0	0	110.5	L857 R858 I859	L857-S888 PolarHBondContact O-N 3.1Å; R858-S888 WeakPolarHBondContact CG-OG 3.35Å; I859-S888 PolarHBondContact N-O 3.27Å
889	V	90.8	Very high	82.5	Confident	15 Å²	15	55 Å²	55	9%	0.091	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	127.6	177.2	-174.8	0	0	0	0	110.9	I859 V861 K873 M876 L880 V891	I859-V889 WeakPolarHBondContact O-CA 3.45Å; V861-V889 HydrophobicContact CG2-CG1 4.44Å; K873-V889 WeakPolarHBondContact CE-O 3.39Å; M876-V889 HydrophobicContact CB-CG1 3.93Å; M876-V889 HydrophobicContact CB-CG2 4.41Å; L880-V889 HydrophobicContact CD1-CG2 3.2Å; V889-V891 HydrophobicContact CG1-CG2 4.44Å
890	E	90.3	Very high	82	Confident	80 Å²	80	56.8 Å²	56.8	37%	0.374	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	133.1	170.7	-166.7	169.1	172.8	0	0	109.2	I859 F860 V861 H1114	I859-E890 PolarHBondContact O-N 3.31Å; F860-E890 CarbonylContact C-O 3.58Å; F860-E890 VanDerWaalsContact CA-O 3.31Å; F860-E890 WeakPolarHBondContact CA-O 3.49Å; F860-E890 HydrophobicContact CD1-CB 3.87Å; F860-E890 HydrophobicContact CD1-CG 4.3Å; F860-E890 HydrophobicContact CE1-CB 4.03Å; F860-E890 HydrophobicContact CE1-CG 4.35Å; F860-E890 WeakPolarHBondContact CE1-OE2 2.96Å; V861-E890 PolarHBondContact N-O 3.3Å; E890-H1114 IonicContact OE1-CE1 2.69Å; E890-H1114 PolarHBondContact OE1-CE1 2.92Å; E890-H1114 IonicContact OE1-ND1 3.05Å
891	V	87.7	Confident	81.2	Confident	19 Å²	19	57.5 Å²	57.5	12%	0.115	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	120.9	178.4	-177.1	0	0	0	0	107.3	V861 A863 I869 L872 K873 V889	V861-V891 HydrophobicContact CB-CG2 4.38Å; V861-V891 CarbonylContact O-C 3.43Å; V861-V891 WeakPolarHBondContact O-CA 3.31Å; A863-V891 HydrophobicContact CB-CG1 3.81Å; I869-V891 HydrophobicContact CG2-CB 3.96Å; I869-V891 HydrophobicContact CG2-CG1 3.82Å; L872-V891 HydrophobicContact CD2-CG1 3.99Å; L872-V891 HydrophobicContact CG-CG2 4.46Å; K873-V891 HydrophobicContact CB-CG2 3.72Å; K873-V891 HydrophobicContact CG-CG2 4.27Å; V889-V891 HydrophobicContact CG1-CG2 4.44Å
892	V	87.1	Confident	80.7	Confident	16 Å²	16	48.8 Å²	48.8	10%	0.097	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	118.5	-177.7	-176.8	0	0	0	0	108.2	W830 F860 V861 V862 A863 M894 L1110	W830-V892 HydrophobicContact CZ3-CG2 4.44Å; F860-V892 HydrophobicContact CD1-CG2 4.33Å; V861-V892 PolarHBondContact O-N 2.83Å; V862-V892 WeakPolarHBondContact CA-O 3.37Å; A863-V892 PolarHBondContact N-O 3.48Å; V892-M894 HydrophobicContact CG1-CG 4.39Å; V892-L1110 HydrophobicContact CG1-CD1 4.25Å
893	A	83.9	Confident	80.2	Confident	41 Å²	41	45.4 Å²	45.4	34%	0.339	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	133	176.4	0	0	0	0	0	110.4	A863 E865 I869	A863-A893 WeakPolarHBondContact O-CA 3.41Å; E865-A893 HydrophobicContact CG-CB 4.37Å; I869-A893 HydrophobicContact CD1-CB 3.69Å; I869-A893 HydrophobicContact CG1-CB 4.49Å
894	M	82	Confident	79.7	Confident	7 Å²	7	48 Å²	48	3%	0.034	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	159.6	172.8	-57.4	-177.9	68.6	0	0	111.5	V862 A863 T864 E865 V892 D898 I899 R1106 L1107 L1110	V862-M894 HydrophobicContact CG1-CB 4.45Å; V862-M894 HydrophobicContact CG1-CG 4.03Å; V862-M894 HydrophobicContact CG1-SD 3.73Å; A863-M894 PolarHBondContact O-N 2.66Å; T864-M894 WeakPolarHBondContact CA-O 3.18Å; E865-M894 PolarHBondContact N-O 3.18Å; V892-M894 HydrophobicContact CG1-CG 4.39Å; M894-D898 HydrophobicContact CE-CB 3.67Å; M894-I899 HydrophobicContact CB-CD1 3.98Å; M894-I899 HydrophobicContact CB-CG1 3.96Å; M894-I899 HydrophobicContact SD-CG1 4.32Å; M894-R1106 HydrophobicContact CE-CG 4.25Å; M894-L1107 HydrophobicContact CE-CD1 4.07Å; M894-L1107 HydrophobicContact SD-CD1 3.67Å; M894-L1110 HydrophobicContact CE-CD1 3.47Å; M894-L1110 VanDerWaalsContact CE-CD1 3.47Å; M894-L1110 HydrophobicContact CG-CD1 3.84Å; M894-L1110 HydrophobicContact SD-CD1 3.4Å; M894-L1110 WeakPolarHBondContact SD-CD1 3.33Å
895	S	79.4	Confident	78.7	Confident	34 Å²	34	40.6 Å²	40.6	24%	0.238	26%	0.261	C	S	.	.			trans	-67.4	145.5	174.1	83.6	0	0	0	0	111.1	A897 D898 I899	S895-A897 PolarHBondContact O-N 3.11Å; S895-A897 VanDerWaalsContact O-N 3.11Å; S895-D898 PolarHBondContact O-N 3.24Å; S895-D898 PolarHBondContact OG-N 2.85Å; S895-D898 PolarHBondContact OG-OD2 2.85Å; S895-I899 PolarHBondContact O-N 3.29Å
896	T	72.8	Confident	77.7	Confident	61 Å²	61	42 Å²	42	37%	0.374	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-26.8	176.2	-52.7	0	0	0	0	112.3	S900 V903	T896-S900 PolarHBondContact O-N 3.13Å; T896-V903 HydrophobicContact CG2-CG1 4.4Å
897	A	70.1	Confident	76.5	Confident	66 Å²	66	38.6 Å²	38.6	55%	0.545	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-40.6	176.1	0	0	0	0	0	112	S895 I899 S900 C1103	S895-A897 PolarHBondContact O-N 3.11Å; S895-A897 VanDerWaalsContact O-N 3.11Å; A897-I899 VanDerWaalsContact C-N 3.34Å; A897-I899 PolarHBondContact O-N 3.02Å; A897-S900 WeakPolarHBondContact O-CB 3.16Å; A897-S900 PolarHBondContact O-N 2.71Å; A897-S900 PolarHBondContact O-OG 3.09Å; A897-S900 VanDerWaalsContact O-OG 3.11Å; A897-C1103 PolarHBondContact O-SG 3.17Å
898	D	75	Confident	75.1	Confident	27 Å²	27	40.1 Å²	40.1	14%	0.144	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-24	-176.3	-61.3	-39.2	0	0	0	113	M894 S895 C1103 R1106	M894-D898 HydrophobicContact CE-CB 3.67Å; S895-D898 PolarHBondContact O-N 3.24Å; S895-D898 PolarHBondContact OG-N 2.85Å; S895-D898 PolarHBondContact OG-OD2 2.85Å; D898-C1103 VanDerWaalsContact O-CB 3.32Å; D898-C1103 WeakPolarHBondContact O-CB 3.44Å; D898-R1106 HydrophobicContact CB-CG 4.44Å
899	I	75.4	Confident	73.9	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.005	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	14.1	178.2	-32	169.4	0	0	0	112.2	I832 V833 V862 T864 M894 S895 A897 A901 Y902 V903	I832-I899 HydrophobicContact CG2-CG2 3.59Å; V833-I899 HydrophobicContact CG2-CG2 3.87Å; V862-I899 HydrophobicContact CG1-CD1 3.53Å; V862-I899 HydrophobicContact CG1-CG1 4.21Å; T864-I899 HydrophobicContact CG2-CD1 4.24Å; M894-I899 HydrophobicContact CB-CD1 3.98Å; M894-I899 HydrophobicContact CB-CG1 3.96Å; M894-I899 HydrophobicContact SD-CG1 4.32Å; S895-I899 PolarHBondContact O-N 3.29Å; A897-I899 VanDerWaalsContact C-N 3.34Å; A897-I899 PolarHBondContact O-N 3.02Å; I899-A901 PolarHBondContact O-N 3.39Å; I899-Y902 HydrophobicContact CG2-CD2 3.97Å; I899-Y902 HydrophobicContact CG2-CG 4.34Å; I899-Y902 PolarHBondContact O-N 3.2Å; I899-V903 HydrophobicContact CB-CG2 4.15Å; I899-V903 HydrophobicContact CG2-CG2 4.43Å; I899-V903 WeakPolarHBondContact O-CG2 3.08Å; I899-V903 PolarHBondContact O-N 3.31Å
900	S	70.7	Confident	72.7	Confident	48 Å²	48	41.3 Å²	41.3	34%	0.336	27%	0.267	S	S	.	.	H	α-helix	trans	-56.7	-29.8	-171.3	61	0	0	0	0	114.7	T896 A897 Y902 A904	T896-S900 PolarHBondContact O-N 3.13Å; A897-S900 WeakPolarHBondContact O-CB 3.16Å; A897-S900 PolarHBondContact O-N 2.71Å; A897-S900 PolarHBondContact O-OG 3.09Å; A897-S900 VanDerWaalsContact O-OG 3.11Å; S900-Y902 VanDerWaalsContact C-N 3.31Å; S900-Y902 PolarHBondContact O-N 3.27Å; S900-A904 PolarHBondContact O-N 3.28Å
901	A	68.5	Low	71.6	Confident	21 Å²	21	44.1 Å²	44.1	17%	0.174	28%	0.28	C	S	.	.	H	α-helix	trans	-64.6	-31.7	176.7	0	0	0	0	0	113.5	I899 P1126 Y1141	I899-A901 PolarHBondContact O-N 3.39Å; A901-P1126 HydrophobicContact CB-CB 4.49Å; A901-Y1141 HydrophobicContact CB-CE1 4.5Å; A901-Y1141 HydrophobicContact CB-CE2 4.04Å; A901-Y1141 WeakPolarHBondContact CB-OH 3.3Å
902	Y	74	Confident	70.7	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.008	30%	0.301	C	S	.	.	H	α-helix	trans	-94.1	-34.4	179	-62.8	-93.8	0	0	0	112.2	I832 H834 I899 S900 A904 Q905 L1107 N1124 P1126 L1145	I832-Y902 HydrophobicContact CB-CD1 4.2Å; I832-Y902 HydrophobicContact CB-CE1 4.13Å; I832-Y902 HydrophobicContact CB-CE2 4.47Å; I832-Y902 HydrophobicContact CB-CG 4.4Å; I832-Y902 HydrophobicContact CD1-CE1 4.29Å; I832-Y902 HydrophobicContact CD1-CE2 4.04Å; I832-Y902 HydrophobicContact CG2-CD1 3.92Å; I832-Y902 HydrophobicContact CG2-CD2 3.58Å; I832-Y902 HydrophobicContact CG2-CE1 4.17Å; I832-Y902 HydrophobicContact CG2-CE2 3.84Å; I832-Y902 HydrophobicContact CG2-CG 3.61Å; H834-Y902 PolarHBondContact NE2-O 2.88Å; I899-Y902 HydrophobicContact CG2-CD2 3.97Å; I899-Y902 HydrophobicContact CG2-CG 4.34Å; I899-Y902 PolarHBondContact O-N 3.2Å; S900-Y902 VanDerWaalsContact C-N 3.31Å; S900-Y902 PolarHBondContact O-N 3.27Å; Y902-A904 VanDerWaalsContact C-N 3.33Å; Y902-A904 PolarHBondContact O-N 2.91Å; Y902-Q905 PolarHBondContact O-N 3.16Å; Y902-L1107 HydrophobicContact CE2-CD2 3.94Å; Y902-N1124 WeakPolarHBondContact CE1-ND2 3.24Å; Y902-N1124 WeakPolarHBondContact CE1-O 3.48Å; Y902-N1124 PolarHBondContact OH-O 3.44Å; Y902-P1126 HydrophobicContact CE1-CB 4.33Å; Y902-L1145 WeakPolarHBondContact OH-CD2 3.01Å
903	V	69	Low	69.7	Low	33 Å²	33	49 Å²	49	20%	0.2	30%	0.3	C	S	.	.	H	α-helix	trans	-65.6	-35.3	-179.1	176.2	0	0	0	0	111.6	V833 T896 I899 Q905 R906	V833-V903 HydrophobicContact CG2-CG2 4.46Å; T896-V903 HydrophobicContact CG2-CG1 4.4Å; I899-V903 HydrophobicContact CB-CG2 4.15Å; I899-V903 HydrophobicContact CG2-CG2 4.43Å; I899-V903 WeakPolarHBondContact O-CG2 3.08Å; I899-V903 PolarHBondContact O-N 3.31Å; V903-Q905 PolarHBondContact O-N 3.38Å; V903-Q905 VanDerWaalsContact O-N 3.11Å; V903-R906 WeakPolarHBondContact O-CB 3.44Å; V903-R906 PolarHBondContact O-N 3.44Å
904	A	63.9	Low	69	Low	85 Å²	85	55.3 Å²	55.3	70%	0.702	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-26.2	178.7	0	0	0	0	0	113.9	S900 Y902	S900-A904 PolarHBondContact O-N 3.28Å; Y902-A904 VanDerWaalsContact C-N 3.33Å; Y902-A904 PolarHBondContact O-N 2.91Å
905	Q	62.8	Low	68.5	Low	62 Å²	62	57.4 Å²	57.4	29%	0.29	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-7.3	178.4	-63	-173.3	-49.2	0	0	113.2	Y902 V903 S909 G1127	Y902-Q905 PolarHBondContact O-N 3.16Å; V903-Q905 PolarHBondContact O-N 3.38Å; V903-Q905 VanDerWaalsContact O-N 3.11Å; Q905-S909 WeakPolarHBondContact O-CB 3.43Å; Q905-S909 PolarHBondContact O-N 2.73Å; Q905-S909 PolarHBondContact O-OG 3.01Å; Q905-G1127 VanDerWaalsContact NE2-CA 3.33Å
906	R	62.9	Low	68.1	Low	39 Å²	39	57.4 Å²	57.4	15%	0.147	33%	0.33	C	S	.	.	H	α-helix	trans	-69.3	-51.2	-168.1	-176.3	-179.9	170.1	-165.4	-11.9	114.2	V833 H834 V903 A908 S909 I910	V833-R906 HydrophobicContact CG1-CB 4.29Å; V833-R906 HydrophobicContact CG1-CG 4.12Å; H834-R906 WeakPolarHBondContact CE1-CA 3.3Å; H834-R906 VanDerWaalsContact NE2-CA 3.32Å; H834-R906 WeakPolarHBondContact NE2-CA 3.36Å; V903-R906 WeakPolarHBondContact O-CB 3.44Å; V903-R906 PolarHBondContact O-N 3.44Å; R906-A908 PolarHBondContact O-N 2.98Å; R906-S909 PolarHBondContact O-N 3.23Å; R906-I910 HydrophobicContact CG-CD1 3.59Å; R906-I910 HydrophobicContact CG-CG1 4.42Å; R906-I910 WeakPolarHBondContact O-CG1 3.22Å; R906-I910 PolarHBondContact O-N 3.18Å
907	T	59.9	Low	68	Low	79 Å²	79	55.8 Å²	55.8	49%	0.485	32%	0.319	S	S	.	.	H	α-helix	trans	-62.5	-44.6	-172.1	-44	0	0	0	0	111.8	S909	T907-S909 PolarHBondContact O-N 3.35Å
908	A	61	Low	68	Low	56 Å²	56	59.6 Å²	59.6	46%	0.463	33%	0.328	S	S	.	.	H	α-helix	trans	-66.4	-35.1	179.2	0	0	0	0	0	113.4	R906 Q912	R906-A908 PolarHBondContact O-N 2.98Å; A908-Q912 WeakPolarHBondContact O-CG 3.33Å
909	S	64.1	Low	67.8	Low	43 Å²	43	65.8 Å²	65.8	30%	0.301	36%	0.356	S	S	.	.	H	α-helix	trans	-79.6	-32.7	-173.5	-54.7	0	0	0	0	112.3	Q905 R906 T907 R913	Q905-S909 WeakPolarHBondContact O-CB 3.43Å; Q905-S909 PolarHBondContact O-N 2.73Å; Q905-S909 PolarHBondContact O-OG 3.01Å; R906-S909 PolarHBondContact O-N 3.23Å; T907-S909 PolarHBondContact O-N 3.35Å; S909-R913 VanDerWaalsContact O-CB 3.27Å; S909-R913 WeakPolarHBondContact O-CB 3.38Å; S909-R913 PolarHBondContact O-N 3.29Å
910	I	66.2	Low	67.1	Low	48 Å²	48	67.4 Å²	67.4	25%	0.246	36%	0.364	C	S	.	.	H	α-helix	trans	-68.1	-45.8	179.9	-69.6	172	0	0	0	111.3	R906 R913 R914	R906-I910 HydrophobicContact CG-CD1 3.59Å; R906-I910 HydrophobicContact CG-CG1 4.42Å; R906-I910 WeakPolarHBondContact O-CG1 3.22Å; R906-I910 PolarHBondContact O-N 3.18Å; I910-R913 PolarHBondContact O-N 3.37Å; I910-R914 WeakPolarHBondContact O-CB 3.36Å; I910-R914 PolarHBondContact O-N 3.38Å
911	E	67.3	Low	66.9	Low	138 Å²	138	74.3 Å²	74.3	65%	0.645	39%	0.388	S	S	*	.	H	α-helix	trans	-64.3	-45.6	-179.4	-70	-176	170.1	0	0	111.8	R913 R914 A915	E911-R913 VanDerWaalsContact C-N 3.32Å; E911-R913 PolarHBondContact O-N 3.3Å; E911-R914 PolarHBondContact O-N 2.8Å; E911-A915 PolarHBondContact O-N 2.71Å
912	Q	68.2	Low	66.6	Low	118 Å²	118	74.6 Å²	74.6	55%	0.551	39%	0.386	S	S	*	.	H	α-helix	trans	-59.7	-43.3	175.4	-71	-178.6	-4.1	0	0	111.5	A908 R914 A915 L916	A908-Q912 WeakPolarHBondContact O-CG 3.33Å; Q912-R914 PolarHBondContact O-N 2.83Å; Q912-A915 PolarHBondContact O-N 3.12Å; Q912-L916 WeakPolarHBondContact O-CB 3.48Å; Q912-L916 PolarHBondContact O-N 2.89Å
913	R	67.5	Low	66	Low	21 Å²	21	77 Å²	77	8%	0.079	40%	0.403	C	S	.	.	H	α-helix	trans	-63.7	-40.5	176.5	-169.6	-179.3	-171.9	95.7	-3.1	111.6	S909 I910 E911 L916 L917 D930 G1159 E1161	S909-R913 VanDerWaalsContact O-CB 3.27Å; S909-R913 WeakPolarHBondContact O-CB 3.38Å; S909-R913 PolarHBondContact O-N 3.29Å; I910-R913 PolarHBondContact O-N 3.37Å; E911-R913 VanDerWaalsContact C-N 3.32Å; E911-R913 PolarHBondContact O-N 3.3Å; R913-L916 WeakPolarHBondContact O-CB 3.3Å; R913-L916 PolarHBondContact O-N 3.02Å; R913-L917 HydrophobicContact CG-CD1 4.34Å; R913-L917 VanDerWaalsContact O-CG 3.29Å; R913-L917 WeakPolarHBondContact O-CG 3.46Å; R913-L917 PolarHBondContact O-N 2.91Å; R913-D930 IonicContact CZ-OD2 3.66Å; R913-D930 IonicContact NE-OD2 3.81Å; R913-D930 PolarHBondContact NE-OD2 3.02Å; R913-D930 VanDerWaalsContact NH2-CG 3.3Å; R913-D930 IonicContact NH2-OD1 3.34Å; R913-D930 PolarHBondContact NH2-OD1 3.39Å; R913-D930 VanDerWaalsContact NH2-OD1 3.17Å; R913-D930 IonicContact NH2-OD2 3.53Å; R913-D930 PolarHBondContact NH2-OD2 3.32Å; R913-G1159 PolarHBondContact NH1-O 3.42Å; R913-E1161 PolarHBondContact NH1-O 3.45Å; R913-E1161 PolarHBondContact NH2-O 3.21Å
914	R	69.1	Low	65.6	Low	173 Å²	173	81 Å²	81	65%	0.653	43%	0.428	S	S	*	.	H	α-helix	trans	-67.3	-41.5	179.2	-149.4	176.1	-169.3	171	3.2	111.8	I910 E911 Q912 L917 M918	I910-R914 WeakPolarHBondContact O-CB 3.36Å; I910-R914 PolarHBondContact O-N 3.38Å; E911-R914 PolarHBondContact O-N 2.8Å; Q912-R914 PolarHBondContact O-N 2.83Å; R914-L917 PolarHBondContact O-N 3.32Å; R914-M918 WeakPolarHBondContact O-CG 3.34Å; R914-M918 PolarHBondContact O-N 3.26Å; R914-M918 VanDerWaalsContact O-N 3.09Å
915	A	71.4	Confident	65.5	Low	50 Å²	50	82.1 Å²	82.1	41%	0.413	43%	0.426	S	S	.	.	H	α-helix	trans	-62.3	-42.5	173.5	0	0	0	0	0	111.9	E911 Q912 M918 Q919	E911-A915 PolarHBondContact O-N 2.71Å; Q912-A915 PolarHBondContact O-N 3.12Å; A915-M918 PolarHBondContact O-N 2.95Å; A915-Q919 WeakPolarHBondContact O-CG 3.33Å; A915-Q919 PolarHBondContact O-N 3.28Å; A915-Q919 VanDerWaalsContact O-N 3.14Å
916	L	71.4	Confident	65.4	Low	34 Å²	34	82.7 Å²	82.7	18%	0.178	43%	0.428	C	S	.	.	H	α-helix	trans	-59.5	-48.5	174.1	-171.7	93.2	0	0	0	111.2	Q912 R913 M918 Q919 M920 R1160 V1162	Q912-L916 WeakPolarHBondContact O-CB 3.48Å; Q912-L916 PolarHBondContact O-N 2.89Å; R913-L916 WeakPolarHBondContact O-CB 3.3Å; R913-L916 PolarHBondContact O-N 3.02Å; L916-M918 VanDerWaalsContact C-N 3.27Å; L916-M918 PolarHBondContact O-N 3.31Å; L916-Q919 PolarHBondContact O-N 2.93Å; L916-Q919 VanDerWaalsContact O-N 3.16Å; L916-M920 HydrophobicContact CB-CE 4.46Å; L916-M920 HydrophobicContact CD2-CE 3.66Å; L916-M920 HydrophobicContact CD2-SD 4.4Å; L916-M920 HydrophobicContact CG-CE 3.77Å; L916-M920 HydrophobicContact CG-SD 4.37Å; L916-M920 WeakPolarHBondContact O-CE 3.37Å; L916-M920 WeakPolarHBondContact O-CG 3.2Å; L916-M920 PolarHBondContact O-N 3.48Å; L916-R1160 HydrophobicContact CD2-CB 4.48Å; L916-V1162 HydrophobicContact CD2-CG2 4.41Å
917	L	68.9	Low	65.2	Low	27 Å²	27	81.8 Å²	81.8	14%	0.141	43%	0.429	C	S	.	.	H	α-helix	trans	-58.6	-37.9	178.9	-72.4	168	0	0	0	112.3	R913 R914 M920 I922 L933 V1162	R913-L917 HydrophobicContact CG-CD1 4.34Å; R913-L917 VanDerWaalsContact O-CG 3.29Å; R913-L917 WeakPolarHBondContact O-CG 3.46Å; R913-L917 PolarHBondContact O-N 2.91Å; R914-L917 PolarHBondContact O-N 3.32Å; L917-M920 HydrophobicContact CB-CE 4.45Å; L917-M920 HydrophobicContact CD2-CE 3.74Å; L917-M920 HydrophobicContact CG-CE 4.22Å; L917-M920 PolarHBondContact O-N 3.38Å; L917-I922 HydrophobicContact CD2-CD1 3.9Å; L917-L933 HydrophobicContact CD1-CD1 4.1Å; L917-V1162 HydrophobicContact CD2-CG1 4.47Å; L917-V1162 HydrophobicContact CD2-CG2 4.21Å
918	M	70.9	Confident	65.3	Low	146 Å²	146	86.2 Å²	86.2	72%	0.719	44%	0.437	S	S	*	.	H	α-helix	trans	-66.6	-40.7	175.6	-72.3	-176.3	179.2	0	0	112.8	R914 A915 L916 M920 K921	R914-M918 WeakPolarHBondContact O-CG 3.34Å; R914-M918 PolarHBondContact O-N 3.26Å; R914-M918 VanDerWaalsContact O-N 3.09Å; A915-M918 PolarHBondContact O-N 2.95Å; L916-M918 VanDerWaalsContact C-N 3.27Å; L916-M918 PolarHBondContact O-N 3.31Å; M918-M920 PolarHBondContact O-N 3.08Å; M918-K921 PolarHBondContact O-N 2.87Å
919	Q	69.9	Low	65.3	Low	157 Å²	157	85.6 Å²	85.6	73%	0.734	43%	0.429	S	S	*	.	H	α-helix	trans	-64	-28.2	177.2	-70.9	178.2	-3.2	0	0	112.8	A915 L916 K921	A915-Q919 WeakPolarHBondContact O-CG 3.33Å; A915-Q919 PolarHBondContact O-N 3.28Å; A915-Q919 VanDerWaalsContact O-N 3.14Å; L916-Q919 PolarHBondContact O-N 2.93Å; L916-Q919 VanDerWaalsContact O-N 3.16Å; Q919-K921 VanDerWaalsContact C-N 3.34Å; Q919-K921 PolarHBondContact O-N 3.27Å
920	M	60.8	Low	65.4	Low	35 Å²	35	83.6 Å²	83.6	17%	0.172	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-2.8	-174.4	-69	-173.9	-72.8	0	0	115.3	T666 L916 L917 M918 I922 V1162	T666-M920 PolarHBondContact OG1-SD 3.37Å; L916-M920 HydrophobicContact CB-CE 4.46Å; L916-M920 HydrophobicContact CD2-CE 3.66Å; L916-M920 HydrophobicContact CD2-SD 4.4Å; L916-M920 HydrophobicContact CG-CE 3.77Å; L916-M920 HydrophobicContact CG-SD 4.37Å; L916-M920 WeakPolarHBondContact O-CE 3.37Å; L916-M920 WeakPolarHBondContact O-CG 3.2Å; L916-M920 PolarHBondContact O-N 3.48Å; L917-M920 HydrophobicContact CB-CE 4.45Å; L917-M920 HydrophobicContact CD2-CE 3.74Å; L917-M920 HydrophobicContact CG-CE 4.22Å; L917-M920 PolarHBondContact O-N 3.38Å; M918-M920 PolarHBondContact O-N 3.08Å; M920-I922 HydrophobicContact CB-CD1 3.77Å; M920-I922 HydrophobicContact CB-CG1 3.71Å; M920-I922 HydrophobicContact CE-CD1 3.71Å; M920-I922 PolarHBondContact O-N 3.23Å; M920-I922 VanDerWaalsContact O-N 3.12Å; M920-I922 HydrophobicContact SD-CD1 4.07Å; M920-V1162 HydrophobicContact CE-CG2 4.03Å
921	K	67.2	Low	65.4	Low	194 Å²	194	81.7 Å²	81.7	84%	0.843	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.7	40.5	-177.8	-59.5	-176.1	179.8	-178	0	112.8	M918 Q919	M918-K921 PolarHBondContact O-N 2.87Å; Q919-K921 VanDerWaalsContact C-N 3.34Å; Q919-K921 PolarHBondContact O-N 3.27Å
922	I	61.8	Low	65.4	Low	27 Å²	27	75.5 Å²	75.5	14%	0.138	38%	0.377	C	S	.	.			trans	-73.6	135.2	-179.7	-64.3	170.3	0	0	0	108.7	K667 L917 M920 E926 A927	K667-I922 HydrophobicContact CD-CG1 4.42Å; K667-I922 HydrophobicContact CG-CD1 4.45Å; K667-I922 HydrophobicContact CG-CG1 4.34Å; L917-I922 HydrophobicContact CD2-CD1 3.9Å; M920-I922 HydrophobicContact CB-CD1 3.77Å; M920-I922 HydrophobicContact CB-CG1 3.71Å; M920-I922 HydrophobicContact CE-CD1 3.71Å; M920-I922 PolarHBondContact O-N 3.23Å; M920-I922 VanDerWaalsContact O-N 3.12Å; M920-I922 HydrophobicContact SD-CD1 4.07Å; I922-E926 HydrophobicContact CG2-CB 3.47Å; I922-E926 VanDerWaalsContact CG2-CB 3.47Å; I922-A927 HydrophobicContact CG2-CB 4.05Å
923	S	63	Low	65.4	Low	52 Å²	52	71.6 Å²	71.6	36%	0.364	36%	0.359	S	S	.	.			trans	-66.2	148.3	174.7	69.9	0	0	0	0	109.9	V925 E926 A927	S923-V925 PolarHBondContact O-N 3.16Å; S923-E926 PolarHBondContact O-N 2.98Å; S923-E926 WeakPolarHBondContact OG-CG 3.41Å; S923-E926 PolarHBondContact OG-N 3.03Å; S923-A927 PolarHBondContact O-N 3.39Å
924	T	60.1	Low	65.4	Low	118 Å²	118	71.3 Å²	71.3	72%	0.724	36%	0.359	S	S	*	.	H	α-helix	trans	-57.5	-25.4	-178.6	48.4	0	0	0	0	113.3	R928	T924-R928 WeakPolarHBondContact O-CG 3.47Å
925	V	62.3	Low	65.4	Low	108 Å²	108	63.6 Å²	63.6	66%	0.655	33%	0.332	S	S	*	.	H	α-helix	trans	-71.6	-48.3	175.2	-177.8	0	0	0	0	111.2	S923 A927 R928	S923-V925 PolarHBondContact O-N 3.16Å; V925-A927 VanDerWaalsContact C-N 3.32Å; V925-A927 PolarHBondContact O-N 2.9Å; V925-R928 PolarHBondContact O-N 3.12Å
926	E	58.9	Low	65.3	Low	73 Å²	73	63 Å²	63	34%	0.341	32%	0.321	S	S	.	.	H	α-helix	trans	-65.6	-34.6	178.7	-74.4	169.2	-163.9	0	0	112.2	K667 I922 S923 R928 C929	K667-E926 IonicContact NZ-OE2 3.5Å; K667-E926 PolarHBondContact NZ-OE2 3.38Å; I922-E926 HydrophobicContact CG2-CB 3.47Å; I922-E926 VanDerWaalsContact CG2-CB 3.47Å; S923-E926 PolarHBondContact O-N 2.98Å; S923-E926 WeakPolarHBondContact OG-CG 3.41Å; S923-E926 PolarHBondContact OG-N 3.03Å; E926-R928 VanDerWaalsContact C-N 3.28Å; E926-R928 PolarHBondContact O-N 3.2Å; E926-C929 WeakPolarHBondContact O-CB 3.49Å; E926-C929 PolarHBondContact O-N 3.34Å; E926-C929 VanDerWaalsContact O-N 3.14Å
927	A	59.7	Low	65.1	Low	21 Å²	21	66.5 Å²	66.5	17%	0.174	34%	0.337	C	S	.	.	H	α-helix	trans	-65.2	-32	178	0	0	0	0	0	112.5	I922 S923 V925 C929 D930 L933	I922-A927 HydrophobicContact CG2-CB 4.05Å; S923-A927 PolarHBondContact O-N 3.39Å; V925-A927 VanDerWaalsContact C-N 3.32Å; V925-A927 PolarHBondContact O-N 2.9Å; A927-C929 PolarHBondContact O-N 2.77Å; A927-D930 PolarHBondContact O-N 3.12Å; A927-L933 HydrophobicContact CB-CD2 4.03Å; A927-L933 WeakPolarHBondContact O-CD2 3.38Å
928	R	61.8	Low	64.7	Low	172 Å²	172	67.3 Å²	67.3	65%	0.649	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-11.7	175.6	-74	177.4	176.8	-176.1	-1.1	113.5	T924 V925 E926 D930	T924-R928 WeakPolarHBondContact O-CG 3.47Å; V925-R928 PolarHBondContact O-N 3.12Å; E926-R928 VanDerWaalsContact C-N 3.28Å; E926-R928 PolarHBondContact O-N 3.2Å; R928-D930 VanDerWaalsContact C-N 3.27Å; R928-D930 PolarHBondContact O-N 3.41Å
929	C	61.9	Low	64.2	Low	43 Å²	43	61.2 Å²	61.2	29%	0.291	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	1.8	176.8	-63.9	0	0	0	0	113.7	F879 E926 A927	F879-C929 VanDerWaalsContact CE2-C 3.42Å; F879-C929 VanDerWaalsContact CE2-O 3.22Å; F879-C929 WeakPolarHBondContact CE2-O 3.32Å; F879-C929 VanDerWaalsContact CZ-O 3.25Å; F879-C929 WeakPolarHBondContact CZ-O 3.2Å; E926-C929 WeakPolarHBondContact O-CB 3.49Å; E926-C929 PolarHBondContact O-N 3.34Å; E926-C929 VanDerWaalsContact O-N 3.14Å; A927-C929 PolarHBondContact O-N 2.77Å
930	D	65.2	Low	63.2	Low	1 Å²	1	60.6 Å²	60.6	1%	0.005	30%	0.303	C	S	.	.			trans	-96.3	120	175.4	-179.1	8.3	0	0	0	110.9	R913 A927 R928 Q932 L933	R913-D930 IonicContact CZ-OD2 3.66Å; R913-D930 IonicContact NE-OD2 3.81Å; R913-D930 PolarHBondContact NE-OD2 3.02Å; R913-D930 VanDerWaalsContact NH2-CG 3.3Å; R913-D930 IonicContact NH2-OD1 3.34Å; R913-D930 PolarHBondContact NH2-OD1 3.39Å; R913-D930 VanDerWaalsContact NH2-OD1 3.17Å; R913-D930 IonicContact NH2-OD2 3.53Å; R913-D930 PolarHBondContact NH2-OD2 3.32Å; A927-D930 PolarHBondContact O-N 3.12Å; R928-D930 VanDerWaalsContact C-N 3.27Å; R928-D930 PolarHBondContact O-N 3.41Å; D930-Q932 PolarHBondContact O-N 2.78Å; D930-Q932 PolarHBondContact OD1-N 2.92Å; D930-L933 HydrophobicContact CB-CB 4.28Å; D930-L933 PolarHBondContact O-N 3.41Å; D930-L933 VanDerWaalsContact O-N 3.15Å
931	P	65.9	Low	62.7	Low	7 Å²	7	63.9 Å²	63.9	5%	0.045	33%	0.327	C	S	.	.	H	α-helix	trans	-62.5	-32.1	-176.4	21.6	-28.6	0	0	0	112.6	G837 L840 F879 L933 I934 V935	G837-P931 VanDerWaalsContact CA-CG 3.44Å; L840-P931 HydrophobicContact CD2-CG 4.49Å; F879-P931 HydrophobicContact CD1-CB 4.22Å; F879-P931 HydrophobicContact CE1-CB 3.51Å; F879-P931 HydrophobicContact CE1-CG 4.03Å; F879-P931 HydrophobicContact CZ-CB 3.81Å; F879-P931 HydrophobicContact CZ-CG 4.07Å; P931-L933 VanDerWaalsContact C-N 3.29Å; P931-L933 PolarHBondContact O-N 3.46Å; P931-I934 PolarHBondContact O-N 3.14Å; P931-V935 WeakPolarHBondContact O-CG2 3.38Å; P931-V935 PolarHBondContact O-N 2.57Å; P931-V935 VanDerWaalsContact O-N 3.17Å
932	Q	67.5	Low	61.5	Low	8 Å²	8	57 Å²	57	4%	0.037	30%	0.304	C	S	.	.	H	α-helix	trans	-65.5	-36.1	-179.7	-170	64.6	44.7	0	0	111.1	V833 D930 I934 V935 D936	V833-Q932 PolarHBondContact O-NE2 3.02Å; D930-Q932 PolarHBondContact O-N 2.78Å; D930-Q932 PolarHBondContact OD1-N 2.92Å; Q932-I934 VanDerWaalsContact C-N 3.31Å; Q932-I934 PolarHBondContact O-N 3.38Å; Q932-V935 PolarHBondContact O-N 3.35Å; Q932-D936 PolarHBondContact NE2-OD1 3.14Å; Q932-D936 WeakPolarHBondContact O-CB 3.44Å; Q932-D936 PolarHBondContact O-N 2.88Å
933	L	68.3	Low	60.4	Low	36 Å²	36	62.2 Å²	62.2	19%	0.188	34%	0.343	C	S	.	.	H	α-helix	trans	-66.4	-34.3	179.5	-165.4	75.9	0	0	0	112	L917 A927 D930 P931 D936 Q937	L917-L933 HydrophobicContact CD1-CD1 4.1Å; A927-L933 HydrophobicContact CB-CD2 4.03Å; A927-L933 WeakPolarHBondContact O-CD2 3.38Å; D930-L933 HydrophobicContact CB-CB 4.28Å; D930-L933 PolarHBondContact O-N 3.41Å; D930-L933 VanDerWaalsContact O-N 3.15Å; P931-L933 VanDerWaalsContact C-N 3.29Å; P931-L933 PolarHBondContact O-N 3.46Å; L933-D936 PolarHBondContact O-N 3.38Å; L933-Q937 WeakPolarHBondContact O-CB 3.45Å; L933-Q937 WeakPolarHBondContact O-CG 3.42Å; L933-Q937 PolarHBondContact O-N 2.79Å
934	I	68.2	Low	59.2	Low	15 Å²	15	63.6 Å²	63.6	8%	0.077	36%	0.358	C	S	.	.	H	α-helix	trans	-72.7	-40.7	177.9	-60.5	172.7	0	0	0	110.7	D875 M876 F879 P931 Q932 D936 Q937 H938	D875-I934 HydrophobicContact CB-CG2 3.79Å; M876-I934 HydrophobicContact CE-CB 3.35Å; M876-I934 HydrophobicContact CE-CD1 4.08Å; M876-I934 HydrophobicContact CE-CG1 4.3Å; M876-I934 HydrophobicContact CE-CG2 3.27Å; F879-I934 HydrophobicContact CB-CD1 3.66Å; F879-I934 HydrophobicContact CD1-CD1 4.49Å; F879-I934 HydrophobicContact CD2-CD1 3.17Å; F879-I934 HydrophobicContact CE2-CD1 3.88Å; F879-I934 HydrophobicContact CG-CD1 3.53Å; P931-I934 PolarHBondContact O-N 3.14Å; Q932-I934 VanDerWaalsContact C-N 3.31Å; Q932-I934 PolarHBondContact O-N 3.38Å; I934-D936 VanDerWaalsContact C-N 3.31Å; I934-Q937 PolarHBondContact O-N 3.23Å; I934-H938 PolarHBondContact O-ND1 3.29Å
935	V	68.1	Low	58.2	Low	12 Å²	12	61.6 Å²	61.6	7%	0.073	34%	0.342	C	S	.	.	H	α-helix	trans	-59	-46.9	172	175.7	0	0	0	0	109.7	L872 M876 P931 Q932 Q937 H938 R939	L872-V935 HydrophobicContact CD1-CG2 4.33Å; M876-V935 HydrophobicContact CE-CG2 4.04Å; M876-V935 HydrophobicContact SD-CG2 4.14Å; P931-V935 WeakPolarHBondContact O-CG2 3.38Å; P931-V935 PolarHBondContact O-N 2.57Å; P931-V935 VanDerWaalsContact O-N 3.17Å; Q932-V935 PolarHBondContact O-N 3.35Å; V935-Q937 PolarHBondContact O-N 3.26Å; V935-H938 PolarHBondContact O-N 3.01Å; V935-R939 WeakPolarHBondContact O-CG 3.14Å
936	D	69.3	Low	56.8	Low	36 Å²	36	62.7 Å²	62.7	19%	0.193	34%	0.343	C	S	.	.	H	α-helix	trans	-67.7	-30.8	-178.5	-67.7	-17.8	0	0	0	113.2	Q932 L933 I934 H938	Q932-D936 PolarHBondContact NE2-OD1 3.14Å; Q932-D936 WeakPolarHBondContact O-CB 3.44Å; Q932-D936 PolarHBondContact O-N 2.88Å; L933-D936 PolarHBondContact O-N 3.38Å; I934-D936 VanDerWaalsContact C-N 3.31Å; D936-H938 VanDerWaalsContact C-N 3.34Å; D936-H938 PolarHBondContact O-N 3.3Å
937	Q	67.6	Low	55.5	Low	109 Å²	109	64.4 Å²	64.4	51%	0.509	35%	0.354	S	S	.	.	H	α-helix	trans	-66.8	-31.4	178.1	-83.5	171	16	0	0	113.9	L933 I934 V935	L933-Q937 WeakPolarHBondContact O-CB 3.45Å; L933-Q937 WeakPolarHBondContact O-CG 3.42Å; L933-Q937 PolarHBondContact O-N 2.79Å; I934-Q937 PolarHBondContact O-N 3.23Å; V935-Q937 PolarHBondContact O-N 3.26Å
938	H	59.7	Low	54.3	Low	43 Å²	43	68.3 Å²	68.3	20%	0.199	38%	0.378	C	S	.	.	H	α-helix	trans	-97.8	-2.8	-172.9	-70.1	85	0	0	0	113.9	L872 D875 I934 V935 D936	L872-H938 HydrophobicContact CB-CB 4.44Å; L872-H938 HydrophobicContact CD1-CB 4.34Å; D875-H938 IonicContact OD2-CE1 3.28Å; D875-H938 PolarHBondContact OD2-CE1 3.11Å; D875-H938 IonicContact OD2-NE2 2.68Å; D875-H938 PolarHBondContact OD2-NE2 3.48Å; D875-H938 VanDerWaalsContact OD2-NE2 3.15Å; I934-H938 PolarHBondContact O-ND1 3.29Å; V935-H938 PolarHBondContact O-N 3.01Å; D936-H938 VanDerWaalsContact C-N 3.34Å; D936-H938 PolarHBondContact O-N 3.3Å
939	R	60.2	Low	52.8	Low	18 Å²	18	62.7 Å²	62.7	7%	0.068	37%	0.369	C	S	.	.	S	Bend	trans	-88.6	127.7	173	-64.6	-156.7	172.3	124.5	-3.2	110.6	V833 V862 D867 V935	V833-R939 PolarHBondContact O-NH1 3.1Å; V862-R939 PolarHBondContact O-NH2 3.48Å; D867-R939 WeakPolarHBondContact OD1-CA 3.47Å; D867-R939 WeakPolarHBondContact OD1-CB 3.33Å; D867-R939 VanDerWaalsContact OD1-CG 3.32Å; D867-R939 WeakPolarHBondContact OD1-CG 3.27Å; D867-R939 WeakPolarHBondContact OD2-CD 3.04Å; D867-R939 WeakPolarHBondContact OD2-CG 3.46Å; D867-R939 IonicContact OD2-NE 3.42Å; D867-R939 PolarHBondContact OD2-NE 3.22Å; D867-R939 VanDerWaalsContact OD2-NE 3.14Å; V935-R939 WeakPolarHBondContact O-CG 3.14Å
940	K	50.6	Low	51.5	Low	144 Å²	144	65.4 Å²	65.4	63%	0.626	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-69.6	141.4	172.7	-74	177.5	-179.8	170	0	109.8	S942	K940-S942 PolarHBondContact O-N 3.25Å
941	P	49	Very low	50.1	Low	104 Å²	104	70.2 Å²	70.2	68%	0.675	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-60.7	130.4	168.9	24.8	-30.2	0	0	0	108.4	D945	P941-D945 VanDerWaalsContact CA-OD2 3.28Å; P941-D945 WeakPolarHBondContact CA-OD2 3.35Å; P941-D945 HydrophobicContact CB-CB 4.45Å; P941-D945 VanDerWaalsContact CB-OD2 3.28Å; P941-D945 WeakPolarHBondContact CB-OD2 3.44Å
942	S	42.9	Very low	48.5	Very low	49 Å²	49	75 Å²	75	34%	0.343	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-72.5	151.5	-179.4	76.1	0	0	0	0	108.9	K940 A944 D945	K940-S942 PolarHBondContact O-N 3.25Å; S942-A944 PolarHBondContact O-N 3Å; S942-D945 PolarHBondContact N-OD2 3.06Å; S942-D945 WeakPolarHBondContact O-CB 3.25Å; S942-D945 PolarHBondContact O-N 3Å
943	S	37.6	Very low	46.7	Very low	137 Å²	137	82.7 Å²	82.7	96%	0.958	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	2.3	178.9	52.2	0	0	0	0	115.3
944	A	39.7	Very low	44.9	Very low	82 Å²	82	84.8 Å²	84.8	68%	0.678	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-4.8	168	0	0	0	0	0	113.8	S942 I946	S942-A944 PolarHBondContact O-N 3Å; A944-I946 PolarHBondContact O-N 3.5Å
945	D	37.8	Very low	43.2	Very low	76 Å²	76	91 Å²	91	41%	0.406	52%	0.518	S	S	.	.	S	Bend	trans	-80.6	102.8	178.8	-64.9	-35.1	0	0	0	109.6	P941 S942 N947	P941-D945 VanDerWaalsContact CA-OD2 3.28Å; P941-D945 WeakPolarHBondContact CA-OD2 3.35Å; P941-D945 HydrophobicContact CB-CB 4.45Å; P941-D945 VanDerWaalsContact CB-OD2 3.28Å; P941-D945 WeakPolarHBondContact CB-OD2 3.44Å; S942-D945 PolarHBondContact N-OD2 3.06Å; S942-D945 WeakPolarHBondContact O-CB 3.25Å; S942-D945 PolarHBondContact O-N 3Å; D945-N947 PolarHBondContact O-N 3.45Å
946	I	34.2	Very low	41.1	Very low	131 Å²	131	95.7 Å²	95.7	67%	0.672	55%	0.55	S	S	*	*			trans	-54.1	129.5	175.1	-62.6	168.2	0	0	0	109	A944 I951	A944-I946 PolarHBondContact O-N 3.5Å; I946-I951 HydrophobicContact CG2-CD1 4.13Å; I946-I951 HydrophobicContact CG2-CG1 4.35Å
947	N	30.1	Very low	38.9	Very low	108 Å²	108	98.4 Å²	98.4	58%	0.578	57%	0.572	S	S	*	*			trans	-52.6	123.8	-179.6	-105.9	-24.4	0	0	0	111.3	D945 A949 D950	D945-N947 PolarHBondContact O-N 3.45Å; N947-A949 PolarHBondContact O-N 3.48Å; N947-D950 WeakPolarHBondContact CB-OD2 3.46Å; N947-D950 PolarHBondContact O-N 3.45Å; N947-D950 VanDerWaalsContact O-N 3.07Å
948	P	34.2	Very low	37.1	Very low	104 Å²	104	100.9 Å²	100.9	68%	0.675	59%	0.587	S	S	*	*	H	α-helix	trans	-65.2	-8.6	179.6	22.7	-30.8	0	0	0	113.8
949	A	31	Very low	35.5	Very low	54 Å²	54	105.8 Å²	105.8	45%	0.446	62%	0.615	S	S	.	*	H	α-helix	trans	-82.7	-18	175.2	0	0	0	0	0	114	N947	N947-A949 PolarHBondContact O-N 3.48Å
950	D	33.8	Very low	33.8	Very low	99 Å²	99	109.6 Å²	109.6	53%	0.529	64%	0.644	S	S	.	*	H	α-helix	trans	-93.7	-17.5	-174.6	-64.4	-32.6	0	0	0	112.9	N947 S954	N947-D950 WeakPolarHBondContact CB-OD2 3.46Å; N947-D950 PolarHBondContact O-N 3.45Å; N947-D950 VanDerWaalsContact O-N 3.07Å; D950-S954 PolarHBondContact O-OG 2.84Å
951	I	36.5	Very low	32.7	Very low	102 Å²	102	111 Å²	111	52%	0.523	65%	0.653	S	S	.	*	H	α-helix	trans	-86.1	-25.5	174.9	-60.9	174.1	0	0	0	111.5	I946	I946-I951 HydrophobicContact CG2-CD1 4.13Å; I946-I951 HydrophobicContact CG2-CG1 4.35Å
952	V	33.3	Very low	31.7	Very low	107 Å²	107	115.5 Å²	115.5	65%	0.648	66%	0.662	S	S	*	*	H	α-helix	trans	-85.3	-18.5	179.4	180	0	0	0	0	112.4
953	K	29.6	Very low	31	Very low	170 Å²	170	121.3 Å²	121.3	74%	0.739	69%	0.688	S	S	*	*	S	Bend	trans	-95.1	-9.3	179	-77.5	-179.6	177.1	176.9	0	115
954	S	30.3	Very low	30.6	Very low	81 Å²	81	122.5 Å²	122.5	57%	0.566	68%	0.683	S	S	*	*	S	Bend	trans	-100.3	-6.5	-179.2	46.9	0	0	0	0	114.8	D950	D950-S954 PolarHBondContact O-OG 2.84Å
955	N	31	Very low	30.3	Very low	144 Å²	144	124.1 Å²	124.1	77%	0.77	69%	0.687	S	S	*	*	S	Bend	trans	-119	18.5	179	-83	-11.9	0	0	0	114.5
956	C	24.6	Very low	29.9	Very low	112 Å²	112	124.7 Å²	124.7	76%	0.757	70%	0.701	S	S	*	*	S	Bend	trans	-125	66.6	176.5	-104.6	0	0	0	0	110.4
957	S	24.2	Very low	29.9	Very low	93 Å²	93	125.8 Å²	125.8	65%	0.65	71%	0.707	S	S	*	*			trans	-171.2	98.6	163.5	29.6	0	0	0	0	107.9
958	I	28.5	Very low	29.9	Very low	160 Å²	160	125.5 Å²	125.5	82%	0.821	71%	0.714	S	S	*	*	S	Bend	trans	-177.7	100.6	146.3	-85.9	146	0	0	0	106.2
959	D	27.1	Very low	29.7	Very low	147 Å²	147	125 Å²	125	79%	0.786	72%	0.719	S	S	*	*			trans	47.8	106.2	141.1	-60.5	-22.6	0	0	0	121.2
960	S	24.2	Very low	29.7	Very low	98 Å²	98	129.4 Å²	129.4	69%	0.685	74%	0.74	S	S	*	*			trans	-47.9	149.2	142.9	39.9	0	0	0	0	113.3
961	H	26.5	Very low	29.3	Very low	172 Å²	172	129.4 Å²	129.4	80%	0.796	75%	0.747	S	S	*	*			trans	81.6	92.2	170.4	-59.1	-81.5	0	0	0	118
962	K	28.3	Very low	29	Very low	200 Å²	200	131.1 Å²	131.1	87%	0.87	76%	0.763	S	S	*	*				162.4	142.3	115.9	-89.9	166.7	178.7	176.8	0	111.5
963	L	29.6	Very low	28.7	Very low	171 Å²	171	134.8 Å²	134.8	90%	0.895	77%	0.773	S	S	*	*			trans	100.9	81.5	162.5	-66.1	143.2	0	0	0	118.5
964	L	29	Very low	28.8	Very low	161 Å²	161	132.5 Å²	132.5	84%	0.843	78%	0.778	S	S	*	*			trans	-81.1	173.9	132.3	-83.7	165.9	0	0	0	108.6
965	P	33.5	Very low	28.6	Very low	117 Å²	117	133.3 Å²	133.3	76%	0.76	78%	0.784	S	S	*	*			cis	-152.3	-177.5	26.1	39.6	-16.3	0	0	0	119.7
966	A	28.9	Very low	28.6	Very low	87 Å²	87	133.3 Å²	133.3	72%	0.719	78%	0.784	S	S	*	*			trans	88.9	128.6	149.3	0	0	0	0	0	117.7
967	I	33.8	Very low	28.7	Very low	154 Å²	154	136 Å²	136	79%	0.79	79%	0.786	S	S	*	*			cis	-147.1	123.1	47.3	-72.1	171	0	0	0	112.5
968	S	30.5	Very low	28.9	Very low	103 Å²	103	136.8 Å²	136.8	72%	0.72	79%	0.791	S	S	*	*			trans	48.7	113.8	135.7	-38.2	0	0	0	0	121.9
969	A	30	Very low	29.2	Very low	94 Å²	94	134.2 Å²	134.2	78%	0.777	79%	0.785	S	S	*	*				80.8	125.4	74.4	0	0	0	0	0	112.8
970	T	30.1	Very low	29.2	Very low	146 Å²	146	133.2 Å²	133.2	90%	0.896	78%	0.78	S	S	*	*				-148.6	143.9	58.9	27.2	0	0	0	0	115.5
971	S	27.1	Very low	29.6	Very low	98 Å²	98	137 Å²	137	69%	0.685	79%	0.786	S	S	*	*			trans	-116.4	155.3	175.1	47.2	0	0	0	0	111.2
972	T	30.1	Very low	29.7	Very low	139 Å²	139	132.6 Å²	132.6	85%	0.853	78%	0.779	S	S	*	*			trans	-158.9	96.2	150.4	23.7	0	0	0	0	105.1
973	E	26.6	Very low	29.8	Very low	183 Å²	183	129 Å²	129	86%	0.855	77%	0.774	S	S	*	*				47.5	111.3	77	-75.9	-166.6	172.4	0	0	115.5
974	S	30.5	Very low	29.7	Very low	122 Å²	122	127.7 Å²	127.7	85%	0.853	77%	0.768	S	S	*	*			trans	-149.2	112.1	132.1	63.7	0	0	0	0	109.3
975	S	25.9	Very low	30	Very low	99 Å²	99	125.9 Å²	125.9	69%	0.692	76%	0.763	S	S	*	*			trans	-56.3	153.4	163.7	47	0	0	0	0	113.8
976	D	31.7	Very low	29.9	Very low	143 Å²	143	125.2 Å²	125.2	77%	0.765	76%	0.757	S	S	*	*			trans	-174.2	104.2	132.2	-88.6	-17.1	0	0	0	107
977	Q	27.2	Very low	29.9	Very low	170 Å²	170	127.8 Å²	127.8	79%	0.794	76%	0.759	S	S	*	*				52.3	104.5	89.5	-71.4	-170.2	5.8	0	0	113.4
978	S	27.5	Very low	29.8	Very low	109 Å²	109	127 Å²	127	76%	0.762	76%	0.762	S	S	*	*				153.1	152.1	111.7	-65.3	0	0	0	0	113.4
979	P	35.4	Very low	29.5	Very low	105 Å²	105	127.5 Å²	127.5	68%	0.682	77%	0.765	S	S	*	*			trans	-115.8	-159.9	-159	29.9	-6.2	0	0	0	111.9
980	D	27.6	Very low	29.5	Very low	127 Å²	127	128.2 Å²	128.2	68%	0.679	76%	0.764	S	S	*	*			trans	91.2	117.9	157.9	-52.3	-29.2	0	0	0	119.1
981	H	33.1	Very low	29.3	Very low	178 Å²	178	125.9 Å²	125.9	82%	0.824	75%	0.754	S	S	*	*				158.7	98.5	118.3	-85.6	-63.1	0	0	0	108.3
982	A	27.4	Very low	29.5	Very low	78 Å²	78	128.3 Å²	128.3	65%	0.645	76%	0.759	S	S	*	*				49	105.5	75.8	0	0	0	0	0	112.8
983	T	30.8	Very low	29.3	Very low	124 Å²	124	127.1 Å²	127.1	76%	0.761	76%	0.757	S	S	*	*				171.7	126.9	120.1	28.8	0	0	0	0	112.3
984	N	27.5	Very low	29.4	Very low	144 Å²	144	122.9 Å²	122.9	77%	0.77	75%	0.753	S	S	*	*			trans	48.2	133.7	135.4	-56.2	-18.2	0	0	0	118.7
985	V	34.4	Very low	29.3	Very low	124 Å²	124	122.1 Å²	122.1	75%	0.752	75%	0.748	S	S	*	*				-175.6	120.1	81.4	152.3	0	0	0	0	110.6
986	T	32.2	Very low	29.6	Very low	102 Å²	102	125.8 Å²	125.8	63%	0.626	75%	0.751	S	S	*	*			trans	72.5	120.3	138.8	59.6	0	0	0	0	125.6
987	N	29.3	Very low	29.6	Very low	141 Å²	141	126.2 Å²	126.2	75%	0.754	75%	0.749	S	S	*	*				69.2	134.9	118.5	-56.2	-5.9	0	0	0	118.7
988	T	30.3	Very low	30	Very low	139 Å²	139	124.1 Å²	124.1	85%	0.853	74%	0.743	S	S	*	*			cis	-160.8	148.1	31.4	23.5	0	0	0	0	111.8
989	S	25.4	Very low	30.3	Very low	112 Å²	112	124.1 Å²	124.1	78%	0.783	74%	0.738	S	S	*	*			trans	-94.6	148.3	165.4	49.6	0	0	0	0	112.8
990	S	29.9	Very low	30.2	Very low	109 Å²	109	128.3 Å²	128.3	76%	0.762	75%	0.746	S	S	*	*			trans	176.1	117.1	151.2	52.2	0	0	0	0	107.8
991	S	26.1	Very low	30.5	Very low	98 Å²	98	127.2 Å²	127.2	69%	0.685	75%	0.745	S	S	*	*				41.4	103.1	59.9	69.8	0	0	0	0	114.8
992	D	29.8	Very low	30.4	Very low	148 Å²	148	123.2 Å²	123.2	79%	0.791	74%	0.738	S	S	*	*				159	131.9	123.1	-79.3	-18.4	0	0	0	114.9
993	S	26.2	Very low	30.6	Very low	115 Å²	115	126.2 Å²	126.2	80%	0.804	74%	0.743	S	S	*	*			trans	44.9	126.2	144.4	64.7	0	0	0	0	122.8
994	A	30.1	Very low	30.5	Very low	94 Å²	94	127.6 Å²	127.6	78%	0.777	75%	0.745	S	S	*	*				166.3	112.9	111.6	0	0	0	0	0	114.4
995	S	27.7	Very low	30.6	Very low	106 Å²	106	129.9 Å²	129.9	74%	0.741	75%	0.748	S	S	*	*			trans	20.1	129.3	141.2	61.4	0	0	0	0	123.3
996	K	33	Very low	30.5	Very low	175 Å²	175	128.8 Å²	128.8	76%	0.761	74%	0.743	S	S	*	*				169.7	119.5	106.4	-94.9	-175.1	173	-176.3	0	110.9
997	E	30.8	Very low	30.2	Very low	153 Å²	153	130.9 Å²	130.9	72%	0.715	75%	0.751	S	S	*	*				63.1	125.3	107.9	-81.5	173.8	160.3	0	0	113
998	D	35.8	Very low	30.2	Very low	125 Å²	125	130.1 Å²	130.1	67%	0.668	75%	0.751	S	S	*	*			cis	-168.2	137.3	47.6	-115.6	-32.3	0	0	0	114.3
999	T	32.9	Very low	30	Very low	109 Å²	109	131.6 Å²	131.6	67%	0.669	75%	0.749	S	S	*	*			trans	38.5	148.7	137.3	25.8	0	0	0	0	123.7
1000	K	33.7	Very low	30.1	Very low	194 Å²	194	130.8 Å²	130.8	84%	0.843	74%	0.743	S	S	*	*			cis	-161.5	169	31.1	-108.9	-158.5	-179	159.4	0	111.9
1001	P	35.1	Very low	30	Very low	103 Å²	103	132.2 Å²	132.2	67%	0.669	74%	0.742	S	S	*	*			trans	-137.9	-166.9	-142.5	39.4	-17.1	0	0	0	116.6
1002	S	29.3	Very low	30.1	Very low	95 Å²	95	135.1 Å²	135.1	66%	0.664	75%	0.75	S	S	*	*			trans	85.3	145.8	143.3	85.5	0	0	0	0	117.3
1003	N	31.5	Very low	30	Very low	141 Å²	141	137.3 Å²	137.3	75%	0.754	75%	0.752	S	S	*	*			cis	-162	140.3	12.7	-90.4	-38.2	0	0	0	107.7
1004	L	28.9	Very low	30.1	Very low	152 Å²	152	137 Å²	137	80%	0.796	75%	0.747	S	S	*	*				67.4	106.8	85.5	-139.5	100.6	0	0	0	117
1005	K	30	Very low	29.8	Very low	192 Å²	192	140.5 Å²	140.5	84%	0.835	75%	0.751	S	S	*	*				171.1	152.6	120.4	-97.6	-177.7	178.1	-179.1	0	114.2
1006	P	32.2	Very low	29.7	Very low	101 Å²	101	141 Å²	141	66%	0.656	76%	0.755	S	S	*	*			trans	-106	175.2	-174.2	41.8	-32.4	0	0	0	114.7
1007	D	26.2	Very low	29.3	Very low	146 Å²	146	139.3 Å²	139.3	78%	0.781	75%	0.754	S	S	*	*			trans	72.9	123	160.4	-50	-30.8	0	0	0	119.4
1008	T	28.9	Very low	29	Very low	125 Å²	125	140.6 Å²	140.6	77%	0.767	76%	0.76	S	S	*	*				157.9	114.2	119.8	-54.2	0	0	0	0	112.2
1009	E	27.1	Very low	28.5	Very low	171 Å²	171	139.4 Å²	139.4	80%	0.799	76%	0.761	S	S	*	*			trans	33.5	125.2	143.8	-61.6	-177.5	150.5	0	0	124.1
1010	S	27.1	Very low	28.1	Very low	95 Å²	95	143 Å²	143	66%	0.664	77%	0.77	S	S	*	*				92.1	136.4	123.1	74.8	0	0	0	0	121.7
1011	N	26.6	Very low	27.6	Very low	138 Å²	138	142.6 Å²	142.6	74%	0.738	77%	0.771	S	S	*	*			trans	77.8	98.8	158.3	-59.4	-19.6	0	0	0	117.9
1012	D	30.2	Very low	27.1	Very low	160 Å²	160	142.5 Å²	142.5	86%	0.856	77%	0.772	S	S	*	*				177.6	140.2	88	-89.9	-34.5	0	0	0	112.7
1013	K	26.8	Very low	26.8	Very low	194 Å²	194	144.2 Å²	144.2	84%	0.843	78%	0.778	S	S	*	*			trans	-68	166.4	171.5	-76.8	176.3	177.6	174.9	0	110.6
1014	P	28.1	Very low	26.6	Very low	107 Å²	107	143.2 Å²	143.2	70%	0.695	78%	0.777	S	S	*	*			cis	-144	153.8	25.4	34.1	-10.7	0	0	0	118.6
1015	I	23.9	Very low	26.3	Very low	169 Å²	169	139.7 Å²	139.7	87%	0.867	77%	0.765	S	S	*	*			trans	45.4	94.6	136.4	-48.3	166.1	0	0	0	116.8
1016	S	25.6	Very low	26.2	Very low	116 Å²	116	138 Å²	138	81%	0.811	76%	0.758	S	S	*	*			trans	-126.6	140.9	159	57.1	0	0	0	0	110.6
1017	N	24.1	Very low	25.9	Very low	140 Å²	140	136.8 Å²	136.8	75%	0.749	76%	0.756	S	S	*	*			trans	-50.9	176.6	-178.1	-71.3	-41	0	0	0	114.4
1018	H	25.2	Very low	25.9	Very low	179 Å²	179	136.3 Å²	136.3	83%	0.829	76%	0.759	S	S	*	*			trans	106.4	131.1	168	-56.7	-67.9	0	0	0	113.9
1019	S	25	Very low	25.7	Very low	100 Å²	100	134.2 Å²	134.2	70%	0.699	76%	0.762	S	S	*	*			cis	-167.3	132.9	-20.3	37.3	0	0	0	0	102.9	H1021	S1019-H1021 PolarHBondContact O-N 3.45Å
1020	H	24.3	Very low	25.7	Very low	185 Å²	185	131.4 Å²	131.4	86%	0.856	76%	0.761	S	S	*	*			trans	-49.4	111	-175.3	-78.6	-88.9	0	0	0	112	C1022	H1020-C1022 PolarHBondContact O-N 3.26Å
1021	H	23.4	Very low	25.6	Very low	186 Å²	186	135 Å²	135	86%	0.861	77%	0.773	S	S	*	*			trans	-67.9	97.7	162.1	-136.7	-77.8	0	0	0	106.6	S1019	S1019-H1021 PolarHBondContact O-N 3.45Å
1022	C	23.8	Very low	25.7	Very low	101 Å²	101	135.1 Å²	135.1	68%	0.682	78%	0.778	S	S	*	*			trans	-112.1	101.6	174.8	-91.4	0	0	0	0	109.1	H1020 V1024	H1020-C1022 PolarHBondContact O-N 3.26Å; C1022-V1024 PolarHBondContact O-N 3.26Å
1023	T	23.1	Very low	25.4	Very low	130 Å²	130	131.8 Å²	131.8	80%	0.798	77%	0.773	S	S	*	*			trans	-57.1	118.4	161.8	17.6	0	0	0	0	109.6	S1025	T1023-S1025 PolarHBondContact O-N 2.82Å
1024	V	27.2	Very low	25.5	Very low	120 Å²	120	129.2 Å²	129.2	73%	0.727	77%	0.773	S	S	*	*			trans	-90.3	81.8	169.5	-173.1	0	0	0	0	108	C1022 F1026	C1022-V1024 PolarHBondContact O-N 3.26Å; V1024-F1026 HydrophobicContact CG1-CE2 4.16Å; V1024-F1026 HydrophobicContact CG1-CZ 4.45Å
1025	S	24.5	Very low	25.3	Very low	79 Å²	79	128.6 Å²	128.6	55%	0.552	77%	0.771	S	S	*	*			trans	-76.5	132.2	161.7	72.3	0	0	0	0	108.8	T1023 A1027	T1023-S1025 PolarHBondContact O-N 2.82Å; S1025-A1027 PolarHBondContact O-N 2.67Å; S1025-A1027 PolarHBondContact OG-O 3.38Å
1026	F	27.5	Very low	25.6	Very low	157 Å²	157	128.8 Å²	128.8	69%	0.689	77%	0.768	S	S	*	*	S	Bend	trans	-85.4	52.1	164.5	-75.1	-86.3	0	0	0	109.9	V1024	V1024-F1026 HydrophobicContact CG1-CE2 4.16Å; V1024-F1026 HydrophobicContact CG1-CZ 4.45Å
1027	A	24.7	Very low	25.7	Very low	75 Å²	75	127.8 Å²	127.8	62%	0.62	76%	0.761	S	S	*	*			trans	-164.3	118.1	170.7	0	0	0	0	0	109.2	S1025	S1025-A1027 PolarHBondContact O-N 2.67Å; S1025-A1027 PolarHBondContact OG-O 3.38Å
1028	T	26.6	Very low	26	Very low	136 Å²	136	127.4 Å²	127.4	83%	0.834	76%	0.759	S	S	*	*			trans	-126.5	97.8	159.1	40.5	0	0	0	0	107.8
1029	G	24.5	Very low	26.2	Very low	80 Å²	80	127.4 Å²	127.4	83%	0.825	76%	0.757	S	S	*	*			trans	-65	139.2	166.8	0	0	0	0	0	110.4
1030	S	28.3	Very low	26.4	Very low	112 Å²	112	127.7 Å²	127.7	78%	0.783	76%	0.759	S	S	*	*			trans	-144	101.6	150.1	48.5	0	0	0	0	107.1
1031	N	25.3	Very low	26.7	Very low	172 Å²	172	125.6 Å²	125.6	92%	0.92	76%	0.759	S	S	*	*			trans	-77.4	113.5	162.4	-79.9	-22.8	0	0	0	106.9
1032	V	28.5	Very low	27	Very low	140 Å²	140	124.3 Å²	124.3	85%	0.848	76%	0.759	S	S	*	*			trans	-127.3	115.2	153.3	177.6	0	0	0	0	106.6
1033	A	24.1	Very low	27.5	Very low	89 Å²	89	124.7 Å²	124.7	74%	0.736	76%	0.76	S	S	*	*			trans	-62.3	141.6	-179.7	0	0	0	0	0	112.2
1034	V	28.1	Very low	27.9	Very low	141 Å²	141	128.5 Å²	128.5	86%	0.855	77%	0.766	S	S	*	*			trans	-150	133.4	132.5	-178	0	0	0	0	108.9
1035	S	24.6	Very low	27.9	Very low	93 Å²	93	131.2 Å²	131.2	65%	0.65	77%	0.77	S	S	*	*			trans	-62.1	154	178.8	43.9	0	0	0	0	116.9
1036	E	29.7	Very low	28.1	Very low	174 Å²	174	134.4 Å²	134.4	81%	0.813	78%	0.781	S	S	*	*			trans	156.9	96.8	131.7	-87.5	176.7	174.4	0	0	109
1037	S	28	Very low	28.2	Very low	95 Å²	95	134 Å²	134	66%	0.664	79%	0.787	S	S	*	*				57.7	104.9	95.8	66.4	0	0	0	0	114.8
1038	D	30	Very low	28.4	Very low	131 Å²	131	134.7 Å²	134.7	70%	0.701	79%	0.792	S	S	*	*				-179.4	123.3	94.7	-104.2	-31.2	0	0	0	114.2
1039	K	29.2	Very low	28.6	Very low	179 Å²	179	136.3 Å²	136.3	78%	0.778	80%	0.795	S	S	*	*			trans	53.1	121.5	134.4	-72.2	172.2	-176.4	163.1	0	124.3
1040	S	28.2	Very low	28.9	Very low	107 Å²	107	137.1 Å²	137.1	75%	0.748	79%	0.788	S	S	*	*			trans	81.6	133.9	132.9	80.8	0	0	0	0	116.8
1041	T	31.4	Very low	29	Very low	140 Å²	140	138.9 Å²	138.9	86%	0.859	78%	0.784	S	S	*	*			cis	-159.9	155.8	21.6	-22.6	0	0	0	0	110.2
1042	N	29.9	Very low	29.3	Very low	159 Å²	159	138 Å²	138	85%	0.85	78%	0.779	S	S	*	*			trans	-78.8	172.5	-164.7	-103.3	-6.8	0	0	0	117.2
1043	P	34.4	Very low	29.4	Very low	110 Å²	110	138.8 Å²	138.8	71%	0.714	78%	0.778	S	S	*	*			trans	-111.5	-176.2	-149.4	43.4	-35.1	0	0	0	114.7
1044	K	31.3	Very low	29.7	Very low	210 Å²	210	144.6 Å²	144.6	91%	0.913	78%	0.781	S	S	*	*			trans	-125	127.5	160.9	-82.3	-171	175	-178.2	0	111.6
1045	E	27.9	Very low	29.8	Very low	176 Å²	176	139.9 Å²	139.9	82%	0.822	76%	0.761	S	S	*	*			trans	-65.3	144.5	172.2	-69.7	161.9	125.3	0	0	112.7
1046	N	28.2	Very low	30.1	Very low	146 Å²	146	142.2 Å²	142.2	78%	0.781	77%	0.765	S	S	*	*				169.8	113.2	122.7	-84.1	-17.4	0	0	0	109.4
1047	D	29.8	Very low	30.1	Very low	150 Å²	150	138.5 Å²	138.5	80%	0.802	75%	0.751	S	S	*	*			trans	167.5	52.2	145.2	-83.3	-14.4	0	0	0	111.3	N1049	D1047-N1049 VanDerWaalsContact C-N 3.33Å; D1047-N1049 PolarHBondContact O-N 3.28Å; D1047-N1049 VanDerWaalsContact O-N 3.1Å
1048	A	28.2	Very low	30	Very low	88 Å²	88	141.9 Å²	141.9	73%	0.727	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	70.6	174.8	0	0	0	0	0	110.7
1049	N	30.7	Very low	29.9	Very low	171 Å²	171	144.7 Å²	144.7	91%	0.914	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-153.1	4.3	163.6	-94.1	-29.5	0	0	0	114.3	D1047	D1047-N1049 VanDerWaalsContact C-N 3.33Å; D1047-N1049 PolarHBondContact O-N 3.28Å; D1047-N1049 VanDerWaalsContact O-N 3.1Å
1050	S	30.3	Very low	29.9	Very low	97 Å²	97	141.7 Å²	141.7	68%	0.678	76%	0.759	S	S	*	*	S	Bend	trans	-110.2	-7.5	175.4	-163.3	0	0	0	0	113.4
1051	E	32	Very low	29.9	Very low	148 Å²	148	143.4 Å²	143.4	69%	0.692	75%	0.753	S	S	*	*	S	Bend	trans	-94.4	-15.3	-173.4	-69.2	-167.4	140.5	0	0	114.8	N1053 R1054	E1051-N1053 VanDerWaalsContact C-N 3.29Å; E1051-N1053 PolarHBondContact O-N 3.29Å; E1051-R1054 PolarHBondContact O-N 3.39Å
1052	L	31.9	Very low	29.5	Very low	154 Å²	154	142.1 Å²	142.1	81%	0.806	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-19.5	-175.3	-151	75.5	0	0	0	113.9
1053	N	30.7	Very low	29.6	Very low	157 Å²	157	140 Å²	140	84%	0.84	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-1	172.3	-79.7	-27.8	0	0	0	113.7	E1051	E1051-N1053 VanDerWaalsContact C-N 3.29Å; E1051-N1053 PolarHBondContact O-N 3.29Å
1054	R	30.3	Very low	29.4	Very low	211 Å²	211	140.1 Å²	140.1	80%	0.796	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	-13.3	175.7	-84.2	-179.4	161.7	176	-3.2	113.6	E1051	E1051-R1054 PolarHBondContact O-N 3.39Å
1055	G	29.2	Very low	29.3	Very low	42 Å²	42	137 Å²	137	43%	0.433	74%	0.742	S	S	.	*	G	3₁₀ helix	trans	-84.7	-3.1	-175.4	0	0	0	0	0	117.9
1056	I	29.9	Very low	29.8	Very low	142 Å²	142	133.2 Å²	133.2	73%	0.728	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-96.9	2.9	-174.2	-58.6	174.8	0	0	0	112.8
1057	N	30.2	Very low	30.1	Very low	96 Å²	96	132.4 Å²	132.4	51%	0.513	73%	0.727	S	S	.	*	G	3₁₀ helix	trans	-106.1	17.5	175.3	-72.6	-34.5	0	0	0	113.8	F1059	N1057-F1059 VanDerWaalsContact C-N 3.33Å; N1057-F1059 PolarHBondContact O-N 3.13Å; N1057-F1059 VanDerWaalsContact O-N 3.08Å
1058	E	27	Very low	30.5	Very low	166 Å²	166	130.5 Å²	130.5	78%	0.776	72%	0.721	S	S	*	*			trans	-81.3	72.8	174.5	-76.9	-165.7	144.1	0	0	112
1059	F	26.6	Very low	30.9	Very low	190 Å²	190	134.9 Å²	134.9	83%	0.833	72%	0.724	S	S	*	*			trans	-131.9	123.3	152.6	-73.2	-79.8	0	0	0	108.7	N1057	N1057-F1059 VanDerWaalsContact C-N 3.33Å; N1057-F1059 PolarHBondContact O-N 3.13Å; N1057-F1059 VanDerWaalsContact O-N 3.08Å
1060	T	30.1	Very low	31.4	Very low	115 Å²	115	132.5 Å²	132.5	71%	0.706	71%	0.71	S	S	*	*	S	Bend	trans	87.4	99.3	174.1	27.7	0	0	0	0	121.1
1061	F	27.3	Very low	32.2	Very low	143 Å²	143	132.3 Å²	132.3	63%	0.627	71%	0.705	S	S	*	*			trans	78.3	97.6	149.8	-58.2	-71.2	0	0	0	120.4
1062	S	24.3	Very low	32.6	Very low	113 Å²	113	131.7 Å²	131.7	79%	0.79	70%	0.702	S	S	*	*			trans	-102.4	143	146.1	-170.3	0	0	0	0	108.8
1063	P	30.6	Very low	32.9	Very low	116 Å²	116	130.7 Å²	130.7	75%	0.753	69%	0.691	S	S	*	*				-141.3	152.2	111.6	32.1	-15.1	0	0	0	114.8
1064	S	31.6	Very low	33.3	Very low	111 Å²	111	126.3 Å²	126.3	78%	0.776	68%	0.677	S	S	*	*			trans	-35.1	152.5	167	34.3	0	0	0	0	118.2
1065	N	29.2	Very low	34	Very low	146 Å²	146	120.6 Å²	120.6	78%	0.781	68%	0.675	S	S	*	*	S	Bend	trans	-24.6	160.3	164.4	-97.5	-27.4	0	0	0	117.5
1066	P	37.2	Very low	34.4	Very low	95 Å²	95	128.8 Å²	128.8	62%	0.617	69%	0.692	S	S	*	*			cis	-139.6	77.5	9.5	35.8	-11.7	0	0	0	112.5
1067	L	34.4	Very low	34.7	Very low	129 Å²	129	128.3 Å²	128.3	68%	0.675	69%	0.687	S	S	*	*	S	Bend	trans	-94.7	-15.5	-175.4	-136.5	87.3	0	0	0	114.3	K1069 L1070 V1071	L1067-K1069 PolarHBondContact O-N 3.07Å; L1067-L1070 PolarHBondContact O-N 3.4Å; L1067-V1071 WeakPolarHBondContact O-CG2 3.31Å; L1067-V1071 PolarHBondContact O-N 3.23Å
1068	T	39.6	Very low	35	Very low	111 Å²	111	128.5 Å²	128.5	68%	0.681	70%	0.702	S	S	*	*	H	α-helix	trans	-71.1	-24.4	-174.4	11.2	0	0	0	0	113.8
1069	K	36.5	Very low	35	Very low	180 Å²	180	124 Å²	124	78%	0.783	70%	0.7	S	S	*	*	H	α-helix	trans	-81.7	-22.5	175	-77.5	-174.4	176.9	178.9	0	114.1	L1067	L1067-K1069 PolarHBondContact O-N 3.07Å
1070	L	39.7	Very low	35.2	Very low	120 Å²	120	120.2 Å²	120.2	63%	0.628	70%	0.697	S	S	*	*	H	α-helix	trans	-86.2	-37.3	179.2	-87.7	158.5	0	0	0	112	L1067 Q1072 K1073 A1074	L1067-L1070 PolarHBondContact O-N 3.4Å; L1070-Q1072 VanDerWaalsContact C-N 3.3Å; L1070-Q1072 PolarHBondContact O-N 2.91Å; L1070-K1073 PolarHBondContact O-N 3.07Å; L1070-A1074 WeakPolarHBondContact O-CB 3.49Å; L1070-A1074 PolarHBondContact O-N 3.41Å
1071	V	47.5	Very low	35.1	Very low	94 Å²	94	123.8 Å²	123.8	57%	0.57	70%	0.703	S	S	*	*	H	α-helix	trans	-65.5	-35.1	175.8	176.4	0	0	0	0	111.4	L1067 K1073 A1075	L1067-V1071 WeakPolarHBondContact O-CG2 3.31Å; L1067-V1071 PolarHBondContact O-N 3.23Å; V1071-K1073 VanDerWaalsContact C-N 3.33Å; V1071-K1073 PolarHBondContact O-N 3.13Å; V1071-A1075 WeakPolarHBondContact O-CB 3.31Å; V1071-A1075 PolarHBondContact O-N 2.83Å; V1071-A1075 VanDerWaalsContact O-N 3.13Å
1072	Q	41.7	Very low	35.2	Very low	135 Å²	135	124.8 Å²	124.8	63%	0.631	71%	0.71	S	S	*	*	H	α-helix	trans	-76.3	-19.3	177.8	-139.1	171.5	18.1	0	0	113.5	L1070	L1070-Q1072 VanDerWaalsContact C-N 3.3Å; L1070-Q1072 PolarHBondContact O-N 2.91Å
1073	K	37.4	Very low	35.7	Very low	132 Å²	132	128.3 Å²	128.3	57%	0.574	71%	0.714	S	S	*	*	H	α-helix	trans	-87.8	-38.1	175.2	-157.9	177.4	-177.9	-174.9	0	111.4	L1070 V1071 A1075 R1076	L1070-K1073 PolarHBondContact O-N 3.07Å; V1071-K1073 VanDerWaalsContact C-N 3.33Å; V1071-K1073 PolarHBondContact O-N 3.13Å; K1073-A1075 VanDerWaalsContact C-N 3.34Å; K1073-A1075 PolarHBondContact O-N 2.92Å; K1073-R1076 PolarHBondContact O-N 2.95Å
1074	A	40.2	Very low	35.8	Very low	66 Å²	66	132.8 Å²	132.8	55%	0.545	72%	0.717	S	S	.	*	H	α-helix	trans	-67	-31.4	173.5	0	0	0	0	0	113	L1070 R1076	L1070-A1074 WeakPolarHBondContact O-CB 3.49Å; L1070-A1074 PolarHBondContact O-N 3.41Å; A1074-R1076 PolarHBondContact O-N 3.13Å
1075	A	43.5	Very low	36	Very low	90 Å²	90	132.8 Å²	132.8	74%	0.744	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-7.7	175.9	0	0	0	0	0	114.6	V1071 K1073	V1071-A1075 WeakPolarHBondContact O-CB 3.31Å; V1071-A1075 PolarHBondContact O-N 2.83Å; V1071-A1075 VanDerWaalsContact O-N 3.13Å; K1073-A1075 VanDerWaalsContact C-N 3.34Å; K1073-A1075 PolarHBondContact O-N 2.92Å
1076	R	37.9	Very low	36.4	Very low	214 Å²	214	132.9 Å²	132.9	81%	0.808	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	-9.4	179.9	-73.8	-177.9	173.3	174.7	-1.1	113.8	K1073 A1074	K1073-R1076 PolarHBondContact O-N 2.95Å; A1074-R1076 PolarHBondContact O-N 3.13Å
1077	E	37.1	Very low	36.2	Very low	132 Å²	132	134.2 Å²	134.2	62%	0.617	71%	0.71	S	S	*	*	S	Bend	trans	-129.2	110.3	-172.2	-67.4	173.5	-172.1	0	0	108.8
1078	A	35.5	Very low	36.2	Very low	101 Å²	101	137.1 Å²	137.1	84%	0.835	72%	0.717	S	S	*	*			trans	75.1	121.5	174	0	0	0	0	0	115.8
1079	G	28.5	Very low	36.1	Very low	70 Å²	70	135.2 Å²	135.2	72%	0.722	71%	0.712	S	S	*	*			cis	86.5	87.1	23.5	0	0	0	0	0	110.4
1080	S	28.8	Very low	36	Very low	112 Å²	112	132.5 Å²	132.5	78%	0.783	70%	0.702	S	S	*	*	S	Bend	trans	66	116.6	162	178.4	0	0	0	0	116.9
1081	K	29.4	Very low	35.6	Very low	190 Å²	190	132.3 Å²	132.3	83%	0.826	71%	0.708	S	S	*	*			trans	95.8	75.4	168.6	-55.8	174	178	177.9	0	117.5
1082	E	29.9	Very low	35	Very low	164 Å²	164	130.5 Å²	130.5	77%	0.766	71%	0.709	S	S	*	*			trans	-137.2	79.2	166	-77.6	-167.7	142.1	0	0	113.5
1083	E	33	Very low	34.8	Very low	187 Å²	187	133.2 Å²	133.2	87%	0.874	71%	0.713	S	S	*	*	S	Bend	trans	-116.8	2.2	155.6	-157.9	167.7	-166.3	0	0	111.3
1084	Y	33.2	Very low	34.9	Very low	209 Å²	209	129.8 Å²	129.8	82%	0.82	70%	0.7	S	S	*	*	S	Bend	trans	-119.1	-11.4	-169.6	-147.5	-100.4	0	0	0	115.4
1085	L	36.1	Very low	35.3	Very low	111 Å²	111	129.8 Å²	129.8	58%	0.581	69%	0.693	S	S	*	*	S	Bend	trans	-103.1	-16.6	-175.3	-68.2	175.5	0	0	0	115.1	N1087	L1085-N1087 VanDerWaalsContact C-N 3.27Å; L1085-N1087 PolarHBondContact O-N 3.38Å
1086	L	37.4	Very low	35.6	Very low	149 Å²	149	131.6 Å²	131.6	78%	0.78	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-19.8	176.2	-136.4	90.2	0	0	0	113.4
1087	N	34	Very low	36.4	Very low	123 Å²	123	123.1 Å²	123.1	66%	0.658	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-7.8	-174.6	-79.2	-21.4	0	0	0	114.8	L1085	L1085-N1087 VanDerWaalsContact C-N 3.27Å; L1085-N1087 PolarHBondContact O-N 3.38Å
1088	K	33.5	Very low	37.4	Very low	190 Å²	190	122.6 Å²	122.6	83%	0.826	65%	0.651	S	S	*	*	S	Bend	trans	-106.5	-6.8	-170.8	-134.1	176.1	-176.4	178.7	0	115.5
1089	A	36.9	Very low	38.4	Very low	71 Å²	71	126.2 Å²	126.2	59%	0.587	64%	0.643	S	S	*	*	S	Bend	trans	-87.6	-28	-170.2	0	0	0	0	0	115.5
1090	H	35	Very low	39.8	Very low	123 Å²	123	129.6 Å²	129.6	57%	0.569	63%	0.634	S	S	*	*			trans	-156.4	103.5	177.6	-72.4	-57.4	0	0	0	113.6	G1092 R1093	H1090-G1092 PolarHBondContact O-N 3.02Å; H1090-R1093 HydrophobicContact CB-CB 4.32Å; H1090-R1093 PolarHBondContact O-N 3.26Å
1091	P	31.9	Very low	41.7	Very low	115 Å²	115	126.5 Å²	126.5	75%	0.747	61%	0.608	S	S	*	*	H	α-helix	trans	-66.6	-18.7	179.4	23.2	-30.4	0	0	0	114.2
1092	G	35.1	Very low	43.8	Very low	57 Å²	57	123.3 Å²	123.3	59%	0.588	60%	0.596	S	S	*	*	H	α-helix	trans	-84.3	-15.4	179.5	0	0	0	0	0	116	H1090 T1095	H1090-G1092 PolarHBondContact O-N 3.02Å; G1092-T1095 PolarHBondContact O-OG1 3.34Å
1093	R	37.2	Very low	46	Very low	191 Å²	191	115.7 Å²	115.7	72%	0.721	56%	0.561	S	S	*	*	H	α-helix	trans	-88.2	-27.5	-179.2	-117.1	179.5	-167.5	172.6	4.6	112.8	H1090 T1095 T1097	H1090-R1093 HydrophobicContact CB-CB 4.32Å; H1090-R1093 PolarHBondContact O-N 3.26Å; R1093-T1095 PolarHBondContact O-N 3.25Å; R1093-T1097 PolarHBondContact O-OG1 3.38Å
1094	I	38	Very low	48.3	Very low	60 Å²	60	106.8 Å²	106.8	31%	0.308	52%	0.519	S	S	.	.	H	α-helix	trans	-67.8	-34.9	-176.8	-63.3	170.3	0	0	0	111.3	R1096 T1097 Q1098	I1094-R1096 PolarHBondContact O-N 3.49Å; I1094-T1097 PolarHBondContact O-N 2.94Å; I1094-Q1098 HydrophobicContact CG2-CG 4.18Å; I1094-Q1098 WeakPolarHBondContact O-CB 3.33Å; I1094-Q1098 WeakPolarHBondContact O-CG 3.32Å; I1094-Q1098 PolarHBondContact O-N 2.91Å
1095	T	49.9	Very low	50.8	Low	66 Å²	66	99.9 Å²	99.9	41%	0.405	50%	0.499	S	S	.	.	H	α-helix	trans	-68.4	-35.9	-177	52.9	0	0	0	0	113.8	G1092 R1093 R1099	G1092-T1095 PolarHBondContact O-OG1 3.34Å; R1093-T1095 PolarHBondContact O-N 3.25Å; T1095-R1099 WeakPolarHBondContact O-CB 3.36Å; T1095-R1099 WeakPolarHBondContact O-CG 3.41Å; T1095-R1099 PolarHBondContact O-N 3.38Å; T1095-R1099 VanDerWaalsContact O-N 3.1Å
1096	R	50.3	Low	53.2	Low	129 Å²	129	100.2 Å²	100.2	49%	0.487	49%	0.492	S	S	.	.	H	α-helix	trans	-71.7	-37.8	178.4	-80.1	-174.1	178.2	170.4	1.2	112.4	I1094 R1099 R1100	I1094-R1096 PolarHBondContact O-N 3.49Å; R1096-R1099 PolarHBondContact O-N 3.2Å; R1096-R1100 PolarHBondContact O-N 3.14Å; R1096-R1100 VanDerWaalsContact O-N 3.16Å
1097	T	54.6	Low	55.5	Low	36 Å²	36	93.2 Å²	93.2	22%	0.221	46%	0.455	C	S	.	.	H	α-helix	trans	-73.7	-41.6	-179.5	-36.7	0	0	0	0	111.3	R1093 I1094 R1099 R1100 L1101 Y1137	R1093-T1097 PolarHBondContact O-OG1 3.38Å; I1094-T1097 PolarHBondContact O-N 2.94Å; T1097-R1099 VanDerWaalsContact C-N 3.31Å; T1097-R1099 PolarHBondContact O-N 3.43Å; T1097-R1100 PolarHBondContact O-N 3.03Å; T1097-L1101 PolarHBondContact O-N 2.66Å; T1097-Y1137 HydrophobicContact CG2-CD1 3.29Å; T1097-Y1137 HydrophobicContact CG2-CD2 4.14Å; T1097-Y1137 HydrophobicContact CG2-CE1 3.54Å; T1097-Y1137 HydrophobicContact CG2-CE2 4.33Å; T1097-Y1137 HydrophobicContact CG2-CG 3.62Å
1098	Q	56.9	Low	58.1	Low	120 Å²	120	87.9 Å²	87.9	56%	0.561	43%	0.427	S	S	*	.	H	α-helix	trans	-59.7	-40.4	171.5	-76.3	175.8	-29.4	0	0	112	I1094 L1101 H1102	I1094-Q1098 HydrophobicContact CG2-CG 4.18Å; I1094-Q1098 WeakPolarHBondContact O-CB 3.33Å; I1094-Q1098 WeakPolarHBondContact O-CG 3.32Å; I1094-Q1098 PolarHBondContact O-N 2.91Å; Q1098-L1101 PolarHBondContact O-N 3.19Å; Q1098-H1102 WeakPolarHBondContact O-CB 3.5Å; Q1098-H1102 PolarHBondContact O-N 3.25Å
1099	R	56.3	Low	60.8	Low	177 Å²	177	83 Å²	83	67%	0.668	41%	0.407	S	S	*	.	H	α-helix	trans	-60.8	-44.2	174.7	-78.7	174.3	-174.5	-176.6	2.1	112.3	T1095 R1096 T1097 H1102 C1103	T1095-R1099 WeakPolarHBondContact O-CB 3.36Å; T1095-R1099 WeakPolarHBondContact O-CG 3.41Å; T1095-R1099 PolarHBondContact O-N 3.38Å; T1095-R1099 VanDerWaalsContact O-N 3.1Å; R1096-R1099 PolarHBondContact O-N 3.2Å; T1097-R1099 VanDerWaalsContact C-N 3.31Å; T1097-R1099 PolarHBondContact O-N 3.43Å; R1099-H1102 WeakPolarHBondContact O-CB 3.38Å; R1099-H1102 PolarHBondContact O-N 3.2Å; R1099-C1103 PolarHBondContact O-N 2.96Å; R1099-C1103 PolarHBondContact O-SG 3.07Å
1100	R	59.1	Low	63.2	Low	142 Å²	142	81.3 Å²	81.3	54%	0.536	39%	0.388	S	S	.	.	H	α-helix	trans	-64.6	-40.1	177.8	-73.6	-178.1	175.4	-177	-2.6	112.7	R1096 T1097 C1103 A1104 Y1141	R1096-R1100 PolarHBondContact O-N 3.14Å; R1096-R1100 VanDerWaalsContact O-N 3.16Å; T1097-R1100 PolarHBondContact O-N 3.03Å; R1100-C1103 WeakPolarHBondContact O-CB 3.26Å; R1100-C1103 PolarHBondContact O-N 3Å; R1100-A1104 PolarHBondContact O-N 3.28Å; R1100-A1104 VanDerWaalsContact O-N 3.15Å; R1100-Y1141 HydrophobicContact CB-CD2 4.39Å; R1100-Y1141 VanDerWaalsContact O-CD2 3.31Å; R1100-Y1141 WeakPolarHBondContact O-CD2 3.44Å; R1100-Y1141 VanDerWaalsContact O-CE2 3.24Å; R1100-Y1141 WeakPolarHBondContact O-CE2 3.45Å
1101	L	68.2	Low	65.8	Low	47 Å²	47	75.6 Å²	75.6	25%	0.246	36%	0.362	C	S	.	.	H	α-helix	trans	-64.3	-40.7	173.8	-83.9	151	0	0	0	111.6	T1097 Q1098 C1103 A1104 V1105	T1097-L1101 PolarHBondContact O-N 2.66Å; Q1098-L1101 PolarHBondContact O-N 3.19Å; L1101-C1103 VanDerWaalsContact C-N 3.34Å; L1101-C1103 PolarHBondContact O-N 3.29Å; L1101-A1104 WeakPolarHBondContact O-CB 3.39Å; L1101-A1104 PolarHBondContact O-N 3.22Å; L1101-V1105 WeakPolarHBondContact O-CG2 3.49Å; L1101-V1105 PolarHBondContact O-N 2.88Å
1102	H	73.8	Confident	68.6	Low	122 Å²	122	76.3 Å²	76.3	57%	0.565	35%	0.349	S	S	*	.	H	α-helix	trans	-59.7	-42	174.5	-176	-84.5	0	0	0	112.4	Q1098 R1099 A1104 V1105 R1106	Q1098-H1102 WeakPolarHBondContact O-CB 3.5Å; Q1098-H1102 PolarHBondContact O-N 3.25Å; R1099-H1102 WeakPolarHBondContact O-CB 3.38Å; R1099-H1102 PolarHBondContact O-N 3.2Å; H1102-A1104 PolarHBondContact O-N 2.9Å; H1102-V1105 PolarHBondContact O-N 2.9Å; H1102-R1106 PolarHBondContact O-N 3.31Å
1103	C	75.8	Confident	71.2	Confident	5 Å²	5	78.7 Å²	78.7	3%	0.034	35%	0.353	C	S	.	.	H	α-helix	trans	-58.7	-46	173.2	-60.9	0	0	0	0	112	A897 D898 R1099 R1100 L1101 V1105 R1106 L1107	A897-C1103 PolarHBondContact O-SG 3.17Å; D898-C1103 VanDerWaalsContact O-CB 3.32Å; D898-C1103 WeakPolarHBondContact O-CB 3.44Å; R1099-C1103 PolarHBondContact O-N 2.96Å; R1099-C1103 PolarHBondContact O-SG 3.07Å; R1100-C1103 WeakPolarHBondContact O-CB 3.26Å; R1100-C1103 PolarHBondContact O-N 3Å; L1101-C1103 VanDerWaalsContact C-N 3.34Å; L1101-C1103 PolarHBondContact O-N 3.29Å; C1103-V1105 PolarHBondContact O-N 3.35Å; C1103-R1106 PolarHBondContact O-N 3.3Å; C1103-L1107 WeakPolarHBondContact O-CB 3.42Å; C1103-L1107 PolarHBondContact O-N 3.44Å
1104	A	82.1	Confident	73.6	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-62.1	-42.5	178.2	0	0	0	0	0	112.2	R1100 L1101 H1102 L1107 N1108 Y1141 T1144	R1100-A1104 PolarHBondContact O-N 3.28Å; R1100-A1104 VanDerWaalsContact O-N 3.15Å; L1101-A1104 WeakPolarHBondContact O-CB 3.39Å; L1101-A1104 PolarHBondContact O-N 3.22Å; H1102-A1104 PolarHBondContact O-N 2.9Å; A1104-L1107 PolarHBondContact O-N 3.41Å; A1104-N1108 VanDerWaalsContact O-CB 3.25Å; A1104-N1108 WeakPolarHBondContact O-CB 3.39Å; A1104-N1108 PolarHBondContact O-N 3.08Å; A1104-Y1141 HydrophobicContact CB-CD2 3.67Å; A1104-Y1141 HydrophobicContact CB-CE2 3.66Å; A1104-Y1141 HydrophobicContact CB-CG 4.14Å; A1104-T1144 HydrophobicContact CB-CG2 3.84Å
1105	V	85.9	Confident	76.2	Confident	64 Å²	64	69.5 Å²	69.5	39%	0.388	32%	0.316	S	S	.	.	H	α-helix	trans	-59.8	-47.9	175.7	173.7	0	0	0	0	110.3	L1101 H1102 C1103 L1107 N1108 E1109 T1144	L1101-V1105 WeakPolarHBondContact O-CG2 3.49Å; L1101-V1105 PolarHBondContact O-N 2.88Å; H1102-V1105 PolarHBondContact O-N 2.9Å; C1103-V1105 PolarHBondContact O-N 3.35Å; V1105-L1107 PolarHBondContact O-N 3.13Å; V1105-N1108 PolarHBondContact O-N 3.22Å; V1105-E1109 WeakPolarHBondContact O-CG 3.3Å; V1105-E1109 PolarHBondContact O-N 3.49Å; V1105-T1144 HydrophobicContact CB-CG2 4.43Å; V1105-T1144 HydrophobicContact CG2-CG2 3.53Å
1106	R	84.6	Confident	77.9	Confident	118 Å²	118	69.9 Å²	69.9	45%	0.445	32%	0.322	S	S	.	.	H	α-helix	trans	-64.4	-41.3	-177.9	-171.8	55.6	171.8	177.6	0.7	112.8	M894 D898 H1102 C1103 E1109 L1110	M894-R1106 HydrophobicContact CE-CG 4.25Å; D898-R1106 HydrophobicContact CB-CG 4.44Å; H1102-R1106 PolarHBondContact O-N 3.31Å; C1103-R1106 PolarHBondContact O-N 3.3Å; R1106-E1109 WeakPolarHBondContact CD-OE2 3.37Å; R1106-E1109 IonicContact CZ-OE2 3.32Å; R1106-E1109 IonicContact NH1-OE2 3.5Å; R1106-E1109 PolarHBondContact NH1-OE2 3.1Å; R1106-E1109 PolarHBondContact O-N 3.23Å; R1106-L1110 PolarHBondContact O-N 3.11Å
1107	L	85.8	Confident	79.6	Confident	1 Å²	1	72.1 Å²	72.1	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-68	-38.6	176.1	-170.3	63.8	0	0	0	111	I832 M894 Y902 C1103 A1104 V1105 L1110 L1111 L1145	I832-L1107 HydrophobicContact CD1-CD1 4.49Å; I832-L1107 HydrophobicContact CD1-CD2 3.78Å; M894-L1107 HydrophobicContact CE-CD1 4.07Å; M894-L1107 HydrophobicContact SD-CD1 3.67Å; Y902-L1107 HydrophobicContact CE2-CD2 3.94Å; C1103-L1107 WeakPolarHBondContact O-CB 3.42Å; C1103-L1107 PolarHBondContact O-N 3.44Å; A1104-L1107 PolarHBondContact O-N 3.41Å; V1105-L1107 PolarHBondContact O-N 3.13Å; L1107-L1110 PolarHBondContact O-N 3.24Å; L1107-L1111 HydrophobicContact CG-CD1 4.14Å; L1107-L1111 WeakPolarHBondContact O-CD1 3.49Å; L1107-L1111 PolarHBondContact O-N 3.43Å; L1107-L1145 HydrophobicContact CB-CD1 3.83Å; L1107-L1145 HydrophobicContact CD2-CD1 3.35Å; L1107-L1145 HydrophobicContact CD2-CD2 4.49Å; L1107-L1145 HydrophobicContact CG-CD1 3.58Å
1108	N	90.2	Very high	81.3	Confident	11 Å²	11	70.8 Å²	70.8	6%	0.059	33%	0.33	C	S	.	.	H	α-helix	trans	-65.4	-39.6	175.1	-171.3	22.7	0	0	0	112.5	A1104 V1105 L1110 L1111 R1112 T1144 L1145 D1147	A1104-N1108 VanDerWaalsContact O-CB 3.25Å; A1104-N1108 WeakPolarHBondContact O-CB 3.39Å; A1104-N1108 PolarHBondContact O-N 3.08Å; V1105-N1108 PolarHBondContact O-N 3.22Å; N1108-L1110 PolarHBondContact O-N 3.04Å; N1108-L1111 PolarHBondContact O-N 3.26Å; N1108-R1112 WeakPolarHBondContact O-CB 3.31Å; N1108-R1112 WeakPolarHBondContact O-CG 3.18Å; N1108-R1112 PolarHBondContact O-N 3.21Å; N1108-R1112 WeakPolarHBondContact OD1-CG 3.28Å; N1108-T1144 VanDerWaalsContact CB-O 3.28Å; N1108-T1144 WeakPolarHBondContact CB-O 3.07Å; N1108-T1144 VanDerWaalsContact CG-O 3.24Å; N1108-T1144 PolarHBondContact ND2-O 3.04Å; N1108-L1145 PolarHBondContact OD1-O 3.21Å; N1108-D1147 PolarHBondContact ND2-O 3.4Å; N1108-D1147 PolarHBondContact OD1-O 3.05Å
1109	E	89	Confident	82.9	Confident	88 Å²	88	66 Å²	66	41%	0.411	31%	0.308	S	S	.	.	H	α-helix	trans	-54.2	-43.1	173.5	-76	173.8	176.5	0	0	111.3	V1105 R1106 T1113	V1105-E1109 WeakPolarHBondContact O-CG 3.3Å; V1105-E1109 PolarHBondContact O-N 3.49Å; R1106-E1109 WeakPolarHBondContact CD-OE2 3.37Å; R1106-E1109 IonicContact CZ-OE2 3.32Å; R1106-E1109 IonicContact NH1-OE2 3.5Å; R1106-E1109 PolarHBondContact NH1-OE2 3.1Å; R1106-E1109 PolarHBondContact O-N 3.23Å; E1109-T1113 WeakPolarHBondContact O-CB 3.14Å; E1109-T1113 PolarHBondContact O-N 3.17Å; E1109-T1113 PolarHBondContact O-OG1 3.14Å
1110	L	87	Confident	84.6	Confident	36 Å²	36	57.6 Å²	57.6	19%	0.188	28%	0.277	C	S	.	.	H	α-helix	trans	-68.1	-47.7	176.4	-70.7	171.4	0	0	0	112.4	W830 V892 M894 R1106 L1107 N1108 R1112 T1113 H1114	W830-L1110 HydrophobicContact CH2-CB 4.35Å; V892-L1110 HydrophobicContact CG1-CD1 4.25Å; M894-L1110 HydrophobicContact CE-CD1 3.47Å; M894-L1110 VanDerWaalsContact CE-CD1 3.47Å; M894-L1110 HydrophobicContact CG-CD1 3.84Å; M894-L1110 HydrophobicContact SD-CD1 3.4Å; M894-L1110 WeakPolarHBondContact SD-CD1 3.33Å; R1106-L1110 PolarHBondContact O-N 3.11Å; L1107-L1110 PolarHBondContact O-N 3.24Å; N1108-L1110 PolarHBondContact O-N 3.04Å; L1110-R1112 VanDerWaalsContact C-N 3.29Å; L1110-R1112 PolarHBondContact O-N 2.8Å; L1110-T1113 PolarHBondContact O-N 3.32Å; L1110-T1113 VanDerWaalsContact O-N 3.15Å; L1110-H1114 PolarHBondContact O-CD2 2.66Å; L1110-H1114 PolarHBondContact O-N 3.49Å; L1110-H1114 VanDerWaalsContact O-N 3.1Å
1111	L	89.5	Confident	86.3	Confident	2 Å²	2	51 Å²	51	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-54.2	-46.6	175.5	-83.7	149.3	0	0	0	111.1	W830 L1107 N1108 S1115 V1121 L1145 L1149	W830-L1111 HydrophobicContact CD2-CD2 3.78Å; W830-L1111 HydrophobicContact CD2-CG 4.31Å; W830-L1111 HydrophobicContact CG-CD2 3.74Å; W830-L1111 HydrophobicContact CZ2-CD2 4.36Å; W830-L1111 HydrophobicContact CZ2-CG 4.46Å; L1107-L1111 HydrophobicContact CG-CD1 4.14Å; L1107-L1111 WeakPolarHBondContact O-CD1 3.49Å; L1107-L1111 PolarHBondContact O-N 3.43Å; N1108-L1111 PolarHBondContact O-N 3.26Å; L1111-S1115 WeakPolarHBondContact O-CA 3.39Å; L1111-S1115 WeakPolarHBondContact O-CB 3.31Å; L1111-S1115 PolarHBondContact O-N 3.22Å; L1111-V1121 HydrophobicContact CD2-CG1 3.92Å; L1111-L1145 HydrophobicContact CD1-CD1 3.52Å; L1111-L1145 HydrophobicContact CD1-CG 4.26Å; L1111-L1149 HydrophobicContact CB-CD1 4.28Å; L1111-L1149 HydrophobicContact CD2-CD1 4.39Å
1112	R	90.5	Very high	87.5	Confident	130 Å²	130	48.7 Å²	48.7	49%	0.491	24%	0.24	S	C	.	.	H	α-helix	trans	-66.4	-40.7	177.2	-72.3	-177.5	65.2	-175.2	-2.1	112.5	N1108 L1110 H1114 S1116 D1147	N1108-R1112 WeakPolarHBondContact O-CB 3.31Å; N1108-R1112 WeakPolarHBondContact O-CG 3.18Å; N1108-R1112 PolarHBondContact O-N 3.21Å; N1108-R1112 WeakPolarHBondContact OD1-CG 3.28Å; L1110-R1112 VanDerWaalsContact C-N 3.29Å; L1110-R1112 PolarHBondContact O-N 2.8Å; R1112-H1114 VanDerWaalsContact C-N 3.31Å; R1112-H1114 PolarHBondContact O-N 3.39Å; R1112-S1116 WeakPolarHBondContact O-CB 3.34Å; R1112-S1116 PolarHBondContact O-N 3Å; R1112-S1116 PolarHBondContact O-OG 2.88Å; R1112-D1147 WeakPolarHBondContact CD-O 3.49Å
1113	T	90	Very high	88.4	Confident	108 Å²	108	43 Å²	43	66%	0.663	21%	0.214	S	C	*	.	H	α-helix	trans	-62.1	-38.6	-178.6	-60.1	0	0	0	0	112.1	E1109 L1110	E1109-T1113 WeakPolarHBondContact O-CB 3.14Å; E1109-T1113 PolarHBondContact O-N 3.17Å; E1109-T1113 PolarHBondContact O-OG1 3.14Å; L1110-T1113 PolarHBondContact O-N 3.32Å; L1110-T1113 VanDerWaalsContact O-N 3.15Å
1114	H	89	Confident	89.2	Confident	57 Å²	57	42.9 Å²	42.9	26%	0.264	21%	0.213	S	C	.	.	H	α-helix	trans	-99.8	-27.3	-175.7	-71	-92.9	0	0	0	114.3	W830 R858 F860 E890 L1110 R1112	W830-H1114 HydrophobicContact CH2-CB 4.43Å; W830-H1114 HydrophobicContact CZ2-CB 3.96Å; R858-H1114 PolarHBondContact NH2-O 3.22Å; F860-H1114 HydrophobicContact CE1-CB 4Å; F860-H1114 AromaticContact CE1-ND1 3.92Å; F860-H1114 HydrophobicContact CZ-CB 4.1Å; E890-H1114 IonicContact OE1-CE1 2.69Å; E890-H1114 PolarHBondContact OE1-CE1 2.92Å; E890-H1114 IonicContact OE1-ND1 3.05Å; L1110-H1114 PolarHBondContact O-CD2 2.66Å; L1110-H1114 PolarHBondContact O-N 3.49Å; L1110-H1114 VanDerWaalsContact O-N 3.1Å; R1112-H1114 VanDerWaalsContact C-N 3.31Å; R1112-H1114 PolarHBondContact O-N 3.39Å
1115	S	91	Very high	89.5	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-123	9.4	-167.4	-58.3	0	0	0	0	114.8	D828 W830 L1111 E1117 S1118	D828-S1115 WeakPolarHBondContact OD2-CA 3.17Å; D828-S1115 WeakPolarHBondContact OD2-CB 3.48Å; D828-S1115 PolarHBondContact OD2-OG 3.46Å; W830-S1115 PolarHBondContact NE1-OG 2.78Å; L1111-S1115 WeakPolarHBondContact O-CA 3.39Å; L1111-S1115 WeakPolarHBondContact O-CB 3.31Å; L1111-S1115 PolarHBondContact O-N 3.22Å; S1115-E1117 PolarHBondContact O-N 3.44Å; S1115-S1118 WeakPolarHBondContact O-CB 3.38Å; S1115-S1118 PolarHBondContact O-N 3.12Å; S1115-S1118 VanDerWaalsContact O-N 3.08Å; S1115-S1118 PolarHBondContact O-OG 3.02Å
1116	S	86.4	Confident	89.4	Confident	74 Å²	74	40.3 Å²	40.3	52%	0.517	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-33.3	177	56.2	0	0	0	0	114.1	R1112	R1112-S1116 WeakPolarHBondContact O-CB 3.34Å; R1112-S1116 PolarHBondContact O-N 3Å; R1112-S1116 PolarHBondContact O-OG 2.88Å
1117	E	86.7	Confident	89.1	Confident	176 Å²	176	35.3 Å²	35.3	82%	0.822	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.1	3.1	179.2	-61.4	-174.6	167.6	0	0	113.2	S1115	S1115-E1117 PolarHBondContact O-N 3.44Å
1118	S	89.5	Confident	88.8	Confident	8 Å²	8	36 Å²	36	6%	0.056	19%	0.187	C	C	.	.			trans	-73.8	147.5	-178.1	70.1	0	0	0	0	111.9	D828 S1115 V1121	D828-S1118 WeakPolarHBondContact OD2-CB 3.11Å; S1115-S1118 WeakPolarHBondContact O-CB 3.38Å; S1115-S1118 PolarHBondContact O-N 3.12Å; S1115-S1118 VanDerWaalsContact O-N 3.08Å; S1115-S1118 PolarHBondContact O-OG 3.02Å; S1118-V1121 WeakPolarHBondContact OG-CG2 3.01Å
1119	D	90.2	Very high	87.8	Confident	20 Å²	20	37.4 Å²	37.4	11%	0.107	20%	0.198	C	C	.	.	S	Bend	trans	-80.7	-21.2	176.4	-82.1	-43.2	0	0	0	112.4	M823 G825 N826 W852 R1151	M823-D1119 HydrophobicContact CE-CB 4.3Å; M823-D1119 WeakPolarHBondContact CE-OD1 3.26Å; G825-D1119 WeakPolarHBondContact CA-OD2 3.42Å; G825-D1119 PolarHBondContact N-OD2 3.47Å; N826-D1119 PolarHBondContact O-N 2.76Å; W852-D1119 HydrophobicContact CZ3-CB 4.06Å; D1119-R1151 WeakPolarHBondContact O-CB 3.03Å; D1119-R1151 VanDerWaalsContact O-CD 3.28Å; D1119-R1151 WeakPolarHBondContact O-CD 3.14Å; D1119-R1151 PolarHBondContact O-NE 3.01Å; D1119-R1151 IonicContact OD1-NH2 3.9Å; D1119-R1151 PolarHBondContact OD1-NH2 3.03Å
1120	L	92.7	Very high	86.7	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	129.3	174.2	179.3	65.3	0	0	0	109.4	F815 N826 V827 D828 L846 W852 I1122 R1151 L1153	F815-L1120 HydrophobicContact CE1-CD1 3.72Å; F815-L1120 HydrophobicContact CZ-CD1 3.67Å; N826-L1120 PolarHBondContact O-N 2.7Å; V827-L1120 HydrophobicContact CG1-CB 4.34Å; V827-L1120 HydrophobicContact CG1-CD2 4.26Å; V827-L1120 HydrophobicContact CG2-CB 4.35Å; D828-L1120 PolarHBondContact N-O 3.08Å; L846-L1120 HydrophobicContact CD2-CD2 3.2Å; W852-L1120 HydrophobicContact CH2-CB 3.81Å; W852-L1120 HydrophobicContact CH2-CD2 4.13Å; W852-L1120 HydrophobicContact CH2-CG 4.44Å; W852-L1120 HydrophobicContact CZ2-CD2 4.44Å; W852-L1120 HydrophobicContact CZ3-CB 3.71Å; W852-L1120 HydrophobicContact CZ3-CD2 4.32Å; L1120-I1122 HydrophobicContact CD2-CD1 4.1Å; L1120-I1122 HydrophobicContact CD2-CG1 4.03Å; L1120-I1122 HydrophobicContact CG-CG1 4.04Å; L1120-R1151 HydrophobicContact CD1-CB 4.17Å; L1120-L1153 HydrophobicContact CD1-CB 4.31Å
1121	V	94.2	Very high	85.7	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	122.2	170.3	-175.3	0	0	0	0	109.1	D828 L1111 S1118 L1149 R1151 I1152 L1153	D828-V1121 CarbonylContact O-C 3.49Å; D828-V1121 WeakPolarHBondContact O-CA 3.47Å; L1111-V1121 HydrophobicContact CD2-CG1 3.92Å; S1118-V1121 WeakPolarHBondContact OG-CG2 3.01Å; V1121-L1149 HydrophobicContact CB-CD1 4.48Å; V1121-L1149 HydrophobicContact CG1-CD1 4.37Å; V1121-L1149 HydrophobicContact CG2-CD1 4.2Å; V1121-L1149 HydrophobicContact CG2-CD2 4.31Å; V1121-R1151 PolarHBondContact N-O 3.36Å; V1121-I1152 CarbonylContact O-C 3.53Å; V1121-I1152 VanDerWaalsContact O-CA 3.3Å; V1121-I1152 WeakPolarHBondContact O-CA 3.07Å; V1121-L1153 PolarHBondContact O-N 3.35Å
1122	I	94.5	Very high	84.4	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	118.5	172.7	-50	-177.4	0	0	0	107.6	V827 D828 V829 W830 L839 L1120 L1153 V1155	V827-I1122 HydrophobicContact CG1-CD1 4.26Å; D828-I1122 PolarHBondContact O-N 3.46Å; V829-I1122 WeakPolarHBondContact CA-O 3.4Å; V829-I1122 HydrophobicContact CG2-CB 4.4Å; V829-I1122 HydrophobicContact CG2-CD1 4.38Å; W830-I1122 PolarHBondContact N-O 3.19Å; L839-I1122 HydrophobicContact CD2-CG2 3.85Å; L1120-I1122 HydrophobicContact CD2-CD1 4.1Å; L1120-I1122 HydrophobicContact CD2-CG1 4.03Å; L1120-I1122 HydrophobicContact CG-CG1 4.04Å; I1122-L1153 WeakPolarHBondContact CA-O 3.38Å; I1122-L1153 HydrophobicContact CD1-CD2 4.41Å; I1122-L1153 HydrophobicContact CG1-CB 4.24Å; I1122-L1153 HydrophobicContact CG2-CB 4.47Å; I1122-L1153 HydrophobicContact CG2-CD2 4.49Å; I1122-V1155 HydrophobicContact CG2-CG2 3.48Å; I1122-V1155 VanDerWaalsContact CG2-CG2 3.48Å
1123	V	92.9	Very high	83.2	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.012	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	144.6	-177.4	66.6	0	0	0	0	110.2	W830 I832 I1152 L1153 L1154 V1155	W830-V1123 HydrophobicContact CB-CB 4.16Å; W830-V1123 HydrophobicContact CB-CG2 3.91Å; I832-V1123 HydrophobicContact CD1-CG2 3.53Å; I832-V1123 HydrophobicContact CG1-CG2 4.48Å; V1123-I1152 HydrophobicContact CG1-CG2 4.11Å; V1123-L1153 PolarHBondContact N-O 2.82Å; V1123-L1154 HydrophobicContact CG1-CD2 3.54Å; V1123-L1154 WeakPolarHBondContact O-CA 3.41Å; V1123-V1155 PolarHBondContact O-N 3.43Å
1124	N	91.1	Very high	82.4	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.011	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	141.3	177.3	60.2	-45.1	0	0	0	112.4	W830 I832 L839 Y902 V1155	W830-N1124 PolarHBondContact O-OD1 2.75Å; I832-N1124 WeakPolarHBondContact CB-OD1 3.3Å; I832-N1124 WeakPolarHBondContact CG1-OD1 3.16Å; I832-N1124 PolarHBondContact N-OD1 2.66Å; I832-N1124 VanDerWaalsContact N-OD1 3.14Å; I832-N1124 PolarHBondContact O-ND2 3.23Å; L839-N1124 HydrophobicContact CD1-CB 3.96Å; Y902-N1124 WeakPolarHBondContact CE1-ND2 3.24Å; Y902-N1124 WeakPolarHBondContact CE1-O 3.48Å; Y902-N1124 PolarHBondContact OH-O 3.44Å; N1124-V1155 CarbonylContact C-O 3.58Å; N1124-V1155 WeakPolarHBondContact CA-O 3.48Å
1125	M	88.4	Confident	82	Confident	4 Å²	4	43.1 Å²	43.1	2%	0.02	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-89.6	138.7	175.8	-68.8	-172.6	-74.4	0	0	111.9	V808 I1142 L1154 V1155 R1156	V808-M1125 HydrophobicContact CB-CE 4.04Å; V808-M1125 HydrophobicContact CG2-CE 3.78Å; M1125-I1142 HydrophobicContact CB-CD1 4.34Å; M1125-I1142 HydrophobicContact CG-CD1 4.19Å; M1125-L1154 HydrophobicContact CE-CB 3.82Å; M1125-L1154 HydrophobicContact CG-CB 3.61Å; M1125-L1154 HydrophobicContact CG-CD1 4.2Å; M1125-L1154 HydrophobicContact CG-CD2 3.82Å; M1125-L1154 HydrophobicContact CG-CG 4.08Å; M1125-L1154 HydrophobicContact SD-CB 3.57Å; M1125-L1154 VanDerWaalsContact SD-CB 3.57Å; M1125-L1154 HydrophobicContact SD-CD1 3.71Å; M1125-L1154 HydrophobicContact SD-CD2 4.43Å; M1125-L1154 HydrophobicContact SD-CG 4.1Å; M1125-V1155 PolarHBondContact N-O 3.07Å; M1125-R1156 HydrophobicContact CE-CB 4.38Å
1126	P	83.9	Confident	81.5	Confident	6 Å²	6	47.9 Å²	47.9	4%	0.039	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-65.8	157.7	166.9	31.4	-36.4	0	0	0	110.7	A901 Y902 Y1138 Y1141 I1142	A901-P1126 HydrophobicContact CB-CB 4.49Å; Y902-P1126 HydrophobicContact CE1-CB 4.33Å; P1126-Y1138 HydrophobicContact CG-CE2 4.21Å; P1126-Y1138 VanDerWaalsContact O-CE2 3.24Å; P1126-Y1138 WeakPolarHBondContact O-CE2 3.49Å; P1126-Y1138 PolarHBondContact O-OH 2.77Å; P1126-Y1141 HydrophobicContact CG-CD1 4.03Å; P1126-Y1141 HydrophobicContact CG-CE1 3.7Å; P1126-I1142 HydrophobicContact CG-CD1 4Å
1127	G	78.5	Confident	81.2	Confident	14 Å²	14	49.5 Å²	49.5	14%	0.144	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-75.4	148	173.7	0	0	0	0	0	114.3	Q905	Q905-G1127 VanDerWaalsContact NE2-CA 3.33Å
1128	P	78.5	Confident	81.1	Confident	14 Å²	14	42 Å²	42	9%	0.091	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-67.3	151.3	174.5	32.2	-35	0	0	0	109.6	L796 R797 Y1138	L796-P1128 HydrophobicContact CD2-CB 4.09Å; L796-P1128 HydrophobicContact CD2-CG 3.77Å; L796-P1128 HydrophobicContact CG-CG 4.04Å; R797-P1128 HydrophobicContact CG-CG 4.5Å; P1128-Y1138 HydrophobicContact CB-CD2 4.2Å; P1128-Y1138 HydrophobicContact CB-CE2 4.23Å; P1128-Y1138 HydrophobicContact CB-CG 4.36Å
1129	S	70.5	Confident	81	Confident	42 Å²	42	41.6 Å²	41.6	29%	0.294	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-64.1	149.7	171.3	-162.8	0	0	0	0	110.6	T1131 S1134	S1129-T1131 VanDerWaalsContact C-N 3.26Å; S1129-T1131 PolarHBondContact O-N 3.16Å; S1129-T1131 PolarHBondContact OG-N 2.82Å; S1129-T1131 PolarHBondContact OG-OG1 3.26Å; S1129-S1134 WeakPolarHBondContact CB-OG 3.27Å
1130	R	65.3	Low	80.8	Confident	198 Å²	198	42 Å²	42	75%	0.747	22%	0.219	S	C	*	.	S	Bend	trans	-71.8	-20.4	171	-69.3	-176.8	172.8	171.9	-1	112.8
1131	T	66.3	Low	80.5	Confident	75 Å²	75	42.5 Å²	42.5	46%	0.46	22%	0.22	S	C	.	.	S	Bend	trans	-74.5	126.3	179.9	27.8	0	0	0	0	112.5	S1129 S1134	S1129-T1131 VanDerWaalsContact C-N 3.26Å; S1129-T1131 PolarHBondContact O-N 3.16Å; S1129-T1131 PolarHBondContact OG-N 2.82Å; S1129-T1131 PolarHBondContact OG-OG1 3.26Å; T1131-S1134 PolarHBondContact O-OG 3.09Å
1132	L	62.5	Low	80.2	Confident	154 Å²	154	42.5 Å²	42.5	81%	0.806	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	141.2	168.7	-88.5	94.7	0	0	0	110.4
1133	G	65	Low	80	Confident	60 Å²	60	43.8 Å²	43.8	62%	0.619	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.7	-8.6	-178.9	0	0	0	0	0	115.4	E1135	G1133-E1135 VanDerWaalsContact C-N 3.26Å; G1133-E1135 PolarHBondContact O-N 2.85Å
1134	S	73.3	Confident	79.8	Confident	20 Å²	20	44.9 Å²	44.9	14%	0.14	23%	0.233	C	C	.	.			trans	-85.9	4.6	173.2	77.2	0	0	0	0	113.9	S1129 T1131 Y1137 Y1138	S1129-S1134 WeakPolarHBondContact CB-OG 3.27Å; T1131-S1134 PolarHBondContact O-OG 3.09Å; S1134-Y1137 PolarHBondContact O-N 2.85Å; S1134-Y1138 PolarHBondContact O-N 3.11Å
1135	E	79.7	Confident	79.7	Confident	33 Å²	33	44.9 Å²	44.9	15%	0.154	23%	0.233	C	C	.	.	H	α-helix	trans	-65.1	-44.7	-169.6	-57.7	-176.3	171.6	0	0	111.3	I793 R797 G1133 Y1138 M1139	I793-E1135 HydrophobicContact CG1-CB 4.2Å; I793-E1135 HydrophobicContact CG2-CG 4Å; R797-E1135 IonicContact CZ-OE1 2.77Å; R797-E1135 IonicContact NH1-OE1 3.02Å; R797-E1135 PolarHBondContact NH1-OE1 2.71Å; R797-E1135 IonicContact NH2-OE1 2.75Å; R797-E1135 PolarHBondContact NH2-OE1 3.1Å; G1133-E1135 VanDerWaalsContact C-N 3.26Å; G1133-E1135 PolarHBondContact O-N 2.85Å; E1135-Y1138 PolarHBondContact O-N 3.5Å; E1135-M1139 PolarHBondContact O-N 2.85Å
1136	Y	81.1	Confident	79.8	Confident	100 Å²	100	44.8 Å²	44.8	39%	0.392	23%	0.233	S	C	.	.	H	α-helix	trans	-58.8	-50.1	175.4	-174.4	-85.2	0	0	0	111.5	W778 Y1138 M1139 D1140	W778-Y1136 HydrophobicContact CH2-CE2 4.31Å; W778-Y1136 AromaticContact CZ3-CD2 3.86Å; W778-Y1136 HydrophobicContact CZ3-CD2 3.86Å; W778-Y1136 AromaticContact CZ3-CE2 3.77Å; W778-Y1136 HydrophobicContact CZ3-CE2 3.77Å; Y1136-Y1138 VanDerWaalsContact C-N 3.28Å; Y1136-Y1138 PolarHBondContact O-N 3.08Å; Y1136-M1139 PolarHBondContact O-N 3.25Å; Y1136-D1140 HydrophobicContact CE1-CB 4.4Å; Y1136-D1140 WeakPolarHBondContact O-CB 3.32Å; Y1136-D1140 PolarHBondContact O-N 2.95Å
1137	Y	80.3	Confident	80.1	Confident	109 Å²	109	49 Å²	49	43%	0.427	26%	0.255	S	S	.	.	H	α-helix	trans	-65.7	-31.1	-179.5	-61.3	-61.4	0	0	0	113.2	T1097 S1134 Y1141	T1097-Y1137 HydrophobicContact CG2-CD1 3.29Å; T1097-Y1137 HydrophobicContact CG2-CD2 4.14Å; T1097-Y1137 HydrophobicContact CG2-CE1 3.54Å; T1097-Y1137 HydrophobicContact CG2-CE2 4.33Å; T1097-Y1137 HydrophobicContact CG2-CG 3.62Å; S1134-Y1137 PolarHBondContact O-N 2.85Å; Y1137-Y1141 VanDerWaalsContact O-CB 3.29Å; Y1137-Y1141 WeakPolarHBondContact O-CB 3.26Å; Y1137-Y1141 PolarHBondContact O-N 3.36Å
1138	Y	84.9	Confident	80.4	Confident	18 Å²	18	50.6 Å²	50.6	7%	0.071	27%	0.272	C	S	.	.	H	α-helix	trans	-65.8	-49.6	173.6	176.7	-96.8	0	0	0	110.9	I793 L796 P1126 P1128 S1134 E1135 Y1136 D1140 Y1141 I1142	I793-Y1138 HydrophobicContact CD1-CD1 3.62Å; I793-Y1138 HydrophobicContact CD1-CE1 4.09Å; L796-Y1138 HydrophobicContact CD2-CD1 4.43Å; L796-Y1138 HydrophobicContact CD2-CE1 3.5Å; L796-Y1138 VanDerWaalsContact CD2-CE1 3.5Å; P1126-Y1138 HydrophobicContact CG-CE2 4.21Å; P1126-Y1138 VanDerWaalsContact O-CE2 3.24Å; P1126-Y1138 WeakPolarHBondContact O-CE2 3.49Å; P1126-Y1138 PolarHBondContact O-OH 2.77Å; P1128-Y1138 HydrophobicContact CB-CD2 4.2Å; P1128-Y1138 HydrophobicContact CB-CE2 4.23Å; P1128-Y1138 HydrophobicContact CB-CG 4.36Å; S1134-Y1138 PolarHBondContact O-N 3.11Å; E1135-Y1138 PolarHBondContact O-N 3.5Å; Y1136-Y1138 VanDerWaalsContact C-N 3.28Å; Y1136-Y1138 PolarHBondContact O-N 3.08Å; Y1138-D1140 VanDerWaalsContact C-N 3.32Å; Y1138-D1140 PolarHBondContact O-N 3.27Å; Y1138-Y1141 WeakPolarHBondContact O-CB 3.47Å; Y1138-Y1141 PolarHBondContact O-N 3.25Å; Y1138-I1142 HydrophobicContact CD1-CG1 4.39Å; Y1138-I1142 HydrophobicContact CE1-CG1 3.98Å; Y1138-I1142 HydrophobicContact CE2-CD1 4.42Å; Y1138-I1142 HydrophobicContact CE2-CG1 4.42Å; Y1138-I1142 WeakPolarHBondContact O-CG1 3.18Å; Y1138-I1142 PolarHBondContact O-N 3.49Å
1139	M	87	Confident	80.8	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.5	-38.8	177.2	-73.6	-57.6	-66.9	0	0	112.1	Y774 P775 W778 L789 F792 I793 E1135 Y1136 Y1141 I1142 E1143	Y774-M1139 HydrophobicContact CE1-CE 4.46Å; Y774-M1139 HydrophobicContact CE2-CE 3.69Å; Y774-M1139 WeakPolarHBondContact OH-CE 2.99Å; P775-M1139 HydrophobicContact CG-CE 3.94Å; W778-M1139 HydrophobicContact CD2-CB 4.09Å; W778-M1139 HydrophobicContact CD2-CE 4.32Å; W778-M1139 HydrophobicContact CE3-CB 4.05Å; W778-M1139 HydrophobicContact CG-CE 4.1Å; W778-M1139 HydrophobicContact CH2-CB 3.74Å; W778-M1139 HydrophobicContact CZ2-CB 3.77Å; W778-M1139 HydrophobicContact CZ3-CB 3.89Å; L789-M1139 HydrophobicContact CD1-CB 4.04Å; L789-M1139 HydrophobicContact CD1-CG 3.27Å; F792-M1139 HydrophobicContact CD1-CE 4.13Å; F792-M1139 HydrophobicContact CD1-SD 3.61Å; F792-M1139 HydrophobicContact CE1-CE 4.24Å; F792-M1139 HydrophobicContact CE1-SD 3.67Å; I793-M1139 HydrophobicContact CD1-CG 4.21Å; I793-M1139 HydrophobicContact CD1-SD 4.25Å; E1135-M1139 PolarHBondContact O-N 2.85Å; Y1136-M1139 PolarHBondContact O-N 3.25Å; M1139-Y1141 VanDerWaalsContact C-N 3.33Å; M1139-Y1141 PolarHBondContact O-N 3.36Å; M1139-I1142 PolarHBondContact O-N 3.18Å; M1139-E1143 VanDerWaalsContact O-CB 3.3Å; M1139-E1143 WeakPolarHBondContact O-CB 3.12Å; M1139-E1143 PolarHBondContact O-N 3.39Å
1140	D	85.7	Confident	81.5	Confident	27 Å²	27	52.2 Å²	52.2	14%	0.144	28%	0.282	C	S	.	.	H	α-helix	trans	-63.9	-39.6	176.1	-156.9	37.4	0	0	0	111.4	W778 R779 Y1136 Y1138 E1143 T1144	W778-D1140 HydrophobicContact CH2-CB 4.22Å; R779-D1140 IonicContact CZ-OD1 2.9Å; R779-D1140 IonicContact NE-OD1 2.62Å; R779-D1140 IonicContact NH2-OD1 3.15Å; R779-D1140 PolarHBondContact NH2-OD1 3.09Å; Y1136-D1140 HydrophobicContact CE1-CB 4.4Å; Y1136-D1140 WeakPolarHBondContact O-CB 3.32Å; Y1136-D1140 PolarHBondContact O-N 2.95Å; Y1138-D1140 VanDerWaalsContact C-N 3.32Å; Y1138-D1140 PolarHBondContact O-N 3.27Å; D1140-E1143 PolarHBondContact O-N 3.15Å; D1140-T1144 WeakPolarHBondContact O-CB 3.32Å; D1140-T1144 PolarHBondContact O-N 2.94Å; D1140-T1144 PolarHBondContact O-OG1 2.97Å
1141	Y	86.6	Confident	82.7	Confident	12 Å²	12	45.1 Å²	45.1	5%	0.047	26%	0.255	C	S	.	.	H	α-helix	trans	-59.8	-47.8	172.1	179.6	-80.2	0	0	0	112.2	A901 R1100 A1104 P1126 Y1137 Y1138 M1139 E1143 T1144 L1145	A901-Y1141 HydrophobicContact CB-CE1 4.5Å; A901-Y1141 HydrophobicContact CB-CE2 4.04Å; A901-Y1141 WeakPolarHBondContact CB-OH 3.3Å; R1100-Y1141 HydrophobicContact CB-CD2 4.39Å; R1100-Y1141 VanDerWaalsContact O-CD2 3.31Å; R1100-Y1141 WeakPolarHBondContact O-CD2 3.44Å; R1100-Y1141 VanDerWaalsContact O-CE2 3.24Å; R1100-Y1141 WeakPolarHBondContact O-CE2 3.45Å; A1104-Y1141 HydrophobicContact CB-CD2 3.67Å; A1104-Y1141 HydrophobicContact CB-CE2 3.66Å; A1104-Y1141 HydrophobicContact CB-CG 4.14Å; P1126-Y1141 HydrophobicContact CG-CD1 4.03Å; P1126-Y1141 HydrophobicContact CG-CE1 3.7Å; Y1137-Y1141 VanDerWaalsContact O-CB 3.29Å; Y1137-Y1141 WeakPolarHBondContact O-CB 3.26Å; Y1137-Y1141 PolarHBondContact O-N 3.36Å; Y1138-Y1141 WeakPolarHBondContact O-CB 3.47Å; Y1138-Y1141 PolarHBondContact O-N 3.25Å; M1139-Y1141 VanDerWaalsContact C-N 3.33Å; M1139-Y1141 PolarHBondContact O-N 3.36Å; Y1141-E1143 VanDerWaalsContact C-N 3.34Å; Y1141-T1144 PolarHBondContact O-N 2.82Å; Y1141-L1145 HydrophobicContact CE1-CD2 4.2Å; Y1141-L1145 VanDerWaalsContact O-CB 3.25Å; Y1141-L1145 WeakPolarHBondContact O-CB 3.48Å; Y1141-L1145 PolarHBondContact O-N 3.13Å
1142	I	88.9	Confident	84	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-64.2	-41.4	178.7	-62.3	-64.5	0	0	0	110.7	Y774 M1125 P1126 Y1138 M1139 L1145 T1146 L1154	Y774-I1142 HydrophobicContact CE2-CG2 3.87Å; M1125-I1142 HydrophobicContact CB-CD1 4.34Å; M1125-I1142 HydrophobicContact CG-CD1 4.19Å; P1126-I1142 HydrophobicContact CG-CD1 4Å; Y1138-I1142 HydrophobicContact CD1-CG1 4.39Å; Y1138-I1142 HydrophobicContact CE1-CG1 3.98Å; Y1138-I1142 HydrophobicContact CE2-CD1 4.42Å; Y1138-I1142 HydrophobicContact CE2-CG1 4.42Å; Y1138-I1142 WeakPolarHBondContact O-CG1 3.18Å; Y1138-I1142 PolarHBondContact O-N 3.49Å; M1139-I1142 PolarHBondContact O-N 3.18Å; I1142-L1145 PolarHBondContact O-N 3.22Å; I1142-T1146 WeakPolarHBondContact O-CB 3.28Å; I1142-T1146 WeakPolarHBondContact O-CG2 3.32Å; I1142-T1146 PolarHBondContact O-N 2.91Å; I1142-T1146 PolarHBondContact O-OG1 2.92Å; I1142-L1154 HydrophobicContact CG2-CD1 3.85Å
1143	E	89.2	Confident	85.5	Confident	27 Å²	27	34.4 Å²	34.4	13%	0.126	20%	0.196	C	C	.	.	H	α-helix	trans	-63.1	-48.5	178	-162.4	66.1	-130.3	0	0	110.9	Y774 W778 R779 K810 M1139 D1140 Y1141 L1145 T1146 D1147	Y774-E1143 VanDerWaalsContact CE1-OE2 3.3Å; Y774-E1143 WeakPolarHBondContact CE1-OE2 3.22Å; Y774-E1143 PolarHBondContact OH-OE2 3.31Å; W778-E1143 HydrophobicContact CZ2-CB 4.12Å; W778-E1143 HydrophobicContact CZ2-CG 4.39Å; W778-E1143 PolarHBondContact NE1-OE2 3.22Å; R779-E1143 VanDerWaalsContact CZ-CG 3.49Å; K810-E1143 WeakPolarHBondContact CE-OE1 3.45Å; K810-E1143 IonicContact NZ-OE1 2.79Å; K810-E1143 PolarHBondContact NZ-OE1 2.88Å; K810-E1143 IonicContact NZ-OE2 3.29Å; M1139-E1143 VanDerWaalsContact O-CB 3.3Å; M1139-E1143 WeakPolarHBondContact O-CB 3.12Å; M1139-E1143 PolarHBondContact O-N 3.39Å; D1140-E1143 PolarHBondContact O-N 3.15Å; Y1141-E1143 VanDerWaalsContact C-N 3.34Å; E1143-L1145 VanDerWaalsContact C-N 3.31Å; E1143-L1145 PolarHBondContact O-N 2.88Å; E1143-T1146 CarbonylContact O-C 3.58Å; E1143-T1146 PolarHBondContact O-N 2.72Å; E1143-T1146 PolarHBondContact O-OG1 3.28Å; E1143-D1147 WeakPolarHBondContact O-CB 3.34Å; E1143-D1147 PolarHBondContact O-N 2.03Å
1144	T	88.7	Confident	86.9	Confident	26 Å²	26	31.6 Å²	31.6	16%	0.16	17%	0.166	C	C	.	.	H	α-helix	trans	-61.9	-37.5	175.7	-59.4	0	0	0	0	112.3	A1104 V1105 N1108 D1140 Y1141 T1146	A1104-T1144 HydrophobicContact CB-CG2 3.84Å; V1105-T1144 HydrophobicContact CB-CG2 4.43Å; V1105-T1144 HydrophobicContact CG2-CG2 3.53Å; N1108-T1144 VanDerWaalsContact CB-O 3.28Å; N1108-T1144 WeakPolarHBondContact CB-O 3.07Å; N1108-T1144 VanDerWaalsContact CG-O 3.24Å; N1108-T1144 PolarHBondContact ND2-O 3.04Å; D1140-T1144 WeakPolarHBondContact O-CB 3.32Å; D1140-T1144 PolarHBondContact O-N 2.94Å; D1140-T1144 PolarHBondContact O-OG1 2.97Å; Y1141-T1144 PolarHBondContact O-N 2.82Å; T1144-T1146 VanDerWaalsContact C-N 3.29Å; T1144-T1146 PolarHBondContact O-N 3.48Å
1145	L	89.1	Confident	87.8	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-65.3	-33.1	177.3	177.6	61	0	0	0	112.6	Y902 L1107 N1108 L1111 Y1141 I1142 E1143	Y902-L1145 WeakPolarHBondContact OH-CD2 3.01Å; L1107-L1145 HydrophobicContact CB-CD1 3.83Å; L1107-L1145 HydrophobicContact CD2-CD1 3.35Å; L1107-L1145 HydrophobicContact CD2-CD2 4.49Å; L1107-L1145 HydrophobicContact CG-CD1 3.58Å; N1108-L1145 PolarHBondContact OD1-O 3.21Å; L1111-L1145 HydrophobicContact CD1-CD1 3.52Å; L1111-L1145 HydrophobicContact CD1-CG 4.26Å; Y1141-L1145 HydrophobicContact CE1-CD2 4.2Å; Y1141-L1145 VanDerWaalsContact O-CB 3.25Å; Y1141-L1145 WeakPolarHBondContact O-CB 3.48Å; Y1141-L1145 PolarHBondContact O-N 3.13Å; I1142-L1145 PolarHBondContact O-N 3.22Å; E1143-L1145 VanDerWaalsContact C-N 3.31Å; E1143-L1145 PolarHBondContact O-N 2.88Å
1146	T	90.8	Very high	88.3	Confident	2 Å²	2	30.1 Å²	30.1	1%	0.012	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	6.4	-172.5	52.8	0	0	0	0	113.7	K810 I1142 E1143 T1144 I1152 L1154	K810-T1146 PolarHBondContact NZ-OG1 2.8Å; I1142-T1146 WeakPolarHBondContact O-CB 3.28Å; I1142-T1146 WeakPolarHBondContact O-CG2 3.32Å; I1142-T1146 PolarHBondContact O-N 2.91Å; I1142-T1146 PolarHBondContact O-OG1 2.92Å; E1143-T1146 CarbonylContact O-C 3.58Å; E1143-T1146 PolarHBondContact O-N 2.72Å; E1143-T1146 PolarHBondContact O-OG1 3.28Å; T1144-T1146 VanDerWaalsContact C-N 3.29Å; T1144-T1146 PolarHBondContact O-N 3.48Å; T1146-I1152 HydrophobicContact CG2-CD1 3.66Å; T1146-I1152 HydrophobicContact CG2-CG2 4.21Å; T1146-I1152 WeakPolarHBondContact O-CD1 3.05Å; T1146-L1154 HydrophobicContact CG2-CD2 3.92Å
1147	D	89.9	Confident	88.6	Confident	94 Å²	94	26 Å²	26	50%	0.503	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	134.3	-174.9	-174	32.3	0	0	0	111.5	N1108 R1112 E1143	N1108-D1147 PolarHBondContact ND2-O 3.4Å; N1108-D1147 PolarHBondContact OD1-O 3.05Å; R1112-D1147 WeakPolarHBondContact CD-O 3.49Å; E1143-D1147 WeakPolarHBondContact O-CB 3.34Å; E1143-D1147 PolarHBondContact O-N 2.03Å
1148	G	85.2	Confident	88.6	Confident	49 Å²	49	22.9 Å²	22.9	51%	0.505	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	8	-179.3	0	0	0	0	0	116.3
1149	L	88.1	Confident	88.1	Confident	23 Å²	23	23 Å²	23	12%	0.12	14%	0.143	C	C	.	.			trans	-111.6	139.8	174.8	-64.4	174	0	0	0	110.7	L1111 V1121 I1152	L1111-L1149 HydrophobicContact CB-CD1 4.28Å; L1111-L1149 HydrophobicContact CD2-CD1 4.39Å; V1121-L1149 HydrophobicContact CB-CD1 4.48Å; V1121-L1149 HydrophobicContact CG1-CD1 4.37Å; V1121-L1149 HydrophobicContact CG2-CD1 4.2Å; V1121-L1149 HydrophobicContact CG2-CD2 4.31Å; L1149-I1152 HydrophobicContact CB-CD1 3.52Å; L1149-I1152 HydrophobicContact CB-CG1 3.78Å; L1149-I1152 HydrophobicContact CD1-CD1 4.04Å; L1149-I1152 HydrophobicContact CD1-CG1 4.37Å; L1149-I1152 HydrophobicContact CG-CD1 4.43Å
1150	S	83.3	Confident	87.4	Confident	67 Å²	67	29.2 Å²	29.2	47%	0.469	17%	0.167	S	C	.	.	S	Bend	trans	-85.1	-54.3	-171.5	59.4	0	0	0	0	114	S814	S814-S1150 PolarHBondContact OG-O 3.24Å
1151	R	91	Very high	87	Confident	48 Å²	48	28.3 Å²	28.3	18%	0.181	16%	0.162	C	C	.	.	S	Bend	trans	-115.4	109.5	-177.6	-75.3	-179.5	-76	-92.3	2.4	110.2	S814 F815 D1119 L1120 V1121	S814-R1151 WeakPolarHBondContact O-CD 3.46Å; S814-R1151 PolarHBondContact O-NH1 3.36Å; S814-R1151 WeakPolarHBondContact OG-CG 3.25Å; F815-R1151 HydrophobicContact CD2-CG 4.21Å; F815-R1151 HydrophobicContact CE2-CB 4.23Å; F815-R1151 HydrophobicContact CE2-CG 4.27Å; F815-R1151 HydrophobicContact CZ-CB 4.41Å; D1119-R1151 WeakPolarHBondContact O-CB 3.03Å; D1119-R1151 VanDerWaalsContact O-CD 3.28Å; D1119-R1151 WeakPolarHBondContact O-CD 3.14Å; D1119-R1151 PolarHBondContact O-NE 3.01Å; D1119-R1151 IonicContact OD1-NH2 3.9Å; D1119-R1151 PolarHBondContact OD1-NH2 3.03Å; L1120-R1151 HydrophobicContact CD1-CB 4.17Å; V1121-R1151 PolarHBondContact N-O 3.36Å
1152	I	93.6	Very high	86.3	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	132.2	-178.2	-51.1	169.6	0	0	0	110.2	P809 K810 V1121 V1123 T1146 L1149 L1154	P809-I1152 WeakPolarHBondContact CA-O 3.43Å; K810-I1152 HydrophobicContact CB-CB 4.33Å; K810-I1152 HydrophobicContact CD-CD1 4.3Å; K810-I1152 PolarHBondContact N-O 3.11Å; K810-I1152 PolarHBondContact O-N 3.49Å; V1121-I1152 CarbonylContact O-C 3.53Å; V1121-I1152 VanDerWaalsContact O-CA 3.3Å; V1121-I1152 WeakPolarHBondContact O-CA 3.07Å; V1123-I1152 HydrophobicContact CG1-CG2 4.11Å; T1146-I1152 HydrophobicContact CG2-CD1 3.66Å; T1146-I1152 HydrophobicContact CG2-CG2 4.21Å; T1146-I1152 WeakPolarHBondContact O-CD1 3.05Å; L1149-I1152 HydrophobicContact CB-CD1 3.52Å; L1149-I1152 HydrophobicContact CB-CG1 3.78Å; L1149-I1152 HydrophobicContact CD1-CD1 4.04Å; L1149-I1152 HydrophobicContact CD1-CG1 4.37Å; L1149-I1152 HydrophobicContact CG-CD1 4.43Å; I1152-L1154 HydrophobicContact CG2-CD2 3.97Å; I1152-L1154 HydrophobicContact CG2-CG 4.12Å
1153	L	94.3	Very high	85.7	Confident	4 Å²	4	27.8 Å²	27.8	2%	0.021	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	107.2	168.5	-177	63.5	0	0	0	109.1	L807 P809 T842 L1120 V1121 I1122 V1123 V1155	L807-L1153 HydrophobicContact CB-CD1 4.34Å; P809-L1153 HydrophobicContact CB-CD1 4.26Å; T842-L1153 HydrophobicContact CG2-CD2 3.62Å; L1120-L1153 HydrophobicContact CD1-CB 4.31Å; V1121-L1153 PolarHBondContact O-N 3.35Å; I1122-L1153 WeakPolarHBondContact CA-O 3.38Å; I1122-L1153 HydrophobicContact CD1-CD2 4.41Å; I1122-L1153 HydrophobicContact CG1-CB 4.24Å; I1122-L1153 HydrophobicContact CG2-CB 4.47Å; I1122-L1153 HydrophobicContact CG2-CD2 4.49Å; V1123-L1153 PolarHBondContact N-O 2.82Å; L1153-V1155 HydrophobicContact CG-CG2 4.21Å
1154	L	94.2	Very high	84.7	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	122.9	176.7	-66.5	172.8	0	0	0	109.6	Y774 L807 V808 V1123 M1125 I1142 T1146 I1152	Y774-L1154 HydrophobicContact CD2-CD1 4.09Å; Y774-L1154 HydrophobicContact CE2-CD1 4.29Å; L807-L1154 WeakPolarHBondContact CA-O 3.41Å; V808-L1154 HydrophobicContact CB-CB 4.06Å; V808-L1154 HydrophobicContact CG1-CD1 4.44Å; V808-L1154 PolarHBondContact N-O 3.46Å; V808-L1154 VanDerWaalsContact O-CB 3.29Å; V808-L1154 WeakPolarHBondContact O-CB 3.38Å; V808-L1154 PolarHBondContact O-N 3.17Å; V1123-L1154 HydrophobicContact CG1-CD2 3.54Å; V1123-L1154 WeakPolarHBondContact O-CA 3.41Å; M1125-L1154 HydrophobicContact CE-CB 3.82Å; M1125-L1154 HydrophobicContact CG-CB 3.61Å; M1125-L1154 HydrophobicContact CG-CD1 4.2Å; M1125-L1154 HydrophobicContact CG-CD2 3.82Å; M1125-L1154 HydrophobicContact CG-CG 4.08Å; M1125-L1154 HydrophobicContact SD-CB 3.57Å; M1125-L1154 VanDerWaalsContact SD-CB 3.57Å; M1125-L1154 HydrophobicContact SD-CD1 3.71Å; M1125-L1154 HydrophobicContact SD-CD2 4.43Å; M1125-L1154 HydrophobicContact SD-CG 4.1Å; I1142-L1154 HydrophobicContact CG2-CD1 3.85Å; T1146-L1154 HydrophobicContact CG2-CD2 3.92Å; I1152-L1154 HydrophobicContact CG2-CD2 3.97Å; I1152-L1154 HydrophobicContact CG2-CG 4.12Å
1155	V	93.1	Very high	83.7	Confident	0 Å²	0	28 Å²	28	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	143.2	-175.9	-178.2	0	0	0	0	110.1	M806 L807 L838 I1122 V1123 N1124 M1125 L1153	M806-V1155 CarbonylContact O-C 3.39Å; M806-V1155 WeakPolarHBondContact O-CA 3.43Å; L807-V1155 HydrophobicContact CD2-CB 4.3Å; L807-V1155 HydrophobicContact CD2-CG1 4.04Å; L807-V1155 HydrophobicContact CD2-CG2 3.75Å; L838-V1155 HydrophobicContact CD2-CG1 3.55Å; L838-V1155 HydrophobicContact CG-CG1 3.71Å; I1122-V1155 HydrophobicContact CG2-CG2 3.48Å; I1122-V1155 VanDerWaalsContact CG2-CG2 3.48Å; V1123-V1155 PolarHBondContact O-N 3.43Å; N1124-V1155 CarbonylContact C-O 3.58Å; N1124-V1155 WeakPolarHBondContact CA-O 3.48Å; M1125-V1155 PolarHBondContact N-O 3.07Å; L1153-V1155 HydrophobicContact CG-CG2 4.21Å
1156	R	90.4	Very high	82.5	Confident	23 Å²	23	28.7 Å²	28.7	9%	0.087	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	124.7	170.1	-172.9	168.6	179.9	-153	-5.6	111.1	A805 M806 M1125	A805-R1156 CarbonylContact C-O 3.03Å; A805-R1156 VanDerWaalsContact CA-O 3.28Å; A805-R1156 WeakPolarHBondContact CA-O 3.45Å; M806-R1156 HydrophobicContact CB-CB 4.35Å; M806-R1156 PolarHBondContact N-O 2.05Å; M806-R1156 PolarHBondContact O-N 3.49Å; M1125-R1156 HydrophobicContact CE-CB 4.38Å
1157	G	85.7	Confident	80.9	Confident	13 Å²	13	31.4 Å²	31.4	13%	0.134	19%	0.188	C	C	.	.			trans	-88.8	172.7	173.4	0	0	0	0	0	112.7	D835	D835-G1157 WeakPolarHBondContact OD1-CA 3.34Å; D835-G1157 PolarHBondContact OD1-N 3.14Å; D835-G1157 PolarHBondContact OD2-N 3.38Å
1158	T	80.8	Confident	78.8	Confident	44 Å²	44	34.8 Å²	34.8	27%	0.27	20%	0.201	S	C	.	.			trans	-97.9	-14.6	175.8	65.1	0	0	0	0	111.6	D803 R1160 E1161	D803-T1158 HydrophobicContact CB-CG2 4.43Å; D803-T1158 WeakPolarHBondContact O-CG2 3.35Å; T1158-R1160 VanDerWaalsContact C-N 3.32Å; T1158-R1160 PolarHBondContact OG1-N 3.5Å; T1158-E1161 VanDerWaalsContact CB-OE1 3.3Å; T1158-E1161 WeakPolarHBondContact CB-OE1 3.41Å; T1158-E1161 VanDerWaalsContact CG2-OE1 3.31Å; T1158-E1161 WeakPolarHBondContact CG2-OE1 3.05Å; T1158-E1161 VanDerWaalsContact N-CD 3.32Å; T1158-E1161 PolarHBondContact N-OE1 2.97Å; T1158-E1161 PolarHBondContact N-OE2 3.29Å; T1158-E1161 PolarHBondContact OG1-OE1 3.49Å; T1158-E1161 PolarHBondContact OG1-OE2 3.36Å
1159	G	73.6	Confident	78.5	Confident	20 Å²	20	34.1 Å²	34.1	21%	0.206	19%	0.186	C	C	.	.	S	Bend	trans	90.4	-9.5	-173.4	0	0	0	0	0	113.5	R913 E1161	R913-G1159 PolarHBondContact NH1-O 3.42Å; G1159-E1161 PolarHBondContact N-OE2 2.91Å
1160	R	73	Confident	78	Confident	131 Å²	131	34.7 Å²	34.7	49%	0.494	19%	0.189	S	C	.	.			trans	-95.3	-4	179.1	-64.6	-174.1	175.9	157.4	9.1	113.8	D803 L916 T1158 V1162	D803-R1160 IonicContact OD2-CZ 2.91Å; D803-R1160 IonicContact OD2-NH1 2.88Å; D803-R1160 PolarHBondContact OD2-NH1 2.99Å; D803-R1160 IonicContact OD2-NH2 3.81Å; D803-R1160 PolarHBondContact OD2-NH2 3.13Å; L916-R1160 HydrophobicContact CD2-CB 4.48Å; T1158-R1160 VanDerWaalsContact C-N 3.32Å; T1158-R1160 PolarHBondContact OG1-N 3.5Å; R1160-V1162 PolarHBondContact O-N 3.49Å
1161	E	77.1	Confident	77.7	Confident	8 Å²	8	32.9 Å²	32.9	4%	0.037	17%	0.174	C	C	.	.			trans	-74.1	111.8	178.3	-56.9	80.6	-174.8	0	0	110.3	W669 R913 T1158 G1159	W669-E1161 HydrophobicContact CB-CB 4.46Å; W669-E1161 HydrophobicContact CD2-CB 4.25Å; W669-E1161 HydrophobicContact CD2-CG 3.83Å; W669-E1161 HydrophobicContact CE3-CG 4.48Å; W669-E1161 HydrophobicContact CG-CB 4.09Å; W669-E1161 HydrophobicContact CG-CG 3.98Å; W669-E1161 HydrophobicContact CZ2-CG 4.12Å; R913-E1161 PolarHBondContact NH1-O 3.45Å; R913-E1161 PolarHBondContact NH2-O 3.21Å; T1158-E1161 VanDerWaalsContact CB-OE1 3.3Å; T1158-E1161 WeakPolarHBondContact CB-OE1 3.41Å; T1158-E1161 VanDerWaalsContact CG2-OE1 3.31Å; T1158-E1161 WeakPolarHBondContact CG2-OE1 3.05Å; T1158-E1161 VanDerWaalsContact N-CD 3.32Å; T1158-E1161 PolarHBondContact N-OE1 2.97Å; T1158-E1161 PolarHBondContact N-OE2 3.29Å; T1158-E1161 PolarHBondContact OG1-OE1 3.49Å; T1158-E1161 PolarHBondContact OG1-OE2 3.36Å; G1159-E1161 PolarHBondContact N-OE2 2.91Å
1162	V	73.2	Confident	76.9	Confident	1 Å²	1	32 Å²	32	1%	0.006	17%	0.173	C	C	.	.			trans	-114	132.1	170.2	179.1	0	0	0	0	108.1	T666 W669 L916 L917 M920 R1160 T1164	T666-V1162 CarbonylContact O-C 3.48Å; T666-V1162 WeakPolarHBondContact O-CB 3.4Å; W669-V1162 WeakPolarHBondContact CB-O 3.12Å; W669-V1162 PolarHBondContact N-O 2.93Å; L916-V1162 HydrophobicContact CD2-CG2 4.41Å; L917-V1162 HydrophobicContact CD2-CG1 4.47Å; L917-V1162 HydrophobicContact CD2-CG2 4.21Å; M920-V1162 HydrophobicContact CE-CG2 4.03Å; R1160-V1162 PolarHBondContact O-N 3.49Å; V1162-T1164 HydrophobicContact CG1-CG2 4.15Å
1163	I	75.2	Confident	75.8	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.005	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-129.9	107.9	-175.7	-61.9	157.4	0	0	0	106.3	W669 G837 L841 F1166	W669-I1163 HydrophobicContact CB-CG1 4.2Å; G837-I1163 WeakPolarHBondContact O-CD1 3.34Å; L841-I1163 HydrophobicContact CB-CD1 3.87Å; L841-I1163 HydrophobicContact CD2-CD1 3.74Å; L841-I1163 HydrophobicContact CD2-CG1 4.2Å; L841-I1163 HydrophobicContact CG-CD1 4.42Å; I1163-F1166 HydrophobicContact CB-CZ 4.43Å; I1163-F1166 HydrophobicContact CG2-CD1 4.45Å; I1163-F1166 HydrophobicContact CG2-CD2 4.09Å; I1163-F1166 HydrophobicContact CG2-CE1 4.03Å; I1163-F1166 HydrophobicContact CG2-CE2 3.63Å; I1163-F1166 HydrophobicContact CG2-CG 4.49Å; I1163-F1166 HydrophobicContact CG2-CZ 3.6Å
1164	T	68	Low	74.6	Confident	23 Å²	23	35.9 Å²	35.9	14%	0.141	20%	0.195	C	C	.	.			trans	-103.3	-20.7	179.3	62	0	0	0	0	112.9	K667 N668 V1162	K667-T1164 WeakPolarHBondContact O-CB 3.45Å; K667-T1164 WeakPolarHBondContact O-CG2 3.4Å; K667-T1164 PolarHBondContact O-N 3.35Å; K667-T1164 PolarHBondContact O-OG1 3.19Å; N668-T1164 PolarHBondContact OD1-N 2.68Å; N668-T1164 PolarHBondContact OD1-OG1 3.38Å; V1162-T1164 HydrophobicContact CG1-CG2 4.15Å
1165	A	67.5	Low	73.2	Confident	34 Å²	34	38.5 Å²	38.5	28%	0.281	21%	0.209	S	C	.	.			trans	-132	133.3	176.8	0	0	0	0	0	112.2	N668	N668-A1165 WeakPolarHBondContact OD1-CB 3.35Å; N668-A1165 PolarHBondContact OD1-N 3.04Å
1166	F	65	Low	71.7	Confident	16 Å²	16	41.5 Å²	41.5	7%	0.07	23%	0.225	C	C	.	.			trans	-104.5	65.7	172.2	-67.8	-101.1	0	0	0	109.5	L840 L841 Y844 L883 I885 I1163	L840-F1166 HydrophobicContact CB-CE1 4.31Å; L840-F1166 HydrophobicContact CB-CZ 4.49Å; L840-F1166 HydrophobicContact CD2-CE1 4.02Å; L840-F1166 HydrophobicContact CD2-CZ 3.76Å; L840-F1166 HydrophobicContact CG-CE1 3.89Å; L840-F1166 HydrophobicContact CG-CZ 4.13Å; L841-F1166 HydrophobicContact CB-CE1 4.04Å; L841-F1166 HydrophobicContact CD1-CD1 4.04Å; L841-F1166 HydrophobicContact CD1-CE1 4.26Å; Y844-F1166 HydrophobicContact CD1-CD1 4.4Å; Y844-F1166 HydrophobicContact CE1-CB 4.29Å; Y844-F1166 HydrophobicContact CG-CD1 4.47Å; Y844-F1166 PolarHBondContact OH-O 3.32Å; L883-F1166 HydrophobicContact CD1-CD2 3.44Å; L883-F1166 VanDerWaalsContact CD1-CD2 3.44Å; L883-F1166 HydrophobicContact CD1-CE2 3.35Å; L883-F1166 HydrophobicContact CD1-CG 4.31Å; L883-F1166 HydrophobicContact CD1-CZ 4.15Å; L883-F1166 HydrophobicContact CD2-CD2 3.69Å; L883-F1166 HydrophobicContact CD2-CE2 4.23Å; L883-F1166 HydrophobicContact CG-CD2 4.13Å; L883-F1166 HydrophobicContact CG-CE2 4.41Å; I885-F1166 HydrophobicContact CD1-CD1 4.01Å; I885-F1166 HydrophobicContact CD1-CE1 4.37Å; I885-F1166 HydrophobicContact CD1-CG 4.15Å; I1163-F1166 HydrophobicContact CB-CZ 4.43Å; I1163-F1166 HydrophobicContact CG2-CD1 4.45Å; I1163-F1166 HydrophobicContact CG2-CD2 4.09Å; I1163-F1166 HydrophobicContact CG2-CE1 4.03Å; I1163-F1166 HydrophobicContact CG2-CE2 3.63Å; I1163-F1166 HydrophobicContact CG2-CG 4.49Å; I1163-F1166 HydrophobicContact CG2-CZ 3.6Å
1167	S	57.4	Low	70.1	Confident	60 Å²	60	43 Å²	43	42%	0.42	24%	0.236	S	C	.	.			trans	-102.3	171.8	174.4	75	0	0	0	0	111.8	R670	R670-S1167 PolarHBondContact NH1-O 3.28Å; R670-S1167 VanDerWaalsContact NH2-C 3.3Å; R670-S1167 PolarHBondContact NH2-O 3.16Å; R670-S1167 PolarHBondContact NH2-OG 2.94Å
1168	E	44.6	Very low	68.7	Low	165 Å²	165	45.7 Å²	45.7	77%	0.771	25%	0.246	S	C	*	.			trans	-59.6	0	163	-72.4	177.8	-168.2	0	0	112.4	R670 R848	R670-E1168 PolarHBondContact NH2-O 3.05Å; R670-E1168 PolarHBondContact NH2-OXT 3.3Å; R848-E1168 IonicContact CZ-OE1 2.66Å; R848-E1168 VanDerWaalsContact NH1-CD 3.27Å; R848-E1168 IonicContact NH1-OE1 3.14Å; R848-E1168 PolarHBondContact NH1-OE1 3.11Å; R848-E1168 IonicContact NH2-OE1 3.3Å

Retrieved 1,168 of 1,168 residues in 235.3 ms (Link to these results)

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