A0A3Q0KUF6_SCHMA Loading...

DNA 5'-3' helicase

AlphaFold DB , UniProt , Accession A0A3Q0KUF6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,489 aa.

						>A0A3Q0KUF6_SCHMA|A0A3Q0KUF6
MRQSSLLNFFGKKPEVSSVTSLHESPNTVVGLIEPKHSSYDESFIIPGTPDSTNRTLGVSLSGRAALGTVNIDKVSSPKLCRRKVVARRSSLTVRRDEILRSKLHDLLSSDPIDNNENQQMRSNRQAQVSAKLRRGNYDLLNYAPQDQIVKTTSKDSEFSGEISHRYAITSNRAKMMVSTALLTCSASKRKATDISNAHSSDSLNYRKLNKCSVSNPEDTNVPKRDTNSKHSVTREVHLNNEELSALDDILDQLVKGDNLPSHKHIEKEAVTLNPPQIYCHIEDNTQSSVHNETFQLLNLSDWSPVKEEFTMLKQQRTVDDQLLQIPDQSFLRGTVVQINNKCDQIELVVKLDDVSGTTDNRTKMNVILRDSWFDTPIRIKDIINIIPNVYGDKKNPVHNNSTVIISDDNNNRARNDCTAICLNPDYLLPTTKVVSSLNCLRRVVLEYFWVTDGGYREDNEINVINSNQIYNSQSDVMLTGSLVHELFQKIISRPNIQRDDALQIVSGLIYRPSVVLQMYASGIEPKTLFAKLEEFVPKIFDWTQTHCIQHLPSRNGVTTVNQVKVEDVIAIEENIWSNRLGLKGKIDSTLLCEIPLIGELKPTLNLIPMELKTGNPTYSIEHKGQVYLYLMLAREFYGAYYSTSKYAKVPVANAGWLVYLKEPIKQNFQKHISFTNPGILYPDINSFRGLIQTRNRLVSGIIDLLRSADTSHEQLCVNEPKLKLPDCINQLRVCQTCSLQLTCSLFAENPAKPYSGAYDSFSSVHKILINHRSHLQQEHIDFFIKWSKLLLTEYLDNERFEHVIGNIYKTSLKVDKPITNGTIRGLRLVKTKISQSSLSGESEVQSWFILHKSIDQPYESLLSFSSLNIGDFVIVSSDDSRFMGIELATIAPVEGFHEVDFTSHGSVSPLSDYKKNVLSLISTRSFPDRIQLFRVDRYVSMKTIQLNLSNLVSLMRSSKLCHLLRELIIDGRIPDMLKTISKKIVKEIRPILKPLNSNQRAAILQTLFSQSYILIKGYPGSGKTETLIALLRVLILLKKRILVTAHTHSAVDNLLLRLCQTGETRVIRLGQMDRILPDLLNYSFEYKLNTFLKSNEKPKNNIIDYINNIMADAVVVGCTALSASGGNDLRHSALTYQKFDVVLIDEASQLMFPTTLGPLLCLAEEQQPLDSIKCCRFVLVGDPYQLPPLVRSQKARLGGLDQSLFSLLQSHHDRDNSPLTTNSSMDLSKKGYVTELTIQYRMNSKIMALSNHLNYKNKMSCANSCISQATLKLNPNITSDEISDKLPLWIKRVNSPLISDSVLLLDTKMLDCCSFSANESRTSNSNPTEAQLILYIIKQIHHVFLLSMEDIGVITPYRAQVYLLKNMMKENSFGTIEVNTVDQFQGRDKKLILLSLTNCPSSFLRTSENECNESNRNHLLDDLPRLTVALTRAQHKLIIIGCTGQHNLPENNSNQITNLQKLFSFIKAMIGGYETLPSNTVKWINTSE
					

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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	27.1	Very low	28.6	Very low	239 Å²	239	154.5 Å²	154.5	100%	1.177	80%	0.798	S	S	*	*				0	134.3	0	-81.5	-178.2	164.2	0	0	108.5	Q3	M1-Q3 PolarHBondContact O-N 2.92Å
2	R	28.4	Very low	28.4	Very low	235 Å²	235	158.3 Å²	158.3	89%	0.887	80%	0.803	S	S	*	*			trans	-59.7	111.7	-174.1	-70.7	178	175.3	172.2	-2.4	110.8	S4	R2-S4 VanDerWaalsContact C-N 3.28Å; R2-S4 PolarHBondContact O-N 3.15Å
3	Q	30.5	Very low	28.1	Very low	181 Å²	181	161.8 Å²	161.8	85%	0.846	81%	0.81	S	S	*	*			trans	-85.1	17.6	-178.8	-91.2	179.9	-27	0	0	114.3	M1 S5	M1-Q3 PolarHBondContact O-N 2.92Å; Q3-S5 VanDerWaalsContact C-N 3.35Å; Q3-S5 PolarHBondContact O-N 3.47Å
4	S	31.5	Very low	28	Very low	97 Å²	97	158.9 Å²	158.9	68%	0.678	81%	0.808	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	2.7	-178.2	61.1	0	0	0	0	114.8	R2	R2-S4 VanDerWaalsContact C-N 3.28Å; R2-S4 PolarHBondContact O-N 3.15Å
5	S	29.5	Very low	27.7	Very low	97 Å²	97	161.1 Å²	161.1	68%	0.678	81%	0.814	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.5	-4.8	-178	53.1	0	0	0	0	115.5	Q3	Q3-S5 VanDerWaalsContact C-N 3.35Å; Q3-S5 PolarHBondContact O-N 3.47Å
6	L	28	Very low	27.4	Very low	130 Å²	130	159.8 Å²	159.8	68%	0.681	82%	0.816	S	S	*	*	S	Bend	trans	-90.4	-15.4	-179.8	-112.5	145.1	0	0	0	114.1	N8	L6-N8 VanDerWaalsContact C-N 3.3Å; L6-N8 PolarHBondContact O-N 3.16Å
7	L	28.1	Very low	27.2	Very low	151 Å²	151	157.1 Å²	157.1	79%	0.791	82%	0.815	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-15.2	179	-86.1	155.8	0	0	0	114.2
8	N	29.6	Very low	26.8	Very low	152 Å²	152	154.4 Å²	154.4	81%	0.813	81%	0.812	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-0.4	179.1	-77.5	-11.2	0	0	0	114.5	L6	L6-N8 VanDerWaalsContact C-N 3.3Å; L6-N8 PolarHBondContact O-N 3.16Å
9	F	28.5	Very low	26.6	Very low	172 Å²	172	153.2 Å²	153.2	75%	0.754	81%	0.811	S	S	*	*	S	Bend	trans	-86.3	-22.3	-179.1	-152.2	-97.8	0	0	0	113.9
10	F	28.5	Very low	26.3	Very low	180 Å²	180	151.2 Å²	151.2	79%	0.789	81%	0.805	S	S	*	*	S	Bend	trans	-107	14.7	-175.2	-69.2	-73.1	0	0	0	114.9	K12	F10-K12 PolarHBondContact O-N 3.5Å
11	G	25.1	Very low	26	Very low	66 Å²	66	148.7 Å²	148.7	68%	0.68	80%	0.8	S	S	*	*			trans	-88	67.2	173.7	0	0	0	0	0	113.8
12	K	25.9	Very low	25.7	Very low	199 Å²	199	144.6 Å²	144.6	87%	0.865	78%	0.782	S	S	*	*			trans	-136.7	95.7	157.2	-82.5	-167.7	176.7	-178.3	0	109.9	F10	F10-K12 PolarHBondContact O-N 3.5Å
13	K	24.4	Very low	25.5	Very low	205 Å²	205	141.7 Å²	141.7	89%	0.891	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-60	124.1	163.8	-77.2	179.6	174.1	178.7	0	108.1
14	P	27.1	Very low	24.9	Very low	121 Å²	121	141.5 Å²	141.5	79%	0.786	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-71.2	132.4	167	9.1	3	0	0	0	108.9	V16	P14-V16 PolarHBondContact O-N 2.85Å
15	E	23.1	Very low	24.4	Very low	192 Å²	192	142.3 Å²	142.3	90%	0.897	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-57.5	130.8	177.4	-69.4	172.4	151.7	0	0	111.1	S17	E15-S17 PolarHBondContact O-N 3.39Å
16	V	23.5	Very low	24.1	Very low	139 Å²	139	142.8 Å²	142.8	84%	0.842	78%	0.784	S	S	*	*			trans	-70.4	111	171.9	177.4	0	0	0	0	107.6	P14	P14-V16 PolarHBondContact O-N 2.85Å
17	S	23.2	Very low	23.7	Very low	115 Å²	115	144.1 Å²	144.1	80%	0.804	79%	0.791	S	S	*	*			trans	-77.2	120.7	164.7	40.4	0	0	0	0	109	E15	E15-S17 PolarHBondContact O-N 3.39Å
18	S	19.9	Very low	23.5	Very low	108 Å²	108	142.8 Å²	142.8	76%	0.755	79%	0.79	S	S	*	*			trans	-80.8	122.6	178.8	40.9	0	0	0	0	110.7
19	V	23.4	Very low	23	Very low	131 Å²	131	142.1 Å²	142.1	79%	0.794	79%	0.791	S	S	*	*			trans	-142.7	97.8	157.8	-178.3	0	0	0	0	108.9
20	T	21.3	Very low	22.6	Very low	114 Å²	114	140 Å²	140	70%	0.699	79%	0.792	S	S	*	*			trans	36.6	104	141.8	46.6	0	0	0	0	118.4
21	S	19.2	Very low	22.2	Very low	99 Å²	99	134 Å²	134	69%	0.692	78%	0.78	S	S	*	*				64.7	110.9	89.2	72.3	0	0	0	0	114.3
22	L	21.6	Very low	21.8	Very low	152 Å²	152	139.3 Å²	139.3	80%	0.796	79%	0.792	S	S	*	*			trans	-176.5	133.7	133.3	-98	149	0	0	0	111.6
23	H	23.3	Very low	21.5	Very low	174 Å²	174	137.2 Å²	137.2	81%	0.806	79%	0.789	S	S	*	*			trans	90	91.9	163.1	-68.3	-63.4	0	0	0	120.3
24	E	19	Very low	21.2	Very low	177 Å²	177	134.9 Å²	134.9	83%	0.827	78%	0.782	S	S	*	*			trans	-60.5	148	156.2	-62.7	171.9	136.7	0	0	113.8
25	S	20.1	Very low	20.9	Very low	114 Å²	114	135.1 Å²	135.1	80%	0.797	78%	0.783	S	S	*	*			trans	74.8	154.9	145.5	80.9	0	0	0	0	118.7
26	P	23.4	Very low	20.6	Very low	107 Å²	107	134.2 Å²	134.2	70%	0.695	78%	0.776	S	S	*	*			cis	-126.4	153.9	10.2	34.7	-16.2	0	0	0	116.2	T28	P26-T28 PolarHBondContact O-N 3.31Å
27	N	20.3	Very low	20.4	Very low	158 Å²	158	136.7 Å²	136.7	85%	0.845	78%	0.778	S	S	*	*			trans	-43.3	126.9	158.6	-70.3	-37.8	0	0	0	111.7
28	T	22.4	Very low	20.2	Very low	124 Å²	124	136.2 Å²	136.2	76%	0.761	78%	0.775	S	S	*	*			trans	-124.3	88	157.6	-19.2	0	0	0	0	107.8	P26 V30	P26-T28 PolarHBondContact O-N 3.31Å; T28-V30 HydrophobicContact CG2-CG2 3.93Å; T28-V30 PolarHBondContact O-N 3.46Å
29	V	19.2	Very low	20.2	Very low	138 Å²	138	136.4 Å²	136.4	84%	0.836	78%	0.776	S	S	*	*			trans	-74.3	108.4	160.5	174.4	0	0	0	0	105.9
30	V	20.9	Very low	20.1	Very low	126 Å²	126	140.6 Å²	140.6	76%	0.764	78%	0.779	S	S	*	*			trans	-127.9	96.2	166.7	-178.7	0	0	0	0	108.2	T28	T28-V30 HydrophobicContact CG2-CG2 3.93Å; T28-V30 PolarHBondContact O-N 3.46Å
31	G	19.2	Very low	19.9	Very low	54 Å²	54	142.3 Å²	142.3	56%	0.557	78%	0.784	S	S	*	*				55.2	99.5	125.6	0	0	0	0	0	117.9	I33	G31-I33 PolarHBondContact O-N 2.85Å
32	L	18.3	Very low	19.9	Very low	178 Å²	178	145.3 Å²	145.3	93%	0.932	79%	0.787	S	S	*	*			trans	-40.1	119.1	143.1	-76	140.7	0	0	0	110.5
33	I	19.6	Very low	19.8	Very low	156 Å²	156	142.9 Å²	142.9	80%	0.8	78%	0.783	S	S	*	*			trans	-106	101	162.4	-63.9	176.2	0	0	0	106.6	G31	G31-I33 PolarHBondContact O-N 2.85Å
34	E	17.1	Very low	19.7	Very low	156 Å²	156	143.7 Å²	143.7	73%	0.729	78%	0.784	S	S	*	*			trans	-66.5	129.3	156.7	-67.6	177.8	157.2	0	0	109.2
35	P	20.4	Very low	19.7	Very low	125 Å²	125	142.6 Å²	142.6	81%	0.812	78%	0.783	S	S	*	*			trans	-90.4	107.8	153.7	23.3	-9.1	0	0	0	108.5
36	K	18.3	Very low	19.7	Very low	174 Å²	174	143.6 Å²	143.6	76%	0.757	78%	0.778	S	S	*	*			trans	-60.9	147.4	165.7	-73.9	176.5	174.2	176.2	0	111.5
37	H	18.3	Very low	19.5	Very low	191 Å²	191	144.7 Å²	144.7	88%	0.884	78%	0.784	S	S	*	*			trans	-11.6	131.8	153.4	-68.3	-80.3	0	0	0	117.2
38	S	20	Very low	19.5	Very low	105 Å²	105	140.4 Å²	140.4	73%	0.734	78%	0.778	S	S	*	*			trans	-142.4	120.3	138	53.7	0	0	0	0	110.2
39	S	18.3	Very low	19.4	Very low	111 Å²	111	140.2 Å²	140.2	78%	0.776	78%	0.777	S	S	*	*			trans	-66.4	129.8	160.2	46.4	0	0	0	0	110.1
40	Y	21.1	Very low	19.4	Very low	220 Å²	220	139.6 Å²	139.6	86%	0.863	78%	0.776	S	S	*	*			trans	-131	104.3	154	-95.4	-81.9	0	0	0	107.8
41	D	18.2	Very low	19.3	Very low	150 Å²	150	141 Å²	141	80%	0.802	78%	0.779	S	S	*	*			trans	-58.6	139.4	145.3	-86.6	-43.5	0	0	0	108.2
42	E	19.3	Very low	19.3	Very low	161 Å²	161	142.7 Å²	142.7	75%	0.752	78%	0.782	S	S	*	*				-176.4	123.6	122.1	-99.5	175.4	-166.2	0	0	110.8
43	S	19.6	Very low	19.3	Very low	102 Å²	102	140.2 Å²	140.2	71%	0.713	77%	0.774	S	S	*	*			trans	-39	128.3	160.9	49	0	0	0	0	114.1
44	F	19.8	Very low	19.3	Very low	191 Å²	191	140.8 Å²	140.8	84%	0.838	78%	0.779	S	S	*	*			trans	-127.1	107.8	149.6	-80.3	-82.4	0	0	0	109.8
45	I	20.6	Very low	19.4	Very low	154 Å²	154	143.9 Å²	143.9	79%	0.79	78%	0.784	S	S	*	*			trans	-54.2	145.2	165.8	-69.8	167.6	0	0	0	109.6	P47	I45-P47 VanDerWaalsContact O-CD 3.28Å; I45-P47 WeakPolarHBondContact O-CD 3.46Å
46	I	19.7	Very low	19.3	Very low	135 Å²	135	143.9 Å²	143.9	69%	0.692	78%	0.782	S	S	*	*			trans	-62.7	129.6	172.6	-63.2	160.8	0	0	0	111.1
47	P	18.4	Very low	19.4	Very low	129 Å²	129	144 Å²	144	84%	0.838	79%	0.79	S	S	*	*			trans	-120.3	113.7	140.7	28.3	-11.9	0	0	0	108.4	I45	I45-P47 VanDerWaalsContact O-CD 3.28Å; I45-P47 WeakPolarHBondContact O-CD 3.46Å
48	G	21	Very low	19.4	Very low	68 Å²	68	138.1 Å²	138.1	70%	0.701	78%	0.781	S	S	*	*			trans	169.7	-5.5	179.4	0	0	0	0	0	116.1	P50	G48-P50 VanDerWaalsContact O-CD 3.31Å; G48-P50 WeakPolarHBondContact O-CD 3.48Å
49	T	20.5	Very low	19.5	Very low	121 Å²	121	139.6 Å²	139.6	74%	0.742	79%	0.785	S	S	*	*			trans	-82.2	112.5	159.4	39.3	0	0	0	0	109
50	P	19.7	Very low	19.5	Very low	125 Å²	125	139.2 Å²	139.2	81%	0.812	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-71.4	128.6	163.8	2.8	14.8	0	0	0	108	G48	G48-P50 VanDerWaalsContact O-CD 3.31Å; G48-P50 WeakPolarHBondContact O-CD 3.48Å
51	D	18.9	Very low	19.6	Very low	156 Å²	156	136.9 Å²	136.9	83%	0.834	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-69.1	158	173.1	-121.2	-30.7	0	0	0	112.3
52	S	18	Very low	19.7	Very low	89 Å²	89	135.3 Å²	135.3	62%	0.622	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-67.7	155.8	179.8	62.9	0	0	0	0	114.3
53	T	18.1	Very low	19.8	Very low	125 Å²	125	131.5 Å²	131.5	77%	0.767	79%	0.788	S	S	*	*			trans	81	96.1	160.7	70.9	0	0	0	0	118.7
54	N	20.4	Very low	19.8	Very low	169 Å²	169	136.3 Å²	136.3	90%	0.904	79%	0.791	S	S	*	*			trans	-162.4	147.6	130.1	-106.5	-32.6	0	0	0	114.3
55	R	18	Very low	19.9	Very low	221 Å²	221	131.8 Å²	131.8	83%	0.834	79%	0.789	S	S	*	*			trans	-72.8	175.3	-172.1	-71.2	168.8	164.1	175.2	-3.4	114
56	T	19.7	Very low	20	Very low	125 Å²	125	129.4 Å²	129.4	77%	0.767	79%	0.792	S	S	*	*			trans	92.5	104.7	155.1	57.3	0	0	0	0	116.9
57	L	19.4	Very low	20	Very low	176 Å²	176	131.3 Å²	131.3	92%	0.921	80%	0.803	S	S	*	*				76.9	110.7	81.5	-115.5	130.8	0	0	0	113.3
58	G	19.1	Very low	20.1	Very low	67 Å²	67	128.7 Å²	128.7	69%	0.691	80%	0.799	S	S	*	*			trans	99.5	102.4	144.6	0	0	0	0	0	116.6
59	V	21.3	Very low	20.1	Very low	137 Å²	137	131.5 Å²	131.5	83%	0.83	80%	0.803	S	S	*	*				-148.1	119.8	116.8	179.3	0	0	0	0	108.6
60	S	19	Very low	20.1	Very low	103 Å²	103	131.9 Å²	131.9	72%	0.72	81%	0.805	S	S	*	*			trans	-76.4	135.3	166.5	55	0	0	0	0	111
61	L	23.3	Very low	20.1	Very low	171 Å²	171	132.7 Å²	132.7	90%	0.895	80%	0.802	S	S	*	*			trans	-136.1	86.4	158	-99.9	147	0	0	0	108.5
62	S	20.7	Very low	20.4	Very low	117 Å²	117	132.8 Å²	132.8	82%	0.818	80%	0.801	S	S	*	*			trans	-77.8	114.1	164.3	51.7	0	0	0	0	109.4
63	G	20.8	Very low	20.6	Very low	80 Å²	80	134.4 Å²	134.4	83%	0.825	80%	0.803	S	S	*	*			trans	-132.2	90.7	168	0	0	0	0	0	110.1
64	R	19.3	Very low	20.7	Very low	204 Å²	204	137.7 Å²	137.7	77%	0.77	81%	0.806	S	S	*	*			trans	-87.5	126.4	163.6	-94.4	177.5	168.9	179.9	-7.8	108.2
65	A	22.3	Very low	20.9	Very low	96 Å²	96	136.7 Å²	136.7	79%	0.793	81%	0.806	S	S	*	*			trans	-134.2	105.9	150.6	0	0	0	0	0	105.1
66	A	21.4	Very low	21.1	Very low	103 Å²	103	130.6 Å²	130.6	85%	0.851	80%	0.797	S	S	*	*				76.8	121.1	79.8	0	0	0	0	0	112.4
67	L	21	Very low	21.2	Very low	176 Å²	176	130.1 Å²	130.1	92%	0.921	80%	0.799	S	S	*	*			trans	-60.9	140.9	-179.9	-70.7	142.6	0	0	0	112.2
68	G	21.2	Very low	21.5	Very low	74 Å²	74	127.5 Å²	127.5	76%	0.763	79%	0.793	S	S	*	*			trans	-125.4	99.2	162.2	0	0	0	0	0	109.6
69	T	19.9	Very low	21.6	Very low	127 Å²	127	134.1 Å²	134.1	78%	0.779	80%	0.802	S	S	*	*			trans	-69.7	126.5	165.6	39.8	0	0	0	0	110.1
70	V	21.1	Very low	21.8	Very low	129 Å²	129	134.5 Å²	134.5	78%	0.782	80%	0.799	S	S	*	*			trans	-108.1	105.3	162.8	177.6	0	0	0	0	108	I72	V70-I72 HydrophobicContact CG1-CG1 4.14Å
71	N	19.3	Very low	21.9	Very low	142 Å²	142	136 Å²	136	76%	0.759	81%	0.808	S	S	*	*			trans	-72.5	128.2	160.4	-85.7	-29.1	0	0	0	108.3
72	I	25.7	Very low	22	Very low	158 Å²	158	138 Å²	138	81%	0.81	80%	0.804	S	S	*	*			trans	-122.3	112.4	152.2	-62.7	178.9	0	0	0	106.8	V70	V70-I72 HydrophobicContact CG1-CG1 4.14Å
73	D	21.5	Very low	22.1	Very low	123 Å²	123	144.5 Å²	144.5	66%	0.658	81%	0.811	S	S	*	*			trans	-64.8	146.7	178.8	-86.7	-54.5	0	0	0	113.5
74	K	20.8	Very low	22.4	Very low	193 Å²	193	149.5 Å²	149.5	84%	0.839	81%	0.81	S	S	*	*			trans	1.5	115.7	143.6	-64.5	172.7	-176.2	173.8	0	116.9
75	V	25	Very low	22.5	Very low	148 Å²	148	146.5 Å²	146.5	90%	0.897	81%	0.813	S	S	*	*			trans	-102.4	129.4	145.3	179.2	0	0	0	0	108.7
76	S	20.7	Very low	22.6	Very low	93 Å²	93	147.6 Å²	147.6	65%	0.65	81%	0.81	S	S	*	*			trans	-93.4	133	-172.7	46.9	0	0	0	0	114
77	S	22.7	Very low	22.8	Very low	116 Å²	116	146.5 Å²	146.5	81%	0.811	80%	0.801	S	S	*	*			trans	61	159.3	151.6	68.6	0	0	0	0	118.9
78	P	25.1	Very low	23	Very low	121 Å²	121	149.6 Å²	149.6	79%	0.786	80%	0.8	S	S	*	*			cis	-133.9	174.9	17.7	38.7	-18.1	0	0	0	117.2
79	K	21.2	Very low	23.3	Very low	205 Å²	205	153.4 Å²	153.4	89%	0.891	79%	0.792	S	S	*	*			trans	-58.6	124.9	179.6	-62.2	168.9	177.1	175.6	0	112.9
80	L	25.9	Very low	23.8	Very low	146 Å²	146	150.8 Å²	150.8	76%	0.764	78%	0.779	S	S	*	*			trans	-135.4	99.1	155.1	-122.9	118.7	0	0	0	109.5	R82	L80-R82 HydrophobicContact CD2-CG 4.49Å; L80-R82 PolarHBondContact O-N 2.98Å
81	C	21.2	Very low	24.3	Very low	135 Å²	135	149.4 Å²	149.4	91%	0.912	78%	0.775	S	S	*	*			trans	-61.9	102.6	165.8	-84.1	0	0	0	0	109.3
82	R	26.1	Very low	24.9	Very low	213 Å²	213	148.3 Å²	148.3	80%	0.804	77%	0.768	S	S	*	*			trans	-129.5	114.2	156.1	-83.2	-172.6	174.2	176.6	-1.3	109.2	L80 K84	L80-R82 HydrophobicContact CD2-CG 4.49Å; L80-R82 PolarHBondContact O-N 2.98Å; R82-K84 PolarHBondContact O-N 3.12Å
83	R	22.2	Very low	25.4	Very low	253 Å²	253	143.6 Å²	143.6	96%	0.955	75%	0.747	S	S	*	*			trans	-48.8	95.4	167.5	-72	173.7	173.5	163	-3.3	109
84	K	25.9	Very low	25.9	Very low	185 Å²	185	141.4 Å²	141.4	80%	0.804	74%	0.738	S	S	*	*			trans	-93.2	113.5	159.9	-87.5	-174.1	175.9	179.2	0	106.7	R82 V86	R82-K84 PolarHBondContact O-N 3.12Å; K84-V86 VanDerWaalsContact C-N 3.31Å; K84-V86 PolarHBondContact O-N 3.49Å
85	V	22.9	Very low	26.5	Very low	140 Å²	140	141.3 Å²	141.3	85%	0.848	73%	0.732	S	S	*	*			trans	-52.2	98.3	165	176.2	0	0	0	0	107	A87	V85-A87 PolarHBondContact O-N 3.26Å; V85-A87 VanDerWaalsContact O-N 3.1Å
86	V	24	Very low	26.9	Very low	120 Å²	120	142.5 Å²	142.5	73%	0.727	72%	0.721	S	S	*	*			trans	-76.6	95.4	172.2	178.4	0	0	0	0	105.7	K84 R88	K84-V86 VanDerWaalsContact C-N 3.31Å; K84-V86 PolarHBondContact O-N 3.49Å; V86-R88 VanDerWaalsContact C-N 3.34Å; V86-R88 PolarHBondContact O-N 3Å
87	A	25.9	Very low	27.7	Very low	80 Å²	80	141 Å²	141	66%	0.661	71%	0.705	S	S	*	*			trans	-57.4	103.8	160.8	0	0	0	0	0	106.8	V85 R89	V85-A87 PolarHBondContact O-N 3.26Å; V85-A87 VanDerWaalsContact O-N 3.1Å; A87-R89 PolarHBondContact O-N 2.83Å
88	R	24.5	Very low	28.4	Very low	240 Å²	240	142 Å²	142	91%	0.906	70%	0.697	S	S	*	*			trans	-60.1	97.3	-178.8	-78.1	178.1	170.2	170.3	-3.9	108.7	V86	V86-R88 VanDerWaalsContact C-N 3.34Å; V86-R88 PolarHBondContact O-N 3Å
89	R	28.5	Very low	29.2	Very low	155 Å²	155	140.5 Å²	140.5	59%	0.585	68%	0.681	S	S	*	*			trans	-69	144.6	168.9	-68.1	-177.8	177.6	-172.2	-2.5	108.9	A87	A87-R89 PolarHBondContact O-N 2.83Å
90	S	30.2	Very low	30	Very low	72 Å²	72	135.8 Å²	135.8	50%	0.503	67%	0.665	S	S	.	*			trans	-62.9	143	174.1	56.6	0	0	0	0	110.5	L92 T93	S90-L92 PolarHBondContact O-N 3.38Å; S90-T93 PolarHBondContact O-N 3.25Å; S90-T93 PolarHBondContact OG-OG1 3.18Å
91	S	32	Very low	30.5	Very low	100 Å²	100	137.5 Å²	137.5	70%	0.699	66%	0.662	S	S	*	*	H	α-helix	trans	-56.6	-22.8	-176.5	50.7	0	0	0	0	114.1	R95	S91-R95 PolarHBondContact O-N 3.32Å; S91-R95 VanDerWaalsContact O-N 3.13Å
92	L	31.7	Very low	31.2	Very low	119 Å²	119	134.5 Å²	134.5	62%	0.623	64%	0.642	S	S	*	*	H	α-helix	trans	-65.6	-38.4	175	-75.8	166.1	0	0	0	113.2	S90 R96	S90-L92 PolarHBondContact O-N 3.38Å; L92-R96 PolarHBondContact O-N 3.06Å; L92-R96 VanDerWaalsContact O-N 3.16Å
93	T	35.3	Very low	31.6	Very low	59 Å²	59	130.3 Å²	130.3	36%	0.362	63%	0.63	S	S	.	*	H	α-helix	trans	-71.7	-39	179.4	-44.7	0	0	0	0	110.7	S90 R96 D97	S90-T93 PolarHBondContact O-N 3.25Å; S90-T93 PolarHBondContact OG-OG1 3.18Å; T93-R96 PolarHBondContact O-N 2.94Å; T93-D97 PolarHBondContact O-N 3.33Å
94	V	33.2	Very low	32	Very low	76 Å²	76	123.4 Å²	123.4	46%	0.461	61%	0.612	S	S	.	*	H	α-helix	trans	-65.6	-43.6	178.8	-176.1	0	0	0	0	110.9	R96 D97 E98	V94-R96 PolarHBondContact O-N 2.92Å; V94-D97 PolarHBondContact O-N 2.76Å; V94-E98 PolarHBondContact O-N 2.89Å; V94-E98 VanDerWaalsContact O-N 3.15Å
95	R	32.3	Very low	32.3	Very low	191 Å²	191	121.6 Å²	121.6	72%	0.721	61%	0.606	S	S	*	*	H	α-helix	trans	-66	-36.3	177.4	-121.1	177.3	-174.8	164.2	1.9	113	S91 I99	S91-R95 PolarHBondContact O-N 3.32Å; S91-R95 VanDerWaalsContact O-N 3.13Å; R95-I99 WeakPolarHBondContact O-CD1 2.97Å; R95-I99 VanDerWaalsContact O-CG1 3.25Å; R95-I99 WeakPolarHBondContact O-CG1 3.21Å; R95-I99 PolarHBondContact O-N 2.87Å
96	R	34.5	Very low	32.8	Very low	174 Å²	174	119.9 Å²	119.9	66%	0.657	59%	0.592	S	S	*	*	H	α-helix	trans	-65.8	-45	174.6	-100.2	-176.1	167.9	156.8	-1.8	112	L92 T93 V94 E98 I99 L100	L92-R96 PolarHBondContact O-N 3.06Å; L92-R96 VanDerWaalsContact O-N 3.16Å; T93-R96 PolarHBondContact O-N 2.94Å; V94-R96 PolarHBondContact O-N 2.92Å; R96-E98 VanDerWaalsContact C-N 3.32Å; R96-E98 PolarHBondContact O-N 2.89Å; R96-I99 PolarHBondContact O-N 3.5Å; R96-L100 WeakPolarHBondContact O-CB 3.44Å; R96-L100 WeakPolarHBondContact O-CG 3.17Å; R96-L100 PolarHBondContact O-N 3Å
97	D	36.2	Very low	33.3	Very low	61 Å²	61	118.9 Å²	118.9	33%	0.326	58%	0.582	S	S	.	*	H	α-helix	trans	-63.2	-37.8	-179.9	-84	-10.1	0	0	0	112.2	T93 V94 R101	T93-D97 PolarHBondContact O-N 3.33Å; V94-D97 PolarHBondContact O-N 2.76Å; D97-R101 WeakPolarHBondContact O-CB 3.37Å; D97-R101 WeakPolarHBondContact O-CG 3.34Å; D97-R101 PolarHBondContact O-N 3.31Å
98	E	37	Very low	33.5	Very low	136 Å²	136	122 Å²	122	64%	0.636	59%	0.587	S	S	*	*	H	α-helix	trans	-72.9	-41	-178.4	-158.9	161.7	-153.2	0	0	112.1	V94 R96 L100 R101 S102	V94-E98 PolarHBondContact O-N 2.89Å; V94-E98 VanDerWaalsContact O-N 3.15Å; R96-E98 VanDerWaalsContact C-N 3.32Å; R96-E98 PolarHBondContact O-N 2.89Å; E98-L100 VanDerWaalsContact C-N 3.34Å; E98-R101 PolarHBondContact O-N 3.33Å; E98-S102 PolarHBondContact O-N 2.91Å
99	I	42.8	Very low	33.7	Very low	90 Å²	90	115.4 Å²	115.4	46%	0.462	58%	0.577	S	S	.	*	H	α-helix	trans	-65.2	-38.9	173.9	-66.6	167.6	0	0	0	111.1	R95 R96 K103	R95-I99 WeakPolarHBondContact O-CD1 2.97Å; R95-I99 VanDerWaalsContact O-CG1 3.25Å; R95-I99 WeakPolarHBondContact O-CG1 3.21Å; R95-I99 PolarHBondContact O-N 2.87Å; R96-I99 PolarHBondContact O-N 3.5Å; I99-K103 HydrophobicContact CG2-CD 4.14Å; I99-K103 WeakPolarHBondContact O-CG 3.17Å; I99-K103 PolarHBondContact O-N 2.78Å
100	L	37.3	Very low	33.9	Very low	106 Å²	106	112.1 Å²	112.1	56%	0.555	58%	0.578	S	S	*	*	H	α-helix	trans	-67.8	-43.2	177.4	-80.7	165.3	0	0	0	111.6	R96 E98 K103 L104	R96-L100 WeakPolarHBondContact O-CB 3.44Å; R96-L100 WeakPolarHBondContact O-CG 3.17Å; R96-L100 PolarHBondContact O-N 3Å; E98-L100 VanDerWaalsContact C-N 3.34Å; L100-K103 PolarHBondContact O-N 2.78Å; L100-L104 VanDerWaalsContact O-CB 3.31Å; L100-L104 WeakPolarHBondContact O-CB 3.25Å; L100-L104 PolarHBondContact O-N 3.43Å
101	R	36	Very low	34	Very low	182 Å²	182	115.3 Å²	115.3	69%	0.687	59%	0.589	S	S	*	*	H	α-helix	trans	-64.9	-42.2	177.7	-81.6	-174.1	176.2	123.2	0.4	113.3	D97 E98 L104 H105	D97-R101 WeakPolarHBondContact O-CB 3.37Å; D97-R101 WeakPolarHBondContact O-CG 3.34Å; D97-R101 PolarHBondContact O-N 3.31Å; E98-R101 PolarHBondContact O-N 3.33Å; R101-L104 PolarHBondContact O-N 3.42Å; R101-H105 PolarHBondContact O-N 3.09Å
102	S	36.1	Very low	33.9	Very low	73 Å²	73	116.5 Å²	116.5	51%	0.51	59%	0.594	S	S	.	*	H	α-helix	trans	-60.6	-45.6	175.9	160.1	0	0	0	0	111.2	E98 L104 H105 D106	E98-S102 PolarHBondContact O-N 2.91Å; S102-L104 VanDerWaalsContact C-N 3.35Å; S102-L104 PolarHBondContact O-N 3.09Å; S102-H105 PolarHBondContact O-N 2.79Å; S102-D106 PolarHBondContact O-N 3.08Å
103	K	35.2	Very low	33.8	Very low	125 Å²	125	117.2 Å²	117.2	54%	0.543	60%	0.598	S	S	.	*	H	α-helix	trans	-65.4	-37.2	176.4	-71.8	175.7	179.6	178.9	0	112.5	I99 L100 L107	I99-K103 HydrophobicContact CG2-CD 4.14Å; I99-K103 WeakPolarHBondContact O-CG 3.17Å; I99-K103 PolarHBondContact O-N 2.78Å; L100-K103 PolarHBondContact O-N 2.78Å; K103-L107 WeakPolarHBondContact O-CB 3.44Å; K103-L107 WeakPolarHBondContact O-CD1 3.45Å; K103-L107 WeakPolarHBondContact O-CG 3.35Å; K103-L107 PolarHBondContact O-N 3.33Å
104	L	29.7	Very low	33.8	Very low	108 Å²	108	120.1 Å²	120.1	57%	0.565	61%	0.611	S	S	*	*	H	α-helix	trans	-66.9	-36.2	-180	-153.3	100.3	0	0	0	112.3	L100 R101 S102 L107 L108	L100-L104 VanDerWaalsContact O-CB 3.31Å; L100-L104 WeakPolarHBondContact O-CB 3.25Å; L100-L104 PolarHBondContact O-N 3.43Å; R101-L104 PolarHBondContact O-N 3.42Å; S102-L104 VanDerWaalsContact C-N 3.35Å; S102-L104 PolarHBondContact O-N 3.09Å; L104-L107 PolarHBondContact O-N 3.5Å; L104-L108 PolarHBondContact O-N 3.22Å
105	H	32	Very low	33.9	Very low	147 Å²	147	123.2 Å²	123.2	68%	0.681	63%	0.625	S	S	*	*	H	α-helix	trans	-69.3	-42.3	179.9	-169.2	-76.7	0	0	0	111.7	R101 S102 L107	R101-H105 PolarHBondContact O-N 3.09Å; S102-H105 PolarHBondContact O-N 2.79Å; H105-L107 VanDerWaalsContact C-N 3.29Å; H105-L107 PolarHBondContact O-N 3.08Å
106	D	33.6	Very low	34.1	Very low	104 Å²	104	121.6 Å²	121.6	56%	0.556	63%	0.63	S	S	*	*	H	α-helix	trans	-66.4	-34.8	176.8	-64	-19.6	0	0	0	111.3	S102 S109	S102-D106 PolarHBondContact O-N 3.08Å; D106-S109 PolarHBondContact O-OG 2.96Å
107	L	35.4	Very low	34.2	Very low	98 Å²	98	115.9 Å²	115.9	51%	0.513	61%	0.611	S	S	.	*	H	α-helix	trans	-70.5	-31.3	-178.1	-80.3	163.3	0	0	0	114.6	K103 L104 H105 S109	K103-L107 WeakPolarHBondContact O-CB 3.44Å; K103-L107 WeakPolarHBondContact O-CD1 3.45Å; K103-L107 WeakPolarHBondContact O-CG 3.35Å; K103-L107 PolarHBondContact O-N 3.33Å; L104-L107 PolarHBondContact O-N 3.5Å; H105-L107 VanDerWaalsContact C-N 3.29Å; H105-L107 PolarHBondContact O-N 3.08Å; L107-S109 PolarHBondContact O-N 2.85Å
108	L	28.9	Very low	34.3	Very low	147 Å²	147	117 Å²	117	77%	0.77	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	-10.3	-179.2	-74.8	169.7	0	0	0	113.6	L104	L104-L108 PolarHBondContact O-N 3.22Å
109	S	28.8	Very low	34.2	Very low	100 Å²	100	118.9 Å²	118.9	70%	0.699	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	-4.8	-170.1	67.8	0	0	0	0	115.6	D106 L107	D106-S109 PolarHBondContact O-OG 2.96Å; L107-S109 PolarHBondContact O-N 2.85Å
110	S	32.8	Very low	33.9	Very low	87 Å²	87	120.6 Å²	120.6	61%	0.608	63%	0.632	S	S	*	*	S	Bend	trans	-124.9	3.9	-164.8	50.3	0	0	0	0	118.4
111	D	32.4	Very low	33.8	Very low	138 Å²	138	119 Å²	119	74%	0.738	62%	0.623	S	S	*	*			trans	-107.5	127.5	178.1	-96.3	-24.8	0	0	0	113.8
112	P	30.2	Very low	33.9	Very low	125 Å²	125	114.2 Å²	114.2	81%	0.812	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-76.9	127	174.6	28.4	-30	0	0	0	111.9
113	I	29.7	Very low	33.9	Very low	134 Å²	134	112.5 Å²	112.5	69%	0.687	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-86.3	123	-179.4	-59.4	169.1	0	0	0	109.3
114	D	35.9	Very low	33.8	Very low	121 Å²	121	110.3 Å²	110.3	65%	0.647	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-90.9	137.9	167.6	-167.1	2.6	0	0	0	110.9	R122	D114-R122 PolarHBondContact O-NH2 2.67Å
115	N	34.4	Very low	34.2	Very low	140 Å²	140	109.8 Å²	109.8	75%	0.749	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-8.1	-159.2	-78	-25.3	0	0	0	115.6
116	N	37.9	Very low	34.3	Very low	157 Å²	157	106 Å²	106	84%	0.84	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.9	18.6	-172.5	-76.5	-16.2	0	0	0	116
117	E	36	Very low	34.3	Very low	54 Å²	54	101.9 Å²	101.9	25%	0.252	54%	0.54	S	S	.	.			trans	-93.2	131.4	-176.6	-133.8	-176.6	173.9	0	0	112.9	R122 R125	E117-R122 HydrophobicContact CB-CG 4.06Å; E117-R122 HydrophobicContact CG-CG 3.96Å; E117-R122 WeakPolarHBondContact OE2-CG 3.27Å; E117-R122 IonicContact OE2-CZ 3.93Å; E117-R122 IonicContact OE2-NE 2.72Å; E117-R122 PolarHBondContact OE2-NE 2.82Å; E117-R125 IonicContact OE1-CZ 3.27Å; E117-R125 IonicContact OE1-NE 2.67Å; E117-R125 PolarHBondContact OE1-NE 3.25Å; E117-R125 IonicContact OE1-NH2 3Å; E117-R125 PolarHBondContact OE1-NH2 3.06Å; E117-R125 IonicContact OE2-NH2 3.24Å; E117-R125 PolarHBondContact OE2-NH2 2.96Å
118	N	37.8	Very low	34.1	Very low	85 Å²	85	99.8 Å²	99.8	46%	0.455	53%	0.528	S	S	.	.			trans	-83.9	159.3	174.8	87.7	24.6	0	0	0	112.8	Q120 M121 R122	N118-Q120 PolarHBondContact O-N 2.81Å; N118-Q120 PolarHBondContact OD1-N 3.03Å; N118-M121 PolarHBondContact ND2-SD 2.96Å; N118-M121 PolarHBondContact O-N 2.72Å; N118-M121 VanDerWaalsContact OD1-CB 3.25Å; N118-M121 WeakPolarHBondContact OD1-CB 3.46Å; N118-M121 WeakPolarHBondContact OD1-CG 3.19Å; N118-M121 PolarHBondContact OD1-N 2.97Å; N118-R122 PolarHBondContact O-N 2.83Å
119	Q	35	Very low	34.3	Very low	176 Å²	176	95 Å²	95	82%	0.822	51%	0.505	S	S	*	.	H	α-helix	trans	-66.4	-36.4	-167.7	-157.2	171.4	6.1	0	0	114.1	S123	Q119-S123 WeakPolarHBondContact O-CB 3.42Å; Q119-S123 PolarHBondContact O-N 3.33Å
120	Q	36	Very low	34.7	Very low	125 Å²	125	90.7 Å²	90.7	58%	0.584	47%	0.474	S	S	*	.	H	α-helix	trans	-73.1	-38.6	178.2	-166.3	70.2	13	0	0	111.4	N118 S123 N124	N118-Q120 PolarHBondContact O-N 2.81Å; N118-Q120 PolarHBondContact OD1-N 3.03Å; Q120-S123 PolarHBondContact O-N 2.8Å; Q120-N124 WeakPolarHBondContact O-CB 3.32Å; Q120-N124 PolarHBondContact O-N 2.87Å
121	M	36.1	Very low	34.8	Very low	72 Å²	72	86.8 Å²	86.8	36%	0.355	45%	0.448	S	S	.	.	H	α-helix	trans	-72.6	-35.7	177.4	-67.7	170	70	0	0	111.7	N118 R125 P495	N118-M121 PolarHBondContact ND2-SD 2.96Å; N118-M121 PolarHBondContact O-N 2.72Å; N118-M121 VanDerWaalsContact OD1-CB 3.25Å; N118-M121 WeakPolarHBondContact OD1-CB 3.46Å; N118-M121 WeakPolarHBondContact OD1-CG 3.19Å; N118-M121 PolarHBondContact OD1-N 2.97Å; M121-R125 WeakPolarHBondContact O-CB 3.34Å; M121-R125 PolarHBondContact O-N 3.23Å; M121-P495 HydrophobicContact CE-CG 3.1Å
122	R	38	Very low	34.7	Very low	83 Å²	83	81.1 Å²	81.1	31%	0.313	42%	0.416	S	S	.	.	H	α-helix	trans	-57.3	-50.7	165.2	-96.4	-176.2	-177.6	167.8	5.6	111	D114 E117 N118 Q126	D114-R122 PolarHBondContact O-NH2 2.67Å; E117-R122 HydrophobicContact CB-CG 4.06Å; E117-R122 HydrophobicContact CG-CG 3.96Å; E117-R122 WeakPolarHBondContact OE2-CG 3.27Å; E117-R122 IonicContact OE2-CZ 3.93Å; E117-R122 IonicContact OE2-NE 2.72Å; E117-R122 PolarHBondContact OE2-NE 2.82Å; N118-R122 PolarHBondContact O-N 2.83Å; R122-Q126 WeakPolarHBondContact O-CB 3.22Å; R122-Q126 WeakPolarHBondContact O-CG 3.39Å; R122-Q126 PolarHBondContact O-N 3.34Å
123	S	35.3	Very low	34.7	Very low	37 Å²	37	76.3 Å²	76.3	26%	0.259	38%	0.384	S	S	.	.	H	α-helix	trans	-60.5	-48.4	-179.1	-169.8	0	0	0	0	112.3	Q119 Q120 Q126 A127	Q119-S123 WeakPolarHBondContact O-CB 3.42Å; Q119-S123 PolarHBondContact O-N 3.33Å; Q120-S123 PolarHBondContact O-N 2.8Å; S123-Q126 PolarHBondContact O-N 3Å; S123-A127 VanDerWaalsContact O-CB 3.23Å; S123-A127 WeakPolarHBondContact O-CB 3.2Å; S123-A127 PolarHBondContact O-N 3.3Å
124	N	34.1	Very low	34.9	Very low	78 Å²	78	73 Å²	73	42%	0.417	36%	0.363	S	S	.	.	H	α-helix	trans	-70.2	-39.5	-179	-74.7	-9.5	0	0	0	112.8	Q120 A127 Q128	Q120-N124 WeakPolarHBondContact O-CB 3.32Å; Q120-N124 PolarHBondContact O-N 2.87Å; N124-A127 PolarHBondContact O-N 2.86Å; N124-Q128 WeakPolarHBondContact O-CB 3.48Å; N124-Q128 WeakPolarHBondContact O-CG 3.42Å; N124-Q128 PolarHBondContact O-N 2.78Å
125	R	37.6	Very low	34.6	Very low	98 Å²	98	71.5 Å²	71.5	37%	0.37	35%	0.348	S	S	.	.	H	α-helix	trans	-68.5	-40.2	176.4	-170	175.2	74.3	117.3	-1.8	111.1	E117 M121 A127 V129	E117-R125 IonicContact OE1-CZ 3.27Å; E117-R125 IonicContact OE1-NE 2.67Å; E117-R125 PolarHBondContact OE1-NE 3.25Å; E117-R125 IonicContact OE1-NH2 3Å; E117-R125 PolarHBondContact OE1-NH2 3.06Å; E117-R125 IonicContact OE2-NH2 3.24Å; E117-R125 PolarHBondContact OE2-NH2 2.96Å; M121-R125 WeakPolarHBondContact O-CB 3.34Å; M121-R125 PolarHBondContact O-N 3.23Å; R125-A127 VanDerWaalsContact C-N 3.33Å; R125-V129 VanDerWaalsContact O-CG2 3.24Å; R125-V129 WeakPolarHBondContact O-CG2 3.27Å; R125-V129 PolarHBondContact O-N 2.83Å
126	Q	34.5	Very low	34.1	Very low	67 Å²	67	66.5 Å²	66.5	31%	0.313	33%	0.329	S	S	.	.	H	α-helix	trans	-71.9	-23.5	175.5	-69.5	171.8	1.6	0	0	112.9	R122 S123 S130	R122-Q126 WeakPolarHBondContact O-CB 3.22Å; R122-Q126 WeakPolarHBondContact O-CG 3.39Å; R122-Q126 PolarHBondContact O-N 3.34Å; S123-Q126 PolarHBondContact O-N 3Å; Q126-S130 WeakPolarHBondContact O-CB 3.05Å; Q126-S130 PolarHBondContact O-OG 2.87Å
127	A	33.9	Very low	33.6	Very low	17 Å²	17	61.5 Å²	61.5	14%	0.14	30%	0.303	C	S	.	.	H	α-helix	trans	-84.4	-40.3	173.8	0	0	0	0	0	113	S123 N124 R125 S130 A131 S843	S123-A127 VanDerWaalsContact O-CB 3.23Å; S123-A127 WeakPolarHBondContact O-CB 3.2Å; S123-A127 PolarHBondContact O-N 3.3Å; N124-A127 PolarHBondContact O-N 2.86Å; R125-A127 VanDerWaalsContact C-N 3.33Å; A127-S130 CarbonylContact O-C 3.47Å; A127-S130 PolarHBondContact O-N 3.33Å; A127-A131 PolarHBondContact O-N 2.93Å; A127-S843 PolarHBondContact O-OG 2.83Å
128	Q	31.6	Very low	33.2	Very low	55 Å²	55	63.1 Å²	63.1	26%	0.257	31%	0.307	S	S	.	.	H	α-helix	trans	-75.3	-36.5	-175.6	-85.8	-173.8	-7.1	0	0	115	N124 S130 S493	N124-Q128 WeakPolarHBondContact O-CB 3.48Å; N124-Q128 WeakPolarHBondContact O-CG 3.42Å; N124-Q128 PolarHBondContact O-N 2.78Å; Q128-S130 PolarHBondContact O-N 2.88Å; Q128-S493 PolarHBondContact NE2-OG 3.36Å; Q128-S493 VanDerWaalsContact NE2-OG 3.1Å
129	V	32.8	Very low	32.8	Very low	47 Å²	47	64.1 Å²	64.1	29%	0.285	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-17.6	173.2	172	0	0	0	0	110.3	R125 G841	R125-V129 VanDerWaalsContact O-CG2 3.24Å; R125-V129 WeakPolarHBondContact O-CG2 3.27Å; R125-V129 PolarHBondContact O-N 2.83Å; V129-G841 CarbonylContact C-O 3.57Å
130	S	36.9	Very low	32.2	Very low	8 Å²	8	56.3 Å²	56.3	6%	0.056	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.7	8.8	-150.8	-29.8	0	0	0	0	114.8	Q126 A127 Q128 G841 E842 S843	Q126-S130 WeakPolarHBondContact O-CB 3.05Å; Q126-S130 PolarHBondContact O-OG 2.87Å; A127-S130 CarbonylContact O-C 3.47Å; A127-S130 PolarHBondContact O-N 3.33Å; Q128-S130 PolarHBondContact O-N 2.88Å; S130-G841 WeakPolarHBondContact CA-O 3.33Å; S130-G841 WeakPolarHBondContact CB-O 3.48Å; S130-G841 PolarHBondContact N-O 3Å; S130-G841 PolarHBondContact OG-O 2.84Å; S130-E842 VanDerWaalsContact C-CA 3.44Å; S130-E842 CarbonylContact O-C 3.58Å; S130-E842 VanDerWaalsContact O-C 3.25Å; S130-E842 WeakPolarHBondContact O-CA 3.48Å; S130-E842 WeakPolarHBondContact O-CB 3.43Å; S130-E842 WeakPolarHBondContact O-CG 3.45Å; S130-S843 VanDerWaalsContact C-N 3.3Å; S130-S843 VanDerWaalsContact CB-OG 3.31Å; S130-S843 WeakPolarHBondContact CB-OG 3.41Å; S130-S843 PolarHBondContact O-N 3.15Å; S130-S843 PolarHBondContact O-OG 3.46Å
131	A	34.6	Very low	31.7	Very low	6 Å²	6	51.5 Å²	51.5	5%	0.05	25%	0.254	C	S	.	.	S	Bend	trans	-94.3	10	170.5	0	0	0	0	0	113.8	A127 R135 E842	A127-A131 PolarHBondContact O-N 2.93Å; A131-R135 PolarHBondContact O-NE 2.82Å; A131-E842 VanDerWaalsContact O-OE1 3.11Å
132	K	29.9	Very low	31.1	Very low	19 Å²	19	49.6 Å²	49.6	8%	0.083	25%	0.245	C	C	.	.	S	Bend	trans	-117	-25.7	-166.6	-63.4	169.2	144.6	149.5	0	121	R135 E486 R512 E842	K132-R135 WeakPolarHBondContact O-CB 3.36Å; K132-E486 HydrophobicContact CD-CG 4.21Å; K132-E486 WeakPolarHBondContact CD-OE1 3.33Å; K132-E486 WeakPolarHBondContact CD-OE2 3.39Å; K132-E486 WeakPolarHBondContact CE-OE1 3.17Å; K132-E486 WeakPolarHBondContact CE-OE2 2.91Å; K132-E486 IonicContact NZ-OE1 2.68Å; K132-E486 PolarHBondContact NZ-OE1 3.33Å; K132-E486 IonicContact NZ-OE2 3.11Å; K132-E486 PolarHBondContact NZ-OE2 3.48Å; K132-R512 PolarHBondContact O-NH2 2.95Å; K132-E842 WeakPolarHBondContact CA-OE1 3.15Å; K132-E842 VanDerWaalsContact N-CG 3.33Å; K132-E842 PolarHBondContact N-OE1 2.88Å
133	L	31.2	Very low	30.4	Very low	24 Å²	24	50.4 Å²	50.4	13%	0.126	25%	0.249	C	C	.	.	S	Bend	trans	-87.7	-5.7	177.2	-130.2	142.5	0	0	0	120.8	R512 P513 S840 E842	L133-R512 HydrophobicContact CD1-CB 3.38Å; L133-R512 HydrophobicContact CD1-CG 3.28Å; L133-R512 HydrophobicContact CG-CB 4.05Å; L133-R512 HydrophobicContact CG-CG 4.32Å; L133-P513 HydrophobicContact CD2-CB 3.93Å; L133-P513 HydrophobicContact CD2-CG 3.52Å; L133-S840 VanDerWaalsContact CB-CB 3.48Å; L133-S840 WeakPolarHBondContact CB-O 3.32Å; L133-S840 VanDerWaalsContact CD1-CA 3.41Å; L133-S840 WeakPolarHBondContact CD1-O 3.43Å; L133-S840 VanDerWaalsContact CD2-CB 3.47Å; L133-S840 WeakPolarHBondContact CG-O 3.37Å; L133-E842 VanDerWaalsContact CA-CG 3.46Å; L133-E842 WeakPolarHBondContact CA-OE1 3.43Å; L133-E842 HydrophobicContact CB-CB 4.42Å; L133-E842 HydrophobicContact CB-CG 3.57Å; L133-E842 PolarHBondContact N-OE1 2.79Å
134	R	32.5	Very low	29.7	Very low	64 Å²	64	49.3 Å²	49.3	24%	0.242	24%	0.243	C	C	.	.	S	Bend	trans	-91.4	-13	154	-64	-177.5	-126.8	-137.6	-25.6	111.4	G136 Y138 E842 E844	R134-G136 PolarHBondContact O-N 3.45Å; R134-Y138 HydrophobicContact CB-CE2 3.49Å; R134-Y138 VanDerWaalsContact CB-CE2 3.49Å; R134-Y138 WeakPolarHBondContact CB-OH 3.42Å; R134-Y138 VanDerWaalsContact CD-OH 3.22Å; R134-Y138 WeakPolarHBondContact CD-OH 3.25Å; R134-Y138 WeakPolarHBondContact O-CD2 3.39Å; R134-Y138 WeakPolarHBondContact O-CE2 3.41Å; R134-E842 WeakPolarHBondContact CA-OE2 3.3Å; R134-E842 WeakPolarHBondContact CB-OE2 3.2Å; R134-E842 WeakPolarHBondContact CG-OE2 3.33Å; R134-E842 PolarHBondContact N-OE1 3.48Å; R134-E842 PolarHBondContact N-OE2 3.14Å; R134-E842 IonicContact NE-OE2 3.49Å; R134-E842 PolarHBondContact NE-OE2 2.72Å; R134-E844 IonicContact CZ-OE1 2.87Å; R134-E844 IonicContact CZ-OE2 3.4Å; R134-E844 IonicContact NH1-OE1 2.94Å; R134-E844 PolarHBondContact NH1-OE1 3.19Å; R134-E844 IonicContact NH1-OE2 2.65Å; R134-E844 PolarHBondContact NH1-OE2 3.4Å; R134-E844 IonicContact NH2-OE1 3.6Å; R134-E844 IonicContact NH2-OE2 3.89Å; R134-E844 PolarHBondContact NH2-OE2 2.93Å
135	R	30.9	Very low	29.1	Very low	90 Å²	90	50.5 Å²	50.5	34%	0.34	26%	0.255	S	S	.	.			trans	-63.8	20.4	159.2	-57.3	-175.3	179.8	175.8	1.4	113.8	A131 K132 N137 E842	A131-R135 PolarHBondContact O-NE 2.82Å; K132-R135 WeakPolarHBondContact O-CB 3.36Å; R135-N137 PolarHBondContact O-N 3.02Å; R135-E842 PolarHBondContact N-OE1 3.33Å
136	G	24.1	Very low	28.4	Very low	35 Å²	35	50.2 Å²	50.2	36%	0.361	26%	0.258	S	S	.	.	S	Bend	trans	-57.6	80	153.7	0	0	0	0	0	108.9	R134 Y138	R134-G136 PolarHBondContact O-N 3.45Å; G136-Y138 PolarHBondContact O-N 3.06Å
137	N	27.8	Very low	28	Very low	52 Å²	52	53.2 Å²	53.2	28%	0.278	28%	0.276	S	S	.	.			trans	39.1	61.5	171.3	-66.4	-28.2	0	0	0	113.4	R135 D139 L140	R135-N137 PolarHBondContact O-N 3.02Å; N137-D139 PolarHBondContact O-N 2.72Å; N137-L140 HydrophobicContact CB-CB 3.86Å; N137-L140 HydrophobicContact CB-CD1 3.54Å; N137-L140 HydrophobicContact CB-CG 3.68Å; N137-L140 VanDerWaalsContact CG-CD1 3.41Å; N137-L140 VanDerWaalsContact ND2-CD1 3.25Å; N137-L140 WeakPolarHBondContact ND2-CD1 3.44Å; N137-L140 PolarHBondContact O-N 3.22Å
138	Y	27.3	Very low	27.6	Very low	88 Å²	88	56.1 Å²	56.1	35%	0.345	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-23.8	169.7	-93.4	-65.9	0	0	0	112.5	R134 G136	R134-Y138 HydrophobicContact CB-CE2 3.49Å; R134-Y138 VanDerWaalsContact CB-CE2 3.49Å; R134-Y138 WeakPolarHBondContact CB-OH 3.42Å; R134-Y138 VanDerWaalsContact CD-OH 3.22Å; R134-Y138 WeakPolarHBondContact CD-OH 3.25Å; R134-Y138 WeakPolarHBondContact O-CD2 3.39Å; R134-Y138 WeakPolarHBondContact O-CE2 3.41Å; G136-Y138 PolarHBondContact O-N 3.06Å
139	D	28.3	Very low	27.2	Very low	106 Å²	106	60 Å²	60	57%	0.567	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-31.3	175	-61.6	-33.2	0	0	0	112.6	N137 K943	N137-D139 PolarHBondContact O-N 2.72Å; D139-K943 HydrophobicContact CB-CD 3.69Å; D139-K943 WeakPolarHBondContact O-CD 3.33Å; D139-K943 WeakPolarHBondContact O-CE 3.21Å; D139-K943 WeakPolarHBondContact O-CG 3.33Å; D139-K943 PolarHBondContact O-NZ 3.4Å
140	L	23.8	Very low	26.8	Very low	11 Å²	11	63 Å²	63	6%	0.058	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-15.8	-165.1	-61.1	175.5	0	0	0	118	N137 K943 L1130	N137-L140 HydrophobicContact CB-CB 3.86Å; N137-L140 HydrophobicContact CB-CD1 3.54Å; N137-L140 HydrophobicContact CB-CG 3.68Å; N137-L140 VanDerWaalsContact CG-CD1 3.41Å; N137-L140 VanDerWaalsContact ND2-CD1 3.25Å; N137-L140 WeakPolarHBondContact ND2-CD1 3.44Å; N137-L140 PolarHBondContact O-N 3.22Å; L140-K943 VanDerWaalsContact CD2-CE 3.47Å; L140-L1130 HydrophobicContact CD2-CB 3.57Å; L140-L1130 HydrophobicContact CD2-CD2 3.42Å; L140-L1130 VanDerWaalsContact CD2-CD2 3.42Å; L140-L1130 HydrophobicContact CD2-CG 4.09Å; L140-L1130 VanDerWaalsContact CD2-O 3.23Å; L140-L1130 WeakPolarHBondContact CD2-O 3.14Å
141	L	23.6	Very low	26.1	Very low	25 Å²	25	68.9 Å²	68.9	13%	0.131	35%	0.35	C	S	.	.	S	Bend	trans	-143.3	56.9	-162.5	-60.5	170.4	0	0	0	114.4	S1123 H1132	L141-S1123 WeakPolarHBondContact CD2-OG 3.46Å; L141-H1132 HydrophobicContact CD2-CB 4.33Å
142	N	23.7	Very low	25.5	Very low	31 Å²	31	74.5 Å²	74.5	17%	0.166	38%	0.384	C	S	.	.			trans	-147.5	103.7	179.4	-84.3	-47.6	0	0	0	114.7	R1075	N142-R1075 VanDerWaalsContact OD1-CZ 3.26Å; N142-R1075 PolarHBondContact OD1-NH1 2.6Å; N142-R1075 PolarHBondContact OD1-NH2 2.9Å
143	Y	23.2	Very low	25.2	Very low	100 Å²	100	78.3 Å²	78.3	39%	0.392	41%	0.409	S	S	.	.			trans	-162.8	113.8	140.8	-116.3	-84.1	0	0	0	108.6	V940 T944	Y143-V940 WeakPolarHBondContact OH-CG1 3.34Å; Y143-T944 VanDerWaalsContact CD2-OG1 3.3Å; Y143-T944 WeakPolarHBondContact CD2-OG1 3.49Å
144	A	22.2	Very low	24.8	Very low	15 Å²	15	82.2 Å²	82.2	12%	0.124	44%	0.439	C	S	.	.			trans	-157	135.9	159	0	0	0	0	0	107	Q146	A144-Q146 PolarHBondContact O-N 2.96Å; A144-Q146 VanDerWaalsContact O-N 3.12Å
145	P	21.6	Very low	24.5	Very low	103 Å²	103	88.8 Å²	88.8	67%	0.669	47%	0.469	S	S	*	.			trans	-57	118.2	170.6	-19.5	30.7	0	0	0	109.2
146	Q	23.3	Very low	24.2	Very low	92 Å²	92	91.4 Å²	91.4	43%	0.43	49%	0.489	S	S	.	.	S	Bend	trans	-69.6	132.2	171.7	-69.4	178.9	-34.2	0	0	108	A144	A144-Q146 PolarHBondContact O-N 2.96Å; A144-Q146 VanDerWaalsContact O-N 3.12Å
147	D	24.5	Very low	24.2	Very low	129 Å²	129	95 Å²	95	69%	0.69	51%	0.51	S	S	*	.			trans	137.3	62.4	163.4	-69.2	-18.1	0	0	0	111.8	R1388	D147-R1388 PolarHBondContact O-NH2 2.72Å
148	Q	25.1	Very low	24	Very low	79 Å²	79	100.4 Å²	100.4	37%	0.369	53%	0.533	S	S	.	.			trans	-145.9	76.6	169.1	-67.9	-171.7	1	0	0	110.5	S1050	Q148-S1050 VanDerWaalsContact OE1-CB 3.3Å; Q148-S1050 PolarHBondContact OE1-OG 3.33Å
149	I	24.2	Very low	23.9	Very low	135 Å²	135	105.8 Å²	105.8	69%	0.692	56%	0.559	S	S	*	*			trans	-110.4	112.6	161.3	-60.1	177.2	0	0	0	106.9	K151 L1077	I149-K151 PolarHBondContact O-N 2.93Å; I149-L1077 HydrophobicContact CG1-CD2 4.33Å; I149-L1077 HydrophobicContact CG2-CD2 4.17Å
150	V	23.8	Very low	23.5	Very low	111 Å²	111	106.2 Å²	106.2	67%	0.673	57%	0.57	S	S	*	*			trans	-70.6	120.6	172.3	177.7	0	0	0	0	107.7	T152	V150-T152 PolarHBondContact O-N 2.94Å
151	K	22.9	Very low	23.5	Very low	131 Å²	131	109.4 Å²	109.4	57%	0.57	61%	0.605	S	S	*	*			trans	-64	122.3	167.9	-76.1	178.2	-180	173.6	0	108.9	I149 T153 E1350	I149-K151 PolarHBondContact O-N 2.93Å; K151-T153 PolarHBondContact O-N 3.11Å; K151-E1350 IonicContact NZ-OE1 2.86Å; K151-E1350 PolarHBondContact NZ-OE1 3.17Å; K151-E1350 VanDerWaalsContact NZ-OE1 3.16Å
152	T	22.5	Very low	23.4	Very low	125 Å²	125	117.2 Å²	117.2	77%	0.767	64%	0.641	S	S	*	*			trans	-76.4	113	159	40.3	0	0	0	0	107.9	V150 S154	V150-T152 PolarHBondContact O-N 2.94Å; T152-S154 PolarHBondContact O-N 3.09Å
153	T	23.6	Very low	23.5	Very low	99 Å²	99	123.6 Å²	123.6	61%	0.607	67%	0.674	S	S	*	*			trans	-73.6	105.7	-176.8	40.2	0	0	0	0	110.8	K151	K151-T153 PolarHBondContact O-N 3.11Å
154	S	23	Very low	23.5	Very low	106 Å²	106	123.8 Å²	123.8	74%	0.741	69%	0.689	S	S	*	*			trans	-80.1	111.3	159.4	54.4	0	0	0	0	108.3	T152 D156	T152-S154 PolarHBondContact O-N 3.09Å; S154-D156 PolarHBondContact O-N 3.21Å
155	K	25.4	Very low	23.6	Very low	202 Å²	202	131.3 Å²	131.3	88%	0.878	72%	0.721	S	S	*	*			trans	-74.4	110.3	174.3	-75.8	-173.2	174.1	-174.9	0	110.2
156	D	23.9	Very low	23.8	Very low	144 Å²	144	138.1 Å²	138.1	77%	0.77	73%	0.734	S	S	*	*			trans	-94.5	163.7	158.4	-82	-36.4	0	0	0	110.3	S154	S154-D156 PolarHBondContact O-N 3.21Å
157	S	25.6	Very low	23.8	Very low	112 Å²	112	144.8 Å²	144.8	78%	0.783	76%	0.757	S	S	*	*			trans	84.8	129.1	177.2	81.6	0	0	0	0	113.9
158	E	22.4	Very low	23.8	Very low	165 Å²	165	142.3 Å²	142.3	77%	0.771	75%	0.754	S	S	*	*			cis	-153	147.8	15.9	-63.8	175	141.7	0	0	108.7
159	F	24.5	Very low	23.8	Very low	201 Å²	201	146.3 Å²	146.3	88%	0.882	78%	0.777	S	S	*	*				169.9	135.9	129.8	-101.2	-78.3	0	0	0	111.6
160	S	21.4	Very low	24.1	Very low	114 Å²	114	143.2 Å²	143.2	80%	0.797	76%	0.764	S	S	*	*			trans	-70.8	149.8	-176.1	44.2	0	0	0	0	115.1
161	G	23.6	Very low	24.6	Very low	78 Å²	78	141.6 Å²	141.6	80%	0.804	76%	0.758	S	S	*	*			trans	149.8	120.8	164.9	0	0	0	0	0	113.7
162	E	21.7	Very low	24.9	Very low	189 Å²	189	141.7 Å²	141.7	88%	0.883	76%	0.764	S	S	*	*			trans	-59.5	138.7	-174.3	-61.3	168.2	148.3	0	0	114.7
163	I	24.9	Very low	25.4	Very low	166 Å²	166	145.5 Å²	145.5	85%	0.851	77%	0.765	S	S	*	*			trans	158.3	128.7	131.9	-77.4	158.2	0	0	0	110.3
164	S	23.5	Very low	25.9	Very low	103 Å²	103	142.3 Å²	142.3	72%	0.72	75%	0.748	S	S	*	*			trans	-16.9	124.1	178.6	-62.2	0	0	0	0	121
165	H	23.7	Very low	26.3	Very low	173 Å²	173	141.5 Å²	141.5	80%	0.801	73%	0.731	S	S	*	*			trans	36.7	87.5	135.9	-72.6	-80.1	0	0	0	118.1
166	R	26	Very low	26.7	Very low	246 Å²	246	138.4 Å²	138.4	93%	0.928	72%	0.722	S	S	*	*			trans	-165	111	136.1	-103.2	165.4	-160.5	-169.4	6.3	109.5	A168	R166-A168 PolarHBondContact O-N 3.12Å
167	Y	24.1	Very low	27.1	Very low	232 Å²	232	137.8 Å²	137.8	91%	0.91	72%	0.716	S	S	*	*			trans	-61.7	109.2	171.1	-78.1	-92.2	0	0	0	110.3
168	A	24.4	Very low	27.6	Very low	77 Å²	77	135.9 Å²	135.9	64%	0.636	70%	0.699	S	S	*	*			trans	176.4	92.4	149.9	0	0	0	0	0	111	R166	R166-A168 PolarHBondContact O-N 3.12Å
169	I	24.8	Very low	28.3	Very low	164 Å²	164	130.9 Å²	130.9	84%	0.841	68%	0.682	S	S	*	*			trans	-119.2	83.6	164	-55.3	178.3	0	0	0	108.3
170	T	31.4	Very low	28.9	Very low	69 Å²	69	125 Å²	125	42%	0.423	66%	0.663	S	S	.	*			trans	-79.8	144.6	154	46.3	0	0	0	0	108.2	K175	T170-K175 VanDerWaalsContact O-CE 3.27Å; T170-K175 WeakPolarHBondContact O-CE 3.41Å; T170-K175 WeakPolarHBondContact O-CG 3.44Å; T170-K175 VanDerWaalsContact OG1-CG 3.3Å; T170-K175 WeakPolarHBondContact OG1-CG 3.29Å
171	S	32.9	Very low	29.4	Very low	78 Å²	78	121.8 Å²	121.8	55%	0.545	64%	0.644	S	S	.	*			trans	-55.7	152.2	-179	74.7	0	0	0	0	111.8	R173 A174 K175	S171-R173 PolarHBondContact O-N 3.24Å; S171-A174 CarbonylContact O-C 3.57Å; S171-A174 WeakPolarHBondContact O-CA 3.49Å; S171-A174 WeakPolarHBondContact O-CB 2.97Å; S171-A174 PolarHBondContact O-N 2.64Å; S171-A174 WeakPolarHBondContact OG-CB 3.46Å; S171-A174 PolarHBondContact OG-N 3.07Å; S171-K175 PolarHBondContact O-N 3.43Å
172	N	30.1	Very low	29.7	Very low	133 Å²	133	123.3 Å²	123.3	71%	0.711	63%	0.632	S	S	*	*	H	α-helix	trans	-54.6	-29.3	-177.3	-78.9	-19.1	0	0	0	114.1	M176	N172-M176 WeakPolarHBondContact O-CB 3.33Å; N172-M176 PolarHBondContact O-N 2.68Å
173	R	33.4	Very low	30.1	Very low	205 Å²	205	119.4 Å²	119.4	77%	0.774	62%	0.617	S	S	*	*	H	α-helix	trans	-74.9	-38.2	173.5	-167.2	173.1	-177	165	1	112.4	S171 M176 M177	S171-R173 PolarHBondContact O-N 3.24Å; R173-M176 PolarHBondContact O-N 3.06Å; R173-M177 WeakPolarHBondContact O-CB 3.5Å; R173-M177 VanDerWaalsContact O-CG 3.31Å; R173-M177 WeakPolarHBondContact O-CG 3.24Å; R173-M177 PolarHBondContact O-N 3.14Å
174	A	32.7	Very low	30.4	Very low	31 Å²	31	116.1 Å²	116.1	26%	0.256	61%	0.605	S	S	.	*	H	α-helix	trans	-71.7	-33.9	171.7	0	0	0	0	0	112.2	S171 M177 V178	S171-A174 CarbonylContact O-C 3.57Å; S171-A174 WeakPolarHBondContact O-CA 3.49Å; S171-A174 WeakPolarHBondContact O-CB 2.97Å; S171-A174 PolarHBondContact O-N 2.64Å; S171-A174 WeakPolarHBondContact OG-CB 3.46Å; S171-A174 PolarHBondContact OG-N 3.07Å; A174-M177 PolarHBondContact O-N 3.44Å; A174-V178 WeakPolarHBondContact O-CB 3.45Å; A174-V178 WeakPolarHBondContact O-CG2 3.04Å; A174-V178 PolarHBondContact O-N 3.19Å
175	K	31.6	Very low	30.7	Very low	89 Å²	89	116.4 Å²	116.4	39%	0.387	61%	0.606	S	S	.	*	H	α-helix	trans	-62.8	-44	169.5	-80.3	-179.6	178.5	179.5	0	111	T170 S171 S179	T170-K175 VanDerWaalsContact O-CE 3.27Å; T170-K175 WeakPolarHBondContact O-CE 3.41Å; T170-K175 WeakPolarHBondContact O-CG 3.44Å; T170-K175 VanDerWaalsContact OG1-CG 3.3Å; T170-K175 WeakPolarHBondContact OG1-CG 3.29Å; S171-K175 PolarHBondContact O-N 3.43Å; K175-S179 WeakPolarHBondContact O-CA 2.99Å; K175-S179 WeakPolarHBondContact O-CB 3.36Å; K175-S179 PolarHBondContact O-N 3.36Å
176	M	33.9	Very low	30.9	Very low	138 Å²	138	112 Å²	112	68%	0.68	59%	0.594	S	S	*	*	H	α-helix	trans	-62.8	-50.4	172.5	-85.6	-94.5	166.6	0	0	110.9	N172 R173 V178 S179 T180	N172-M176 WeakPolarHBondContact O-CB 3.33Å; N172-M176 PolarHBondContact O-N 2.68Å; R173-M176 PolarHBondContact O-N 3.06Å; M176-V178 PolarHBondContact O-N 3.25Å; M176-S179 PolarHBondContact O-N 2.82Å; M176-T180 VanDerWaalsContact O-CB 3.22Å; M176-T180 WeakPolarHBondContact O-CB 3.47Å; M176-T180 PolarHBondContact O-N 2.68Å; M176-T180 PolarHBondContact O-OG1 3.36Å
177	M	32.3	Very low	30.9	Very low	131 Å²	131	104.5 Å²	104.5	65%	0.645	59%	0.585	S	S	*	*	H	α-helix	trans	-65.1	-37.6	-178.6	-70.4	-179.8	95.9	0	0	113.4	R173 A174 A181	R173-M177 WeakPolarHBondContact O-CB 3.5Å; R173-M177 VanDerWaalsContact O-CG 3.31Å; R173-M177 WeakPolarHBondContact O-CG 3.24Å; R173-M177 PolarHBondContact O-N 3.14Å; A174-M177 PolarHBondContact O-N 3.44Å; M177-A181 WeakPolarHBondContact O-CB 3.04Å; M177-A181 PolarHBondContact O-N 3.2Å
178	V	36.5	Very low	31.1	Very low	72 Å²	72	98.4 Å²	98.4	44%	0.436	58%	0.576	S	S	.	*	H	α-helix	trans	-79.2	-36.9	177.8	175.2	0	0	0	0	111.3	A174 M176 A181 L182	A174-V178 WeakPolarHBondContact O-CB 3.45Å; A174-V178 WeakPolarHBondContact O-CG2 3.04Å; A174-V178 PolarHBondContact O-N 3.19Å; M176-V178 PolarHBondContact O-N 3.25Å; V178-A181 PolarHBondContact O-N 2.86Å; V178-L182 HydrophobicContact CG1-CD1 3.65Å; V178-L182 HydrophobicContact CG1-CG 4.12Å; V178-L182 WeakPolarHBondContact O-CB 3.09Å; V178-L182 WeakPolarHBondContact O-CG 3.35Å; V178-L182 PolarHBondContact O-N 3.15Å
179	S	37.2	Very low	31	Very low	59 Å²	59	103.6 Å²	103.6	41%	0.413	58%	0.584	S	S	.	*	H	α-helix	trans	-63	-45.6	170.9	-179.9	0	0	0	0	110.2	K175 M176 L182 L183	K175-S179 WeakPolarHBondContact O-CA 2.99Å; K175-S179 WeakPolarHBondContact O-CB 3.36Å; K175-S179 PolarHBondContact O-N 3.36Å; M176-S179 PolarHBondContact O-N 2.82Å; S179-L182 PolarHBondContact O-N 3.2Å; S179-L183 WeakPolarHBondContact O-CB 3.48Å; S179-L183 WeakPolarHBondContact O-CD1 3.07Å; S179-L183 WeakPolarHBondContact O-CG 3.33Å; S179-L183 PolarHBondContact O-N 3.5Å
180	T	36.4	Very low	30.9	Very low	77 Å²	77	105.4 Å²	105.4	47%	0.472	58%	0.581	S	S	.	*	H	α-helix	trans	-66.2	-40.6	177.4	-53.3	0	0	0	0	110.7	M176 L183 T184	M176-T180 VanDerWaalsContact O-CB 3.22Å; M176-T180 WeakPolarHBondContact O-CB 3.47Å; M176-T180 PolarHBondContact O-N 2.68Å; M176-T180 PolarHBondContact O-OG1 3.36Å; T180-L183 PolarHBondContact O-N 3Å; T180-T184 WeakPolarHBondContact O-CB 3.22Å; T180-T184 WeakPolarHBondContact O-CG2 3.28Å; T180-T184 PolarHBondContact O-N 3.39Å; T180-T184 PolarHBondContact O-OG1 3.3Å
181	A	32.3	Very low	30.5	Very low	48 Å²	48	109.7 Å²	109.7	40%	0.397	59%	0.594	S	S	.	*	H	α-helix	trans	-68.4	-36.4	175.9	0	0	0	0	0	113.3	M177 V178 T184 C185	M177-A181 WeakPolarHBondContact O-CB 3.04Å; M177-A181 PolarHBondContact O-N 3.2Å; V178-A181 PolarHBondContact O-N 2.86Å; A181-T184 VanDerWaalsContact CA-OG1 3.3Å; A181-T184 WeakPolarHBondContact CA-OG1 3.36Å; A181-T184 PolarHBondContact O-OG1 2.88Å; A181-C185 WeakPolarHBondContact O-CB 3.16Å; A181-C185 PolarHBondContact O-N 3.43Å; A181-C185 PolarHBondContact O-SG 3.38Å; A181-C185 VanDerWaalsContact O-SG 3.37Å
182	L	30.3	Very low	29.9	Very low	109 Å²	109	110.3 Å²	110.3	57%	0.571	60%	0.603	S	S	*	*	H	α-helix	trans	-74.3	-37.5	175.1	-73.6	170.3	0	0	0	110.8	V178 S179 C185 S186	V178-L182 HydrophobicContact CG1-CD1 3.65Å; V178-L182 HydrophobicContact CG1-CG 4.12Å; V178-L182 WeakPolarHBondContact O-CB 3.09Å; V178-L182 WeakPolarHBondContact O-CG 3.35Å; V178-L182 PolarHBondContact O-N 3.15Å; S179-L182 PolarHBondContact O-N 3.2Å; L182-C185 PolarHBondContact O-N 2.88Å; L182-S186 VanDerWaalsContact O-CB 3.23Å; L182-S186 WeakPolarHBondContact O-CB 3.14Å; L182-S186 PolarHBondContact O-N 3.08Å; L182-S186 PolarHBondContact O-OG 3.42Å
183	L	30.2	Very low	29.5	Very low	107 Å²	107	109.5 Å²	109.5	56%	0.56	60%	0.603	S	S	*	*	H	α-helix	trans	-65.3	-41	172.5	-74.5	166.3	0	0	0	110.8	S179 T180 A187	S179-L183 WeakPolarHBondContact O-CB 3.48Å; S179-L183 WeakPolarHBondContact O-CD1 3.07Å; S179-L183 WeakPolarHBondContact O-CG 3.33Å; S179-L183 PolarHBondContact O-N 3.5Å; T180-L183 PolarHBondContact O-N 3Å; L183-A187 WeakPolarHBondContact O-CB 3.06Å; L183-A187 PolarHBondContact O-N 2.96Å
184	T	31.9	Very low	28.9	Very low	98 Å²	98	106.1 Å²	106.1	60%	0.601	60%	0.601	S	S	*	*	H	α-helix	trans	-72.5	-31.8	176.3	47.7	0	0	0	0	113.3	T180 A181	T180-T184 WeakPolarHBondContact O-CB 3.22Å; T180-T184 WeakPolarHBondContact O-CG2 3.28Å; T180-T184 PolarHBondContact O-N 3.39Å; T180-T184 PolarHBondContact O-OG1 3.3Å; A181-T184 VanDerWaalsContact CA-OG1 3.3Å; A181-T184 WeakPolarHBondContact CA-OG1 3.36Å; A181-T184 PolarHBondContact O-OG1 2.88Å
185	C	28	Very low	28.4	Very low	108 Å²	108	111.6 Å²	111.6	73%	0.73	62%	0.624	S	S	*	*	H	α-helix	trans	-83.8	-24.3	177	-74.8	0	0	0	0	114.1	A181 L182	A181-C185 WeakPolarHBondContact O-CB 3.16Å; A181-C185 PolarHBondContact O-N 3.43Å; A181-C185 PolarHBondContact O-SG 3.38Å; A181-C185 VanDerWaalsContact O-SG 3.37Å; L182-C185 PolarHBondContact O-N 2.88Å
186	S	28	Very low	27.8	Very low	81 Å²	81	111.6 Å²	111.6	57%	0.566	64%	0.635	S	S	*	*	H	α-helix	trans	-99.7	-14.9	179.4	64.2	0	0	0	0	114.5	L182 S188	L182-S186 VanDerWaalsContact O-CB 3.23Å; L182-S186 WeakPolarHBondContact O-CB 3.14Å; L182-S186 PolarHBondContact O-N 3.08Å; L182-S186 PolarHBondContact O-OG 3.42Å; S186-S188 PolarHBondContact O-N 3.27Å; S186-S188 VanDerWaalsContact O-N 3.15Å
187	A	26.1	Very low	27.2	Very low	88 Å²	88	112.5 Å²	112.5	73%	0.727	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	0.6	175	0	0	0	0	0	114.8	L183	L183-A187 WeakPolarHBondContact O-CB 3.06Å; L183-A187 PolarHBondContact O-N 2.96Å
188	S	27.9	Very low	26.6	Very low	104 Å²	104	109.5 Å²	109.5	73%	0.727	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-4.4	179.4	-153.3	0	0	0	0	114.9	S186	S186-S188 PolarHBondContact O-N 3.27Å; S186-S188 VanDerWaalsContact O-N 3.15Å
189	K	23.7	Very low	25.8	Very low	186 Å²	186	115.1 Å²	115.1	81%	0.809	66%	0.66	S	S	*	*	S	Bend	trans	-145.1	107.8	176	-72.4	-172.4	180	174.6	0	113.8
190	R	22.7	Very low	25.1	Very low	202 Å²	202	117.4 Å²	117.4	76%	0.762	68%	0.676	S	S	*	*			trans	96	128.9	172.9	-60.7	178.5	179	174.1	5.5	113.2
191	K	22.1	Very low	24.2	Very low	160 Å²	160	118.3 Å²	118.3	70%	0.696	69%	0.686	S	S	*	*			cis	-170.5	146.7	-1.2	-121.1	-176.4	179.5	-163.9	0	105.3	T193	K191-T193 PolarHBondContact O-N 3.28Å
192	A	20.9	Very low	23.7	Very low	90 Å²	90	123.4 Å²	123.4	74%	0.744	71%	0.706	S	S	*	*			trans	-52.1	123.6	149.4	0	0	0	0	0	109.3
193	T	21.5	Very low	23.1	Very low	117 Å²	117	122.5 Å²	122.5	72%	0.718	71%	0.709	S	S	*	*				171.3	141.6	129.9	39.3	0	0	0	0	109.6	K191	K191-T193 PolarHBondContact O-N 3.28Å
194	D	21.8	Very low	22.7	Very low	134 Å²	134	124.2 Å²	124.2	72%	0.717	72%	0.718	S	S	*	*			trans	91.8	88.1	165.4	-52.5	-19.2	0	0	0	116.2
195	I	21.1	Very low	22.1	Very low	146 Å²	146	126.4 Å²	126.4	75%	0.749	73%	0.726	S	S	*	*				96.5	109.8	80.7	-78.7	157.9	0	0	0	109.4
196	S	20.2	Very low	21.5	Very low	89 Å²	89	132.1 Å²	132.1	62%	0.622	73%	0.734	S	S	*	*				134.5	127.7	123.9	61.3	0	0	0	0	114.2
197	N	20.6	Very low	21.1	Very low	156 Å²	156	139.5 Å²	139.5	83%	0.834	75%	0.749	S	S	*	*			trans	74.3	138.2	151.7	-54.1	-17.9	0	0	0	117.3
198	A	19.6	Very low	20.7	Very low	69 Å²	69	144.2 Å²	144.2	57%	0.57	75%	0.753	S	S	*	*			cis	178.5	136.1	-12.4	0	0	0	0	0	104.1
199	H	20.2	Very low	20.4	Very low	190 Å²	190	147.5 Å²	147.5	88%	0.88	76%	0.762	S	S	*	*			trans	59.6	137	160.2	-53.4	-63.1	0	0	0	116.9
200	S	21.1	Very low	20.1	Very low	107 Å²	107	144.7 Å²	144.7	75%	0.748	76%	0.756	S	S	*	*			cis	-163.6	154.6	29.5	45.5	0	0	0	0	110
201	S	18.9	Very low	19.9	Very low	96 Å²	96	144.3 Å²	144.3	67%	0.671	76%	0.759	S	S	*	*			trans	-15.6	131.4	159.2	49.7	0	0	0	0	118.6
202	D	21.9	Very low	19.7	Very low	154 Å²	154	142.5 Å²	142.5	82%	0.824	77%	0.766	S	S	*	*				-171.9	136.4	102.7	-94.2	-22.9	0	0	0	113.6
203	S	17.9	Very low	19.5	Very low	91 Å²	91	143 Å²	143	64%	0.636	76%	0.764	S	S	*	*			trans	-75.7	167.3	171.9	47	0	0	0	0	113.2
204	L	20.1	Very low	19.4	Very low	142 Å²	142	144.1 Å²	144.1	74%	0.743	77%	0.77	S	S	*	*			trans	81.1	110.1	159.1	-72.3	137.2	0	0	0	117.9
205	N	19.4	Very low	19.2	Very low	144 Å²	144	143.1 Å²	143.1	77%	0.77	77%	0.773	S	S	*	*				175.3	125.8	91.7	-93.4	-44.5	0	0	0	113.4
206	Y	16.7	Very low	19.1	Very low	229 Å²	229	143.5 Å²	143.5	90%	0.898	78%	0.777	S	S	*	*			trans	-82.4	131.6	154.2	-105.8	-95	0	0	0	109.1
207	R	19	Very low	19.1	Very low	235 Å²	235	145.1 Å²	145.1	89%	0.887	79%	0.786	S	S	*	*			trans	-172.2	109.7	153.6	-104.5	171.2	-173.7	-168.5	2.2	107.6
208	K	17.2	Very low	19	Very low	187 Å²	187	145.8 Å²	145.8	81%	0.813	78%	0.784	S	S	*	*				50.9	114.2	84	-88.4	-170	179.4	178.8	0	116.1
209	L	21	Very low	19	Very low	173 Å²	173	148.7 Å²	148.7	91%	0.906	79%	0.79	S	S	*	*			trans	-150.1	106.5	148.3	-97.2	123.5	0	0	0	105.2
210	N	18.9	Very low	19.1	Very low	127 Å²	127	147.1 Å²	147.1	68%	0.679	79%	0.793	S	S	*	*				47.5	108	72.1	-83.5	-2.8	0	0	0	112.9
211	K	17.6	Very low	19	Very low	194 Å²	194	148.6 Å²	148.6	84%	0.843	79%	0.793	S	S	*	*				98.8	121.2	72.6	-98.5	-167.9	179.5	-175	0	111.2
212	C	17.9	Very low	19.1	Very low	123 Å²	123	150 Å²	150	83%	0.831	80%	0.797	S	S	*	*			trans	170.5	114.9	144.7	-100.2	0	0	0	0	107.3
213	S	17.7	Very low	19.3	Very low	100 Å²	100	148.1 Å²	148.1	70%	0.699	79%	0.793	S	S	*	*				90.6	99.9	53.7	68.9	0	0	0	0	114.5
214	V	17.9	Very low	19.3	Very low	141 Å²	141	152.8 Å²	152.8	86%	0.855	80%	0.802	S	S	*	*			trans	37.3	125.7	130.8	-174.2	0	0	0	0	120.2
215	S	19.1	Very low	19.3	Very low	112 Å²	112	158 Å²	158	78%	0.783	81%	0.812	S	S	*	*				-179.6	139.5	123.7	51.9	0	0	0	0	114
216	N	18.3	Very low	19.3	Very low	155 Å²	155	158.1 Å²	158.1	83%	0.829	81%	0.812	S	S	*	*			trans	-72.4	162.7	176.1	-69.7	-27.9	0	0	0	114.2
217	P	20.7	Very low	19.6	Very low	123 Å²	123	154 Å²	154	80%	0.799	81%	0.812	S	S	*	*				-132.7	122	123.4	33.4	-20.1	0	0	0	110.3
218	E	17.8	Very low	19.6	Very low	170 Å²	170	150.6 Å²	150.6	79%	0.794	81%	0.811	S	S	*	*				60.9	116.4	82.6	-78.1	-172.1	-179.4	0	0	116.6
219	D	19.7	Very low	19.8	Very low	130 Å²	130	147 Å²	147	70%	0.695	81%	0.81	S	S	*	*			trans	65.2	115.8	144.2	-63.1	-18.9	0	0	0	122.3
220	T	22.3	Very low	19.8	Very low	156 Å²	156	147.9 Å²	147.9	96%	0.957	81%	0.806	S	S	*	*				-163.4	143	114.6	16.7	0	0	0	0	111.8
221	N	18.5	Very low	20	Very low	139 Å²	139	150.5 Å²	150.5	74%	0.743	81%	0.814	S	S	*	*			trans	-106.7	152.7	-157.6	-111.6	-37	0	0	0	111.4
222	V	20.9	Very low	20.2	Very low	125 Å²	125	146.9 Å²	146.9	76%	0.758	81%	0.813	S	S	*	*			trans	81.1	148.5	138.2	170.2	0	0	0	0	119
223	P	26.7	Very low	20.5	Very low	114 Å²	114	147 Å²	147	74%	0.74	81%	0.81	S	S	*	*			cis	-129.6	167.1	-17.9	26.5	-5.7	0	0	0	116.5
224	K	17.5	Very low	20.7	Very low	190 Å²	190	148.6 Å²	148.6	83%	0.826	82%	0.815	S	S	*	*			trans	-50.4	144	159.1	-62.7	169	174.3	178.3	0	114.1
225	R	19.9	Very low	20.9	Very low	252 Å²	252	152.7 Å²	152.7	95%	0.951	82%	0.815	S	S	*	*			trans	-130	113.3	150.7	-97.3	-176.3	174.3	174.9	-1.2	108.8
226	D	18.9	Very low	21.1	Very low	145 Å²	145	155.1 Å²	155.1	78%	0.775	81%	0.814	S	S	*	*			trans	-70.1	139	161	-69.1	-51.8	0	0	0	109.6
227	T	23.1	Very low	21.4	Very low	144 Å²	144	153.2 Å²	153.2	88%	0.883	81%	0.808	S	S	*	*			trans	-160.3	118.4	136.5	32	0	0	0	0	111
228	N	19.1	Very low	21.7	Very low	163 Å²	163	154.3 Å²	154.3	87%	0.872	80%	0.802	S	S	*	*			trans	-52.5	137.7	156.4	-71.5	-45.2	0	0	0	111.6
229	S	22.4	Very low	22.3	Very low	112 Å²	112	152 Å²	152	78%	0.783	80%	0.795	S	S	*	*				169.9	119.3	125.1	58.5	0	0	0	0	112.7
230	K	21.1	Very low	22.9	Very low	191 Å²	191	150.2 Å²	150.2	83%	0.83	79%	0.785	S	S	*	*			trans	30.9	137.6	132.9	-63.7	-179.5	176.8	179.2	0	120.7
231	H	22.5	Very low	23.6	Very low	182 Å²	182	147.2 Å²	147.2	84%	0.843	76%	0.763	S	S	*	*			trans	80.2	87.1	163.5	-63.9	-52.5	0	0	0	117.7
232	S	22.4	Very low	24.5	Very low	118 Å²	118	148.2 Å²	148.2	83%	0.825	76%	0.763	S	S	*	*			trans	-105.6	103.7	149.5	51.9	0	0	0	0	109.1	T234	S232-T234 PolarHBondContact O-N 3.28Å
233	V	23.4	Very low	25.3	Very low	126 Å²	126	145.8 Å²	145.8	76%	0.764	74%	0.744	S	S	*	*			trans	-52.6	127.4	155.4	172.1	0	0	0	0	106.7	R235	V233-R235 VanDerWaalsContact C-N 3.3Å; V233-R235 PolarHBondContact O-N 3.33Å
234	T	22.9	Very low	25.9	Very low	132 Å²	132	143.8 Å²	143.8	81%	0.81	73%	0.726	S	S	*	*			trans	-56.1	91.1	173.9	41.3	0	0	0	0	109.4	S232 E236	S232-T234 PolarHBondContact O-N 3.28Å; T234-E236 PolarHBondContact O-N 3.37Å
235	R	21.9	Very low	27.1	Very low	227 Å²	227	137.6 Å²	137.6	86%	0.857	71%	0.707	S	S	*	*			trans	-72.4	107.3	161.3	-79.3	-175.7	174.1	169.9	-1.4	106.4	V233 V237	V233-R235 VanDerWaalsContact C-N 3.3Å; V233-R235 PolarHBondContact O-N 3.33Å; R235-V237 PolarHBondContact O-N 3.1Å; R235-V237 VanDerWaalsContact O-N 3.14Å
236	E	23.6	Very low	28	Very low	164 Å²	164	127.2 Å²	127.2	77%	0.766	68%	0.675	S	S	*	*			trans	-51.4	115.2	161.1	-68.5	177.4	157.2	0	0	107.7	T234 H238	T234-E236 PolarHBondContact O-N 3.37Å; E236-H238 PolarHBondContact O-N 3.45Å
237	V	24.8	Very low	29.1	Very low	115 Å²	115	124.2 Å²	124.2	70%	0.697	66%	0.659	S	S	*	*			trans	-84.7	98.8	177.1	179.3	0	0	0	0	106.6	R235	R235-V237 PolarHBondContact O-N 3.1Å; R235-V237 VanDerWaalsContact O-N 3.14Å
238	H	26.1	Very low	30	Very low	145 Å²	145	122.3 Å²	122.3	67%	0.671	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-71.7	126.3	166.3	-79.4	-67	0	0	0	108.8	E236 N240	E236-H238 PolarHBondContact O-N 3.45Å; H238-N240 PolarHBondContact O-OD1 3.24Å; H238-N240 VanDerWaalsContact O-OD1 3.07Å
239	L	30.4	Very low	31.3	Very low	122 Å²	122	118.4 Å²	118.4	64%	0.639	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-78.7	119.3	177.1	-71.1	163.5	0	0	0	110.5	E243	L239-E243 WeakPolarHBondContact CA-OE2 3.17Å; L239-E243 HydrophobicContact CB-CB 4.32Å; L239-E243 HydrophobicContact CD2-CB 3.75Å; L239-E243 HydrophobicContact CD2-CG 4.29Å
240	N	32.4	Very low	32.2	Very low	93 Å²	93	117 Å²	117	50%	0.497	61%	0.605	S	S	.	*	P	Polyproline II helix	trans	-79.8	168.5	-177.7	-49.1	-6.2	0	0	0	111.3	H238 E242 E243 L244	H238-N240 PolarHBondContact O-OD1 3.24Å; H238-N240 VanDerWaalsContact O-OD1 3.07Å; N240-E242 PolarHBondContact O-N 3.29Å; N240-E243 PolarHBondContact N-OE2 2.88Å; N240-E243 CarbonylContact O-C 3.59Å; N240-E243 WeakPolarHBondContact O-CA 3.23Å; N240-E243 PolarHBondContact O-N 3.23Å; N240-L244 PolarHBondContact O-N 3.5Å
241	N	36.8	Very low	33.2	Very low	92 Å²	92	110.1 Å²	110.1	49%	0.492	58%	0.577	S	S	.	*	H	α-helix	trans	-56.2	-33.2	171.4	-79.1	-13.8	0	0	0	113.1	E243 S245 M1226	N241-E243 VanDerWaalsContact C-N 3.27Å; N241-E243 PolarHBondContact O-N 3.32Å; N241-S245 WeakPolarHBondContact O-CB 3.21Å; N241-S245 PolarHBondContact O-N 2.9Å; N241-M1226 HydrophobicContact CB-CE 4.38Å; N241-M1226 WeakPolarHBondContact ND2-CE 3.36Å; N241-M1226 PolarHBondContact ND2-SD 2.8Å; N241-M1226 VanDerWaalsContact ND2-SD 3.42Å; N241-M1226 WeakPolarHBondContact OD1-CE 3.38Å
242	E	38.5	Very low	34.2	Very low	161 Å²	161	104.3 Å²	104.3	75%	0.752	55%	0.552	S	S	*	*	H	α-helix	trans	-66	-29.2	172.9	-69.1	-179.2	169	0	0	112.1	N240 A246	N240-E242 PolarHBondContact O-N 3.29Å; E242-A246 WeakPolarHBondContact O-CA 3.39Å; E242-A246 WeakPolarHBondContact O-CB 3.24Å; E242-A246 PolarHBondContact O-N 2.9Å
243	E	37.3	Very low	35	Very low	73 Å²	73	104.9 Å²	104.9	34%	0.341	54%	0.542	S	S	.	.	H	α-helix	trans	-87.7	-25.6	178.7	-67.6	172.4	130.9	0	0	113	L239 N240 N241 A246 L247	L239-E243 WeakPolarHBondContact CA-OE2 3.17Å; L239-E243 HydrophobicContact CB-CB 4.32Å; L239-E243 HydrophobicContact CD2-CB 3.75Å; L239-E243 HydrophobicContact CD2-CG 4.29Å; N240-E243 PolarHBondContact N-OE2 2.88Å; N240-E243 CarbonylContact O-C 3.59Å; N240-E243 WeakPolarHBondContact O-CA 3.23Å; N240-E243 PolarHBondContact O-N 3.23Å; N241-E243 VanDerWaalsContact C-N 3.27Å; N241-E243 PolarHBondContact O-N 3.32Å; E243-A246 CarbonylContact O-C 3.45Å; E243-A246 PolarHBondContact O-N 3.3Å; E243-L247 WeakPolarHBondContact O-CB 3.45Å; E243-L247 PolarHBondContact O-N 2.88Å
244	L	38.7	Very low	35.7	Very low	72 Å²	72	102.5 Å²	102.5	38%	0.377	52%	0.524	S	S	.	.	H	α-helix	trans	-73	-41	166	-92	159	0	0	0	111.6	N240 A246 L247 D248	N240-L244 PolarHBondContact O-N 3.5Å; L244-A246 VanDerWaalsContact C-N 3.28Å; L244-L247 WeakPolarHBondContact O-CA 3.49Å; L244-L247 WeakPolarHBondContact O-CB 3.3Å; L244-L247 PolarHBondContact O-N 2.79Å; L244-L247 VanDerWaalsContact O-N 3.08Å; L244-D248 PolarHBondContact O-N 2.78Å
245	S	43	Very low	36.6	Very low	61 Å²	61	99 Å²	99	43%	0.427	50%	0.503	S	S	.	.	H	α-helix	trans	-62.3	-39.5	166	-170.8	0	0	0	0	110	N241 L247 D248 D249	N241-S245 WeakPolarHBondContact O-CB 3.21Å; N241-S245 PolarHBondContact O-N 2.9Å; S245-L247 VanDerWaalsContact C-N 3.25Å; S245-L247 PolarHBondContact O-N 3.37Å; S245-D248 CarbonylContact O-C 3.6Å; S245-D248 PolarHBondContact O-N 2.85Å; S245-D249 WeakPolarHBondContact O-CA 3.05Å; S245-D249 WeakPolarHBondContact O-CB 3.4Å; S245-D249 VanDerWaalsContact O-CG 3.25Å; S245-D249 PolarHBondContact O-N 2.75Å
246	A	39.8	Very low	37.6	Very low	33 Å²	33	95.6 Å²	95.6	27%	0.273	49%	0.494	S	S	.	.	H	α-helix	trans	-65.8	-28.8	172.1	0	0	0	0	0	111.3	E242 E243 L244 I250	E242-A246 WeakPolarHBondContact O-CA 3.39Å; E242-A246 WeakPolarHBondContact O-CB 3.24Å; E242-A246 PolarHBondContact O-N 2.9Å; E243-A246 CarbonylContact O-C 3.45Å; E243-A246 PolarHBondContact O-N 3.3Å; L244-A246 VanDerWaalsContact C-N 3.28Å; A246-I250 HydrophobicContact CB-CD1 4.43Å; A246-I250 WeakPolarHBondContact O-CA 3.42Å; A246-I250 WeakPolarHBondContact O-CB 3.26Å; A246-I250 WeakPolarHBondContact O-CD1 3.41Å; A246-I250 WeakPolarHBondContact O-CG1 3.21Å; A246-I250 PolarHBondContact O-N 2.74Å
247	L	40.6	Very low	38	Very low	83 Å²	83	89.9 Å²	89.9	44%	0.435	48%	0.48	S	S	.	.	H	α-helix	trans	-72.8	-42.7	173.9	-158.5	99.5	0	0	0	110.7	E243 L244 S245 I250 L251	E243-L247 WeakPolarHBondContact O-CB 3.45Å; E243-L247 PolarHBondContact O-N 2.88Å; L244-L247 WeakPolarHBondContact O-CA 3.49Å; L244-L247 WeakPolarHBondContact O-CB 3.3Å; L244-L247 PolarHBondContact O-N 2.79Å; L244-L247 VanDerWaalsContact O-N 3.08Å; S245-L247 VanDerWaalsContact C-N 3.25Å; S245-L247 PolarHBondContact O-N 3.37Å; L247-I250 CarbonylContact O-C 3.58Å; L247-I250 PolarHBondContact O-N 3.08Å; L247-L251 HydrophobicContact CD2-CD1 4.08Å; L247-L251 HydrophobicContact CG-CD1 4.36Å; L247-L251 WeakPolarHBondContact O-CB 3.2Å; L247-L251 WeakPolarHBondContact O-CD1 3.31Å; L247-L251 WeakPolarHBondContact O-CG 3.06Å; L247-L251 PolarHBondContact O-N 2.99Å
248	D	43.4	Very low	38.4	Very low	104 Å²	104	91.3 Å²	91.3	56%	0.556	48%	0.483	S	S	*	.	H	α-helix	trans	-64.9	-40.5	172.9	-90.6	-18.9	0	0	0	111.1	L244 S245 L251 D252	L244-D248 PolarHBondContact O-N 2.78Å; S245-D248 CarbonylContact O-C 3.6Å; S245-D248 PolarHBondContact O-N 2.85Å; D248-L251 CarbonylContact O-C 3.57Å; D248-L251 PolarHBondContact O-N 2.94Å; D248-D252 VanDerWaalsContact O-CB 3.28Å; D248-D252 WeakPolarHBondContact O-CB 3.44Å; D248-D252 PolarHBondContact O-N 3.3Å
249	D	45.4	Very low	38.5	Very low	80 Å²	80	92.1 Å²	92.1	43%	0.428	49%	0.492	S	S	.	.	H	α-helix	trans	-70.4	-36.8	173.6	-75.6	-35.3	0	0	0	111.3	S245 L251 D252 Q253	S245-D249 WeakPolarHBondContact O-CA 3.05Å; S245-D249 WeakPolarHBondContact O-CB 3.4Å; S245-D249 VanDerWaalsContact O-CG 3.25Å; S245-D249 PolarHBondContact O-N 2.75Å; D249-L251 VanDerWaalsContact C-N 3.33Å; D249-D252 CarbonylContact O-C 3.59Å; D249-D252 PolarHBondContact O-N 2.98Å; D249-Q253 WeakPolarHBondContact O-CA 3.38Å; D249-Q253 WeakPolarHBondContact O-CB 3.46Å; D249-Q253 WeakPolarHBondContact O-CG 3.48Å; D249-Q253 PolarHBondContact O-N 3.49Å
250	I	42.2	Very low	38.4	Very low	83 Å²	83	92.2 Å²	92.2	43%	0.426	49%	0.493	S	S	.	.	H	α-helix	trans	-67.9	-37.9	172.3	-77.4	161.2	0	0	0	108.4	A246 L247 L254	A246-I250 HydrophobicContact CB-CD1 4.43Å; A246-I250 WeakPolarHBondContact O-CA 3.42Å; A246-I250 WeakPolarHBondContact O-CB 3.26Å; A246-I250 WeakPolarHBondContact O-CD1 3.41Å; A246-I250 WeakPolarHBondContact O-CG1 3.21Å; A246-I250 PolarHBondContact O-N 2.74Å; L247-I250 CarbonylContact O-C 3.58Å; L247-I250 PolarHBondContact O-N 3.08Å; I250-L254 HydrophobicContact CG2-CD1 3.47Å; I250-L254 VanDerWaalsContact CG2-CD1 3.47Å; I250-L254 HydrophobicContact CG2-CG 3.96Å; I250-L254 WeakPolarHBondContact O-CA 3.48Å; I250-L254 WeakPolarHBondContact O-CB 3.34Å; I250-L254 WeakPolarHBondContact O-CD1 3.34Å; I250-L254 WeakPolarHBondContact O-CG 3.15Å; I250-L254 PolarHBondContact O-N 3.4Å
251	L	40.5	Very low	38.1	Very low	47 Å²	47	93 Å²	93	25%	0.246	50%	0.504	C	S	.	.	H	α-helix	trans	-69.6	-40.8	175.5	-74.6	168.3	0	0	0	110.6	L247 D248 D249 V255 L1005	L247-L251 HydrophobicContact CD2-CD1 4.08Å; L247-L251 HydrophobicContact CG-CD1 4.36Å; L247-L251 WeakPolarHBondContact O-CB 3.2Å; L247-L251 WeakPolarHBondContact O-CD1 3.31Å; L247-L251 WeakPolarHBondContact O-CG 3.06Å; L247-L251 PolarHBondContact O-N 2.99Å; D248-L251 CarbonylContact O-C 3.57Å; D248-L251 PolarHBondContact O-N 2.94Å; D249-L251 VanDerWaalsContact C-N 3.33Å; L251-V255 WeakPolarHBondContact O-CB 3.09Å; L251-V255 WeakPolarHBondContact O-CG2 3.25Å; L251-V255 PolarHBondContact O-N 3.04Å; L251-L1005 HydrophobicContact CD1-CD1 3.98Å; L251-L1005 HydrophobicContact CD2-CD1 3.53Å; L251-L1005 HydrophobicContact CG-CD1 4.41Å
252	D	45.3	Very low	37.5	Very low	60 Å²	60	94.5 Å²	94.5	32%	0.321	52%	0.521	S	S	.	.	H	α-helix	trans	-70.1	-38.2	175.1	-110.8	27.3	0	0	0	111.7	D248 D249 V255 K256	D248-D252 VanDerWaalsContact O-CB 3.28Å; D248-D252 WeakPolarHBondContact O-CB 3.44Å; D248-D252 PolarHBondContact O-N 3.3Å; D249-D252 CarbonylContact O-C 3.59Å; D249-D252 PolarHBondContact O-N 2.98Å; D252-V255 CarbonylContact O-C 3.37Å; D252-V255 PolarHBondContact O-N 3.48Å; D252-K256 WeakPolarHBondContact O-CB 3.46Å; D252-K256 WeakPolarHBondContact O-CD 3.4Å; D252-K256 WeakPolarHBondContact O-CG 3.45Å; D252-K256 PolarHBondContact O-N 2.94Å; D252-K256 IonicContact OD2-NZ 2.63Å; D252-K256 PolarHBondContact OD2-NZ 3Å
253	Q	39	Very low	36.9	Very low	130 Å²	130	95.3 Å²	95.3	61%	0.607	52%	0.524	S	S	*	.	H	α-helix	trans	-73.2	-36.7	175	-74.2	175.2	19.9	0	0	111.2	D249 V255 K256 G257	D249-Q253 WeakPolarHBondContact O-CA 3.38Å; D249-Q253 WeakPolarHBondContact O-CB 3.46Å; D249-Q253 WeakPolarHBondContact O-CG 3.48Å; D249-Q253 PolarHBondContact O-N 3.49Å; Q253-V255 PolarHBondContact O-N 3.44Å; Q253-K256 CarbonylContact O-C 3.57Å; Q253-K256 PolarHBondContact O-N 2.75Å; Q253-K256 VanDerWaalsContact O-N 3.14Å; Q253-G257 WeakPolarHBondContact O-CA 3.42Å; Q253-G257 PolarHBondContact O-N 2.94Å
254	L	36.8	Very low	36.3	Very low	75 Å²	75	101.1 Å²	101.1	39%	0.393	55%	0.549	S	S	.	.	H	α-helix	trans	-69.4	-23.8	170	-74.5	168.9	0	0	0	111.1	I250 R990	I250-L254 HydrophobicContact CG2-CD1 3.47Å; I250-L254 VanDerWaalsContact CG2-CD1 3.47Å; I250-L254 HydrophobicContact CG2-CG 3.96Å; I250-L254 WeakPolarHBondContact O-CA 3.48Å; I250-L254 WeakPolarHBondContact O-CB 3.34Å; I250-L254 WeakPolarHBondContact O-CD1 3.34Å; I250-L254 WeakPolarHBondContact O-CG 3.15Å; I250-L254 PolarHBondContact O-N 3.4Å; L254-R990 VanDerWaalsContact O-CZ 3.25Å; L254-R990 PolarHBondContact O-NH1 3.45Å
255	V	41.6	Very low	35.5	Very low	60 Å²	60	105.7 Å²	105.7	36%	0.364	57%	0.568	S	S	.	*	H	α-helix	trans	-87.2	-11.2	171.5	171.3	0	0	0	0	112.5	L251 D252 Q253 R990	L251-V255 WeakPolarHBondContact O-CB 3.09Å; L251-V255 WeakPolarHBondContact O-CG2 3.25Å; L251-V255 PolarHBondContact O-N 3.04Å; D252-V255 CarbonylContact O-C 3.37Å; D252-V255 PolarHBondContact O-N 3.48Å; Q253-V255 PolarHBondContact O-N 3.44Å; V255-R990 VanDerWaalsContact O-CZ 3.27Å; V255-R990 PolarHBondContact O-NH2 2.94Å
256	K	43.2	Very low	34.6	Very low	154 Å²	154	111.2 Å²	111.2	67%	0.67	59%	0.59	S	S	*	*	H	α-helix	trans	-118.8	-19.7	-178.3	-72.1	168.3	-177.7	158.7	0	115.2	D252 Q253	D252-K256 WeakPolarHBondContact O-CB 3.46Å; D252-K256 WeakPolarHBondContact O-CD 3.4Å; D252-K256 WeakPolarHBondContact O-CG 3.45Å; D252-K256 PolarHBondContact O-N 2.94Å; D252-K256 IonicContact OD2-NZ 2.63Å; D252-K256 PolarHBondContact OD2-NZ 3Å; Q253-K256 CarbonylContact O-C 3.57Å; Q253-K256 PolarHBondContact O-N 2.75Å; Q253-K256 VanDerWaalsContact O-N 3.14Å
257	G	32.2	Very low	33.7	Very low	45 Å²	45	116 Å²	116	46%	0.464	61%	0.607	S	S	.	*			trans	-106.8	119.9	-168.1	0	0	0	0	0	115.2	Q253	Q253-G257 WeakPolarHBondContact O-CA 3.42Å; Q253-G257 PolarHBondContact O-N 2.94Å
258	D	33.3	Very low	32.8	Very low	144 Å²	144	120.3 Å²	120.3	77%	0.77	62%	0.623	S	S	*	*			trans	-96.9	88.8	163.4	-75.2	-35.6	0	0	0	108.4
259	N	28	Very low	31.7	Very low	162 Å²	162	124.6 Å²	124.6	87%	0.866	64%	0.639	S	S	*	*			trans	-168.3	110.9	160.6	-90.1	-31	0	0	0	109.9
260	L	29.1	Very low	30.5	Very low	125 Å²	125	125.7 Å²	125.7	65%	0.654	66%	0.659	S	S	*	*			trans	-124.6	125.3	-176.1	-131.6	94	0	0	0	110.5	K983	L260-K983 HydrophobicContact CD1-CD 4.36Å; L260-K983 HydrophobicContact CD2-CD 4Å; L260-K983 HydrophobicContact CG-CD 4.47Å
261	P	24.8	Very low	29.5	Very low	110 Å²	110	127.9 Å²	127.9	71%	0.714	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-84.1	149	172	-4.2	21.4	0	0	0	112.9
262	S	25.7	Very low	28.5	Very low	123 Å²	123	132 Å²	132	86%	0.86	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-76.1	143	-171.7	51	0	0	0	0	115.4
263	H	25.5	Very low	27.4	Very low	177 Å²	177	137.1 Å²	137.1	82%	0.819	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-70	143.7	176.1	-82.5	-95.1	0	0	0	114
264	K	23.5	Very low	26.5	Very low	196 Å²	196	138.2 Å²	138.2	85%	0.852	74%	0.74	S	S	*	*			trans	-125.7	135.2	155	-87.1	-173.9	175.4	-179.7	0	110.6
265	H	22.9	Very low	25.7	Very low	167 Å²	167	140.1 Å²	140.1	77%	0.773	76%	0.757	S	S	*	*			trans	-8.8	144.3	165.7	-64	-83.1	0	0	0	120.6
266	I	24.2	Very low	24.8	Very low	177 Å²	177	143.2 Å²	143.2	91%	0.908	78%	0.778	S	S	*	*				-152.1	140.4	122	-89.3	143.3	0	0	0	109
267	E	20.9	Very low	23.6	Very low	135 Å²	135	144.3 Å²	144.3	63%	0.631	79%	0.786	S	S	*	*			trans	-91.4	158.8	-172	-72.1	-177.1	107.9	0	0	114.2
268	K	20.6	Very low	23	Very low	173 Å²	173	149.9 Å²	149.9	75%	0.752	80%	0.803	S	S	*	*			trans	39.7	129.7	136.9	-63.1	168.9	-176.9	149.5	0	120.1
269	E	21.3	Very low	22.3	Very low	194 Å²	194	152.3 Å²	152.3	91%	0.907	80%	0.803	S	S	*	*				-167	134.9	106.4	-103.4	172.9	-170.9	0	0	110.7
270	A	20	Very low	21.9	Very low	102 Å²	102	149.7 Å²	149.7	84%	0.843	80%	0.796	S	S	*	*			trans	-114.3	127.5	179.6	0	0	0	0	0	108.6
271	V	21.2	Very low	21.4	Very low	129 Å²	129	151.7 Å²	151.7	78%	0.782	80%	0.801	S	S	*	*			trans	-110.9	117.5	176.7	177.1	0	0	0	0	109.4
272	T	19.6	Very low	21.1	Very low	134 Å²	134	153.7 Å²	153.7	82%	0.822	81%	0.805	S	S	*	*			trans	-75.5	130.3	171	37.1	0	0	0	0	111.5
273	L	21	Very low	20.9	Very low	168 Å²	168	156.9 Å²	156.9	88%	0.88	81%	0.806	S	S	*	*			trans	-123.5	121.1	166.4	-83.8	160.4	0	0	0	109.5
274	N	20.6	Very low	20.6	Very low	153 Å²	153	154.6 Å²	154.6	82%	0.818	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-76.2	154.4	178.7	-78.9	-35.1	0	0	0	112.2
275	P	21.5	Very low	20.4	Very low	114 Å²	114	152 Å²	152	74%	0.74	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-84	145.8	-170.4	2.2	16.5	0	0	0	112.9
276	P	20.8	Very low	20.4	Very low	126 Å²	126	150.7 Å²	150.7	82%	0.818	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-82.3	135.6	176.8	4.6	12.7	0	0	0	111.9
277	Q	20	Very low	20.1	Very low	176 Å²	176	151.7 Å²	151.7	82%	0.822	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-71.6	135.9	172.6	-72.4	176.2	-25.4	0	0	111.5
278	I	19.2	Very low	20.2	Very low	162 Å²	162	150.6 Å²	150.6	83%	0.831	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-77.6	134.8	174.7	-65.9	164.5	0	0	0	109
279	Y	18.2	Very low	20.2	Very low	196 Å²	196	147.6 Å²	147.6	77%	0.769	81%	0.808	S	S	*	*			trans	-135.9	147.3	167.6	-100.5	-81.7	0	0	0	110.3
280	C	18.7	Very low	20.3	Very low	106 Å²	106	144.4 Å²	144.4	72%	0.716	80%	0.801	S	S	*	*			trans	80.2	140.8	162.9	-53.3	0	0	0	0	116.9
281	H	19.4	Very low	20.5	Very low	167 Å²	167	147.4 Å²	147.4	77%	0.773	80%	0.798	S	S	*	*			cis	-161.4	134.2	-24.5	-124.9	-72.3	0	0	0	103.1
282	I	18.6	Very low	20.7	Very low	153 Å²	153	149.1 Å²	149.1	79%	0.785	80%	0.803	S	S	*	*			trans	-85.9	117.5	177	-65.3	166.2	0	0	0	106.4
283	E	20.5	Very low	20.9	Very low	190 Å²	190	150.7 Å²	150.7	89%	0.888	80%	0.8	S	S	*	*			trans	-109.2	117	165.3	-81.1	-171.2	166.5	0	0	109.6
284	D	19.1	Very low	21.1	Very low	129 Å²	129	149.2 Å²	149.2	69%	0.69	80%	0.799	S	S	*	*			trans	-71.1	150.9	172.7	-81.4	-44.5	0	0	0	112.3
285	N	20.2	Very low	21.6	Very low	141 Å²	141	150.4 Å²	150.4	75%	0.754	80%	0.797	S	S	*	*			trans	54.9	116.4	145.1	-68	-33.5	0	0	0	119.2
286	T	22.4	Very low	21.8	Very low	140 Å²	140	153.8 Å²	153.8	86%	0.859	80%	0.803	S	S	*	*				-149.3	128.2	120.6	39.3	0	0	0	0	111
287	Q	19.4	Very low	22	Very low	198 Å²	198	156.3 Å²	156.3	93%	0.925	81%	0.808	S	S	*	*			trans	-69.7	123	166.2	-67.2	170.1	-20	0	0	108.8
288	S	21.9	Very low	22.3	Very low	112 Å²	112	155 Å²	155	78%	0.783	81%	0.806	S	S	*	*			trans	-128.6	103.4	162.1	59	0	0	0	0	109.9
289	S	20.4	Very low	22.6	Very low	109 Å²	109	153 Å²	153	76%	0.762	80%	0.797	S	S	*	*			trans	-58.6	135.1	153.2	51.2	0	0	0	0	109.1
290	V	23.7	Very low	23	Very low	127 Å²	127	150 Å²	150	77%	0.77	79%	0.794	S	S	*	*			trans	-178.8	120.6	144.8	143.6	0	0	0	0	111.2
291	H	24.3	Very low	23.3	Very low	165 Å²	165	148.8 Å²	148.8	76%	0.764	79%	0.787	S	S	*	*			trans	54	105.7	152.5	-64.5	-67.3	0	0	0	123.2	E293	H291-E293 PolarHBondContact O-N 2.79Å
292	N	24.7	Very low	23.6	Very low	166 Å²	166	148.3 Å²	148.3	89%	0.888	79%	0.79	S	S	*	*			trans	-61.7	108.2	149.8	-76.8	-34.1	0	0	0	111.2
293	E	24.8	Very low	24.1	Very low	166 Å²	166	150.1 Å²	150.1	78%	0.776	79%	0.787	S	S	*	*			trans	-143.3	142.8	155.8	-71	-167.5	167.3	0	0	109.9	H291	H291-E293 PolarHBondContact O-N 2.79Å
294	T	25.7	Very low	24.2	Very low	137 Å²	137	145.6 Å²	145.6	84%	0.84	78%	0.777	S	S	*	*			trans	92.3	42.7	179.2	63.3	0	0	0	0	120.1
295	F	29.4	Very low	24.4	Very low	179 Å²	179	145.6 Å²	145.6	79%	0.785	78%	0.783	S	S	*	*			trans	-105.8	13.4	155	-105.4	-82.1	0	0	0	114.6
296	Q	25.9	Very low	24.6	Very low	185 Å²	185	144.6 Å²	144.6	86%	0.864	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	3	-173.7	-79	-172.9	-12.8	0	0	116.6
297	L	26.5	Very low	24.5	Very low	178 Å²	178	147.7 Å²	147.7	93%	0.932	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	1.6	180	-85	157.4	0	0	0	115
298	L	24.7	Very low	24.9	Very low	149 Å²	149	145.2 Å²	145.2	78%	0.78	77%	0.772	S	S	*	*	S	Bend	trans	-127.1	80.7	166.7	-78.1	160.9	0	0	0	108.2	L300	L298-L300 PolarHBondContact O-N 2.77Å
299	N	25.7	Very low	24.9	Very low	119 Å²	119	149 Å²	149	64%	0.636	78%	0.777	S	S	*	*			trans	-69.3	95.5	176.7	-168.9	4.5	0	0	0	109.9	S301	N299-S301 PolarHBondContact OD1-N 2.82Å; N299-S301 PolarHBondContact OD1-OG 3.17Å
300	L	27.9	Very low	25	Very low	133 Å²	133	152.8 Å²	152.8	70%	0.696	78%	0.78	S	S	*	*			trans	-114.9	20	166.2	-67.5	173	0	0	0	110.8	L298 W303	L298-L300 PolarHBondContact O-N 2.77Å; L300-W303 PolarHBondContact O-NE1 2.61Å
301	S	24	Very low	25	Very low	82 Å²	82	153.4 Å²	153.4	57%	0.573	79%	0.785	S	S	*	*			trans	-111.1	73.3	-169.1	47.3	0	0	0	0	111.3	N299	N299-S301 PolarHBondContact OD1-N 2.82Å; N299-S301 PolarHBondContact OD1-OG 3.17Å
302	D	26.6	Very low	24.8	Very low	156 Å²	156	152.9 Å²	152.9	83%	0.834	79%	0.785	S	S	*	*			trans	-138.5	91.6	153.1	-94.8	-28.7	0	0	0	108.2
303	W	27.5	Very low	24.7	Very low	191 Å²	191	153.3 Å²	153.3	72%	0.723	79%	0.786	S	S	*	*			trans	-109.7	79.7	-177.9	-68.5	66.3	0	0	0	108.9	L300	L300-W303 PolarHBondContact O-NE1 2.61Å
304	S	23.4	Very low	24.5	Very low	96 Å²	96	154.5 Å²	154.5	67%	0.671	79%	0.788	S	S	*	*			trans	-133.7	131.1	158	61.1	0	0	0	0	109.8	V306	S304-V306 PolarHBondContact O-N 3.07Å
305	P	24	Very low	24.4	Very low	128 Å²	128	157.4 Å²	157.4	83%	0.831	79%	0.792	S	S	*	*			trans	-71.8	114.3	-177.7	27	-30.9	0	0	0	109.6	K307	P305-K307 PolarHBondContact O-N 3.11Å
306	V	23.7	Very low	24.1	Very low	120 Å²	120	156.7 Å²	156.7	73%	0.727	79%	0.792	S	S	*	*			trans	-69.2	120.5	168.3	179.6	0	0	0	0	107.6	S304 E308	S304-V306 PolarHBondContact O-N 3.07Å; V306-E308 HydrophobicContact CG1-CG 4.35Å; V306-E308 PolarHBondContact O-N 3.33Å
307	K	20.9	Very low	24	Very low	206 Å²	206	158.2 Å²	158.2	90%	0.896	79%	0.79	S	S	*	*			trans	-68.5	112.1	172.3	-69.2	177.4	176.2	179	0	108.2	P305	P305-K307 PolarHBondContact O-N 3.11Å
308	E	27.4	Very low	24.1	Very low	145 Å²	145	156.8 Å²	156.8	68%	0.678	79%	0.788	S	S	*	*			trans	-107.6	122.9	170.9	-74.5	-171.7	165.3	0	0	110.8	V306	V306-E308 HydrophobicContact CG1-CG 4.35Å; V306-E308 PolarHBondContact O-N 3.33Å
309	E	22.1	Very low	24.1	Very low	192 Å²	192	155.4 Å²	155.4	90%	0.897	79%	0.786	S	S	*	*			trans	-81.9	128.8	172.6	-74.1	179.9	154.2	0	0	110.4
310	F	22.3	Very low	24.1	Very low	188 Å²	188	156.7 Å²	156.7	83%	0.825	79%	0.792	S	S	*	*			trans	-72.6	128.1	177.4	-83.5	-95.2	0	0	0	111.8
311	T	23.3	Very low	24.1	Very low	141 Å²	141	156.8 Å²	156.8	87%	0.865	79%	0.794	S	S	*	*			trans	-121.5	118.2	154.7	23.4	0	0	0	0	111.2
312	M	20.6	Very low	24.2	Very low	154 Å²	154	162.4 Å²	162.4	76%	0.759	81%	0.811	S	S	*	*			trans	-64.8	137.6	173	-75.3	-88.8	99.3	0	0	111.9
313	L	22.2	Very low	24.2	Very low	174 Å²	174	162.2 Å²	162.2	91%	0.911	81%	0.809	S	S	*	*			trans	-141.1	117.2	152.1	-103	160.5	0	0	0	111.1
314	K	21.3	Very low	24.1	Very low	191 Å²	191	161.4 Å²	161.4	83%	0.83	82%	0.818	S	S	*	*			trans	-70.7	135.1	171.8	-65.6	168.2	174.6	172.9	0	109.8
315	Q	23.5	Very low	24	Very low	198 Å²	198	164.2 Å²	164.2	93%	0.925	82%	0.821	S	S	*	*			trans	-143.4	151.8	146.8	-78.6	-164.1	-17.1	0	0	111.9
316	Q	22.9	Very low	24.3	Very low	165 Å²	165	163.8 Å²	163.8	77%	0.771	81%	0.81	S	S	*	*			trans	-96.6	160.2	-152.9	-74.8	167	-37.5	0	0	114.1
317	R	23.9	Very low	24.8	Very low	217 Å²	217	161.4 Å²	161.4	82%	0.819	80%	0.797	S	S	*	*			trans	48.1	125.5	138	-67.7	175.8	179	-176.1	-1	119.8
318	T	27.3	Very low	25.7	Very low	147 Å²	147	157.8 Å²	157.8	90%	0.902	79%	0.788	S	S	*	*				-161.8	155	107.8	27.2	0	0	0	0	110.3
319	V	25.5	Very low	26.8	Very low	120 Å²	120	153.9 Å²	153.9	73%	0.727	77%	0.769	S	S	*	*			trans	-112.2	157.3	-170.9	168.4	0	0	0	0	107.8
320	D	26.7	Very low	29	Very low	146 Å²	146	147.5 Å²	147.5	78%	0.781	75%	0.746	S	S	*	*			trans	100.6	135.8	164.5	-60.9	-35.1	0	0	0	121.1
321	D	27.5	Very low	31.8	Very low	135 Å²	135	139.7 Å²	139.7	72%	0.722	71%	0.711	S	S	*	*			trans	77.2	74.7	168.7	-62.2	-18.3	0	0	0	120.8	L323	D321-L323 PolarHBondContact O-N 3.2Å
322	Q	26.6	Very low	34.8	Very low	200 Å²	200	134 Å²	134	94%	0.935	68%	0.676	S	S	*	*			trans	-95.9	66.7	162.9	-68.9	-173	0.4	0	0	112.3
323	L	24.8	Very low	38	Very low	153 Å²	153	126.8 Å²	126.8	80%	0.801	64%	0.64	S	S	*	*	S	Bend	trans	-100.8	106.5	153.7	-88.7	161.1	0	0	0	107.7	D321 Q325	D321-L323 PolarHBondContact O-N 3.2Å; L323-Q325 PolarHBondContact O-N 3.12Å; L323-Q325 VanDerWaalsContact O-N 3.08Å
324	L	25.7	Very low	41.3	Very low	173 Å²	173	118.5 Å²	118.5	91%	0.906	60%	0.597	S	S	*	*	S	Bend	trans	50.2	40.1	159.8	-86	139.1	0	0	0	117.2	I326	L324-I326 PolarHBondContact O-N 3.42Å
325	Q	22.6	Very low	44.8	Very low	155 Å²	155	111.5 Å²	111.5	72%	0.724	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-79.7	116.2	160.6	-72	-175.7	-0.6	0	0	109.2	L323 P327	L323-Q325 PolarHBondContact O-N 3.12Å; L323-Q325 VanDerWaalsContact O-N 3.08Å; Q325-P327 WeakPolarHBondContact O-CD 3.46Å
326	I	30.1	Very low	48.2	Very low	119 Å²	119	102.1 Å²	102.1	61%	0.61	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-51.2	119.7	159.6	-58.6	168.5	0	0	0	105.2	L324 D328	L324-I326 PolarHBondContact O-N 3.42Å; I326-D328 PolarHBondContact O-N 2.87Å; I326-D328 VanDerWaalsContact O-N 3.14Å
327	P	34.2	Very low	51.5	Low	70 Å²	70	97.2 Å²	97.2	46%	0.455	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-58.5	127.3	177.9	22.6	-30	0	0	0	107.8	Q325 Q329	Q325-P327 WeakPolarHBondContact O-CD 3.46Å; P327-Q329 PolarHBondContact O-N 3.47Å
328	D	40.3	Very low	54.9	Low	131 Å²	131	91.2 Å²	91.2	70%	0.701	49%	0.489	S	S	*	.			trans	-32.1	120.2	177.4	-67.2	-44.2	0	0	0	110.5	I326 S330	I326-D328 PolarHBondContact O-N 2.87Å; I326-D328 VanDerWaalsContact O-N 3.14Å; D328-S330 PolarHBondContact O-N 3Å
329	Q	50.5	Low	58	Low	63 Å²	63	86.1 Å²	86.1	29%	0.294	46%	0.455	S	S	.	.			trans	-52.8	118.4	-169.2	-66.3	-175.5	-23.9	0	0	110.7	P327 F331 V355	P327-Q329 PolarHBondContact O-N 3.47Å; Q329-F331 WeakPolarHBondContact CB-O 3.46Å; Q329-F331 PolarHBondContact O-N 2.89Å; Q329-V355 VanDerWaalsContact NE2-CG1 3.29Å
330	S	66.6	Low	61.2	Low	57 Å²	57	83.1 Å²	83.1	40%	0.399	44%	0.436	S	S	.	.	S	Bend	trans	-65.3	-2.6	179.7	63	0	0	0	0	114.7	D328 P388 R580	D328-S330 PolarHBondContact O-N 3Å; S330-P388 WeakPolarHBondContact O-CD 3.33Å; S330-R580 PolarHBondContact OG-NH1 2.95Å; S330-R580 VanDerWaalsContact OG-NH1 3.17Å
331	F	82.6	Confident	64.1	Low	24 Å²	24	81.9 Å²	81.9	11%	0.105	43%	0.429	C	S	.	.	S	Bend	trans	-154.3	155.2	175.8	63.3	-83.6	0	0	0	109.2	Q329 R333 N385 I386 I387 R580 Y809	Q329-F331 WeakPolarHBondContact CB-O 3.46Å; Q329-F331 PolarHBondContact O-N 2.89Å; F331-R333 HydrophobicContact CD2-CB 4.43Å; F331-R333 HydrophobicContact CE2-CB 4.2Å; F331-N385 HydrophobicContact CD2-CB 3.86Å; F331-N385 VanDerWaalsContact CD2-CG 3.43Å; F331-N385 HydrophobicContact CE2-CB 4.47Å; F331-N385 WeakPolarHBondContact CE2-ND2 3.26Å; F331-N385 WeakPolarHBondContact CE2-OD1 3.44Å; F331-I386 CarbonylContact C-O 3.53Å; F331-I386 VanDerWaalsContact CA-O 3.25Å; F331-I386 WeakPolarHBondContact CA-O 3.49Å; F331-I386 WeakPolarHBondContact CB-O 3.32Å; F331-I387 HydrophobicContact CB-CG1 4.26Å; F331-R580 HydrophobicContact CB-CG 4.22Å; F331-R580 HydrophobicContact CD1-CB 3.71Å; F331-R580 HydrophobicContact CD1-CG 3.53Å; F331-R580 HydrophobicContact CE1-CB 3.7Å; F331-R580 HydrophobicContact CE1-CG 4.08Å; F331-R580 HydrophobicContact CG-CB 4.38Å; F331-R580 HydrophobicContact CG-CG 3.99Å; F331-R580 HydrophobicContact CZ-CB 4.36Å; F331-Y809 HydrophobicContact CE2-CE2 4.09Å; F331-Y809 AromaticContact CZ-CE2 3.89Å; F331-Y809 HydrophobicContact CZ-CE2 3.89Å
332	L	85.1	Confident	66.9	Low	21 Å²	21	79.8 Å²	79.8	11%	0.11	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	133.9	169.2	-65.2	175.1	0	0	0	109.2	L352 M365 N385 I386 V398	L332-L352 HydrophobicContact CB-CD2 4.18Å; L332-L352 HydrophobicContact CD1-CD1 4.4Å; L332-M365 HydrophobicContact CD1-CE 4.03Å; L332-M365 HydrophobicContact CD1-SD 3.73Å; L332-N385 CarbonylContact O-C 3.59Å; L332-N385 WeakPolarHBondContact O-CA 3.47Å; L332-I386 HydrophobicContact CB-CB 4.28Å; L332-I386 HydrophobicContact CB-CD1 4.38Å; L332-I386 PolarHBondContact N-O 3.14Å; L332-I386 PolarHBondContact O-N 3.01Å; L332-V398 HydrophobicContact CD1-CB 3.69Å; L332-V398 HydrophobicContact CD1-CG1 3.6Å; L332-V398 HydrophobicContact CG-CB 4.38Å
333	R	88.6	Confident	69.4	Low	3 Å²	3	76.7 Å²	76.7	1%	0.011	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	139.8	174.8	-174.6	169.1	155.8	155.6	11.9	110.7	F331 D353 I383 I384 N385 D426 N579 Y809	F331-R333 HydrophobicContact CD2-CB 4.43Å; F331-R333 HydrophobicContact CE2-CB 4.2Å; R333-D353 WeakPolarHBondContact CG-OD2 3.47Å; R333-D353 IonicContact NE-OD2 2.78Å; R333-D353 PolarHBondContact NE-OD2 3.23Å; R333-D353 PolarHBondContact O-N 3.1Å; R333-I383 HydrophobicContact CG-CG2 4.1Å; R333-I384 WeakPolarHBondContact CA-O 3.47Å; R333-N385 WeakPolarHBondContact CB-OD1 3.22Å; R333-N385 WeakPolarHBondContact CD-OD1 3.46Å; R333-N385 WeakPolarHBondContact CG-OD1 3.45Å; R333-D426 IonicContact CZ-OD1 3.63Å; R333-D426 IonicContact CZ-OD2 3.67Å; R333-D426 IonicContact NH1-OD1 2.73Å; R333-D426 PolarHBondContact NH1-OD1 2.55Å; R333-D426 IonicContact NH1-OD2 2.87Å; R333-D426 VanDerWaalsContact NH2-CG 3.32Å; R333-D426 IonicContact NH2-OD1 3.73Å; R333-D426 PolarHBondContact NH2-OD1 3.37Å; R333-D426 VanDerWaalsContact NH2-OD1 3.14Å; R333-D426 IonicContact NH2-OD2 2.95Å; R333-D426 PolarHBondContact NH2-OD2 3.01Å; R333-N579 PolarHBondContact NH1-OD1 2.8Å; R333-Y809 HydrophobicContact CB-CE1 4.41Å; R333-Y809 VanDerWaalsContact CD-CE1 3.41Å; R333-Y809 HydrophobicContact CG-CE1 4.39Å
334	G	90.9	Very high	72.2	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	174.5	175.5	0	0	0	0	0	113.7	K351 I383 I384	G334-K351 CarbonylContact C-O 3.54Å; G334-K351 WeakPolarHBondContact CA-O 3.29Å; G334-I383 CarbonylContact O-C 3.22Å; G334-I383 WeakPolarHBondContact O-CA 3.33Å; G334-I384 PolarHBondContact N-O 2.89Å; G334-I384 PolarHBondContact O-N 2.92Å
335	T	94.3	Very high	75.2	Confident	44 Å²	44	67.3 Å²	67.3	27%	0.27	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	131.9	178.2	-56	0	0	0	0	110	V337 V350 K351	T335-V337 PolarHBondContact O-N 3.05Å; T335-V350 WeakPolarHBondContact O-CA 3.13Å; T335-K351 PolarHBondContact N-O 2.87Å; T335-K351 PolarHBondContact O-N 2.88Å
336	V	95.1	Very high	78.4	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.006	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	121.1	176.3	-178.1	0	0	0	0	109.7	I339 L348 I378 K381 D382 I384	V336-I339 HydrophobicContact CG1-CD1 4.13Å; V336-I339 HydrophobicContact CG1-CG1 3.69Å; V336-L348 HydrophobicContact CG1-CD2 4.41Å; V336-I378 HydrophobicContact CG2-CD1 3.7Å; V336-I378 HydrophobicContact CG2-CG1 3.99Å; V336-K381 WeakPolarHBondContact O-CA 3.48Å; V336-K381 PolarHBondContact O-N 3.28Å; V336-D382 WeakPolarHBondContact CG2-O 3.04Å; V336-D382 PolarHBondContact N-O 2.89Å; V336-I384 HydrophobicContact CG2-CD1 4.28Å; V336-I384 HydrophobicContact CG2-CG1 4.34Å; V336-I384 HydrophobicContact CG2-CG2 3.93Å
337	V	93.8	Very high	81.4	Confident	63 Å²	63	56.7 Å²	56.7	38%	0.382	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-35.6	-179.7	-177.3	0	0	0	0	111.6	T335 V349 K351 I380	T335-V337 PolarHBondContact O-N 3.05Å; V337-V349 PolarHBondContact N-O 3.22Å; V337-K351 HydrophobicContact CG2-CB 3.6Å; V337-I380 WeakPolarHBondContact O-CG2 3.43Å
338	Q	93.6	Very high	84.2	Confident	91 Å²	91	53.3 Å²	53.3	43%	0.425	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	147.3	-178.3	-175	178.4	-11.4	0	0	110.2	N340 L348 V349	Q338-N340 PolarHBondContact NE2-ND2 3.09Å; Q338-N340 PolarHBondContact NE2-OD1 3.04Å; Q338-L348 WeakPolarHBondContact O-CA 3.24Å; Q338-V349 HydrophobicContact CB-CB 3.9Å; Q338-V349 HydrophobicContact CB-CG2 3.94Å; Q338-V349 HydrophobicContact CG-CG2 4.48Å; Q338-V349 PolarHBondContact N-O 2.96Å; Q338-V349 PolarHBondContact O-N 3.43Å
339	I	93.5	Very high	86.7	Confident	39 Å²	39	47.9 Å²	47.9	20%	0.2	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	122.2	176.5	-57.1	176.4	0	0	0	107.4	V336 N341 I346 L348 I378 I380	V336-I339 HydrophobicContact CG1-CD1 4.13Å; V336-I339 HydrophobicContact CG1-CG1 3.69Å; I339-N341 WeakPolarHBondContact CG2-OD1 3.32Å; I339-I346 HydrophobicContact CG2-CG2 3.68Å; I339-L348 HydrophobicContact CB-CD2 4.33Å; I339-L348 HydrophobicContact CG1-CD2 3.83Å; I339-L348 HydrophobicContact CG2-CD2 4.09Å; I339-I378 HydrophobicContact CD1-CG2 4.2Å; I339-I380 HydrophobicContact CD1-CG1 4.07Å; I339-I380 HydrophobicContact CG1-CG1 4.13Å
340	N	92.2	Very high	88.6	Confident	58 Å²	58	44.9 Å²	44.9	31%	0.31	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	106.3	174.9	-63.9	-25.1	0	0	0	108.4	Q338 E347	Q338-N340 PolarHBondContact NE2-ND2 3.09Å; Q338-N340 PolarHBondContact NE2-OD1 3.04Å; N340-E347 HydrophobicContact CB-CB 4.23Å; N340-E347 PolarHBondContact N-O 2.83Å; N340-E347 PolarHBondContact O-N 2.75Å
341	N	88.1	Confident	89.8	Confident	119 Å²	119	47.9 Å²	47.9	64%	0.636	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	125.7	176.4	-64.3	-26.7	0	0	0	109.7	I339	I339-N341 WeakPolarHBondContact CG2-OD1 3.32Å
342	K	85.8	Confident	90	Very high	91 Å²	91	47.4 Å²	47.4	40%	0.396	25%	0.251	S	S	.	.			trans	-110.4	171.1	168	-61.1	176.7	-174.5	166.8	0	108.5	D344 Q345 E347	K342-D344 PolarHBondContact O-N 2.9Å; K342-Q345 WeakPolarHBondContact CA-O 3.38Å; K342-Q345 HydrophobicContact CB-CG 3.88Å; K342-Q345 WeakPolarHBondContact CB-O 3.43Å; K342-Q345 HydrophobicContact CD-CG 3.96Å; K342-Q345 HydrophobicContact CG-CG 4.41Å; K342-Q345 PolarHBondContact N-O 3.4Å; K342-E347 WeakPolarHBondContact CE-OE2 3.49Å; K342-E347 IonicContact NZ-OE2 3.44Å; K342-E347 PolarHBondContact NZ-OE2 2.8Å
343	C	78.3	Confident	89.9	Confident	135 Å²	135	48.2 Å²	48.2	91%	0.912	26%	0.256	S	S	*	.	S	Bend	trans	-59.2	-30.9	-173.8	-64.1	0	0	0	0	114.3
344	D	83.4	Confident	89	Confident	105 Å²	105	52 Å²	52	56%	0.561	28%	0.276	S	S	*	.	S	Bend	trans	-128.9	-3	-171.1	62.9	-25.9	0	0	0	113.9	K342	K342-D344 PolarHBondContact O-N 2.9Å
345	Q	88.8	Confident	87.5	Confident	25 Å²	25	54.7 Å²	54.7	12%	0.117	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	153	-175.4	66	-170.7	-19.7	0	0	111.5	K342 I368 L369 R370	K342-Q345 WeakPolarHBondContact CA-O 3.38Å; K342-Q345 HydrophobicContact CB-CG 3.88Å; K342-Q345 WeakPolarHBondContact CB-O 3.43Å; K342-Q345 HydrophobicContact CD-CG 3.96Å; K342-Q345 HydrophobicContact CG-CG 4.41Å; K342-Q345 PolarHBondContact N-O 3.4Å; Q345-I368 HydrophobicContact CB-CG2 4.07Å; Q345-I368 HydrophobicContact CG-CG2 4.33Å; Q345-I368 VanDerWaalsContact OE1-CG2 3.27Å; Q345-L369 CarbonylContact C-O 3.57Å; Q345-L369 WeakPolarHBondContact CA-O 3.24Å; Q345-L369 WeakPolarHBondContact CB-O 3.16Å; Q345-R370 HydrophobicContact CB-CG 3.82Å; Q345-R370 VanDerWaalsContact OE1-CZ 3.32Å
346	I	91.5	Very high	85.4	Confident	14 Å²	14	56.8 Å²	56.8	7%	0.072	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	125.6	171.2	-58.7	-176	0	0	0	108.4	I339 L348 I368 L369 F374	I339-I346 HydrophobicContact CG2-CG2 3.68Å; I346-L348 HydrophobicContact CG2-CD2 3.68Å; I346-L348 HydrophobicContact CG2-CG 4.23Å; I346-I368 CarbonylContact O-C 3.57Å; I346-I368 WeakPolarHBondContact O-CA 3.32Å; I346-L369 HydrophobicContact CB-CB 4.38Å; I346-L369 PolarHBondContact N-O 3.12Å; I346-L369 PolarHBondContact O-N 2.87Å; I346-F374 HydrophobicContact CD1-CD2 4.35Å; I346-F374 HydrophobicContact CD1-CE2 4.46Å; I346-F374 WeakPolarHBondContact CD1-O 3.09Å; I346-F374 HydrophobicContact CG1-CD2 3.68Å; I346-F374 HydrophobicContact CG1-CE2 3.75Å
347	E	92.2	Very high	83.1	Confident	36 Å²	36	59.9 Å²	59.9	17%	0.168	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	124	173.5	179.9	174.9	-168.8	0	0	110	N340 K342 I368	N340-E347 HydrophobicContact CB-CB 4.23Å; N340-E347 PolarHBondContact N-O 2.83Å; N340-E347 PolarHBondContact O-N 2.75Å; K342-E347 WeakPolarHBondContact CE-OE2 3.49Å; K342-E347 IonicContact NZ-OE2 3.44Å; K342-E347 PolarHBondContact NZ-OE2 2.8Å; E347-I368 HydrophobicContact CB-CG1 4.5Å; E347-I368 HydrophobicContact CG-CG1 4.32Å
348	L	93.5	Very high	80.8	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	134.4	-176.3	-53.1	169.6	0	0	0	109.5	V336 Q338 I339 I346 V350 N366 V367 L369 I378 I421	V336-L348 HydrophobicContact CG1-CD2 4.41Å; Q338-L348 WeakPolarHBondContact O-CA 3.24Å; I339-L348 HydrophobicContact CB-CD2 4.33Å; I339-L348 HydrophobicContact CG1-CD2 3.83Å; I339-L348 HydrophobicContact CG2-CD2 4.09Å; I346-L348 HydrophobicContact CG2-CD2 3.68Å; I346-L348 HydrophobicContact CG2-CG 4.23Å; L348-V350 HydrophobicContact CB-CG2 4.16Å; L348-N366 CarbonylContact O-C 3.55Å; L348-N366 WeakPolarHBondContact O-CA 3.39Å; L348-V367 HydrophobicContact CB-CB 4.24Å; L348-V367 WeakPolarHBondContact CB-O 3.02Å; L348-V367 HydrophobicContact CD1-CB 4.35Å; L348-V367 HydrophobicContact CD1-CG1 4.39Å; L348-V367 PolarHBondContact N-O 3.01Å; L348-V367 PolarHBondContact O-N 3.36Å; L348-L369 HydrophobicContact CD1-CD1 3.9Å; L348-L369 HydrophobicContact CD1-CD2 4.41Å; L348-L369 HydrophobicContact CD1-CG 3.98Å; L348-I378 HydrophobicContact CD1-CD1 3.46Å; L348-I378 VanDerWaalsContact CD1-CD1 3.46Å; L348-I378 HydrophobicContact CD2-CD1 3.91Å; L348-I378 HydrophobicContact CD2-CG2 3.98Å; L348-I378 HydrophobicContact CG-CD1 4.32Å; L348-I421 HydrophobicContact CD1-CD1 4.12Å
349	V	92	Very high	78.2	Confident	16 Å²	16	62.7 Å²	62.7	10%	0.097	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	115.6	166.5	-174	0	0	0	0	108	V337 Q338 K364	V337-V349 PolarHBondContact N-O 3.22Å; Q338-V349 HydrophobicContact CB-CB 3.9Å; Q338-V349 HydrophobicContact CB-CG2 3.94Å; Q338-V349 HydrophobicContact CG-CG2 4.48Å; Q338-V349 PolarHBondContact N-O 2.96Å; Q338-V349 PolarHBondContact O-N 3.43Å; V349-K364 HydrophobicContact CG1-CB 4.15Å; V349-K364 HydrophobicContact CG1-CD 3.98Å; V349-K364 HydrophobicContact CG1-CG 4.31Å
350	V	91.5	Very high	75.9	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	125.6	-173.2	-175.1	0	0	0	0	108.6	T335 L348 L352 K364 M365 V367 I384	T335-V350 WeakPolarHBondContact O-CA 3.13Å; L348-V350 HydrophobicContact CB-CG2 4.16Å; V350-L352 HydrophobicContact CG1-CD2 4.25Å; V350-K364 CarbonylContact O-C 3.55Å; V350-K364 WeakPolarHBondContact O-CA 3.45Å; V350-M365 PolarHBondContact N-O 3.07Å; V350-M365 PolarHBondContact O-N 3.14Å; V350-V367 HydrophobicContact CG2-CB 4.36Å; V350-V367 HydrophobicContact CG2-CG2 3.84Å; V350-I384 HydrophobicContact CB-CD1 4.42Å; V350-I384 HydrophobicContact CG1-CD1 3.94Å; V350-I384 HydrophobicContact CG1-CG1 4.06Å; V350-I384 HydrophobicContact CG2-CD1 3.58Å
351	K	90.8	Very high	73.6	Confident	120 Å²	120	72 Å²	72	52%	0.522	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	112.2	169.2	-180	179.5	-179.3	-179.9	0	108	G334 T335 V337	G334-K351 CarbonylContact C-O 3.54Å; G334-K351 WeakPolarHBondContact CA-O 3.29Å; T335-K351 PolarHBondContact N-O 2.87Å; T335-K351 PolarHBondContact O-N 2.88Å; V337-K351 HydrophobicContact CG2-CB 3.6Å
352	L	87.5	Confident	71.9	Confident	14 Å²	14	77 Å²	77	7%	0.073	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	147	-179.9	-61.8	179.5	0	0	0	111.2	L332 V350 T363 M365	L332-L352 HydrophobicContact CB-CD2 4.18Å; L332-L352 HydrophobicContact CD1-CD1 4.4Å; V350-L352 HydrophobicContact CG1-CD2 4.25Å; L352-T363 PolarHBondContact N-O 2.71Å; L352-T363 VanDerWaalsContact N-O 3.09Å; L352-M365 HydrophobicContact CD1-CB 4.18Å; L352-M365 HydrophobicContact CD1-SD 4.12Å; L352-M365 HydrophobicContact CD2-CB 4.42Å; L352-M365 HydrophobicContact CD2-SD 4.14Å; L352-M365 HydrophobicContact CG-CB 4.2Å
353	D	82.5	Confident	71.2	Confident	39 Å²	39	74.7 Å²	74.7	21%	0.209	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-70.9	133.7	171.8	-72.7	-11.1	0	0	0	108.8	R333 V355	R333-D353 WeakPolarHBondContact CG-OD2 3.47Å; R333-D353 IonicContact NE-OD2 2.78Å; R333-D353 PolarHBondContact NE-OD2 3.23Å; R333-D353 PolarHBondContact O-N 3.1Å; D353-V355 PolarHBondContact O-N 3.01Å
354	D	69.6	Low	71.4	Confident	81 Å²	81	74.8 Å²	74.8	43%	0.433	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-73.5	123.1	-178.3	-175.4	8.8	0	0	0	111	S356 G357	D354-S356 PolarHBondContact OD1-N 3.03Å; D354-S356 VanDerWaalsContact OD1-N 3.12Å; D354-G357 PolarHBondContact OD1-N 3.07Å
355	V	58.8	Low	71.5	Confident	58 Å²	58	70 Å²	70	35%	0.352	38%	0.378	S	S	.	.	S	Bend	trans	-103.1	-27.1	-178.1	-172.8	0	0	0	0	111.3	Q329 D353 L813	Q329-V355 VanDerWaalsContact NE2-CG1 3.29Å; D353-V355 PolarHBondContact O-N 3.01Å; V355-L813 HydrophobicContact CG1-CD2 4.24Å
356	S	51.5	Low	71.5	Confident	88 Å²	88	71.4 Å²	71.4	62%	0.615	39%	0.386	S	S	*	.	S	Bend	trans	-97.5	-3.6	-169.6	51	0	0	0	0	114.4	D354 T358	D354-S356 PolarHBondContact OD1-N 3.03Å; D354-S356 VanDerWaalsContact OD1-N 3.12Å; S356-T358 PolarHBondContact O-N 3.09Å; S356-T358 PolarHBondContact OG-OG1 2.78Å
357	G	46.7	Very low	71.4	Confident	65 Å²	65	70.7 Å²	70.7	67%	0.67	38%	0.382	S	S	*	.			trans	66.8	4.4	177.4	0	0	0	0	0	114.2	D354	D354-G357 PolarHBondContact OD1-N 3.07Å
358	T	44.9	Very low	71.4	Confident	77 Å²	77	69.9 Å²	69.9	47%	0.472	38%	0.379	S	S	.	.			trans	-85	116.9	172.8	47.7	0	0	0	0	107.8	S356 D360	S356-T358 PolarHBondContact O-N 3.09Å; S356-T358 PolarHBondContact OG-OG1 2.78Å; T358-D360 PolarHBondContact O-N 3.24Å
359	T	39.5	Very low	71.3	Confident	136 Å²	136	69.9 Å²	69.9	83%	0.834	38%	0.379	S	S	*	.			trans	-67.4	46.6	-178.4	49.9	0	0	0	0	114.1
360	D	45	Very low	71.2	Confident	140 Å²	140	73.5 Å²	73.5	75%	0.749	39%	0.391	S	S	*	.			trans	-88.1	110.7	173.2	-87.7	-17.3	0	0	0	110.1	T358 R362	T358-D360 PolarHBondContact O-N 3.24Å; D360-R362 PolarHBondContact O-N 2.88Å
361	N	44.7	Very low	71	Confident	154 Å²	154	77.1 Å²	77.1	82%	0.824	41%	0.41	S	S	*	.			trans	-69.1	24.2	-175	-105.3	-27.3	0	0	0	115.3
362	R	51.1	Low	70.9	Confident	222 Å²	222	73.2 Å²	73.2	84%	0.838	40%	0.398	S	S	*	.			trans	-146.2	58.2	-166.7	-68.6	-171.8	178	154.7	-0.9	117.7	D360	D360-R362 PolarHBondContact O-N 2.88Å
363	T	71.6	Confident	71.1	Confident	44 Å²	44	72.5 Å²	72.5	27%	0.27	39%	0.394	S	S	.	.			trans	-116.1	67	158.4	53.1	0	0	0	0	110.6	L352 N400	L352-T363 PolarHBondContact N-O 2.71Å; L352-T363 VanDerWaalsContact N-O 3.09Å; T363-N400 HydrophobicContact CG2-CB 4.09Å
364	K	81.8	Confident	71.4	Confident	137 Å²	137	74.4 Å²	74.4	60%	0.596	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	131.9	161.2	-73.2	-176.1	178.6	-177.1	0	107.8	V349 V350	V349-K364 HydrophobicContact CG1-CB 4.15Å; V349-K364 HydrophobicContact CG1-CD 3.98Å; V349-K364 HydrophobicContact CG1-CG 4.31Å; V350-K364 CarbonylContact O-C 3.55Å; V350-K364 WeakPolarHBondContact O-CA 3.45Å
365	M	85.3	Confident	72.2	Confident	4 Å²	4	74.7 Å²	74.7	2%	0.02	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.9	-178.8	-175.9	-176.7	-179.9	0	0	109.4	L332 V350 L352 I386 V398 V404	L332-M365 HydrophobicContact CD1-CE 4.03Å; L332-M365 HydrophobicContact CD1-SD 3.73Å; V350-M365 PolarHBondContact N-O 3.07Å; V350-M365 PolarHBondContact O-N 3.14Å; L352-M365 HydrophobicContact CD1-CB 4.18Å; L352-M365 HydrophobicContact CD1-SD 4.12Å; L352-M365 HydrophobicContact CD2-CB 4.42Å; L352-M365 HydrophobicContact CD2-SD 4.14Å; L352-M365 HydrophobicContact CG-CB 4.2Å; M365-I386 HydrophobicContact CE-CD1 4.18Å; M365-I386 HydrophobicContact SD-CD1 3.71Å; M365-V398 HydrophobicContact CE-CG1 3.58Å; M365-V404 HydrophobicContact CE-CB 3.68Å; M365-V404 HydrophobicContact CE-CG2 3.09Å
366	N	89.1	Confident	73.7	Confident	54 Å²	54	72.3 Å²	72.3	29%	0.289	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	127.4	175.2	-69.7	-11.9	0	0	0	109.8	L348 T403 V404	L348-N366 CarbonylContact O-C 3.55Å; L348-N366 WeakPolarHBondContact O-CA 3.39Å; N366-T403 HydrophobicContact CB-CG2 4.09Å; N366-T403 CarbonylContact O-C 3.48Å; N366-T403 VanDerWaalsContact O-CA 3.29Å; N366-T403 WeakPolarHBondContact O-CA 3.13Å; N366-V404 PolarHBondContact O-N 3.47Å
367	V	90.7	Very high	75.6	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	123.8	176.5	-177.9	0	0	0	0	108.7	L348 V350 L369 I386 V404 I406	L348-V367 HydrophobicContact CB-CB 4.24Å; L348-V367 WeakPolarHBondContact CB-O 3.02Å; L348-V367 HydrophobicContact CD1-CB 4.35Å; L348-V367 HydrophobicContact CD1-CG1 4.39Å; L348-V367 PolarHBondContact N-O 3.01Å; L348-V367 PolarHBondContact O-N 3.36Å; V350-V367 HydrophobicContact CG2-CB 4.36Å; V350-V367 HydrophobicContact CG2-CG2 3.84Å; V367-L369 HydrophobicContact CG1-CD2 4.15Å; V367-I386 HydrophobicContact CG2-CD1 3.51Å; V367-I386 HydrophobicContact CG2-CG1 4.22Å; V367-V404 CarbonylContact C-O 3.6Å; V367-V404 WeakPolarHBondContact CA-O 3.33Å; V367-I406 HydrophobicContact CG1-CD1 3.79Å; V367-I406 HydrophobicContact CG1-CG1 4.13Å
368	I	90.5	Very high	77.9	Confident	19 Å²	19	68 Å²	68	10%	0.097	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	122.7	-179.8	-58.9	177.3	0	0	0	108.4	Q345 I346 E347 R370 T403 V404 I405 I406	Q345-I368 HydrophobicContact CB-CG2 4.07Å; Q345-I368 HydrophobicContact CG-CG2 4.33Å; Q345-I368 VanDerWaalsContact OE1-CG2 3.27Å; I346-I368 CarbonylContact O-C 3.57Å; I346-I368 WeakPolarHBondContact O-CA 3.32Å; E347-I368 HydrophobicContact CB-CG1 4.5Å; E347-I368 HydrophobicContact CG-CG1 4.32Å; I368-R370 HydrophobicContact CG2-CG 4.13Å; I368-T403 HydrophobicContact CD1-CG2 3.57Å; I368-T403 HydrophobicContact CG1-CG2 3.86Å; I368-V404 PolarHBondContact N-O 2.89Å; I368-I405 HydrophobicContact CB-CG1 4.25Å; I368-I405 HydrophobicContact CD1-CG1 4.34Å; I368-I405 CarbonylContact O-C 3.56Å; I368-I405 WeakPolarHBondContact O-CA 3.41Å; I368-I406 PolarHBondContact O-N 2.89Å
369	L	92.7	Very high	80.2	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	129.4	173.7	-52.9	-176.4	0	0	0	109.9	Q345 I346 L348 V367 W373 I406 I421	Q345-L369 CarbonylContact C-O 3.57Å; Q345-L369 WeakPolarHBondContact CA-O 3.24Å; Q345-L369 WeakPolarHBondContact CB-O 3.16Å; I346-L369 HydrophobicContact CB-CB 4.38Å; I346-L369 PolarHBondContact N-O 3.12Å; I346-L369 PolarHBondContact O-N 2.87Å; L348-L369 HydrophobicContact CD1-CD1 3.9Å; L348-L369 HydrophobicContact CD1-CD2 4.41Å; L348-L369 HydrophobicContact CD1-CG 3.98Å; V367-L369 HydrophobicContact CG1-CD2 4.15Å; L369-W373 HydrophobicContact CB-CB 4.16Å; L369-I406 WeakPolarHBondContact CA-O 3.39Å; L369-I406 HydrophobicContact CD2-CB 3.87Å; L369-I406 HydrophobicContact CD2-CD1 3.9Å; L369-I406 HydrophobicContact CD2-CG1 4.19Å; L369-I406 HydrophobicContact CD2-CG2 4.47Å; L369-I421 HydrophobicContact CD2-CD1 4.29Å; L369-I421 HydrophobicContact CD2-CG2 4.12Å
370	R	89	Confident	82.8	Confident	91 Å²	91	64.7 Å²	64.7	34%	0.343	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	170.7	179	-68.3	-173	176.5	178.8	-1.4	111.8	Q345 I368 S372 W373 I405 I406	Q345-R370 HydrophobicContact CB-CG 3.82Å; Q345-R370 VanDerWaalsContact OE1-CZ 3.32Å; I368-R370 HydrophobicContact CG2-CG 4.13Å; R370-S372 PolarHBondContact O-N 3.34Å; R370-W373 WeakPolarHBondContact O-CB 2.86Å; R370-W373 PolarHBondContact O-N 3.16Å; R370-I405 HydrophobicContact CG-CG2 4.45Å; R370-I406 PolarHBondContact N-O 3.3Å
371	D	88.8	Confident	85.1	Confident	77 Å²	77	66.1 Å²	66.1	41%	0.412	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	52.7	-132.7	174.8	-44.9	-42.1	0	0	0	111.8	W373 F374 S407 D408	D371-W373 PolarHBondContact O-N 3.46Å; D371-F374 VanDerWaalsContact O-CB 3.24Å; D371-F374 WeakPolarHBondContact O-CB 3.37Å; D371-F374 PolarHBondContact O-N 3.25Å; D371-S407 WeakPolarHBondContact OD2-CB 3.33Å; D371-D408 HydrophobicContact CB-CB 3.68Å; D371-D408 VanDerWaalsContact CB-CG 3.43Å; D371-D408 VanDerWaalsContact CB-OD2 3.23Å; D371-D408 WeakPolarHBondContact CB-OD2 3.43Å; D371-D408 PolarHBondContact OD2-N 2.93Å
372	S	88.1	Confident	87.5	Confident	37 Å²	37	58.9 Å²	58.9	26%	0.259	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-65.5	-6.7	178.5	76.8	0	0	0	0	114.9	R370 D408 Q693	R370-S372 PolarHBondContact O-N 3.34Å; S372-D408 WeakPolarHBondContact CB-OD2 3.21Å; S372-D408 PolarHBondContact N-OD2 3.49Å; S372-D408 PolarHBondContact OG-OD1 3.12Å; S372-D408 PolarHBondContact OG-OD2 3.04Å; S372-Q693 PolarHBondContact O-NE2 2.89Å; S372-Q693 VanDerWaalsContact O-NE2 3.07Å; S372-Q693 PolarHBondContact OG-NE2 2.72Å
373	W	91.1	Very high	89.6	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-89	-13.7	171.8	-64.6	98	0	0	0	113.6	L369 R370 D371 D375 T376 I406 A420 I421 R689 I692 Q693	L369-W373 HydrophobicContact CB-CB 4.16Å; R370-W373 WeakPolarHBondContact O-CB 2.86Å; R370-W373 PolarHBondContact O-N 3.16Å; D371-W373 PolarHBondContact O-N 3.46Å; W373-D375 PolarHBondContact O-N 3.12Å; W373-T376 WeakPolarHBondContact O-CB 3.31Å; W373-T376 PolarHBondContact O-N 3.3Å; W373-T376 PolarHBondContact O-OG1 3.28Å; W373-I406 HydrophobicContact CD2-CG2 3.91Å; W373-I406 HydrophobicContact CG-CG2 3.84Å; W373-I406 HydrophobicContact CZ2-CG2 4.49Å; W373-A420 HydrophobicContact CH2-CB 3.52Å; W373-A420 HydrophobicContact CZ2-CB 3.64Å; W373-I421 HydrophobicContact CD2-CG2 4.48Å; W373-I421 HydrophobicContact CE3-CG2 3.54Å; W373-I421 HydrophobicContact CZ3-CG2 3.58Å; W373-R689 HydrophobicContact CZ2-CG 3.72Å; W373-I692 HydrophobicContact CH2-CB 4.37Å; W373-I692 HydrophobicContact CH2-CG2 3.88Å; W373-I692 HydrophobicContact CZ3-CG2 4.34Å; W373-Q693 HydrophobicContact CD2-CG 4.36Å; W373-Q693 HydrophobicContact CE3-CG 3.93Å; W373-Q693 HydrophobicContact CH2-CG 3.95Å; W373-Q693 HydrophobicContact CZ2-CG 4.39Å; W373-Q693 HydrophobicContact CZ3-CG 3.71Å
374	F	88.3	Confident	90.8	Very high	79 Å²	79	47.7 Å²	47.7	35%	0.346	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-33.6	179.8	172.8	-102.5	0	0	0	112.9	I346 D371 T376	I346-F374 HydrophobicContact CD1-CD2 4.35Å; I346-F374 HydrophobicContact CD1-CE2 4.46Å; I346-F374 WeakPolarHBondContact CD1-O 3.09Å; I346-F374 HydrophobicContact CG1-CD2 3.68Å; I346-F374 HydrophobicContact CG1-CE2 3.75Å; D371-F374 VanDerWaalsContact O-CB 3.24Å; D371-F374 WeakPolarHBondContact O-CB 3.37Å; D371-F374 PolarHBondContact O-N 3.25Å; F374-T376 VanDerWaalsContact C-N 3.25Å; F374-T376 PolarHBondContact O-N 3.45Å
375	D	86.3	Confident	91.3	Very high	86 Å²	86	41.1 Å²	41.1	46%	0.46	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	8	-178.6	77.5	-26.5	0	0	0	113.8	W373 P377 R697	W373-D375 PolarHBondContact O-N 3.12Å; D375-P377 WeakPolarHBondContact O-CD 3.44Å; D375-R697 IonicContact OD1-NH2 3.56Å; D375-R697 PolarHBondContact OD1-NH2 3.02Å; D375-R697 IonicContact OD2-CZ 3.9Å; D375-R697 IonicContact OD2-NE 3.24Å; D375-R697 IonicContact OD2-NH2 2.64Å; D375-R697 PolarHBondContact OD2-NH2 2.85Å
376	T	92.1	Very high	91.5	Very high	9 Å²	9	41 Å²	41	6%	0.055	20%	0.201	C	C	.	.			trans	-59	123.4	-179.2	-60.1	0	0	0	0	109.9	W373 F374 I378	W373-T376 WeakPolarHBondContact O-CB 3.31Å; W373-T376 PolarHBondContact O-N 3.3Å; W373-T376 PolarHBondContact O-OG1 3.28Å; F374-T376 VanDerWaalsContact C-N 3.25Å; F374-T376 PolarHBondContact O-N 3.45Å; T376-I378 HydrophobicContact CG2-CB 4.4Å; T376-I378 PolarHBondContact O-N 3.07Å
377	P	91.1	Very high	91.5	Very high	42 Å²	42	38.4 Å²	38.4	27%	0.273	19%	0.187	S	C	.	.			trans	-80.2	61.9	-172.8	34.6	-39.3	0	0	0	112.1	D375 L423 S700	D375-P377 WeakPolarHBondContact O-CD 3.44Å; P377-L423 WeakPolarHBondContact O-CD2 3.31Å; P377-S700 WeakPolarHBondContact CB-OG 3.42Å; P377-S700 VanDerWaalsContact CG-CB 3.41Å; P377-S700 PolarHBondContact O-OG 3.22Å
378	I	94.1	Very high	91	Very high	19 Å²	19	40.5 Å²	40.5	10%	0.097	20%	0.201	C	C	.	.			trans	-88.7	145	-174.9	-166.3	164.2	0	0	0	112	V336 I339 L348 T376 I384 I421 L423	V336-I378 HydrophobicContact CG2-CD1 3.7Å; V336-I378 HydrophobicContact CG2-CG1 3.99Å; I339-I378 HydrophobicContact CD1-CG2 4.2Å; L348-I378 HydrophobicContact CD1-CD1 3.46Å; L348-I378 VanDerWaalsContact CD1-CD1 3.46Å; L348-I378 HydrophobicContact CD2-CD1 3.91Å; L348-I378 HydrophobicContact CD2-CG2 3.98Å; L348-I378 HydrophobicContact CG-CD1 4.32Å; T376-I378 HydrophobicContact CG2-CB 4.4Å; T376-I378 PolarHBondContact O-N 3.07Å; I378-I384 HydrophobicContact CD1-CG2 4.03Å; I378-I421 HydrophobicContact CD1-CD1 4.04Å; I378-L423 HydrophobicContact CB-CD1 4.34Å; I378-L423 HydrophobicContact CD1-CD1 4.35Å; I378-L423 HydrophobicContact CG1-CD1 3.86Å
379	R	93.8	Very high	90.5	Very high	46 Å²	46	40 Å²	40	17%	0.174	20%	0.198	C	C	.	.			trans	-132.2	159	-178.6	-49.9	177.7	-174.1	104.7	6	111.3	D382 S700 D704	R379-D382 WeakPolarHBondContact CA-OD2 3.31Å; R379-D382 WeakPolarHBondContact CB-OD2 3.43Å; R379-D382 PolarHBondContact N-OD2 3.21Å; R379-D382 VanDerWaalsContact O-CB 3.31Å; R379-D382 WeakPolarHBondContact O-CB 3.36Å; R379-D382 PolarHBondContact O-N 3.28Å; R379-D382 VanDerWaalsContact O-N 3.16Å; R379-S700 PolarHBondContact NH2-OG 3.26Å; R379-D704 IonicContact CZ-OD1 3.27Å; R379-D704 VanDerWaalsContact CZ-OD1 3.27Å; R379-D704 IonicContact NE-OD1 3.79Å; R379-D704 IonicContact NH1-OD1 2.78Å; R379-D704 IonicContact NH2-OD1 3.7Å; R379-D704 PolarHBondContact NH2-OD1 3.27Å; R379-D704 IonicContact NH2-OD2 2.78Å; R379-D704 PolarHBondContact NH2-OD2 2.94Å
380	I	93.7	Very high	89.7	Confident	98 Å²	98	40 Å²	40	50%	0.503	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	140.5	171.2	-57	175.1	0	0	0	108.7	V337 I339 D382	V337-I380 WeakPolarHBondContact O-CG2 3.43Å; I339-I380 HydrophobicContact CD1-CG1 4.07Å; I339-I380 HydrophobicContact CG1-CG1 4.13Å; I380-D382 VanDerWaalsContact C-N 3.26Å; I380-D382 PolarHBondContact O-N 3.45Å
381	K	93.5	Very high	89.1	Confident	170 Å²	170	36.9 Å²	36.9	74%	0.739	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	73	-1.8	-172.1	-53	-179	178.4	175.8	0	116.1	V336	V336-K381 WeakPolarHBondContact O-CA 3.48Å; V336-K381 PolarHBondContact O-N 3.28Å
382	D	95.7	Very high	88	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.011	18%	0.179	C	C	.	.			trans	-65.7	140.7	172.6	-70.6	-13.6	0	0	0	109.8	V336 R379 I380 L423 R707	V336-D382 WeakPolarHBondContact CG2-O 3.04Å; V336-D382 PolarHBondContact N-O 2.89Å; R379-D382 WeakPolarHBondContact CA-OD2 3.31Å; R379-D382 WeakPolarHBondContact CB-OD2 3.43Å; R379-D382 PolarHBondContact N-OD2 3.21Å; R379-D382 VanDerWaalsContact O-CB 3.31Å; R379-D382 WeakPolarHBondContact O-CB 3.36Å; R379-D382 PolarHBondContact O-N 3.28Å; R379-D382 VanDerWaalsContact O-N 3.16Å; I380-D382 VanDerWaalsContact C-N 3.26Å; I380-D382 PolarHBondContact O-N 3.45Å; D382-L423 HydrophobicContact CB-CD1 3.74Å; D382-R707 IonicContact OD1-NH2 2.81Å; D382-R707 PolarHBondContact OD1-NH2 3.02Å; D382-R707 VanDerWaalsContact OD1-NH2 3.15Å
383	I	95	Very high	86.6	Confident	31 Å²	31	35.5 Å²	35.5	16%	0.159	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	135.5	174.2	-61.2	173.6	0	0	0	107	R333 G334 N424 P425	R333-I383 HydrophobicContact CG-CG2 4.1Å; G334-I383 CarbonylContact O-C 3.22Å; G334-I383 WeakPolarHBondContact O-CA 3.33Å; I383-N424 PolarHBondContact N-OD1 3.46Å; I383-N424 VanDerWaalsContact O-CA 3.24Å; I383-N424 WeakPolarHBondContact O-CA 3.44Å; I383-N424 PolarHBondContact O-N 2.91Å; I383-P425 HydrophobicContact CG2-CG 4.1Å; I383-P425 WeakPolarHBondContact O-CD 3.5Å
384	I	95.3	Very high	84.6	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	147.1	178.5	61.6	163.8	0	0	0	111.3	R333 G334 V336 V350 I378 I386 I421 C422 L423	R333-I384 WeakPolarHBondContact CA-O 3.47Å; G334-I384 PolarHBondContact N-O 2.89Å; G334-I384 PolarHBondContact O-N 2.92Å; V336-I384 HydrophobicContact CG2-CD1 4.28Å; V336-I384 HydrophobicContact CG2-CG1 4.34Å; V336-I384 HydrophobicContact CG2-CG2 3.93Å; V350-I384 HydrophobicContact CB-CD1 4.42Å; V350-I384 HydrophobicContact CG1-CD1 3.94Å; V350-I384 HydrophobicContact CG1-CG1 4.06Å; V350-I384 HydrophobicContact CG2-CD1 3.58Å; I378-I384 HydrophobicContact CD1-CG2 4.03Å; I384-I386 HydrophobicContact CD1-CG1 4.19Å; I384-I421 HydrophobicContact CB-CD1 4.16Å; I384-I421 HydrophobicContact CB-CG1 4.1Å; I384-I421 HydrophobicContact CD1-CD1 3.68Å; I384-I421 HydrophobicContact CD1-CG1 4.29Å; I384-I421 HydrophobicContact CG2-CD1 4.05Å; I384-I421 HydrophobicContact CG2-CG1 4.28Å; I384-C422 WeakPolarHBondContact CA-O 3.46Å; I384-L423 HydrophobicContact CG2-CD1 3.85Å
385	N	93.3	Very high	82.8	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	125.7	161.6	-71.5	-11.9	0	0	0	108.9	F331 L332 R333 I387 I421 C422 P425 N579 R580	F331-N385 HydrophobicContact CD2-CB 3.86Å; F331-N385 VanDerWaalsContact CD2-CG 3.43Å; F331-N385 HydrophobicContact CE2-CB 4.47Å; F331-N385 WeakPolarHBondContact CE2-ND2 3.26Å; F331-N385 WeakPolarHBondContact CE2-OD1 3.44Å; L332-N385 CarbonylContact O-C 3.59Å; L332-N385 WeakPolarHBondContact O-CA 3.47Å; R333-N385 WeakPolarHBondContact CB-OD1 3.22Å; R333-N385 WeakPolarHBondContact CD-OD1 3.46Å; R333-N385 WeakPolarHBondContact CG-OD1 3.45Å; N385-I387 HydrophobicContact CB-CG1 4.24Å; N385-I421 WeakPolarHBondContact O-CA 3.42Å; N385-C422 HydrophobicContact CB-CB 4.24Å; N385-C422 PolarHBondContact N-O 2.92Å; N385-C422 PolarHBondContact O-N 3.28Å; N385-P425 HydrophobicContact CB-CG 4.48Å; N385-P425 WeakPolarHBondContact ND2-CB 3.38Å; N385-N579 PolarHBondContact ND2-O 2.69Å; N385-R580 WeakPolarHBondContact ND2-CA 3.14Å; N385-R580 PolarHBondContact ND2-O 3.1Å
386	I	89.6	Confident	80.9	Confident	1 Å²	1	49 Å²	49	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	116.5	170.1	-55.3	163.7	0	0	0	106.6	F331 L332 M365 V367 I384 P388 V404	F331-I386 CarbonylContact C-O 3.53Å; F331-I386 VanDerWaalsContact CA-O 3.25Å; F331-I386 WeakPolarHBondContact CA-O 3.49Å; F331-I386 WeakPolarHBondContact CB-O 3.32Å; L332-I386 HydrophobicContact CB-CB 4.28Å; L332-I386 HydrophobicContact CB-CD1 4.38Å; L332-I386 PolarHBondContact N-O 3.14Å; L332-I386 PolarHBondContact O-N 3.01Å; M365-I386 HydrophobicContact CE-CD1 4.18Å; M365-I386 HydrophobicContact SD-CD1 3.71Å; V367-I386 HydrophobicContact CG2-CD1 3.51Å; V367-I386 HydrophobicContact CG2-CG1 4.22Å; I384-I386 HydrophobicContact CD1-CG1 4.19Å; I386-P388 WeakPolarHBondContact O-CD 3.36Å; I386-V404 HydrophobicContact CG2-CG1 4.24Å
387	I	88	Confident	78.9	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	104.3	-171	-52.4	178.5	0	0	0	107.6	F331 N385 N389 V390 T419 A420 C422 R580 L581	F331-I387 HydrophobicContact CB-CG1 4.26Å; N385-I387 HydrophobicContact CB-CG1 4.24Å; I387-N389 VanDerWaalsContact C-N 3.26Å; I387-N389 WeakPolarHBondContact CG2-O 3.5Å; I387-N389 PolarHBondContact O-N 2.87Å; I387-V390 HydrophobicContact CG2-CG2 4.46Å; I387-T419 CarbonylContact O-C 3.5Å; I387-T419 WeakPolarHBondContact O-CA 3.41Å; I387-A420 PolarHBondContact N-O 3.23Å; I387-A420 PolarHBondContact O-N 3.43Å; I387-C422 HydrophobicContact CD1-CB 3.9Å; I387-R580 HydrophobicContact CD1-CG 4.23Å; I387-R580 VanDerWaalsContact CD1-O 3.3Å; I387-R580 WeakPolarHBondContact CD1-O 3.49Å; I387-R580 HydrophobicContact CG1-CG 4.48Å; I387-L581 HydrophobicContact CD1-CD2 3.78Å
388	P	80.2	Confident	77	Confident	43 Å²	43	51.6 Å²	51.6	28%	0.279	26%	0.26	S	S	.	.	S	Bend	trans	-64.5	-31.4	-177.1	-22.9	34.6	0	0	0	113.3	S330 I386 V398 T419	S330-P388 WeakPolarHBondContact O-CD 3.33Å; I386-P388 WeakPolarHBondContact O-CD 3.36Å; P388-V398 HydrophobicContact CB-CG2 4.23Å; P388-V398 HydrophobicContact CG-CG2 3.56Å; P388-T419 PolarHBondContact O-OG1 3.35Å
389	N	80.6	Confident	75.1	Confident	8 Å²	8	57.3 Å²	57.3	4%	0.043	29%	0.285	C	S	.	.			trans	-140.8	114.6	174.6	-179.7	-3.3	0	0	0	109.2	I387 Y391 G392 D393 C418 R580	I387-N389 VanDerWaalsContact C-N 3.26Å; I387-N389 WeakPolarHBondContact CG2-O 3.5Å; I387-N389 PolarHBondContact O-N 2.87Å; N389-Y391 VanDerWaalsContact C-N 3.27Å; N389-Y391 PolarHBondContact O-N 3.01Å; N389-Y391 PolarHBondContact OD1-N 3.48Å; N389-G392 PolarHBondContact O-N 2.95Å; N389-G392 PolarHBondContact OD1-N 3.46Å; N389-D393 WeakPolarHBondContact ND2-CB 3.17Å; N389-D393 PolarHBondContact ND2-N 2.85Å; N389-C418 CarbonylContact C-O 3.57Å; N389-C418 VanDerWaalsContact CA-O 3.26Å; N389-C418 WeakPolarHBondContact CA-O 3.47Å; N389-R580 PolarHBondContact O-NH2 3.17Å
390	V	75.2	Confident	73.3	Confident	2 Å²	2	59 Å²	59	1%	0.012	30%	0.298	C	S	.	.	S	Bend	trans	-62	-34.5	179.1	176	0	0	0	0	112.7	I387 C418 A420 L581 M632 F688 I692	I387-V390 HydrophobicContact CG2-CG2 4.46Å; V390-C418 HydrophobicContact CB-CB 4.23Å; V390-C418 HydrophobicContact CG2-CB 4.25Å; V390-C418 WeakPolarHBondContact CG2-O 3.38Å; V390-C418 PolarHBondContact N-O 2.83Å; V390-A420 HydrophobicContact CG2-CB 3.21Å; V390-L581 HydrophobicContact CG1-CD2 4.32Å; V390-M632 HydrophobicContact CG1-CE 3.13Å; V390-M632 HydrophobicContact CG1-CG 4.43Å; V390-M632 HydrophobicContact CG1-SD 3.87Å; V390-F688 HydrophobicContact CG1-CB 4.02Å; V390-I692 HydrophobicContact CG1-CG1 4.21Å
391	Y	77.3	Confident	71.3	Confident	25 Å²	25	61.6 Å²	61.6	10%	0.098	31%	0.313	C	S	.	.	S	Bend	trans	-80.5	-26.7	-176.5	-172.4	-117	0	0	0	113	N389 L631 R635 A653 N654 P683 F688	N389-Y391 VanDerWaalsContact C-N 3.27Å; N389-Y391 PolarHBondContact O-N 3.01Å; N389-Y391 PolarHBondContact OD1-N 3.48Å; Y391-L631 HydrophobicContact CE2-CB 4.4Å; Y391-R635 HydrophobicContact CE1-CG 4.33Å; Y391-R635 HydrophobicContact CE2-CB 4.43Å; Y391-R635 HydrophobicContact CE2-CG 4.37Å; Y391-R635 WeakPolarHBondContact O-CG 3.43Å; Y391-A653 PolarHBondContact OH-O 3.43Å; Y391-N654 PolarHBondContact OH-N 2.92Å; Y391-P683 HydrophobicContact CD2-CB 4.32Å; Y391-P683 HydrophobicContact CE1-CG 4.4Å; Y391-P683 HydrophobicContact CE2-CB 3.94Å; Y391-P683 HydrophobicContact CE2-CG 3.69Å; Y391-P683 WeakPolarHBondContact OH-CG 3.48Å; Y391-F688 AromaticContact CD2-CE2 3.54Å; Y391-F688 HydrophobicContact CD2-CE2 3.54Å; Y391-F688 AromaticContact CD2-CZ 3.86Å; Y391-F688 HydrophobicContact CD2-CZ 3.86Å; Y391-F688 HydrophobicContact CE2-CE2 4.27Å; Y391-F688 HydrophobicContact CE2-CZ 4.23Å; Y391-F688 HydrophobicContact CG-CE2 4.14Å
392	G	65.9	Low	70	Confident	23 Å²	23	55.6 Å²	55.6	24%	0.237	29%	0.292	C	S	.	.			trans	102.8	20.8	168.2	0	0	0	0	0	117.8	N389	N389-G392 PolarHBondContact O-N 2.95Å; N389-G392 PolarHBondContact OD1-N 3.46Å
393	D	58.3	Low	69.2	Low	61 Å²	61	59.1 Å²	59.1	33%	0.326	31%	0.314	S	S	.	.			trans	-69.6	133.8	170.2	-68	-31.3	0	0	0	111.4	N389 K395 R635	N389-D393 WeakPolarHBondContact ND2-CB 3.17Å; N389-D393 PolarHBondContact ND2-N 2.85Å; D393-K395 PolarHBondContact O-N 2.97Å; D393-R635 IonicContact OD1-CZ 3.23Å; D393-R635 IonicContact OD1-NE 3.07Å; D393-R635 IonicContact OD1-NH2 2.96Å; D393-R635 PolarHBondContact OD1-NH2 3.04Å
394	K	49.4	Very low	68.6	Low	205 Å²	205	58.6 Å²	58.6	89%	0.891	31%	0.312	S	S	*	.			trans	-60.6	118.4	177.7	-72.1	-174.2	175.9	-173.1	0	110.2
395	K	49.5	Very low	68	Low	100 Å²	100	62.3 Å²	62.3	44%	0.435	33%	0.331	S	S	.	.			trans	-143	166.2	168.6	-84.8	-176.1	-179.3	154.1	0	111	D393 D417	D393-K395 PolarHBondContact O-N 2.97Å; K395-D417 IonicContact NZ-OD1 2.83Å; K395-D417 PolarHBondContact NZ-OD1 3.41Å; K395-D417 IonicContact NZ-OD2 2.67Å; K395-D417 PolarHBondContact NZ-OD2 2.84Å
396	N	46.8	Very low	67.7	Low	144 Å²	144	62.3 Å²	62.3	77%	0.77	33%	0.331	S	S	*	.			trans	-43.5	136.8	-170.9	-67.9	-7.4	0	0	0	113.4	V398	N396-V398 PolarHBondContact O-N 2.84Å
397	P	49.9	Very low	67.5	Low	71 Å²	71	63.5 Å²	63.5	46%	0.461	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-55.3	137.4	176.1	23.5	-32.9	0	0	0	110.2	H399	P397-H399 PolarHBondContact O-N 3.39Å
398	V	52.1	Low	67.3	Low	35 Å²	35	65.7 Å²	65.7	21%	0.212	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-66.3	118.6	168.6	177.3	0	0	0	0	107.2	L332 M365 P388 N396 V404	L332-V398 HydrophobicContact CD1-CB 3.69Å; L332-V398 HydrophobicContact CD1-CG1 3.6Å; L332-V398 HydrophobicContact CG-CB 4.38Å; M365-V398 HydrophobicContact CE-CG1 3.58Å; P388-V398 HydrophobicContact CB-CG2 4.23Å; P388-V398 HydrophobicContact CG-CG2 3.56Å; N396-V398 PolarHBondContact O-N 2.84Å; V398-V404 HydrophobicContact CG1-CG2 3.74Å
399	H	54.4	Low	66.7	Low	138 Å²	138	68.7 Å²	68.7	64%	0.639	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-69.2	135.7	-179.6	-64.8	-64.1	0	0	0	110.9	P397 N401 S402	P397-H399 PolarHBondContact O-N 3.39Å; H399-N401 PolarHBondContact O-N 3.28Å; H399-S402 PolarHBondContact O-N 3.44Å; H399-S402 VanDerWaalsContact O-N 3.14Å; H399-S402 PolarHBondContact O-OG 3.19Å
400	N	54.8	Low	65.6	Low	81 Å²	81	70.9 Å²	70.9	43%	0.433	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-13.2	-175.2	-73.9	-10.5	0	0	0	115.6	T363	T363-N400 HydrophobicContact CG2-CB 4.09Å
401	N	53.1	Low	64.2	Low	153 Å²	153	77.9 Å²	77.9	82%	0.818	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	6.3	-177	-71.1	-6.8	0	0	0	114.7	H399	H399-N401 PolarHBondContact O-N 3.28Å
402	S	66.5	Low	62.5	Low	44 Å²	44	81.4 Å²	81.4	31%	0.308	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-94.8	140.1	-178.5	57.3	0	0	0	0	113.5	H399 V404	H399-S402 PolarHBondContact O-N 3.44Å; H399-S402 VanDerWaalsContact O-N 3.14Å; H399-S402 PolarHBondContact O-OG 3.19Å; S402-V404 PolarHBondContact O-N 2.57Å
403	T	77.3	Confident	61.2	Low	76 Å²	76	91.7 Å²	91.7	47%	0.466	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-67.4	124.7	159.8	-56.3	0	0	0	0	108.9	N366 I368	N366-T403 HydrophobicContact CB-CG2 4.09Å; N366-T403 CarbonylContact O-C 3.48Å; N366-T403 VanDerWaalsContact O-CA 3.29Å; N366-T403 WeakPolarHBondContact O-CA 3.13Å; I368-T403 HydrophobicContact CD1-CG2 3.57Å; I368-T403 HydrophobicContact CG1-CG2 3.86Å
404	V	82	Confident	60.6	Low	20 Å²	20	93.6 Å²	93.6	12%	0.121	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	128.6	175.1	166.3	0	0	0	0	109.8	M365 N366 V367 I368 I386 V398 S402 I406 T419	M365-V404 HydrophobicContact CE-CB 3.68Å; M365-V404 HydrophobicContact CE-CG2 3.09Å; N366-V404 PolarHBondContact O-N 3.47Å; V367-V404 CarbonylContact C-O 3.6Å; V367-V404 WeakPolarHBondContact CA-O 3.33Å; I368-V404 PolarHBondContact N-O 2.89Å; I386-V404 HydrophobicContact CG2-CG1 4.24Å; V398-V404 HydrophobicContact CG1-CG2 3.74Å; S402-V404 PolarHBondContact O-N 2.57Å; V404-I406 HydrophobicContact CG1-CG1 4.06Å; V404-T419 HydrophobicContact CG1-CG2 4.5Å
405	I	83.3	Confident	60.4	Low	79 Å²	79	90.7 Å²	90.7	41%	0.405	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	127	175	-55	176.9	0	0	0	107.8	I368 R370	I368-I405 HydrophobicContact CB-CG1 4.25Å; I368-I405 HydrophobicContact CD1-CG1 4.34Å; I368-I405 CarbonylContact O-C 3.56Å; I368-I405 WeakPolarHBondContact O-CA 3.41Å; R370-I405 HydrophobicContact CG-CG2 4.45Å
406	I	87.9	Confident	60.5	Low	0 Å²	0	91.6 Å²	91.6	0%	0	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	108.6	174.5	-50.4	-175.9	0	0	0	106.5	V367 I368 L369 R370 W373 V404 T419 I421	V367-I406 HydrophobicContact CG1-CD1 3.79Å; V367-I406 HydrophobicContact CG1-CG1 4.13Å; I368-I406 PolarHBondContact O-N 2.89Å; L369-I406 WeakPolarHBondContact CA-O 3.39Å; L369-I406 HydrophobicContact CD2-CB 3.87Å; L369-I406 HydrophobicContact CD2-CD1 3.9Å; L369-I406 HydrophobicContact CD2-CG1 4.19Å; L369-I406 HydrophobicContact CD2-CG2 4.47Å; R370-I406 PolarHBondContact N-O 3.3Å; W373-I406 HydrophobicContact CD2-CG2 3.91Å; W373-I406 HydrophobicContact CG-CG2 3.84Å; W373-I406 HydrophobicContact CZ2-CG2 4.49Å; V404-I406 HydrophobicContact CG1-CG1 4.06Å; I406-T419 HydrophobicContact CD1-CG2 4.33Å; I406-T419 HydrophobicContact CG1-CG2 3.89Å; I406-T419 HydrophobicContact CG2-CG2 4.44Å; I406-I421 HydrophobicContact CD1-CB 3.86Å; I406-I421 HydrophobicContact CD1-CG2 4.49Å
407	S	85.6	Confident	61.2	Low	26 Å²	26	86 Å²	86	18%	0.182	45%	0.453	C	S	.	.			trans	-134.1	170.2	-174.3	49.8	0	0	0	0	110.1	D371 D409	D371-S407 WeakPolarHBondContact OD2-CB 3.33Å; S407-D409 VanDerWaalsContact C-N 3.29Å; S407-D409 PolarHBondContact OG-O 2.87Å
408	D	82.2	Confident	62.2	Low	46 Å²	46	82.8 Å²	82.8	25%	0.246	43%	0.433	C	S	.	.	S	Bend	trans	-74.9	-27.8	168.7	-69.9	-19	0	0	0	111.4	D371 S372 N410 R689	D371-D408 HydrophobicContact CB-CB 3.68Å; D371-D408 VanDerWaalsContact CB-CG 3.43Å; D371-D408 VanDerWaalsContact CB-OD2 3.23Å; D371-D408 WeakPolarHBondContact CB-OD2 3.43Å; D371-D408 PolarHBondContact OD2-N 2.93Å; S372-D408 WeakPolarHBondContact CB-OD2 3.21Å; S372-D408 PolarHBondContact N-OD2 3.49Å; S372-D408 PolarHBondContact OG-OD1 3.12Å; S372-D408 PolarHBondContact OG-OD2 3.04Å; D408-N410 PolarHBondContact O-N 3.3Å; D408-N410 VanDerWaalsContact O-N 3.13Å; D408-R689 PolarHBondContact O-NH1 2.91Å; D408-R689 VanDerWaalsContact OD1-CD 3.28Å; D408-R689 WeakPolarHBondContact OD1-CD 3.46Å; D408-R689 IonicContact OD1-CZ 3.7Å; D408-R689 IonicContact OD1-NE 3.96Å; D408-R689 PolarHBondContact OD1-NE 2.86Å; D408-R689 IonicContact OD1-NH1 3.07Å; D408-R689 PolarHBondContact OD1-NH1 3.49Å
409	D	69.1	Low	63.7	Low	105 Å²	105	83 Å²	83	56%	0.561	44%	0.435	S	S	*	.			trans	-69.8	100.9	175.5	-80.2	-18.1	0	0	0	111.6	S407 N411	S407-D409 VanDerWaalsContact C-N 3.29Å; S407-D409 PolarHBondContact OG-O 2.87Å; D409-N411 VanDerWaalsContact C-N 3.31Å; D409-N411 PolarHBondContact O-N 3.04Å; D409-N411 VanDerWaalsContact O-N 3.11Å
410	N	57.6	Low	65.3	Low	54 Å²	54	76.5 Å²	76.5	29%	0.289	40%	0.404	S	S	.	.			trans	-76.8	83.7	159.6	-71.9	-16.2	0	0	0	108.3	D408 N412 D417	D408-N410 PolarHBondContact O-N 3.3Å; D408-N410 VanDerWaalsContact O-N 3.13Å; N410-N412 CarbonylContact O-C 3.51Å; N410-N412 PolarHBondContact O-N 2.89Å; N410-D417 PolarHBondContact ND2-O 3.03Å; N410-D417 PolarHBondContact OD1-O 3.42Å
411	N	44.4	Very low	67.1	Low	149 Å²	149	72.6 Å²	72.6	80%	0.797	38%	0.384	S	S	*	.	S	Bend	trans	-60.9	5.7	177.2	-96.1	-24.7	0	0	0	114.9	D409	D409-N411 VanDerWaalsContact C-N 3.31Å; D409-N411 PolarHBondContact O-N 3.04Å; D409-N411 VanDerWaalsContact O-N 3.11Å
412	N	42.9	Very low	69.1	Low	99 Å²	99	65.3 Å²	65.3	53%	0.529	35%	0.345	S	S	.	.			trans	-111.2	76	164.3	-75.2	-34.6	0	0	0	110.3	N410 A414 R415	N410-N412 CarbonylContact O-C 3.51Å; N410-N412 PolarHBondContact O-N 2.89Å; N412-A414 PolarHBondContact O-N 3.37Å; N412-R415 HydrophobicContact CB-CB 4.28Å; N412-R415 PolarHBondContact O-N 2.91Å; N412-R415 VanDerWaalsContact O-O 3.09Å
413	R	38.4	Very low	70.5	Confident	239 Å²	239	63.3 Å²	63.3	90%	0.902	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-17.8	173.5	-71.3	-177.5	-180	175.4	-0.5	114.1
414	A	45.4	Very low	71.4	Confident	101 Å²	101	60.4 Å²	60.4	84%	0.835	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-4	176.2	0	0	0	0	0	114.8	N412	N412-A414 PolarHBondContact O-N 3.37Å
415	R	45.6	Very low	72	Confident	145 Å²	145	59.5 Å²	59.5	55%	0.547	31%	0.306	S	S	.	.	S	Bend	trans	-140.4	121.9	-173.4	-71.7	174.6	175.1	-172.2	3.3	110.6	N412 D417	N412-R415 HydrophobicContact CB-CB 4.28Å; N412-R415 PolarHBondContact O-N 2.91Å; N412-R415 VanDerWaalsContact O-O 3.09Å; R415-D417 PolarHBondContact O-N 3.22Å
416	N	50.8	Low	72.6	Confident	118 Å²	118	56.4 Å²	56.4	63%	0.631	29%	0.291	S	S	*	.			trans	-64	42.1	177.1	-80.4	-14.2	0	0	0	115.2	I685	N416-I685 HydrophobicContact CB-CD1 3.81Å
417	D	62.4	Low	72.9	Confident	26 Å²	26	57.5 Å²	57.5	14%	0.139	30%	0.295	C	S	.	.			trans	-90.8	119.5	-176.1	-62.7	-29.8	0	0	0	110.3	K395 N410 R415	K395-D417 IonicContact NZ-OD1 2.83Å; K395-D417 PolarHBondContact NZ-OD1 3.41Å; K395-D417 IonicContact NZ-OD2 2.67Å; K395-D417 PolarHBondContact NZ-OD2 2.84Å; N410-D417 PolarHBondContact ND2-O 3.03Å; N410-D417 PolarHBondContact OD1-O 3.42Å; R415-D417 PolarHBondContact O-N 3.22Å
418	C	71	Confident	73.3	Confident	5 Å²	5	56.7 Å²	56.7	3%	0.034	29%	0.289	C	S	.	.			trans	-107.8	105.5	171.9	-174.8	0	0	0	0	109.4	N389 V390 I685	N389-C418 CarbonylContact C-O 3.57Å; N389-C418 VanDerWaalsContact CA-O 3.26Å; N389-C418 WeakPolarHBondContact CA-O 3.47Å; V390-C418 HydrophobicContact CB-CB 4.23Å; V390-C418 HydrophobicContact CG2-CB 4.25Å; V390-C418 WeakPolarHBondContact CG2-O 3.38Å; V390-C418 PolarHBondContact N-O 2.83Å; C418-I685 HydrophobicContact CB-CG2 3.68Å
419	T	82.1	Confident	73.9	Confident	40 Å²	40	54.7 Å²	54.7	25%	0.245	28%	0.278	C	S	.	.			trans	-76.7	138.3	169.9	-52.2	0	0	0	0	109.3	I387 P388 V404 I406	I387-T419 CarbonylContact O-C 3.5Å; I387-T419 WeakPolarHBondContact O-CA 3.41Å; P388-T419 PolarHBondContact O-OG1 3.35Å; V404-T419 HydrophobicContact CG1-CG2 4.5Å; I406-T419 HydrophobicContact CD1-CG2 4.33Å; I406-T419 HydrophobicContact CG1-CG2 3.89Å; I406-T419 HydrophobicContact CG2-CG2 4.44Å
420	A	89.1	Confident	75.2	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	163	178.4	0	0	0	0	0	112.6	W373 I387 V390 I692	W373-A420 HydrophobicContact CH2-CB 3.52Å; W373-A420 HydrophobicContact CZ2-CB 3.64Å; I387-A420 PolarHBondContact N-O 3.23Å; I387-A420 PolarHBondContact O-N 3.43Å; V390-A420 HydrophobicContact CG2-CB 3.21Å; A420-I692 HydrophobicContact CB-CG2 4.33Å
421	I	93.2	Very high	77	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	130.7	169.5	-171.6	170.2	0	0	0	109.6	L348 L369 W373 I378 I384 N385 I406 N696	L348-I421 HydrophobicContact CD1-CD1 4.12Å; L369-I421 HydrophobicContact CD2-CD1 4.29Å; L369-I421 HydrophobicContact CD2-CG2 4.12Å; W373-I421 HydrophobicContact CD2-CG2 4.48Å; W373-I421 HydrophobicContact CE3-CG2 3.54Å; W373-I421 HydrophobicContact CZ3-CG2 3.58Å; I378-I421 HydrophobicContact CD1-CD1 4.04Å; I384-I421 HydrophobicContact CB-CD1 4.16Å; I384-I421 HydrophobicContact CB-CG1 4.1Å; I384-I421 HydrophobicContact CD1-CD1 3.68Å; I384-I421 HydrophobicContact CD1-CG1 4.29Å; I384-I421 HydrophobicContact CG2-CD1 4.05Å; I384-I421 HydrophobicContact CG2-CG1 4.28Å; N385-I421 WeakPolarHBondContact O-CA 3.42Å; I406-I421 HydrophobicContact CD1-CB 3.86Å; I406-I421 HydrophobicContact CD1-CG2 4.49Å; I421-N696 PolarHBondContact O-ND2 2.84Å
422	C	95	Very high	79.2	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	118.7	171.8	177	0	0	0	0	109.8	I384 N385 I387 L581 R695	I384-C422 WeakPolarHBondContact CA-O 3.46Å; N385-C422 HydrophobicContact CB-CB 4.24Å; N385-C422 PolarHBondContact N-O 2.92Å; N385-C422 PolarHBondContact O-N 3.28Å; I387-C422 HydrophobicContact CD1-CB 3.9Å; C422-L581 PolarHBondContact SG-O 3.02Å; C422-R695 VanDerWaalsContact SG-CZ 3.51Å; C422-R695 PolarHBondContact SG-NH1 2.89Å
423	L	96.1	Very high	81.6	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	120.9	-172.5	-178.2	68.6	0	0	0	112.2	P377 I378 D382 I384 R695 N696 V699	P377-L423 WeakPolarHBondContact O-CD2 3.31Å; I378-L423 HydrophobicContact CB-CD1 4.34Å; I378-L423 HydrophobicContact CD1-CD1 4.35Å; I378-L423 HydrophobicContact CG1-CD1 3.86Å; D382-L423 HydrophobicContact CB-CD1 3.74Å; I384-L423 HydrophobicContact CG2-CD1 3.85Å; L423-R695 PolarHBondContact O-NH1 3.49Å; L423-N696 HydrophobicContact CB-CB 4.16Å; L423-N696 PolarHBondContact N-OD1 3.03Å; L423-V699 WeakPolarHBondContact O-CG1 3.38Å
424	N	96.5	Very high	84.4	Confident	16 Å²	16	32.2 Å²	32.2	9%	0.086	18%	0.177	C	C	.	.	S	Bend	trans	52.5	66	-174.1	-60	-66.5	0	0	0	111.8	I383 D426 Y427 R695 V699 I703	I383-N424 PolarHBondContact N-OD1 3.46Å; I383-N424 VanDerWaalsContact O-CA 3.24Å; I383-N424 WeakPolarHBondContact O-CA 3.44Å; I383-N424 PolarHBondContact O-N 2.91Å; N424-D426 PolarHBondContact O-N 3.08Å; N424-D426 VanDerWaalsContact O-N 3.15Å; N424-Y427 HydrophobicContact CB-CD2 3.79Å; N424-Y427 HydrophobicContact CB-CE2 4.15Å; N424-Y427 PolarHBondContact O-N 3.49Å; N424-R695 PolarHBondContact O-NH2 2.93Å; N424-V699 HydrophobicContact CB-CG1 3.94Å; N424-I703 HydrophobicContact CB-CD1 4.07Å; N424-I703 WeakPolarHBondContact ND2-CD1 3.33Å
425	P	94.6	Very high	86.7	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-22.9	-176.2	22.5	-34.7	0	0	0	114.6	I383 N385 Y427 N579 G582	I383-P425 HydrophobicContact CG2-CG 4.1Å; I383-P425 WeakPolarHBondContact O-CD 3.5Å; N385-P425 HydrophobicContact CB-CG 4.48Å; N385-P425 WeakPolarHBondContact ND2-CB 3.38Å; P425-Y427 PolarHBondContact O-N 3.11Å; P425-N579 WeakPolarHBondContact CB-O 3.13Å; P425-G582 VanDerWaalsContact O-CA 3.23Å; P425-G582 WeakPolarHBondContact O-CA 2.77Å
426	D	94.4	Very high	88.8	Confident	14 Å²	14	21.5 Å²	21.5	8%	0.075	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-19.4	179.8	-60.4	-31	0	0	0	113	R333 N424 L428 N579 E802 I805 G806	R333-D426 IonicContact CZ-OD1 3.63Å; R333-D426 IonicContact CZ-OD2 3.67Å; R333-D426 IonicContact NH1-OD1 2.73Å; R333-D426 PolarHBondContact NH1-OD1 2.55Å; R333-D426 IonicContact NH1-OD2 2.87Å; R333-D426 VanDerWaalsContact NH2-CG 3.32Å; R333-D426 IonicContact NH2-OD1 3.73Å; R333-D426 PolarHBondContact NH2-OD1 3.37Å; R333-D426 VanDerWaalsContact NH2-OD1 3.14Å; R333-D426 IonicContact NH2-OD2 2.95Å; R333-D426 PolarHBondContact NH2-OD2 3.01Å; N424-D426 PolarHBondContact O-N 3.08Å; N424-D426 VanDerWaalsContact O-N 3.15Å; D426-L428 PolarHBondContact O-N 2.81Å; D426-L428 VanDerWaalsContact O-N 3.11Å; D426-N579 PolarHBondContact OD1-ND2 3.1Å; D426-E802 HydrophobicContact CB-CB 4.32Å; D426-E802 WeakPolarHBondContact CB-O 3.5Å; D426-E802 WeakPolarHBondContact O-CA 3.34Å; D426-E802 WeakPolarHBondContact O-CB 3.47Å; D426-I805 HydrophobicContact CB-CG2 4.45Å; D426-G806 VanDerWaalsContact CG-CA 3.44Å; D426-G806 WeakPolarHBondContact OD1-CA 3.02Å; D426-G806 WeakPolarHBondContact OD2-CA 3.18Å
427	Y	94.9	Very high	90.8	Very high	24 Å²	24	16.2 Å²	16.2	9%	0.094	9%	0.09	C	C	.	.	S	Bend	trans	-77.5	90.6	166.5	-69.9	-98.1	0	0	0	109.5	N424 P425 L429 G582 R695 V699 I702 I703 R800 E802	N424-Y427 HydrophobicContact CB-CD2 3.79Å; N424-Y427 HydrophobicContact CB-CE2 4.15Å; N424-Y427 PolarHBondContact O-N 3.49Å; P425-Y427 PolarHBondContact O-N 3.11Å; Y427-L429 PolarHBondContact O-N 3.34Å; Y427-L429 VanDerWaalsContact O-N 3.08Å; Y427-G582 VanDerWaalsContact O-O 3.06Å; Y427-R695 PolarHBondContact O-NH2 3.17Å; Y427-V699 HydrophobicContact CG-CG2 4.15Å; Y427-I702 HydrophobicContact CE1-CG2 4.45Å; Y427-I703 HydrophobicContact CE2-CD1 3.95Å; Y427-I703 HydrophobicContact CE2-CG1 4.15Å; Y427-R800 PolarHBondContact OH-NH1 2.75Å; Y427-E802 HydrophobicContact CD1-CB 4.34Å; Y427-E802 HydrophobicContact CD1-CG 4.34Å; Y427-E802 HydrophobicContact CD2-CB 4.33Å; Y427-E802 HydrophobicContact CE1-CB 4.45Å; Y427-E802 HydrophobicContact CE1-CG 3.95Å; Y427-E802 WeakPolarHBondContact CE1-OE1 3.25Å; Y427-E802 HydrophobicContact CE2-CB 4.44Å; Y427-E802 HydrophobicContact CE2-CG 4.19Å; Y427-E802 HydrophobicContact CG-CB 4.29Å
428	L	94.4	Very high	92.1	Very high	9 Å²	9	18.5 Å²	18.5	5%	0.047	10%	0.102	C	C	.	.			trans	-75.1	96.4	175.8	-54.7	179.1	0	0	0	110.6	D426 W577 S578 K584 F801 I805	D426-L428 PolarHBondContact O-N 2.81Å; D426-L428 VanDerWaalsContact O-N 3.11Å; L428-W577 HydrophobicContact CD1-CB 4.05Å; L428-W577 HydrophobicContact CD1-CD2 4.13Å; L428-W577 HydrophobicContact CD1-CE3 3.76Å; L428-W577 HydrophobicContact CD1-CG 4.26Å; L428-S578 VanDerWaalsContact CD2-O 3.3Å; L428-S578 WeakPolarHBondContact CD2-O 3.31Å; L428-K584 HydrophobicContact CB-CB 4.32Å; L428-K584 HydrophobicContact CB-CD 4.31Å; L428-K584 HydrophobicContact CB-CG 4.36Å; L428-K584 WeakPolarHBondContact O-CE 2.95Å; L428-F801 HydrophobicContact CB-CE1 4.12Å; L428-F801 HydrophobicContact CD1-CE1 4.06Å; L428-F801 HydrophobicContact CD1-CZ 4.06Å; L428-F801 HydrophobicContact CG-CE1 4.33Å; L428-I805 HydrophobicContact CD1-CD1 3.79Å; L428-I805 HydrophobicContact CD1-CG1 3.84Å; L428-I805 HydrophobicContact CD1-CG2 4.11Å; L428-I805 HydrophobicContact CD2-CG2 4.42Å; L428-I805 HydrophobicContact CG-CG1 4.3Å; L428-I805 HydrophobicContact CG-CG2 4.17Å
429	L	95.1	Very high	92.9	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.016	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	135.2	-179.5	-61.3	-177.6	0	0	0	111.3	Y427 T431 V434 G582 L583 K584 R695 L698 V699 I702	Y427-L429 PolarHBondContact O-N 3.34Å; Y427-L429 VanDerWaalsContact O-N 3.08Å; L429-T431 PolarHBondContact O-N 2.93Å; L429-V434 HydrophobicContact CB-CG2 3.86Å; L429-V434 HydrophobicContact CD1-CG2 4.2Å; L429-G582 PolarHBondContact N-O 3.36Å; L429-G582 VanDerWaalsContact N-O 3.13Å; L429-L583 WeakPolarHBondContact O-CA 3.45Å; L429-K584 PolarHBondContact O-N 2.95Å; L429-R695 HydrophobicContact CD1-CG 3.8Å; L429-L698 HydrophobicContact CD1-CB 4.1Å; L429-L698 HydrophobicContact CD1-CD2 3.7Å; L429-L698 HydrophobicContact CD1-CG 3.86Å; L429-V699 HydrophobicContact CD1-CB 4.4Å; L429-V699 HydrophobicContact CD1-CG2 3.53Å; L429-V699 HydrophobicContact CD2-CG2 3.95Å; L429-V699 HydrophobicContact CG-CG2 3.81Å; L429-I702 HydrophobicContact CD2-CD1 3.98Å
430	P	94.4	Very high	93.4	Very high	38 Å²	38	20.4 Å²	20.4	25%	0.247	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	134.7	170.5	-18.7	28.9	0	0	0	111.4	T432 K433 V434 K584	P430-T432 PolarHBondContact O-N 3.39Å; P430-K433 HydrophobicContact CB-CB 4.23Å; P430-K433 HydrophobicContact CB-CG 3.99Å; P430-K433 HydrophobicContact CG-CB 4.38Å; P430-K433 HydrophobicContact CG-CG 3.94Å; P430-K433 PolarHBondContact O-N 3.45Å; P430-V434 PolarHBondContact O-N 3.44Å; P430-V434 VanDerWaalsContact O-N 3.1Å; P430-K584 WeakPolarHBondContact CA-O 3.33Å
431	T	95.5	Very high	93.6	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.018	12%	0.124	C	C	.	.	H	α-helix	trans	-53.1	-42	176.6	53.8	0	0	0	0	112.2	L429 K433 V434 V435 K584 L629 Y630 L633	L429-T431 PolarHBondContact O-N 2.93Å; T431-K433 VanDerWaalsContact C-N 3.3Å; T431-K433 PolarHBondContact O-N 3.36Å; T431-V434 PolarHBondContact O-N 3.48Å; T431-V435 WeakPolarHBondContact O-CG2 3.47Å; T431-V435 PolarHBondContact O-N 3.32Å; T431-V435 VanDerWaalsContact O-N 3.08Å; T431-K584 PolarHBondContact N-O 2.82Å; T431-L629 HydrophobicContact CG2-CB 3.68Å; T431-L629 HydrophobicContact CG2-CD1 3.87Å; T431-L629 HydrophobicContact CG2-CG 4.39Å; T431-Y630 HydrophobicContact CG2-CD1 4.32Å; T431-Y630 HydrophobicContact CG2-CE1 4.17Å; T431-Y630 WeakPolarHBondContact OG1-CE1 3.42Å; T431-L633 HydrophobicContact CG2-CD1 3.73Å
432	T	92.1	Very high	93.7	Very high	65 Å²	65	23.8 Å²	23.8	40%	0.399	13%	0.128	S	C	.	.	H	α-helix	trans	-60.3	-34.4	176.8	52.8	0	0	0	0	113.5	P430 V435 S436	P430-T432 PolarHBondContact O-N 3.39Å; T432-V435 VanDerWaalsContact O-CG2 3.27Å; T432-V435 WeakPolarHBondContact O-CG2 3.47Å; T432-S436 VanDerWaalsContact O-CB 3.3Å; T432-S436 WeakPolarHBondContact O-CB 3.26Å; T432-S436 PolarHBondContact O-N 3.26Å; T432-S436 VanDerWaalsContact O-N 3.07Å; T432-S436 PolarHBondContact O-OG 2.87Å
433	K	93.7	Very high	93.5	Very high	68 Å²	68	26.1 Å²	26.1	30%	0.296	14%	0.137	S	C	.	.	H	α-helix	trans	-77.7	-35.8	177.2	-67.6	-62	-168.8	-177.2	0	112.1	P430 T431 S436 S437 V444 E447	P430-K433 HydrophobicContact CB-CB 4.23Å; P430-K433 HydrophobicContact CB-CG 3.99Å; P430-K433 HydrophobicContact CG-CB 4.38Å; P430-K433 HydrophobicContact CG-CG 3.94Å; P430-K433 PolarHBondContact O-N 3.45Å; T431-K433 VanDerWaalsContact C-N 3.3Å; T431-K433 PolarHBondContact O-N 3.36Å; K433-S436 PolarHBondContact O-OG 2.91Å; K433-S437 WeakPolarHBondContact O-CB 3.28Å; K433-S437 PolarHBondContact O-N 3.42Å; K433-S437 VanDerWaalsContact O-N 3.13Å; K433-V444 HydrophobicContact CB-CG1 3.96Å; K433-V444 HydrophobicContact CD-CG1 4.17Å; K433-V444 WeakPolarHBondContact O-CG1 3.27Å; K433-E447 IonicContact NZ-OE2 3.3Å; K433-E447 PolarHBondContact NZ-OE2 2.94Å
434	V	95.9	Very high	93.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61	-49.1	174.4	175.1	0	0	0	0	109.8	L429 P430 T431 S437 L583 L629 T694 R695 L698	L429-V434 HydrophobicContact CB-CG2 3.86Å; L429-V434 HydrophobicContact CD1-CG2 4.2Å; P430-V434 PolarHBondContact O-N 3.44Å; P430-V434 VanDerWaalsContact O-N 3.1Å; T431-V434 PolarHBondContact O-N 3.48Å; V434-S437 PolarHBondContact O-N 3.03Å; V434-S437 PolarHBondContact O-OG 2.76Å; V434-L583 HydrophobicContact CG2-CD2 3.8Å; V434-L629 HydrophobicContact CB-CD1 4.13Å; V434-L629 HydrophobicContact CG1-CD1 4.21Å; V434-T694 HydrophobicContact CG1-CG2 4.29Å; V434-R695 HydrophobicContact CG1-CB 3.93Å; V434-R695 HydrophobicContact CG2-CB 4.07Å; V434-R695 HydrophobicContact CG2-CG 3.98Å; V434-L698 HydrophobicContact CG2-CD2 4.5Å
435	V	94.6	Very high	93.3	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.03	13%	0.134	C	C	.	.	H	α-helix	trans	-69.4	-37.9	-179.3	-59.1	0	0	0	0	112.6	T431 T432 S437 L438 E622 G625 L629 L691	T431-V435 WeakPolarHBondContact O-CG2 3.47Å; T431-V435 PolarHBondContact O-N 3.32Å; T431-V435 VanDerWaalsContact O-N 3.08Å; T432-V435 VanDerWaalsContact O-CG2 3.27Å; T432-V435 WeakPolarHBondContact O-CG2 3.47Å; V435-S437 PolarHBondContact O-N 3.34Å; V435-L438 VanDerWaalsContact O-CB 3.31Å; V435-L438 WeakPolarHBondContact O-CB 3.43Å; V435-L438 VanDerWaalsContact O-CG 3.31Å; V435-L438 WeakPolarHBondContact O-CG 3.27Å; V435-L438 PolarHBondContact O-N 2.98Å; V435-E622 HydrophobicContact CB-CB 4.45Å; V435-E622 HydrophobicContact CG2-CB 4.33Å; V435-G625 VanDerWaalsContact CG1-C 3.49Å; V435-L629 HydrophobicContact CG1-CD1 3.89Å; V435-L691 HydrophobicContact CG1-CD2 4.03Å
436	S	89.9	Confident	93.3	Very high	17 Å²	17	25.6 Å²	25.6	12%	0.119	13%	0.134	C	C	.	.	H	α-helix	trans	-69.9	-15.5	178	74.7	0	0	0	0	113.8	T432 K433 L438 N439 R443 V444 E622	T432-S436 VanDerWaalsContact O-CB 3.3Å; T432-S436 WeakPolarHBondContact O-CB 3.26Å; T432-S436 PolarHBondContact O-N 3.26Å; T432-S436 VanDerWaalsContact O-N 3.07Å; T432-S436 PolarHBondContact O-OG 2.87Å; K433-S436 PolarHBondContact O-OG 2.91Å; S436-L438 VanDerWaalsContact C-N 3.29Å; S436-N439 PolarHBondContact O-N 2.93Å; S436-R443 PolarHBondContact O-NH2 2.81Å; S436-V444 WeakPolarHBondContact OG-CG2 3.23Å; S436-E622 WeakPolarHBondContact CA-OE1 3.39Å
437	S	93	Very high	93.1	Very high	7 Å²	7	26.2 Å²	26.2	5%	0.049	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-17.9	176.1	77.5	0	0	0	0	113.2	K433 V434 V435 N439 C440 L441 T694	K433-S437 WeakPolarHBondContact O-CB 3.28Å; K433-S437 PolarHBondContact O-N 3.42Å; K433-S437 VanDerWaalsContact O-N 3.13Å; V434-S437 PolarHBondContact O-N 3.03Å; V434-S437 PolarHBondContact O-OG 2.76Å; V435-S437 PolarHBondContact O-N 3.34Å; S437-N439 PolarHBondContact O-N 3.36Å; S437-C440 CarbonylContact O-C 3.54Å; S437-C440 PolarHBondContact O-N 3.48Å; S437-L441 PolarHBondContact O-N 2.91Å; S437-T694 WeakPolarHBondContact OG-CG2 3.38Å
438	L	89.8	Confident	92.9	Very high	74 Å²	74	28.1 Å²	28.1	39%	0.387	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-31.5	172.4	-63.8	172.7	0	0	0	111.9	V435 S436 I621 T694	V435-L438 VanDerWaalsContact O-CB 3.31Å; V435-L438 WeakPolarHBondContact O-CB 3.43Å; V435-L438 VanDerWaalsContact O-CG 3.31Å; V435-L438 WeakPolarHBondContact O-CG 3.27Å; V435-L438 PolarHBondContact O-N 2.98Å; S436-L438 VanDerWaalsContact C-N 3.29Å; L438-I621 HydrophobicContact CD1-CG2 3.76Å; L438-T694 HydrophobicContact CD2-CG2 3.76Å; L438-T694 WeakPolarHBondContact CD2-OG1 3.3Å; L438-T694 HydrophobicContact CG-CG2 4.29Å
439	N	87.5	Confident	92.8	Very high	68 Å²	68	27.9 Å²	27.9	36%	0.364	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-37.4	178.2	-82.4	-24.6	0	0	0	113.7	S436 S437 E622 I729	S436-N439 PolarHBondContact O-N 2.93Å; S437-N439 PolarHBondContact O-N 3.36Å; N439-E622 PolarHBondContact ND2-OE1 3.13Å; N439-I729 WeakPolarHBondContact O-CD1 3.38Å
440	C	91.8	Very high	92.5	Very high	16 Å²	16	27.8 Å²	27.8	11%	0.108	14%	0.142	C	C	.	.			trans	-161.6	103.1	175.5	-177.3	0	0	0	0	110.2	S437 R442 R443 V444 I729 V734	S437-C440 CarbonylContact O-C 3.54Å; S437-C440 PolarHBondContact O-N 3.48Å; C440-R442 PolarHBondContact O-N 3Å; C440-R443 HydrophobicContact CB-CB 3.79Å; C440-R443 PolarHBondContact O-N 2.82Å; C440-R443 PolarHBondContact SG-N 3.34Å; C440-R443 VanDerWaalsContact SG-N 3.38Å; C440-V444 PolarHBondContact O-N 2.83Å; C440-I729 HydrophobicContact CB-CG2 4.18Å; C440-V734 HydrophobicContact CB-CG1 4.42Å
441	L	93.8	Very high	91.5	Very high	51 Å²	51	28.2 Å²	28.2	27%	0.267	14%	0.144	S	C	.	.	H	α-helix	trans	-60.1	-44.8	179.7	-173.3	63.1	0	0	0	111.9	S437 R443 V444 V445 R697 L698 P726	S437-L441 PolarHBondContact O-N 2.91Å; L441-R443 PolarHBondContact O-N 2.85Å; L441-V444 PolarHBondContact O-N 3Å; L441-V445 WeakPolarHBondContact O-CG2 3.27Å; L441-V445 PolarHBondContact O-N 2.83Å; L441-R697 HydrophobicContact CD2-CB 4.26Å; L441-L698 HydrophobicContact CD1-CB 3.95Å; L441-L698 HydrophobicContact CD1-CD1 4.04Å; L441-P726 HydrophobicContact CB-CB 4.49Å; L441-P726 HydrophobicContact CD2-CB 4.18Å; L441-P726 HydrophobicContact CD2-CG 4.27Å; L441-P726 HydrophobicContact CG-CB 4.24Å; L441-P726 HydrophobicContact CG-CG 4.12Å
442	R	93.9	Very high	90.2	Very high	21 Å²	21	29.7 Å²	29.7	8%	0.079	15%	0.153	C	C	.	.	H	α-helix	trans	-57.8	-45.5	178.3	-174.3	-176	179.6	121.6	-10.8	112	C440 V444 V445 L446 P726 C728 C744 F747	C440-R442 PolarHBondContact O-N 3Å; R442-V444 VanDerWaalsContact C-N 3.32Å; R442-V444 PolarHBondContact O-N 2.84Å; R442-V445 PolarHBondContact O-N 3.39Å; R442-L446 HydrophobicContact CG-CD1 4.24Å; R442-L446 WeakPolarHBondContact O-CG 3.39Å; R442-L446 PolarHBondContact O-N 2.54Å; R442-P726 HydrophobicContact CB-CB 4.12Å; R442-P726 WeakPolarHBondContact CD-O 3.07Å; R442-P726 VanDerWaalsContact CG-O 3.32Å; R442-P726 WeakPolarHBondContact CG-O 3.33Å; R442-P726 PolarHBondContact NH1-O 3.2Å; R442-C728 WeakPolarHBondContact CD-SG 3.07Å; R442-C728 VanDerWaalsContact CZ-SG 3.54Å; R442-C728 PolarHBondContact NE-SG 3.05Å; R442-C744 PolarHBondContact NE-SG 3.21Å; R442-F747 PolarHBondContact NH2-O 2.86Å
443	R	92.3	Very high	88.8	Confident	49 Å²	49	27.4 Å²	27.4	19%	0.185	14%	0.138	C	C	.	.	H	α-helix	trans	-56.3	-48.9	176.9	178.4	-171.7	65.3	172.3	-0.7	110.2	S436 C440 L441 V445 L446 E447 L740	S436-R443 PolarHBondContact O-NH2 2.81Å; C440-R443 HydrophobicContact CB-CB 3.79Å; C440-R443 PolarHBondContact O-N 2.82Å; C440-R443 PolarHBondContact SG-N 3.34Å; C440-R443 VanDerWaalsContact SG-N 3.38Å; L441-R443 PolarHBondContact O-N 2.85Å; R443-V445 PolarHBondContact O-N 3.17Å; R443-L446 WeakPolarHBondContact O-CB 3.4Å; R443-L446 PolarHBondContact O-N 3.33Å; R443-E447 WeakPolarHBondContact CD-OE1 3.48Å; R443-E447 HydrophobicContact CG-CG 4.2Å; R443-E447 WeakPolarHBondContact CG-OE1 3.32Å; R443-E447 IonicContact NE-OE1 3.94Å; R443-E447 WeakPolarHBondContact O-CB 3.48Å; R443-E447 VanDerWaalsContact O-CG 3.31Å; R443-E447 WeakPolarHBondContact O-CG 3.29Å; R443-E447 PolarHBondContact O-N 3.42Å; R443-L740 HydrophobicContact CG-CD1 4.35Å
444	V	93.7	Very high	86.8	Confident	4 Å²	4	24.7 Å²	24.7	2%	0.024	13%	0.129	C	C	.	.	H	α-helix	trans	-69.6	-35.5	-176.2	-178.1	0	0	0	0	112.4	K433 S436 C440 L441 R442 L446 E447 Y448 L698	K433-V444 HydrophobicContact CB-CG1 3.96Å; K433-V444 HydrophobicContact CD-CG1 4.17Å; K433-V444 WeakPolarHBondContact O-CG1 3.27Å; S436-V444 WeakPolarHBondContact OG-CG2 3.23Å; C440-V444 PolarHBondContact O-N 2.83Å; L441-V444 PolarHBondContact O-N 3Å; R442-V444 VanDerWaalsContact C-N 3.32Å; R442-V444 PolarHBondContact O-N 2.84Å; V444-L446 VanDerWaalsContact C-N 3.34Å; V444-E447 PolarHBondContact O-N 2.99Å; V444-Y448 PolarHBondContact O-N 2.89Å; V444-L698 HydrophobicContact CB-CD1 4.03Å; V444-L698 HydrophobicContact CG1-CD1 3.62Å; V444-L698 HydrophobicContact CG1-CD2 3.77Å; V444-L698 HydrophobicContact CG1-CG 4.38Å
445	V	95.1	Very high	84.2	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.9	-42.6	171.4	172.2	0	0	0	0	110.9	L441 R442 R443 Y448 L698 I702 L705 L725 P726	L441-V445 WeakPolarHBondContact O-CG2 3.27Å; L441-V445 PolarHBondContact O-N 2.83Å; R442-V445 PolarHBondContact O-N 3.39Å; R443-V445 PolarHBondContact O-N 3.17Å; V445-Y448 WeakPolarHBondContact O-CB 3.45Å; V445-Y448 PolarHBondContact O-N 3.47Å; V445-L698 HydrophobicContact CG2-CD1 3.77Å; V445-I702 HydrophobicContact CG1-CG1 4.42Å; V445-I702 HydrophobicContact CG2-CG1 4.32Å; V445-L705 HydrophobicContact CG1-CB 4.35Å; V445-L705 HydrophobicContact CG1-CD2 3.99Å; V445-L725 HydrophobicContact CG1-CD2 4.02Å; V445-P726 HydrophobicContact CB-CG 4.28Å; V445-P726 HydrophobicContact CG2-CG 3.8Å
446	L	93.3	Very high	81.5	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-65.2	-46.4	174.2	-69.8	172.2	0	0	0	111.5	R442 R443 V444 Y448 F449 W450 L725 L740 T743 C744 F747	R442-L446 HydrophobicContact CG-CD1 4.24Å; R442-L446 WeakPolarHBondContact O-CG 3.39Å; R442-L446 PolarHBondContact O-N 2.54Å; R443-L446 WeakPolarHBondContact O-CB 3.4Å; R443-L446 PolarHBondContact O-N 3.33Å; V444-L446 VanDerWaalsContact C-N 3.34Å; L446-Y448 PolarHBondContact O-N 3.24Å; L446-F449 PolarHBondContact O-N 2.87Å; L446-W450 HydrophobicContact CB-CE3 4.28Å; L446-W450 HydrophobicContact CD2-CD2 4.48Å; L446-W450 HydrophobicContact CD2-CE3 3.63Å; L446-W450 HydrophobicContact CD2-CZ3 3.7Å; L446-W450 PolarHBondContact O-N 3.07Å; L446-L725 HydrophobicContact CD2-CD1 3.92Å; L446-L725 HydrophobicContact CD2-CD2 3.72Å; L446-L725 HydrophobicContact CG-CD2 4.24Å; L446-L740 HydrophobicContact CB-CD1 3.81Å; L446-T743 HydrophobicContact CD1-CG2 4.36Å; L446-T743 HydrophobicContact CD2-CG2 4.22Å; L446-C744 HydrophobicContact CD1-CB 4.2Å; L446-F747 HydrophobicContact CD2-CD2 3.84Å; L446-F747 HydrophobicContact CD2-CE2 4.02Å
447	E	91.2	Very high	78.9	Confident	28 Å²	28	38.9 Å²	38.9	13%	0.131	20%	0.195	C	C	.	.	H	α-helix	trans	-57.3	-19.5	178.7	-76.1	177	-177.8	0	0	114.2	K433 R443 V444 F449 W450 L740	K433-E447 IonicContact NZ-OE2 3.3Å; K433-E447 PolarHBondContact NZ-OE2 2.94Å; R443-E447 WeakPolarHBondContact CD-OE1 3.48Å; R443-E447 HydrophobicContact CG-CG 4.2Å; R443-E447 WeakPolarHBondContact CG-OE1 3.32Å; R443-E447 IonicContact NE-OE1 3.94Å; R443-E447 WeakPolarHBondContact O-CB 3.48Å; R443-E447 VanDerWaalsContact O-CG 3.31Å; R443-E447 WeakPolarHBondContact O-CG 3.29Å; R443-E447 PolarHBondContact O-N 3.42Å; V444-E447 PolarHBondContact O-N 2.99Å; E447-F449 PolarHBondContact O-N 2.83Å; E447-W450 VanDerWaalsContact CA-O 3.26Å; E447-W450 WeakPolarHBondContact CA-O 3.18Å; E447-L740 HydrophobicContact CB-CD1 4.38Å; E447-L740 HydrophobicContact CG-CD1 3.47Å; E447-L740 VanDerWaalsContact CG-CD1 3.47Å; E447-L740 HydrophobicContact CG-CG 4.43Å
448	Y	90.5	Very high	76	Confident	63 Å²	63	43 Å²	43	25%	0.247	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-32.8	173.1	-166.1	-89.5	0	0	0	112	V444 V445 L446 I702 Y795 Q946	V444-Y448 PolarHBondContact O-N 2.89Å; V445-Y448 WeakPolarHBondContact O-CB 3.45Å; V445-Y448 PolarHBondContact O-N 3.47Å; L446-Y448 PolarHBondContact O-N 3.24Å; Y448-I702 HydrophobicContact CD1-CG2 4.29Å; Y448-I702 HydrophobicContact CD2-CD1 3.67Å; Y448-I702 HydrophobicContact CD2-CG1 4.49Å; Y448-I702 HydrophobicContact CE1-CG2 4.29Å; Y448-I702 HydrophobicContact CE2-CD1 4.06Å; Y448-I702 HydrophobicContact CG-CD1 4.04Å; Y448-I702 HydrophobicContact CG-CG1 4.37Å; Y448-Y795 PolarHBondContact OH-OH 2.82Å; Y448-Q946 PolarHBondContact O-NE2 3.49Å
449	F	91	Very high	73.1	Confident	4 Å²	4	45.3 Å²	45.3	2%	0.018	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	-32.1	-177.8	-62	-73.8	0	0	0	114	L446 E447 I702 L705 L706 L792 Y795 Q946 L949	L446-F449 PolarHBondContact O-N 2.87Å; E447-F449 PolarHBondContact O-N 2.83Å; F449-I702 HydrophobicContact CE2-CG2 4.34Å; F449-L705 HydrophobicContact CD2-CD2 3.62Å; F449-L705 HydrophobicContact CE2-CD2 3.71Å; F449-L706 HydrophobicContact CE1-CD2 4.18Å; F449-L706 HydrophobicContact CE2-CD2 4.22Å; F449-L706 HydrophobicContact CE2-CG 4.35Å; F449-L706 HydrophobicContact CZ-CD1 4.18Å; F449-L706 HydrophobicContact CZ-CD2 3.52Å; F449-L706 HydrophobicContact CZ-CG 3.9Å; F449-L792 HydrophobicContact CB-CD2 4.48Å; F449-L792 HydrophobicContact CD1-CD2 3.68Å; F449-L792 HydrophobicContact CD2-CD2 4.12Å; F449-L792 HydrophobicContact CE1-CD2 3.83Å; F449-L792 HydrophobicContact CE2-CD2 4.25Å; F449-L792 HydrophobicContact CG-CD2 3.84Å; F449-L792 HydrophobicContact CZ-CD2 4.12Å; F449-Y795 HydrophobicContact CE1-CD1 4.04Å; F449-Y795 HydrophobicContact CE1-CD2 4.04Å; F449-Y795 HydrophobicContact CE1-CE1 4.08Å; F449-Y795 HydrophobicContact CE1-CE2 4.05Å; F449-Y795 HydrophobicContact CE1-CG 4.04Å; F449-Y795 HydrophobicContact CZ-CD1 4.39Å; F449-Y795 HydrophobicContact CZ-CE1 4.24Å; F449-Q946 WeakPolarHBondContact O-CA 3.15Å; F449-Q946 WeakPolarHBondContact O-CG 3.38Å; F449-L949 HydrophobicContact CB-CD1 3.73Å
450	W	89.6	Confident	70.3	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.008	22%	0.221	C	C	.	.			trans	-113.7	108.3	-179.7	-66.6	-89.4	0	0	0	110.6	L446 E447 L705 L740 T743 F747 L792 L949	L446-W450 HydrophobicContact CB-CE3 4.28Å; L446-W450 HydrophobicContact CD2-CD2 4.48Å; L446-W450 HydrophobicContact CD2-CE3 3.63Å; L446-W450 HydrophobicContact CD2-CZ3 3.7Å; L446-W450 PolarHBondContact O-N 3.07Å; E447-W450 VanDerWaalsContact CA-O 3.26Å; E447-W450 WeakPolarHBondContact CA-O 3.18Å; W450-L705 HydrophobicContact CZ3-CD2 3.99Å; W450-L740 HydrophobicContact CB-CD2 4.37Å; W450-T743 HydrophobicContact CB-CG2 3.94Å; W450-T743 HydrophobicContact CD2-CG2 3.97Å; W450-T743 HydrophobicContact CG-CG2 3.67Å; W450-F747 HydrophobicContact CD2-CE2 4.37Å; W450-F747 AromaticContact CE2-CE2 3.89Å; W450-F747 HydrophobicContact CE3-CE2 4.47Å; W450-F747 AromaticContact CH2-CE2 3.74Å; W450-F747 HydrophobicContact CH2-CE2 3.74Å; W450-F747 AromaticContact CH2-CZ 3.67Å; W450-F747 HydrophobicContact CH2-CZ 3.67Å; W450-F747 AromaticContact CZ2-CE2 3.59Å; W450-F747 HydrophobicContact CZ2-CE2 3.59Å; W450-F747 AromaticContact CZ2-CZ 3.41Å; W450-F747 HydrophobicContact CZ2-CZ 3.41Å; W450-F747 VanDerWaalsContact CZ2-CZ 3.41Å; W450-F747 HydrophobicContact CZ3-CE2 4.18Å; W450-L792 HydrophobicContact CH2-CD1 4.17Å; W450-L949 HydrophobicContact CD2-CD1 4.49Å; W450-L949 HydrophobicContact CZ2-CD1 4.23Å; W450-L949 HydrophobicContact CZ2-CD2 3.81Å
451	V	73.3	Confident	67.3	Low	47 Å²	47	48.2 Å²	48.2	29%	0.285	24%	0.237	S	C	.	.			trans	-73.8	-50.9	-170	-176.9	0	0	0	0	112.7	Q946 L1130	V451-Q946 HydrophobicContact CG2-CB 4.33Å; V451-L1130 HydrophobicContact CB-CD1 4.03Å; V451-L1130 HydrophobicContact CG1-CD1 4.35Å; V451-L1130 HydrophobicContact CG1-CD2 4.3Å; V451-L1130 HydrophobicContact CG2-CD1 4.16Å
452	T	68.1	Low	64.3	Low	34 Å²	34	52.8 Å²	52.8	21%	0.209	26%	0.261	C	S	.	.			trans	-156.8	152.8	-179.2	49.2	0	0	0	0	110.1	G454	T452-G454 PolarHBondContact O-N 3.5Å
453	D	63.6	Low	61	Low	17 Å²	17	55.9 Å²	55.9	9%	0.091	28%	0.279	C	S	.	.	S	Bend	trans	-73.8	-7.1	169.7	-64.3	-23.2	0	0	0	113.1	S739 L740 Q741 L742 T743 V953 R957	D453-S739 WeakPolarHBondContact CB-O 3.5Å; D453-S739 PolarHBondContact N-O 3.04Å; D453-S739 VanDerWaalsContact N-O 3.12Å; D453-L740 WeakPolarHBondContact OD2-CA 3.31Å; D453-Q741 PolarHBondContact OD2-N 3.32Å; D453-L742 HydrophobicContact CB-CB 4.27Å; D453-L742 WeakPolarHBondContact OD2-CA 3.15Å; D453-L742 WeakPolarHBondContact OD2-CB 3.5Å; D453-L742 PolarHBondContact OD2-N 3.14Å; D453-T743 WeakPolarHBondContact OD1-CB 3.41Å; D453-T743 PolarHBondContact OD1-N 2.65Å; D453-T743 VanDerWaalsContact OD1-N 3.12Å; D453-T743 PolarHBondContact OD1-OG1 3.45Å; D453-T743 PolarHBondContact OD2-N 2.92Å; D453-V953 HydrophobicContact CB-CG1 4.38Å; D453-R957 PolarHBondContact O-NH1 3.49Å
454	G	51.2	Low	58	Low	11 Å²	11	58.5 Å²	58.5	11%	0.113	30%	0.3	C	S	.	.			trans	81.4	117.8	-172.3	0	0	0	0	0	110.8	T452 Y456 R957 D1129	T452-G454 PolarHBondContact O-N 3.5Å; G454-Y456 PolarHBondContact O-N 3.49Å; G454-R957 PolarHBondContact O-NH1 3.1Å; G454-D1129 WeakPolarHBondContact CA-OD2 3.47Å
455	G	42.1	Very low	54.9	Low	46 Å²	46	65.1 Å²	65.1	47%	0.474	33%	0.334	S	S	.	.	S	Bend	trans	-61.1	73.9	-168	0	0	0	0	0	117.6	D1129	G455-D1129 PolarHBondContact N-OD2 2.93Å
456	Y	37.7	Very low	51.6	Low	94 Å²	94	71.9 Å²	71.9	37%	0.369	37%	0.37	S	S	.	.			trans	-121.6	116.4	174.6	-160.1	-92.3	0	0	0	109.3	G454	G454-Y456 PolarHBondContact O-N 3.49Å
457	R	33.4	Very low	48.4	Very low	179 Å²	179	74.8 Å²	74.8	68%	0.675	39%	0.39	S	S	*	.			trans	-88.1	131.9	163.4	-68.1	-173.5	177.1	-161.4	-0.3	107.2	D459 N460	R457-D459 PolarHBondContact O-N 3Å; R457-D459 VanDerWaalsContact O-N 3.14Å; R457-N460 PolarHBondContact O-N 2.79Å
458	E	33.1	Very low	45.5	Very low	94 Å²	94	80.7 Å²	80.7	44%	0.439	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-27.2	178.3	-68.9	-178.6	144.6	0	0	112.5	N460 S958	E458-N460 PolarHBondContact O-N 3.42Å; E458-N460 VanDerWaalsContact O-N 3.09Å; E458-S958 WeakPolarHBondContact OE1-CB 3.48Å; E458-S958 PolarHBondContact OE1-OG 2.86Å
459	D	28.5	Very low	42.7	Very low	123 Å²	123	85.8 Å²	85.8	66%	0.658	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-2.5	-178.4	-56.9	-31.1	0	0	0	115.1	R457	R457-D459 PolarHBondContact O-N 3Å; R457-D459 VanDerWaalsContact O-N 3.14Å
460	N	29.3	Very low	39.9	Very low	49 Å²	49	91 Å²	91	26%	0.262	48%	0.476	S	S	.	.	H	α-helix	trans	-81.7	-15.3	-176	-78	-3.4	0	0	0	114.5	R457 E458 I462 V464	R457-N460 PolarHBondContact O-N 2.79Å; E458-N460 PolarHBondContact O-N 3.42Å; E458-N460 VanDerWaalsContact O-N 3.09Å; N460-I462 VanDerWaalsContact C-N 3.34Å; N460-I462 PolarHBondContact O-N 2.77Å; N460-V464 HydrophobicContact CB-CG2 4.49Å; N460-V464 WeakPolarHBondContact O-CB 3.38Å; N460-V464 WeakPolarHBondContact O-CG2 3.41Å; N460-V464 PolarHBondContact O-N 3.18Å; N460-V464 VanDerWaalsContact O-N 3.15Å
461	E	29.2	Very low	37.4	Very low	95 Å²	95	96.8 Å²	96.8	44%	0.444	50%	0.498	S	S	.	.	H	α-helix	trans	-69.7	-30.2	176	-83.5	-167.9	-173.1	0	0	113.1
462	I	29.7	Very low	36.4	Very low	148 Å²	148	97.4 Å²	97.4	76%	0.759	50%	0.5	S	S	*	.	H	α-helix	trans	-77.5	-27.9	-178.1	-60.5	178.1	0	0	0	111.7	N460	N460-I462 VanDerWaalsContact C-N 3.34Å; N460-I462 PolarHBondContact O-N 2.77Å
463	N	24.1	Very low	35.6	Very low	85 Å²	85	99.9 Å²	99.9	46%	0.455	52%	0.519	S	S	.	.	H	α-helix	trans	-101.9	-8.8	-178	-74	-22.8	0	0	0	115.2	I465 N466 S467	N463-I465 PolarHBondContact O-N 2.93Å; N463-N466 CarbonylContact O-C 3.49Å; N463-N466 PolarHBondContact O-N 3.33Å; N463-S467 PolarHBondContact O-N 3.09Å
464	V	30.5	Very low	35.4	Very low	105 Å²	105	105.3 Å²	105.3	64%	0.636	54%	0.543	S	S	*	.	S	Bend	trans	-67.2	-21.4	178.3	160.9	0	0	0	0	113.1	N460	N460-V464 HydrophobicContact CB-CG2 4.49Å; N460-V464 WeakPolarHBondContact O-CB 3.38Å; N460-V464 WeakPolarHBondContact O-CG2 3.41Å; N460-V464 PolarHBondContact O-N 3.18Å; N460-V464 VanDerWaalsContact O-N 3.15Å
465	I	28.2	Very low	36.2	Very low	143 Å²	143	106.7 Å²	106.7	73%	0.733	55%	0.551	S	S	*	*	S	Bend	trans	-81.7	-26.8	178.8	-57.7	178.2	0	0	0	111.7	N463	N463-I465 PolarHBondContact O-N 2.93Å
466	N	26.9	Very low	37.9	Very low	141 Å²	141	105.4 Å²	105.4	75%	0.754	53%	0.534	S	S	*	.	S	Bend	trans	-132.8	58.2	-175.7	-77.3	-21.4	0	0	0	112.3	N463	N463-N466 CarbonylContact O-C 3.49Å; N463-N466 PolarHBondContact O-N 3.33Å
467	S	24.6	Very low	40	Very low	62 Å²	62	105.3 Å²	105.3	43%	0.434	54%	0.543	S	S	.	.			trans	170.6	115.2	147.1	45.3	0	0	0	0	111.1	N463 Q469	N463-S467 PolarHBondContact O-N 3.09Å; S467-Q469 PolarHBondContact O-N 3.44Å
468	N	31.2	Very low	42.3	Very low	152 Å²	152	103 Å²	103	81%	0.813	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	28.6	175.6	-80	-22.2	0	0	0	114.5	Y471	N468-Y471 WeakPolarHBondContact O-CE2 3.29Å
469	Q	31.2	Very low	44.8	Very low	170 Å²	170	99.1 Å²	99.1	79%	0.794	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.3	8.5	-167.1	-75.4	-164.8	-11.3	0	0	118.6	S467 Y471	S467-Q469 PolarHBondContact O-N 3.44Å; Q469-Y471 PolarHBondContact O-N 2.73Å
470	I	31.9	Very low	47.7	Very low	114 Å²	114	94 Å²	94	59%	0.585	50%	0.496	S	S	*	.			trans	-99	69.9	172	-48.9	178.6	0	0	0	109.7
471	Y	38.7	Very low	50.6	Low	123 Å²	123	92.1 Å²	92.1	48%	0.482	49%	0.489	S	S	.	.			trans	-68.5	161.8	172.7	-72.5	-81.2	0	0	0	111.7	N468 Q469 S473	N468-Y471 WeakPolarHBondContact O-CE2 3.29Å; Q469-Y471 PolarHBondContact O-N 2.73Å; Y471-S473 VanDerWaalsContact C-N 3.26Å; Y471-S473 PolarHBondContact O-N 2.72Å
472	N	51.3	Low	53.4	Low	61 Å²	61	91.2 Å²	91.2	33%	0.326	49%	0.493	S	S	.	.			trans	-59.6	79.7	177	-83.5	-20.2	0	0	0	111.7	Q474 S475 D476	N472-Q474 PolarHBondContact O-N 3.34Å; N472-S475 WeakPolarHBondContact CB-OG 3.34Å; N472-S475 PolarHBondContact O-N 3.35Å; N472-S475 VanDerWaalsContact O-N 3.08Å; N472-S475 PolarHBondContact O-OG 2.87Å; N472-D476 PolarHBondContact O-N 3.43Å
473	S	50.9	Low	56.4	Low	85 Å²	85	84.5 Å²	84.5	59%	0.594	46%	0.459	S	S	*	.	H	α-helix	trans	-55.8	-26.5	-173.3	61	0	0	0	0	114.2	Y471 V477	Y471-S473 VanDerWaalsContact C-N 3.26Å; Y471-S473 PolarHBondContact O-N 2.72Å; S473-V477 WeakPolarHBondContact O-CG2 3.41Å; S473-V477 PolarHBondContact O-N 3.13Å
474	Q	59	Low	59.7	Low	131 Å²	131	80.4 Å²	80.4	61%	0.612	44%	0.437	S	S	*	.	H	α-helix	trans	-73.2	-40.6	178	-70.4	-175.5	-13.6	0	0	113.6	N472 V477 M478	N472-Q474 PolarHBondContact O-N 3.34Å; Q474-V477 PolarHBondContact O-N 3.09Å; Q474-M478 WeakPolarHBondContact O-CG 3.28Å; Q474-M478 PolarHBondContact O-N 2.91Å
475	S	68.2	Low	62.6	Low	40 Å²	40	76.8 Å²	76.8	28%	0.28	41%	0.413	S	S	.	.	H	α-helix	trans	-71.3	-37.8	-179	56.3	0	0	0	0	111.3	N472 V477 M478 L479	N472-S475 WeakPolarHBondContact CB-OG 3.34Å; N472-S475 PolarHBondContact O-N 3.35Å; N472-S475 VanDerWaalsContact O-N 3.08Å; N472-S475 PolarHBondContact O-OG 2.87Å; S475-V477 VanDerWaalsContact C-N 3.33Å; S475-V477 PolarHBondContact O-N 3.5Å; S475-M478 PolarHBondContact O-N 2.96Å; S475-L479 WeakPolarHBondContact O-CB 3.42Å; S475-L479 PolarHBondContact O-N 2.71Å
476	D	78.4	Confident	65.6	Low	20 Å²	20	70.5 Å²	70.5	11%	0.107	38%	0.381	C	S	.	.	H	α-helix	trans	-56.5	-45.9	173.1	-75	1.6	0	0	0	112.4	N472 L479 T480 S522	N472-D476 PolarHBondContact O-N 3.43Å; D476-L479 PolarHBondContact O-N 2.96Å; D476-T480 VanDerWaalsContact O-CB 3.31Å; D476-T480 WeakPolarHBondContact O-CB 2.91Å; D476-T480 PolarHBondContact O-N 2.9Å; D476-T480 PolarHBondContact O-OG1 3.21Å; D476-S522 WeakPolarHBondContact OD1-CB 3.39Å; D476-S522 PolarHBondContact OD1-OG 2.57Å
477	V	80.7	Confident	68.8	Low	92 Å²	92	63.8 Å²	63.8	56%	0.558	35%	0.345	S	S	*	.	H	α-helix	trans	-65.1	-41.9	179.9	170.4	0	0	0	0	110.6	S473 Q474 S475 G481	S473-V477 WeakPolarHBondContact O-CG2 3.41Å; S473-V477 PolarHBondContact O-N 3.13Å; Q474-V477 PolarHBondContact O-N 3.09Å; S475-V477 VanDerWaalsContact C-N 3.33Å; S475-V477 PolarHBondContact O-N 3.5Å; V477-G481 PolarHBondContact O-N 3.03Å
478	M	81.6	Confident	72.1	Confident	130 Å²	130	61 Å²	61	64%	0.64	32%	0.324	S	S	*	.	H	α-helix	trans	-66	-43.2	177.1	-69.6	-70.3	95.3	0	0	112.8	Q474 S475 S482	Q474-M478 WeakPolarHBondContact O-CG 3.28Å; Q474-M478 PolarHBondContact O-N 2.91Å; S475-M478 PolarHBondContact O-N 2.96Å; M478-S482 WeakPolarHBondContact O-CB 3.3Å; M478-S482 PolarHBondContact O-N 3.44Å; M478-S482 PolarHBondContact O-OG 3.01Å
479	L	86.6	Confident	74.9	Confident	12 Å²	12	54.1 Å²	54.1	6%	0.063	29%	0.288	C	S	.	.	H	α-helix	trans	-63.1	-50.4	176	177.7	59.1	0	0	0	111.2	S475 D476 G481 S482 L483 V515 Q518 M519 I524 L529	S475-L479 WeakPolarHBondContact O-CB 3.42Å; S475-L479 PolarHBondContact O-N 2.71Å; D476-L479 PolarHBondContact O-N 2.96Å; L479-G481 VanDerWaalsContact C-N 3.34Å; L479-G481 PolarHBondContact O-N 3.41Å; L479-S482 PolarHBondContact O-N 3.33Å; L479-L483 HydrophobicContact CD1-CD1 4.04Å; L479-L483 HydrophobicContact CD1-CG 4.25Å; L479-L483 HydrophobicContact CG-CD1 4.22Å; L479-L483 WeakPolarHBondContact O-CG 2.85Å; L479-L483 PolarHBondContact O-N 3.44Å; L479-V515 HydrophobicContact CD1-CG1 4.45Å; L479-Q518 HydrophobicContact CD1-CB 4.01Å; L479-Q518 HydrophobicContact CD2-CB 4.17Å; L479-M519 HydrophobicContact CD2-CG 3.78Å; L479-I524 HydrophobicContact CD2-CG2 4.13Å; L479-L529 HydrophobicContact CD2-CD2 4.44Å
480	T	90.1	Very high	77.5	Confident	15 Å²	15	46.6 Å²	46.6	9%	0.092	25%	0.252	C	S	.	.	H	α-helix	trans	-58	-48.8	178.4	-54.1	0	0	0	0	110.2	D476 S482 L483 V484 K532	D476-T480 VanDerWaalsContact O-CB 3.31Å; D476-T480 WeakPolarHBondContact O-CB 2.91Å; D476-T480 PolarHBondContact O-N 2.9Å; D476-T480 PolarHBondContact O-OG1 3.21Å; T480-S482 PolarHBondContact O-N 3.2Å; T480-L483 PolarHBondContact O-N 3.44Å; T480-V484 HydrophobicContact CG2-CG2 4.38Å; T480-V484 VanDerWaalsContact O-CG2 3.31Å; T480-V484 WeakPolarHBondContact O-CG2 3.21Å; T480-V484 PolarHBondContact O-N 3.37Å; T480-K532 HydrophobicContact CG2-CB 4.17Å; T480-K532 HydrophobicContact CG2-CD 4.42Å
481	G	88.7	Confident	80.3	Confident	10 Å²	10	41.2 Å²	41.2	10%	0.103	23%	0.225	C	C	.	.	H	α-helix	trans	-57.9	-45.3	178.6	0	0	0	0	0	112.9	V477 L479 L483 V484 H485	V477-G481 PolarHBondContact O-N 3.03Å; L479-G481 VanDerWaalsContact C-N 3.34Å; L479-G481 PolarHBondContact O-N 3.41Å; G481-L483 VanDerWaalsContact C-N 3.35Å; G481-L483 PolarHBondContact O-N 3.1Å; G481-V484 PolarHBondContact O-N 2.9Å; G481-H485 PolarHBondContact O-CD2 2.9Å; G481-H485 VanDerWaalsContact O-CD2 3.28Å; G481-H485 PolarHBondContact O-N 3.43Å
482	S	88.6	Confident	82.7	Confident	77 Å²	77	35.6 Å²	35.6	54%	0.538	20%	0.203	S	C	.	.	H	α-helix	trans	-62.9	-39.9	179.2	-57.9	0	0	0	0	112.6	M478 L479 T480 E486	M478-S482 WeakPolarHBondContact O-CB 3.3Å; M478-S482 PolarHBondContact O-N 3.44Å; M478-S482 PolarHBondContact O-OG 3.01Å; L479-S482 PolarHBondContact O-N 3.33Å; T480-S482 PolarHBondContact O-N 3.2Å; S482-E486 PolarHBondContact O-N 3.27Å; S482-E486 VanDerWaalsContact O-N 3.14Å
483	L	93.2	Very high	84.3	Confident	6 Å²	6	34.5 Å²	34.5	3%	0.031	20%	0.2	C	C	.	.	H	α-helix	trans	-72.6	-35.5	178.3	-67.9	177.2	0	0	0	112.4	L479 T480 G481 E486 L487 L509 V515 L529 L533	L479-L483 HydrophobicContact CD1-CD1 4.04Å; L479-L483 HydrophobicContact CD1-CG 4.25Å; L479-L483 HydrophobicContact CG-CD1 4.22Å; L479-L483 WeakPolarHBondContact O-CG 2.85Å; L479-L483 PolarHBondContact O-N 3.44Å; T480-L483 PolarHBondContact O-N 3.44Å; G481-L483 VanDerWaalsContact C-N 3.35Å; G481-L483 PolarHBondContact O-N 3.1Å; L483-E486 PolarHBondContact O-N 2.82Å; L483-L487 WeakPolarHBondContact O-CB 2.84Å; L483-L487 PolarHBondContact O-N 3.46Å; L483-L509 HydrophobicContact CD2-CB 4.37Å; L483-V515 HydrophobicContact CD1-CG1 3.85Å; L483-V515 HydrophobicContact CD2-CG1 4.3Å; L483-V515 HydrophobicContact CD2-CG2 3.95Å; L483-L529 HydrophobicContact CD1-CD1 4.16Å; L483-L529 HydrophobicContact CD1-CD2 3.77Å; L483-L529 HydrophobicContact CD1-CG 4.34Å; L483-L533 HydrophobicContact CB-CD1 4.19Å; L483-L533 HydrophobicContact CB-CD2 3.82Å; L483-L533 HydrophobicContact CD1-CD1 4.17Å
484	V	93.9	Very high	85.9	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64.5	-42.1	173.1	173.5	0	0	0	0	111	T480 G481 E486 L487 F488 L533 F536 T614 L661	T480-V484 HydrophobicContact CG2-CG2 4.38Å; T480-V484 VanDerWaalsContact O-CG2 3.31Å; T480-V484 WeakPolarHBondContact O-CG2 3.21Å; T480-V484 PolarHBondContact O-N 3.37Å; G481-V484 PolarHBondContact O-N 2.9Å; V484-E486 VanDerWaalsContact C-N 3.33Å; V484-E486 PolarHBondContact O-N 2.84Å; V484-L487 PolarHBondContact O-N 2.77Å; V484-F488 WeakPolarHBondContact O-CB 2.89Å; V484-F488 PolarHBondContact O-N 3.14Å; V484-L533 HydrophobicContact CG2-CD2 3.54Å; V484-F536 HydrophobicContact CG1-CB 4.26Å; V484-F536 HydrophobicContact CG1-CD1 3.99Å; V484-F536 HydrophobicContact CG1-CD2 4.47Å; V484-F536 HydrophobicContact CG1-CE1 4.43Å; V484-F536 HydrophobicContact CG1-CG 4Å; V484-F536 HydrophobicContact CG2-CB 4.41Å; V484-F536 HydrophobicContact CG2-CD2 3.66Å; V484-F536 HydrophobicContact CG2-CE2 4Å; V484-F536 HydrophobicContact CG2-CG 3.98Å; V484-T614 HydrophobicContact CB-CG2 3.77Å; V484-T614 HydrophobicContact CG1-CG2 3.56Å; V484-L661 HydrophobicContact CG1-CD1 3.54Å
485	H	91	Very high	86.7	Confident	28 Å²	28	29 Å²	29	13%	0.13	17%	0.168	C	C	.	.	H	α-helix	trans	-56.3	-49.5	172.5	-88.7	-120.1	0	0	0	111.1	G481 L487 F488 Q489 D588 L612 T614	G481-H485 PolarHBondContact O-CD2 2.9Å; G481-H485 VanDerWaalsContact O-CD2 3.28Å; G481-H485 PolarHBondContact O-N 3.43Å; H485-L487 VanDerWaalsContact C-N 3.35Å; H485-L487 PolarHBondContact O-N 2.78Å; H485-F488 PolarHBondContact O-N 3.44Å; H485-Q489 WeakPolarHBondContact O-CB 2.98Å; H485-Q489 VanDerWaalsContact O-CD 3.32Å; H485-Q489 WeakPolarHBondContact O-CG 3.24Å; H485-Q489 PolarHBondContact O-N 2.96Å; H485-D588 IonicContact CE1-OD1 2.68Å; H485-D588 IonicContact CE1-OD2 2.82Å; H485-D588 PolarHBondContact CE1-OD2 3Å; H485-D588 IonicContact ND1-OD1 2.64Å; H485-D588 IonicContact ND1-OD2 3.2Å; H485-L612 PolarHBondContact CE1-O 3.24Å; H485-L612 PolarHBondContact NE2-O 3.01Å; H485-L612 VanDerWaalsContact NE2-O 3.16Å; H485-T614 VanDerWaalsContact CD2-CG2 3.47Å; H485-T614 WeakPolarHBondContact CD2-CG2 3.4Å
486	E	90.6	Very high	87.2	Confident	12 Å²	12	32.6 Å²	32.6	6%	0.056	18%	0.184	C	C	.	.	H	α-helix	trans	-60.1	-43.1	177.7	151	155.6	-146.5	0	0	112.8	K132 S482 L483 V484 Q489 K490 L509 R512	K132-E486 HydrophobicContact CD-CG 4.21Å; K132-E486 WeakPolarHBondContact CD-OE1 3.33Å; K132-E486 WeakPolarHBondContact CD-OE2 3.39Å; K132-E486 WeakPolarHBondContact CE-OE1 3.17Å; K132-E486 WeakPolarHBondContact CE-OE2 2.91Å; K132-E486 IonicContact NZ-OE1 2.68Å; K132-E486 PolarHBondContact NZ-OE1 3.33Å; K132-E486 IonicContact NZ-OE2 3.11Å; K132-E486 PolarHBondContact NZ-OE2 3.48Å; S482-E486 PolarHBondContact O-N 3.27Å; S482-E486 VanDerWaalsContact O-N 3.14Å; L483-E486 PolarHBondContact O-N 2.82Å; V484-E486 VanDerWaalsContact C-N 3.33Å; V484-E486 PolarHBondContact O-N 2.84Å; E486-Q489 PolarHBondContact O-N 3.16Å; E486-K490 HydrophobicContact CG-CD 4.36Å; E486-K490 WeakPolarHBondContact O-CG 3.44Å; E486-K490 PolarHBondContact O-N 3.34Å; E486-K490 VanDerWaalsContact OE1-CE 3.3Å; E486-K490 WeakPolarHBondContact OE1-CE 3.11Å; E486-K490 IonicContact OE1-NZ 3.73Å; E486-K490 PolarHBondContact OE1-NZ 2.98Å; E486-L509 HydrophobicContact CG-CD1 3.72Å; E486-L509 HydrophobicContact CG-CD2 3.66Å; E486-L509 HydrophobicContact CG-CG 4.33Å; E486-L509 WeakPolarHBondContact OE1-CD2 3.42Å; E486-R512 IonicContact OE1-NH1 2.9Å; E486-R512 PolarHBondContact OE1-NH1 3.02Å; E486-R512 IonicContact OE2-NH1 3.37Å; E486-R512 PolarHBondContact OE2-NH1 3.28Å
487	L	93.4	Very high	87.4	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.3	-49.1	178.7	177.6	62.2	0	0	0	110.5	L483 V484 H485 Q489 K490 I491 I505 V506 L509 V537 I540	L483-L487 WeakPolarHBondContact O-CB 2.84Å; L483-L487 PolarHBondContact O-N 3.46Å; V484-L487 PolarHBondContact O-N 2.77Å; H485-L487 VanDerWaalsContact C-N 3.35Å; H485-L487 PolarHBondContact O-N 2.78Å; L487-Q489 VanDerWaalsContact C-N 3.35Å; L487-Q489 PolarHBondContact O-N 3.37Å; L487-K490 PolarHBondContact O-N 2.99Å; L487-I491 HydrophobicContact CD1-CD1 3.82Å; L487-I491 HydrophobicContact CD1-CG1 4.33Å; L487-I491 HydrophobicContact CG-CD1 3.82Å; L487-I491 VanDerWaalsContact O-CG1 3.32Å; L487-I491 WeakPolarHBondContact O-CG1 3.32Å; L487-I491 PolarHBondContact O-N 2.97Å; L487-I505 HydrophobicContact CD1-CB 4.21Å; L487-I505 HydrophobicContact CD1-CG2 3.76Å; L487-V506 HydrophobicContact CD1-CG2 3.81Å; L487-V506 HydrophobicContact CD2-CG2 3.71Å; L487-V506 HydrophobicContact CG-CG2 4.4Å; L487-L509 HydrophobicContact CB-CD1 4.23Å; L487-V537 HydrophobicContact CD2-CG2 4.09Å; L487-I540 HydrophobicContact CD2-CD1 3.92Å; L487-I540 HydrophobicContact CG-CD1 3.97Å
488	F	94.1	Very high	87.7	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.009	18%	0.181	C	C	.	.	H	α-helix	trans	-55.1	-50.6	176.1	178.6	-88	0	0	0	111.1	V484 H485 K490 I491 I492 I540 W543 M610 L612 L661	V484-F488 WeakPolarHBondContact O-CB 2.89Å; V484-F488 PolarHBondContact O-N 3.14Å; H485-F488 PolarHBondContact O-N 3.44Å; F488-K490 VanDerWaalsContact C-N 3.34Å; F488-K490 PolarHBondContact O-N 2.75Å; F488-I491 PolarHBondContact O-N 2.96Å; F488-I491 VanDerWaalsContact O-N 3.14Å; F488-I492 HydrophobicContact CD1-CD1 4.21Å; F488-I492 HydrophobicContact CD1-CG2 4.2Å; F488-I492 HydrophobicContact CE1-CD1 3.77Å; F488-I492 HydrophobicContact CE1-CG1 4.39Å; F488-I492 HydrophobicContact CE1-CG2 3.82Å; F488-I492 HydrophobicContact CE2-CG2 4.17Å; F488-I492 HydrophobicContact CZ-CG2 3.81Å; F488-I492 WeakPolarHBondContact O-CG1 3.19Å; F488-I492 WeakPolarHBondContact O-CG2 2.85Å; F488-I492 PolarHBondContact O-N 2.93Å; F488-I540 HydrophobicContact CB-CD1 4.24Å; F488-I540 HydrophobicContact CD2-CG1 4.12Å; F488-I540 HydrophobicContact CD2-CG2 3.83Å; F488-I540 HydrophobicContact CE2-CG2 4.44Å; F488-W543 AromaticContact CE2-CD2 3.86Å; F488-W543 HydrophobicContact CE2-CD2 3.86Å; F488-W543 AromaticContact CE2-CE3 3.64Å; F488-W543 HydrophobicContact CE2-CE3 3.64Å; F488-W543 HydrophobicContact CE2-CG 4.42Å; F488-W543 HydrophobicContact CE2-CH2 4.45Å; F488-W543 AromaticContact CE2-CZ3 3.97Å; F488-W543 HydrophobicContact CE2-CZ3 3.97Å; F488-W543 HydrophobicContact CZ-CD2 4.05Å; F488-W543 AromaticContact CZ-CE3 3.73Å; F488-W543 HydrophobicContact CZ-CE3 3.73Å; F488-W543 AromaticContact CZ-CH2 3.72Å; F488-W543 HydrophobicContact CZ-CH2 3.72Å; F488-W543 HydrophobicContact CZ-CZ2 4.02Å; F488-W543 AromaticContact CZ-CZ3 3.57Å; F488-W543 HydrophobicContact CZ-CZ3 3.57Å; F488-M610 HydrophobicContact CD1-CE 4.49Å; F488-M610 HydrophobicContact CE1-CE 3.4Å; F488-M610 VanDerWaalsContact CE1-CE 3.4Å; F488-M610 HydrophobicContact CZ-CE 3.76Å; F488-L612 HydrophobicContact CB-CD2 3.79Å; F488-L612 HydrophobicContact CD1-CD1 4.47Å; F488-L612 HydrophobicContact CD1-CD2 3.58Å; F488-L612 HydrophobicContact CD2-CD1 4.39Å; F488-L612 HydrophobicContact CD2-CD2 4.29Å; F488-L612 HydrophobicContact CE1-CD1 4.39Å; F488-L612 HydrophobicContact CE1-CD2 4.21Å; F488-L612 HydrophobicContact CE2-CD1 4.31Å; F488-L612 HydrophobicContact CG-CD1 4.46Å; F488-L612 HydrophobicContact CG-CD2 3.62Å; F488-L612 HydrophobicContact CZ-CD1 4.3Å; F488-L661 HydrophobicContact CD2-CD1 4.42Å; F488-L661 HydrophobicContact CD2-CD2 3.82Å; F488-L661 HydrophobicContact CE2-CD2 3.9Å
489	Q	89.7	Confident	87.9	Confident	8 Å²	8	34.1 Å²	34.1	4%	0.037	18%	0.176	C	C	.	.	H	α-helix	trans	-55.9	-44.8	177.9	-73.7	164.5	6.6	0	0	112.8	H485 E486 L487 I491 I492 S493 I572 E573	H485-Q489 WeakPolarHBondContact O-CB 2.98Å; H485-Q489 VanDerWaalsContact O-CD 3.32Å; H485-Q489 WeakPolarHBondContact O-CG 3.24Å; H485-Q489 PolarHBondContact O-N 2.96Å; E486-Q489 PolarHBondContact O-N 3.16Å; L487-Q489 VanDerWaalsContact C-N 3.35Å; L487-Q489 PolarHBondContact O-N 3.37Å; Q489-I491 VanDerWaalsContact C-N 3.34Å; Q489-I492 WeakPolarHBondContact O-CG1 2.87Å; Q489-S493 PolarHBondContact O-N 2.88Å; Q489-S493 PolarHBondContact O-OG 2.67Å; Q489-I572 HydrophobicContact CB-CD1 3.77Å; Q489-I572 HydrophobicContact CB-CG2 3.88Å; Q489-I572 HydrophobicContact CG-CD1 4.17Å; Q489-I572 HydrophobicContact CG-CG2 3.62Å; Q489-I572 VanDerWaalsContact O-CD1 3.29Å; Q489-I572 WeakPolarHBondContact O-CD1 3.42Å; Q489-E573 PolarHBondContact NE2-OE1 2.82Å
490	K	87.8	Confident	88	Confident	13 Å²	13	39.6 Å²	39.6	6%	0.057	21%	0.206	C	C	.	.	H	α-helix	trans	-68.1	-33.4	179	-77.6	179.7	166.5	168.7	0	112.8	E486 L487 F488 R494 I505 L509	E486-K490 HydrophobicContact CG-CD 4.36Å; E486-K490 WeakPolarHBondContact O-CG 3.44Å; E486-K490 PolarHBondContact O-N 3.34Å; E486-K490 VanDerWaalsContact OE1-CE 3.3Å; E486-K490 WeakPolarHBondContact OE1-CE 3.11Å; E486-K490 IonicContact OE1-NZ 3.73Å; E486-K490 PolarHBondContact OE1-NZ 2.98Å; L487-K490 PolarHBondContact O-N 2.99Å; F488-K490 VanDerWaalsContact C-N 3.34Å; F488-K490 PolarHBondContact O-N 2.75Å; K490-R494 WeakPolarHBondContact O-CG 3.47Å; K490-I505 HydrophobicContact CB-CD1 4.16Å; K490-I505 HydrophobicContact CB-CG2 4.38Å; K490-I505 HydrophobicContact CD-CG2 3.63Å; K490-L509 HydrophobicContact CD-CD2 4.46Å; K490-L509 VanDerWaalsContact NZ-CD2 3.32Å
491	I	90.2	Very high	87.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-71.5	-48.4	177.9	-70	167.5	0	0	0	110.1	L487 F488 Q489 S493 R494 I497 A502 I540 T544	L487-I491 HydrophobicContact CD1-CD1 3.82Å; L487-I491 HydrophobicContact CD1-CG1 4.33Å; L487-I491 HydrophobicContact CG-CD1 3.82Å; L487-I491 VanDerWaalsContact O-CG1 3.32Å; L487-I491 WeakPolarHBondContact O-CG1 3.32Å; L487-I491 PolarHBondContact O-N 2.97Å; F488-I491 PolarHBondContact O-N 2.96Å; F488-I491 VanDerWaalsContact O-N 3.14Å; Q489-I491 VanDerWaalsContact C-N 3.34Å; I491-S493 VanDerWaalsContact C-N 3.31Å; I491-S493 PolarHBondContact O-N 3.17Å; I491-R494 PolarHBondContact O-N 3.08Å; I491-I497 HydrophobicContact CG1-CD1 4.07Å; I491-I497 HydrophobicContact CG2-CG2 3.85Å; I491-A502 HydrophobicContact CD1-CB 4.07Å; I491-A502 HydrophobicContact CG1-CB 4.42Å; I491-I540 HydrophobicContact CB-CG2 4.13Å; I491-I540 HydrophobicContact CD1-CB 4.28Å; I491-I540 HydrophobicContact CD1-CD1 4.09Å; I491-I540 HydrophobicContact CD1-CG2 3.73Å; I491-I540 HydrophobicContact CG2-CG2 3.82Å; I491-T544 HydrophobicContact CG2-CG2 4.07Å
492	I	89.1	Confident	87.9	Confident	5 Å²	5	41.2 Å²	41.2	3%	0.026	21%	0.212	C	C	.	.	H	α-helix	trans	-68.2	-27.3	-176.9	65.7	165.5	0	0	0	113.5	F488 Q489 R494 W543 T544 V569 I572 L591	F488-I492 HydrophobicContact CD1-CD1 4.21Å; F488-I492 HydrophobicContact CD1-CG2 4.2Å; F488-I492 HydrophobicContact CE1-CD1 3.77Å; F488-I492 HydrophobicContact CE1-CG1 4.39Å; F488-I492 HydrophobicContact CE1-CG2 3.82Å; F488-I492 HydrophobicContact CE2-CG2 4.17Å; F488-I492 HydrophobicContact CZ-CG2 3.81Å; F488-I492 WeakPolarHBondContact O-CG1 3.19Å; F488-I492 WeakPolarHBondContact O-CG2 2.85Å; F488-I492 PolarHBondContact O-N 2.93Å; Q489-I492 WeakPolarHBondContact O-CG1 2.87Å; I492-R494 VanDerWaalsContact C-N 3.34Å; I492-W543 HydrophobicContact CG2-CE3 4.39Å; I492-W543 HydrophobicContact CG2-CZ3 3.78Å; I492-T544 HydrophobicContact CG2-CG2 4.1Å; I492-V569 HydrophobicContact CB-CG2 4.29Å; I492-V569 HydrophobicContact CD1-CG1 4.13Å; I492-V569 HydrophobicContact CD1-CG2 4.1Å; I492-V569 HydrophobicContact CG1-CG2 4.25Å; I492-I572 HydrophobicContact CD1-CD1 4.27Å; I492-I572 HydrophobicContact CG1-CD1 4.22Å; I492-L591 HydrophobicContact CD1-CD2 4.42Å
493	S	84.7	Confident	88	Confident	39 Å²	39	39.8 Å²	39.8	27%	0.273	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-8.5	178.1	-77.8	0	0	0	0	114.8	Q128 Q489 I491 I572	Q128-S493 PolarHBondContact NE2-OG 3.36Å; Q128-S493 VanDerWaalsContact NE2-OG 3.1Å; Q489-S493 PolarHBondContact O-N 2.88Å; Q489-S493 PolarHBondContact O-OG 2.67Å; I491-S493 VanDerWaalsContact C-N 3.31Å; I491-S493 PolarHBondContact O-N 3.17Å; S493-I572 WeakPolarHBondContact OG-CD1 3.49Å
494	R	83.8	Confident	87.7	Confident	48 Å²	48	46.1 Å²	46.1	18%	0.181	23%	0.227	C	C	.	.	S	Bend	trans	-113.4	118.5	-177.5	-69.3	177.5	-179.6	-166.9	1.8	110.2	K490 I491 I492 I497	K490-R494 WeakPolarHBondContact O-CG 3.47Å; I491-R494 PolarHBondContact O-N 3.08Å; I492-R494 VanDerWaalsContact C-N 3.34Å; R494-I497 HydrophobicContact CB-CB 4.32Å; R494-I497 HydrophobicContact CB-CD1 4.45Å
495	P	76.6	Confident	87.4	Confident	52 Å²	52	46.9 Å²	46.9	34%	0.338	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	145.3	169.8	26.2	-30	0	0	0	110.3	M121 I497 Q550	M121-P495 HydrophobicContact CE-CG 3.1Å; P495-I497 VanDerWaalsContact C-N 3.32Å; P495-I497 PolarHBondContact O-N 3.23Å; P495-Q550 VanDerWaalsContact CB-OE1 3.29Å
496	N	77.5	Confident	87.4	Confident	116 Å²	116	45.5 Å²	45.5	62%	0.62	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.6	28.8	172.7	-56	-28.8	0	0	0	115.9	Q498	N496-Q498 PolarHBondContact O-N 3.33Å
497	I	83.5	Confident	87.3	Confident	9 Å²	9	47 Å²	47	5%	0.046	24%	0.237	C	C	.	.			trans	-69	130.5	176.7	-167.2	168.3	0	0	0	111.3	I491 R494 P495 D501 I505 F541	I491-I497 HydrophobicContact CG1-CD1 4.07Å; I491-I497 HydrophobicContact CG2-CG2 3.85Å; R494-I497 HydrophobicContact CB-CB 4.32Å; R494-I497 HydrophobicContact CB-CD1 4.45Å; P495-I497 VanDerWaalsContact C-N 3.32Å; P495-I497 PolarHBondContact O-N 3.23Å; I497-D501 HydrophobicContact CD1-CB 4.19Å; I497-D501 HydrophobicContact CG1-CB 3.58Å; I497-I505 HydrophobicContact CD1-CD1 3.62Å; I497-F541 HydrophobicContact CG2-CE1 4.33Å; I497-F541 HydrophobicContact CG2-CZ 4.28Å; I497-F541 VanDerWaalsContact O-CE1 3.29Å; I497-F541 WeakPolarHBondContact O-CE1 3.49Å
498	Q	86.7	Confident	86.9	Confident	119 Å²	119	49.2 Å²	49.2	56%	0.556	26%	0.259	S	S	*	.			trans	-92.1	165.4	177.2	-59.6	-58.7	-41.2	0	0	111.4	N496 D500 D501 A502	N496-Q498 PolarHBondContact O-N 3.33Å; Q498-D500 VanDerWaalsContact C-N 3.26Å; Q498-D500 PolarHBondContact O-N 2.86Å; Q498-D501 WeakPolarHBondContact CB-OD2 3.38Å; Q498-D501 PolarHBondContact N-OD2 3.34Å; Q498-D501 WeakPolarHBondContact O-CB 3.4Å; Q498-D501 PolarHBondContact O-N 2.64Å; Q498-A502 PolarHBondContact O-N 2.84Å; Q498-A502 VanDerWaalsContact O-N 3.15Å
499	R	86.6	Confident	86.6	Confident	145 Å²	145	49.1 Å²	49.1	55%	0.547	26%	0.258	S	S	.	.	H	α-helix	trans	-58.6	-39.3	176.6	-73	-175.2	-180	-175.8	0.1	112	D501 A502 L503 F541	R499-D501 VanDerWaalsContact C-N 3.34Å; R499-D501 PolarHBondContact O-N 2.99Å; R499-A502 WeakPolarHBondContact O-CB 3.37Å; R499-A502 PolarHBondContact O-N 3.26Å; R499-A502 VanDerWaalsContact O-N 3.16Å; R499-L503 WeakPolarHBondContact O-CG 3.35Å; R499-L503 PolarHBondContact O-N 3.4Å; R499-F541 HydrophobicContact CB-CE2 4.42Å; R499-F541 HydrophobicContact CG-CD2 4.04Å; R499-F541 HydrophobicContact CG-CE1 4.49Å; R499-F541 HydrophobicContact CG-CE2 3.86Å; R499-F541 HydrophobicContact CG-CG 4.45Å; R499-F541 HydrophobicContact CG-CZ 4.12Å
500	D	87.8	Confident	86.6	Confident	127 Å²	127	48.9 Å²	48.9	68%	0.679	26%	0.258	S	S	*	.	H	α-helix	trans	-63.6	-38.9	178.2	-64.6	-43.6	0	0	0	112.2	Q498 A502 L503 Q504	Q498-D500 VanDerWaalsContact C-N 3.26Å; Q498-D500 PolarHBondContact O-N 2.86Å; D500-A502 VanDerWaalsContact C-N 3.32Å; D500-A502 PolarHBondContact O-N 3.04Å; D500-L503 PolarHBondContact O-N 2.85Å; D500-Q504 PolarHBondContact O-N 3.36Å
501	D	87.7	Confident	86.5	Confident	60 Å²	60	51.4 Å²	51.4	32%	0.321	27%	0.267	S	S	.	.	H	α-helix	trans	-63.2	-39.7	174.2	-59	-48.1	0	0	0	111.4	I497 Q498 R499 Q504 I505	I497-D501 HydrophobicContact CD1-CB 4.19Å; I497-D501 HydrophobicContact CG1-CB 3.58Å; Q498-D501 WeakPolarHBondContact CB-OD2 3.38Å; Q498-D501 PolarHBondContact N-OD2 3.34Å; Q498-D501 WeakPolarHBondContact O-CB 3.4Å; Q498-D501 PolarHBondContact O-N 2.64Å; R499-D501 VanDerWaalsContact C-N 3.34Å; R499-D501 PolarHBondContact O-N 2.99Å; D501-Q504 WeakPolarHBondContact O-CB 3.38Å; D501-Q504 PolarHBondContact O-N 3.31Å; D501-I505 WeakPolarHBondContact O-CG1 3.19Å; D501-I505 PolarHBondContact O-N 2.97Å
502	A	88.4	Confident	86.2	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64.4	-40.9	176.9	0	0	0	0	0	111.6	I491 Q498 R499 D500 Q504 I505 V506 V537 F541	I491-A502 HydrophobicContact CD1-CB 4.07Å; I491-A502 HydrophobicContact CG1-CB 4.42Å; Q498-A502 PolarHBondContact O-N 2.84Å; Q498-A502 VanDerWaalsContact O-N 3.15Å; R499-A502 WeakPolarHBondContact O-CB 3.37Å; R499-A502 PolarHBondContact O-N 3.26Å; R499-A502 VanDerWaalsContact O-N 3.16Å; D500-A502 VanDerWaalsContact C-N 3.32Å; D500-A502 PolarHBondContact O-N 3.04Å; A502-Q504 VanDerWaalsContact C-N 3.33Å; A502-I505 WeakPolarHBondContact O-CB 3.39Å; A502-I505 PolarHBondContact O-N 3.2Å; A502-V506 WeakPolarHBondContact O-CG2 3.19Å; A502-V506 PolarHBondContact O-N 3.36Å; A502-V537 HydrophobicContact CB-CG1 4.06Å; A502-F541 HydrophobicContact CB-CE2 3.76Å; A502-F541 HydrophobicContact CB-CZ 4.25Å
503	L	91.8	Very high	85.9	Confident	46 Å²	46	52.7 Å²	52.7	24%	0.241	27%	0.273	C	S	.	.	H	α-helix	trans	-67.1	-33.2	174.5	-64.9	176.5	0	0	0	112.4	R499 D500 V506 S507 F530 E534 V537	R499-L503 WeakPolarHBondContact O-CG 3.35Å; R499-L503 PolarHBondContact O-N 3.4Å; D500-L503 PolarHBondContact O-N 2.85Å; L503-V506 PolarHBondContact O-N 3.04Å; L503-S507 WeakPolarHBondContact O-CB 3.35Å; L503-S507 PolarHBondContact O-N 3Å; L503-S507 PolarHBondContact O-OG 3.18Å; L503-F530 HydrophobicContact CD2-CZ 4.16Å; L503-E534 HydrophobicContact CD2-CG 4.11Å; L503-V537 HydrophobicContact CD2-CG2 4.41Å
504	Q	87.1	Confident	85.6	Confident	139 Å²	139	51.4 Å²	51.4	65%	0.65	26%	0.264	S	S	*	.	H	α-helix	trans	-66.2	-40.7	170.8	-168.1	-176.5	16	0	0	111.3	D500 D501 A502 S507 G508	D500-Q504 PolarHBondContact O-N 3.36Å; D501-Q504 WeakPolarHBondContact O-CB 3.38Å; D501-Q504 PolarHBondContact O-N 3.31Å; A502-Q504 VanDerWaalsContact C-N 3.33Å; Q504-S507 PolarHBondContact O-N 3.46Å; Q504-G508 PolarHBondContact O-N 3.41Å
505	I	88.1	Confident	85.8	Confident	16 Å²	16	49.2 Å²	49.2	8%	0.082	26%	0.256	C	S	.	.	H	α-helix	trans	-59.3	-51.9	172.6	-68.1	165.6	0	0	0	109.6	L487 K490 I497 D501 A502 S507 G508 L509	L487-I505 HydrophobicContact CD1-CB 4.21Å; L487-I505 HydrophobicContact CD1-CG2 3.76Å; K490-I505 HydrophobicContact CB-CD1 4.16Å; K490-I505 HydrophobicContact CB-CG2 4.38Å; K490-I505 HydrophobicContact CD-CG2 3.63Å; I497-I505 HydrophobicContact CD1-CD1 3.62Å; D501-I505 WeakPolarHBondContact O-CG1 3.19Å; D501-I505 PolarHBondContact O-N 2.97Å; A502-I505 WeakPolarHBondContact O-CB 3.39Å; A502-I505 PolarHBondContact O-N 3.2Å; I505-S507 VanDerWaalsContact C-N 3.29Å; I505-S507 PolarHBondContact O-N 2.79Å; I505-G508 CarbonylContact O-C 3.59Å; I505-G508 WeakPolarHBondContact O-CA 3.25Å; I505-G508 PolarHBondContact O-N 3.05Å; I505-L509 HydrophobicContact CG2-CD1 4.3Å; I505-L509 HydrophobicContact CG2-CD2 4.32Å; I505-L509 HydrophobicContact CG2-CG 4.1Å; I505-L509 VanDerWaalsContact O-CG 3.28Å; I505-L509 WeakPolarHBondContact O-CG 3.44Å; I505-L509 PolarHBondContact O-N 3.35Å
506	V	90.7	Very high	86.4	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-53.1	-48.3	178.7	170.6	0	0	0	0	111	L487 A502 L503 G508 L509 I510 F530 L533 V537	L487-V506 HydrophobicContact CD1-CG2 3.81Å; L487-V506 HydrophobicContact CD2-CG2 3.71Å; L487-V506 HydrophobicContact CG-CG2 4.4Å; A502-V506 WeakPolarHBondContact O-CG2 3.19Å; A502-V506 PolarHBondContact O-N 3.36Å; L503-V506 PolarHBondContact O-N 3.04Å; V506-G508 VanDerWaalsContact C-N 3.35Å; V506-G508 PolarHBondContact O-N 2.86Å; V506-L509 WeakPolarHBondContact O-CB 3.44Å; V506-L509 PolarHBondContact O-N 3.06Å; V506-L509 VanDerWaalsContact O-N 3.11Å; V506-I510 HydrophobicContact CG1-CD1 3.94Å; V506-I510 WeakPolarHBondContact O-CG1 3.25Å; V506-I510 PolarHBondContact O-N 3.48Å; V506-I510 VanDerWaalsContact O-N 3.12Å; V506-F530 HydrophobicContact CB-CE2 4.39Å; V506-F530 HydrophobicContact CG1-CD2 3.68Å; V506-F530 HydrophobicContact CG1-CE2 3.77Å; V506-F530 HydrophobicContact CG1-CG 4.32Å; V506-F530 HydrophobicContact CG1-CZ 4.48Å; V506-L533 HydrophobicContact CG1-CB 3.84Å; V506-L533 HydrophobicContact CG1-CD1 3.95Å; V506-L533 HydrophobicContact CG2-CB 4.25Å; V506-V537 HydrophobicContact CG2-CG2 4.32Å
507	S	87.9	Confident	86.8	Confident	44 Å²	44	42.4 Å²	42.4	31%	0.308	22%	0.217	S	C	.	.	H	α-helix	trans	-57.8	-48.4	176.1	-59.9	0	0	0	0	111.1	L503 Q504 I505 L509 I510 Y511	L503-S507 WeakPolarHBondContact O-CB 3.35Å; L503-S507 PolarHBondContact O-N 3Å; L503-S507 PolarHBondContact O-OG 3.18Å; Q504-S507 PolarHBondContact O-N 3.46Å; I505-S507 VanDerWaalsContact C-N 3.29Å; I505-S507 PolarHBondContact O-N 2.79Å; S507-L509 VanDerWaalsContact C-N 3.27Å; S507-L509 PolarHBondContact O-N 2.54Å; S507-I510 PolarHBondContact O-N 2.87Å; S507-Y511 WeakPolarHBondContact O-CD2 3.3Å; S507-Y511 PolarHBondContact O-N 3.26Å
508	G	85.1	Confident	86.8	Confident	45 Å²	45	45.2 Å²	45.2	46%	0.464	23%	0.23	S	C	.	.	H	α-helix	trans	-63.7	-25.6	176.5	0	0	0	0	0	114.4	Q504 I505 V506 R512	Q504-G508 PolarHBondContact O-N 3.41Å; I505-G508 CarbonylContact O-C 3.59Å; I505-G508 WeakPolarHBondContact O-CA 3.25Å; I505-G508 PolarHBondContact O-N 3.05Å; V506-G508 VanDerWaalsContact C-N 3.35Å; V506-G508 PolarHBondContact O-N 2.86Å; G508-R512 WeakPolarHBondContact O-CG 3.2Å
509	L	88.5	Confident	86.9	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-73.6	-45.9	175.2	-64	-171.4	0	0	0	112.3	L483 E486 L487 K490 I505 V506 S507 R512 V515	L483-L509 HydrophobicContact CD2-CB 4.37Å; E486-L509 HydrophobicContact CG-CD1 3.72Å; E486-L509 HydrophobicContact CG-CD2 3.66Å; E486-L509 HydrophobicContact CG-CG 4.33Å; E486-L509 WeakPolarHBondContact OE1-CD2 3.42Å; L487-L509 HydrophobicContact CB-CD1 4.23Å; K490-L509 HydrophobicContact CD-CD2 4.46Å; K490-L509 VanDerWaalsContact NZ-CD2 3.32Å; I505-L509 HydrophobicContact CG2-CD1 4.3Å; I505-L509 HydrophobicContact CG2-CD2 4.32Å; I505-L509 HydrophobicContact CG2-CG 4.1Å; I505-L509 VanDerWaalsContact O-CG 3.28Å; I505-L509 WeakPolarHBondContact O-CG 3.44Å; I505-L509 PolarHBondContact O-N 3.35Å; V506-L509 WeakPolarHBondContact O-CB 3.44Å; V506-L509 PolarHBondContact O-N 3.06Å; V506-L509 VanDerWaalsContact O-N 3.11Å; S507-L509 VanDerWaalsContact C-N 3.27Å; S507-L509 PolarHBondContact O-N 2.54Å; L509-R512 WeakPolarHBondContact O-CB 3.31Å; L509-R512 VanDerWaalsContact O-CG 3.31Å; L509-R512 WeakPolarHBondContact O-CG 3.38Å; L509-R512 PolarHBondContact O-N 3.44Å; L509-V515 WeakPolarHBondContact O-CB 3.4Å; L509-V515 WeakPolarHBondContact O-CG2 3.28Å
510	I	89	Confident	86.9	Confident	4 Å²	4	32.8 Å²	32.8	2%	0.021	18%	0.178	C	C	.	.	H	α-helix	trans	-66.1	-42.5	-173.9	-69.7	171.5	0	0	0	110.9	V506 S507 R512 V516 M519 P526 L529 F530 L533	V506-I510 HydrophobicContact CG1-CD1 3.94Å; V506-I510 WeakPolarHBondContact O-CG1 3.25Å; V506-I510 PolarHBondContact O-N 3.48Å; V506-I510 VanDerWaalsContact O-N 3.12Å; S507-I510 PolarHBondContact O-N 2.87Å; I510-R512 PolarHBondContact O-N 2.66Å; I510-R512 VanDerWaalsContact O-N 3.17Å; I510-V516 VanDerWaalsContact O-CG2 3.3Å; I510-V516 WeakPolarHBondContact O-CG2 3.35Å; I510-M519 HydrophobicContact CG2-CE 4.09Å; I510-M519 HydrophobicContact CG2-SD 3.91Å; I510-P526 HydrophobicContact CG2-CB 4.19Å; I510-L529 HydrophobicContact CD1-CG 4.46Å; I510-L529 HydrophobicContact CG1-CD2 4.15Å; I510-L529 HydrophobicContact CG1-CG 4.33Å; I510-F530 HydrophobicContact CD1-CB 3.67Å; I510-F530 HydrophobicContact CD1-CD2 3.81Å; I510-F530 HydrophobicContact CD1-CG 4.2Å; I510-L533 HydrophobicContact CD1-CD1 4.21Å; I510-L533 HydrophobicContact CG1-CD1 4.1Å
511	Y	86.7	Confident	86.6	Confident	65 Å²	65	27.8 Å²	27.8	26%	0.255	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	13.6	-176	-66.8	-64.9	0	0	0	114.2	S507 P513 L1093 P1099 I1103	S507-Y511 WeakPolarHBondContact O-CD2 3.3Å; S507-Y511 PolarHBondContact O-N 3.26Å; Y511-P513 WeakPolarHBondContact O-CD 3.38Å; Y511-L1093 HydrophobicContact CD1-CD2 4.25Å; Y511-P1099 HydrophobicContact CD1-CG 3.62Å; Y511-P1099 HydrophobicContact CE1-CB 4.09Å; Y511-P1099 HydrophobicContact CE1-CG 3.55Å; Y511-P1099 WeakPolarHBondContact CE1-O 3.48Å; Y511-P1099 HydrophobicContact CG-CG 4.4Å; Y511-P1099 PolarHBondContact OH-O 3.29Å; Y511-I1103 HydrophobicContact CD1-CD1 4.36Å
512	R	83.2	Confident	86.4	Confident	20 Å²	20	25.1 Å²	25.1	8%	0.075	14%	0.14	C	C	.	.	S	Bend	trans	-73	128.1	173.3	-67.3	-173.1	33.7	-134.5	-27	110.2	K132 L133 E486 G508 L509 I510 S514 V515 V516	K132-R512 PolarHBondContact O-NH2 2.95Å; L133-R512 HydrophobicContact CD1-CB 3.38Å; L133-R512 HydrophobicContact CD1-CG 3.28Å; L133-R512 HydrophobicContact CG-CB 4.05Å; L133-R512 HydrophobicContact CG-CG 4.32Å; E486-R512 IonicContact OE1-NH1 2.9Å; E486-R512 PolarHBondContact OE1-NH1 3.02Å; E486-R512 IonicContact OE2-NH1 3.37Å; E486-R512 PolarHBondContact OE2-NH1 3.28Å; G508-R512 WeakPolarHBondContact O-CG 3.2Å; L509-R512 WeakPolarHBondContact O-CB 3.31Å; L509-R512 VanDerWaalsContact O-CG 3.31Å; L509-R512 WeakPolarHBondContact O-CG 3.38Å; L509-R512 PolarHBondContact O-N 3.44Å; I510-R512 PolarHBondContact O-N 2.66Å; I510-R512 VanDerWaalsContact O-N 3.17Å; R512-S514 PolarHBondContact NH2-OG 3.38Å; R512-S514 PolarHBondContact O-N 3.05Å; R512-V515 HydrophobicContact CB-CB 4.09Å; R512-V515 HydrophobicContact CB-CG2 3.93Å; R512-V515 WeakPolarHBondContact O-CA 3.3Å; R512-V515 PolarHBondContact O-N 3Å; R512-V516 WeakPolarHBondContact O-CG2 3.47Å; R512-V516 PolarHBondContact O-N 3.43Å
513	P	83.1	Confident	86.1	Confident	13 Å²	13	26 Å²	26	8%	0.084	15%	0.149	C	C	.	.	H	α-helix	trans	-45.6	-41.9	179	-29.9	26.4	0	0	0	115.1	L133 Y511 L517 L1089 N1090 L1093	L133-P513 HydrophobicContact CD2-CB 3.93Å; L133-P513 HydrophobicContact CD2-CG 3.52Å; Y511-P513 WeakPolarHBondContact O-CD 3.38Å; P513-L517 WeakPolarHBondContact O-CB 3.34Å; P513-L517 WeakPolarHBondContact O-CG 3.45Å; P513-L517 PolarHBondContact O-N 3.48Å; P513-L1089 HydrophobicContact CB-CD2 4.35Å; P513-N1090 WeakPolarHBondContact CB-OD1 3.4Å; P513-N1090 WeakPolarHBondContact CG-OD1 3.08Å; P513-L1093 HydrophobicContact CB-CD1 4.25Å; P513-L1093 HydrophobicContact CG-CD1 3.66Å
514	S	77.5	Confident	85.8	Confident	11 Å²	11	24.1 Å²	24.1	8%	0.077	14%	0.139	C	C	.	.	H	α-helix	trans	-65.4	-40.9	176.9	63	0	0	0	0	113.3	R512 Q518	R512-S514 PolarHBondContact NH2-OG 3.38Å; R512-S514 PolarHBondContact O-N 3.05Å; S514-Q518 WeakPolarHBondContact O-CG 3.24Å; S514-Q518 PolarHBondContact O-N 2.96Å; S514-Q518 VanDerWaalsContact O-N 3.11Å
515	V	88	Confident	85.8	Confident	3 Å²	3	23.1 Å²	23.1	2%	0.018	14%	0.135	C	C	.	.	H	α-helix	trans	-73.2	-42.9	179.8	176	0	0	0	0	109.7	L479 L483 L509 R512 L517 Q518 M519	L479-V515 HydrophobicContact CD1-CG1 4.45Å; L483-V515 HydrophobicContact CD1-CG1 3.85Å; L483-V515 HydrophobicContact CD2-CG1 4.3Å; L483-V515 HydrophobicContact CD2-CG2 3.95Å; L509-V515 WeakPolarHBondContact O-CB 3.4Å; L509-V515 WeakPolarHBondContact O-CG2 3.28Å; R512-V515 HydrophobicContact CB-CB 4.09Å; R512-V515 HydrophobicContact CB-CG2 3.93Å; R512-V515 WeakPolarHBondContact O-CA 3.3Å; R512-V515 PolarHBondContact O-N 3Å; V515-L517 VanDerWaalsContact C-N 3.25Å; V515-L517 PolarHBondContact O-N 3.42Å; V515-Q518 CarbonylContact O-C 3.53Å; V515-Q518 PolarHBondContact O-N 2.92Å; V515-Q518 VanDerWaalsContact O-N 3.1Å; V515-M519 HydrophobicContact CG1-CG 4.23Å; V515-M519 HydrophobicContact CG1-SD 3.95Å; V515-M519 WeakPolarHBondContact O-CB 3.45Å; V515-M519 WeakPolarHBondContact O-CG 3.45Å; V515-M519 PolarHBondContact O-N 2.94Å
516	V	88.5	Confident	85.8	Confident	1 Å²	1	23 Å²	23	1%	0.006	14%	0.135	C	C	.	.	H	α-helix	trans	-55	-42.5	173.1	173.2	0	0	0	0	111.2	I510 R512 M519 Y520 L1089 I1103 I1107	I510-V516 VanDerWaalsContact O-CG2 3.3Å; I510-V516 WeakPolarHBondContact O-CG2 3.35Å; R512-V516 WeakPolarHBondContact O-CG2 3.47Å; R512-V516 PolarHBondContact O-N 3.43Å; V516-M519 WeakPolarHBondContact O-CB 3.11Å; V516-M519 PolarHBondContact O-N 2.97Å; V516-Y520 WeakPolarHBondContact O-CB 3.45Å; V516-Y520 PolarHBondContact O-N 2.99Å; V516-L1089 HydrophobicContact CG1-CD1 4.28Å; V516-I1103 HydrophobicContact CB-CD1 4.29Å; V516-I1103 HydrophobicContact CG1-CD1 3.58Å; V516-I1103 HydrophobicContact CG1-CG1 3.86Å; V516-I1103 HydrophobicContact CG2-CD1 3.67Å; V516-I1107 HydrophobicContact CG1-CD1 3.61Å
517	L	86	Confident	85.7	Confident	24 Å²	24	28.7 Å²	28.7	13%	0.126	16%	0.159	C	C	.	.	H	α-helix	trans	-68	-38.6	176.8	-79.4	172.8	0	0	0	113.2	P513 V515 Y520 A521 F1085 L1089 S1133	P513-L517 WeakPolarHBondContact O-CB 3.34Å; P513-L517 WeakPolarHBondContact O-CG 3.45Å; P513-L517 PolarHBondContact O-N 3.48Å; V515-L517 VanDerWaalsContact C-N 3.25Å; V515-L517 PolarHBondContact O-N 3.42Å; L517-Y520 PolarHBondContact O-N 2.87Å; L517-A521 PolarHBondContact O-N 3Å; L517-F1085 HydrophobicContact CD1-CE1 4.33Å; L517-F1085 HydrophobicContact CD2-CE1 3.42Å; L517-F1085 VanDerWaalsContact CD2-CE1 3.42Å; L517-F1085 HydrophobicContact CD2-CZ 3.71Å; L517-F1085 HydrophobicContact CG-CE1 4.32Å; L517-L1089 HydrophobicContact CD1-CD2 4.4Å; L517-L1089 HydrophobicContact CD2-CD2 4.33Å; L517-L1089 HydrophobicContact CG-CD2 4.06Å; L517-S1133 WeakPolarHBondContact O-CB 3.44Å
518	Q	84.8	Confident	85.9	Confident	67 Å²	67	29.6 Å²	29.6	31%	0.313	16%	0.163	S	C	.	.	H	α-helix	trans	-66.6	-41	173.9	-72.6	171.5	-8.1	0	0	111.3	L479 S514 V515 A521 S522	L479-Q518 HydrophobicContact CD1-CB 4.01Å; L479-Q518 HydrophobicContact CD2-CB 4.17Å; S514-Q518 WeakPolarHBondContact O-CG 3.24Å; S514-Q518 PolarHBondContact O-N 2.96Å; S514-Q518 VanDerWaalsContact O-N 3.11Å; V515-Q518 CarbonylContact O-C 3.53Å; V515-Q518 PolarHBondContact O-N 2.92Å; V515-Q518 VanDerWaalsContact O-N 3.1Å; Q518-A521 PolarHBondContact O-N 3.26Å; Q518-S522 VanDerWaalsContact O-CB 3.31Å; Q518-S522 WeakPolarHBondContact O-CB 3.37Å; Q518-S522 PolarHBondContact O-N 3.3Å; Q518-S522 PolarHBondContact O-OG 3.43Å; Q518-S522 VanDerWaalsContact O-OG 3.04Å
519	M	87.8	Confident	86.2	Confident	1 Å²	1	27.4 Å²	27.4	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-58.7	-49.6	174.2	-70.6	167	56.6	0	0	110.6	L479 I510 V515 V516 A521 S522 G523 I524 P526 L529	L479-M519 HydrophobicContact CD2-CG 3.78Å; I510-M519 HydrophobicContact CG2-CE 4.09Å; I510-M519 HydrophobicContact CG2-SD 3.91Å; V515-M519 HydrophobicContact CG1-CG 4.23Å; V515-M519 HydrophobicContact CG1-SD 3.95Å; V515-M519 WeakPolarHBondContact O-CB 3.45Å; V515-M519 WeakPolarHBondContact O-CG 3.45Å; V515-M519 PolarHBondContact O-N 2.94Å; V516-M519 WeakPolarHBondContact O-CB 3.11Å; V516-M519 PolarHBondContact O-N 2.97Å; M519-A521 PolarHBondContact O-N 3.49Å; M519-S522 WeakPolarHBondContact CA-OG 3.29Å; M519-S522 PolarHBondContact O-N 3.24Å; M519-S522 PolarHBondContact O-OG 2.7Å; M519-G523 PolarHBondContact O-N 2.76Å; M519-I524 HydrophobicContact CB-CG2 3.88Å; M519-I524 HydrophobicContact CG-CG2 3.81Å; M519-I524 PolarHBondContact O-N 2.58Å; M519-P526 HydrophobicContact CE-CB 3.67Å; M519-P526 HydrophobicContact CE-CG 3.51Å; M519-L529 HydrophobicContact CE-CD2 4.23Å; M519-L529 HydrophobicContact CG-CD2 3.67Å; M519-L529 HydrophobicContact SD-CD2 3.57Å; M519-L529 VanDerWaalsContact SD-CD2 3.57Å
520	Y	86.6	Confident	86.4	Confident	3 Å²	3	30.1 Å²	30.1	1%	0.012	15%	0.153	C	C	.	.	H	α-helix	trans	-54.4	-52.2	173.6	173.1	-98.4	0	0	0	111.2	V516 L517 S522 G523 I1104 I1107 N1108 S1133 Y1137 Q1138	V516-Y520 WeakPolarHBondContact O-CB 3.45Å; V516-Y520 PolarHBondContact O-N 2.99Å; L517-Y520 PolarHBondContact O-N 2.87Å; Y520-S522 VanDerWaalsContact C-N 3.26Å; Y520-S522 PolarHBondContact O-N 3.07Å; Y520-G523 PolarHBondContact O-N 3.21Å; Y520-I1104 HydrophobicContact CD2-CG2 4.46Å; Y520-I1107 HydrophobicContact CD1-CG2 4.35Å; Y520-I1107 HydrophobicContact CD2-CB 4.23Å; Y520-I1107 HydrophobicContact CD2-CG2 3.6Å; Y520-I1107 HydrophobicContact CE1-CG2 4.32Å; Y520-I1107 HydrophobicContact CE2-CB 4.42Å; Y520-I1107 HydrophobicContact CE2-CG2 3.55Å; Y520-I1107 HydrophobicContact CG-CG2 4Å; Y520-N1108 WeakPolarHBondContact CE2-OD1 3.32Å; Y520-S1133 WeakPolarHBondContact CD1-O 3.42Å; Y520-S1133 VanDerWaalsContact CE1-O 3.22Å; Y520-S1133 WeakPolarHBondContact CE1-O 3.2Å; Y520-Y1137 AromaticContact CE1-CD2 3.99Å; Y520-Y1137 HydrophobicContact CE1-CD2 3.99Å; Y520-Y1137 HydrophobicContact CE1-CE2 4.43Å; Y520-Y1137 AromaticContact CE2-CD2 3.93Å; Y520-Y1137 HydrophobicContact CE2-CD2 3.93Å; Y520-Y1137 HydrophobicContact CE2-CE2 4.34Å; Y520-Y1137 AromaticContact CZ-CD2 3.63Å; Y520-Y1137 WeakPolarHBondContact O-CE2 3.33Å; Y520-Y1137 PolarHBondContact O-OH 2.79Å; Y520-Q1138 PolarHBondContact OH-NE2 3.03Å
521	A	82.9	Confident	86.6	Confident	21 Å²	21	32.5 Å²	32.5	17%	0.174	17%	0.173	C	C	.	.	H	α-helix	trans	-63.7	-28.7	-179.9	0	0	0	0	0	114.3	L517 Q518 M519 T1136 Y1137	L517-A521 PolarHBondContact O-N 3Å; Q518-A521 PolarHBondContact O-N 3.26Å; M519-A521 PolarHBondContact O-N 3.49Å; A521-T1136 HydrophobicContact CB-CG2 4.36Å; A521-Y1137 PolarHBondContact O-OH 3.37Å; A521-Y1137 VanDerWaalsContact O-OH 3.11Å
522	S	82.3	Confident	86.9	Confident	4 Å²	4	32.8 Å²	32.8	3%	0.028	18%	0.176	C	C	.	.	H	α-helix	trans	-83.9	-25.5	178.1	68.1	0	0	0	0	113.5	D476 Q518 M519 Y520 I524	D476-S522 WeakPolarHBondContact OD1-CB 3.39Å; D476-S522 PolarHBondContact OD1-OG 2.57Å; Q518-S522 VanDerWaalsContact O-CB 3.31Å; Q518-S522 WeakPolarHBondContact O-CB 3.37Å; Q518-S522 PolarHBondContact O-N 3.3Å; Q518-S522 PolarHBondContact O-OG 3.43Å; Q518-S522 VanDerWaalsContact O-OG 3.04Å; M519-S522 WeakPolarHBondContact CA-OG 3.29Å; M519-S522 PolarHBondContact O-N 3.24Å; M519-S522 PolarHBondContact O-OG 2.7Å; Y520-S522 VanDerWaalsContact C-N 3.26Å; Y520-S522 PolarHBondContact O-N 3.07Å; S522-I524 VanDerWaalsContact OG-CG2 3.26Å; S522-I524 WeakPolarHBondContact OG-CG2 3.32Å; S522-I524 PolarHBondContact OG-N 3.15Å
523	G	82.7	Confident	87.4	Confident	19 Å²	19	31.9 Å²	31.9	20%	0.196	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	6.1	-175.2	0	0	0	0	0	114.7	M519 Y520 Y1137	M519-G523 PolarHBondContact O-N 2.76Å; Y520-G523 PolarHBondContact O-N 3.21Å; G523-Y1137 PolarHBondContact N-OH 3.43Å
524	I	85.9	Confident	88	Confident	7 Å²	7	35.4 Å²	35.4	4%	0.036	19%	0.188	C	C	.	.			trans	-77.1	129.1	178.6	-163.6	170.7	0	0	0	112.3	L479 M519 S522 T528 L529 K532	L479-I524 HydrophobicContact CD2-CG2 4.13Å; M519-I524 HydrophobicContact CB-CG2 3.88Å; M519-I524 HydrophobicContact CG-CG2 3.81Å; M519-I524 PolarHBondContact O-N 2.58Å; S522-I524 VanDerWaalsContact OG-CG2 3.26Å; S522-I524 WeakPolarHBondContact OG-CG2 3.32Å; S522-I524 PolarHBondContact OG-N 3.15Å; I524-T528 HydrophobicContact CG1-CG2 4.3Å; I524-L529 HydrophobicContact CD1-CB 3.98Å; I524-L529 HydrophobicContact CD1-CD1 4.09Å; I524-L529 HydrophobicContact CG1-CB 4.28Å; I524-K532 HydrophobicContact CD1-CD 4.14Å
525	E	86.7	Confident	88.7	Confident	118 Å²	118	39.7 Å²	39.7	55%	0.551	21%	0.207	S	C	*	.			trans	-71.3	146	174.8	-68.4	-169.6	174.9	0	0	112.5	K527 T528 L529	E525-K527 VanDerWaalsContact C-N 3.29Å; E525-K527 PolarHBondContact O-N 3.38Å; E525-T528 PolarHBondContact O-N 3.4Å; E525-T528 VanDerWaalsContact O-N 3.15Å; E525-L529 PolarHBondContact O-N 2.85Å
526	P	88.7	Confident	89	Confident	12 Å²	12	40.1 Å²	40.1	8%	0.078	21%	0.208	C	C	.	.	H	α-helix	trans	-55.1	-39.3	176.7	-21.2	27.2	0	0	0	114.5	I510 M519 L529 F530 I1103 I1104	I510-P526 HydrophobicContact CG2-CB 4.19Å; M519-P526 HydrophobicContact CE-CB 3.67Å; M519-P526 HydrophobicContact CE-CG 3.51Å; P526-L529 PolarHBondContact O-N 3.37Å; P526-F530 VanDerWaalsContact O-CB 3.32Å; P526-F530 WeakPolarHBondContact O-CB 3.32Å; P526-F530 PolarHBondContact O-N 2.89Å; P526-I1103 HydrophobicContact CG-CG2 3.67Å; P526-I1104 HydrophobicContact CG-CG1 4.47Å
527	K	88.7	Confident	89.2	Confident	120 Å²	120	40.4 Å²	40.4	52%	0.522	21%	0.21	S	C	.	.	H	α-helix	trans	-64.1	-46.1	177.2	-78.7	171.2	154.5	167.3	0	111.8	E525 L529 F530 A531 N1101	E525-K527 VanDerWaalsContact C-N 3.29Å; E525-K527 PolarHBondContact O-N 3.38Å; K527-L529 VanDerWaalsContact C-N 3.35Å; K527-F530 WeakPolarHBondContact O-CB 3.35Å; K527-F530 PolarHBondContact O-N 3.04Å; K527-A531 WeakPolarHBondContact O-CB 3.29Å; K527-A531 PolarHBondContact O-N 2.94Å; K527-N1101 WeakPolarHBondContact CD-OD1 3.39Å; K527-N1101 WeakPolarHBondContact CE-ND2 3.28Å; K527-N1101 WeakPolarHBondContact CE-OD1 3.49Å; K527-N1101 WeakPolarHBondContact CG-OD1 3.45Å; K527-N1101 PolarHBondContact NZ-ND2 3.49Å
528	T	91	Very high	89.5	Confident	63 Å²	63	41.9 Å²	41.9	39%	0.387	22%	0.221	S	C	.	.	H	α-helix	trans	-63.6	-42.7	178.6	-56.4	0	0	0	0	110.9	I524 E525 K532	I524-T528 HydrophobicContact CG1-CG2 4.3Å; E525-T528 PolarHBondContact O-N 3.4Å; E525-T528 VanDerWaalsContact O-N 3.15Å; T528-K532 WeakPolarHBondContact O-CB 3.49Å; T528-K532 WeakPolarHBondContact O-CG 3.41Å; T528-K532 PolarHBondContact O-N 2.99Å
529	L	91.5	Very high	89.8	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.6	-41.4	174.8	-177.7	59.9	0	0	0	111.8	L479 L483 I510 M519 I524 E525 P526 K527 K532 L533	L479-L529 HydrophobicContact CD2-CD2 4.44Å; L483-L529 HydrophobicContact CD1-CD1 4.16Å; L483-L529 HydrophobicContact CD1-CD2 3.77Å; L483-L529 HydrophobicContact CD1-CG 4.34Å; I510-L529 HydrophobicContact CD1-CG 4.46Å; I510-L529 HydrophobicContact CG1-CD2 4.15Å; I510-L529 HydrophobicContact CG1-CG 4.33Å; M519-L529 HydrophobicContact CE-CD2 4.23Å; M519-L529 HydrophobicContact CG-CD2 3.67Å; M519-L529 HydrophobicContact SD-CD2 3.57Å; M519-L529 VanDerWaalsContact SD-CD2 3.57Å; I524-L529 HydrophobicContact CD1-CB 3.98Å; I524-L529 HydrophobicContact CD1-CD1 4.09Å; I524-L529 HydrophobicContact CG1-CB 4.28Å; E525-L529 PolarHBondContact O-N 2.85Å; P526-L529 PolarHBondContact O-N 3.37Å; K527-L529 VanDerWaalsContact C-N 3.35Å; L529-K532 PolarHBondContact O-N 2.82Å; L529-L533 HydrophobicContact CD1-CD1 4.36Å; L529-L533 HydrophobicContact CD1-CG 4.26Å; L529-L533 HydrophobicContact CG-CD1 4.22Å; L529-L533 WeakPolarHBondContact O-CG 3.32Å; L529-L533 PolarHBondContact O-N 3.47Å
530	F	93.1	Very high	90	Very high	56 Å²	56	41.3 Å²	41.3	25%	0.246	22%	0.218	C	C	.	.	H	α-helix	trans	-58	-51.7	174.9	-172.8	-79.9	0	0	0	111.3	L503 V506 I510 P526 K527 K532 L533 E534	L503-F530 HydrophobicContact CD2-CZ 4.16Å; V506-F530 HydrophobicContact CB-CE2 4.39Å; V506-F530 HydrophobicContact CG1-CD2 3.68Å; V506-F530 HydrophobicContact CG1-CE2 3.77Å; V506-F530 HydrophobicContact CG1-CG 4.32Å; V506-F530 HydrophobicContact CG1-CZ 4.48Å; I510-F530 HydrophobicContact CD1-CB 3.67Å; I510-F530 HydrophobicContact CD1-CD2 3.81Å; I510-F530 HydrophobicContact CD1-CG 4.2Å; P526-F530 VanDerWaalsContact O-CB 3.32Å; P526-F530 WeakPolarHBondContact O-CB 3.32Å; P526-F530 PolarHBondContact O-N 2.89Å; K527-F530 WeakPolarHBondContact O-CB 3.35Å; K527-F530 PolarHBondContact O-N 3.04Å; F530-K532 VanDerWaalsContact C-N 3.32Å; F530-K532 PolarHBondContact O-N 3.02Å; F530-L533 PolarHBondContact O-N 2.93Å; F530-L533 VanDerWaalsContact O-N 3.1Å; F530-E534 HydrophobicContact CD1-CB 4.36Å; F530-E534 HydrophobicContact CE1-CB 4.24Å; F530-E534 VanDerWaalsContact O-CB 3.32Å; F530-E534 WeakPolarHBondContact O-CB 3.11Å; F530-E534 PolarHBondContact O-N 2.89Å
531	A	93.1	Very high	90.1	Very high	55 Å²	55	42.4 Å²	42.4	46%	0.455	22%	0.223	S	C	.	.	H	α-helix	trans	-59.6	-41.6	178.8	0	0	0	0	0	112	K527 L533 E534 E535	K527-A531 WeakPolarHBondContact O-CB 3.29Å; K527-A531 PolarHBondContact O-N 2.94Å; A531-L533 PolarHBondContact O-N 2.96Å; A531-E534 PolarHBondContact O-N 3.33Å; A531-E535 PolarHBondContact O-N 3.37Å
532	K	92.8	Very high	90.4	Very high	71 Å²	71	44.2 Å²	44.2	31%	0.309	23%	0.229	S	C	.	.	H	α-helix	trans	-60.7	-41.9	174.3	-76.9	178.8	-178.5	178.3	0	112.1	T480 I524 T528 L529 F530 F536	T480-K532 HydrophobicContact CG2-CB 4.17Å; T480-K532 HydrophobicContact CG2-CD 4.42Å; I524-K532 HydrophobicContact CD1-CD 4.14Å; T528-K532 WeakPolarHBondContact O-CB 3.49Å; T528-K532 WeakPolarHBondContact O-CG 3.41Å; T528-K532 PolarHBondContact O-N 2.99Å; L529-K532 PolarHBondContact O-N 2.82Å; F530-K532 VanDerWaalsContact C-N 3.32Å; F530-K532 PolarHBondContact O-N 3.02Å; K532-F536 WeakPolarHBondContact O-CD2 3.32Å
533	L	94.3	Very high	90.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-73.1	-39.2	178.6	-68	177.7	0	0	0	112.2	L483 V484 V506 I510 L529 F530 A531 E535 F536 V537	L483-L533 HydrophobicContact CB-CD1 4.19Å; L483-L533 HydrophobicContact CB-CD2 3.82Å; L483-L533 HydrophobicContact CD1-CD1 4.17Å; V484-L533 HydrophobicContact CG2-CD2 3.54Å; V506-L533 HydrophobicContact CG1-CB 3.84Å; V506-L533 HydrophobicContact CG1-CD1 3.95Å; V506-L533 HydrophobicContact CG2-CB 4.25Å; I510-L533 HydrophobicContact CD1-CD1 4.21Å; I510-L533 HydrophobicContact CG1-CD1 4.1Å; L529-L533 HydrophobicContact CD1-CD1 4.36Å; L529-L533 HydrophobicContact CD1-CG 4.26Å; L529-L533 HydrophobicContact CG-CD1 4.22Å; L529-L533 WeakPolarHBondContact O-CG 3.32Å; L529-L533 PolarHBondContact O-N 3.47Å; F530-L533 PolarHBondContact O-N 2.93Å; F530-L533 VanDerWaalsContact O-N 3.1Å; A531-L533 PolarHBondContact O-N 2.96Å; L533-E535 VanDerWaalsContact C-N 3.28Å; L533-E535 PolarHBondContact O-N 2.81Å; L533-F536 PolarHBondContact O-N 2.88Å; L533-F536 VanDerWaalsContact O-N 3.09Å; L533-V537 PolarHBondContact O-N 3Å
534	E	94.9	Very high	90.9	Very high	88 Å²	88	44 Å²	44	41%	0.411	22%	0.222	S	C	.	.	H	α-helix	trans	-59.1	-38.6	175.9	-178.1	174.3	-147.2	0	0	111.6	L503 F530 A531 F536 V537 P538	L503-E534 HydrophobicContact CD2-CG 4.11Å; F530-E534 HydrophobicContact CD1-CB 4.36Å; F530-E534 HydrophobicContact CE1-CB 4.24Å; F530-E534 VanDerWaalsContact O-CB 3.32Å; F530-E534 WeakPolarHBondContact O-CB 3.11Å; F530-E534 PolarHBondContact O-N 2.89Å; A531-E534 PolarHBondContact O-N 3.33Å; E534-F536 PolarHBondContact O-N 3.34Å; E534-F536 VanDerWaalsContact O-N 3.13Å; E534-V537 WeakPolarHBondContact O-CB 3.32Å; E534-V537 PolarHBondContact O-N 3.19Å; E534-P538 WeakPolarHBondContact O-CD 3.34Å
535	E	93	Very high	90.8	Very high	101 Å²	101	49.1 Å²	49.1	47%	0.472	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-28.5	175.5	-162.1	-153.1	132.9	0	0	113.1	A531 L533 K539	A531-E535 PolarHBondContact O-N 3.37Å; L533-E535 VanDerWaalsContact C-N 3.28Å; L533-E535 PolarHBondContact O-N 2.81Å; E535-K539 WeakPolarHBondContact O-CE 3.35Å; E535-K539 IonicContact OE1-NZ 3.68Å; E535-K539 PolarHBondContact OE1-NZ 2.94Å
536	F	93.5	Very high	90.6	Very high	11 Å²	11	44.8 Å²	44.8	5%	0.048	23%	0.228	C	C	.	.	H	α-helix	trans	-86.1	-18.7	176.8	-73.4	-88.2	0	0	0	113.2	V484 K532 L533 E534 K539 I540 L661 K662	V484-F536 HydrophobicContact CG1-CB 4.26Å; V484-F536 HydrophobicContact CG1-CD1 3.99Å; V484-F536 HydrophobicContact CG1-CD2 4.47Å; V484-F536 HydrophobicContact CG1-CE1 4.43Å; V484-F536 HydrophobicContact CG1-CG 4Å; V484-F536 HydrophobicContact CG2-CB 4.41Å; V484-F536 HydrophobicContact CG2-CD2 3.66Å; V484-F536 HydrophobicContact CG2-CE2 4Å; V484-F536 HydrophobicContact CG2-CG 3.98Å; K532-F536 WeakPolarHBondContact O-CD2 3.32Å; L533-F536 PolarHBondContact O-N 2.88Å; L533-F536 VanDerWaalsContact O-N 3.09Å; E534-F536 PolarHBondContact O-N 3.34Å; E534-F536 VanDerWaalsContact O-N 3.13Å; F536-K539 HydrophobicContact CD1-CD 4.23Å; F536-K539 PolarHBondContact O-N 3.02Å; F536-K539 VanDerWaalsContact O-N 3.12Å; F536-I540 HydrophobicContact CB-CD1 4.35Å; F536-I540 VanDerWaalsContact O-CG1 3.26Å; F536-I540 WeakPolarHBondContact O-CG1 3.46Å; F536-I540 PolarHBondContact O-N 2.88Å; F536-L661 HydrophobicContact CD1-CB 4.21Å; F536-L661 HydrophobicContact CD1-CD1 4.28Å; F536-L661 HydrophobicContact CE1-CB 4.33Å; F536-K662 HydrophobicContact CE1-CG 4.05Å; F536-K662 VanDerWaalsContact CZ-CE 3.46Å
537	V	93.7	Very high	90.5	Very high	7 Å²	7	45.1 Å²	45.1	4%	0.042	23%	0.228	C	C	.	.	H	α-helix	trans	-56.4	-53.2	-178.1	173.7	0	0	0	0	111.1	L487 A502 L503 V506 L533 E534 K539 I540 F541	L487-V537 HydrophobicContact CD2-CG2 4.09Å; A502-V537 HydrophobicContact CB-CG1 4.06Å; L503-V537 HydrophobicContact CD2-CG2 4.41Å; V506-V537 HydrophobicContact CG2-CG2 4.32Å; L533-V537 PolarHBondContact O-N 3Å; E534-V537 WeakPolarHBondContact O-CB 3.32Å; E534-V537 PolarHBondContact O-N 3.19Å; V537-K539 VanDerWaalsContact C-N 3.29Å; V537-K539 PolarHBondContact O-N 2.91Å; V537-I540 PolarHBondContact O-N 2.76Å; V537-F541 HydrophobicContact CG1-CD2 3.71Å; V537-F541 HydrophobicContact CG1-CE2 3.74Å; V537-F541 VanDerWaalsContact O-CD2 3.32Å; V537-F541 WeakPolarHBondContact O-CD2 3.34Å; V537-F541 PolarHBondContact O-N 2.93Å
538	P	91.6	Very high	90.3	Very high	56 Å²	56	39.5 Å²	39.5	36%	0.364	20%	0.204	S	C	.	.	H	α-helix	trans	-58	-39.6	176.5	-23.6	33.9	0	0	0	113.2	E534 I540 F541 D542	E534-P538 WeakPolarHBondContact O-CD 3.34Å; P538-I540 VanDerWaalsContact C-N 3.34Å; P538-I540 PolarHBondContact O-N 3.31Å; P538-F541 PolarHBondContact O-N 2.95Å; P538-D542 WeakPolarHBondContact O-CB 3.33Å; P538-D542 VanDerWaalsContact O-CG 3.28Å; P538-D542 PolarHBondContact O-N 2.78Å
539	K	90.8	Very high	89.6	Confident	55 Å²	55	39 Å²	39	24%	0.239	20%	0.199	C	C	.	.	H	α-helix	trans	-64.7	-38.9	-179.6	-57.9	178.6	-168.9	169.4	0	111.9	E535 F536 V537 W543	E535-K539 WeakPolarHBondContact O-CE 3.35Å; E535-K539 IonicContact OE1-NZ 3.68Å; E535-K539 PolarHBondContact OE1-NZ 2.94Å; F536-K539 HydrophobicContact CD1-CD 4.23Å; F536-K539 PolarHBondContact O-N 3.02Å; F536-K539 VanDerWaalsContact O-N 3.12Å; V537-K539 VanDerWaalsContact C-N 3.29Å; V537-K539 PolarHBondContact O-N 2.91Å; K539-W543 WeakPolarHBondContact O-CB 3.17Å; K539-W543 PolarHBondContact O-N 2.87Å; K539-W543 VanDerWaalsContact O-N 3.08Å
540	I	91.6	Very high	88.6	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-68	-43.1	175.8	-61.2	167.7	0	0	0	110.1	L487 F488 I491 F536 V537 P538 W543 T544 L661	L487-I540 HydrophobicContact CD2-CD1 3.92Å; L487-I540 HydrophobicContact CG-CD1 3.97Å; F488-I540 HydrophobicContact CB-CD1 4.24Å; F488-I540 HydrophobicContact CD2-CG1 4.12Å; F488-I540 HydrophobicContact CD2-CG2 3.83Å; F488-I540 HydrophobicContact CE2-CG2 4.44Å; I491-I540 HydrophobicContact CB-CG2 4.13Å; I491-I540 HydrophobicContact CD1-CB 4.28Å; I491-I540 HydrophobicContact CD1-CD1 4.09Å; I491-I540 HydrophobicContact CD1-CG2 3.73Å; I491-I540 HydrophobicContact CG2-CG2 3.82Å; F536-I540 HydrophobicContact CB-CD1 4.35Å; F536-I540 VanDerWaalsContact O-CG1 3.26Å; F536-I540 WeakPolarHBondContact O-CG1 3.46Å; F536-I540 PolarHBondContact O-N 2.88Å; V537-I540 PolarHBondContact O-N 2.76Å; P538-I540 VanDerWaalsContact C-N 3.34Å; P538-I540 PolarHBondContact O-N 3.31Å; I540-W543 WeakPolarHBondContact O-CB 3.22Å; I540-W543 PolarHBondContact O-N 2.91Å; I540-T544 HydrophobicContact CG2-CG2 4.45Å; I540-T544 WeakPolarHBondContact O-CG2 3.4Å; I540-T544 PolarHBondContact O-N 2.78Å; I540-T544 PolarHBondContact O-OG1 3.1Å; I540-L661 HydrophobicContact CG1-CD1 4.33Å; I540-L661 HydrophobicContact CG1-CD2 4.41Å
541	F	90.2	Very high	87.1	Confident	27 Å²	27	42.7 Å²	42.7	12%	0.118	22%	0.216	C	C	.	.	H	α-helix	trans	-64.5	-40.8	176.5	-88.2	-79.8	0	0	0	113	I497 R499 A502 V537 P538 W543 T544 Q545	I497-F541 HydrophobicContact CG2-CE1 4.33Å; I497-F541 HydrophobicContact CG2-CZ 4.28Å; I497-F541 VanDerWaalsContact O-CE1 3.29Å; I497-F541 WeakPolarHBondContact O-CE1 3.49Å; R499-F541 HydrophobicContact CB-CE2 4.42Å; R499-F541 HydrophobicContact CG-CD2 4.04Å; R499-F541 HydrophobicContact CG-CE1 4.49Å; R499-F541 HydrophobicContact CG-CE2 3.86Å; R499-F541 HydrophobicContact CG-CG 4.45Å; R499-F541 HydrophobicContact CG-CZ 4.12Å; A502-F541 HydrophobicContact CB-CE2 3.76Å; A502-F541 HydrophobicContact CB-CZ 4.25Å; V537-F541 HydrophobicContact CG1-CD2 3.71Å; V537-F541 HydrophobicContact CG1-CE2 3.74Å; V537-F541 VanDerWaalsContact O-CD2 3.32Å; V537-F541 WeakPolarHBondContact O-CD2 3.34Å; V537-F541 PolarHBondContact O-N 2.93Å; P538-F541 PolarHBondContact O-N 2.95Å; F541-W543 VanDerWaalsContact C-N 3.27Å; F541-W543 PolarHBondContact O-N 2.88Å; F541-T544 WeakPolarHBondContact CA-OG1 3.4Å; F541-T544 PolarHBondContact O-N 2.78Å; F541-T544 PolarHBondContact O-OG1 2.86Å; F541-Q545 WeakPolarHBondContact O-CB 3.31Å; F541-Q545 PolarHBondContact O-N 3.23Å
542	D	87.6	Confident	85.7	Confident	59 Å²	59	43.1 Å²	43.1	32%	0.316	21%	0.211	S	C	.	.	H	α-helix	trans	-61.2	-40.7	174.6	-73.3	-7.2	0	0	0	110.4	P538 T546 I665	P538-D542 WeakPolarHBondContact O-CB 3.33Å; P538-D542 VanDerWaalsContact O-CG 3.28Å; P538-D542 PolarHBondContact O-N 2.78Å; D542-T546 WeakPolarHBondContact O-CB 3.47Å; D542-T546 PolarHBondContact O-N 3.47Å; D542-T546 PolarHBondContact O-OG1 3.36Å; D542-I665 HydrophobicContact CB-CD1 3.74Å
543	W	88.2	Confident	84	Confident	15 Å²	15	44.8 Å²	44.8	6%	0.057	23%	0.229	C	C	.	.	H	α-helix	trans	-65	-46.1	174.8	-173.9	93.1	0	0	0	112.2	F488 I492 K539 I540 F541 Q545 T546 H547 V566 M610 W657	F488-W543 AromaticContact CE2-CD2 3.86Å; F488-W543 HydrophobicContact CE2-CD2 3.86Å; F488-W543 AromaticContact CE2-CE3 3.64Å; F488-W543 HydrophobicContact CE2-CE3 3.64Å; F488-W543 HydrophobicContact CE2-CG 4.42Å; F488-W543 HydrophobicContact CE2-CH2 4.45Å; F488-W543 AromaticContact CE2-CZ3 3.97Å; F488-W543 HydrophobicContact CE2-CZ3 3.97Å; F488-W543 HydrophobicContact CZ-CD2 4.05Å; F488-W543 AromaticContact CZ-CE3 3.73Å; F488-W543 HydrophobicContact CZ-CE3 3.73Å; F488-W543 AromaticContact CZ-CH2 3.72Å; F488-W543 HydrophobicContact CZ-CH2 3.72Å; F488-W543 HydrophobicContact CZ-CZ2 4.02Å; F488-W543 AromaticContact CZ-CZ3 3.57Å; F488-W543 HydrophobicContact CZ-CZ3 3.57Å; I492-W543 HydrophobicContact CG2-CE3 4.39Å; I492-W543 HydrophobicContact CG2-CZ3 3.78Å; K539-W543 WeakPolarHBondContact O-CB 3.17Å; K539-W543 PolarHBondContact O-N 2.87Å; K539-W543 VanDerWaalsContact O-N 3.08Å; I540-W543 WeakPolarHBondContact O-CB 3.22Å; I540-W543 PolarHBondContact O-N 2.91Å; F541-W543 VanDerWaalsContact C-N 3.27Å; F541-W543 PolarHBondContact O-N 2.88Å; W543-Q545 PolarHBondContact O-N 3.14Å; W543-T546 PolarHBondContact O-N 3.12Å; W543-H547 AromaticContact CD1-CD2 3.55Å; W543-H547 AromaticContact CE2-CD2 3.73Å; W543-H547 AromaticContact CG-CD2 3.91Å; W543-H547 HydrophobicContact CZ2-CB 4.43Å; W543-H547 AromaticContact NE1-CD2 3.42Å; W543-H547 PolarHBondContact NE1-CD2 2.86Å; W543-H547 AromaticContact NE1-NE2 3.93Å; W543-H547 PolarHBondContact O-CD2 3.27Å; W543-H547 PolarHBondContact O-N 3.19Å; W543-V566 HydrophobicContact CH2-CG2 4.07Å; W543-M610 HydrophobicContact CH2-SD 4.37Å; W543-M610 HydrophobicContact CZ2-SD 4.01Å; W543-W657 HydrophobicContact CH2-CZ3 4.44Å; W543-W657 HydrophobicContact CZ2-CE3 4.49Å; W543-W657 AromaticContact CZ2-CH2 3.63Å; W543-W657 HydrophobicContact CZ2-CH2 3.63Å; W543-W657 HydrophobicContact CZ2-CZ2 4.32Å; W543-W657 AromaticContact CZ2-CZ3 3.74Å; W543-W657 HydrophobicContact CZ2-CZ3 3.74Å
544	T	87.7	Confident	82	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.012	27%	0.269	C	S	.	.	H	α-helix	trans	-67.1	-37	179.5	56.7	0	0	0	0	112.4	I491 I492 I540 F541 T546 C548	I491-T544 HydrophobicContact CG2-CG2 4.07Å; I492-T544 HydrophobicContact CG2-CG2 4.1Å; I540-T544 HydrophobicContact CG2-CG2 4.45Å; I540-T544 WeakPolarHBondContact O-CG2 3.4Å; I540-T544 PolarHBondContact O-N 2.78Å; I540-T544 PolarHBondContact O-OG1 3.1Å; F541-T544 WeakPolarHBondContact CA-OG1 3.4Å; F541-T544 PolarHBondContact O-N 2.78Å; F541-T544 PolarHBondContact O-OG1 2.86Å; T544-T546 VanDerWaalsContact C-N 3.3Å; T544-C548 WeakPolarHBondContact O-CA 3.43Å; T544-C548 WeakPolarHBondContact O-CB 3.44Å; T544-C548 PolarHBondContact O-N 2.72Å
545	Q	84.7	Confident	79.6	Confident	116 Å²	116	57.7 Å²	57.7	54%	0.542	29%	0.292	S	S	.	.	H	α-helix	trans	-67.6	-33.1	175.4	-171.6	173.8	19.2	0	0	112	F541 W543	F541-Q545 WeakPolarHBondContact O-CB 3.31Å; F541-Q545 PolarHBondContact O-N 3.23Å; W543-Q545 PolarHBondContact O-N 3.14Å
546	T	82.8	Confident	77	Confident	27 Å²	27	60.9 Å²	60.9	17%	0.166	31%	0.312	C	S	.	.	H	α-helix	trans	-75	-40.3	178.6	-57.5	0	0	0	0	111.8	D542 W543 T544	D542-T546 WeakPolarHBondContact O-CB 3.47Å; D542-T546 PolarHBondContact O-N 3.47Å; D542-T546 PolarHBondContact O-OG1 3.36Å; W543-T546 PolarHBondContact O-N 3.12Å; T544-T546 VanDerWaalsContact C-N 3.3Å
547	H	86.4	Confident	74.6	Confident	18 Å²	18	63.4 Å²	63.4	8%	0.083	34%	0.342	C	S	.	.	H	α-helix	trans	-112.6	-31.6	-167.1	-63.6	-66.1	0	0	0	114.9	W543 V564 K565 V566 W657	W543-H547 AromaticContact CD1-CD2 3.55Å; W543-H547 AromaticContact CE2-CD2 3.73Å; W543-H547 AromaticContact CG-CD2 3.91Å; W543-H547 HydrophobicContact CZ2-CB 4.43Å; W543-H547 AromaticContact NE1-CD2 3.42Å; W543-H547 PolarHBondContact NE1-CD2 2.86Å; W543-H547 AromaticContact NE1-NE2 3.93Å; W543-H547 PolarHBondContact O-CD2 3.27Å; W543-H547 PolarHBondContact O-N 3.19Å; H547-V564 PolarHBondContact ND1-O 2.88Å; H547-K565 CarbonylContact O-C 3.57Å; H547-K565 WeakPolarHBondContact O-CA 3.38Å; H547-V566 HydrophobicContact CB-CG2 4.3Å; H547-V566 PolarHBondContact O-N 3.38Å; H547-W657 HydrophobicContact CB-CH2 4.1Å; H547-W657 AromaticContact CD2-CH2 3.89Å; H547-W657 AromaticContact CE1-CH2 3.86Å; H547-W657 AromaticContact CE1-CZ2 3.82Å; H547-W657 AromaticContact CG-CH2 3.62Å; H547-W657 AromaticContact ND1-CH2 3.61Å; H547-W657 AromaticContact NE2-CZ2 3.89Å
548	C	83.7	Confident	72	Confident	3 Å²	3	70.3 Å²	70.3	2%	0.02	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-83	122.9	-175.9	-60.5	0	0	0	0	111.9	T544 Q550 H551 L552	T544-C548 WeakPolarHBondContact O-CA 3.43Å; T544-C548 WeakPolarHBondContact O-CB 3.44Å; T544-C548 PolarHBondContact O-N 2.72Å; C548-Q550 VanDerWaalsContact C-N 3.26Å; C548-Q550 HydrophobicContact CB-CG 3.99Å; C548-Q550 PolarHBondContact O-N 3.37Å; C548-H551 PolarHBondContact O-N 2.79Å; C548-L552 PolarHBondContact O-N 2.97Å
549	I	76.3	Confident	69.7	Low	53 Å²	53	71.6 Å²	71.6	27%	0.272	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-57.9	-38.3	-177.5	-68.2	173.8	0	0	0	112.3	H551 L552 K565 V566 E567	I549-H551 PolarHBondContact O-N 3.25Å; I549-L552 HydrophobicContact CG1-CD1 4.29Å; I549-L552 PolarHBondContact O-N 2.79Å; I549-K565 HydrophobicContact CD1-CB 3.74Å; I549-K565 HydrophobicContact CD1-CD 4.45Å; I549-K565 HydrophobicContact CG1-CB 3.68Å; I549-K565 HydrophobicContact CG1-CD 4.31Å; I549-V566 PolarHBondContact N-O 2.91Å; I549-E567 HydrophobicContact CD1-CB 4.15Å; I549-E567 WeakPolarHBondContact CD1-OE2 3.38Å
550	Q	69.7	Low	67.7	Low	90 Å²	90	72.8 Å²	72.8	42%	0.421	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-59.8	-21.6	175.3	58	179.2	0.9	0	0	115	P495 C548	P495-Q550 VanDerWaalsContact CB-OE1 3.29Å; C548-Q550 VanDerWaalsContact C-N 3.26Å; C548-Q550 HydrophobicContact CB-CG 3.99Å; C548-Q550 PolarHBondContact O-N 3.37Å
551	H	63	Low	65.8	Low	42 Å²	42	78 Å²	78	19%	0.194	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-107.5	-2.2	-178.8	-62.8	110.8	0	0	0	113.3	C548 I549	C548-H551 PolarHBondContact O-N 2.79Å; I549-H551 PolarHBondContact O-N 3.25Å
552	L	62.8	Low	64.5	Low	65 Å²	65	80.5 Å²	80.5	34%	0.34	45%	0.448	S	S	.	.	S	Bend	trans	-76.1	134.5	177.8	-84.3	150.8	0	0	0	110	C548 I549 S554 K565	C548-L552 PolarHBondContact O-N 2.97Å; I549-L552 HydrophobicContact CG1-CD1 4.29Å; I549-L552 PolarHBondContact O-N 2.79Å; L552-S554 PolarHBondContact O-N 2.86Å; L552-K565 HydrophobicContact CD1-CD 4.31Å; L552-K565 HydrophobicContact CD1-CG 4.48Å
553	P	57.2	Low	63.9	Low	106 Å²	106	79.4 Å²	79.4	69%	0.688	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-59.4	138.8	177.5	22.1	-30.5	0	0	0	111	R555	P553-R555 PolarHBondContact O-N 3.46Å; P553-R555 VanDerWaalsContact O-N 3.15Å
554	S	53.2	Low	63.7	Low	119 Å²	119	78.7 Å²	78.7	83%	0.832	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-52.3	120.8	-179.4	-60.9	0	0	0	0	111	L552 N556	L552-S554 PolarHBondContact O-N 2.86Å; S554-N556 PolarHBondContact O-N 3.33Å
555	R	43.6	Very low	63.7	Low	239 Å²	239	81.2 Å²	81.2	90%	0.902	45%	0.45	S	S	*	.	S	Bend	trans	-24	93.4	-178.7	-73.6	-179	174.2	-172.4	-0.9	114	P553	P553-R555 PolarHBondContact O-N 3.46Å; P553-R555 VanDerWaalsContact O-N 3.15Å
556	N	39.9	Very low	64	Low	168 Å²	168	76 Å²	76	90%	0.898	43%	0.426	S	S	*	.			trans	-160.3	79.9	160.6	-91.2	-19.3	0	0	0	108.3	S554	S554-N556 PolarHBondContact O-N 3.33Å
557	G	41.9	Very low	64.3	Low	65 Å²	65	78.1 Å²	78.1	67%	0.67	43%	0.434	S	S	*	.	S	Bend	trans	146.7	108.5	175	0	0	0	0	0	112.5	T559	G557-T559 PolarHBondContact O-N 3.16Å; G557-T559 VanDerWaalsContact O-N 3.16Å
558	V	39.4	Very low	64.5	Low	151 Å²	151	81.5 Å²	81.5	92%	0.915	45%	0.452	S	S	*	.			trans	18.9	83.3	159.3	-168.2	0	0	0	0	114.2	T560	V558-T560 PolarHBondContact O-N 3.23Å
559	T	44.1	Very low	64.8	Low	84 Å²	84	82.7 Å²	82.7	52%	0.515	46%	0.459	S	S	.	.			trans	-58.1	124.8	172	37.1	0	0	0	0	109.5	G557 V561	G557-T559 PolarHBondContact O-N 3.16Å; G557-T559 VanDerWaalsContact O-N 3.16Å; T559-V561 VanDerWaalsContact C-N 3.27Å; T559-V561 WeakPolarHBondContact O-CG2 3.49Å; T559-V561 PolarHBondContact O-N 2.98Å
560	T	47.4	Very low	65.5	Low	80 Å²	80	82.3 Å²	82.3	49%	0.491	46%	0.458	S	S	.	.			trans	-55.7	92.3	159.1	38.6	0	0	0	0	108.1	V558 N562 Q563	V558-T560 PolarHBondContact O-N 3.23Å; T560-N562 PolarHBondContact O-N 3.02Å; T560-Q563 PolarHBondContact OG1-OE1 2.75Å
561	V	52	Low	66.4	Low	109 Å²	109	78.9 Å²	78.9	66%	0.661	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-13.6	-166.9	-178.9	0	0	0	0	113.4	T559	T559-V561 VanDerWaalsContact C-N 3.27Å; T559-V561 WeakPolarHBondContact O-CG2 3.49Å; T559-V561 PolarHBondContact O-N 2.98Å
562	N	63.4	Low	67.6	Low	79 Å²	79	77.5 Å²	77.5	42%	0.422	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	12.6	-168.4	-68.6	-7.1	0	0	0	116	T560 P596 N677	T560-N562 PolarHBondContact O-N 3.02Å; N562-P596 WeakPolarHBondContact O-CG 3.14Å; N562-N677 PolarHBondContact O-ND2 2.64Å
563	Q	74.5	Confident	68.8	Low	37 Å²	37	75.6 Å²	75.6	17%	0.173	43%	0.428	C	S	.	.			trans	-96	144.4	179.3	-73.6	176.2	-30.3	0	0	113.7	T560 N677	T560-Q563 PolarHBondContact OG1-OE1 2.75Å; Q563-N677 WeakPolarHBondContact CA-OD1 3.31Å
564	V	84.9	Confident	70.2	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	40%	0.401	C	S	.	.			trans	-68	132.7	171.1	179.4	0	0	0	0	108.9	H547 C593 E594 I595 W657 N677 I680	H547-V564 PolarHBondContact ND1-O 2.88Å; V564-C593 HydrophobicContact CG1-CB 3.75Å; V564-E594 WeakPolarHBondContact CA-O 3.39Å; V564-I595 HydrophobicContact CG1-CG1 4.33Å; V564-I595 HydrophobicContact CG2-CG2 4.42Å; V564-W657 HydrophobicContact CB-CH2 4.07Å; V564-W657 HydrophobicContact CB-CZ2 4.43Å; V564-W657 HydrophobicContact CB-CZ3 4.23Å; V564-W657 HydrophobicContact CG1-CE3 4.17Å; V564-W657 HydrophobicContact CG1-CH2 4.12Å; V564-W657 HydrophobicContact CG1-CZ3 3.77Å; V564-N677 HydrophobicContact CG2-CB 3.98Å; V564-N677 VanDerWaalsContact CG2-ND2 3.27Å; V564-N677 WeakPolarHBondContact CG2-ND2 3.47Å; V564-N677 PolarHBondContact N-ND2 3.3Å; V564-I680 HydrophobicContact CG2-CD1 3.77Å; V564-I680 HydrophobicContact CG2-CG1 4.03Å
565	K	87.8	Confident	71.8	Confident	55 Å²	55	68.4 Å²	68.4	24%	0.239	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	126.2	176.2	-55	178.4	-176.4	167.1	0	111.3	H547 I549 L552 C593 E594	H547-K565 CarbonylContact O-C 3.57Å; H547-K565 WeakPolarHBondContact O-CA 3.38Å; I549-K565 HydrophobicContact CD1-CB 3.74Å; I549-K565 HydrophobicContact CD1-CD 4.45Å; I549-K565 HydrophobicContact CG1-CB 3.68Å; I549-K565 HydrophobicContact CG1-CD 4.31Å; L552-K565 HydrophobicContact CD1-CD 4.31Å; L552-K565 HydrophobicContact CD1-CG 4.48Å; K565-C593 CarbonylContact O-C 3.53Å; K565-C593 WeakPolarHBondContact O-CA 2.99Å; K565-E594 HydrophobicContact CB-CB 4.22Å; K565-E594 PolarHBondContact N-O 3.26Å; K565-E594 PolarHBondContact O-N 2.62Å
566	V	90.5	Very high	74	Confident	7 Å²	7	57.2 Å²	57.2	4%	0.042	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	115.7	177.1	-175.5	0	0	0	0	109	W543 H547 I549 L591 W657	W543-V566 HydrophobicContact CH2-CG2 4.07Å; H547-V566 HydrophobicContact CB-CG2 4.3Å; H547-V566 PolarHBondContact O-N 3.38Å; I549-V566 PolarHBondContact N-O 2.91Å; V566-L591 HydrophobicContact CG1-CB 4.48Å; V566-L591 HydrophobicContact CG1-CD2 4.33Å; V566-L591 HydrophobicContact CG2-CD1 4.21Å; V566-W657 HydrophobicContact CG2-CZ3 4.04Å
567	E	89.6	Confident	76.5	Confident	71 Å²	71	50.9 Å²	50.9	33%	0.332	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-44.7	175	-177.7	67.5	-175.1	0	0	111.1	I549 L592 L605 Y647	I549-E567 HydrophobicContact CD1-CB 4.15Å; I549-E567 WeakPolarHBondContact CD1-OE2 3.38Å; E567-L592 HydrophobicContact CB-CD2 4.37Å; E567-L592 HydrophobicContact CB-CG 4.33Å; E567-L592 HydrophobicContact CG-CD2 4.23Å; E567-L592 PolarHBondContact N-O 3.09Å; E567-L605 HydrophobicContact CB-CD1 4.19Å; E567-Y647 PolarHBondContact OE1-OH 3.09Å
568	D	89.6	Confident	78.9	Confident	88 Å²	88	47.8 Å²	47.8	47%	0.471	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	154.7	-177.3	-158.4	2.2	0	0	0	112.6	I570 L592	D568-I570 HydrophobicContact CB-CD1 4.25Å; D568-L592 HydrophobicContact CB-CB 4.1Å; D568-L592 HydrophobicContact CB-CD2 4.21Å; D568-L592 PolarHBondContact N-O 3.43Å; D568-L592 PolarHBondContact O-N 2.81Å
569	V	90.2	Very high	81.3	Confident	28 Å²	28	40.7 Å²	40.7	17%	0.17	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	99.2	174.7	-176.6	0	0	0	0	108.2	I492 I572 L591	I492-V569 HydrophobicContact CB-CG2 4.29Å; I492-V569 HydrophobicContact CD1-CG1 4.13Å; I492-V569 HydrophobicContact CD1-CG2 4.1Å; I492-V569 HydrophobicContact CG1-CG2 4.25Å; V569-I572 HydrophobicContact CG1-CD1 4.1Å; V569-I572 HydrophobicContact CG1-CG1 3.78Å; V569-L591 HydrophobicContact CB-CD2 4.18Å; V569-L591 HydrophobicContact CG1-CD2 3.96Å; V569-L591 HydrophobicContact CG2-CD2 3.84Å
570	I	90	Very high	83.4	Confident	45 Å²	45	37.4 Å²	37.4	23%	0.231	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	-42.9	-174.1	-59	-52.5	0	0	0	111.7	D568 T590 L592 L607 Y642	D568-I570 HydrophobicContact CB-CD1 4.25Å; I570-T590 PolarHBondContact N-O 2.83Å; I570-L592 HydrophobicContact CD1-CB 4.36Å; I570-L592 HydrophobicContact CG1-CB 4.27Å; I570-L607 HydrophobicContact CB-CD1 4.11Å; I570-L607 HydrophobicContact CG1-CD1 3.49Å; I570-L607 VanDerWaalsContact CG1-CD1 3.49Å; I570-Y642 HydrophobicContact CD1-CE1 4.24Å; I570-Y642 HydrophobicContact CG1-CE1 4.49Å
571	A	88.7	Confident	85.6	Confident	19 Å²	19	33.6 Å²	33.6	16%	0.157	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	154.3	-180	0	0	0	0	0	111.9	E574 S589 T590	A571-E574 HydrophobicContact CB-CB 3.91Å; A571-E574 HydrophobicContact CB-CG 4.14Å; A571-S589 WeakPolarHBondContact O-CA 3.4Å; A571-T590 PolarHBondContact N-O 2.83Å; A571-T590 PolarHBondContact O-N 3.33Å
572	I	89.5	Confident	87.6	Confident	13 Å²	13	28.4 Å²	28.4	7%	0.067	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	134.1	174.4	-67.7	-159.9	0	0	0	109.3	Q489 I492 S493 V569 E574 R925	Q489-I572 HydrophobicContact CB-CD1 3.77Å; Q489-I572 HydrophobicContact CB-CG2 3.88Å; Q489-I572 HydrophobicContact CG-CD1 4.17Å; Q489-I572 HydrophobicContact CG-CG2 3.62Å; Q489-I572 VanDerWaalsContact O-CD1 3.29Å; Q489-I572 WeakPolarHBondContact O-CD1 3.42Å; I492-I572 HydrophobicContact CD1-CD1 4.27Å; I492-I572 HydrophobicContact CG1-CD1 4.22Å; S493-I572 WeakPolarHBondContact OG-CD1 3.49Å; V569-I572 HydrophobicContact CG1-CD1 4.1Å; V569-I572 HydrophobicContact CG1-CG1 3.78Å; I572-E574 PolarHBondContact O-N 3.41Å; I572-R925 PolarHBondContact O-NH1 3.49Å; I572-R925 PolarHBondContact O-NH2 3.33Å; I572-R925 VanDerWaalsContact O-NH2 3.11Å
573	E	87.1	Confident	89.2	Confident	25 Å²	25	24.7 Å²	24.7	12%	0.117	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52.3	48.7	178.4	-67.6	-88	-178.8	0	0	110	Q489 N575 K586 I587 D588 R925	Q489-E573 PolarHBondContact NE2-OE1 2.82Å; E573-N575 PolarHBondContact O-N 2.9Å; E573-K586 WeakPolarHBondContact OE2-CD 3.47Å; E573-K586 WeakPolarHBondContact OE2-CE 3.49Å; E573-K586 IonicContact OE2-NZ 3.35Å; E573-K586 PolarHBondContact OE2-NZ 3.04Å; E573-I587 CarbonylContact C-O 3.51Å; E573-I587 WeakPolarHBondContact CA-O 3.48Å; E573-I587 PolarHBondContact N-O 3.44Å; E573-I587 VanDerWaalsContact N-O 3.12Å; E573-D588 PolarHBondContact N-O 2.84Å; E573-R925 PolarHBondContact O-NH1 3.43Å; E573-R925 VanDerWaalsContact O-NH1 3.17Å; E573-R925 PolarHBondContact O-NH2 2.59Å
574	E	87.2	Confident	90.1	Very high	23 Å²	23	26.1 Å²	26.1	11%	0.107	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	117.6	-172	-173.9	166.3	-142.9	0	0	110.2	A571 I572 I576 K586 I587 T590 F637 Y638	A571-E574 HydrophobicContact CB-CB 3.91Å; A571-E574 HydrophobicContact CB-CG 4.14Å; I572-E574 PolarHBondContact O-N 3.41Å; E574-I576 HydrophobicContact CG-CD1 4.31Å; E574-I576 HydrophobicContact CG-CG1 4.05Å; E574-K586 CarbonylContact O-C 3.59Å; E574-K586 WeakPolarHBondContact O-CA 3.02Å; E574-I587 HydrophobicContact CB-CB 4.44Å; E574-I587 PolarHBondContact N-O 3.4Å; E574-I587 PolarHBondContact O-N 3Å; E574-T590 PolarHBondContact OE2-OG1 3.03Å; E574-F637 WeakPolarHBondContact OE1-CE1 3.12Å; E574-Y638 PolarHBondContact OE1-OH 3.38Å; E574-Y638 PolarHBondContact OE2-OH 2.94Å
575	N	87.2	Confident	90.4	Very high	50 Å²	50	26.4 Å²	26.4	27%	0.267	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	118.9	178.4	-65.6	-42.3	0	0	0	109.6	E573 K586	E573-N575 PolarHBondContact O-N 2.9Å; N575-K586 WeakPolarHBondContact OD1-CG 3.27Å
576	I	90.2	Very high	90.6	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.021	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	120.4	177	-55.8	-178.2	0	0	0	109.4	E574 K584 G585 I587 L633 F637	E574-I576 HydrophobicContact CG-CD1 4.31Å; E574-I576 HydrophobicContact CG-CG1 4.05Å; I576-K584 WeakPolarHBondContact O-CA 3.41Å; I576-G585 PolarHBondContact N-O 3.44Å; I576-G585 PolarHBondContact O-N 3.28Å; I576-I587 HydrophobicContact CD1-CD1 3.58Å; I576-I587 HydrophobicContact CD1-CG1 4.47Å; I576-I587 HydrophobicContact CG1-CD1 4.49Å; I576-L633 HydrophobicContact CB-CB 4.39Å; I576-L633 HydrophobicContact CG2-CB 4.02Å; I576-L633 HydrophobicContact CG2-CD2 4.26Å; I576-F637 HydrophobicContact CD1-CB 3.84Å; I576-F637 HydrophobicContact CD1-CD1 4.05Å; I576-F637 HydrophobicContact CD1-CD2 4.34Å; I576-F637 HydrophobicContact CD1-CG 3.87Å; I576-F637 HydrophobicContact CG1-CB 4.45Å; I576-F637 HydrophobicContact CG1-CD1 4.5Å; I576-F637 HydrophobicContact CG1-CD2 4.12Å; I576-F637 HydrophobicContact CG1-CE2 4.33Å; I576-F637 HydrophobicContact CG1-CG 4.15Å; I576-F637 HydrophobicContact CG2-CB 3.93Å; I576-F637 HydrophobicContact CG2-CD2 3.95Å; I576-F637 HydrophobicContact CG2-CG 4.21Å
577	W	92.4	Very high	90.7	Very high	36 Å²	36	26.8 Å²	26.8	14%	0.136	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	128.8	176.6	-60.8	7.4	0	0	0	109.6	L428 K584 F801 I805 I875 G885 L888	L428-W577 HydrophobicContact CD1-CB 4.05Å; L428-W577 HydrophobicContact CD1-CD2 4.13Å; L428-W577 HydrophobicContact CD1-CE3 3.76Å; L428-W577 HydrophobicContact CD1-CG 4.26Å; W577-K584 HydrophobicContact CG-CB 3.99Å; W577-F801 HydrophobicContact CE3-CZ 4.04Å; W577-F801 AromaticContact CH2-CE2 3.92Å; W577-F801 HydrophobicContact CH2-CE2 3.92Å; W577-F801 AromaticContact CH2-CZ 3.93Å; W577-F801 HydrophobicContact CH2-CZ 3.93Å; W577-F801 AromaticContact CZ3-CE2 3.72Å; W577-F801 HydrophobicContact CZ3-CE2 3.72Å; W577-F801 AromaticContact CZ3-CZ 3.58Å; W577-F801 HydrophobicContact CZ3-CZ 3.58Å; W577-I805 HydrophobicContact CE3-CD1 4.1Å; W577-I805 HydrophobicContact CZ3-CD1 4.03Å; W577-I875 HydrophobicContact CH2-CG1 4.34Å; W577-I875 HydrophobicContact CH2-CG2 4.34Å; W577-I875 HydrophobicContact CZ3-CG1 4.41Å; W577-I875 HydrophobicContact CZ3-CG2 3.96Å; W577-G885 VanDerWaalsContact CE3-CA 3.42Å; W577-G885 VanDerWaalsContact CZ3-CA 3.45Å; W577-L888 HydrophobicContact CH2-CD2 4.29Å
578	S	91.5	Very high	90.9	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	107.2	-179.6	170.6	0	0	0	0	109.6	L428 R580 L581 G582 L583 E636	L428-S578 VanDerWaalsContact CD2-O 3.3Å; L428-S578 WeakPolarHBondContact CD2-O 3.31Å; S578-R580 VanDerWaalsContact C-N 3.26Å; S578-R580 PolarHBondContact OG-N 3.42Å; S578-L581 WeakPolarHBondContact OG-CB 3.48Å; S578-L581 PolarHBondContact OG-N 3.47Å; S578-G582 VanDerWaalsContact O-CA 3.31Å; S578-G582 WeakPolarHBondContact O-CA 3.5Å; S578-G582 PolarHBondContact O-N 3.35Å; S578-L583 PolarHBondContact N-O 3.33Å; S578-L583 PolarHBondContact O-N 3.11Å; S578-E636 WeakPolarHBondContact CB-OE2 3.46Å; S578-E636 PolarHBondContact OG-OE1 2.96Å; S578-E636 VanDerWaalsContact OG-OE1 3.05Å; S578-E636 PolarHBondContact OG-OE2 3.38Å
579	N	89.5	Confident	91.1	Very high	1 Å²	1	20 Å²	20	1%	0.005	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-30.9	167.1	-172.2	-80.6	0	0	0	110.2	R333 N385 P425 D426 L581 G582 I805 M884	R333-N579 PolarHBondContact NH1-OD1 2.8Å; N385-N579 PolarHBondContact ND2-O 2.69Å; P425-N579 WeakPolarHBondContact CB-O 3.13Å; D426-N579 PolarHBondContact OD1-ND2 3.1Å; N579-L581 VanDerWaalsContact C-N 3.34Å; N579-L581 PolarHBondContact O-N 3.38Å; N579-G582 PolarHBondContact O-N 3.33Å; N579-I805 VanDerWaalsContact ND2-CG2 3.34Å; N579-I805 WeakPolarHBondContact ND2-CG2 2.68Å; N579-M884 HydrophobicContact CB-CE 3.22Å; N579-M884 HydrophobicContact CB-SD 3.9Å
580	R	89.2	Confident	91.3	Very high	15 Å²	15	18.7 Å²	18.7	6%	0.057	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-51.9	175.6	175.4	179.9	173.7	171.5	0.3	111.6	S330 F331 N385 I387 N389 S578 E636	S330-R580 PolarHBondContact OG-NH1 2.95Å; S330-R580 VanDerWaalsContact OG-NH1 3.17Å; F331-R580 HydrophobicContact CB-CG 4.22Å; F331-R580 HydrophobicContact CD1-CB 3.71Å; F331-R580 HydrophobicContact CD1-CG 3.53Å; F331-R580 HydrophobicContact CE1-CB 3.7Å; F331-R580 HydrophobicContact CE1-CG 4.08Å; F331-R580 HydrophobicContact CG-CB 4.38Å; F331-R580 HydrophobicContact CG-CG 3.99Å; F331-R580 HydrophobicContact CZ-CB 4.36Å; N385-R580 WeakPolarHBondContact ND2-CA 3.14Å; N385-R580 PolarHBondContact ND2-O 3.1Å; I387-R580 HydrophobicContact CD1-CG 4.23Å; I387-R580 VanDerWaalsContact CD1-O 3.3Å; I387-R580 WeakPolarHBondContact CD1-O 3.49Å; I387-R580 HydrophobicContact CG1-CG 4.48Å; N389-R580 PolarHBondContact O-NH2 3.17Å; S578-R580 VanDerWaalsContact C-N 3.26Å; S578-R580 PolarHBondContact OG-N 3.42Å; R580-E636 WeakPolarHBondContact CB-OE1 3.26Å
581	L	92.7	Very high	91.6	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-9.3	-176.7	-59.5	167.9	0	0	0	113	I387 V390 C422 S578 N579 L583 M632 I692	I387-L581 HydrophobicContact CD1-CD2 3.78Å; V390-L581 HydrophobicContact CG1-CD2 4.32Å; C422-L581 PolarHBondContact SG-O 3.02Å; S578-L581 WeakPolarHBondContact OG-CB 3.48Å; S578-L581 PolarHBondContact OG-N 3.47Å; N579-L581 VanDerWaalsContact C-N 3.34Å; N579-L581 PolarHBondContact O-N 3.38Å; L581-L583 VanDerWaalsContact C-N 3.34Å; L581-L583 HydrophobicContact CB-CB 4.32Å; L581-L583 HydrophobicContact CB-CD1 3.87Å; L581-L583 HydrophobicContact CB-CG 4.08Å; L581-L583 HydrophobicContact CD1-CD1 4.46Å; L581-M632 HydrophobicContact CD1-CB 3.89Å; L581-M632 HydrophobicContact CD1-CE 3.66Å; L581-M632 HydrophobicContact CD2-CE 3.62Å; L581-M632 HydrophobicContact CG-CE 4.22Å; L581-I692 HydrophobicContact CD2-CD1 4.08Å
582	G	94.8	Very high	91.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	41.1	-175.4	0	0	0	0	0	112.5	P425 Y427 L429 S578 N579 R695	P425-G582 VanDerWaalsContact O-CA 3.23Å; P425-G582 WeakPolarHBondContact O-CA 2.77Å; Y427-G582 VanDerWaalsContact O-O 3.06Å; L429-G582 PolarHBondContact N-O 3.36Å; L429-G582 VanDerWaalsContact N-O 3.13Å; S578-G582 VanDerWaalsContact O-CA 3.31Å; S578-G582 WeakPolarHBondContact O-CA 3.5Å; S578-G582 PolarHBondContact O-N 3.35Å; N579-G582 PolarHBondContact O-N 3.33Å; G582-R695 PolarHBondContact O-NE 3.31Å; G582-R695 PolarHBondContact O-NH2 3.12Å
583	L	95.7	Very high	91.9	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	150.3	-173.3	-70.6	175.2	0	0	0	111.1	L429 V434 S578 L581 L629 L633 R695	L429-L583 WeakPolarHBondContact O-CA 3.45Å; V434-L583 HydrophobicContact CG2-CD2 3.8Å; S578-L583 PolarHBondContact N-O 3.33Å; S578-L583 PolarHBondContact O-N 3.11Å; L581-L583 VanDerWaalsContact C-N 3.34Å; L581-L583 HydrophobicContact CB-CB 4.32Å; L581-L583 HydrophobicContact CB-CD1 3.87Å; L581-L583 HydrophobicContact CB-CG 4.08Å; L581-L583 HydrophobicContact CD1-CD1 4.46Å; L583-L629 HydrophobicContact CD1-CD2 3.77Å; L583-L633 HydrophobicContact CB-CD2 4.14Å; L583-R695 HydrophobicContact CD2-CG 3.87Å
584	K	93.2	Very high	92	Very high	68 Å²	68	16.9 Å²	16.9	30%	0.296	8%	0.079	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	134.5	162.7	62.5	-177.6	-177.3	-178.7	0	110.1	L428 L429 P430 T431 I576 W577	L428-K584 HydrophobicContact CB-CB 4.32Å; L428-K584 HydrophobicContact CB-CD 4.31Å; L428-K584 HydrophobicContact CB-CG 4.36Å; L428-K584 WeakPolarHBondContact O-CE 2.95Å; L429-K584 PolarHBondContact O-N 2.95Å; P430-K584 WeakPolarHBondContact CA-O 3.33Å; T431-K584 PolarHBondContact N-O 2.82Å; I576-K584 WeakPolarHBondContact O-CA 3.41Å; W577-K584 HydrophobicContact CG-CB 3.99Å
585	G	92.4	Very high	91.9	Very high	6 Å²	6	16 Å²	16	6%	0.062	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	158.1	179	0	0	0	0	0	111.2	I576	I576-G585 PolarHBondContact N-O 3.44Å; I576-G585 PolarHBondContact O-N 3.28Å
586	K	90.9	Very high	91.2	Very high	69 Å²	69	14.8 Å²	14.8	30%	0.3	7%	0.07	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	93	171.5	-168.6	-179.8	-162.7	-147.1	0	107.9	E573 E574 N575 D588 Y630	E573-K586 WeakPolarHBondContact OE2-CD 3.47Å; E573-K586 WeakPolarHBondContact OE2-CE 3.49Å; E573-K586 IonicContact OE2-NZ 3.35Å; E573-K586 PolarHBondContact OE2-NZ 3.04Å; E574-K586 CarbonylContact O-C 3.59Å; E574-K586 WeakPolarHBondContact O-CA 3.02Å; N575-K586 WeakPolarHBondContact OD1-CG 3.27Å; K586-D588 PolarHBondContact O-N 3.26Å; K586-Y630 PolarHBondContact O-OH 2.94Å
587	I	93.5	Very high	89.9	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	123.3	-173.6	-56.1	178.9	0	0	0	108	E573 E574 I576 S589 P609 Y630 A634	E573-I587 CarbonylContact C-O 3.51Å; E573-I587 WeakPolarHBondContact CA-O 3.48Å; E573-I587 PolarHBondContact N-O 3.44Å; E573-I587 VanDerWaalsContact N-O 3.12Å; E574-I587 HydrophobicContact CB-CB 4.44Å; E574-I587 PolarHBondContact N-O 3.4Å; E574-I587 PolarHBondContact O-N 3Å; I576-I587 HydrophobicContact CD1-CD1 3.58Å; I576-I587 HydrophobicContact CD1-CG1 4.47Å; I576-I587 HydrophobicContact CG1-CD1 4.49Å; I587-S589 VanDerWaalsContact C-N 3.27Å; I587-S589 WeakPolarHBondContact CG2-O 3.48Å; I587-S589 PolarHBondContact O-N 3.36Å; I587-P609 HydrophobicContact CD1-CB 4.19Å; I587-P609 HydrophobicContact CG2-CB 3.79Å; I587-Y630 HydrophobicContact CB-CD2 4.34Å; I587-Y630 HydrophobicContact CB-CE2 4.37Å; I587-Y630 HydrophobicContact CD1-CG 4.44Å; I587-Y630 HydrophobicContact CG1-CD1 3.94Å; I587-Y630 HydrophobicContact CG1-CD2 4.04Å; I587-Y630 HydrophobicContact CG1-CE1 4.26Å; I587-Y630 HydrophobicContact CG1-CE2 4.32Å; I587-Y630 HydrophobicContact CG1-CG 3.84Å; I587-Y630 HydrophobicContact CG2-CD2 4.09Å; I587-Y630 HydrophobicContact CG2-CE2 4.36Å; I587-A634 HydrophobicContact CD1-CB 4.24Å
588	D	93.3	Very high	88.2	Confident	14 Å²	14	21.4 Å²	21.4	8%	0.075	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	-46.1	-177.2	-73.7	-30.8	0	0	0	111.2	H485 E573 K586 L612	H485-D588 IonicContact CE1-OD1 2.68Å; H485-D588 IonicContact CE1-OD2 2.82Å; H485-D588 PolarHBondContact CE1-OD2 3Å; H485-D588 IonicContact ND1-OD1 2.64Å; H485-D588 IonicContact ND1-OD2 3.2Å; E573-D588 PolarHBondContact N-O 2.84Å; K586-D588 PolarHBondContact O-N 3.26Å; D588-L612 PolarHBondContact OD2-N 3.08Å
589	S	94.2	Very high	86.5	Confident	2 Å²	2	25.2 Å²	25.2	1%	0.014	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	144.3	170	56.3	0	0	0	0	112.4	A571 I587 M610	A571-S589 WeakPolarHBondContact O-CA 3.4Å; I587-S589 VanDerWaalsContact C-N 3.27Å; I587-S589 WeakPolarHBondContact CG2-O 3.48Å; I587-S589 PolarHBondContact O-N 3.36Å; S589-M610 PolarHBondContact N-O 2.67Å; S589-M610 PolarHBondContact O-N 2.76Å; S589-M610 WeakPolarHBondContact OG-CE 3.32Å
590	T	94.8	Very high	84.9	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	116.2	171.9	-53.9	0	0	0	0	107.7	I570 A571 E574 L607 Y638	I570-T590 PolarHBondContact N-O 2.83Å; A571-T590 PolarHBondContact N-O 2.83Å; A571-T590 PolarHBondContact O-N 3.33Å; E574-T590 PolarHBondContact OE2-OG1 3.03Å; T590-L607 HydrophobicContact CG2-CD1 3.78Å; T590-L607 HydrophobicContact CG2-CD2 4.29Å; T590-L607 HydrophobicContact CG2-CG 3.92Å; T590-Y638 HydrophobicContact CG2-CE2 3.94Å
591	L	94.7	Very high	83.2	Confident	1 Å²	1	38 Å²	38	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	141.6	-168	-57.2	-178.8	0	0	0	111.5	I492 V566 V569 C593 L607 I608 M610	I492-L591 HydrophobicContact CD1-CD2 4.42Å; V566-L591 HydrophobicContact CG1-CB 4.48Å; V566-L591 HydrophobicContact CG1-CD2 4.33Å; V566-L591 HydrophobicContact CG2-CD1 4.21Å; V569-L591 HydrophobicContact CB-CD2 4.18Å; V569-L591 HydrophobicContact CG1-CD2 3.96Å; V569-L591 HydrophobicContact CG2-CD2 3.84Å; L591-C593 WeakPolarHBondContact CB-SG 3.22Å; L591-L607 CarbonylContact O-C 3.54Å; L591-L607 WeakPolarHBondContact O-CA 3.1Å; L591-I608 HydrophobicContact CB-CG1 4.42Å; L591-I608 PolarHBondContact N-O 3.26Å; L591-I608 PolarHBondContact O-N 3.36Å; L591-M610 HydrophobicContact CD1-CB 4.08Å; L591-M610 HydrophobicContact CD1-CE 4.2Å; L591-M610 HydrophobicContact CD1-CG 4.45Å; L591-M610 HydrophobicContact CD1-SD 3.56Å; L591-M610 VanDerWaalsContact CD1-SD 3.56Å; L591-M610 HydrophobicContact CG-CB 4.48Å
592	L	93.9	Very high	82	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.021	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	112.1	167.9	-174.4	65.8	0	0	0	108.2	E567 D568 I570 L605 Y647 V650	E567-L592 HydrophobicContact CB-CD2 4.37Å; E567-L592 HydrophobicContact CB-CG 4.33Å; E567-L592 HydrophobicContact CG-CD2 4.23Å; E567-L592 PolarHBondContact N-O 3.09Å; D568-L592 HydrophobicContact CB-CB 4.1Å; D568-L592 HydrophobicContact CB-CD2 4.21Å; D568-L592 PolarHBondContact N-O 3.43Å; D568-L592 PolarHBondContact O-N 2.81Å; I570-L592 HydrophobicContact CD1-CB 4.36Å; I570-L592 HydrophobicContact CG1-CB 4.27Å; L592-L605 HydrophobicContact CD1-CD1 4.17Å; L592-L605 HydrophobicContact CD1-CD2 3.97Å; L592-L605 HydrophobicContact CD1-CG 3.76Å; L592-L605 HydrophobicContact CD2-CD2 4.18Å; L592-L605 HydrophobicContact CG-CD1 3.91Å; L592-L605 HydrophobicContact CG-CD2 4.17Å; L592-L605 HydrophobicContact CG-CG 4.03Å; L592-Y647 HydrophobicContact CD2-CD2 3.99Å; L592-Y647 HydrophobicContact CD2-CE2 3.88Å; L592-V650 HydrophobicContact CD1-CB 4.49Å; L592-V650 HydrophobicContact CD1-CG1 3.6Å; L592-V650 HydrophobicContact CD1-CG2 4.33Å
593	C	92.3	Very high	81	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	138.1	-169.7	-62.6	0	0	0	0	113.3	V564 K565 L591 I595 L605 N606 I608	V564-C593 HydrophobicContact CG1-CB 3.75Å; K565-C593 CarbonylContact O-C 3.53Å; K565-C593 WeakPolarHBondContact O-CA 2.99Å; L591-C593 WeakPolarHBondContact CB-SG 3.22Å; C593-I595 HydrophobicContact CB-CG1 4.25Å; C593-L605 CarbonylContact O-C 3.4Å; C593-L605 WeakPolarHBondContact O-CA 3.47Å; C593-N606 PolarHBondContact N-O 2.88Å; C593-N606 PolarHBondContact O-N 2.99Å; C593-I608 HydrophobicContact CB-CD1 3.95Å; C593-I608 HydrophobicContact CB-CG1 4.22Å
594	E	88.4	Confident	80.4	Confident	59 Å²	59	51 Å²	51	28%	0.276	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	117.3	161	-69.7	-171	166.1	0	0	109.4	V564 K565 P603 T604 L605	V564-E594 WeakPolarHBondContact CA-O 3.39Å; K565-E594 HydrophobicContact CB-CB 4.22Å; K565-E594 PolarHBondContact N-O 3.26Å; K565-E594 PolarHBondContact O-N 2.62Å; E594-P603 HydrophobicContact CB-CB 4.09Å; E594-P603 HydrophobicContact CB-CG 4.49Å; E594-T604 WeakPolarHBondContact CA-O 3.35Å; E594-L605 HydrophobicContact CG-CD1 4Å
595	I	84.7	Confident	80.3	Confident	5 Å²	5	49.5 Å²	49.5	3%	0.026	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	125.8	179.9	-52.1	175.8	0	0	0	108.9	V564 C593 L597 P603 T604 N606 I608 A655	V564-I595 HydrophobicContact CG1-CG1 4.33Å; V564-I595 HydrophobicContact CG2-CG2 4.42Å; C593-I595 HydrophobicContact CB-CG1 4.25Å; I595-L597 PolarHBondContact O-N 3.25Å; I595-P603 WeakPolarHBondContact O-CA 3.47Å; I595-T604 PolarHBondContact N-O 2.67Å; I595-T604 PolarHBondContact O-N 2.63Å; I595-N606 HydrophobicContact CD1-CB 3.93Å; I595-I608 HydrophobicContact CD1-CD1 4.05Å; I595-I608 HydrophobicContact CD1-CG2 3.7Å; I595-A655 HydrophobicContact CD1-CB 3.95Å
596	P	73.4	Confident	80.3	Confident	25 Å²	25	49.5 Å²	49.5	16%	0.162	27%	0.27	C	S	.	.			trans	-72.9	114	169.6	25.8	-26.1	0	0	0	109.4	N562	N562-P596 WeakPolarHBondContact O-CG 3.14Å
597	L	63.6	Low	80.4	Confident	63 Å²	63	46.2 Å²	46.2	33%	0.33	26%	0.256	S	S	.	.			trans	-76.2	144.9	173.8	-87.2	143.2	0	0	0	110.6	I595 G599 E600 T604	I595-L597 PolarHBondContact O-N 3.25Å; L597-G599 PolarHBondContact O-N 3.07Å; L597-E600 HydrophobicContact CB-CB 4.12Å; L597-E600 HydrophobicContact CB-CG 4.19Å; L597-E600 WeakPolarHBondContact CD1-OE2 3.25Å; L597-E600 PolarHBondContact O-N 3.2Å; L597-T604 HydrophobicContact CD1-CG2 3.68Å; L597-T604 WeakPolarHBondContact CD1-OG1 3.33Å
598	I	56.2	Low	80.5	Confident	116 Å²	116	46.2 Å²	46.2	60%	0.595	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	109.7	175.1	-57.5	171.7	0	0	0	108	T676	I598-T676 HydrophobicContact CD1-CG2 3.84Å; I598-T676 HydrophobicContact CG1-CG2 4.22Å
599	G	55.7	Low	80.7	Confident	79 Å²	79	45.6 Å²	45.6	81%	0.814	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.4	-7.2	177	0	0	0	0	0	116.2	L597	L597-G599 PolarHBondContact O-N 3.07Å
600	E	54.9	Low	80.7	Confident	108 Å²	108	45.5 Å²	45.5	51%	0.505	25%	0.252	S	S	.	.			trans	-101.2	138.8	175.1	-66.8	-169	165.5	0	0	112.3	L597 K602	L597-E600 HydrophobicContact CB-CB 4.12Å; L597-E600 HydrophobicContact CB-CG 4.19Å; L597-E600 WeakPolarHBondContact CD1-OE2 3.25Å; L597-E600 PolarHBondContact O-N 3.2Å; E600-K602 VanDerWaalsContact C-N 3.34Å; E600-K602 PolarHBondContact O-N 3.01Å
601	L	54.6	Low	80.7	Confident	178 Å²	178	45.7 Å²	45.7	93%	0.932	25%	0.253	S	S	*	.	S	Bend	trans	-75	-18.5	179.9	-81.2	158.8	0	0	0	114
602	K	67.4	Low	80.7	Confident	170 Å²	170	45.7 Å²	45.7	74%	0.739	25%	0.253	S	S	*	.	S	Bend	trans	-119.6	131.6	-177.6	-71.9	-175.1	179.3	179.4	0	110.1	E600	E600-K602 VanDerWaalsContact C-N 3.34Å; E600-K602 PolarHBondContact O-N 3.01Å
603	P	73.5	Confident	80.6	Confident	61 Å²	61	47.2 Å²	47.2	40%	0.396	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-65.2	144.8	173.6	29.7	-34.7	0	0	0	110.2	E594 I595	E594-P603 HydrophobicContact CB-CB 4.09Å; E594-P603 HydrophobicContact CB-CG 4.49Å; I595-P603 WeakPolarHBondContact O-CA 3.47Å
604	T	82.4	Confident	80.3	Confident	42 Å²	42	48.6 Å²	48.6	26%	0.258	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	136.4	176.9	56	0	0	0	0	110.2	E594 I595 L597 N606	E594-T604 WeakPolarHBondContact CA-O 3.35Å; I595-T604 PolarHBondContact N-O 2.67Å; I595-T604 PolarHBondContact O-N 2.63Å; L597-T604 HydrophobicContact CD1-CG2 3.68Å; L597-T604 WeakPolarHBondContact CD1-OG1 3.33Å; T604-N606 PolarHBondContact O-N 3.28Å; T604-N606 PolarHBondContact O-ND2 2.62Å; T604-N606 PolarHBondContact OG1-ND2 3.31Å
605	L	90.9	Very high	80.1	Confident	36 Å²	36	47.3 Å²	47.3	19%	0.188	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	123	174.5	-166.7	70.6	0	0	0	108.9	E567 L592 C593 E594 Y647 V650 P651	E567-L605 HydrophobicContact CB-CD1 4.19Å; L592-L605 HydrophobicContact CD1-CD1 4.17Å; L592-L605 HydrophobicContact CD1-CD2 3.97Å; L592-L605 HydrophobicContact CD1-CG 3.76Å; L592-L605 HydrophobicContact CD2-CD2 4.18Å; L592-L605 HydrophobicContact CG-CD1 3.91Å; L592-L605 HydrophobicContact CG-CD2 4.17Å; L592-L605 HydrophobicContact CG-CG 4.03Å; C593-L605 CarbonylContact O-C 3.4Å; C593-L605 WeakPolarHBondContact O-CA 3.47Å; E594-L605 HydrophobicContact CG-CD1 4Å; L605-Y647 HydrophobicContact CD2-CD1 3.5Å; L605-Y647 HydrophobicContact CD2-CD2 4.08Å; L605-Y647 HydrophobicContact CD2-CE1 3.71Å; L605-Y647 HydrophobicContact CD2-CE2 4.29Å; L605-Y647 HydrophobicContact CD2-CG 3.71Å; L605-V650 HydrophobicContact CD2-CG2 4.07Å; L605-V650 HydrophobicContact CG-CG1 4.36Å; L605-V650 WeakPolarHBondContact O-CG1 3.34Å; L605-P651 WeakPolarHBondContact O-CD 3.43Å
606	N	92.2	Very high	80	Confident	6 Å²	6	52.6 Å²	52.6	3%	0.032	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	144.4	-177.8	-68.5	-93.8	0	0	0	110.2	C593 I595 T604 I608 P651 N654	C593-N606 PolarHBondContact N-O 2.88Å; C593-N606 PolarHBondContact O-N 2.99Å; I595-N606 HydrophobicContact CD1-CB 3.93Å; T604-N606 PolarHBondContact O-N 3.28Å; T604-N606 PolarHBondContact O-ND2 2.62Å; T604-N606 PolarHBondContact OG1-ND2 3.31Å; N606-I608 HydrophobicContact CB-CG2 3.86Å; N606-P651 WeakPolarHBondContact CA-O 3.44Å; N606-N654 PolarHBondContact OD1-ND2 2.97Å
607	L	94.8	Very high	80.5	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	111.4	168.2	-175.1	70.9	0	0	0	108.6	I570 T590 L591 Y638 Y642 V650 P651 V652 A653	I570-L607 HydrophobicContact CB-CD1 4.11Å; I570-L607 HydrophobicContact CG1-CD1 3.49Å; I570-L607 VanDerWaalsContact CG1-CD1 3.49Å; T590-L607 HydrophobicContact CG2-CD1 3.78Å; T590-L607 HydrophobicContact CG2-CD2 4.29Å; T590-L607 HydrophobicContact CG2-CG 3.92Å; L591-L607 CarbonylContact O-C 3.54Å; L591-L607 WeakPolarHBondContact O-CA 3.1Å; L607-Y638 HydrophobicContact CD2-CD1 3.86Å; L607-Y638 HydrophobicContact CD2-CD2 3.9Å; L607-Y638 HydrophobicContact CD2-CE1 4.04Å; L607-Y638 HydrophobicContact CD2-CE2 4.11Å; L607-Y638 HydrophobicContact CD2-CG 3.78Å; L607-Y642 HydrophobicContact CD2-CD1 4.08Å; L607-Y642 HydrophobicContact CD2-CD2 4.15Å; L607-Y642 HydrophobicContact CD2-CG 3.79Å; L607-V650 HydrophobicContact CB-CG1 4.41Å; L607-P651 PolarHBondContact N-O 3.49Å; L607-V652 HydrophobicContact CB-CG2 4.27Å; L607-V652 HydrophobicContact CD2-CG1 4.4Å; L607-V652 HydrophobicContact CD2-CG2 4.16Å; L607-V652 CarbonylContact O-C 3.4Å; L607-A653 PolarHBondContact O-N 2.95Å
608	I	95.2	Very high	81.4	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	141.4	-172.8	65.1	173.3	0	0	0	112.3	L591 C593 I595 N606 A655 W657	L591-I608 HydrophobicContact CB-CG1 4.42Å; L591-I608 PolarHBondContact N-O 3.26Å; L591-I608 PolarHBondContact O-N 3.36Å; C593-I608 HydrophobicContact CB-CD1 3.95Å; C593-I608 HydrophobicContact CB-CG1 4.22Å; I595-I608 HydrophobicContact CD1-CD1 4.05Å; I595-I608 HydrophobicContact CD1-CG2 3.7Å; N606-I608 HydrophobicContact CB-CG2 3.86Å; I608-A655 VanDerWaalsContact CB-O 3.22Å; I608-A655 WeakPolarHBondContact CB-O 3.35Å; I608-A655 HydrophobicContact CG2-CB 4.35Å; I608-A655 WeakPolarHBondContact CG2-O 3.44Å; I608-W657 HydrophobicContact CD1-CB 4.11Å; I608-W657 HydrophobicContact CD1-CE3 4.3Å
609	P	96.6	Very high	82.7	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.006	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	142	166.4	32.1	-33.4	0	0	0	110.4	I587 L631 A634 G656 W657	I587-P609 HydrophobicContact CD1-CB 4.19Å; I587-P609 HydrophobicContact CG2-CB 3.79Å; P609-L631 HydrophobicContact CG-CD2 3.7Å; P609-L631 HydrophobicContact CG-CG 4.36Å; P609-A634 HydrophobicContact CG-CB 4.34Å; P609-G656 WeakPolarHBondContact O-CA 3.13Å; P609-W657 PolarHBondContact O-N 3.14Å
610	M	95	Very high	84.1	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	135.8	174.3	-173.8	-176.5	81.5	0	0	110.4	F488 W543 S589 L591 W657 V659	F488-M610 HydrophobicContact CD1-CE 4.49Å; F488-M610 HydrophobicContact CE1-CE 3.4Å; F488-M610 VanDerWaalsContact CE1-CE 3.4Å; F488-M610 HydrophobicContact CZ-CE 3.76Å; W543-M610 HydrophobicContact CH2-SD 4.37Å; W543-M610 HydrophobicContact CZ2-SD 4.01Å; S589-M610 PolarHBondContact N-O 2.67Å; S589-M610 PolarHBondContact O-N 2.76Å; S589-M610 WeakPolarHBondContact OG-CE 3.32Å; L591-M610 HydrophobicContact CD1-CB 4.08Å; L591-M610 HydrophobicContact CD1-CE 4.2Å; L591-M610 HydrophobicContact CD1-CG 4.45Å; L591-M610 HydrophobicContact CD1-SD 3.56Å; L591-M610 VanDerWaalsContact CD1-SD 3.56Å; L591-M610 HydrophobicContact CG-CB 4.48Å; M610-W657 CarbonylContact C-O 3.49Å; M610-W657 VanDerWaalsContact CA-O 3.24Å; M610-W657 WeakPolarHBondContact CA-O 3.15Å; M610-W657 HydrophobicContact CB-CB 4.34Å; M610-W657 HydrophobicContact CG-CB 4.06Å; M610-W657 HydrophobicContact CG-CG 4.43Å; M610-W657 WeakPolarHBondContact CG-O 3.05Å; M610-W657 HydrophobicContact SD-CE3 4.16Å; M610-V659 HydrophobicContact CG-CB 4.49Å; M610-V659 HydrophobicContact CG-CG2 3.83Å; M610-V659 HydrophobicContact SD-CB 4.31Å; M610-V659 HydrophobicContact SD-CG2 3.56Å; M610-V659 VanDerWaalsContact SD-CG2 3.56Å
611	E	95.1	Very high	85.7	Confident	5 Å²	5	51.5 Å²	51.5	2%	0.023	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127.2	168.2	177.9	69.7	-168.8	0	0	108.3	K613 Q626 V627 Y630 W657 L658 V659	E611-K613 VanDerWaalsContact OE1-CE 3.31Å; E611-K613 WeakPolarHBondContact OE1-CE 3.23Å; E611-K613 IonicContact OE1-NZ 2.99Å; E611-K613 PolarHBondContact OE1-NZ 3.41Å; E611-Q626 PolarHBondContact OE1-NE2 3.29Å; E611-Q626 PolarHBondContact OE1-OE1 3.23Å; E611-Q626 VanDerWaalsContact OE1-OE1 3.04Å; E611-Q626 VanDerWaalsContact OE2-CD 3.25Å; E611-Q626 PolarHBondContact OE2-NE2 3.35Å; E611-V627 HydrophobicContact CB-CG2 3.58Å; E611-V627 HydrophobicContact CG-CG2 4.43Å; E611-Y630 HydrophobicContact CB-CE2 4.47Å; E611-Y630 WeakPolarHBondContact OE2-CE2 3.24Å; E611-Y630 PolarHBondContact OE2-OH 2.81Å; E611-W657 PolarHBondContact N-O 2.81Å; E611-L658 HydrophobicContact CB-CD1 4.12Å; E611-L658 HydrophobicContact CG-CD1 3.96Å; E611-V659 PolarHBondContact O-N 2.76Å
612	L	93.8	Very high	87.3	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	139.9	178.6	-176	68.2	0	0	0	109.9	H485 F488 D588 V659 L661	H485-L612 PolarHBondContact CE1-O 3.24Å; H485-L612 PolarHBondContact NE2-O 3.01Å; H485-L612 VanDerWaalsContact NE2-O 3.16Å; F488-L612 HydrophobicContact CB-CD2 3.79Å; F488-L612 HydrophobicContact CD1-CD1 4.47Å; F488-L612 HydrophobicContact CD1-CD2 3.58Å; F488-L612 HydrophobicContact CD2-CD1 4.39Å; F488-L612 HydrophobicContact CD2-CD2 4.29Å; F488-L612 HydrophobicContact CE1-CD1 4.39Å; F488-L612 HydrophobicContact CE1-CD2 4.21Å; F488-L612 HydrophobicContact CE2-CD1 4.31Å; F488-L612 HydrophobicContact CG-CD1 4.46Å; F488-L612 HydrophobicContact CG-CD2 3.62Å; F488-L612 HydrophobicContact CZ-CD1 4.3Å; D588-L612 PolarHBondContact OD2-N 3.08Å; L612-V659 CarbonylContact C-O 3.57Å; L612-V659 HydrophobicContact CD1-CB 4.11Å; L612-V659 HydrophobicContact CD1-CG1 3.89Å; L612-L661 HydrophobicContact CD1-CD1 4.13Å; L612-L661 HydrophobicContact CD1-CD2 3.93Å; L612-L661 HydrophobicContact CD1-CG 3.73Å; L612-L661 HydrophobicContact CD2-CD1 4.37Å; L612-L661 HydrophobicContact CG-CD1 4.49Å
613	K	92.2	Very high	88.5	Confident	35 Å²	35	39 Å²	39	15%	0.152	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	134.8	171.9	-63.1	-63.6	-177.7	-157.7	0	110.3	E611 H623 L658 V659 Y660 L661	E611-K613 VanDerWaalsContact OE1-CE 3.31Å; E611-K613 WeakPolarHBondContact OE1-CE 3.23Å; E611-K613 IonicContact OE1-NZ 2.99Å; E611-K613 PolarHBondContact OE1-NZ 3.41Å; K613-H623 VanDerWaalsContact CE-CD2 3.5Å; K613-H623 WeakPolarHBondContact CE-CD2 3.33Å; K613-L658 HydrophobicContact CG-CD1 3.93Å; K613-V659 PolarHBondContact N-O 3.46Å; K613-Y660 HydrophobicContact CB-CD1 3.56Å; K613-Y660 HydrophobicContact CB-CE1 3.67Å; K613-Y660 HydrophobicContact CB-CG 4.28Å; K613-Y660 HydrophobicContact CG-CD1 4.4Å; K613-Y660 HydrophobicContact CG-CE1 4.07Å; K613-Y660 WeakPolarHBondContact O-CA 3.11Å; K613-L661 PolarHBondContact O-N 3.24Å
614	T	86.4	Confident	89.4	Confident	30 Å²	30	38.6 Å²	38.6	18%	0.184	21%	0.212	C	C	.	.			trans	-94.3	-12.5	-176.1	57	0	0	0	0	113.7	V484 H485 K662	V484-T614 HydrophobicContact CB-CG2 3.77Å; V484-T614 HydrophobicContact CG1-CG2 3.56Å; H485-T614 VanDerWaalsContact CD2-CG2 3.47Å; H485-T614 WeakPolarHBondContact CD2-CG2 3.4Å; T614-K662 WeakPolarHBondContact O-CE 3.5Å
615	G	83.9	Confident	90	Very high	32 Å²	32	36.8 Å²	36.8	33%	0.33	20%	0.202	S	C	.	.	S	Bend	trans	-84.1	-175.2	178.4	0	0	0	0	0	113.8
616	N	83.2	Confident	90.2	Very high	116 Å²	116	35.6 Å²	35.6	62%	0.62	20%	0.195	S	C	*	.			trans	-64.3	149.4	172.7	-67	-18	0	0	0	110.8	T618 Y660 K662	N616-T618 PolarHBondContact O-N 3.33Å; N616-T618 VanDerWaalsContact O-N 3.17Å; N616-Y660 WeakPolarHBondContact O-CD1 3.45Å; N616-Y660 WeakPolarHBondContact O-CE1 3.46Å; N616-K662 WeakPolarHBondContact OD1-CD 3.49Å
617	P	82.3	Confident	90.4	Very high	51 Å²	51	35.4 Å²	35.4	33%	0.331	19%	0.194	S	C	.	.			trans	-63.3	116.6	176.1	25.8	-32.9	0	0	0	110.7	Y619 Y660	P617-Y619 HydrophobicContact CB-CD2 4.35Å; P617-Y619 HydrophobicContact CB-CE2 3.76Å; P617-Y660 HydrophobicContact CB-CD1 4.33Å; P617-Y660 HydrophobicContact CB-CD2 4.1Å; P617-Y660 HydrophobicContact CB-CE2 4.47Å; P617-Y660 HydrophobicContact CB-CG 4Å
618	T	82.6	Confident	90.4	Very high	89 Å²	89	36.2 Å²	36.2	55%	0.546	20%	0.197	S	C	.	.			trans	-113.2	-22.3	176.1	53.7	0	0	0	0	112.8	N616 S620 Y660	N616-T618 PolarHBondContact O-N 3.33Å; N616-T618 VanDerWaalsContact O-N 3.17Å; T618-S620 PolarHBondContact O-N 2.91Å; T618-Y660 PolarHBondContact N-OH 2.79Å; T618-Y660 PolarHBondContact OG1-OH 2.9Å
619	Y	83.5	Confident	90.4	Very high	68 Å²	68	36.2 Å²	36.2	27%	0.267	20%	0.197	S	C	.	.			trans	39.5	40.3	-168.8	-60	-80.4	0	0	0	113.3	P617 K624 L658 Y660 E663	P617-Y619 HydrophobicContact CB-CD2 4.35Å; P617-Y619 HydrophobicContact CB-CE2 3.76Å; Y619-K624 WeakPolarHBondContact O-CE 3.33Å; Y619-L658 HydrophobicContact CD1-CD2 4.03Å; Y619-Y660 WeakPolarHBondContact CA-OH 3.41Å; Y619-Y660 AromaticContact CD1-CE2 3.82Å; Y619-Y660 HydrophobicContact CD1-CE2 3.82Å; Y619-Y660 AromaticContact CE1-CD2 3.99Å; Y619-Y660 HydrophobicContact CE1-CD2 3.99Å; Y619-Y660 AromaticContact CE1-CE2 3.76Å; Y619-Y660 HydrophobicContact CE1-CE2 3.76Å; Y619-Y660 HydrophobicContact CG-CE2 4.22Å; Y619-Y660 PolarHBondContact N-OH 2.71Å; Y619-E663 PolarHBondContact OH-OE1 2.98Å; Y619-E663 PolarHBondContact OH-OE2 2.69Å
620	S	86.4	Confident	90.5	Very high	33 Å²	33	36.4 Å²	36.4	23%	0.231	20%	0.198	C	C	.	.			trans	-60.7	154.8	-176.4	69.6	0	0	0	0	111	T618 E622 H623 K624	T618-S620 PolarHBondContact O-N 2.91Å; S620-E622 PolarHBondContact O-N 3.5Å; S620-H623 PolarHBondContact O-N 3.41Å; S620-H623 VanDerWaalsContact O-N 3.07Å; S620-H623 PolarHBondContact OG-CD2 2.96Å; S620-H623 VanDerWaalsContact OG-CD2 3.26Å; S620-H623 VanDerWaalsContact OG-CG 3.27Å; S620-H623 PolarHBondContact OG-N 2.93Å; S620-K624 PolarHBondContact O-N 3.29Å
621	I	86.6	Confident	90.5	Very high	126 Å²	126	36.4 Å²	36.4	65%	0.646	20%	0.198	S	C	*	.	H	α-helix	trans	-57.6	-33	175.4	-60.3	167	0	0	0	110.2	L438 G625	L438-I621 HydrophobicContact CD1-CG2 3.76Å; I621-G625 WeakPolarHBondContact O-CA 3.35Å; I621-G625 PolarHBondContact O-N 2.94Å
622	E	89.1	Confident	90.4	Very high	49 Å²	49	36.2 Å²	36.2	23%	0.229	20%	0.197	C	C	.	.	H	α-helix	trans	-63.2	-46.2	175.6	-64.2	-176.8	153.2	0	0	112.3	V435 S436 N439 S620 G625 Q626	V435-E622 HydrophobicContact CB-CB 4.45Å; V435-E622 HydrophobicContact CG2-CB 4.33Å; S436-E622 WeakPolarHBondContact CA-OE1 3.39Å; N439-E622 PolarHBondContact ND2-OE1 3.13Å; S620-E622 PolarHBondContact O-N 3.5Å; E622-G625 PolarHBondContact O-N 3.18Å; E622-Q626 PolarHBondContact O-N 2.91Å
623	H	92.2	Very high	90.3	Very high	37 Å²	37	36.2 Å²	36.2	17%	0.171	20%	0.197	C	C	.	.	H	α-helix	trans	-70.1	-42.6	-179	-65.9	-171.9	0	0	0	111.6	K613 S620 Q626 V627 L658 Y660	K613-H623 VanDerWaalsContact CE-CD2 3.5Å; K613-H623 WeakPolarHBondContact CE-CD2 3.33Å; S620-H623 PolarHBondContact O-N 3.41Å; S620-H623 VanDerWaalsContact O-N 3.07Å; S620-H623 PolarHBondContact OG-CD2 2.96Å; S620-H623 VanDerWaalsContact OG-CD2 3.26Å; S620-H623 VanDerWaalsContact OG-CG 3.27Å; S620-H623 PolarHBondContact OG-N 2.93Å; H623-Q626 PolarHBondContact O-N 3.07Å; H623-V627 PolarHBondContact O-N 3.46Å; H623-L658 HydrophobicContact CB-CD1 4.06Å; H623-L658 HydrophobicContact CB-CD2 3.75Å; H623-Y660 AromaticContact ND1-CE1 3.72Å; H623-Y660 AromaticContact ND1-CZ 3.47Å; H623-Y660 PolarHBondContact ND1-OH 3.36Å
624	K	93.8	Very high	90.3	Very high	52 Å²	52	34.6 Å²	34.6	23%	0.226	19%	0.19	C	C	.	.	H	α-helix	trans	-62.7	-44.9	173.7	-66.7	-175.5	-179.8	179.9	0	111.2	Y619 S620 Q626 V627 Y628 L681	Y619-K624 WeakPolarHBondContact O-CE 3.33Å; S620-K624 PolarHBondContact O-N 3.29Å; K624-Q626 VanDerWaalsContact C-N 3.25Å; K624-Q626 PolarHBondContact O-N 2.78Å; K624-V627 PolarHBondContact O-N 3.16Å; K624-Y628 HydrophobicContact CB-CE2 4.2Å; K624-Y628 VanDerWaalsContact O-CD2 3.24Å; K624-Y628 WeakPolarHBondContact O-CD2 3.23Å; K624-Y628 PolarHBondContact O-N 3.45Å; K624-L681 HydrophobicContact CB-CD1 4.02Å; K624-L681 HydrophobicContact CD-CD2 4.38Å; K624-L681 HydrophobicContact CG-CD1 4.05Å; K624-L681 HydrophobicContact CG-CD2 4.29Å
625	G	94.2	Very high	90.4	Very high	4 Å²	4	34 Å²	34	4%	0.041	19%	0.185	C	C	.	.	H	α-helix	trans	-56.9	-38.5	176.8	0	0	0	0	0	112.7	V435 I621 E622 Y628 L629	V435-G625 VanDerWaalsContact CG1-C 3.49Å; I621-G625 WeakPolarHBondContact O-CA 3.35Å; I621-G625 PolarHBondContact O-N 2.94Å; E622-G625 PolarHBondContact O-N 3.18Å; G625-Y628 PolarHBondContact O-N 3.03Å; G625-L629 WeakPolarHBondContact O-CG 3.43Å; G625-L629 PolarHBondContact O-N 3.11Å
626	Q	94.4	Very high	90.5	Very high	12 Å²	12	35.4 Å²	35.4	6%	0.056	18%	0.183	C	C	.	.	H	α-helix	trans	-64.9	-43.6	179.2	-170.4	173.1	-5	0	0	111.4	E611 E622 H623 K624 L629 Y630	E611-Q626 PolarHBondContact OE1-NE2 3.29Å; E611-Q626 PolarHBondContact OE1-OE1 3.23Å; E611-Q626 VanDerWaalsContact OE1-OE1 3.04Å; E611-Q626 VanDerWaalsContact OE2-CD 3.25Å; E611-Q626 PolarHBondContact OE2-NE2 3.35Å; E622-Q626 PolarHBondContact O-N 2.91Å; H623-Q626 PolarHBondContact O-N 3.07Å; K624-Q626 VanDerWaalsContact C-N 3.25Å; K624-Q626 PolarHBondContact O-N 2.78Å; Q626-L629 PolarHBondContact O-N 3Å; Q626-Y630 HydrophobicContact CG-CE1 4.3Å; Q626-Y630 HydrophobicContact CG-CE2 4.23Å; Q626-Y630 PolarHBondContact NE2-OH 2.71Å; Q626-Y630 PolarHBondContact O-N 2.95Å
627	V	96.2	Very high	90.7	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	16%	0.162	C	C	.	.	H	α-helix	trans	-64.6	-43	174.8	179	0	0	0	0	111.2	E611 H623 K624 L629 Y630 L631 L658 L681	E611-V627 HydrophobicContact CB-CG2 3.58Å; E611-V627 HydrophobicContact CG-CG2 4.43Å; H623-V627 PolarHBondContact O-N 3.46Å; K624-V627 PolarHBondContact O-N 3.16Å; V627-L629 VanDerWaalsContact C-N 3.31Å; V627-L629 PolarHBondContact O-N 3.13Å; V627-Y630 CarbonylContact O-C 3.6Å; V627-Y630 WeakPolarHBondContact O-CA 3.24Å; V627-Y630 WeakPolarHBondContact O-CB 3.43Å; V627-Y630 PolarHBondContact O-N 2.85Å; V627-L631 WeakPolarHBondContact O-CG 3.18Å; V627-L631 PolarHBondContact O-N 3.13Å; V627-L658 HydrophobicContact CG2-CB 4.06Å; V627-L658 HydrophobicContact CG2-CD1 4.42Å; V627-L681 HydrophobicContact CB-CD1 3.75Å; V627-L681 HydrophobicContact CG1-CB 4.28Å; V627-L681 HydrophobicContact CG1-CD1 3.91Å; V627-L681 HydrophobicContact CG2-CD1 4.17Å
628	Y	95.9	Very high	90.9	Very high	19 Å²	19	30.8 Å²	30.8	8%	0.075	15%	0.152	C	C	.	.	H	α-helix	trans	-57.7	-43.4	175.8	-72.9	-47.9	0	0	0	112.5	K624 G625 Y630 L631 M632 L681 Y682 D684 S687 F688 L691	K624-Y628 HydrophobicContact CB-CE2 4.2Å; K624-Y628 VanDerWaalsContact O-CD2 3.24Å; K624-Y628 WeakPolarHBondContact O-CD2 3.23Å; K624-Y628 PolarHBondContact O-N 3.45Å; G625-Y628 PolarHBondContact O-N 3.03Å; Y628-Y630 VanDerWaalsContact C-N 3.31Å; Y628-Y630 PolarHBondContact O-N 3.08Å; Y628-L631 HydrophobicContact CD1-CD1 4.08Å; Y628-L631 WeakPolarHBondContact O-CB 3.34Å; Y628-L631 PolarHBondContact O-N 3.03Å; Y628-M632 PolarHBondContact O-N 3.3Å; Y628-L681 HydrophobicContact CE1-CB 4.27Å; Y628-Y682 WeakPolarHBondContact CE1-O 3.21Å; Y628-D684 HydrophobicContact CE1-CB 4.13Å; Y628-S687 WeakPolarHBondContact CE2-OG 3.45Å; Y628-F688 AromaticContact CD1-CE1 3.89Å; Y628-F688 HydrophobicContact CD1-CE1 3.89Å; Y628-F688 HydrophobicContact CG-CE1 4.23Å; Y628-F688 WeakPolarHBondContact O-CE1 3.39Å; Y628-L691 HydrophobicContact CD2-CD1 4.43Å; Y628-L691 HydrophobicContact CG-CD1 4.46Å
629	L	95.9	Very high	91.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.2	-36.5	174.8	-68	178.9	0	0	0	112.1	T431 V434 V435 L583 G625 Q626 V627 M632 L633 L691	T431-L629 HydrophobicContact CG2-CB 3.68Å; T431-L629 HydrophobicContact CG2-CD1 3.87Å; T431-L629 HydrophobicContact CG2-CG 4.39Å; V434-L629 HydrophobicContact CB-CD1 4.13Å; V434-L629 HydrophobicContact CG1-CD1 4.21Å; V435-L629 HydrophobicContact CG1-CD1 3.89Å; L583-L629 HydrophobicContact CD1-CD2 3.77Å; G625-L629 WeakPolarHBondContact O-CG 3.43Å; G625-L629 PolarHBondContact O-N 3.11Å; Q626-L629 PolarHBondContact O-N 3Å; V627-L629 VanDerWaalsContact C-N 3.31Å; V627-L629 PolarHBondContact O-N 3.13Å; L629-M632 HydrophobicContact CD2-SD 4.31Å; L629-M632 PolarHBondContact O-N 2.99Å; L629-L633 WeakPolarHBondContact O-CG 3.45Å; L629-L633 PolarHBondContact O-N 2.84Å; L629-L691 HydrophobicContact CD2-CB 3.94Å; L629-L691 HydrophobicContact CD2-CD1 4.04Å; L629-L691 HydrophobicContact CD2-CG 4.43Å; L629-L691 HydrophobicContact CG-CD1 4.11Å
630	Y	96.8	Very high	91.1	Very high	5 Å²	5	26.2 Å²	26.2	2%	0.02	14%	0.139	C	C	.	.	H	α-helix	trans	-67.5	-33.6	174.7	-68.2	-10	0	0	0	113.4	T431 K586 I587 E611 Q626 V627 Y628 M632 L633 A634	T431-Y630 HydrophobicContact CG2-CD1 4.32Å; T431-Y630 HydrophobicContact CG2-CE1 4.17Å; T431-Y630 WeakPolarHBondContact OG1-CE1 3.42Å; K586-Y630 PolarHBondContact O-OH 2.94Å; I587-Y630 HydrophobicContact CB-CD2 4.34Å; I587-Y630 HydrophobicContact CB-CE2 4.37Å; I587-Y630 HydrophobicContact CD1-CG 4.44Å; I587-Y630 HydrophobicContact CG1-CD1 3.94Å; I587-Y630 HydrophobicContact CG1-CD2 4.04Å; I587-Y630 HydrophobicContact CG1-CE1 4.26Å; I587-Y630 HydrophobicContact CG1-CE2 4.32Å; I587-Y630 HydrophobicContact CG1-CG 3.84Å; I587-Y630 HydrophobicContact CG2-CD2 4.09Å; I587-Y630 HydrophobicContact CG2-CE2 4.36Å; E611-Y630 HydrophobicContact CB-CE2 4.47Å; E611-Y630 WeakPolarHBondContact OE2-CE2 3.24Å; E611-Y630 PolarHBondContact OE2-OH 2.81Å; Q626-Y630 HydrophobicContact CG-CE1 4.3Å; Q626-Y630 HydrophobicContact CG-CE2 4.23Å; Q626-Y630 PolarHBondContact NE2-OH 2.71Å; Q626-Y630 PolarHBondContact O-N 2.95Å; V627-Y630 CarbonylContact O-C 3.6Å; V627-Y630 WeakPolarHBondContact O-CA 3.24Å; V627-Y630 WeakPolarHBondContact O-CB 3.43Å; V627-Y630 PolarHBondContact O-N 2.85Å; Y628-Y630 VanDerWaalsContact C-N 3.31Å; Y628-Y630 PolarHBondContact O-N 3.08Å; Y630-M632 VanDerWaalsContact C-N 3.32Å; Y630-M632 PolarHBondContact O-N 2.89Å; Y630-L633 HydrophobicContact CD1-CD1 4.39Å; Y630-L633 PolarHBondContact O-N 3.28Å; Y630-A634 WeakPolarHBondContact O-CB 3.47Å; Y630-A634 PolarHBondContact O-N 2.62Å
631	L	95.5	Very high	91.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59	-47.2	173.6	-66.4	171.8	0	0	0	110.7	Y391 P609 V627 Y628 R635 A653 A655 G656 P683 F688	Y391-L631 HydrophobicContact CE2-CB 4.4Å; P609-L631 HydrophobicContact CG-CD2 3.7Å; P609-L631 HydrophobicContact CG-CG 4.36Å; V627-L631 WeakPolarHBondContact O-CG 3.18Å; V627-L631 PolarHBondContact O-N 3.13Å; Y628-L631 HydrophobicContact CD1-CD1 4.08Å; Y628-L631 WeakPolarHBondContact O-CB 3.34Å; Y628-L631 PolarHBondContact O-N 3.03Å; L631-R635 VanDerWaalsContact O-CB 3.24Å; L631-R635 WeakPolarHBondContact O-CB 3.36Å; L631-R635 PolarHBondContact O-N 3.17Å; L631-A653 HydrophobicContact CB-CB 4.43Å; L631-A653 HydrophobicContact CD2-CB 4.03Å; L631-A653 WeakPolarHBondContact CD2-O 3.21Å; L631-A653 WeakPolarHBondContact O-CB 3.33Å; L631-A655 WeakPolarHBondContact CD2-O 3.48Å; L631-G656 VanDerWaalsContact CD2-N 3.33Å; L631-P683 HydrophobicContact CD1-CG 4.36Å; L631-F688 HydrophobicContact CB-CZ 4.36Å; L631-F688 HydrophobicContact CD1-CZ 4.42Å
632	M	92.6	Very high	91.3	Very high	1 Å²	1	28 Å²	28	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-61.4	-46.8	177.4	-64	167.2	53.7	0	0	111.9	V390 L581 Y628 L629 Y630 E636 F688 I692	V390-M632 HydrophobicContact CG1-CE 3.13Å; V390-M632 HydrophobicContact CG1-CG 4.43Å; V390-M632 HydrophobicContact CG1-SD 3.87Å; L581-M632 HydrophobicContact CD1-CB 3.89Å; L581-M632 HydrophobicContact CD1-CE 3.66Å; L581-M632 HydrophobicContact CD2-CE 3.62Å; L581-M632 HydrophobicContact CG-CE 4.22Å; Y628-M632 PolarHBondContact O-N 3.3Å; L629-M632 HydrophobicContact CD2-SD 4.31Å; L629-M632 PolarHBondContact O-N 2.99Å; Y630-M632 VanDerWaalsContact C-N 3.32Å; Y630-M632 PolarHBondContact O-N 2.89Å; M632-E636 WeakPolarHBondContact O-CB 3.42Å; M632-E636 PolarHBondContact O-N 3.04Å; M632-F688 HydrophobicContact CG-CD1 3.9Å; M632-F688 HydrophobicContact CG-CE1 3.92Å; M632-F688 HydrophobicContact CG-CG 4.26Å; M632-F688 HydrophobicContact CG-CZ 4.28Å; M632-F688 HydrophobicContact SD-CB 4.03Å; M632-F688 HydrophobicContact SD-CD1 3.53Å; M632-F688 VanDerWaalsContact SD-CD1 3.53Å; M632-F688 HydrophobicContact SD-CE1 4.13Å; M632-F688 HydrophobicContact SD-CG 3.86Å; M632-I692 HydrophobicContact CE-CD1 3.73Å; M632-I692 HydrophobicContact CE-CG1 4.01Å
633	L	93.1	Very high	91	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-66.2	-43.7	180	-69.8	175.6	0	0	0	112.8	T431 I576 L583 L629 Y630 E636 F637	T431-L633 HydrophobicContact CG2-CD1 3.73Å; I576-L633 HydrophobicContact CB-CB 4.39Å; I576-L633 HydrophobicContact CG2-CB 4.02Å; I576-L633 HydrophobicContact CG2-CD2 4.26Å; L583-L633 HydrophobicContact CB-CD2 4.14Å; L629-L633 WeakPolarHBondContact O-CG 3.45Å; L629-L633 PolarHBondContact O-N 2.84Å; Y630-L633 HydrophobicContact CD1-CD1 4.39Å; Y630-L633 PolarHBondContact O-N 3.28Å; L633-E636 PolarHBondContact O-N 3.46Å; L633-F637 VanDerWaalsContact O-CB 3.3Å; L633-F637 WeakPolarHBondContact O-CB 3.49Å; L633-F637 PolarHBondContact O-N 3.35Å
634	A	92	Very high	90.4	Very high	2 Å²	2	29.4 Å²	29.4	2%	0.017	15%	0.152	C	C	.	.	H	α-helix	trans	-65.5	-42.3	178.9	0	0	0	0	0	111.4	I587 P609 Y630 E636 F637 Y638 A653	I587-A634 HydrophobicContact CD1-CB 4.24Å; P609-A634 HydrophobicContact CG-CB 4.34Å; Y630-A634 WeakPolarHBondContact O-CB 3.47Å; Y630-A634 PolarHBondContact O-N 2.62Å; A634-E636 VanDerWaalsContact C-N 3.34Å; A634-E636 PolarHBondContact O-N 2.81Å; A634-F637 PolarHBondContact O-N 2.85Å; A634-Y638 WeakPolarHBondContact O-CD2 3.32Å; A634-Y638 PolarHBondContact O-N 2.8Å; A634-A653 HydrophobicContact CB-CB 4.25Å
635	R	89.2	Confident	89.6	Confident	17 Å²	17	33.2 Å²	33.2	6%	0.064	19%	0.185	C	C	.	.	H	α-helix	trans	-63.6	-38.8	176.5	-167.8	64.8	169.2	-163.9	0.2	112	Y391 D393 L631 G639 A640 V652 A653 N654	Y391-R635 HydrophobicContact CE1-CG 4.33Å; Y391-R635 HydrophobicContact CE2-CB 4.43Å; Y391-R635 HydrophobicContact CE2-CG 4.37Å; Y391-R635 WeakPolarHBondContact O-CG 3.43Å; D393-R635 IonicContact OD1-CZ 3.23Å; D393-R635 IonicContact OD1-NE 3.07Å; D393-R635 IonicContact OD1-NH2 2.96Å; D393-R635 PolarHBondContact OD1-NH2 3.04Å; L631-R635 VanDerWaalsContact O-CB 3.24Å; L631-R635 WeakPolarHBondContact O-CB 3.36Å; L631-R635 PolarHBondContact O-N 3.17Å; R635-G639 CarbonylContact O-C 3.58Å; R635-G639 WeakPolarHBondContact O-CA 3.49Å; R635-G639 PolarHBondContact O-N 3.49Å; R635-A640 PolarHBondContact NH1-O 3.06Å; R635-V652 WeakPolarHBondContact CD-O 3.42Å; R635-V652 PolarHBondContact NH1-O 3.01Å; R635-A653 HydrophobicContact CB-CB 3.98Å; R635-N654 PolarHBondContact NH1-OD1 3.39Å
636	E	85	Confident	88.9	Confident	61 Å²	61	41 Å²	41	29%	0.285	22%	0.218	S	C	.	.	H	α-helix	trans	-65.6	-43.7	174	-177.1	174.3	172.5	0	0	112	S578 R580 M632 L633 A634	S578-E636 WeakPolarHBondContact CB-OE2 3.46Å; S578-E636 PolarHBondContact OG-OE1 2.96Å; S578-E636 VanDerWaalsContact OG-OE1 3.05Å; S578-E636 PolarHBondContact OG-OE2 3.38Å; R580-E636 WeakPolarHBondContact CB-OE1 3.26Å; M632-E636 WeakPolarHBondContact O-CB 3.42Å; M632-E636 PolarHBondContact O-N 3.04Å; L633-E636 PolarHBondContact O-N 3.46Å; A634-E636 VanDerWaalsContact C-N 3.34Å; A634-E636 PolarHBondContact O-N 2.81Å
637	F	86.7	Confident	88.4	Confident	41 Å²	41	43.9 Å²	43.9	18%	0.18	23%	0.229	C	C	.	.	H	α-helix	trans	-76.2	-39.2	-173.2	-175.1	-99.8	0	0	0	114.4	E574 I576 L633 A634 F883 R930	E574-F637 WeakPolarHBondContact OE1-CE1 3.12Å; I576-F637 HydrophobicContact CD1-CB 3.84Å; I576-F637 HydrophobicContact CD1-CD1 4.05Å; I576-F637 HydrophobicContact CD1-CD2 4.34Å; I576-F637 HydrophobicContact CD1-CG 3.87Å; I576-F637 HydrophobicContact CG1-CB 4.45Å; I576-F637 HydrophobicContact CG1-CD1 4.5Å; I576-F637 HydrophobicContact CG1-CD2 4.12Å; I576-F637 HydrophobicContact CG1-CE2 4.33Å; I576-F637 HydrophobicContact CG1-CG 4.15Å; I576-F637 HydrophobicContact CG2-CB 3.93Å; I576-F637 HydrophobicContact CG2-CD2 3.95Å; I576-F637 HydrophobicContact CG2-CG 4.21Å; L633-F637 VanDerWaalsContact O-CB 3.3Å; L633-F637 WeakPolarHBondContact O-CB 3.49Å; L633-F637 PolarHBondContact O-N 3.35Å; A634-F637 PolarHBondContact O-N 2.85Å; F637-F883 AromaticContact CD2-CD1 3.88Å; F637-F883 HydrophobicContact CD2-CD1 3.88Å; F637-F883 HydrophobicContact CD2-CE1 4.13Å; F637-F883 AromaticContact CE2-CD1 3.72Å; F637-F883 HydrophobicContact CE2-CD1 3.72Å; F637-F883 HydrophobicContact CE2-CE1 4.18Å; F637-R930 VanDerWaalsContact CE2-NH2 3.34Å
638	Y	87.4	Confident	87.7	Confident	30 Å²	30	48.1 Å²	48.1	12%	0.118	26%	0.264	C	S	.	.	H	α-helix	trans	-97.7	-15.5	180	-69.7	-78.9	0	0	0	113.2	E574 T590 L607 A634 Y642 V652	E574-Y638 PolarHBondContact OE1-OH 3.38Å; E574-Y638 PolarHBondContact OE2-OH 2.94Å; T590-Y638 HydrophobicContact CG2-CE2 3.94Å; L607-Y638 HydrophobicContact CD2-CD1 3.86Å; L607-Y638 HydrophobicContact CD2-CD2 3.9Å; L607-Y638 HydrophobicContact CD2-CE1 4.04Å; L607-Y638 HydrophobicContact CD2-CE2 4.11Å; L607-Y638 HydrophobicContact CD2-CG 3.78Å; A634-Y638 WeakPolarHBondContact O-CD2 3.32Å; A634-Y638 PolarHBondContact O-N 2.8Å; Y638-Y642 AromaticContact CD1-CD2 3.8Å; Y638-Y642 HydrophobicContact CD1-CD2 3.8Å; Y638-Y642 HydrophobicContact CD1-CE2 4.14Å; Y638-Y642 HydrophobicContact CE1-CD2 4.25Å; Y638-Y642 HydrophobicContact CE1-CE2 4.15Å; Y638-V652 HydrophobicContact CD2-CG1 4.47Å
639	G	86	Confident	87.2	Confident	30 Å²	30	54.5 Å²	54.5	31%	0.309	29%	0.292	S	S	.	.			trans	75.8	-170.1	-170.2	0	0	0	0	0	112.5	R635 Y641 V652	R635-G639 CarbonylContact O-C 3.58Å; R635-G639 WeakPolarHBondContact O-CA 3.49Å; R635-G639 PolarHBondContact O-N 3.49Å; G639-Y641 VanDerWaalsContact C-N 3.33Å; G639-Y641 PolarHBondContact O-N 3.23Å; G639-V652 VanDerWaalsContact O-CB 3.25Å; G639-V652 WeakPolarHBondContact O-CB 3.45Å; G639-V652 WeakPolarHBondContact O-CG2 3.49Å
640	A	84.9	Confident	87	Confident	30 Å²	30	54.8 Å²	54.8	25%	0.248	29%	0.294	C	S	.	.	S	Bend	trans	-70.5	-28.9	-174.2	0	0	0	0	0	114.5	R635 V652	R635-A640 PolarHBondContact NH1-O 3.06Å; A640-V652 PolarHBondContact O-N 2.88Å
641	Y	88.6	Confident	86.7	Confident	143 Å²	143	56 Å²	56	56%	0.561	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.3	126.4	-177.1	-60.6	-80.2	0	0	0	110	G639 K649 V650 P651	G639-Y641 VanDerWaalsContact C-N 3.33Å; G639-Y641 PolarHBondContact O-N 3.23Å; Y641-K649 HydrophobicContact CD1-CB 4.11Å; Y641-K649 HydrophobicContact CG-CB 4.4Å; Y641-V650 CarbonylContact C-O 3.49Å; Y641-V650 VanDerWaalsContact CA-O 3.27Å; Y641-V650 WeakPolarHBondContact CA-O 3.47Å; Y641-P651 HydrophobicContact CE1-CG 4.4Å
642	Y	87.1	Confident	86.5	Confident	53 Å²	53	56 Å²	56	21%	0.208	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	139.3	170.1	179	-114.9	0	0	0	109.1	I570 L607 Y638 T644 V650	I570-Y642 HydrophobicContact CD1-CE1 4.24Å; I570-Y642 HydrophobicContact CG1-CE1 4.49Å; L607-Y642 HydrophobicContact CD2-CD1 4.08Å; L607-Y642 HydrophobicContact CD2-CD2 4.15Å; L607-Y642 HydrophobicContact CD2-CG 3.79Å; Y638-Y642 AromaticContact CD1-CD2 3.8Å; Y638-Y642 HydrophobicContact CD1-CD2 3.8Å; Y638-Y642 HydrophobicContact CD1-CE2 4.14Å; Y638-Y642 HydrophobicContact CE1-CD2 4.25Å; Y638-Y642 HydrophobicContact CE1-CE2 4.15Å; Y642-T644 HydrophobicContact CD1-CG2 3.99Å; Y642-T644 HydrophobicContact CE1-CG2 3.17Å; Y642-T644 VanDerWaalsContact CZ-CG2 3.48Å; Y642-T644 WeakPolarHBondContact OH-CG2 3.37Å; Y642-V650 PolarHBondContact N-O 3.2Å; Y642-V650 WeakPolarHBondContact O-CB 3.43Å; Y642-V650 PolarHBondContact O-N 2.76Å
643	S	84	Confident	86.4	Confident	71 Å²	71	56 Å²	56	50%	0.497	30%	0.302	S	S	.	.			trans	-131.7	139.5	177.3	-61.9	0	0	0	0	109.6	Y647 K649	S643-Y647 WeakPolarHBondContact CA-O 3.46Å; S643-K649 PolarHBondContact OG-N 2.77Å; S643-K649 VanDerWaalsContact OG-N 3.12Å
644	T	79	Confident	86.2	Confident	46 Å²	46	58.9 Å²	58.9	28%	0.282	32%	0.318	S	S	.	.			trans	-127.1	174.6	175.4	61.1	0	0	0	0	109.1	Y642 K646 Y647	Y642-T644 HydrophobicContact CD1-CG2 3.99Å; Y642-T644 HydrophobicContact CE1-CG2 3.17Å; Y642-T644 VanDerWaalsContact CZ-CG2 3.48Å; Y642-T644 WeakPolarHBondContact OH-CG2 3.37Å; T644-K646 PolarHBondContact O-N 3.19Å; T644-K646 PolarHBondContact OG1-N 3.15Å; T644-Y647 PolarHBondContact N-O 2.81Å; T644-Y647 PolarHBondContact OG1-N 2.67Å; T644-Y647 PolarHBondContact OG1-O 2.95Å
645	S	77.4	Confident	86.2	Confident	131 Å²	131	58.9 Å²	58.9	92%	0.916	32%	0.318	S	S	*	.	S	Bend	trans	-60.6	-28.2	171.2	54	0	0	0	0	113.2
646	K	80	Confident	86.4	Confident	169 Å²	169	58 Å²	58	74%	0.735	31%	0.314	S	S	*	.	S	Bend	trans	-90.2	-34.9	-178.9	-68	-177.5	179.7	178.3	0	113.5	T644	T644-K646 PolarHBondContact O-N 3.19Å; T644-K646 PolarHBondContact OG1-N 3.15Å
647	Y	82.6	Confident	86.8	Confident	71 Å²	71	55.5 Å²	55.5	28%	0.278	30%	0.302	S	S	.	.			trans	-130.3	122.3	-174.3	-50.4	-78.9	0	0	0	110.9	E567 L592 L605 S643 T644 V650	E567-Y647 PolarHBondContact OE1-OH 3.09Å; L592-Y647 HydrophobicContact CD2-CD2 3.99Å; L592-Y647 HydrophobicContact CD2-CE2 3.88Å; L605-Y647 HydrophobicContact CD2-CD1 3.5Å; L605-Y647 HydrophobicContact CD2-CD2 4.08Å; L605-Y647 HydrophobicContact CD2-CE1 3.71Å; L605-Y647 HydrophobicContact CD2-CE2 4.29Å; L605-Y647 HydrophobicContact CD2-CG 3.71Å; S643-Y647 WeakPolarHBondContact CA-O 3.46Å; T644-Y647 PolarHBondContact N-O 2.81Å; T644-Y647 PolarHBondContact OG1-N 2.67Å; T644-Y647 PolarHBondContact OG1-O 2.95Å; Y647-V650 HydrophobicContact CG-CG2 4.35Å
648	A	81.4	Confident	87.2	Confident	90 Å²	90	53.5 Å²	53.5	74%	0.744	29%	0.294	S	S	*	.	S	Bend	trans	-90.9	132.9	171.5	0	0	0	0	0	110.3
649	K	85.7	Confident	87.4	Confident	153 Å²	153	52.4 Å²	52.4	67%	0.665	29%	0.29	S	S	*	.	S	Bend	trans	57.4	53.3	172.1	-59.3	-177	177.3	179.5	0	115.9	Y641 S643 P651	Y641-K649 HydrophobicContact CD1-CB 4.11Å; Y641-K649 HydrophobicContact CG-CB 4.4Å; S643-K649 PolarHBondContact OG-N 2.77Å; S643-K649 VanDerWaalsContact OG-N 3.12Å; K649-P651 WeakPolarHBondContact O-CD 3.49Å
650	V	91	Very high	87.6	Confident	6 Å²	6	51.3 Å²	51.3	4%	0.036	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	123.3	168.4	-178.3	0	0	0	0	109.6	L592 L605 L607 Y641 Y642 Y647	L592-V650 HydrophobicContact CD1-CB 4.49Å; L592-V650 HydrophobicContact CD1-CG1 3.6Å; L592-V650 HydrophobicContact CD1-CG2 4.33Å; L605-V650 HydrophobicContact CD2-CG2 4.07Å; L605-V650 HydrophobicContact CG-CG1 4.36Å; L605-V650 WeakPolarHBondContact O-CG1 3.34Å; L607-V650 HydrophobicContact CB-CG1 4.41Å; Y641-V650 CarbonylContact C-O 3.49Å; Y641-V650 VanDerWaalsContact CA-O 3.27Å; Y641-V650 WeakPolarHBondContact CA-O 3.47Å; Y642-V650 PolarHBondContact N-O 3.2Å; Y642-V650 WeakPolarHBondContact O-CB 3.43Å; Y642-V650 PolarHBondContact O-N 2.76Å; Y647-V650 HydrophobicContact CG-CG2 4.35Å
651	P	91.1	Very high	87.7	Confident	32 Å²	32	50.5 Å²	50.5	21%	0.208	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	142.2	174.5	-20.1	31.7	0	0	0	112.6	L605 N606 L607 Y641 K649 N654	L605-P651 WeakPolarHBondContact O-CD 3.43Å; N606-P651 WeakPolarHBondContact CA-O 3.44Å; L607-P651 PolarHBondContact N-O 3.49Å; Y641-P651 HydrophobicContact CE1-CG 4.4Å; K649-P651 WeakPolarHBondContact O-CD 3.49Å; P651-N654 WeakPolarHBondContact CB-ND2 3.46Å
652	V	90.8	Very high	87.5	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-109.7	137.6	-176.9	177.3	0	0	0	0	110.8	L607 R635 Y638 G639 A640 N654	L607-V652 HydrophobicContact CB-CG2 4.27Å; L607-V652 HydrophobicContact CD2-CG1 4.4Å; L607-V652 HydrophobicContact CD2-CG2 4.16Å; L607-V652 CarbonylContact O-C 3.4Å; R635-V652 WeakPolarHBondContact CD-O 3.42Å; R635-V652 PolarHBondContact NH1-O 3.01Å; Y638-V652 HydrophobicContact CD2-CG1 4.47Å; G639-V652 VanDerWaalsContact O-CB 3.25Å; G639-V652 WeakPolarHBondContact O-CB 3.45Å; G639-V652 WeakPolarHBondContact O-CG2 3.49Å; A640-V652 PolarHBondContact O-N 2.88Å; V652-N654 PolarHBondContact O-N 3.16Å
653	A	91.1	Very high	87.2	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.257	C	S	.	.	S	Bend	trans	59.2	14.5	170.5	0	0	0	0	0	115.5	Y391 L607 L631 A634 R635 A655	Y391-A653 PolarHBondContact OH-O 3.43Å; L607-A653 PolarHBondContact O-N 2.95Å; L631-A653 HydrophobicContact CB-CB 4.43Å; L631-A653 HydrophobicContact CD2-CB 4.03Å; L631-A653 WeakPolarHBondContact CD2-O 3.21Å; L631-A653 WeakPolarHBondContact O-CB 3.33Å; A634-A653 HydrophobicContact CB-CB 4.25Å; R635-A653 HydrophobicContact CB-CB 3.98Å; A653-A655 PolarHBondContact O-N 2.71Å; A653-A655 VanDerWaalsContact O-N 3.08Å
654	N	89.4	Confident	86.4	Confident	61 Å²	61	47.2 Å²	47.2	33%	0.326	26%	0.257	S	S	.	.	S	Bend	trans	-61.7	-16.9	174.6	-76.6	1.9	0	0	0	113.2	Y391 N606 R635 P651 V652 Y682 P683	Y391-N654 PolarHBondContact OH-N 2.92Å; N606-N654 PolarHBondContact OD1-ND2 2.97Å; R635-N654 PolarHBondContact NH1-OD1 3.39Å; P651-N654 WeakPolarHBondContact CB-ND2 3.46Å; V652-N654 PolarHBondContact O-N 3.16Å; N654-Y682 WeakPolarHBondContact O-CD1 3.47Å; N654-P683 WeakPolarHBondContact O-CD 3.31Å
655	A	91.3	Very high	85.6	Confident	1 Å²	1	48 Å²	48	1%	0.008	26%	0.259	C	S	.	.			trans	-149.1	160.6	167.1	0	0	0	0	0	108.8	I595 I608 L631 A653 I680 L681 Y682	I595-A655 HydrophobicContact CD1-CB 3.95Å; I608-A655 VanDerWaalsContact CB-O 3.22Å; I608-A655 WeakPolarHBondContact CB-O 3.35Å; I608-A655 HydrophobicContact CG2-CB 4.35Å; I608-A655 WeakPolarHBondContact CG2-O 3.44Å; L631-A655 WeakPolarHBondContact CD2-O 3.48Å; A653-A655 PolarHBondContact O-N 2.71Å; A653-A655 VanDerWaalsContact O-N 3.08Å; A655-I680 HydrophobicContact CB-CG2 3.98Å; A655-L681 CarbonylContact C-O 3.56Å; A655-L681 VanDerWaalsContact CA-O 3.28Å; A655-L681 WeakPolarHBondContact CA-O 3.38Å; A655-Y682 HydrophobicContact CB-CD1 4.03Å; A655-Y682 HydrophobicContact CB-CE1 3.95Å
656	G	93.2	Very high	84.3	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	158.4	168	0	0	0	0	0	109.5	P609 L631 I680 L681	P609-G656 WeakPolarHBondContact O-CA 3.13Å; L631-G656 VanDerWaalsContact CD2-N 3.33Å; G656-I680 WeakPolarHBondContact O-CA 3.3Å; G656-L681 PolarHBondContact N-O 3.35Å; G656-L681 PolarHBondContact O-N 3.33Å
657	W	94.5	Very high	82.5	Confident	7 Å²	7	49.5 Å²	49.5	3%	0.027	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	117	-174.8	-164.4	5.5	0	0	0	111.6	W543 H547 V564 V566 I608 P609 M610 E611 V659 I680	W543-W657 HydrophobicContact CH2-CZ3 4.44Å; W543-W657 HydrophobicContact CZ2-CE3 4.49Å; W543-W657 AromaticContact CZ2-CH2 3.63Å; W543-W657 HydrophobicContact CZ2-CH2 3.63Å; W543-W657 HydrophobicContact CZ2-CZ2 4.32Å; W543-W657 AromaticContact CZ2-CZ3 3.74Å; W543-W657 HydrophobicContact CZ2-CZ3 3.74Å; H547-W657 HydrophobicContact CB-CH2 4.1Å; H547-W657 AromaticContact CD2-CH2 3.89Å; H547-W657 AromaticContact CE1-CH2 3.86Å; H547-W657 AromaticContact CE1-CZ2 3.82Å; H547-W657 AromaticContact CG-CH2 3.62Å; H547-W657 AromaticContact ND1-CH2 3.61Å; H547-W657 AromaticContact NE2-CZ2 3.89Å; V564-W657 HydrophobicContact CB-CH2 4.07Å; V564-W657 HydrophobicContact CB-CZ2 4.43Å; V564-W657 HydrophobicContact CB-CZ3 4.23Å; V564-W657 HydrophobicContact CG1-CE3 4.17Å; V564-W657 HydrophobicContact CG1-CH2 4.12Å; V564-W657 HydrophobicContact CG1-CZ3 3.77Å; V566-W657 HydrophobicContact CG2-CZ3 4.04Å; I608-W657 HydrophobicContact CD1-CB 4.11Å; I608-W657 HydrophobicContact CD1-CE3 4.3Å; P609-W657 PolarHBondContact O-N 3.14Å; M610-W657 CarbonylContact C-O 3.49Å; M610-W657 VanDerWaalsContact CA-O 3.24Å; M610-W657 WeakPolarHBondContact CA-O 3.15Å; M610-W657 HydrophobicContact CB-CB 4.34Å; M610-W657 HydrophobicContact CG-CB 4.06Å; M610-W657 HydrophobicContact CG-CG 4.43Å; M610-W657 WeakPolarHBondContact CG-O 3.05Å; M610-W657 HydrophobicContact SD-CE3 4.16Å; E611-W657 PolarHBondContact N-O 2.81Å; W657-V659 HydrophobicContact CD2-CG2 3.64Å; W657-V659 HydrophobicContact CE3-CG2 4.34Å; W657-V659 HydrophobicContact CG-CG2 3.72Å; W657-V659 HydrophobicContact CZ2-CG2 4.11Å; W657-I680 HydrophobicContact CB-CD1 3.82Å; W657-I680 HydrophobicContact CD2-CD1 3.91Å; W657-I680 HydrophobicContact CG-CD1 3.49Å; W657-I680 VanDerWaalsContact CG-CD1 3.49Å
658	L	94	Very high	80.2	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	110.4	169.2	179.8	58.4	0	0	0	109.4	E611 K613 Y619 H623 V627 Y660 G679 L681	E611-L658 HydrophobicContact CB-CD1 4.12Å; E611-L658 HydrophobicContact CG-CD1 3.96Å; K613-L658 HydrophobicContact CG-CD1 3.93Å; Y619-L658 HydrophobicContact CD1-CD2 4.03Å; H623-L658 HydrophobicContact CB-CD1 4.06Å; H623-L658 HydrophobicContact CB-CD2 3.75Å; V627-L658 HydrophobicContact CG2-CB 4.06Å; V627-L658 HydrophobicContact CG2-CD1 4.42Å; L658-Y660 HydrophobicContact CD1-CE2 4.3Å; L658-Y660 HydrophobicContact CD2-CE2 3.69Å; L658-Y660 HydrophobicContact CG-CD2 4.27Å; L658-Y660 HydrophobicContact CG-CE2 3.72Å; L658-G679 PolarHBondContact N-O 2.78Å; L658-G679 WeakPolarHBondContact O-CA 3.42Å; L658-L681 HydrophobicContact CB-CD1 4.47Å
659	V	91.7	Very high	78.4	Confident	6 Å²	6	53.8 Å²	53.8	4%	0.036	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127.2	-177.1	176.9	0	0	0	0	110.6	M610 E611 L612 K613 W657	M610-V659 HydrophobicContact CG-CB 4.49Å; M610-V659 HydrophobicContact CG-CG2 3.83Å; M610-V659 HydrophobicContact SD-CB 4.31Å; M610-V659 HydrophobicContact SD-CG2 3.56Å; M610-V659 VanDerWaalsContact SD-CG2 3.56Å; E611-V659 PolarHBondContact O-N 2.76Å; L612-V659 CarbonylContact C-O 3.57Å; L612-V659 HydrophobicContact CD1-CB 4.11Å; L612-V659 HydrophobicContact CD1-CG1 3.89Å; K613-V659 PolarHBondContact N-O 3.46Å; W657-V659 HydrophobicContact CD2-CG2 3.64Å; W657-V659 HydrophobicContact CE3-CG2 4.34Å; W657-V659 HydrophobicContact CG-CG2 3.72Å; W657-V659 HydrophobicContact CZ2-CG2 4.11Å
660	Y	91.1	Very high	76	Confident	8 Å²	8	55.4 Å²	55.4	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	117.3	169.6	-71.4	-90	0	0	0	110.4	K613 N616 P617 T618 Y619 H623 L658 K662 E663	K613-Y660 HydrophobicContact CB-CD1 3.56Å; K613-Y660 HydrophobicContact CB-CE1 3.67Å; K613-Y660 HydrophobicContact CB-CG 4.28Å; K613-Y660 HydrophobicContact CG-CD1 4.4Å; K613-Y660 HydrophobicContact CG-CE1 4.07Å; K613-Y660 WeakPolarHBondContact O-CA 3.11Å; N616-Y660 WeakPolarHBondContact O-CD1 3.45Å; N616-Y660 WeakPolarHBondContact O-CE1 3.46Å; P617-Y660 HydrophobicContact CB-CD1 4.33Å; P617-Y660 HydrophobicContact CB-CD2 4.1Å; P617-Y660 HydrophobicContact CB-CE2 4.47Å; P617-Y660 HydrophobicContact CB-CG 4Å; T618-Y660 PolarHBondContact N-OH 2.79Å; T618-Y660 PolarHBondContact OG1-OH 2.9Å; Y619-Y660 WeakPolarHBondContact CA-OH 3.41Å; Y619-Y660 AromaticContact CD1-CE2 3.82Å; Y619-Y660 HydrophobicContact CD1-CE2 3.82Å; Y619-Y660 AromaticContact CE1-CD2 3.99Å; Y619-Y660 HydrophobicContact CE1-CD2 3.99Å; Y619-Y660 AromaticContact CE1-CE2 3.76Å; Y619-Y660 HydrophobicContact CE1-CE2 3.76Å; Y619-Y660 HydrophobicContact CG-CE2 4.22Å; Y619-Y660 PolarHBondContact N-OH 2.71Å; H623-Y660 AromaticContact ND1-CE1 3.72Å; H623-Y660 AromaticContact ND1-CZ 3.47Å; H623-Y660 PolarHBondContact ND1-OH 3.36Å; L658-Y660 HydrophobicContact CD1-CE2 4.3Å; L658-Y660 HydrophobicContact CD2-CE2 3.69Å; L658-Y660 HydrophobicContact CG-CD2 4.27Å; L658-Y660 HydrophobicContact CG-CE2 3.72Å; Y660-K662 PolarHBondContact O-N 3.22Å; Y660-E663 VanDerWaalsContact O-CB 3.29Å; Y660-E663 WeakPolarHBondContact O-CB 3.34Å; Y660-E663 PolarHBondContact O-N 3.29Å; Y660-E663 VanDerWaalsContact O-N 3.1Å
661	L	87.1	Confident	73.4	Confident	12 Å²	12	64 Å²	64	6%	0.063	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-19	-179	-69.1	177.6	0	0	0	114.2	V484 F488 F536 I540 L612 K613	V484-L661 HydrophobicContact CG1-CD1 3.54Å; F488-L661 HydrophobicContact CD2-CD1 4.42Å; F488-L661 HydrophobicContact CD2-CD2 3.82Å; F488-L661 HydrophobicContact CE2-CD2 3.9Å; F536-L661 HydrophobicContact CD1-CB 4.21Å; F536-L661 HydrophobicContact CD1-CD1 4.28Å; F536-L661 HydrophobicContact CE1-CB 4.33Å; I540-L661 HydrophobicContact CG1-CD1 4.33Å; I540-L661 HydrophobicContact CG1-CD2 4.41Å; L612-L661 HydrophobicContact CD1-CD1 4.13Å; L612-L661 HydrophobicContact CD1-CD2 3.93Å; L612-L661 HydrophobicContact CD1-CG 3.73Å; L612-L661 HydrophobicContact CD2-CD1 4.37Å; L612-L661 HydrophobicContact CG-CD1 4.49Å; K613-L661 PolarHBondContact O-N 3.24Å
662	K	84.4	Confident	70.5	Confident	80 Å²	80	69.9 Å²	69.9	35%	0.348	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	2.5	176	-65.5	-167.8	178.8	-166.4	0	113.3	F536 T614 N616 Y660	F536-K662 HydrophobicContact CE1-CG 4.05Å; F536-K662 VanDerWaalsContact CZ-CE 3.46Å; T614-K662 WeakPolarHBondContact O-CE 3.5Å; N616-K662 WeakPolarHBondContact OD1-CD 3.49Å; Y660-K662 PolarHBondContact O-N 3.22Å
663	E	80.8	Confident	68	Low	41 Å²	41	77.9 Å²	77.9	19%	0.192	37%	0.373	C	S	.	.	S	Bend	trans	-68.2	129	176.2	-168.4	174	-179.7	0	0	110.2	Y619 Y660 I665 P678	Y619-E663 PolarHBondContact OH-OE1 2.98Å; Y619-E663 PolarHBondContact OH-OE2 2.69Å; Y660-E663 VanDerWaalsContact O-CB 3.29Å; Y660-E663 WeakPolarHBondContact O-CB 3.34Å; Y660-E663 PolarHBondContact O-N 3.29Å; Y660-E663 VanDerWaalsContact O-N 3.1Å; E663-I665 PolarHBondContact O-N 2.97Å; E663-I665 VanDerWaalsContact O-N 3.07Å; E663-P678 WeakPolarHBondContact OE1-CB 3.29Å; E663-P678 WeakPolarHBondContact OE1-CG 3.4Å
664	P	66.8	Low	65.6	Low	78 Å²	78	82.1 Å²	82.1	51%	0.506	40%	0.403	S	S	.	.			trans	-69.9	108.2	-178.2	26.8	-32.8	0	0	0	110.5	K666	P664-K666 PolarHBondContact O-N 3.04Å
665	I	61.9	Low	63.3	Low	61 Å²	61	85 Å²	85	31%	0.313	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-33.7	178.2	-61.6	165.2	0	0	0	110.9	D542 E663 F669	D542-I665 HydrophobicContact CB-CD1 3.74Å; E663-I665 PolarHBondContact O-N 2.97Å; E663-I665 VanDerWaalsContact O-N 3.07Å; I665-F669 WeakPolarHBondContact O-CE2 3.47Å
666	K	51	Low	61.3	Low	167 Å²	167	89.3 Å²	89.3	73%	0.726	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-10.8	-164.2	-70.5	-174.1	178.9	177.1	0	117.9	P664	P664-K666 PolarHBondContact O-N 3.04Å
667	Q	41.4	Very low	59.8	Low	166 Å²	166	90.3 Å²	90.3	78%	0.776	44%	0.444	S	S	*	.	S	Bend	trans	-104.9	-5.5	-169.4	-81.2	-176.7	-3.1	0	0	117.2
668	N	35.2	Very low	58.7	Low	124 Å²	124	92.8 Å²	92.8	66%	0.663	46%	0.461	S	S	*	.	S	Bend	trans	-90.3	0.9	174	-79.2	-18.1	0	0	0	114.4	Q670	N668-Q670 PolarHBondContact O-N 2.85Å
669	F	43.3	Very low	58.3	Low	126 Å²	126	93.3 Å²	93.3	55%	0.553	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-14.5	-174.1	-73.4	-69.3	0	0	0	115.7	I665	I665-F669 WeakPolarHBondContact O-CE2 3.47Å
670	Q	34.9	Very low	58.2	Low	188 Å²	188	94 Å²	94	88%	0.879	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.7	-6.2	-173	-85.6	-174.3	-17.9	0	0	117	N668	N668-Q670 PolarHBondContact O-N 2.85Å
671	K	37.5	Very low	58.2	Low	186 Å²	186	94.5 Å²	94.5	81%	0.809	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.9	-9.6	-174.4	-80.9	-171.5	175.9	-179.6	0	118.9
672	H	30	Very low	58.3	Low	155 Å²	155	97.8 Å²	97.8	72%	0.718	49%	0.485	S	S	*	.			trans	-143.2	112.3	172.6	-73.5	-73.2	0	0	0	112.2	S674	H672-S674 PolarHBondContact O-N 3.33Å
673	I	38.6	Very low	58.5	Low	168 Å²	168	96.2 Å²	96.2	86%	0.862	48%	0.483	S	S	*	.			trans	-73.7	7.3	171.6	-67.3	168.9	0	0	0	111.3	F675	I673-F675 WeakPolarHBondContact O-CD2 3.42Å; I673-F675 PolarHBondContact O-N 3.35Å; I673-F675 VanDerWaalsContact O-N 3.08Å
674	S	39.9	Very low	58.8	Low	89 Å²	89	96.8 Å²	96.8	62%	0.622	49%	0.488	S	S	*	.			trans	-82.7	88.9	176.2	57.9	0	0	0	0	112	H672	H672-S674 PolarHBondContact O-N 3.33Å
675	F	40.4	Very low	59.6	Low	123 Å²	123	94.6 Å²	94.6	54%	0.539	47%	0.471	S	S	.	.			trans	11.8	110.4	145.2	-69.2	-95.3	0	0	0	118.1	I673	I673-F675 WeakPolarHBondContact O-CD2 3.42Å; I673-F675 PolarHBondContact O-N 3.35Å; I673-F675 VanDerWaalsContact O-N 3.08Å
676	T	50.8	Low	60.8	Low	91 Å²	91	95.8 Å²	95.8	56%	0.558	48%	0.478	S	S	*	.			trans	158.1	139.9	135.5	39.4	0	0	0	0	108.7	I598	I598-T676 HydrophobicContact CD1-CG2 3.84Å; I598-T676 HydrophobicContact CG1-CG2 4.22Å
677	N	61.8	Low	62.6	Low	21 Å²	21	89.1 Å²	89.1	11%	0.112	45%	0.453	C	S	.	.			trans	-61.4	127.4	168.2	-73.6	-73.8	0	0	0	108	N562 Q563 V564 G679 I680	N562-N677 PolarHBondContact O-ND2 2.64Å; Q563-N677 WeakPolarHBondContact CA-OD1 3.31Å; V564-N677 HydrophobicContact CG2-CB 3.98Å; V564-N677 VanDerWaalsContact CG2-ND2 3.27Å; V564-N677 WeakPolarHBondContact CG2-ND2 3.47Å; V564-N677 PolarHBondContact N-ND2 3.3Å; N677-G679 PolarHBondContact O-N 2.81Å; N677-I680 HydrophobicContact CB-CG1 3.78Å; N677-I680 PolarHBondContact O-N 2.94Å
678	P	69.7	Low	65	Low	58 Å²	58	81.3 Å²	81.3	38%	0.377	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	136.9	-179.9	22.5	-31.4	0	0	0	110.2	E663 I680	E663-P678 WeakPolarHBondContact OE1-CB 3.29Å; E663-P678 WeakPolarHBondContact OE1-CG 3.4Å; P678-I680 PolarHBondContact O-N 2.81Å
679	G	85.8	Confident	67.6	Low	12 Å²	12	77.4 Å²	77.4	12%	0.124	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	83	-0.3	178.1	0	0	0	0	0	116.6	L658 N677 L681	L658-G679 PolarHBondContact N-O 2.78Å; L658-G679 WeakPolarHBondContact O-CA 3.42Å; N677-G679 PolarHBondContact O-N 2.81Å; G679-L681 PolarHBondContact O-N 3.26Å
680	I	89.7	Confident	69.9	Low	20 Å²	20	72.5 Å²	72.5	10%	0.103	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	122.9	168	-62.2	-65.9	0	0	0	109.3	V564 A655 G656 W657 N677 P678 Y682	V564-I680 HydrophobicContact CG2-CD1 3.77Å; V564-I680 HydrophobicContact CG2-CG1 4.03Å; A655-I680 HydrophobicContact CB-CG2 3.98Å; G656-I680 WeakPolarHBondContact O-CA 3.3Å; W657-I680 HydrophobicContact CB-CD1 3.82Å; W657-I680 HydrophobicContact CD2-CD1 3.91Å; W657-I680 HydrophobicContact CG-CD1 3.49Å; W657-I680 VanDerWaalsContact CG-CD1 3.49Å; N677-I680 HydrophobicContact CB-CG1 3.78Å; N677-I680 PolarHBondContact O-N 2.94Å; P678-I680 PolarHBondContact O-N 2.81Å; I680-Y682 HydrophobicContact CG2-CD2 4.44Å; I680-Y682 HydrophobicContact CG2-CE1 4.44Å; I680-Y682 HydrophobicContact CG2-CE2 3.81Å
681	L	91	Very high	72.8	Confident	19 Å²	19	64 Å²	64	10%	0.099	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.5	-179.4	-61.7	173.3	0	0	0	108.9	K624 V627 Y628 A655 G656 L658 G679	K624-L681 HydrophobicContact CB-CD1 4.02Å; K624-L681 HydrophobicContact CD-CD2 4.38Å; K624-L681 HydrophobicContact CG-CD1 4.05Å; K624-L681 HydrophobicContact CG-CD2 4.29Å; V627-L681 HydrophobicContact CB-CD1 3.75Å; V627-L681 HydrophobicContact CG1-CB 4.28Å; V627-L681 HydrophobicContact CG1-CD1 3.91Å; V627-L681 HydrophobicContact CG2-CD1 4.17Å; Y628-L681 HydrophobicContact CE1-CB 4.27Å; A655-L681 CarbonylContact C-O 3.56Å; A655-L681 VanDerWaalsContact CA-O 3.28Å; A655-L681 WeakPolarHBondContact CA-O 3.38Å; G656-L681 PolarHBondContact N-O 3.35Å; G656-L681 PolarHBondContact O-N 3.33Å; L658-L681 HydrophobicContact CB-CD1 4.47Å; G679-L681 PolarHBondContact O-N 3.26Å
682	Y	90.2	Very high	75.5	Confident	80 Å²	80	55.1 Å²	55.1	31%	0.314	30%	0.299	S	S	.	.			trans	-97.4	150	176	-65.7	-83.2	0	0	0	110	Y628 N654 A655 I680 D684	Y628-Y682 WeakPolarHBondContact CE1-O 3.21Å; N654-Y682 WeakPolarHBondContact O-CD1 3.47Å; A655-Y682 HydrophobicContact CB-CD1 4.03Å; A655-Y682 HydrophobicContact CB-CE1 3.95Å; I680-Y682 HydrophobicContact CG2-CD2 4.44Å; I680-Y682 HydrophobicContact CG2-CE1 4.44Å; I680-Y682 HydrophobicContact CG2-CE2 3.81Å; Y682-D684 PolarHBondContact O-N 3.33Å
683	P	87.6	Confident	78.6	Confident	47 Å²	47	48.6 Å²	48.6	31%	0.305	27%	0.269	S	S	.	.			trans	-46.7	124.6	175.4	-29.2	34.7	0	0	0	112.5	Y391 L631 N654 F688	Y391-P683 HydrophobicContact CD2-CB 4.32Å; Y391-P683 HydrophobicContact CE1-CG 4.4Å; Y391-P683 HydrophobicContact CE2-CB 3.94Å; Y391-P683 HydrophobicContact CE2-CG 3.69Å; Y391-P683 WeakPolarHBondContact OH-CG 3.48Å; L631-P683 HydrophobicContact CD1-CG 4.36Å; N654-P683 WeakPolarHBondContact O-CD 3.31Å; P683-F688 HydrophobicContact CB-CE2 3.79Å; P683-F688 HydrophobicContact CB-CZ 3.76Å
684	D	86.8	Confident	81.3	Confident	53 Å²	53	41.3 Å²	41.3	28%	0.283	23%	0.232	S	C	.	.			trans	-125.4	118.1	177.5	171.9	45.5	0	0	0	110.1	Y628 Y682 N686 S687 F688	Y628-D684 HydrophobicContact CE1-CB 4.13Å; Y682-D684 PolarHBondContact O-N 3.33Å; D684-N686 PolarHBondContact O-N 3.42Å; D684-S687 PolarHBondContact O-N 3.24Å; D684-S687 WeakPolarHBondContact OD2-CB 3.41Å; D684-S687 PolarHBondContact OD2-N 3.26Å; D684-S687 PolarHBondContact OD2-OG 2.77Å; D684-F688 WeakPolarHBondContact O-CD2 3.36Å; D684-F688 WeakPolarHBondContact O-CG 2.94Å; D684-F688 PolarHBondContact O-N 3.09Å
685	I	83.7	Confident	84	Confident	32 Å²	32	37.1 Å²	37.1	16%	0.164	20%	0.203	C	C	.	.	H	α-helix	trans	-63.9	-41.4	-173.5	-70.1	168.2	0	0	0	111.4	N416 C418 F688 R689	N416-I685 HydrophobicContact CB-CD1 3.81Å; C418-I685 HydrophobicContact CB-CG2 3.68Å; I685-F688 PolarHBondContact O-N 3.03Å; I685-R689 PolarHBondContact O-N 3.15Å
686	N	87	Confident	86.7	Confident	86 Å²	86	31.3 Å²	31.3	46%	0.46	18%	0.178	S	C	.	.	H	α-helix	trans	-66.5	-41	-179	-71.2	-40.2	0	0	0	111	D684 R689 G690	D684-N686 PolarHBondContact O-N 3.42Å; N686-R689 PolarHBondContact O-N 3.32Å; N686-R689 PolarHBondContact OD1-NH2 2.94Å; N686-G690 PolarHBondContact O-N 3.29Å
687	S	89.5	Confident	88.8	Confident	28 Å²	28	30.9 Å²	30.9	20%	0.196	17%	0.166	C	C	.	.	H	α-helix	trans	-60.8	-46	172.4	-66.8	0	0	0	0	111.7	Y628 D684 R689 G690 L691	Y628-S687 WeakPolarHBondContact CE2-OG 3.45Å; D684-S687 PolarHBondContact O-N 3.24Å; D684-S687 WeakPolarHBondContact OD2-CB 3.41Å; D684-S687 PolarHBondContact OD2-N 3.26Å; D684-S687 PolarHBondContact OD2-OG 2.77Å; S687-R689 PolarHBondContact O-N 3Å; S687-G690 PolarHBondContact O-N 3.15Å; S687-L691 WeakPolarHBondContact O-CB 3.37Å; S687-L691 WeakPolarHBondContact O-CD1 3.34Å; S687-L691 WeakPolarHBondContact O-CG 3.45Å; S687-L691 PolarHBondContact O-N 3.27Å
688	F	91.5	Very high	90.5	Very high	2 Å²	2	30 Å²	30	1%	0.009	16%	0.161	C	C	.	.	H	α-helix	trans	-60.1	-45.6	177.1	-62.2	-26	0	0	0	112.1	V390 Y391 Y628 L631 M632 P683 D684 I685 L691 I692	V390-F688 HydrophobicContact CG1-CB 4.02Å; Y391-F688 AromaticContact CD2-CE2 3.54Å; Y391-F688 HydrophobicContact CD2-CE2 3.54Å; Y391-F688 AromaticContact CD2-CZ 3.86Å; Y391-F688 HydrophobicContact CD2-CZ 3.86Å; Y391-F688 HydrophobicContact CE2-CE2 4.27Å; Y391-F688 HydrophobicContact CE2-CZ 4.23Å; Y391-F688 HydrophobicContact CG-CE2 4.14Å; Y628-F688 AromaticContact CD1-CE1 3.89Å; Y628-F688 HydrophobicContact CD1-CE1 3.89Å; Y628-F688 HydrophobicContact CG-CE1 4.23Å; Y628-F688 WeakPolarHBondContact O-CE1 3.39Å; L631-F688 HydrophobicContact CB-CZ 4.36Å; L631-F688 HydrophobicContact CD1-CZ 4.42Å; M632-F688 HydrophobicContact CG-CD1 3.9Å; M632-F688 HydrophobicContact CG-CE1 3.92Å; M632-F688 HydrophobicContact CG-CG 4.26Å; M632-F688 HydrophobicContact CG-CZ 4.28Å; M632-F688 HydrophobicContact SD-CB 4.03Å; M632-F688 HydrophobicContact SD-CD1 3.53Å; M632-F688 VanDerWaalsContact SD-CD1 3.53Å; M632-F688 HydrophobicContact SD-CE1 4.13Å; M632-F688 HydrophobicContact SD-CG 3.86Å; P683-F688 HydrophobicContact CB-CE2 3.79Å; P683-F688 HydrophobicContact CB-CZ 3.76Å; D684-F688 WeakPolarHBondContact O-CD2 3.36Å; D684-F688 WeakPolarHBondContact O-CG 2.94Å; D684-F688 PolarHBondContact O-N 3.09Å; I685-F688 PolarHBondContact O-N 3.03Å; F688-L691 PolarHBondContact O-N 3.25Å; F688-I692 WeakPolarHBondContact O-CG1 3.3Å; F688-I692 PolarHBondContact O-N 2.88Å
689	R	89.9	Confident	91.7	Very high	41 Å²	41	27.2 Å²	27.2	16%	0.155	14%	0.143	C	C	.	.	H	α-helix	trans	-57.1	-53.8	175	177.9	176.5	68.3	-146.5	-5.1	111.4	W373 D408 I685 N686 S687 L691 I692 Q693	W373-R689 HydrophobicContact CZ2-CG 3.72Å; D408-R689 PolarHBondContact O-NH1 2.91Å; D408-R689 VanDerWaalsContact OD1-CD 3.28Å; D408-R689 WeakPolarHBondContact OD1-CD 3.46Å; D408-R689 IonicContact OD1-CZ 3.7Å; D408-R689 IonicContact OD1-NE 3.96Å; D408-R689 PolarHBondContact OD1-NE 2.86Å; D408-R689 IonicContact OD1-NH1 3.07Å; D408-R689 PolarHBondContact OD1-NH1 3.49Å; I685-R689 PolarHBondContact O-N 3.15Å; N686-R689 PolarHBondContact O-N 3.32Å; N686-R689 PolarHBondContact OD1-NH2 2.94Å; S687-R689 PolarHBondContact O-N 3Å; R689-L691 VanDerWaalsContact C-N 3.3Å; R689-L691 PolarHBondContact O-N 2.84Å; R689-I692 PolarHBondContact O-N 2.98Å; R689-Q693 WeakPolarHBondContact O-CG 3.47Å; R689-Q693 PolarHBondContact O-N 3.06Å
690	G	92.1	Very high	92.2	Very high	23 Å²	23	26.9 Å²	26.9	24%	0.237	14%	0.139	C	C	.	.	H	α-helix	trans	-60.4	-37.1	-178.4	0	0	0	0	0	113.1	N686 S687 T694	N686-G690 PolarHBondContact O-N 3.29Å; S687-G690 PolarHBondContact O-N 3.15Å; G690-T694 WeakPolarHBondContact O-CB 3.47Å; G690-T694 PolarHBondContact O-N 2.92Å; G690-T694 PolarHBondContact O-OG1 3.08Å
691	L	95.2	Very high	92.5	Very high	10 Å²	10	26.2 Å²	26.2	5%	0.052	14%	0.137	C	C	.	.	H	α-helix	trans	-68.3	-39.9	176.1	-71.8	165.6	0	0	0	112.5	V435 Y628 L629 S687 F688 R689 T694 R695	V435-L691 HydrophobicContact CG1-CD2 4.03Å; Y628-L691 HydrophobicContact CD2-CD1 4.43Å; Y628-L691 HydrophobicContact CG-CD1 4.46Å; L629-L691 HydrophobicContact CD2-CB 3.94Å; L629-L691 HydrophobicContact CD2-CD1 4.04Å; L629-L691 HydrophobicContact CD2-CG 4.43Å; L629-L691 HydrophobicContact CG-CD1 4.11Å; S687-L691 WeakPolarHBondContact O-CB 3.37Å; S687-L691 WeakPolarHBondContact O-CD1 3.34Å; S687-L691 WeakPolarHBondContact O-CG 3.45Å; S687-L691 PolarHBondContact O-N 3.27Å; F688-L691 PolarHBondContact O-N 3.25Å; R689-L691 VanDerWaalsContact C-N 3.3Å; R689-L691 PolarHBondContact O-N 2.84Å; L691-T694 PolarHBondContact O-N 3.27Å; L691-R695 WeakPolarHBondContact O-CB 3.31Å; L691-R695 PolarHBondContact O-N 3.21Å
692	I	94.5	Very high	92.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-68.4	-40.6	175.8	-66.2	-63.1	0	0	0	111.6	W373 V390 A420 L581 M632 F688 R689 T694 R695 N696	W373-I692 HydrophobicContact CH2-CB 4.37Å; W373-I692 HydrophobicContact CH2-CG2 3.88Å; W373-I692 HydrophobicContact CZ3-CG2 4.34Å; V390-I692 HydrophobicContact CG1-CG1 4.21Å; A420-I692 HydrophobicContact CB-CG2 4.33Å; L581-I692 HydrophobicContact CD2-CD1 4.08Å; M632-I692 HydrophobicContact CE-CD1 3.73Å; M632-I692 HydrophobicContact CE-CG1 4.01Å; F688-I692 WeakPolarHBondContact O-CG1 3.3Å; F688-I692 PolarHBondContact O-N 2.88Å; R689-I692 PolarHBondContact O-N 2.98Å; I692-T694 VanDerWaalsContact C-N 3.35Å; I692-T694 PolarHBondContact O-N 3.17Å; I692-R695 WeakPolarHBondContact O-CB 3.31Å; I692-R695 PolarHBondContact O-N 3.42Å; I692-N696 VanDerWaalsContact O-CG 3.3Å; I692-N696 PolarHBondContact O-N 3.17Å
693	Q	94.8	Very high	92.9	Very high	17 Å²	17	22 Å²	22	8%	0.079	12%	0.12	C	C	.	.	H	α-helix	trans	-61.2	-44.3	172.9	-71.4	171	-19.4	0	0	111.7	S372 W373 R689 R695 N696 R697	S372-Q693 PolarHBondContact O-NE2 2.89Å; S372-Q693 VanDerWaalsContact O-NE2 3.07Å; S372-Q693 PolarHBondContact OG-NE2 2.72Å; W373-Q693 HydrophobicContact CD2-CG 4.36Å; W373-Q693 HydrophobicContact CE3-CG 3.93Å; W373-Q693 HydrophobicContact CH2-CG 3.95Å; W373-Q693 HydrophobicContact CZ2-CG 4.39Å; W373-Q693 HydrophobicContact CZ3-CG 3.71Å; R689-Q693 WeakPolarHBondContact O-CG 3.47Å; R689-Q693 PolarHBondContact O-N 3.06Å; Q693-R695 VanDerWaalsContact C-N 3.33Å; Q693-R695 PolarHBondContact O-N 3.36Å; Q693-N696 WeakPolarHBondContact O-CB 3.42Å; Q693-N696 PolarHBondContact O-N 3.28Å; Q693-N696 VanDerWaalsContact O-N 3.17Å; Q693-R697 WeakPolarHBondContact O-CG 3.18Å; Q693-R697 PolarHBondContact O-N 3.44Å
694	T	95.1	Very high	93.2	Very high	15 Å²	15	21.3 Å²	21.3	9%	0.092	11%	0.114	C	C	.	.	H	α-helix	trans	-58.8	-45.2	175.3	-61.8	0	0	0	0	111.4	V434 S437 L438 G690 L691 I692 N696 R697 L698	V434-T694 HydrophobicContact CG1-CG2 4.29Å; S437-T694 WeakPolarHBondContact OG-CG2 3.38Å; L438-T694 HydrophobicContact CD2-CG2 3.76Å; L438-T694 WeakPolarHBondContact CD2-OG1 3.3Å; L438-T694 HydrophobicContact CG-CG2 4.29Å; G690-T694 WeakPolarHBondContact O-CB 3.47Å; G690-T694 PolarHBondContact O-N 2.92Å; G690-T694 PolarHBondContact O-OG1 3.08Å; L691-T694 PolarHBondContact O-N 3.27Å; I692-T694 VanDerWaalsContact C-N 3.35Å; I692-T694 PolarHBondContact O-N 3.17Å; T694-N696 VanDerWaalsContact C-N 3.33Å; T694-N696 PolarHBondContact O-N 3.49Å; T694-R697 PolarHBondContact O-N 2.97Å; T694-L698 PolarHBondContact O-N 2.76Å
695	R	96.5	Very high	93.5	Very high	1 Å²	1	18.8 Å²	18.8	0%	0.004	10%	0.1	C	C	.	.	H	α-helix	trans	-58.3	-43	174.7	-177.7	-89.8	168.8	-151.6	-3.5	111.8	C422 L423 N424 Y427 L429 V434 G582 L583 L691 I692 Q693 L698 V699	C422-R695 VanDerWaalsContact SG-CZ 3.51Å; C422-R695 PolarHBondContact SG-NH1 2.89Å; L423-R695 PolarHBondContact O-NH1 3.49Å; N424-R695 PolarHBondContact O-NH2 2.93Å; Y427-R695 PolarHBondContact O-NH2 3.17Å; L429-R695 HydrophobicContact CD1-CG 3.8Å; V434-R695 HydrophobicContact CG1-CB 3.93Å; V434-R695 HydrophobicContact CG2-CB 4.07Å; V434-R695 HydrophobicContact CG2-CG 3.98Å; G582-R695 PolarHBondContact O-NE 3.31Å; G582-R695 PolarHBondContact O-NH2 3.12Å; L583-R695 HydrophobicContact CD2-CG 3.87Å; L691-R695 WeakPolarHBondContact O-CB 3.31Å; L691-R695 PolarHBondContact O-N 3.21Å; I692-R695 WeakPolarHBondContact O-CB 3.31Å; I692-R695 PolarHBondContact O-N 3.42Å; Q693-R695 VanDerWaalsContact C-N 3.33Å; Q693-R695 PolarHBondContact O-N 3.36Å; R695-L698 PolarHBondContact O-N 3.1Å; R695-V699 PolarHBondContact O-N 3.14Å
696	N	96.8	Very high	93.9	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.011	9%	0.093	C	C	.	.	H	α-helix	trans	-65.6	-42.2	177.6	-70	-17.2	0	0	0	112.4	I421 L423 I692 Q693 T694 L698 V699 S700	I421-N696 PolarHBondContact O-ND2 2.84Å; L423-N696 HydrophobicContact CB-CB 4.16Å; L423-N696 PolarHBondContact N-OD1 3.03Å; I692-N696 VanDerWaalsContact O-CG 3.3Å; I692-N696 PolarHBondContact O-N 3.17Å; Q693-N696 WeakPolarHBondContact O-CB 3.42Å; Q693-N696 PolarHBondContact O-N 3.28Å; Q693-N696 VanDerWaalsContact O-N 3.17Å; T694-N696 VanDerWaalsContact C-N 3.33Å; T694-N696 PolarHBondContact O-N 3.49Å; N696-L698 VanDerWaalsContact C-N 3.34Å; N696-L698 PolarHBondContact O-N 3.3Å; N696-V699 PolarHBondContact O-N 3.37Å; N696-S700 WeakPolarHBondContact O-CB 2.88Å; N696-S700 PolarHBondContact O-N 3.38Å
697	R	96	Very high	94	Very high	82 Å²	82	18.8 Å²	18.8	31%	0.309	9%	0.092	S	C	.	.	H	α-helix	trans	-61	-43.1	174.7	-68.7	-179.7	-173.8	113.4	2.3	111.4	D375 L441 Q693 T694 S700 G701	D375-R697 IonicContact OD1-NH2 3.56Å; D375-R697 PolarHBondContact OD1-NH2 3.02Å; D375-R697 IonicContact OD2-CZ 3.9Å; D375-R697 IonicContact OD2-NE 3.24Å; D375-R697 IonicContact OD2-NH2 2.64Å; D375-R697 PolarHBondContact OD2-NH2 2.85Å; L441-R697 HydrophobicContact CD2-CB 4.26Å; Q693-R697 WeakPolarHBondContact O-CG 3.18Å; Q693-R697 PolarHBondContact O-N 3.44Å; T694-R697 PolarHBondContact O-N 2.97Å; R697-S700 PolarHBondContact O-N 3.22Å; R697-G701 PolarHBondContact O-N 2.97Å
698	L	96.2	Very high	94	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.01	9%	0.089	C	C	.	.	H	α-helix	trans	-61.4	-50.2	177.4	177.3	57.4	0	0	0	112.4	L429 V434 L441 V444 V445 T694 R695 N696 S700 G701 I702	L429-L698 HydrophobicContact CD1-CB 4.1Å; L429-L698 HydrophobicContact CD1-CD2 3.7Å; L429-L698 HydrophobicContact CD1-CG 3.86Å; V434-L698 HydrophobicContact CG2-CD2 4.5Å; L441-L698 HydrophobicContact CD1-CB 3.95Å; L441-L698 HydrophobicContact CD1-CD1 4.04Å; V444-L698 HydrophobicContact CB-CD1 4.03Å; V444-L698 HydrophobicContact CG1-CD1 3.62Å; V444-L698 HydrophobicContact CG1-CD2 3.77Å; V444-L698 HydrophobicContact CG1-CG 4.38Å; V445-L698 HydrophobicContact CG2-CD1 3.77Å; T694-L698 PolarHBondContact O-N 2.76Å; R695-L698 PolarHBondContact O-N 3.1Å; N696-L698 VanDerWaalsContact C-N 3.34Å; N696-L698 PolarHBondContact O-N 3.3Å; L698-S700 VanDerWaalsContact C-N 3.29Å; L698-S700 PolarHBondContact O-N 3.11Å; L698-G701 PolarHBondContact O-N 2.78Å; L698-I702 HydrophobicContact CD1-CD1 4.28Å; L698-I702 HydrophobicContact CG-CD1 4.27Å; L698-I702 WeakPolarHBondContact O-CG1 3.46Å; L698-I702 PolarHBondContact O-N 2.64Å
699	V	96.5	Very high	93.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-60	-40.7	175.8	147.8	0	0	0	0	111.8	L423 N424 Y427 L429 R695 N696 G701 I702 I703	L423-V699 WeakPolarHBondContact O-CG1 3.38Å; N424-V699 HydrophobicContact CB-CG1 3.94Å; Y427-V699 HydrophobicContact CG-CG2 4.15Å; L429-V699 HydrophobicContact CD1-CB 4.4Å; L429-V699 HydrophobicContact CD1-CG2 3.53Å; L429-V699 HydrophobicContact CD2-CG2 3.95Å; L429-V699 HydrophobicContact CG-CG2 3.81Å; R695-V699 PolarHBondContact O-N 3.14Å; N696-V699 PolarHBondContact O-N 3.37Å; V699-G701 VanDerWaalsContact C-N 3.32Å; V699-G701 PolarHBondContact O-N 2.64Å; V699-I702 PolarHBondContact O-N 3.31Å; V699-I703 HydrophobicContact CG1-CD1 3.69Å; V699-I703 HydrophobicContact CG1-CG1 4.43Å; V699-I703 WeakPolarHBondContact O-CG1 3.04Å; V699-I703 PolarHBondContact O-N 3.24Å
700	S	95.9	Very high	93.2	Very high	4 Å²	4	19.6 Å²	19.6	3%	0.028	10%	0.099	C	C	.	.	H	α-helix	trans	-64	-39	179.2	-164.8	0	0	0	0	112.1	P377 R379 N696 R697 L698 I703 D704	P377-S700 WeakPolarHBondContact CB-OG 3.42Å; P377-S700 VanDerWaalsContact CG-CB 3.41Å; P377-S700 PolarHBondContact O-OG 3.22Å; R379-S700 PolarHBondContact NH2-OG 3.26Å; N696-S700 WeakPolarHBondContact O-CB 2.88Å; N696-S700 PolarHBondContact O-N 3.38Å; R697-S700 PolarHBondContact O-N 3.22Å; L698-S700 VanDerWaalsContact C-N 3.29Å; L698-S700 PolarHBondContact O-N 3.11Å; S700-I703 PolarHBondContact O-N 3.19Å; S700-D704 WeakPolarHBondContact O-CB 3.12Å; S700-D704 PolarHBondContact O-N 2.83Å
701	G	95.6	Very high	92	Very high	7 Å²	7	19 Å²	19	7%	0.072	9%	0.091	C	C	.	.	H	α-helix	trans	-63.3	-40.1	173.3	0	0	0	0	0	113.5	R697 L698 V699 D704 L705	R697-G701 PolarHBondContact O-N 2.97Å; L698-G701 PolarHBondContact O-N 2.78Å; V699-G701 VanDerWaalsContact C-N 3.32Å; V699-G701 PolarHBondContact O-N 2.64Å; G701-D704 PolarHBondContact O-N 3.07Å; G701-L705 PolarHBondContact O-N 3.21Å; G701-L705 VanDerWaalsContact O-N 3.09Å
702	I	95.2	Very high	90.5	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-63.8	-45.1	174.1	-66.2	165.2	0	0	0	110.7	Y427 L429 V445 Y448 F449 L698 V699 L705 L706	Y427-I702 HydrophobicContact CE1-CG2 4.45Å; L429-I702 HydrophobicContact CD2-CD1 3.98Å; V445-I702 HydrophobicContact CG1-CG1 4.42Å; V445-I702 HydrophobicContact CG2-CG1 4.32Å; Y448-I702 HydrophobicContact CD1-CG2 4.29Å; Y448-I702 HydrophobicContact CD2-CD1 3.67Å; Y448-I702 HydrophobicContact CD2-CG1 4.49Å; Y448-I702 HydrophobicContact CE1-CG2 4.29Å; Y448-I702 HydrophobicContact CE2-CD1 4.06Å; Y448-I702 HydrophobicContact CG-CD1 4.04Å; Y448-I702 HydrophobicContact CG-CG1 4.37Å; F449-I702 HydrophobicContact CE2-CG2 4.34Å; L698-I702 HydrophobicContact CD1-CD1 4.28Å; L698-I702 HydrophobicContact CG-CD1 4.27Å; L698-I702 WeakPolarHBondContact O-CG1 3.46Å; L698-I702 PolarHBondContact O-N 2.64Å; V699-I702 PolarHBondContact O-N 3.31Å; I702-L705 PolarHBondContact O-N 3.19Å; I702-L706 HydrophobicContact CG2-CD1 4.14Å; I702-L706 WeakPolarHBondContact O-CG 3.45Å; I702-L706 PolarHBondContact O-N 3.13Å
703	I	94.4	Very high	88.6	Confident	9 Å²	9	25.4 Å²	25.4	5%	0.046	13%	0.127	C	C	.	.	H	α-helix	trans	-65.9	-39.9	179.6	-69.1	170.9	0	0	0	111.2	N424 Y427 V699 S700 L706 R707	N424-I703 HydrophobicContact CB-CD1 4.07Å; N424-I703 WeakPolarHBondContact ND2-CD1 3.33Å; Y427-I703 HydrophobicContact CE2-CD1 3.95Å; Y427-I703 HydrophobicContact CE2-CG1 4.15Å; V699-I703 HydrophobicContact CG1-CD1 3.69Å; V699-I703 HydrophobicContact CG1-CG1 4.43Å; V699-I703 WeakPolarHBondContact O-CG1 3.04Å; V699-I703 PolarHBondContact O-N 3.24Å; S700-I703 PolarHBondContact O-N 3.19Å; I703-L706 PolarHBondContact O-N 3.5Å; I703-R707 HydrophobicContact CG2-CG 4.16Å; I703-R707 WeakPolarHBondContact O-CB 3.46Å; I703-R707 WeakPolarHBondContact O-CG 3.5Å; I703-R707 PolarHBondContact O-N 2.96Å
704	D	93.3	Very high	86.7	Confident	32 Å²	32	32 Å²	32	17%	0.171	16%	0.158	C	C	.	.	H	α-helix	trans	-61.2	-46.1	176.1	-92.6	-20.1	0	0	0	111.9	R379 S700 G701 L706 R707 S708 K724	R379-D704 IonicContact CZ-OD1 3.27Å; R379-D704 VanDerWaalsContact CZ-OD1 3.27Å; R379-D704 IonicContact NE-OD1 3.79Å; R379-D704 IonicContact NH1-OD1 2.78Å; R379-D704 IonicContact NH2-OD1 3.7Å; R379-D704 PolarHBondContact NH2-OD1 3.27Å; R379-D704 IonicContact NH2-OD2 2.78Å; R379-D704 PolarHBondContact NH2-OD2 2.94Å; S700-D704 WeakPolarHBondContact O-CB 3.12Å; S700-D704 PolarHBondContact O-N 2.83Å; G701-D704 PolarHBondContact O-N 3.07Å; D704-L706 VanDerWaalsContact C-N 3.35Å; D704-L706 PolarHBondContact O-N 3.4Å; D704-R707 PolarHBondContact O-N 3.17Å; D704-S708 WeakPolarHBondContact O-CB 3.47Å; D704-S708 PolarHBondContact O-N 3.1Å; D704-S708 PolarHBondContact O-OG 2.74Å; D704-K724 HydrophobicContact CB-CB 4.46Å; D704-K724 HydrophobicContact CB-CD 3.91Å; D704-K724 HydrophobicContact CB-CG 4.21Å; D704-K724 IonicContact OD1-NZ 2.79Å; D704-K724 PolarHBondContact OD1-NZ 2.81Å; D704-K724 WeakPolarHBondContact OD2-CE 3.48Å; D704-K724 IonicContact OD2-NZ 3.86Å; D704-K724 PolarHBondContact OD2-NZ 2.99Å
705	L	93.9	Very high	84.7	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-57.1	-50	174.7	172.6	62.1	0	0	0	110.9	V445 F449 W450 G701 I702 S708 A709 L723 K724 L725 L792	V445-L705 HydrophobicContact CG1-CB 4.35Å; V445-L705 HydrophobicContact CG1-CD2 3.99Å; F449-L705 HydrophobicContact CD2-CD2 3.62Å; F449-L705 HydrophobicContact CE2-CD2 3.71Å; W450-L705 HydrophobicContact CZ3-CD2 3.99Å; G701-L705 PolarHBondContact O-N 3.21Å; G701-L705 VanDerWaalsContact O-N 3.09Å; I702-L705 PolarHBondContact O-N 3.19Å; L705-S708 PolarHBondContact O-N 3.4Å; L705-S708 PolarHBondContact O-OG 2.73Å; L705-A709 PolarHBondContact O-N 3.05Å; L705-L723 HydrophobicContact CD1-CB 3.86Å; L705-L723 HydrophobicContact CD1-CD1 4.1Å; L705-L723 HydrophobicContact CD1-CD2 4.09Å; L705-L723 HydrophobicContact CD1-CG 4.24Å; L705-K724 VanDerWaalsContact CA-O 3.23Å; L705-K724 WeakPolarHBondContact CA-O 3.48Å; L705-K724 PolarHBondContact N-O 2.97Å; L705-L725 HydrophobicContact CB-CD2 4.49Å; L705-L725 HydrophobicContact CD1-CD2 3.85Å; L705-L725 HydrophobicContact CD1-CG 4.23Å; L705-L725 HydrophobicContact CD2-CD2 4.05Å; L705-L725 HydrophobicContact CG-CD2 4.35Å; L705-L792 HydrophobicContact CD1-CD1 4.19Å; L705-L792 HydrophobicContact CG-CD1 4.35Å
706	L	92.7	Very high	82.6	Confident	3 Å²	3	36.8 Å²	36.8	2%	0.016	18%	0.18	C	C	.	.	H	α-helix	trans	-62.7	-48.2	179.8	-75.9	177.3	0	0	0	112.5	F449 I702 I703 D704 S708 A709 D710 L792 Y795 L796	F449-L706 HydrophobicContact CE1-CD2 4.18Å; F449-L706 HydrophobicContact CE2-CD2 4.22Å; F449-L706 HydrophobicContact CE2-CG 4.35Å; F449-L706 HydrophobicContact CZ-CD1 4.18Å; F449-L706 HydrophobicContact CZ-CD2 3.52Å; F449-L706 HydrophobicContact CZ-CG 3.9Å; I702-L706 HydrophobicContact CG2-CD1 4.14Å; I702-L706 WeakPolarHBondContact O-CG 3.45Å; I702-L706 PolarHBondContact O-N 3.13Å; I703-L706 PolarHBondContact O-N 3.5Å; D704-L706 VanDerWaalsContact C-N 3.35Å; D704-L706 PolarHBondContact O-N 3.4Å; L706-S708 PolarHBondContact O-N 3.44Å; L706-A709 WeakPolarHBondContact O-CA 3.4Å; L706-A709 WeakPolarHBondContact O-CB 3.46Å; L706-A709 PolarHBondContact O-N 3.28Å; L706-D710 PolarHBondContact O-N 3.42Å; L706-D710 VanDerWaalsContact O-N 3.16Å; L706-L792 HydrophobicContact CD2-CD2 4.34Å; L706-Y795 HydrophobicContact CD1-CD1 4.28Å; L706-Y795 HydrophobicContact CD1-CE1 3.87Å; L706-Y795 HydrophobicContact CD2-CD1 3.61Å; L706-Y795 HydrophobicContact CD2-CE1 4.02Å; L706-L796 HydrophobicContact CB-CD2 4.04Å; L706-L796 HydrophobicContact CD1-CD2 4.27Å; L706-L796 HydrophobicContact CD2-CD2 4.2Å; L706-L796 HydrophobicContact CD2-CG 4.21Å; L706-L796 HydrophobicContact CG-CD2 4.42Å; L706-L796 WeakPolarHBondContact O-CD1 3.32Å
707	R	89.1	Confident	80.3	Confident	116 Å²	116	41.3 Å²	41.3	44%	0.438	21%	0.21	S	C	.	.	H	α-helix	trans	-61.7	-34.2	178.3	-73.2	-176.9	-171.3	-176.8	9.1	112.1	D382 I703 D704 A709 D710	D382-R707 IonicContact OD1-NH2 2.81Å; D382-R707 PolarHBondContact OD1-NH2 3.02Å; D382-R707 VanDerWaalsContact OD1-NH2 3.15Å; I703-R707 HydrophobicContact CG2-CG 4.16Å; I703-R707 WeakPolarHBondContact O-CB 3.46Å; I703-R707 WeakPolarHBondContact O-CG 3.5Å; I703-R707 PolarHBondContact O-N 2.96Å; D704-R707 PolarHBondContact O-N 3.17Å; R707-A709 PolarHBondContact O-N 3.48Å; R707-D710 PolarHBondContact O-N 2.96Å; R707-D710 VanDerWaalsContact O-N 3.13Å
708	S	88.2	Confident	78.1	Confident	19 Å²	19	42 Å²	42	13%	0.133	22%	0.223	C	C	.	.	H	α-helix	trans	-70.6	-19.7	175.5	71.3	0	0	0	0	113.9	D704 L705 L706 L723 K724	D704-S708 WeakPolarHBondContact O-CB 3.47Å; D704-S708 PolarHBondContact O-N 3.1Å; D704-S708 PolarHBondContact O-OG 2.74Å; L705-S708 PolarHBondContact O-N 3.4Å; L705-S708 PolarHBondContact O-OG 2.73Å; L706-S708 PolarHBondContact O-N 3.44Å; S708-L723 VanDerWaalsContact OG-CA 3.3Å; S708-L723 WeakPolarHBondContact OG-CA 3.47Å; S708-K724 VanDerWaalsContact CB-N 3.33Å; S708-K724 PolarHBondContact OG-N 2.73Å
709	A	86	Confident	75.8	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-86.2	-16.2	170.1	0	0	0	0	0	112.7	L705 L706 R707 T711 L723 L792 T793	L705-A709 PolarHBondContact O-N 3.05Å; L706-A709 WeakPolarHBondContact O-CA 3.4Å; L706-A709 WeakPolarHBondContact O-CB 3.46Å; L706-A709 PolarHBondContact O-N 3.28Å; R707-A709 PolarHBondContact O-N 3.48Å; A709-T711 PolarHBondContact O-N 3.07Å; A709-L723 HydrophobicContact CB-CD2 3.71Å; A709-L792 HydrophobicContact CB-CB 3.57Å; A709-L792 HydrophobicContact CB-CD1 4.02Å; A709-L792 HydrophobicContact CB-CG 4.47Å; A709-T793 PolarHBondContact O-OG1 3.24Å
710	D	80.1	Confident	73.5	Confident	69 Å²	69	53.8 Å²	53.8	37%	0.369	28%	0.282	S	S	.	.			trans	-87.3	74	180	-164.6	13.8	0	0	0	111.1	L706 R707 L796 K1195	L706-D710 PolarHBondContact O-N 3.42Å; L706-D710 VanDerWaalsContact O-N 3.16Å; R707-D710 PolarHBondContact O-N 2.96Å; R707-D710 VanDerWaalsContact O-N 3.13Å; D710-L796 HydrophobicContact CB-CD1 3.58Å; D710-K1195 IonicContact OD1-NZ 3.55Å; D710-K1195 PolarHBondContact OD1-NZ 3.34Å; D710-K1195 IonicContact OD2-NZ 3.78Å
711	T	65.5	Low	71.4	Confident	11 Å²	11	55.7 Å²	55.7	7%	0.067	30%	0.295	C	S	.	.			trans	-107.2	154.4	176.6	49.5	0	0	0	0	112.7	A709 P721	A709-T711 PolarHBondContact O-N 3.07Å; T711-P721 HydrophobicContact CG2-CG 3.44Å; T711-P721 VanDerWaalsContact CG2-CG 3.44Å
712	S	63.2	Low	70.4	Confident	61 Å²	61	60.5 Å²	60.5	43%	0.427	31%	0.314	S	S	.	.			trans	-63.8	154.6	175.8	58.1	0	0	0	0	111.1	E714 Q715 L716	S712-E714 PolarHBondContact O-N 3.3Å; S712-E714 VanDerWaalsContact O-N 3.16Å; S712-Q715 PolarHBondContact O-N 3.29Å; S712-L716 PolarHBondContact O-N 3.11Å
713	H	56.1	Low	69.9	Low	83 Å²	83	61.3 Å²	61.3	38%	0.384	32%	0.318	S	S	.	.	H	α-helix	trans	-49	-42.8	-178.6	175.9	-103.1	0	0	0	113.7	Q715 L716 L1198	H713-Q715 PolarHBondContact O-N 3.33Å; H713-L716 PolarHBondContact O-N 2.78Å; H713-L716 VanDerWaalsContact O-N 3.16Å; H713-L1198 WeakPolarHBondContact CD2-CB 3.43Å
714	E	53.8	Low	69.5	Low	156 Å²	156	66.3 Å²	66.3	73%	0.729	34%	0.339	S	S	*	.	H	α-helix	trans	-60.4	-30.4	179.9	-66.4	176.3	176.4	0	0	112.9	S712	S712-E714 PolarHBondContact O-N 3.3Å; S712-E714 VanDerWaalsContact O-N 3.16Å
715	Q	52.7	Low	69.4	Low	90 Å²	90	66 Å²	66	42%	0.421	34%	0.338	S	S	.	.	H	α-helix	trans	-91	-13.2	-179.7	-66.8	175.9	-9.6	0	0	113.5	S712 H713 C717	S712-Q715 PolarHBondContact O-N 3.29Å; H713-Q715 PolarHBondContact O-N 3.33Å; Q715-C717 PolarHBondContact O-N 2.88Å
716	L	53.1	Low	69.2	Low	26 Å²	26	67.1 Å²	67.1	14%	0.136	35%	0.345	C	S	.	.	H	α-helix	trans	-71	-24.3	172.4	-73.1	168.6	0	0	0	111.7	S712 H713 L790	S712-L716 PolarHBondContact O-N 3.11Å; H713-L716 PolarHBondContact O-N 2.78Å; H713-L716 VanDerWaalsContact O-N 3.16Å; L716-L790 HydrophobicContact CD2-CD2 4.23Å
717	C	49.4	Very low	68.8	Low	96 Å²	96	72.8 Å²	72.8	65%	0.649	38%	0.375	S	S	*	.	S	Bend	trans	-88.1	-18.1	177.5	-64.2	0	0	0	0	113.6	Q715	Q715-C717 PolarHBondContact O-N 2.88Å
718	V	49.5	Very low	68.3	Low	96 Å²	96	68.2 Å²	68.2	58%	0.582	36%	0.361	S	S	*	.	S	Bend	trans	-106.5	132.5	-176.9	-177.9	0	0	0	0	109.1	E720	V718-E720 PolarHBondContact O-N 3.19Å
719	N	47.4	Very low	68	Low	131 Å²	131	70 Å²	70	70%	0.701	37%	0.369	S	S	*	.	S	Bend	trans	-62.5	17.6	-168.2	-95.6	2	0	0	0	118
720	E	48.1	Very low	67.6	Low	119 Å²	119	72.8 Å²	72.8	56%	0.556	38%	0.383	S	S	*	.			trans	-153.2	131.1	170.3	-78.8	-142.5	161.5	0	0	110.9	V718 K722	V718-E720 PolarHBondContact O-N 3.19Å; E720-K722 VanDerWaalsContact OE1-CE 3.24Å; E720-K722 WeakPolarHBondContact OE1-CE 3.23Å; E720-K722 IonicContact OE1-NZ 2.86Å
721	P	52.4	Low	67.8	Low	45 Å²	45	72.9 Å²	72.9	29%	0.292	38%	0.381	S	S	.	.				-120.6	144.2	57	35.8	-27.5	0	0	0	114	T711 K789	T711-P721 HydrophobicContact CG2-CG 3.44Å; T711-P721 VanDerWaalsContact CG2-CG 3.44Å; P721-K789 WeakPolarHBondContact O-CE 3.25Å; P721-K789 PolarHBondContact O-NZ 2.93Å
722	K	73.3	Confident	68.6	Low	107 Å²	107	75.6 Å²	75.6	47%	0.465	40%	0.395	S	S	.	.			trans	-65.5	154.7	-179.9	-67.6	168.5	-177.4	155.1	0	112.5	E720 K724 E749	E720-K722 VanDerWaalsContact OE1-CE 3.24Å; E720-K722 WeakPolarHBondContact OE1-CE 3.23Å; E720-K722 IonicContact OE1-NZ 2.86Å; K722-K724 PolarHBondContact O-N 3.39Å; K722-E749 HydrophobicContact CD-CG 4.41Å; K722-E749 WeakPolarHBondContact CD-OE1 3.42Å; K722-E749 WeakPolarHBondContact CE-OE1 3.37Å; K722-E749 IonicContact NZ-OE1 3.69Å; K722-E749 PolarHBondContact NZ-OE1 3.01Å
723	L	85.6	Confident	69.5	Low	19 Å²	19	83.4 Å²	83.4	10%	0.099	42%	0.415	C	S	.	.			trans	-66.5	126.5	173.2	-70.6	177.2	0	0	0	110	L705 S708 A709 L725 F747 K789 L792	L705-L723 HydrophobicContact CD1-CB 3.86Å; L705-L723 HydrophobicContact CD1-CD1 4.1Å; L705-L723 HydrophobicContact CD1-CD2 4.09Å; L705-L723 HydrophobicContact CD1-CG 4.24Å; S708-L723 VanDerWaalsContact OG-CA 3.3Å; S708-L723 WeakPolarHBondContact OG-CA 3.47Å; A709-L723 HydrophobicContact CB-CD2 3.71Å; L723-L725 PolarHBondContact O-N 2.86Å; L723-F747 HydrophobicContact CD1-CD1 4.36Å; L723-F747 HydrophobicContact CD1-CE1 3.6Å; L723-F747 HydrophobicContact CD1-CZ 4.03Å; L723-K789 HydrophobicContact CD1-CG 4.37Å; L723-K789 HydrophobicContact CD2-CG 3.81Å; L723-K789 HydrophobicContact CG-CG 4.07Å; L723-L792 HydrophobicContact CD1-CD1 4Å; L723-L792 HydrophobicContact CD2-CD1 4.06Å
724	K	87	Confident	70.9	Confident	113 Å²	113	80.7 Å²	80.7	49%	0.491	40%	0.404	S	S	.	.			trans	-82.4	109.8	-179.3	-170.4	-179.9	178.7	-154.6	0	109.4	D704 L705 S708 K722	D704-K724 HydrophobicContact CB-CB 4.46Å; D704-K724 HydrophobicContact CB-CD 3.91Å; D704-K724 HydrophobicContact CB-CG 4.21Å; D704-K724 IonicContact OD1-NZ 2.79Å; D704-K724 PolarHBondContact OD1-NZ 2.81Å; D704-K724 WeakPolarHBondContact OD2-CE 3.48Å; D704-K724 IonicContact OD2-NZ 3.86Å; D704-K724 PolarHBondContact OD2-NZ 2.99Å; L705-K724 VanDerWaalsContact CA-O 3.23Å; L705-K724 WeakPolarHBondContact CA-O 3.48Å; L705-K724 PolarHBondContact N-O 2.97Å; S708-K724 VanDerWaalsContact CB-N 3.33Å; S708-K724 PolarHBondContact OG-N 2.73Å; K722-K724 PolarHBondContact O-N 3.39Å
725	L	90.1	Very high	72.4	Confident	26 Å²	26	74.3 Å²	74.3	14%	0.136	38%	0.377	C	S	.	.			trans	-116.2	155.6	176.8	-73.3	164.3	0	0	0	110.3	V445 L446 L705 L723 F747	V445-L725 HydrophobicContact CG1-CD2 4.02Å; L446-L725 HydrophobicContact CD2-CD1 3.92Å; L446-L725 HydrophobicContact CD2-CD2 3.72Å; L446-L725 HydrophobicContact CG-CD2 4.24Å; L705-L725 HydrophobicContact CB-CD2 4.49Å; L705-L725 HydrophobicContact CD1-CD2 3.85Å; L705-L725 HydrophobicContact CD1-CG 4.23Å; L705-L725 HydrophobicContact CD2-CD2 4.05Å; L705-L725 HydrophobicContact CG-CD2 4.35Å; L723-L725 PolarHBondContact O-N 2.86Å; L725-F747 HydrophobicContact CD1-CB 3.5Å; L725-F747 HydrophobicContact CD1-CD1 4.39Å; L725-F747 HydrophobicContact CD1-CD2 3.93Å; L725-F747 HydrophobicContact CD1-CG 3.7Å
726	P	90.4	Very high	74	Confident	23 Å²	23	75.7 Å²	75.7	15%	0.149	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-57.7	155.5	166.8	-19.4	30.6	0	0	0	111.6	L441 R442 V445	L441-P726 HydrophobicContact CB-CB 4.49Å; L441-P726 HydrophobicContact CD2-CB 4.18Å; L441-P726 HydrophobicContact CD2-CG 4.27Å; L441-P726 HydrophobicContact CG-CB 4.24Å; L441-P726 HydrophobicContact CG-CG 4.12Å; R442-P726 HydrophobicContact CB-CB 4.12Å; R442-P726 WeakPolarHBondContact CD-O 3.07Å; R442-P726 VanDerWaalsContact CG-O 3.32Å; R442-P726 WeakPolarHBondContact CG-O 3.33Å; R442-P726 PolarHBondContact NH1-O 3.2Å; V445-P726 HydrophobicContact CB-CG 4.28Å; V445-P726 HydrophobicContact CG2-CG 3.8Å
727	D	84.1	Confident	75.4	Confident	122 Å²	122	79.3 Å²	79.3	65%	0.652	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-61.7	149.5	176	-69.7	-44.7	0	0	0	112
728	C	78.2	Confident	77.1	Confident	20 Å²	20	75.9 Å²	75.9	14%	0.135	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-65.8	134.5	170.8	-68.7	0	0	0	0	109.4	R442 N730	R442-C728 WeakPolarHBondContact CD-SG 3.07Å; R442-C728 VanDerWaalsContact CZ-SG 3.54Å; R442-C728 PolarHBondContact NE-SG 3.05Å; C728-N730 WeakPolarHBondContact CB-OD1 3.21Å; C728-N730 PolarHBondContact O-N 3.15Å; C728-N730 PolarHBondContact O-ND2 2.9Å
729	I	82.4	Confident	78.7	Confident	58 Å²	58	73.7 Å²	73.7	30%	0.297	37%	0.372	S	S	.	.			trans	-63.6	-22.1	175.1	-164.8	170.1	0	0	0	112.6	N439 C440 Q731	N439-I729 WeakPolarHBondContact O-CD1 3.38Å; C440-I729 HydrophobicContact CB-CG2 4.18Å; I729-Q731 HydrophobicContact CD1-CG 4.33Å; I729-Q731 HydrophobicContact CG1-CG 3.98Å; I729-Q731 HydrophobicContact CG2-CB 4.33Å; I729-Q731 PolarHBondContact O-N 2.84Å; I729-Q731 VanDerWaalsContact O-N 3.12Å
730	N	77.8	Confident	80.7	Confident	57 Å²	57	67.5 Å²	67.5	31%	0.305	34%	0.339	S	S	.	.			trans	54.9	29.7	176.6	-64.8	-30.1	0	0	0	114.8	C728 Y755	C728-N730 WeakPolarHBondContact CB-OD1 3.21Å; C728-N730 PolarHBondContact O-N 3.15Å; C728-N730 PolarHBondContact O-ND2 2.9Å; N730-Y755 VanDerWaalsContact ND2-CE2 3.29Å; N730-Y755 WeakPolarHBondContact ND2-CE2 3.46Å
731	Q	83	Confident	82.7	Confident	72 Å²	72	63.6 Å²	63.6	34%	0.336	32%	0.321	S	S	.	.			trans	-99.2	118.3	174.7	-72.2	177.9	4.7	0	0	111	I729 R733 V734 C735	I729-Q731 HydrophobicContact CD1-CG 4.33Å; I729-Q731 HydrophobicContact CG1-CG 3.98Å; I729-Q731 HydrophobicContact CG2-CB 4.33Å; I729-Q731 PolarHBondContact O-N 2.84Å; I729-Q731 VanDerWaalsContact O-N 3.12Å; Q731-R733 VanDerWaalsContact C-N 3.34Å; Q731-R733 PolarHBondContact O-N 3.45Å; Q731-V734 HydrophobicContact CB-CB 4.4Å; Q731-V734 HydrophobicContact CB-CG2 4.32Å; Q731-V734 PolarHBondContact O-N 2.81Å; Q731-C735 WeakPolarHBondContact O-CB 3.5Å; Q731-C735 PolarHBondContact O-N 2.94Å; Q731-C735 PolarHBondContact O-SG 3.16Å; Q731-C735 VanDerWaalsContact O-SG 3.37Å
732	L	83.3	Confident	84.5	Confident	67 Å²	67	61.9 Å²	61.9	35%	0.351	31%	0.309	S	S	.	.	H	α-helix	trans	-53.7	-47.4	-177.2	-178.6	63.1	0	0	0	112.9	V734 C735 Q736 S764 V765 I768	L732-V734 VanDerWaalsContact C-N 3.27Å; L732-V734 PolarHBondContact O-N 2.9Å; L732-C735 PolarHBondContact O-N 3.35Å; L732-Q736 HydrophobicContact CD1-CB 4.33Å; L732-Q736 WeakPolarHBondContact O-CB 3.4Å; L732-Q736 PolarHBondContact O-N 2.95Å; L732-S764 WeakPolarHBondContact CD1-OG 3.03Å; L732-S764 WeakPolarHBondContact CD2-OG 3.39Å; L732-V765 HydrophobicContact CB-CG2 4.36Å; L732-I768 HydrophobicContact CD1-CD1 3.92Å
733	R	82.7	Confident	85.4	Confident	226 Å²	226	56.8 Å²	56.8	85%	0.853	29%	0.287	S	S	*	.	H	α-helix	trans	-58.4	-37.4	-177	-65.9	-177.6	-178.7	174.4	1.4	112.9	Q731 T737	Q731-R733 VanDerWaalsContact C-N 3.34Å; Q731-R733 PolarHBondContact O-N 3.45Å; R733-T737 PolarHBondContact O-OG1 3Å
734	V	84.3	Confident	85.7	Confident	26 Å²	26	56.8 Å²	56.8	16%	0.158	29%	0.288	C	S	.	.	H	α-helix	trans	-84.3	-45.2	179.8	-177.4	0	0	0	0	110.7	C440 Q731 L732 Q736 T737 C738	C440-V734 HydrophobicContact CB-CG1 4.42Å; Q731-V734 HydrophobicContact CB-CB 4.4Å; Q731-V734 HydrophobicContact CB-CG2 4.32Å; Q731-V734 PolarHBondContact O-N 2.81Å; L732-V734 VanDerWaalsContact C-N 3.27Å; L732-V734 PolarHBondContact O-N 2.9Å; V734-Q736 PolarHBondContact O-N 3.45Å; V734-T737 PolarHBondContact O-N 3.23Å; V734-T737 PolarHBondContact O-OG1 2.86Å; V734-C738 PolarHBondContact O-N 3.49Å
735	C	86.6	Confident	85.8	Confident	22 Å²	22	51.4 Å²	51.4	15%	0.149	27%	0.265	C	S	.	.	H	α-helix	trans	-67.5	-37.2	-177	-68.8	0	0	0	0	112.7	Q731 L732 T737 C738 Q741 V765	Q731-C735 WeakPolarHBondContact O-CB 3.5Å; Q731-C735 PolarHBondContact O-N 2.94Å; Q731-C735 PolarHBondContact O-SG 3.16Å; Q731-C735 VanDerWaalsContact O-SG 3.37Å; L732-C735 PolarHBondContact O-N 3.35Å; C735-T737 PolarHBondContact O-N 2.81Å; C735-C738 VanDerWaalsContact O-CB 3.29Å; C735-C738 WeakPolarHBondContact O-CB 3.43Å; C735-C738 PolarHBondContact O-N 2.89Å; C735-Q741 PolarHBondContact O-NE2 3.27Å; C735-V765 HydrophobicContact CB-CG1 4.01Å; C735-V765 HydrophobicContact CB-CG2 3.99Å
736	Q	84.6	Confident	85.9	Confident	118 Å²	118	50.2 Å²	50.2	55%	0.551	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-26.6	-178.8	-173.4	178.9	2.5	0	0	113.3	L732 V734 Q741 I768	L732-Q736 HydrophobicContact CD1-CB 4.33Å; L732-Q736 WeakPolarHBondContact O-CB 3.4Å; L732-Q736 PolarHBondContact O-N 2.95Å; V734-Q736 PolarHBondContact O-N 3.45Å; Q736-Q741 VanDerWaalsContact C-NE2 3.26Å; Q736-Q741 PolarHBondContact O-NE2 3.42Å; Q736-I768 HydrophobicContact CB-CD1 4.27Å
737	T	82.4	Confident	85.9	Confident	102 Å²	102	50.2 Å²	50.2	63%	0.626	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	1	179	55.7	0	0	0	0	113.2	R733 V734 C735	R733-T737 PolarHBondContact O-OG1 3Å; V734-T737 PolarHBondContact O-N 3.23Å; V734-T737 PolarHBondContact O-OG1 2.86Å; C735-T737 PolarHBondContact O-N 2.81Å
738	C	86.5	Confident	85.8	Confident	25 Å²	25	45 Å²	45	17%	0.169	23%	0.23	C	C	.	.			trans	-67.7	134.2	-179.6	-173	0	0	0	0	111.5	V734 C735 L740 Q741	V734-C738 PolarHBondContact O-N 3.49Å; C735-C738 VanDerWaalsContact O-CB 3.29Å; C735-C738 WeakPolarHBondContact O-CB 3.43Å; C735-C738 PolarHBondContact O-N 2.89Å; C738-L740 VanDerWaalsContact C-N 3.27Å; C738-L740 PolarHBondContact O-N 3.36Å; C738-Q741 HydrophobicContact CB-CG 4.25Å; C738-Q741 WeakPolarHBondContact O-CG 3.34Å
739	S	83.1	Confident	85.4	Confident	49 Å²	49	50.5 Å²	50.5	34%	0.343	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-2.6	177.3	53.3	0	0	0	0	114.6	D453	D453-S739 WeakPolarHBondContact CB-O 3.5Å; D453-S739 PolarHBondContact N-O 3.04Å; D453-S739 VanDerWaalsContact N-O 3.12Å
740	L	89.1	Confident	84.5	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	31.7	-177.6	-65.5	-177.4	0	0	0	112.2	R443 L446 E447 W450 D453 C738 C744	R443-L740 HydrophobicContact CG-CD1 4.35Å; L446-L740 HydrophobicContact CB-CD1 3.81Å; E447-L740 HydrophobicContact CB-CD1 4.38Å; E447-L740 HydrophobicContact CG-CD1 3.47Å; E447-L740 VanDerWaalsContact CG-CD1 3.47Å; E447-L740 HydrophobicContact CG-CG 4.43Å; W450-L740 HydrophobicContact CB-CD2 4.37Å; D453-L740 WeakPolarHBondContact OD2-CA 3.31Å; C738-L740 VanDerWaalsContact C-N 3.27Å; C738-L740 PolarHBondContact O-N 3.36Å; L740-C744 WeakPolarHBondContact O-CB 3.48Å; L740-C744 PolarHBondContact O-N 3.4Å
741	Q	89.4	Confident	83.5	Confident	38 Å²	38	50 Å²	50	18%	0.178	25%	0.253	C	S	.	.	H	α-helix	trans	-60.7	-45.7	179.9	-76.2	172.2	-1.2	0	0	112.8	D453 C735 Q736 C738 S745 I768 H772	D453-Q741 PolarHBondContact OD2-N 3.32Å; C735-Q741 PolarHBondContact O-NE2 3.27Å; Q736-Q741 VanDerWaalsContact C-NE2 3.26Å; Q736-Q741 PolarHBondContact O-NE2 3.42Å; C738-Q741 HydrophobicContact CB-CG 4.25Å; C738-Q741 WeakPolarHBondContact O-CG 3.34Å; Q741-S745 WeakPolarHBondContact O-CB 3.47Å; Q741-S745 PolarHBondContact O-N 3.36Å; Q741-S745 PolarHBondContact O-OG 3.01Å; Q741-I768 HydrophobicContact CB-CG2 4.39Å; Q741-I768 HydrophobicContact CG-CG2 4.04Å; Q741-H772 PolarHBondContact OE1-NE2 2.94Å
742	L	91.2	Very high	82.2	Confident	8 Å²	8	49.7 Å²	49.7	4%	0.042	26%	0.262	C	S	.	.	H	α-helix	trans	-68.7	-48.6	177.8	174.8	63.3	0	0	0	110.4	D453 C744 S745 L746 H772 V953 R957	D453-L742 HydrophobicContact CB-CB 4.27Å; D453-L742 WeakPolarHBondContact OD2-CA 3.15Å; D453-L742 WeakPolarHBondContact OD2-CB 3.5Å; D453-L742 PolarHBondContact OD2-N 3.14Å; L742-C744 VanDerWaalsContact C-N 3.25Å; L742-C744 PolarHBondContact O-N 3.21Å; L742-S745 WeakPolarHBondContact CA-OG 3.45Å; L742-S745 PolarHBondContact O-N 3.43Å; L742-S745 VanDerWaalsContact O-N 3.14Å; L742-S745 PolarHBondContact O-OG 3.49Å; L742-L746 HydrophobicContact CD1-CD1 4.29Å; L742-L746 HydrophobicContact CD1-CG 4.21Å; L742-L746 HydrophobicContact CG-CD1 4.16Å; L742-L746 VanDerWaalsContact O-CG 3.27Å; L742-L746 WeakPolarHBondContact O-CG 3.37Å; L742-L746 PolarHBondContact O-N 3.46Å; L742-H772 HydrophobicContact CD1-CB 4.22Å; L742-H772 VanDerWaalsContact CD1-O 3.23Å; L742-H772 WeakPolarHBondContact CD1-O 3.21Å; L742-V953 HydrophobicContact CD2-CG1 3.95Å; L742-V953 HydrophobicContact CG-CG1 4.31Å; L742-R957 HydrophobicContact CD2-CG 3.62Å
743	T	92	Very high	80.8	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-57	-43.4	176	-62.4	0	0	0	0	111.2	L446 W450 D453 L746 F747 V953	L446-T743 HydrophobicContact CD1-CG2 4.36Å; L446-T743 HydrophobicContact CD2-CG2 4.22Å; W450-T743 HydrophobicContact CB-CG2 3.94Å; W450-T743 HydrophobicContact CD2-CG2 3.97Å; W450-T743 HydrophobicContact CG-CG2 3.67Å; D453-T743 WeakPolarHBondContact OD1-CB 3.41Å; D453-T743 PolarHBondContact OD1-N 2.65Å; D453-T743 VanDerWaalsContact OD1-N 3.12Å; D453-T743 PolarHBondContact OD1-OG1 3.45Å; D453-T743 PolarHBondContact OD2-N 2.92Å; T743-L746 PolarHBondContact O-N 3.09Å; T743-F747 HydrophobicContact CG2-CD2 4.17Å; T743-F747 HydrophobicContact CG2-CE2 3.96Å; T743-F747 VanDerWaalsContact O-CD2 3.23Å; T743-F747 WeakPolarHBondContact O-CD2 3.35Å; T743-F747 PolarHBondContact O-N 2.98Å; T743-V953 WeakPolarHBondContact OG1-CG2 3.41Å
744	C	91.6	Very high	79.2	Confident	19 Å²	19	47.4 Å²	47.4	13%	0.128	27%	0.265	C	S	.	.	H	α-helix	trans	-67.3	-35.8	179	-169.2	0	0	0	0	112.5	R442 L446 L740 L742 F747 A748	R442-C744 PolarHBondContact NE-SG 3.21Å; L446-C744 HydrophobicContact CD1-CB 4.2Å; L740-C744 WeakPolarHBondContact O-CB 3.48Å; L740-C744 PolarHBondContact O-N 3.4Å; L742-C744 VanDerWaalsContact C-N 3.25Å; L742-C744 PolarHBondContact O-N 3.21Å; C744-F747 PolarHBondContact O-N 2.67Å; C744-A748 PolarHBondContact O-N 3.23Å; C744-A748 VanDerWaalsContact O-N 3.13Å
745	S	90	Very high	77.5	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-70.5	-35.5	177.5	73.2	0	0	0	0	112.9	Q741 L742 F747 A748 L769	Q741-S745 WeakPolarHBondContact O-CB 3.47Å; Q741-S745 PolarHBondContact O-N 3.36Å; Q741-S745 PolarHBondContact O-OG 3.01Å; L742-S745 WeakPolarHBondContact CA-OG 3.45Å; L742-S745 PolarHBondContact O-N 3.43Å; L742-S745 VanDerWaalsContact O-N 3.14Å; L742-S745 PolarHBondContact O-OG 3.49Å; S745-F747 PolarHBondContact O-N 2.72Å; S745-A748 WeakPolarHBondContact O-CB 3.08Å; S745-A748 PolarHBondContact O-N 2.67Å; S745-A748 VanDerWaalsContact O-N 3.1Å; S745-L769 WeakPolarHBondContact CB-O 3.47Å
746	L	91.4	Very high	75.5	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-62.3	-31.3	174.6	-68.9	169.4	0	0	0	112.4	L742 T743 L776 I781 F784 M956	L742-L746 HydrophobicContact CD1-CD1 4.29Å; L742-L746 HydrophobicContact CD1-CG 4.21Å; L742-L746 HydrophobicContact CG-CD1 4.16Å; L742-L746 VanDerWaalsContact O-CG 3.27Å; L742-L746 WeakPolarHBondContact O-CG 3.37Å; L742-L746 PolarHBondContact O-N 3.46Å; T743-L746 PolarHBondContact O-N 3.09Å; L746-L776 HydrophobicContact CD2-CD1 3.61Å; L746-I781 HydrophobicContact CD2-CG1 4.3Å; L746-F784 HydrophobicContact CB-CD1 3.92Å; L746-F784 HydrophobicContact CB-CE1 3.65Å; L746-F784 HydrophobicContact CB-CZ 4.35Å; L746-F784 HydrophobicContact CD1-CD1 4.07Å; L746-F784 HydrophobicContact CD1-CD2 4.14Å; L746-F784 HydrophobicContact CD1-CE1 3.81Å; L746-F784 HydrophobicContact CD1-CE2 3.92Å; L746-F784 HydrophobicContact CD1-CG 4.23Å; L746-F784 HydrophobicContact CD1-CZ 3.75Å; L746-F784 HydrophobicContact CG-CD1 4.41Å; L746-F784 HydrophobicContact CG-CE1 4.31Å; L746-M956 HydrophobicContact CD1-CB 3.88Å; L746-M956 HydrophobicContact CD1-CG 3.87Å; L746-M956 HydrophobicContact CD2-CB 4.08Å; L746-M956 HydrophobicContact CD2-CG 4.02Å
747	F	90.2	Very high	73.8	Confident	23 Å²	23	55.3 Å²	55.3	10%	0.101	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	5	174.7	-64	-58.5	0	0	0	114.3	R442 L446 W450 L723 L725 T743 C744 S745 F784 I785	R442-F747 PolarHBondContact NH2-O 2.86Å; L446-F747 HydrophobicContact CD2-CD2 3.84Å; L446-F747 HydrophobicContact CD2-CE2 4.02Å; W450-F747 HydrophobicContact CD2-CE2 4.37Å; W450-F747 AromaticContact CE2-CE2 3.89Å; W450-F747 HydrophobicContact CE3-CE2 4.47Å; W450-F747 AromaticContact CH2-CE2 3.74Å; W450-F747 HydrophobicContact CH2-CE2 3.74Å; W450-F747 AromaticContact CH2-CZ 3.67Å; W450-F747 HydrophobicContact CH2-CZ 3.67Å; W450-F747 AromaticContact CZ2-CE2 3.59Å; W450-F747 HydrophobicContact CZ2-CE2 3.59Å; W450-F747 AromaticContact CZ2-CZ 3.41Å; W450-F747 HydrophobicContact CZ2-CZ 3.41Å; W450-F747 VanDerWaalsContact CZ2-CZ 3.41Å; W450-F747 HydrophobicContact CZ3-CE2 4.18Å; L723-F747 HydrophobicContact CD1-CD1 4.36Å; L723-F747 HydrophobicContact CD1-CE1 3.6Å; L723-F747 HydrophobicContact CD1-CZ 4.03Å; L725-F747 HydrophobicContact CD1-CB 3.5Å; L725-F747 HydrophobicContact CD1-CD1 4.39Å; L725-F747 HydrophobicContact CD1-CD2 3.93Å; L725-F747 HydrophobicContact CD1-CG 3.7Å; T743-F747 HydrophobicContact CG2-CD2 4.17Å; T743-F747 HydrophobicContact CG2-CE2 3.96Å; T743-F747 VanDerWaalsContact O-CD2 3.23Å; T743-F747 WeakPolarHBondContact O-CD2 3.35Å; T743-F747 PolarHBondContact O-N 2.98Å; C744-F747 PolarHBondContact O-N 2.67Å; S745-F747 PolarHBondContact O-N 2.72Å; F747-F784 HydrophobicContact CD1-CE1 4.41Å; F747-F784 HydrophobicContact CE1-CD1 4.41Å; F747-F784 AromaticContact CE1-CE1 3.7Å; F747-F784 HydrophobicContact CE1-CE1 3.7Å; F747-F784 AromaticContact CE2-CE1 3.85Å; F747-F784 HydrophobicContact CE2-CE1 3.85Å; F747-F784 HydrophobicContact CE2-CZ 4.07Å; F747-F784 HydrophobicContact CZ-CD1 4.44Å; F747-F784 AromaticContact CZ-CE1 3.39Å; F747-F784 HydrophobicContact CZ-CE1 3.39Å; F747-F784 AromaticContact CZ-CZ 3.83Å; F747-F784 HydrophobicContact CZ-CZ 3.83Å; F747-I785 HydrophobicContact CE1-CG1 4.33Å
748	A	82.8	Confident	72	Confident	12 Å²	12	53.2 Å²	53.2	10%	0.099	32%	0.319	C	S	.	.	S	Bend	trans	-76.5	127.9	176.6	0	0	0	0	0	110	C744 S745 N750 L769 R773	C744-A748 PolarHBondContact O-N 3.23Å; C744-A748 VanDerWaalsContact O-N 3.13Å; S745-A748 WeakPolarHBondContact O-CB 3.08Å; S745-A748 PolarHBondContact O-N 2.67Å; S745-A748 VanDerWaalsContact O-N 3.1Å; A748-N750 PolarHBondContact O-N 2.99Å; A748-L769 HydrophobicContact CB-CD1 4.26Å; A748-R773 PolarHBondContact O-NH1 3.15Å; A748-R773 VanDerWaalsContact O-NH1 3.11Å
749	E	68.5	Low	70	Confident	136 Å²	136	63 Å²	63	64%	0.636	35%	0.353	S	S	*	.	S	Bend	trans	-69.7	120.7	172.4	-64.4	-156.7	128.8	0	0	109.4	K722	K722-E749 HydrophobicContact CD-CG 4.41Å; K722-E749 WeakPolarHBondContact CD-OE1 3.42Å; K722-E749 WeakPolarHBondContact CE-OE1 3.37Å; K722-E749 IonicContact NZ-OE1 3.69Å; K722-E749 PolarHBondContact NZ-OE1 3.01Å
750	N	64.1	Low	68.3	Low	92 Å²	92	67.3 Å²	67.3	49%	0.492	37%	0.373	S	S	.	.			trans	34.1	77	173.5	-151.4	-6	0	0	0	113	A748 A752 K753	A748-N750 PolarHBondContact O-N 2.99Å; N750-A752 PolarHBondContact O-N 2.9Å; N750-K753 PolarHBondContact O-N 2.9Å
751	P	57.6	Low	66.3	Low	13 Å²	13	72.4 Å²	72.4	8%	0.084	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	23.4	-173.2	31	-36.1	0	0	0	113.1	H766 L769 I770 R773	P751-H766 VanDerWaalsContact CA-CE1 3.47Å; P751-H766 WeakPolarHBondContact CA-CE1 3.46Å; P751-H766 PolarHBondContact O-CD2 3.01Å; P751-H766 PolarHBondContact O-CE1 3.3Å; P751-H766 PolarHBondContact O-ND1 2.9Å; P751-H766 PolarHBondContact O-NE2 3.48Å; P751-L769 HydrophobicContact CB-CB 4.29Å; P751-I770 HydrophobicContact CB-CG1 4.15Å; P751-I770 WeakPolarHBondContact O-CD1 3.36Å; P751-I770 WeakPolarHBondContact O-CG1 3.46Å; P751-R773 VanDerWaalsContact CD-NH1 3.32Å
752	A	55.2	Low	64.4	Low	64 Å²	64	76.6 Å²	76.6	53%	0.529	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-11.7	166.2	0	0	0	0	0	113.1	N750 P754 H766	N750-A752 PolarHBondContact O-N 2.9Å; A752-P754 VanDerWaalsContact O-CD 3.27Å; A752-P754 WeakPolarHBondContact O-CD 3.11Å; A752-H766 VanDerWaalsContact C-NE2 3.26Å; A752-H766 VanDerWaalsContact CA-NE2 3.28Å; A752-H766 WeakPolarHBondContact CA-NE2 3.42Å; A752-H766 PolarHBondContact N-NE2 2.98Å
753	K	53.1	Low	63.2	Low	152 Å²	152	79 Å²	79	66%	0.661	44%	0.444	S	S	*	.	S	Bend	trans	-88.8	112.9	176.6	-76.9	-172.5	178.2	-177.5	0	110.1	N750 H766	N750-K753 PolarHBondContact O-N 2.9Å; K753-H766 PolarHBondContact O-CE1 3.08Å
754	P	48.8	Very low	62.4	Low	93 Å²	93	81.6 Å²	81.6	60%	0.604	46%	0.462	S	S	*	.			trans	-65.8	144.3	167.4	25.3	-30.9	0	0	0	110.3	A752 S756	A752-P754 VanDerWaalsContact O-CD 3.27Å; A752-P754 WeakPolarHBondContact O-CD 3.11Å; P754-S756 PolarHBondContact O-N 2.83Å
755	Y	48.9	Very low	61.8	Low	135 Å²	135	80.9 Å²	80.9	53%	0.529	46%	0.457	S	S	.	.			trans	-54	132.6	169.2	-82.2	-93.7	0	0	0	108.9	N730 G757 A758	N730-Y755 VanDerWaalsContact ND2-CE2 3.29Å; N730-Y755 WeakPolarHBondContact ND2-CE2 3.46Å; Y755-G757 PolarHBondContact O-N 3.46Å; Y755-A758 PolarHBondContact O-N 3.18Å
756	S	45.7	Very low	61.3	Low	131 Å²	131	82 Å²	82	92%	0.916	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	96.3	177.1	53.7	0	0	0	0	109.9	P754	P754-S756 PolarHBondContact O-N 2.83Å
757	G	48.2	Very low	60.8	Low	66 Å²	66	87.2 Å²	87.2	68%	0.68	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	144.2	-16.6	-179.3	0	0	0	0	0	116.1	Y755 Y759	Y755-G757 PolarHBondContact O-N 3.46Å; G757-Y759 PolarHBondContact O-N 3.32Å
758	A	45.5	Very low	60.5	Low	59 Å²	59	87.4 Å²	87.4	49%	0.488	49%	0.487	S	S	.	.			trans	-94.2	95.2	175.8	0	0	0	0	0	110.7	Y755 D760	Y755-A758 PolarHBondContact O-N 3.18Å; A758-D760 PolarHBondContact O-N 2.81Å
759	Y	44.5	Very low	60.6	Low	229 Å²	229	87.6 Å²	87.6	90%	0.898	49%	0.486	S	S	*	.			trans	-77.9	-2.2	172.4	-80	-83	0	0	0	113.6	G757	G757-Y759 PolarHBondContact O-N 3.32Å
760	D	46.2	Very low	61.4	Low	140 Å²	140	83.6 Å²	83.6	75%	0.749	47%	0.468	S	S	*	.	S	Bend	trans	-83.1	125.7	173.4	-78	-26.4	0	0	0	110.8	A758 F762	A758-D760 PolarHBondContact O-N 2.81Å; D760-F762 PolarHBondContact O-N 3.5Å
761	S	47.4	Very low	62.5	Low	109 Å²	109	83.6 Å²	83.6	76%	0.762	47%	0.469	S	S	*	.	S	Bend	trans	-22.6	116.9	168.6	54.8	0	0	0	0	112.6	S763	S761-S763 PolarHBondContact O-N 3.43Å
762	F	50.5	Low	63.9	Low	126 Å²	126	85 Å²	85	55%	0.553	47%	0.474	S	S	*	.	S	Bend	trans	18.1	94.9	172.2	-79	-93.2	0	0	0	113.5	D760 S764 H766 K767 I770	D760-F762 PolarHBondContact O-N 3.5Å; F762-S764 PolarHBondContact O-N 3.46Å; F762-S764 VanDerWaalsContact O-N 3.07Å; F762-H766 AromaticContact CD1-CD2 3.82Å; F762-K767 HydrophobicContact CB-CG 4.28Å; F762-I770 HydrophobicContact CD1-CD1 4.4Å; F762-I770 HydrophobicContact CE1-CD1 4.18Å
763	S	65.1	Low	65.4	Low	59 Å²	59	83.6 Å²	83.6	41%	0.413	46%	0.455	S	S	.	.			trans	-44.9	128.7	174.6	84	0	0	0	0	108.3	S761 V765 H766 K767	S761-S763 PolarHBondContact O-N 3.43Å; S763-V765 PolarHBondContact O-N 3.38Å; S763-H766 WeakPolarHBondContact O-CA 3.34Å; S763-H766 VanDerWaalsContact O-CB 3.28Å; S763-H766 WeakPolarHBondContact O-CB 3.42Å; S763-H766 PolarHBondContact O-N 3.04Å; S763-H766 PolarHBondContact OG-N 3.44Å; S763-K767 PolarHBondContact O-N 3.43Å
764	S	74.6	Confident	67.2	Low	53 Å²	53	80.8 Å²	80.8	37%	0.371	45%	0.454	S	S	.	.	H	α-helix	trans	-53.6	-23.8	-174.8	41.1	0	0	0	0	112.6	L732 F762 I768	L732-S764 WeakPolarHBondContact CD1-OG 3.03Å; L732-S764 WeakPolarHBondContact CD2-OG 3.39Å; F762-S764 PolarHBondContact O-N 3.46Å; F762-S764 VanDerWaalsContact O-N 3.07Å; S764-I768 WeakPolarHBondContact O-CG1 3.22Å; S764-I768 PolarHBondContact O-N 3.25Å
765	V	79.6	Confident	69.2	Low	5 Å²	5	79 Å²	79	3%	0.03	44%	0.438	C	S	.	.	H	α-helix	trans	-66.1	-40.7	170.4	-178.7	0	0	0	0	112.9	L732 C735 S763 K767 I768 L769	L732-V765 HydrophobicContact CB-CG2 4.36Å; C735-V765 HydrophobicContact CB-CG1 4.01Å; C735-V765 HydrophobicContact CB-CG2 3.99Å; S763-V765 PolarHBondContact O-N 3.38Å; V765-K767 VanDerWaalsContact C-N 3.29Å; V765-K767 PolarHBondContact O-N 3.02Å; V765-I768 WeakPolarHBondContact O-CB 3.36Å; V765-I768 PolarHBondContact O-N 2.95Å; V765-I768 VanDerWaalsContact O-N 3.13Å; V765-L769 HydrophobicContact CG1-CD1 4.5Å; V765-L769 WeakPolarHBondContact O-CG 3.42Å; V765-L769 PolarHBondContact O-N 3.22Å
766	H	79.3	Confident	71.4	Confident	22 Å²	22	73.3 Å²	73.3	10%	0.102	42%	0.416	C	S	.	.	H	α-helix	trans	-62	-39.3	177.1	-156.4	67	0	0	0	111.3	P751 A752 K753 F762 S763 I768 L769 I770	P751-H766 VanDerWaalsContact CA-CE1 3.47Å; P751-H766 WeakPolarHBondContact CA-CE1 3.46Å; P751-H766 PolarHBondContact O-CD2 3.01Å; P751-H766 PolarHBondContact O-CE1 3.3Å; P751-H766 PolarHBondContact O-ND1 2.9Å; P751-H766 PolarHBondContact O-NE2 3.48Å; A752-H766 VanDerWaalsContact C-NE2 3.26Å; A752-H766 VanDerWaalsContact CA-NE2 3.28Å; A752-H766 WeakPolarHBondContact CA-NE2 3.42Å; A752-H766 PolarHBondContact N-NE2 2.98Å; K753-H766 PolarHBondContact O-CE1 3.08Å; F762-H766 AromaticContact CD1-CD2 3.82Å; S763-H766 WeakPolarHBondContact O-CA 3.34Å; S763-H766 VanDerWaalsContact O-CB 3.28Å; S763-H766 WeakPolarHBondContact O-CB 3.42Å; S763-H766 PolarHBondContact O-N 3.04Å; S763-H766 PolarHBondContact OG-N 3.44Å; H766-I768 VanDerWaalsContact C-N 3.32Å; H766-I768 PolarHBondContact O-N 2.68Å; H766-L769 PolarHBondContact O-N 3.44Å; H766-L769 VanDerWaalsContact O-N 3.16Å; H766-I770 VanDerWaalsContact O-CG1 3.29Å; H766-I770 WeakPolarHBondContact O-CG1 3.48Å; H766-I770 PolarHBondContact O-N 3.13Å
767	K	82	Confident	73.6	Confident	112 Å²	112	72.7 Å²	72.7	49%	0.487	40%	0.399	S	S	.	.	H	α-helix	trans	-58.4	-43.8	172.5	-63.7	-177.5	-179.6	179.5	0	111.6	F762 S763 V765 L769 I770 N771	F762-K767 HydrophobicContact CB-CG 4.28Å; S763-K767 PolarHBondContact O-N 3.43Å; V765-K767 VanDerWaalsContact C-N 3.29Å; V765-K767 PolarHBondContact O-N 3.02Å; K767-L769 VanDerWaalsContact C-N 3.34Å; K767-L769 PolarHBondContact O-N 2.78Å; K767-I770 PolarHBondContact O-N 2.83Å; K767-N771 WeakPolarHBondContact O-CB 3.26Å; K767-N771 PolarHBondContact O-N 3.42Å; K767-N771 PolarHBondContact O-OD1 3.01Å; K767-N771 VanDerWaalsContact O-OD1 3.13Å
768	I	82.9	Confident	75.6	Confident	28 Å²	28	73.6 Å²	73.6	14%	0.144	39%	0.386	C	S	.	.	H	α-helix	trans	-58.8	-46.2	175.1	-63	168.2	0	0	0	110.6	L732 Q736 Q741 S764 V765 H766 N771 H772	L732-I768 HydrophobicContact CD1-CD1 3.92Å; Q736-I768 HydrophobicContact CB-CD1 4.27Å; Q741-I768 HydrophobicContact CB-CG2 4.39Å; Q741-I768 HydrophobicContact CG-CG2 4.04Å; S764-I768 WeakPolarHBondContact O-CG1 3.22Å; S764-I768 PolarHBondContact O-N 3.25Å; V765-I768 WeakPolarHBondContact O-CB 3.36Å; V765-I768 PolarHBondContact O-N 2.95Å; V765-I768 VanDerWaalsContact O-N 3.13Å; H766-I768 VanDerWaalsContact C-N 3.32Å; H766-I768 PolarHBondContact O-N 2.68Å; I768-N771 PolarHBondContact O-N 3.4Å; I768-H772 PolarHBondContact O-CD2 3.33Å; I768-H772 VanDerWaalsContact O-CD2 3.24Å; I768-H772 PolarHBondContact O-N 3Å
769	L	84.7	Confident	77.8	Confident	15 Å²	15	76.2 Å²	76.2	8%	0.079	39%	0.388	C	S	.	.	H	α-helix	trans	-66.2	-39.8	-179.8	-62.3	174.7	0	0	0	112.7	S745 A748 P751 V765 H766 K767	S745-L769 WeakPolarHBondContact CB-O 3.47Å; A748-L769 HydrophobicContact CB-CD1 4.26Å; P751-L769 HydrophobicContact CB-CB 4.29Å; V765-L769 HydrophobicContact CG1-CD1 4.5Å; V765-L769 WeakPolarHBondContact O-CG 3.42Å; V765-L769 PolarHBondContact O-N 3.22Å; H766-L769 PolarHBondContact O-N 3.44Å; H766-L769 VanDerWaalsContact O-N 3.16Å; K767-L769 VanDerWaalsContact C-N 3.34Å; K767-L769 PolarHBondContact O-N 2.78Å
770	I	85.6	Confident	80.2	Confident	52 Å²	52	65.7 Å²	65.7	27%	0.267	35%	0.347	S	S	.	.	H	α-helix	trans	-64.9	-48.9	176.4	-66.8	166.6	0	0	0	110.2	P751 F762 H766 K767 H772 R773 S774	P751-I770 HydrophobicContact CB-CG1 4.15Å; P751-I770 WeakPolarHBondContact O-CD1 3.36Å; P751-I770 WeakPolarHBondContact O-CG1 3.46Å; F762-I770 HydrophobicContact CD1-CD1 4.4Å; F762-I770 HydrophobicContact CE1-CD1 4.18Å; H766-I770 VanDerWaalsContact O-CG1 3.29Å; H766-I770 WeakPolarHBondContact O-CG1 3.48Å; H766-I770 PolarHBondContact O-N 3.13Å; K767-I770 PolarHBondContact O-N 2.83Å; I770-H772 VanDerWaalsContact C-N 3.31Å; I770-H772 PolarHBondContact O-N 3.49Å; I770-R773 CarbonylContact O-C 3.25Å; I770-R773 PolarHBondContact O-N 3.27Å; I770-S774 PolarHBondContact O-N 3.42Å
771	N	87.4	Confident	82.4	Confident	93 Å²	93	59.1 Å²	59.1	50%	0.497	31%	0.312	S	S	.	.	H	α-helix	trans	-58.4	-43.3	-176.2	-69.6	0.2	0	0	0	111.7	K767 I768 R773 S774	K767-N771 WeakPolarHBondContact O-CB 3.26Å; K767-N771 PolarHBondContact O-N 3.42Å; K767-N771 PolarHBondContact O-OD1 3.01Å; K767-N771 VanDerWaalsContact O-OD1 3.13Å; I768-N771 PolarHBondContact O-N 3.4Å; N771-R773 PolarHBondContact O-N 3.19Å; N771-S774 PolarHBondContact O-OG 3.35Å; N771-S774 VanDerWaalsContact O-OG 3.07Å
772	H	86.9	Confident	84.5	Confident	41 Å²	41	56.3 Å²	56.3	19%	0.19	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-9.3	177.2	-79.9	-71.3	0	0	0	114.3	Q741 L742 I768 I770 H775	Q741-H772 PolarHBondContact OE1-NE2 2.94Å; L742-H772 HydrophobicContact CD1-CB 4.22Å; L742-H772 VanDerWaalsContact CD1-O 3.23Å; L742-H772 WeakPolarHBondContact CD1-O 3.21Å; I768-H772 PolarHBondContact O-CD2 3.33Å; I768-H772 VanDerWaalsContact O-CD2 3.24Å; I768-H772 PolarHBondContact O-N 3Å; I770-H772 VanDerWaalsContact C-N 3.31Å; I770-H772 PolarHBondContact O-N 3.49Å; H772-H775 PolarHBondContact O-CE1 3.02Å; H772-H775 VanDerWaalsContact O-CE1 3.25Å
773	R	86.9	Confident	86.6	Confident	36 Å²	36	51.6 Å²	51.6	14%	0.136	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-16.7	-178.2	-173.6	179.6	167.1	162.1	-1.3	113.2	A748 P751 I770 N771 H775 L776 I781	A748-R773 PolarHBondContact O-NH1 3.15Å; A748-R773 VanDerWaalsContact O-NH1 3.11Å; P751-R773 VanDerWaalsContact CD-NH1 3.32Å; I770-R773 CarbonylContact O-C 3.25Å; I770-R773 PolarHBondContact O-N 3.27Å; N771-R773 PolarHBondContact O-N 3.19Å; R773-H775 PolarHBondContact O-N 3.05Å; R773-L776 WeakPolarHBondContact O-CB 3.31Å; R773-L776 PolarHBondContact O-N 3.28Å; R773-I781 HydrophobicContact CG-CD1 3.94Å
774	S	89.7	Confident	88	Confident	93 Å²	93	48.8 Å²	48.8	65%	0.65	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-22	-167.9	48.1	0	0	0	0	115	I770 N771	I770-S774 PolarHBondContact O-N 3.42Å; N771-S774 PolarHBondContact O-OG 3.35Å; N771-S774 VanDerWaalsContact O-OG 3.07Å
775	H	92	Very high	88.9	Confident	54 Å²	54	47.9 Å²	47.9	25%	0.25	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	1.4	176.7	63.7	-77.7	0	0	0	114.3	H772 R773 M956 S958	H772-H775 PolarHBondContact O-CE1 3.02Å; H772-H775 VanDerWaalsContact O-CE1 3.25Å; R773-H775 PolarHBondContact O-N 3.05Å; H775-M956 PolarHBondContact NE2-O 3.18Å; H775-S958 PolarHBondContact NE2-N 3.42Å
776	L	94.2	Very high	89.5	Confident	16 Å²	16	51.9 Å²	51.9	8%	0.084	26%	0.256	C	S	.	.			trans	-107.6	138	-176	-61.4	175.4	0	0	0	111.9	L746 R773 H780 I781 M956	L746-L776 HydrophobicContact CD2-CD1 3.61Å; R773-L776 WeakPolarHBondContact O-CB 3.31Å; R773-L776 PolarHBondContact O-N 3.28Å; L776-H780 HydrophobicContact CD2-CB 4.41Å; L776-I781 HydrophobicContact CB-CD1 4.31Å; L776-I781 HydrophobicContact CB-CG1 4.32Å; L776-I781 HydrophobicContact CD1-CG1 4.48Å; L776-M956 HydrophobicContact CD1-CB 4.05Å; L776-M956 HydrophobicContact CD1-SD 4.28Å; L776-M956 HydrophobicContact CD2-SD 4.2Å
777	Q	92.7	Very high	90.2	Very high	118 Å²	118	51 Å²	51	55%	0.551	25%	0.251	S	S	*	.			trans	-80.9	162.3	170	-55.4	-57.7	-23.1	0	0	111	E779 H780 I781	Q777-E779 VanDerWaalsContact C-N 3.26Å; Q777-E779 WeakPolarHBondContact CB-OE2 3.36Å; Q777-E779 PolarHBondContact O-N 2.94Å; Q777-H780 PolarHBondContact N-ND1 3.42Å; Q777-H780 WeakPolarHBondContact O-CB 3.17Å; Q777-H780 PolarHBondContact O-N 2.79Å; Q777-H780 VanDerWaalsContact O-N 3.17Å; Q777-I781 PolarHBondContact O-N 3.19Å
778	Q	90.3	Very high	90.8	Very high	85 Å²	85	45.7 Å²	45.7	40%	0.397	23%	0.228	S	C	.	.	H	α-helix	trans	-65	-34.6	-179.5	-173.9	56.4	39.7	0	0	111.5	H780 I781 D782	Q778-H780 VanDerWaalsContact C-N 3.28Å; Q778-H780 PolarHBondContact O-N 3.28Å; Q778-I781 PolarHBondContact O-N 3.33Å; Q778-I781 VanDerWaalsContact O-N 3.13Å; Q778-D782 PolarHBondContact NE2-OD1 3.29Å; Q778-D782 VanDerWaalsContact O-CG 3.29Å; Q778-D782 PolarHBondContact O-N 2.77Å
779	E	91.8	Very high	91.3	Very high	115 Å²	115	45.3 Å²	45.3	54%	0.537	23%	0.226	S	C	.	.	H	α-helix	trans	-62	-35.8	175.8	-61.4	73.6	-162.7	0	0	111.6	Q777 I781 F783	Q777-E779 VanDerWaalsContact C-N 3.26Å; Q777-E779 WeakPolarHBondContact CB-OE2 3.36Å; Q777-E779 PolarHBondContact O-N 2.94Å; E779-I781 VanDerWaalsContact C-N 3.32Å; E779-I781 PolarHBondContact O-N 3.45Å; E779-F783 WeakPolarHBondContact O-CB 3.34Å; E779-F783 PolarHBondContact O-N 3.28Å
780	H	95	Very high	91.7	Very high	7 Å²	7	44.8 Å²	44.8	3%	0.032	22%	0.223	C	C	.	.	H	α-helix	trans	-65.5	-38.9	176.2	-58.8	166.5	0	0	0	111.1	L776 Q777 Q778 F784 M956 I970 D971	L776-H780 HydrophobicContact CD2-CB 4.41Å; Q777-H780 PolarHBondContact N-ND1 3.42Å; Q777-H780 WeakPolarHBondContact O-CB 3.17Å; Q777-H780 PolarHBondContact O-N 2.79Å; Q777-H780 VanDerWaalsContact O-N 3.17Å; Q778-H780 VanDerWaalsContact C-N 3.28Å; Q778-H780 PolarHBondContact O-N 3.28Å; H780-F784 PolarHBondContact O-N 2.63Å; H780-M956 HydrophobicContact CB-SD 4.2Å; H780-M956 WeakPolarHBondContact O-CE 3.24Å; H780-I970 HydrophobicContact CB-CD1 4.36Å; H780-D971 IonicContact CD2-OD1 3.87Å; H780-D971 PolarHBondContact CD2-OD1 3.26Å; H780-D971 IonicContact CE1-OD2 3.15Å; H780-D971 IonicContact NE2-OD1 3.26Å; H780-D971 PolarHBondContact NE2-OD1 2.88Å; H780-D971 IonicContact NE2-OD2 3.18Å; H780-D971 PolarHBondContact NE2-OD2 3.36Å; H780-D971 VanDerWaalsContact NE2-OD2 3.11Å
781	I	92.5	Very high	92.1	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.015	21%	0.21	C	C	.	.	H	α-helix	trans	-74.6	-43	180	-63	155.4	0	0	0	110.6	L746 R773 L776 Q777 Q778 E779 F783 F784 I785	L746-I781 HydrophobicContact CD2-CG1 4.3Å; R773-I781 HydrophobicContact CG-CD1 3.94Å; L776-I781 HydrophobicContact CB-CD1 4.31Å; L776-I781 HydrophobicContact CB-CG1 4.32Å; L776-I781 HydrophobicContact CD1-CG1 4.48Å; Q777-I781 PolarHBondContact O-N 3.19Å; Q778-I781 PolarHBondContact O-N 3.33Å; Q778-I781 VanDerWaalsContact O-N 3.13Å; E779-I781 VanDerWaalsContact C-N 3.32Å; E779-I781 PolarHBondContact O-N 3.45Å; I781-F783 VanDerWaalsContact C-N 3.28Å; I781-F783 PolarHBondContact O-N 3.09Å; I781-F784 WeakPolarHBondContact O-CB 3.37Å; I781-F784 PolarHBondContact O-N 2.82Å; I781-F784 VanDerWaalsContact O-N 3.16Å; I781-I785 HydrophobicContact CG2-CD1 3.87Å; I781-I785 HydrophobicContact CG2-CG1 4.44Å; I781-I785 WeakPolarHBondContact O-CG1 3.13Å; I781-I785 PolarHBondContact O-N 3.29Å
782	D	91.7	Very high	92.4	Very high	50 Å²	50	37.9 Å²	37.9	27%	0.267	19%	0.186	S	C	.	.	H	α-helix	trans	-61.5	-41	175.6	-69.6	-9.1	0	0	0	110.6	Q778 I785 K786	Q778-D782 PolarHBondContact NE2-OD1 3.29Å; Q778-D782 VanDerWaalsContact O-CG 3.29Å; Q778-D782 PolarHBondContact O-N 2.77Å; D782-I785 PolarHBondContact O-N 3.24Å; D782-K786 WeakPolarHBondContact O-CB 3.31Å; D782-K786 PolarHBondContact O-N 2.95Å
783	F	94	Very high	92.7	Very high	26 Å²	26	36 Å²	36	11%	0.114	18%	0.177	C	C	.	.	H	α-helix	trans	-59.3	-49.6	171.9	-175.8	-86.3	0	0	0	111.5	E779 I781 I785 K786 W787 L955 I969 I970 F1153 L1208	E779-F783 WeakPolarHBondContact O-CB 3.34Å; E779-F783 PolarHBondContact O-N 3.28Å; I781-F783 VanDerWaalsContact C-N 3.28Å; I781-F783 PolarHBondContact O-N 3.09Å; F783-I785 VanDerWaalsContact C-N 3.35Å; F783-I785 PolarHBondContact O-N 3.22Å; F783-K786 PolarHBondContact O-N 2.87Å; F783-W787 AromaticContact CD1-CD1 3.68Å; F783-W787 AromaticContact CD2-CD1 3.93Å; F783-W787 AromaticContact CD2-NE1 3.7Å; F783-W787 AromaticContact CE1-CD1 3.46Å; F783-W787 VanDerWaalsContact CE1-CD1 3.46Å; F783-W787 HydrophobicContact CE1-CG 4.45Å; F783-W787 AromaticContact CE1-NE1 3.64Å; F783-W787 AromaticContact CE2-CD1 3.75Å; F783-W787 AromaticContact CE2-NE1 3.16Å; F783-W787 AromaticContact CG-CD1 3.91Å; F783-W787 AromaticContact CZ-CD1 3.51Å; F783-W787 AromaticContact CZ-NE1 3.13Å; F783-W787 VanDerWaalsContact O-CD1 3.23Å; F783-W787 PolarHBondContact O-N 3.45Å; F783-W787 VanDerWaalsContact O-N 3.11Å; F783-L955 HydrophobicContact CE1-CD2 4.31Å; F783-I969 HydrophobicContact CZ-CG2 4.23Å; F783-I970 HydrophobicContact CB-CD1 4.18Å; F783-I970 HydrophobicContact CB-CG2 3.98Å; F783-I970 HydrophobicContact CD1-CD1 3.6Å; F783-I970 HydrophobicContact CD1-CG1 3.81Å; F783-I970 HydrophobicContact CD2-CB 4.46Å; F783-I970 HydrophobicContact CD2-CG1 4.08Å; F783-I970 HydrophobicContact CD2-CG2 3.97Å; F783-I970 HydrophobicContact CE1-CD1 4.06Å; F783-I970 HydrophobicContact CE1-CG1 3.91Å; F783-I970 HydrophobicContact CE2-CG1 4.16Å; F783-I970 HydrophobicContact CG-CD1 3.89Å; F783-I970 HydrophobicContact CG-CG1 3.9Å; F783-I970 HydrophobicContact CG-CG2 4.01Å; F783-I970 HydrophobicContact CZ-CG1 4.08Å; F783-F1153 AromaticContact CE1-CE1 3.4Å; F783-F1153 HydrophobicContact CE1-CE1 3.4Å; F783-F1153 VanDerWaalsContact CE1-CE1 3.4Å; F783-F1153 AromaticContact CE1-CZ 3.52Å; F783-F1153 HydrophobicContact CE1-CZ 3.52Å; F783-F1153 HydrophobicContact CZ-CD1 4.18Å; F783-F1153 AromaticContact CZ-CE1 3.36Å; F783-F1153 HydrophobicContact CZ-CE1 3.36Å; F783-F1153 HydrophobicContact CZ-CE2 4.33Å; F783-F1153 AromaticContact CZ-CZ 3.45Å; F783-F1153 HydrophobicContact CZ-CZ 3.45Å; F783-F1153 VanDerWaalsContact CZ-CZ 3.45Å; F783-L1208 HydrophobicContact CE2-CD2 4.37Å; F783-L1208 HydrophobicContact CZ-CD2 4.37Å
784	F	94.7	Very high	93	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-56.4	-46.5	176.2	171.1	-99.1	0	0	0	112.3	L746 F747 H780 I781 S788 L952 V953 M956	L746-F784 HydrophobicContact CB-CD1 3.92Å; L746-F784 HydrophobicContact CB-CE1 3.65Å; L746-F784 HydrophobicContact CB-CZ 4.35Å; L746-F784 HydrophobicContact CD1-CD1 4.07Å; L746-F784 HydrophobicContact CD1-CD2 4.14Å; L746-F784 HydrophobicContact CD1-CE1 3.81Å; L746-F784 HydrophobicContact CD1-CE2 3.92Å; L746-F784 HydrophobicContact CD1-CG 4.23Å; L746-F784 HydrophobicContact CD1-CZ 3.75Å; L746-F784 HydrophobicContact CG-CD1 4.41Å; L746-F784 HydrophobicContact CG-CE1 4.31Å; F747-F784 HydrophobicContact CD1-CE1 4.41Å; F747-F784 HydrophobicContact CE1-CD1 4.41Å; F747-F784 AromaticContact CE1-CE1 3.7Å; F747-F784 HydrophobicContact CE1-CE1 3.7Å; F747-F784 AromaticContact CE2-CE1 3.85Å; F747-F784 HydrophobicContact CE2-CE1 3.85Å; F747-F784 HydrophobicContact CE2-CZ 4.07Å; F747-F784 HydrophobicContact CZ-CD1 4.44Å; F747-F784 AromaticContact CZ-CE1 3.39Å; F747-F784 HydrophobicContact CZ-CE1 3.39Å; F747-F784 AromaticContact CZ-CZ 3.83Å; F747-F784 HydrophobicContact CZ-CZ 3.83Å; H780-F784 PolarHBondContact O-N 2.63Å; I781-F784 WeakPolarHBondContact O-CB 3.37Å; I781-F784 PolarHBondContact O-N 2.82Å; I781-F784 VanDerWaalsContact O-N 3.16Å; F784-S788 VanDerWaalsContact O-CB 3.25Å; F784-S788 WeakPolarHBondContact O-CB 3.34Å; F784-S788 PolarHBondContact O-N 3.43Å; F784-S788 PolarHBondContact O-OG 3.39Å; F784-L952 HydrophobicContact CD2-CB 3.86Å; F784-L952 HydrophobicContact CE2-CB 3.92Å; F784-V953 HydrophobicContact CE2-CG2 3.73Å; F784-V953 HydrophobicContact CZ-CG2 3.99Å; F784-M956 HydrophobicContact CB-CE 4.02Å; F784-M956 HydrophobicContact CB-CG 4.24Å; F784-M956 HydrophobicContact CB-SD 4.15Å; F784-M956 HydrophobicContact CD2-CG 3.99Å; F784-M956 HydrophobicContact CG-CG 4.27Å
785	I	92.8	Very high	93.1	Very high	34 Å²	34	31 Å²	31	17%	0.174	15%	0.145	C	C	.	.	H	α-helix	trans	-65.6	-45	-179.4	-68.7	169.5	0	0	0	110.6	F747 I781 D782 F783 S788 K789	F747-I785 HydrophobicContact CE1-CG1 4.33Å; I781-I785 HydrophobicContact CG2-CD1 3.87Å; I781-I785 HydrophobicContact CG2-CG1 4.44Å; I781-I785 WeakPolarHBondContact O-CG1 3.13Å; I781-I785 PolarHBondContact O-N 3.29Å; D782-I785 PolarHBondContact O-N 3.24Å; F783-I785 VanDerWaalsContact C-N 3.35Å; F783-I785 PolarHBondContact O-N 3.22Å; I785-S788 PolarHBondContact O-N 2.97Å; I785-K789 HydrophobicContact CG2-CD 4.1Å; I785-K789 HydrophobicContact CG2-CG 4.43Å; I785-K789 WeakPolarHBondContact O-CB 3.45Å; I785-K789 WeakPolarHBondContact O-CG 3.46Å; I785-K789 PolarHBondContact O-N 3.01Å
786	K	92.2	Very high	93	Very high	90 Å²	90	29.6 Å²	29.6	39%	0.391	14%	0.139	S	C	.	.	H	α-helix	trans	-55.8	-55.4	178	177.3	-175.6	174.3	-178.2	0	111	D782 F783 S788 K789 L790	D782-K786 WeakPolarHBondContact O-CB 3.31Å; D782-K786 PolarHBondContact O-N 2.95Å; F783-K786 PolarHBondContact O-N 2.87Å; K786-S788 VanDerWaalsContact C-N 3.32Å; K786-S788 PolarHBondContact O-N 3.29Å; K786-K789 WeakPolarHBondContact O-CB 3.37Å; K786-K789 PolarHBondContact O-N 3.24Å; K786-L790 HydrophobicContact CG-CD1 4.36Å; K786-L790 WeakPolarHBondContact O-CG 3.36Å; K786-L790 PolarHBondContact O-N 3.43Å
787	W	94.4	Very high	92.6	Very high	3 Å²	3	32.5 Å²	32.5	1%	0.011	16%	0.155	C	C	.	.	H	α-helix	trans	-68.1	-32.9	-177.6	-73.4	101.1	0	0	0	112.7	F783 L790 L791 L952 F1153 P1154 L1201 Q1203	F783-W787 AromaticContact CD1-CD1 3.68Å; F783-W787 AromaticContact CD2-CD1 3.93Å; F783-W787 AromaticContact CD2-NE1 3.7Å; F783-W787 AromaticContact CE1-CD1 3.46Å; F783-W787 VanDerWaalsContact CE1-CD1 3.46Å; F783-W787 HydrophobicContact CE1-CG 4.45Å; F783-W787 AromaticContact CE1-NE1 3.64Å; F783-W787 AromaticContact CE2-CD1 3.75Å; F783-W787 AromaticContact CE2-NE1 3.16Å; F783-W787 AromaticContact CG-CD1 3.91Å; F783-W787 AromaticContact CZ-CD1 3.51Å; F783-W787 AromaticContact CZ-NE1 3.13Å; F783-W787 VanDerWaalsContact O-CD1 3.23Å; F783-W787 PolarHBondContact O-N 3.45Å; F783-W787 VanDerWaalsContact O-N 3.11Å; W787-L790 HydrophobicContact CD2-CD1 4.49Å; W787-L790 HydrophobicContact CE3-CD1 4.18Å; W787-L790 PolarHBondContact O-N 3.23Å; W787-L791 WeakPolarHBondContact O-CG 2.91Å; W787-L791 PolarHBondContact O-N 2.99Å; W787-L952 HydrophobicContact CB-CD1 3.72Å; W787-L952 HydrophobicContact CB-CD2 4.01Å; W787-F1153 AromaticContact CD2-CD1 3.6Å; W787-F1153 HydrophobicContact CD2-CD1 3.6Å; W787-F1153 HydrophobicContact CD2-CE1 4.1Å; W787-F1153 AromaticContact CE2-CD1 3.5Å; W787-F1153 VanDerWaalsContact CE2-CD1 3.5Å; W787-F1153 AromaticContact CE2-CE1 3.99Å; W787-F1153 AromaticContact CE3-CD1 3.84Å; W787-F1153 HydrophobicContact CE3-CD1 3.84Å; W787-F1153 HydrophobicContact CG-CD1 4.15Å; W787-F1153 HydrophobicContact CG-CE1 4.18Å; W787-F1153 HydrophobicContact CH2-CB 3.71Å; W787-F1153 AromaticContact CH2-CD1 3.92Å; W787-F1153 HydrophobicContact CH2-CD1 3.92Å; W787-F1153 HydrophobicContact CH2-CG 4.14Å; W787-F1153 HydrophobicContact CZ2-CB 4.15Å; W787-F1153 AromaticContact CZ2-CD1 3.68Å; W787-F1153 HydrophobicContact CZ2-CD1 3.68Å; W787-F1153 HydrophobicContact CZ2-CG 4.1Å; W787-F1153 HydrophobicContact CZ3-CB 3.96Å; W787-F1153 AromaticContact CZ3-CD1 3.98Å; W787-F1153 HydrophobicContact CZ3-CD1 3.98Å; W787-F1153 HydrophobicContact CZ3-CG 4.43Å; W787-F1153 AromaticContact NE1-CD1 3.97Å; W787-F1153 AromaticContact NE1-CE1 3.99Å; W787-P1154 HydrophobicContact CE3-CG 3.98Å; W787-L1201 HydrophobicContact CE3-CD1 4Å; W787-L1201 HydrophobicContact CZ3-CD1 3.94Å; W787-Q1203 HydrophobicContact CH2-CB 4.42Å
788	S	94.5	Very high	92.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.8	-45	172.4	-63.7	0	0	0	0	111.7	F784 I785 K786 L791 L792	F784-S788 VanDerWaalsContact O-CB 3.25Å; F784-S788 WeakPolarHBondContact O-CB 3.34Å; F784-S788 PolarHBondContact O-N 3.43Å; F784-S788 PolarHBondContact O-OG 3.39Å; I785-S788 PolarHBondContact O-N 2.97Å; K786-S788 VanDerWaalsContact C-N 3.32Å; K786-S788 PolarHBondContact O-N 3.29Å; S788-L791 PolarHBondContact O-N 3.07Å; S788-L792 WeakPolarHBondContact O-CG 3.38Å; S788-L792 PolarHBondContact O-N 3.37Å
789	K	92.7	Very high	91.4	Very high	21 Å²	21	28.2 Å²	28.2	9%	0.091	14%	0.135	C	C	.	.	H	α-helix	trans	-58.7	-49.8	174.6	-77.4	172.3	173.3	179.4	0	111.4	P721 L723 I785 K786 L791 L792 T793	P721-K789 WeakPolarHBondContact O-CE 3.25Å; P721-K789 PolarHBondContact O-NZ 2.93Å; L723-K789 HydrophobicContact CD1-CG 4.37Å; L723-K789 HydrophobicContact CD2-CG 3.81Å; L723-K789 HydrophobicContact CG-CG 4.07Å; I785-K789 HydrophobicContact CG2-CD 4.1Å; I785-K789 HydrophobicContact CG2-CG 4.43Å; I785-K789 WeakPolarHBondContact O-CB 3.45Å; I785-K789 WeakPolarHBondContact O-CG 3.46Å; I785-K789 PolarHBondContact O-N 3.01Å; K786-K789 WeakPolarHBondContact O-CB 3.37Å; K786-K789 PolarHBondContact O-N 3.24Å; K789-L791 VanDerWaalsContact C-N 3.28Å; K789-L791 PolarHBondContact O-N 3.39Å; K789-L792 CarbonylContact O-C 3.59Å; K789-L792 WeakPolarHBondContact O-CA 3.38Å; K789-L792 PolarHBondContact O-N 2.99Å; K789-T793 PolarHBondContact O-N 3.35Å; K789-T793 PolarHBondContact O-OG1 3.06Å
790	L	93.4	Very high	91	Very high	3 Å²	3	24 Å²	24	2%	0.016	12%	0.115	C	C	.	.	H	α-helix	trans	-57.6	-41.6	179.1	-66.1	175.5	0	0	0	112.2	L716 K786 W787 T793 E794 G1199 L1201	L716-L790 HydrophobicContact CD2-CD2 4.23Å; K786-L790 HydrophobicContact CG-CD1 4.36Å; K786-L790 WeakPolarHBondContact O-CG 3.36Å; K786-L790 PolarHBondContact O-N 3.43Å; W787-L790 HydrophobicContact CD2-CD1 4.49Å; W787-L790 HydrophobicContact CE3-CD1 4.18Å; W787-L790 PolarHBondContact O-N 3.23Å; L790-T793 PolarHBondContact O-N 3.31Å; L790-E794 WeakPolarHBondContact O-CB 3.38Å; L790-E794 PolarHBondContact O-N 3.24Å; L790-G1199 WeakPolarHBondContact CD1-O 3.35Å; L790-L1201 HydrophobicContact CB-CB 4.23Å; L790-L1201 HydrophobicContact CB-CD1 4.12Å; L790-L1201 HydrophobicContact CB-CD2 4.43Å; L790-L1201 HydrophobicContact CB-CG 4.49Å; L790-L1201 HydrophobicContact CD1-CB 4.4Å
791	L	94.4	Very high	90.6	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-65.7	-36.2	175.5	-73.9	169.8	0	0	0	112.7	W787 S788 K789 Y795 I945 N948 L949 L952 P1154 L1201	W787-L791 WeakPolarHBondContact O-CG 2.91Å; W787-L791 PolarHBondContact O-N 2.99Å; S788-L791 PolarHBondContact O-N 3.07Å; K789-L791 VanDerWaalsContact C-N 3.28Å; K789-L791 PolarHBondContact O-N 3.39Å; L791-Y795 PolarHBondContact O-N 3.26Å; L791-I945 HydrophobicContact CB-CG2 4.38Å; L791-N948 HydrophobicContact CD1-CB 3.83Å; L791-N948 HydrophobicContact CD2-CB 3.99Å; L791-L949 HydrophobicContact CB-CD2 4.17Å; L791-L949 HydrophobicContact CD1-CD2 3.73Å; L791-L949 HydrophobicContact CD1-CG 4Å; L791-L952 HydrophobicContact CD1-CD1 3.66Å; L791-P1154 HydrophobicContact CD1-CB 4.3Å; L791-P1154 HydrophobicContact CD1-CG 4.15Å; L791-L1201 HydrophobicContact CD2-CD1 4.16Å; L791-L1201 HydrophobicContact CG-CD1 4.44Å
792	L	94.4	Very high	90.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-73.1	-34.8	174.2	-67.4	176.2	0	0	0	112.4	F449 W450 L705 L706 A709 L723 S788 K789 Y795 L796	F449-L792 HydrophobicContact CB-CD2 4.48Å; F449-L792 HydrophobicContact CD1-CD2 3.68Å; F449-L792 HydrophobicContact CD2-CD2 4.12Å; F449-L792 HydrophobicContact CE1-CD2 3.83Å; F449-L792 HydrophobicContact CE2-CD2 4.25Å; F449-L792 HydrophobicContact CG-CD2 3.84Å; F449-L792 HydrophobicContact CZ-CD2 4.12Å; W450-L792 HydrophobicContact CH2-CD1 4.17Å; L705-L792 HydrophobicContact CD1-CD1 4.19Å; L705-L792 HydrophobicContact CG-CD1 4.35Å; L706-L792 HydrophobicContact CD2-CD2 4.34Å; A709-L792 HydrophobicContact CB-CB 3.57Å; A709-L792 HydrophobicContact CB-CD1 4.02Å; A709-L792 HydrophobicContact CB-CG 4.47Å; L723-L792 HydrophobicContact CD1-CD1 4Å; L723-L792 HydrophobicContact CD2-CD1 4.06Å; S788-L792 WeakPolarHBondContact O-CG 3.38Å; S788-L792 PolarHBondContact O-N 3.37Å; K789-L792 CarbonylContact O-C 3.59Å; K789-L792 WeakPolarHBondContact O-CA 3.38Å; K789-L792 PolarHBondContact O-N 2.99Å; L792-Y795 VanDerWaalsContact O-CB 3.3Å; L792-Y795 WeakPolarHBondContact O-CB 3.23Å; L792-Y795 PolarHBondContact O-N 3.32Å; L792-L796 WeakPolarHBondContact O-CG 3.39Å; L792-L796 PolarHBondContact O-N 2.87Å
793	T	92.3	Very high	90.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-65.3	-41.7	171.5	-47.6	0	0	0	0	110.5	A709 K789 L790 Y795 L796 D797 K1195 A1196	A709-T793 PolarHBondContact O-OG1 3.24Å; K789-T793 PolarHBondContact O-N 3.35Å; K789-T793 PolarHBondContact O-OG1 3.06Å; L790-T793 PolarHBondContact O-N 3.31Å; T793-Y795 VanDerWaalsContact C-N 3.32Å; T793-Y795 PolarHBondContact O-N 2.72Å; T793-L796 WeakPolarHBondContact O-CB 3.48Å; T793-L796 PolarHBondContact O-N 2.9Å; T793-L796 VanDerWaalsContact O-N 3.16Å; T793-D797 PolarHBondContact O-N 3Å; T793-K1195 HydrophobicContact CG2-CB 3.79Å; T793-K1195 HydrophobicContact CG2-CD 4.25Å; T793-A1196 HydrophobicContact CG2-CB 4.3Å
794	E	92.4	Very high	90.1	Very high	16 Å²	16	26.5 Å²	26.5	8%	0.075	13%	0.126	C	C	.	.	H	α-helix	trans	-61.2	-40	170.9	175.2	60.5	-158.4	0	0	111.5	L790 L796 N798 V1191 R1192 S1193 A1196 L1201	L790-E794 WeakPolarHBondContact O-CB 3.38Å; L790-E794 PolarHBondContact O-N 3.24Å; E794-L796 VanDerWaalsContact C-N 3.29Å; E794-L796 PolarHBondContact O-N 3.42Å; E794-N798 PolarHBondContact O-N 2.67Å; E794-N798 PolarHBondContact O-ND2 3.31Å; E794-N798 PolarHBondContact OE1-ND2 3.16Å; E794-V1191 VanDerWaalsContact OE2-CG1 3.3Å; E794-V1191 WeakPolarHBondContact OE2-CG1 3.37Å; E794-R1192 WeakPolarHBondContact OE1-CB 3.34Å; E794-R1192 PolarHBondContact OE1-N 3.12Å; E794-R1192 PolarHBondContact OE2-N 3.1Å; E794-S1193 WeakPolarHBondContact OE2-CB 3.38Å; E794-S1193 PolarHBondContact OE2-N 2.91Å; E794-A1196 HydrophobicContact CB-CB 4.29Å; E794-L1201 HydrophobicContact CB-CD2 3.59Å; E794-L1201 HydrophobicContact CG-CD2 4.05Å
795	Y	92.1	Very high	90	Very high	9 Å²	9	26.5 Å²	26.5	4%	0.035	13%	0.126	C	C	.	.	H	α-helix	trans	-57.6	-42	172.5	177.8	-91.8	0	0	0	112.1	Y448 F449 L706 L791 L792 T793 N798 R800 E802 M942 I945	Y448-Y795 PolarHBondContact OH-OH 2.82Å; F449-Y795 HydrophobicContact CE1-CD1 4.04Å; F449-Y795 HydrophobicContact CE1-CD2 4.04Å; F449-Y795 HydrophobicContact CE1-CE1 4.08Å; F449-Y795 HydrophobicContact CE1-CE2 4.05Å; F449-Y795 HydrophobicContact CE1-CG 4.04Å; F449-Y795 HydrophobicContact CZ-CD1 4.39Å; F449-Y795 HydrophobicContact CZ-CE1 4.24Å; L706-Y795 HydrophobicContact CD1-CD1 4.28Å; L706-Y795 HydrophobicContact CD1-CE1 3.87Å; L706-Y795 HydrophobicContact CD2-CD1 3.61Å; L706-Y795 HydrophobicContact CD2-CE1 4.02Å; L791-Y795 PolarHBondContact O-N 3.26Å; L792-Y795 VanDerWaalsContact O-CB 3.3Å; L792-Y795 WeakPolarHBondContact O-CB 3.23Å; L792-Y795 PolarHBondContact O-N 3.32Å; T793-Y795 VanDerWaalsContact C-N 3.32Å; T793-Y795 PolarHBondContact O-N 2.72Å; Y795-N798 WeakPolarHBondContact O-CB 3.47Å; Y795-N798 PolarHBondContact O-N 2.99Å; Y795-R800 HydrophobicContact CE1-CG 4.22Å; Y795-R800 WeakPolarHBondContact O-CD 3.1Å; Y795-R800 WeakPolarHBondContact O-CG 2.84Å; Y795-E802 PolarHBondContact OH-OE1 3.48Å; Y795-E802 PolarHBondContact OH-OE2 3.2Å; Y795-M942 HydrophobicContact CD2-CB 4.28Å; Y795-M942 HydrophobicContact CD2-CG 4.12Å; Y795-M942 HydrophobicContact CD2-SD 4.3Å; Y795-M942 HydrophobicContact CE2-CB 4.1Å; Y795-M942 HydrophobicContact CE2-CG 3.83Å; Y795-I945 HydrophobicContact CD2-CD1 3.95Å; Y795-I945 HydrophobicContact CG-CD1 4.35Å
796	L	90.8	Very high	89.8	Confident	25 Å²	25	25 Å²	25	13%	0.131	12%	0.119	C	C	.	.	H	α-helix	trans	-65.6	-41.4	-176.1	-81.1	172.7	0	0	0	114	L706 D710 L792 T793 E794 N798	L706-L796 HydrophobicContact CB-CD2 4.04Å; L706-L796 HydrophobicContact CD1-CD2 4.27Å; L706-L796 HydrophobicContact CD2-CD2 4.2Å; L706-L796 HydrophobicContact CD2-CG 4.21Å; L706-L796 HydrophobicContact CG-CD2 4.42Å; L706-L796 WeakPolarHBondContact O-CD1 3.32Å; D710-L796 HydrophobicContact CB-CD1 3.58Å; L792-L796 WeakPolarHBondContact O-CG 3.39Å; L792-L796 PolarHBondContact O-N 2.87Å; T793-L796 WeakPolarHBondContact O-CB 3.48Å; T793-L796 PolarHBondContact O-N 2.9Å; T793-L796 VanDerWaalsContact O-N 3.16Å; E794-L796 VanDerWaalsContact C-N 3.29Å; E794-L796 PolarHBondContact O-N 3.42Å; L796-N798 VanDerWaalsContact C-N 3.26Å; L796-N798 PolarHBondContact O-N 3.31Å
797	D	85.7	Confident	89.6	Confident	76 Å²	76	24.8 Å²	24.8	41%	0.406	12%	0.122	S	C	.	.	H	α-helix	trans	-84.4	-1.8	-179.3	-68	-17.7	0	0	0	112.8	T793 S1193	T793-D797 PolarHBondContact O-N 3Å; D797-S1193 WeakPolarHBondContact OD2-CA 3.4Å; D797-S1193 WeakPolarHBondContact OD2-CB 3.29Å; D797-S1193 PolarHBondContact OD2-OG 3.45Å
798	N	81.6	Confident	89.2	Confident	15 Å²	15	24.7 Å²	24.7	8%	0.08	12%	0.121	C	C	.	.	S	Bend	trans	-77.2	163.9	175	-95.3	-57.2	0	0	0	112.8	E794 Y795 L796 R800 M942 R1192	E794-N798 PolarHBondContact O-N 2.67Å; E794-N798 PolarHBondContact O-ND2 3.31Å; E794-N798 PolarHBondContact OE1-ND2 3.16Å; Y795-N798 WeakPolarHBondContact O-CB 3.47Å; Y795-N798 PolarHBondContact O-N 2.99Å; L796-N798 VanDerWaalsContact C-N 3.26Å; L796-N798 PolarHBondContact O-N 3.31Å; N798-R800 WeakPolarHBondContact O-CG 2.82Å; N798-R800 PolarHBondContact O-N 2.66Å; N798-M942 HydrophobicContact CB-CE 4.33Å; N798-M942 HydrophobicContact CB-SD 4.06Å; N798-R1192 WeakPolarHBondContact OD1-CD 3.39Å; N798-R1192 PolarHBondContact OD1-NH1 3.24Å
799	E	76.4	Confident	88.8	Confident	98 Å²	98	25.3 Å²	25.3	46%	0.458	12%	0.124	S	C	.	.			trans	-68.7	83.9	167	-72.6	178.6	174.4	0	0	109.5	R938 V940	E799-R938 IonicContact OE2-NE 3.21Å; E799-V940 HydrophobicContact CB-CG2 4.48Å
800	R	83.9	Confident	88.3	Confident	28 Å²	28	29 Å²	29	11%	0.106	14%	0.14	C	C	.	.			trans	-70.1	146.1	-176.3	-54.7	-171.7	-67.1	160.7	-13.6	111.5	Y427 Y795 N798 E802 H803 V804	Y427-R800 PolarHBondContact OH-NH1 2.75Å; Y795-R800 HydrophobicContact CE1-CG 4.22Å; Y795-R800 WeakPolarHBondContact O-CD 3.1Å; Y795-R800 WeakPolarHBondContact O-CG 2.84Å; N798-R800 WeakPolarHBondContact O-CG 2.82Å; N798-R800 PolarHBondContact O-N 2.66Å; R800-E802 VanDerWaalsContact C-N 3.27Å; R800-E802 VanDerWaalsContact CB-CD 3.44Å; R800-E802 HydrophobicContact CB-CG 4.07Å; R800-E802 WeakPolarHBondContact CB-OE2 3.3Å; R800-E802 WeakPolarHBondContact CD-OE1 3.43Å; R800-E802 IonicContact CZ-OE1 3.62Å; R800-E802 VanDerWaalsContact CZ-OE1 3.24Å; R800-E802 IonicContact NE-OE1 2.78Å; R800-E802 PolarHBondContact NE-OE1 3.22Å; R800-E802 IonicContact NH1-OE1 3.42Å; R800-E802 PolarHBondContact NH1-OE1 3.1Å; R800-E802 PolarHBondContact O-N 3.41Å; R800-H803 PolarHBondContact NE-CE1 2.88Å; R800-H803 VanDerWaalsContact NE-CE1 3.29Å; R800-H803 PolarHBondContact NE-NE2 2.92Å; R800-H803 PolarHBondContact NH2-CE1 3.21Å; R800-H803 PolarHBondContact NH2-NE2 3.09Å; R800-H803 WeakPolarHBondContact O-CB 3.45Å; R800-H803 PolarHBondContact O-N 3.45Å; R800-V804 PolarHBondContact O-N 3.12Å; R800-V804 VanDerWaalsContact O-N 3.16Å
801	F	86.2	Confident	87.7	Confident	29 Å²	29	31 Å²	31	13%	0.127	15%	0.152	C	C	.	.	H	α-helix	trans	-55.2	-44.3	178.9	175.1	-107.8	0	0	0	111.6	L428 W577 H803 V804 I805 I875 Y939	L428-F801 HydrophobicContact CB-CE1 4.12Å; L428-F801 HydrophobicContact CD1-CE1 4.06Å; L428-F801 HydrophobicContact CD1-CZ 4.06Å; L428-F801 HydrophobicContact CG-CE1 4.33Å; W577-F801 HydrophobicContact CE3-CZ 4.04Å; W577-F801 AromaticContact CH2-CE2 3.92Å; W577-F801 HydrophobicContact CH2-CE2 3.92Å; W577-F801 AromaticContact CH2-CZ 3.93Å; W577-F801 HydrophobicContact CH2-CZ 3.93Å; W577-F801 AromaticContact CZ3-CE2 3.72Å; W577-F801 HydrophobicContact CZ3-CE2 3.72Å; W577-F801 AromaticContact CZ3-CZ 3.58Å; W577-F801 HydrophobicContact CZ3-CZ 3.58Å; F801-H803 VanDerWaalsContact C-N 3.3Å; F801-H803 PolarHBondContact O-N 2.83Å; F801-V804 WeakPolarHBondContact O-CB 3.32Å; F801-V804 PolarHBondContact O-N 3.29Å; F801-V804 VanDerWaalsContact O-N 3.11Å; F801-I805 HydrophobicContact CD1-CG1 4.24Å; F801-I805 HydrophobicContact CD2-CG1 4.43Å; F801-I805 HydrophobicContact CE1-CD1 4.34Å; F801-I805 HydrophobicContact CE1-CG1 3.86Å; F801-I805 HydrophobicContact CE2-CD1 3.92Å; F801-I805 HydrophobicContact CE2-CG1 4.08Å; F801-I805 HydrophobicContact CZ-CD1 3.76Å; F801-I805 HydrophobicContact CZ-CG1 3.79Å; F801-I805 WeakPolarHBondContact O-CG1 3.43Å; F801-I805 PolarHBondContact O-N 3.29Å; F801-I875 HydrophobicContact CD2-CD1 4.05Å; F801-I875 HydrophobicContact CE2-CD1 3.78Å; F801-Y939 AromaticContact CD2-CD2 3.98Å; F801-Y939 HydrophobicContact CD2-CD2 3.98Å; F801-Y939 AromaticContact CD2-CE2 3.67Å; F801-Y939 HydrophobicContact CD2-CE2 3.67Å; F801-Y939 HydrophobicContact CE2-CE2 4.28Å; F801-Y939 HydrophobicContact CG-CE2 4.47Å
802	E	90.1	Very high	86.8	Confident	4 Å²	4	31.9 Å²	31.9	2%	0.019	16%	0.159	C	C	.	.	H	α-helix	trans	-60.5	-33.8	176.1	59.2	-88.9	-152.9	0	0	113.3	D426 Y427 Y795 R800 I805 G806	D426-E802 HydrophobicContact CB-CB 4.32Å; D426-E802 WeakPolarHBondContact CB-O 3.5Å; D426-E802 WeakPolarHBondContact O-CA 3.34Å; D426-E802 WeakPolarHBondContact O-CB 3.47Å; Y427-E802 HydrophobicContact CD1-CB 4.34Å; Y427-E802 HydrophobicContact CD1-CG 4.34Å; Y427-E802 HydrophobicContact CD2-CB 4.33Å; Y427-E802 HydrophobicContact CE1-CB 4.45Å; Y427-E802 HydrophobicContact CE1-CG 3.95Å; Y427-E802 WeakPolarHBondContact CE1-OE1 3.25Å; Y427-E802 HydrophobicContact CE2-CB 4.44Å; Y427-E802 HydrophobicContact CE2-CG 4.19Å; Y427-E802 HydrophobicContact CG-CB 4.29Å; Y795-E802 PolarHBondContact OH-OE1 3.48Å; Y795-E802 PolarHBondContact OH-OE2 3.2Å; R800-E802 VanDerWaalsContact C-N 3.27Å; R800-E802 VanDerWaalsContact CB-CD 3.44Å; R800-E802 HydrophobicContact CB-CG 4.07Å; R800-E802 WeakPolarHBondContact CB-OE2 3.3Å; R800-E802 WeakPolarHBondContact CD-OE1 3.43Å; R800-E802 IonicContact CZ-OE1 3.62Å; R800-E802 VanDerWaalsContact CZ-OE1 3.24Å; R800-E802 IonicContact NE-OE1 2.78Å; R800-E802 PolarHBondContact NE-OE1 3.22Å; R800-E802 IonicContact NH1-OE1 3.42Å; R800-E802 PolarHBondContact NH1-OE1 3.1Å; R800-E802 PolarHBondContact O-N 3.41Å; E802-I805 PolarHBondContact O-N 3.19Å; E802-G806 PolarHBondContact O-N 3.03Å
803	H	89	Confident	85.5	Confident	85 Å²	85	34.3 Å²	34.3	39%	0.394	17%	0.172	S	C	.	.	H	α-helix	trans	-68.9	-40.3	174.6	-67.7	170.4	0	0	0	111.3	R800 F801 G806 N807	R800-H803 PolarHBondContact NE-CE1 2.88Å; R800-H803 VanDerWaalsContact NE-CE1 3.29Å; R800-H803 PolarHBondContact NE-NE2 2.92Å; R800-H803 PolarHBondContact NH2-CE1 3.21Å; R800-H803 PolarHBondContact NH2-NE2 3.09Å; R800-H803 WeakPolarHBondContact O-CB 3.45Å; R800-H803 PolarHBondContact O-N 3.45Å; F801-H803 VanDerWaalsContact C-N 3.3Å; F801-H803 PolarHBondContact O-N 2.83Å; H803-G806 PolarHBondContact O-N 3.02Å; H803-N807 WeakPolarHBondContact O-CB 3.34Å; H803-N807 PolarHBondContact O-N 3.34Å; H803-N807 PolarHBondContact O-ND2 3.49Å
804	V	89.1	Confident	84.3	Confident	20 Å²	20	41.5 Å²	41.5	12%	0.121	20%	0.203	C	C	.	.	H	α-helix	trans	-62.9	-45.4	175.6	-178.7	0	0	0	0	110.2	R800 F801 N807 I808 I875 D937	R800-V804 PolarHBondContact O-N 3.12Å; R800-V804 VanDerWaalsContact O-N 3.16Å; F801-V804 WeakPolarHBondContact O-CB 3.32Å; F801-V804 PolarHBondContact O-N 3.29Å; F801-V804 VanDerWaalsContact O-N 3.11Å; V804-N807 WeakPolarHBondContact O-CB 3.43Å; V804-N807 PolarHBondContact O-N 2.98Å; V804-I808 HydrophobicContact CG1-CD1 4.16Å; V804-I808 WeakPolarHBondContact O-CG1 3.39Å; V804-I808 PolarHBondContact O-N 3.29Å; V804-I875 HydrophobicContact CG1-CD1 4.03Å; V804-D937 HydrophobicContact CG1-CB 3.9Å
805	I	90.8	Very high	82.8	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.3	-47.6	176	-64.1	-54.6	0	0	0	111.7	D426 L428 W577 N579 F801 E802 N807 I808 Y809	D426-I805 HydrophobicContact CB-CG2 4.45Å; L428-I805 HydrophobicContact CD1-CD1 3.79Å; L428-I805 HydrophobicContact CD1-CG1 3.84Å; L428-I805 HydrophobicContact CD1-CG2 4.11Å; L428-I805 HydrophobicContact CD2-CG2 4.42Å; L428-I805 HydrophobicContact CG-CG1 4.3Å; L428-I805 HydrophobicContact CG-CG2 4.17Å; W577-I805 HydrophobicContact CE3-CD1 4.1Å; W577-I805 HydrophobicContact CZ3-CD1 4.03Å; N579-I805 VanDerWaalsContact ND2-CG2 3.34Å; N579-I805 WeakPolarHBondContact ND2-CG2 2.68Å; F801-I805 HydrophobicContact CD1-CG1 4.24Å; F801-I805 HydrophobicContact CD2-CG1 4.43Å; F801-I805 HydrophobicContact CE1-CD1 4.34Å; F801-I805 HydrophobicContact CE1-CG1 3.86Å; F801-I805 HydrophobicContact CE2-CD1 3.92Å; F801-I805 HydrophobicContact CE2-CG1 4.08Å; F801-I805 HydrophobicContact CZ-CD1 3.76Å; F801-I805 HydrophobicContact CZ-CG1 3.79Å; F801-I805 WeakPolarHBondContact O-CG1 3.43Å; F801-I805 PolarHBondContact O-N 3.29Å; E802-I805 PolarHBondContact O-N 3.19Å; I805-N807 VanDerWaalsContact C-N 3.27Å; I805-N807 PolarHBondContact O-N 3.19Å; I805-I808 HydrophobicContact CD1-CD1 4.27Å; I805-I808 PolarHBondContact O-N 3.26Å; I805-Y809 PolarHBondContact O-N 3.46Å; I805-Y809 VanDerWaalsContact O-N 3.14Å
806	G	89.3	Confident	81.4	Confident	3 Å²	3	52 Å²	52	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-61.5	-36.1	176.2	0	0	0	0	0	112.7	D426 E802 H803 K810	D426-G806 VanDerWaalsContact CG-CA 3.44Å; D426-G806 WeakPolarHBondContact OD1-CA 3.02Å; D426-G806 WeakPolarHBondContact OD2-CA 3.18Å; E802-G806 PolarHBondContact O-N 3.03Å; H803-G806 PolarHBondContact O-N 3.02Å; G806-K810 WeakPolarHBondContact O-CB 3.46Å; G806-K810 VanDerWaalsContact O-CG 3.26Å; G806-K810 WeakPolarHBondContact O-CG 3.35Å; G806-K810 PolarHBondContact O-N 3.35Å
807	N	87.1	Confident	80.4	Confident	85 Å²	85	57.9 Å²	57.9	46%	0.455	29%	0.288	S	S	.	.	H	α-helix	trans	-69	-38.4	174.8	-73.7	-14.8	0	0	0	112.2	H803 V804 I805 Y809 K810 T811	H803-N807 WeakPolarHBondContact O-CB 3.34Å; H803-N807 PolarHBondContact O-N 3.34Å; H803-N807 PolarHBondContact O-ND2 3.49Å; V804-N807 WeakPolarHBondContact O-CB 3.43Å; V804-N807 PolarHBondContact O-N 2.98Å; I805-N807 VanDerWaalsContact C-N 3.27Å; I805-N807 PolarHBondContact O-N 3.19Å; N807-Y809 VanDerWaalsContact C-N 3.33Å; N807-Y809 PolarHBondContact O-N 3.11Å; N807-K810 PolarHBondContact O-N 3.38Å; N807-T811 WeakPolarHBondContact O-CB 3.47Å; N807-T811 WeakPolarHBondContact O-CG2 3.47Å; N807-T811 PolarHBondContact O-N 3.01Å; N807-T811 PolarHBondContact O-OG1 3.34Å
808	I	87.6	Confident	79.8	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-57.7	-48.7	174.5	-70.4	165.1	0	0	0	110	V804 I805 T811 S812 I875 M884 R935 D937	V804-I808 HydrophobicContact CG1-CD1 4.16Å; V804-I808 WeakPolarHBondContact O-CG1 3.39Å; V804-I808 PolarHBondContact O-N 3.29Å; I805-I808 HydrophobicContact CD1-CD1 4.27Å; I805-I808 PolarHBondContact O-N 3.26Å; I808-T811 PolarHBondContact O-OG1 3.06Å; I808-S812 WeakPolarHBondContact O-CB 3.1Å; I808-S812 PolarHBondContact O-N 3.43Å; I808-S812 VanDerWaalsContact O-N 3.12Å; I808-S812 PolarHBondContact O-OG 3.04Å; I808-I875 HydrophobicContact CD1-CG2 4.42Å; I808-M884 HydrophobicContact CG2-CG 3.9Å; I808-M884 HydrophobicContact CG2-SD 4.13Å; I808-R935 PolarHBondContact O-NH1 3.02Å; I808-D937 HydrophobicContact CD1-CB 4.26Å; I808-D937 HydrophobicContact CG1-CB 4.39Å; I808-D937 WeakPolarHBondContact CG1-OD2 3.33Å
809	Y	84.8	Confident	79.6	Confident	14 Å²	14	57 Å²	57	6%	0.055	29%	0.286	C	S	.	.	H	α-helix	trans	-59.2	-55.6	175.8	178.2	-90.6	0	0	0	111.7	F331 R333 I805 N807 T811 S812 L813	F331-Y809 HydrophobicContact CE2-CE2 4.09Å; F331-Y809 AromaticContact CZ-CE2 3.89Å; F331-Y809 HydrophobicContact CZ-CE2 3.89Å; R333-Y809 HydrophobicContact CB-CE1 4.41Å; R333-Y809 VanDerWaalsContact CD-CE1 3.41Å; R333-Y809 HydrophobicContact CG-CE1 4.39Å; I805-Y809 PolarHBondContact O-N 3.46Å; I805-Y809 VanDerWaalsContact O-N 3.14Å; N807-Y809 VanDerWaalsContact C-N 3.33Å; N807-Y809 PolarHBondContact O-N 3.11Å; Y809-T811 VanDerWaalsContact C-N 3.33Å; Y809-T811 PolarHBondContact O-N 3.26Å; Y809-S812 PolarHBondContact O-N 3.4Å; Y809-L813 HydrophobicContact CD1-CD1 4.38Å; Y809-L813 HydrophobicContact CE1-CD1 3.79Å
810	K	83.4	Confident	79.6	Confident	97 Å²	97	55 Å²	55	42%	0.422	28%	0.28	S	S	.	.	H	α-helix	trans	-61	-38.1	-175.5	-72.8	172.5	-176.7	177	0	113.7	G806 N807	G806-K810 WeakPolarHBondContact O-CB 3.46Å; G806-K810 VanDerWaalsContact O-CG 3.26Å; G806-K810 WeakPolarHBondContact O-CG 3.35Å; G806-K810 PolarHBondContact O-N 3.35Å; N807-K810 PolarHBondContact O-N 3.38Å
811	T	79.8	Confident	79.2	Confident	45 Å²	45	60 Å²	60	28%	0.276	31%	0.309	S	S	.	.	H	α-helix	trans	-79.3	-24.7	-179	53.9	0	0	0	0	112.3	N807 I808 Y809 L813 K814 R825 R935	N807-T811 WeakPolarHBondContact O-CB 3.47Å; N807-T811 WeakPolarHBondContact O-CG2 3.47Å; N807-T811 PolarHBondContact O-N 3.01Å; N807-T811 PolarHBondContact O-OG1 3.34Å; I808-T811 PolarHBondContact O-OG1 3.06Å; Y809-T811 VanDerWaalsContact C-N 3.33Å; Y809-T811 PolarHBondContact O-N 3.26Å; T811-L813 PolarHBondContact O-N 2.88Å; T811-K814 CarbonylContact O-C 3.59Å; T811-K814 PolarHBondContact O-N 3.36Å; T811-K814 VanDerWaalsContact O-N 3.09Å; T811-R825 PolarHBondContact O-NH1 2.98Å; T811-R825 PolarHBondContact O-NH2 3.49Å; T811-R935 PolarHBondContact OG1-NH1 3Å; T811-R935 PolarHBondContact OG1-NH2 3.16Å; T811-R935 VanDerWaalsContact OG1-NH2 3.1Å
812	S	76.9	Confident	79	Confident	21 Å²	21	59 Å²	59	15%	0.147	31%	0.306	C	S	.	.	H	α-helix	trans	-68.7	-22.3	175.1	-56.4	0	0	0	0	112.2	I808 Y809 K814 S881 R935	I808-S812 WeakPolarHBondContact O-CB 3.1Å; I808-S812 PolarHBondContact O-N 3.43Å; I808-S812 VanDerWaalsContact O-N 3.12Å; I808-S812 PolarHBondContact O-OG 3.04Å; Y809-S812 PolarHBondContact O-N 3.4Å; S812-K814 VanDerWaalsContact C-N 3.33Å; S812-S881 VanDerWaalsContact CB-OG 3.23Å; S812-S881 WeakPolarHBondContact CB-OG 3.49Å; S812-S881 VanDerWaalsContact OG-CB 3.28Å; S812-S881 WeakPolarHBondContact OG-CB 3.16Å; S812-S881 PolarHBondContact OG-OG 3.44Å; S812-R935 PolarHBondContact OG-NH1 3.48Å; S812-R935 VanDerWaalsContact OG-NH1 3.14Å
813	L	67.3	Low	78.8	Confident	51 Å²	51	59.7 Å²	59.7	27%	0.267	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-16.1	171.6	-59.2	173.9	0	0	0	113.9	V355 Y809 T811	V355-L813 HydrophobicContact CG1-CD2 4.24Å; Y809-L813 HydrophobicContact CD1-CD1 4.38Å; Y809-L813 HydrophobicContact CE1-CD1 3.79Å; T811-L813 PolarHBondContact O-N 2.88Å
814	K	66.6	Low	78.8	Confident	151 Å²	151	55.6 Å²	55.6	66%	0.657	29%	0.292	S	S	*	.			trans	-123	121.9	-173.8	-61.2	-174.5	179.6	-172.4	0	110.7	T811 S812 R825	T811-K814 CarbonylContact O-C 3.59Å; T811-K814 PolarHBondContact O-N 3.36Å; T811-K814 VanDerWaalsContact O-N 3.09Å; S812-K814 VanDerWaalsContact C-N 3.33Å; K814-R825 PolarHBondContact O-NH1 3.23Å
815	V	60.9	Low	78.8	Confident	100 Å²	100	55.8 Å²	55.8	61%	0.606	29%	0.291	S	S	*	.			trans	-88.5	-6.9	-169.3	-175.3	0	0	0	0	113.6	K817	V815-K817 PolarHBondContact O-N 3.14Å
816	D	62.4	Low	78.6	Confident	146 Å²	146	56.3 Å²	56.3	78%	0.781	30%	0.296	S	S	*	.	S	Bend	trans	-85	-9.1	-155.4	-55.3	-27.6	0	0	0	116.8
817	K	69.8	Low	78.7	Confident	147 Å²	147	56.2 Å²	56.2	64%	0.639	30%	0.295	S	S	*	.			trans	-132.2	106.3	-178.2	-65.9	-170.9	-179.2	-175.4	0	112.3	V815 I819 T820	V815-K817 PolarHBondContact O-N 3.14Å; K817-I819 VanDerWaalsContact C-N 3.35Å; K817-T820 HydrophobicContact CB-CG2 4.11Å; K817-T820 HydrophobicContact CD-CG2 4.43Å
818	P	73.8	Confident	78.9	Confident	48 Å²	48	56.4 Å²	56.4	31%	0.312	29%	0.289	S	S	.	.	S	Bend	trans	-71.8	-27.5	179	27.6	-33.4	0	0	0	112.9	R825 I855	P818-R825 WeakPolarHBondContact O-CB 2.78Å; P818-R825 PolarHBondContact O-N 3.32Å; P818-I855 HydrophobicContact CG-CG1 4.11Å
819	I	76.1	Confident	79	Confident	25 Å²	25	58.1 Å²	58.1	13%	0.128	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	132.5	-179.7	-54.1	-174.6	0	0	0	110.1	K817 T823 I824 I855 L862 F865	K817-I819 VanDerWaalsContact C-N 3.35Å; I819-T823 WeakPolarHBondContact CA-O 3.33Å; I819-I824 HydrophobicContact CG1-CG2 4.36Å; I819-I824 HydrophobicContact CG2-CG1 4.42Å; I819-I855 HydrophobicContact CD1-CD1 3.3Å; I819-I855 HydrophobicContact CG1-CD1 3.88Å; I819-L862 HydrophobicContact CD1-CD2 3.75Å; I819-F865 HydrophobicContact CB-CB 4.39Å; I819-F865 HydrophobicContact CD1-CB 4.35Å; I819-F865 HydrophobicContact CG2-CB 3.66Å
820	T	77.7	Confident	79	Confident	55 Å²	55	58.9 Å²	58.9	34%	0.337	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	171.2	171.1	59.9	0	0	0	0	109.9	K817 G822 T823 S866	K817-T820 HydrophobicContact CB-CG2 4.11Å; K817-T820 HydrophobicContact CD-CG2 4.43Å; T820-G822 PolarHBondContact O-N 3.03Å; T820-T823 PolarHBondContact N-O 3.26Å; T820-T823 PolarHBondContact O-N 2.75Å; T820-T823 WeakPolarHBondContact OG1-CB 3.14Å; T820-S866 WeakPolarHBondContact O-CA 3.34Å
821	N	73.7	Confident	79.1	Confident	134 Å²	134	56.8 Å²	56.8	72%	0.717	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	116.4	173.2	-75.1	-0.4	0	0	0	110.3
822	G	82.4	Confident	79.4	Confident	7 Å²	7	57.2 Å²	57.2	7%	0.072	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	-3.6	-179.6	0	0	0	0	0	115.3	T820 S866 D937 R938	T820-G822 PolarHBondContact O-N 3.03Å; G822-S866 WeakPolarHBondContact CA-O 3.35Å; G822-S866 PolarHBondContact N-O 2.86Å; G822-D937 CarbonylContact O-C 3.51Å; G822-D937 WeakPolarHBondContact O-CA 2.9Å; G822-R938 PolarHBondContact O-N 2.96Å
823	T	86.9	Confident	79.7	Confident	19 Å²	19	61.2 Å²	61.2	12%	0.117	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	137.2	-170	-59.7	0	0	0	0	112.7	I819 T820 R825 V936 D937	I819-T823 WeakPolarHBondContact CA-O 3.33Å; T820-T823 PolarHBondContact N-O 3.26Å; T820-T823 PolarHBondContact O-N 2.75Å; T820-T823 WeakPolarHBondContact OG1-CB 3.14Å; T823-R825 HydrophobicContact CG2-CG 3.98Å; T823-V936 CarbonylContact C-O 3.54Å; T823-V936 VanDerWaalsContact CA-O 3.29Å; T823-V936 WeakPolarHBondContact CA-O 2.81Å; T823-D937 WeakPolarHBondContact CB-OD1 3.16Å; T823-D937 WeakPolarHBondContact CG2-OD1 3.04Å; T823-D937 PolarHBondContact OG1-OD1 2.84Å
824	I	89	Confident	80.2	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	128.1	171.5	-56.4	168.5	0	0	0	108.7	I819 L827 L851 L862 L868 L919 R935 V936	I819-I824 HydrophobicContact CG1-CG2 4.36Å; I819-I824 HydrophobicContact CG2-CG1 4.42Å; I824-L827 HydrophobicContact CB-CD1 4.22Å; I824-L827 HydrophobicContact CG2-CD1 3.85Å; I824-L827 HydrophobicContact CG2-CD2 3.88Å; I824-L827 HydrophobicContact CG2-CG 3.9Å; I824-L851 HydrophobicContact CG2-CD1 4.47Å; I824-L862 HydrophobicContact CD1-CB 4.16Å; I824-L868 HydrophobicContact CD1-CD1 3.88Å; I824-L868 HydrophobicContact CG1-CD1 4.11Å; I824-L919 HydrophobicContact CD1-CD2 4.29Å; I824-R935 CarbonylContact O-C 3.59Å; I824-R935 VanDerWaalsContact O-CA 3.27Å; I824-R935 WeakPolarHBondContact O-CA 3.35Å; I824-V936 PolarHBondContact N-O 3.3Å; I824-V936 PolarHBondContact O-N 2.96Å
825	R	87.9	Confident	80.2	Confident	24 Å²	24	55.8 Å²	55.8	9%	0.091	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	167.7	-176.5	-67.1	-178.2	66.2	-171.9	7.6	112.3	T811 K814 P818 T823 L827 L851 D879 R935	T811-R825 PolarHBondContact O-NH1 2.98Å; T811-R825 PolarHBondContact O-NH2 3.49Å; K814-R825 PolarHBondContact O-NH1 3.23Å; P818-R825 WeakPolarHBondContact O-CB 2.78Å; P818-R825 PolarHBondContact O-N 3.32Å; T823-R825 HydrophobicContact CG2-CG 3.98Å; R825-L827 VanDerWaalsContact C-N 3.33Å; R825-L827 PolarHBondContact O-N 3.01Å; R825-L851 WeakPolarHBondContact O-CD1 3.23Å; R825-D879 VanDerWaalsContact CB-OD1 3.26Å; R825-D879 WeakPolarHBondContact CB-OD1 3.34Å; R825-D879 WeakPolarHBondContact CG-OD1 3.36Å; R825-D879 IonicContact CZ-OD1 3.16Å; R825-D879 IonicContact NE-OD1 3.88Å; R825-D879 PolarHBondContact NE-OD1 3.1Å; R825-D879 IonicContact NH2-OD1 3.1Å; R825-R935 HydrophobicContact CG-CB 4.07Å
826	G	87.9	Confident	79.8	Confident	11 Å²	11	56.6 Å²	56.6	11%	0.113	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	64.1	34.5	176.3	0	0	0	0	0	113.7	H852 D879 F934	G826-H852 WeakPolarHBondContact O-CB 3.5Å; G826-H852 PolarHBondContact O-N 2.85Å; G826-D879 PolarHBondContact N-OD2 3.13Å; G826-F934 PolarHBondContact N-O 2.93Å
827	L	90.8	Very high	79	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	128.2	179.1	-70.5	167.7	0	0	0	110.4	I824 R825 F849 I850 L862 L919 L933 F934 V936	I824-L827 HydrophobicContact CB-CD1 4.22Å; I824-L827 HydrophobicContact CG2-CD1 3.85Å; I824-L827 HydrophobicContact CG2-CD2 3.88Å; I824-L827 HydrophobicContact CG2-CG 3.9Å; R825-L827 VanDerWaalsContact C-N 3.33Å; R825-L827 PolarHBondContact O-N 3.01Å; L827-F849 HydrophobicContact CB-CB 4.06Å; L827-F849 HydrophobicContact CB-CD1 3.99Å; L827-F849 HydrophobicContact CB-CG 4.33Å; L827-F849 HydrophobicContact CD2-CB 4.01Å; L827-F849 HydrophobicContact CG-CB 4.47Å; L827-I850 CarbonylContact C-O 3.5Å; L827-I850 WeakPolarHBondContact CA-O 3.06Å; L827-L862 HydrophobicContact CD2-CD1 4.25Å; L827-L919 HydrophobicContact CD1-CD2 3.8Å; L827-L933 CarbonylContact O-C 3.57Å; L827-L933 WeakPolarHBondContact O-CA 3.5Å; L827-F934 HydrophobicContact CB-CB 4.21Å; L827-F934 WeakPolarHBondContact CB-O 3.36Å; L827-F934 PolarHBondContact N-O 3.27Å; L827-F934 PolarHBondContact O-N 3.24Å; L827-V936 HydrophobicContact CD1-CB 4.12Å; L827-V936 HydrophobicContact CD1-CG2 3.48Å; L827-V936 VanDerWaalsContact CD1-CG2 3.48Å
828	R	90.8	Very high	77.6	Confident	90 Å²	90	48.5 Å²	48.5	34%	0.34	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	129.7	174.1	-168.8	176.6	-159.9	149	6.9	109.6	V830 F849 I850	R828-V830 PolarHBondContact O-N 3.3Å; R828-F849 CarbonylContact O-C 3.55Å; R828-F849 WeakPolarHBondContact O-CA 3.43Å; R828-I850 HydrophobicContact CB-CG2 4.12Å; R828-I850 PolarHBondContact N-O 2.98Å; R828-I850 PolarHBondContact O-N 2.97Å
829	L	90.1	Very high	76	Confident	36 Å²	36	49.7 Å²	49.7	19%	0.188	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	129.2	173.2	-177.8	67	0	0	0	109.7	F849 F927 F934	L829-F849 HydrophobicContact CB-CD1 4.2Å; L829-F849 HydrophobicContact CB-CE1 3.93Å; L829-F849 HydrophobicContact CD1-CD1 4.38Å; L829-F849 HydrophobicContact CD1-CE1 3.91Å; L829-F849 HydrophobicContact CD1-CE2 4.14Å; L829-F849 HydrophobicContact CD1-CZ 3.79Å; L829-F927 HydrophobicContact CD1-CD2 4.42Å; L829-F927 HydrophobicContact CD2-CB 4.24Å; L829-F934 HydrophobicContact CB-CE2 4.04Å
830	V	85.9	Confident	74.3	Confident	30 Å²	30	49.2 Å²	49.2	18%	0.182	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	-45.9	-175.9	-177.2	0	0	0	0	111.9	R828 W848 I850 F897 V900	R828-V830 PolarHBondContact O-N 3.3Å; V830-W848 PolarHBondContact N-O 3.26Å; V830-I850 HydrophobicContact CG2-CB 3.75Å; V830-I850 HydrophobicContact CG2-CG2 3.36Å; V830-F897 HydrophobicContact CG1-CZ 4.25Å; V830-V900 HydrophobicContact CG1-CG1 3.55Å
831	K	84.9	Confident	72.7	Confident	53 Å²	53	48.1 Å²	48.1	23%	0.23	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	145.7	-178	-175	173.9	-175.7	170.5	0	109.1	S847 W848 E899 V900	K831-S847 CarbonylContact O-C 3.58Å; K831-S847 WeakPolarHBondContact O-CA 3.37Å; K831-W848 HydrophobicContact CB-CE3 3.74Å; K831-W848 HydrophobicContact CB-CZ3 4.37Å; K831-W848 HydrophobicContact CD-CE3 4.11Å; K831-W848 HydrophobicContact CD-CZ3 4.06Å; K831-W848 HydrophobicContact CG-CE3 3.77Å; K831-W848 HydrophobicContact CG-CZ3 3.88Å; K831-W848 PolarHBondContact N-O 2.88Å; K831-W848 PolarHBondContact O-N 3.39Å; K831-E899 IonicContact NZ-OE2 4Å; K831-E899 PolarHBondContact NZ-OE2 2.68Å; K831-E899 VanDerWaalsContact NZ-OE2 3.11Å; K831-V900 HydrophobicContact CB-CG2 4.38Å; K831-V900 HydrophobicContact CD-CG2 3.88Å
832	T	86	Confident	71.5	Confident	54 Å²	54	41.9 Å²	41.9	33%	0.331	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	123.6	171.9	-56.7	0	0	0	0	107.4	I834 V845 Q846	T832-I834 HydrophobicContact CG2-CG1 4.43Å; T832-V845 HydrophobicContact CG2-CG1 3.29Å; T832-Q846 CarbonylContact C-O 3.45Å
833	K	83.6	Confident	70.1	Confident	105 Å²	105	41.5 Å²	41.5	46%	0.457	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	123.2	171.9	178.7	-178.1	179	-175.9	0	108.1	S835 Q846 W848	K833-S835 WeakPolarHBondContact CE-OG 3.22Å; K833-Q846 PolarHBondContact N-O 2.87Å; K833-Q846 PolarHBondContact O-N 3.19Å; K833-W848 HydrophobicContact CB-CH2 3.5Å; K833-W848 HydrophobicContact CB-CZ3 3.39Å; K833-W848 HydrophobicContact CD-CH2 4Å; K833-W848 HydrophobicContact CG-CH2 4.4Å
834	I	77.1	Confident	69.1	Low	52 Å²	52	43 Å²	43	27%	0.267	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	113.3	174.2	-55.5	177.1	0	0	0	106.4	T832 E844 V845	T832-I834 HydrophobicContact CG2-CG1 4.43Å; I834-E844 WeakPolarHBondContact CA-O 3.43Å; I834-V845 HydrophobicContact CG1-CG2 4.43Å
835	S	66.7	Low	68.7	Low	35 Å²	35	43 Å²	43	25%	0.245	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	125.4	176.8	-56.7	0	0	0	0	109.3	K833 S843 E844	K833-S835 WeakPolarHBondContact CE-OG 3.22Å; S835-S843 WeakPolarHBondContact O-CA 3.5Å; S835-E844 PolarHBondContact N-O 3.47Å; S835-E844 PolarHBondContact O-N 3.25Å; S835-E844 VanDerWaalsContact O-N 3.08Å
836	Q	53.1	Low	68.7	Low	118 Å²	118	43.2 Å²	43.2	55%	0.551	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	125.5	177.6	-64.1	175.3	1.5	0	0	109.8
837	S	44.3	Very low	68.9	Low	36 Å²	36	42.7 Å²	42.7	25%	0.252	23%	0.231	S	C	.	.			trans	-99.4	111.2	171.3	60.3	0	0	0	0	110.3	L839 S840 G841 E842	S837-L839 PolarHBondContact O-N 3.35Å; S837-L839 VanDerWaalsContact O-N 3.08Å; S837-S840 PolarHBondContact O-N 3.28Å; S837-S840 VanDerWaalsContact O-N 3.17Å; S837-S840 WeakPolarHBondContact OG-CB 3.34Å; S837-S840 PolarHBondContact OG-OG 3.12Å; S837-G841 PolarHBondContact O-N 2.91Å; S837-E842 PolarHBondContact N-O 3.49Å; S837-E842 PolarHBondContact OG-O 3.36Å
838	S	40.5	Very low	68.8	Low	86 Å²	86	42.9 Å²	42.9	60%	0.601	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-18.2	176.6	40.9	0	0	0	0	114
839	L	41	Very low	68.8	Low	73 Å²	73	38.6 Å²	38.6	38%	0.382	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-37.9	176.7	-78	144.4	0	0	0	113.9	S837 N1090 K1094	S837-L839 PolarHBondContact O-N 3.35Å; S837-L839 VanDerWaalsContact O-N 3.08Å; L839-N1090 HydrophobicContact CD2-CB 3.86Å; L839-K1094 HydrophobicContact CD2-CD 3.4Å; L839-K1094 VanDerWaalsContact CD2-CD 3.4Å; L839-K1094 HydrophobicContact CD2-CG 4.12Å; L839-K1094 HydrophobicContact CG-CD 4.03Å
840	S	39	Very low	68.6	Low	16 Å²	16	37.3 Å²	37.3	11%	0.112	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.7	-12.5	-157.9	101.5	0	0	0	0	109.8	L133 S837 E842	L133-S840 VanDerWaalsContact CB-CB 3.48Å; L133-S840 WeakPolarHBondContact CB-O 3.32Å; L133-S840 VanDerWaalsContact CD1-CA 3.41Å; L133-S840 WeakPolarHBondContact CD1-O 3.43Å; L133-S840 VanDerWaalsContact CD2-CB 3.47Å; L133-S840 WeakPolarHBondContact CG-O 3.37Å; S837-S840 PolarHBondContact O-N 3.28Å; S837-S840 VanDerWaalsContact O-N 3.17Å; S837-S840 WeakPolarHBondContact OG-CB 3.34Å; S837-S840 PolarHBondContact OG-OG 3.12Å; S840-E842 PolarHBondContact O-N 2.84Å; S840-E842 WeakPolarHBondContact OG-CA 3.45Å; S840-E842 WeakPolarHBondContact OG-CB 3.36Å; S840-E842 PolarHBondContact OG-N 3.17Å
841	G	45.5	Very low	68.4	Low	32 Å²	32	36.4 Å²	36.4	33%	0.33	20%	0.202	S	C	.	.			trans	56.1	9	-166.4	0	0	0	0	0	112.4	V129 S130 S837	V129-G841 CarbonylContact C-O 3.57Å; S130-G841 WeakPolarHBondContact CA-O 3.33Å; S130-G841 WeakPolarHBondContact CB-O 3.48Å; S130-G841 PolarHBondContact N-O 3Å; S130-G841 PolarHBondContact OG-O 2.84Å; S837-G841 PolarHBondContact O-N 2.91Å
842	E	47.2	Very low	68	Low	2 Å²	2	38.5 Å²	38.5	1%	0.009	21%	0.213	C	C	.	.			trans	-84.4	142.4	173.2	-71.7	-148.3	179.8	0	0	118.3	S130 A131 K132 L133 R134 R135 S837 S840	S130-E842 VanDerWaalsContact C-CA 3.44Å; S130-E842 CarbonylContact O-C 3.58Å; S130-E842 VanDerWaalsContact O-C 3.25Å; S130-E842 WeakPolarHBondContact O-CA 3.48Å; S130-E842 WeakPolarHBondContact O-CB 3.43Å; S130-E842 WeakPolarHBondContact O-CG 3.45Å; A131-E842 VanDerWaalsContact O-OE1 3.11Å; K132-E842 WeakPolarHBondContact CA-OE1 3.15Å; K132-E842 VanDerWaalsContact N-CG 3.33Å; K132-E842 PolarHBondContact N-OE1 2.88Å; L133-E842 VanDerWaalsContact CA-CG 3.46Å; L133-E842 WeakPolarHBondContact CA-OE1 3.43Å; L133-E842 HydrophobicContact CB-CB 4.42Å; L133-E842 HydrophobicContact CB-CG 3.57Å; L133-E842 PolarHBondContact N-OE1 2.79Å; R134-E842 WeakPolarHBondContact CA-OE2 3.3Å; R134-E842 WeakPolarHBondContact CB-OE2 3.2Å; R134-E842 WeakPolarHBondContact CG-OE2 3.33Å; R134-E842 PolarHBondContact N-OE1 3.48Å; R134-E842 PolarHBondContact N-OE2 3.14Å; R134-E842 IonicContact NE-OE2 3.49Å; R134-E842 PolarHBondContact NE-OE2 2.72Å; R135-E842 PolarHBondContact N-OE1 3.33Å; S837-E842 PolarHBondContact N-O 3.49Å; S837-E842 PolarHBondContact OG-O 3.36Å; S840-E842 PolarHBondContact O-N 2.84Å; S840-E842 WeakPolarHBondContact OG-CA 3.45Å; S840-E842 WeakPolarHBondContact OG-CB 3.36Å; S840-E842 PolarHBondContact OG-N 3.17Å
843	S	52.8	Low	67.2	Low	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	106.9	179.4	52.8	0	0	0	0	104.1	A127 S130 S835 V845	A127-S843 PolarHBondContact O-OG 2.83Å; S130-S843 VanDerWaalsContact C-N 3.3Å; S130-S843 VanDerWaalsContact CB-OG 3.31Å; S130-S843 WeakPolarHBondContact CB-OG 3.41Å; S130-S843 PolarHBondContact O-N 3.15Å; S130-S843 PolarHBondContact O-OG 3.46Å; S835-S843 WeakPolarHBondContact O-CA 3.5Å; S843-V845 PolarHBondContact O-N 3.29Å
844	E	67.5	Low	66.2	Low	49 Å²	49	41.5 Å²	41.5	23%	0.229	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	127	154.8	-149.4	148.1	-170	0	0	108.1	R134 I834 S835 I922	R134-E844 IonicContact CZ-OE1 2.87Å; R134-E844 IonicContact CZ-OE2 3.4Å; R134-E844 IonicContact NH1-OE1 2.94Å; R134-E844 PolarHBondContact NH1-OE1 3.19Å; R134-E844 IonicContact NH1-OE2 2.65Å; R134-E844 PolarHBondContact NH1-OE2 3.4Å; R134-E844 IonicContact NH2-OE1 3.6Å; R134-E844 IonicContact NH2-OE2 3.89Å; R134-E844 PolarHBondContact NH2-OE2 2.93Å; I834-E844 WeakPolarHBondContact CA-O 3.43Å; S835-E844 PolarHBondContact N-O 3.47Å; S835-E844 PolarHBondContact O-N 3.25Å; S835-E844 VanDerWaalsContact O-N 3.08Å; E844-I922 HydrophobicContact CG-CG1 4.28Å; E844-I922 HydrophobicContact CG-CG2 3.65Å; E844-I922 WeakPolarHBondContact OE1-CD1 3.28Å; E844-I922 WeakPolarHBondContact OE1-CG1 3.38Å; E844-I922 VanDerWaalsContact OE1-CG2 3.25Å; E844-I922 WeakPolarHBondContact OE1-CG2 3.43Å
845	V	80.2	Confident	65.6	Low	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	101	161.4	-172.8	0	0	0	0	107.2	T832 I834 S843 I922 S923	T832-V845 HydrophobicContact CG2-CG1 3.29Å; I834-V845 HydrophobicContact CG1-CG2 4.43Å; S843-V845 PolarHBondContact O-N 3.29Å; V845-I922 WeakPolarHBondContact O-CA 3.31Å; V845-S923 PolarHBondContact N-O 3.46Å; V845-S923 PolarHBondContact O-N 2.77Å; V845-S923 PolarHBondContact O-OG 3.33Å
846	Q	88.1	Confident	65.1	Low	30 Å²	30	46.7 Å²	46.7	14%	0.14	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	114.4	169.4	-170.7	174.9	9.9	0	0	108.1	T832 K833 W848 S920 L921	T832-Q846 CarbonylContact C-O 3.45Å; K833-Q846 PolarHBondContact N-O 2.87Å; K833-Q846 PolarHBondContact O-N 3.19Å; Q846-W848 HydrophobicContact CB-CH2 4.25Å; Q846-W848 VanDerWaalsContact CD-CZ2 3.43Å; Q846-W848 HydrophobicContact CG-CH2 3.94Å; Q846-W848 HydrophobicContact CG-CZ2 3.82Å; Q846-W848 HydrophobicContact CG-CZ3 4.39Å; Q846-W848 WeakPolarHBondContact O-CZ3 3.29Å; Q846-S920 WeakPolarHBondContact CG-OG 3.36Å; Q846-S920 PolarHBondContact NE2-OG 3.11Å; Q846-L921 CarbonylContact C-O 3.47Å; Q846-L921 WeakPolarHBondContact CA-O 3.01Å
847	S	90.9	Very high	65.3	Low	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	137.5	-179.7	-59.1	0	0	0	0	109.8	K831 S920 L921 F927	K831-S847 CarbonylContact O-C 3.58Å; K831-S847 WeakPolarHBondContact O-CA 3.37Å; S847-S920 CarbonylContact O-C 3.54Å; S847-S920 WeakPolarHBondContact O-CA 3.23Å; S847-L921 PolarHBondContact N-O 3.36Å; S847-L921 PolarHBondContact O-N 3.24Å; S847-F927 WeakPolarHBondContact OG-CE2 3.3Å
848	W	89.4	Confident	65.6	Low	4 Å²	4	51.3 Å²	51.3	2%	0.015	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	132.5	174.6	-65	-91.7	0	0	0	110.3	V830 K831 K833 Q846 F897 V918 L919	V830-W848 PolarHBondContact N-O 3.26Å; K831-W848 HydrophobicContact CB-CE3 3.74Å; K831-W848 HydrophobicContact CB-CZ3 4.37Å; K831-W848 HydrophobicContact CD-CE3 4.11Å; K831-W848 HydrophobicContact CD-CZ3 4.06Å; K831-W848 HydrophobicContact CG-CE3 3.77Å; K831-W848 HydrophobicContact CG-CZ3 3.88Å; K831-W848 PolarHBondContact N-O 2.88Å; K831-W848 PolarHBondContact O-N 3.39Å; K833-W848 HydrophobicContact CB-CH2 3.5Å; K833-W848 HydrophobicContact CB-CZ3 3.39Å; K833-W848 HydrophobicContact CD-CH2 4Å; K833-W848 HydrophobicContact CG-CH2 4.4Å; Q846-W848 HydrophobicContact CB-CH2 4.25Å; Q846-W848 VanDerWaalsContact CD-CZ2 3.43Å; Q846-W848 HydrophobicContact CG-CH2 3.94Å; Q846-W848 HydrophobicContact CG-CZ2 3.82Å; Q846-W848 HydrophobicContact CG-CZ3 4.39Å; Q846-W848 WeakPolarHBondContact O-CZ3 3.29Å; W848-F897 HydrophobicContact CB-CD2 3.85Å; W848-F897 HydrophobicContact CB-CE2 3.41Å; W848-F897 VanDerWaalsContact CB-CE2 3.41Å; W848-F897 AromaticContact CD1-CD2 3.33Å; W848-F897 AromaticContact CD1-CE2 3.86Å; W848-F897 HydrophobicContact CD2-CD2 4.02Å; W848-F897 HydrophobicContact CD2-CE2 4.32Å; W848-F897 AromaticContact CG-CD2 3.46Å; W848-F897 HydrophobicContact CG-CD2 3.46Å; W848-F897 VanDerWaalsContact CG-CD2 3.46Å; W848-F897 AromaticContact CG-CE2 3.58Å; W848-F897 HydrophobicContact CG-CE2 3.58Å; W848-F897 AromaticContact NE1-CD2 3.78Å; W848-V918 HydrophobicContact CB-CG1 4.47Å; W848-L919 WeakPolarHBondContact CA-O 3.44Å
849	F	89.8	Confident	66.5	Low	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	146.2	179.7	-64.3	-95.9	0	0	0	110.2	L827 R828 L829 V918 L919 L921 F927 F934	L827-F849 HydrophobicContact CB-CB 4.06Å; L827-F849 HydrophobicContact CB-CD1 3.99Å; L827-F849 HydrophobicContact CB-CG 4.33Å; L827-F849 HydrophobicContact CD2-CB 4.01Å; L827-F849 HydrophobicContact CG-CB 4.47Å; R828-F849 CarbonylContact O-C 3.55Å; R828-F849 WeakPolarHBondContact O-CA 3.43Å; L829-F849 HydrophobicContact CB-CD1 4.2Å; L829-F849 HydrophobicContact CB-CE1 3.93Å; L829-F849 HydrophobicContact CD1-CD1 4.38Å; L829-F849 HydrophobicContact CD1-CE1 3.91Å; L829-F849 HydrophobicContact CD1-CE2 4.14Å; L829-F849 HydrophobicContact CD1-CZ 3.79Å; F849-V918 CarbonylContact O-C 3.57Å; F849-V918 VanDerWaalsContact O-CA 3.27Å; F849-V918 WeakPolarHBondContact O-CA 3.39Å; F849-L919 HydrophobicContact CB-CB 4.42Å; F849-L919 PolarHBondContact N-O 3.22Å; F849-L919 PolarHBondContact O-N 3.26Å; F849-L921 HydrophobicContact CD2-CD1 3.98Å; F849-L921 HydrophobicContact CD2-CG 4.08Å; F849-L921 HydrophobicContact CE2-CB 4.12Å; F849-L921 HydrophobicContact CE2-CD1 3.56Å; F849-L921 HydrophobicContact CE2-CG 3.94Å; F849-L921 HydrophobicContact CZ-CD1 4.23Å; F849-F927 HydrophobicContact CE2-CD2 4.28Å; F849-F927 AromaticContact CE2-CE2 3.88Å; F849-F927 HydrophobicContact CE2-CE2 3.88Å; F849-F927 AromaticContact CZ-CD2 3.59Å; F849-F927 HydrophobicContact CZ-CD2 3.59Å; F849-F927 AromaticContact CZ-CE2 3.55Å; F849-F927 HydrophobicContact CZ-CE2 3.55Å; F849-F927 HydrophobicContact CZ-CG 4.23Å; F849-F927 HydrophobicContact CZ-CZ 4.15Å; F849-F934 HydrophobicContact CD1-CB 4.42Å; F849-F934 HydrophobicContact CD1-CD2 4.26Å; F849-F934 HydrophobicContact CE1-CB 4.04Å; F849-F934 HydrophobicContact CE1-CD1 4.44Å; F849-F934 AromaticContact CE1-CD2 3.69Å; F849-F934 HydrophobicContact CE1-CD2 3.69Å; F849-F934 HydrophobicContact CE1-CE2 4.24Å; F849-F934 AromaticContact CE1-CG 3.8Å; F849-F934 HydrophobicContact CE1-CG 3.8Å
850	I	86.4	Confident	67.3	Low	9 Å²	9	49 Å²	49	5%	0.046	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	143.2	168.2	-169	158	0	0	0	110.3	L827 R828 V830 H852 F902 V908 N917	L827-I850 CarbonylContact C-O 3.5Å; L827-I850 WeakPolarHBondContact CA-O 3.06Å; R828-I850 HydrophobicContact CB-CG2 4.12Å; R828-I850 PolarHBondContact N-O 2.98Å; R828-I850 PolarHBondContact O-N 2.97Å; V830-I850 HydrophobicContact CG2-CB 3.75Å; V830-I850 HydrophobicContact CG2-CG2 3.36Å; I850-H852 PolarHBondContact O-N 3.48Å; I850-F902 HydrophobicContact CD1-CD1 4.03Å; I850-F902 HydrophobicContact CD1-CE1 3.59Å; I850-V908 HydrophobicContact CD1-CG2 3.93Å; I850-N917 WeakPolarHBondContact CA-O 3.4Å; I850-N917 HydrophobicContact CG1-CB 4.35Å
851	L	82.7	Confident	68.6	Low	10 Å²	10	50 Å²	50	5%	0.052	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	124.9	170.8	-170.5	70	0	0	0	110.7	I824 R825 K853 I855 L862 N917	I824-L851 HydrophobicContact CG2-CD1 4.47Å; R825-L851 WeakPolarHBondContact O-CD1 3.23Å; L851-K853 WeakPolarHBondContact CD2-O 3.36Å; L851-K853 VanDerWaalsContact CG-O 3.25Å; L851-K853 WeakPolarHBondContact CG-O 3.37Å; L851-I855 HydrophobicContact CD2-CD1 3.48Å; L851-I855 VanDerWaalsContact CD2-CD1 3.48Å; L851-I855 HydrophobicContact CD2-CG1 3.73Å; L851-L862 HydrophobicContact CB-CD1 4.48Å; L851-L862 HydrophobicContact CB-CD2 4.14Å; L851-L862 HydrophobicContact CD2-CD2 3.86Å; L851-L862 HydrophobicContact CG-CD2 4.44Å; L851-N917 PolarHBondContact N-O 2.58Å
852	H	75.2	Confident	69.9	Low	97 Å²	97	48.6 Å²	48.6	45%	0.449	26%	0.256	S	S	.	.	S	Bend	trans	-73.7	-34.4	-175.6	-178.2	52.2	0	0	0	113.5	G826 I850 L933	G826-H852 WeakPolarHBondContact O-CB 3.5Å; G826-H852 PolarHBondContact O-N 2.85Å; I850-H852 PolarHBondContact O-N 3.48Å; H852-L933 HydrophobicContact CB-CD2 3.75Å
853	K	69.8	Low	71.2	Confident	128 Å²	128	50.2 Å²	50.2	56%	0.557	27%	0.265	S	S	*	.	S	Bend	trans	-109.3	132.3	177.2	-71	-173.7	177.8	-178.7	0	110.5	L851	L851-K853 WeakPolarHBondContact CD2-O 3.36Å; L851-K853 VanDerWaalsContact CG-O 3.25Å; L851-K853 WeakPolarHBondContact CG-O 3.37Å
854	S	62.1	Low	71.9	Confident	95 Å²	95	52.5 Å²	52.5	66%	0.664	28%	0.28	S	S	*	.			trans	-63.6	147.8	172.9	-168.9	0	0	0	0	110.9
855	I	64.4	Low	71.9	Confident	29 Å²	29	53.3 Å²	53.3	15%	0.149	28%	0.283	C	S	.	.			trans	-103.4	129.8	173.9	-64.2	165.1	0	0	0	107.1	P818 I819 L851 Q857 Y859 F865	P818-I855 HydrophobicContact CG-CG1 4.11Å; I819-I855 HydrophobicContact CD1-CD1 3.3Å; I819-I855 HydrophobicContact CG1-CD1 3.88Å; L851-I855 HydrophobicContact CD2-CD1 3.48Å; L851-I855 VanDerWaalsContact CD2-CD1 3.48Å; L851-I855 HydrophobicContact CD2-CG1 3.73Å; I855-Q857 HydrophobicContact CG2-CB 4.16Å; I855-Q857 PolarHBondContact O-N 3.47Å; I855-Y859 HydrophobicContact CB-CE1 3.83Å; I855-Y859 HydrophobicContact CD1-CE1 4.25Å; I855-Y859 HydrophobicContact CG2-CE1 4.25Å; I855-F865 HydrophobicContact CG2-CE2 4.48Å
856	D	56.8	Low	71.5	Confident	167 Å²	167	53.3 Å²	53.3	89%	0.893	28%	0.283	S	S	*	.	S	Bend	trans	-72.4	-16.2	-176.1	-62.4	-34.7	0	0	0	113.6
857	Q	57.9	Low	70.8	Confident	121 Å²	121	54.6 Å²	54.6	57%	0.565	30%	0.296	S	S	*	.	S	Bend	trans	-87.6	144.8	179.1	-63.1	-174.1	-9	0	0	111.8	I855 Y859 F865	I855-Q857 HydrophobicContact CG2-CB 4.16Å; I855-Q857 PolarHBondContact O-N 3.47Å; Q857-Y859 WeakPolarHBondContact O-CD1 3.22Å; Q857-F865 HydrophobicContact CB-CE2 4.44Å; Q857-F865 HydrophobicContact CB-CZ 3.89Å
858	P	49.5	Very low	70.2	Confident	129 Å²	129	54.7 Å²	54.7	84%	0.838	30%	0.296	S	S	*	.			trans	-71	136.3	175.1	27.3	-32.6	0	0	0	112.3
859	Y	60.9	Low	69.5	Low	25 Å²	25	59.3 Å²	59.3	10%	0.098	32%	0.321	C	S	.	.			trans	-143.7	156.1	175.3	50.8	-74	0	0	0	114.9	I855 Q857 S861 L862 F865 K916 N917	I855-Y859 HydrophobicContact CB-CE1 3.83Å; I855-Y859 HydrophobicContact CD1-CE1 4.25Å; I855-Y859 HydrophobicContact CG2-CE1 4.25Å; Q857-Y859 WeakPolarHBondContact O-CD1 3.22Å; Y859-S861 VanDerWaalsContact CD2-C 3.5Å; Y859-L862 HydrophobicContact CE2-CD2 4.13Å; Y859-F865 HydrophobicContact CD1-CD2 4.17Å; Y859-F865 AromaticContact CD1-CE2 3.64Å; Y859-F865 HydrophobicContact CD1-CE2 3.64Å; Y859-F865 AromaticContact CG-CD2 3.92Å; Y859-F865 HydrophobicContact CG-CD2 3.92Å; Y859-F865 AromaticContact CG-CE2 3.7Å; Y859-F865 HydrophobicContact CG-CE2 3.7Å; Y859-K916 HydrophobicContact CD2-CB 4.14Å; Y859-K916 HydrophobicContact CE2-CB 3.91Å; Y859-K916 WeakPolarHBondContact CE2-O 3.47Å; Y859-K916 VanDerWaalsContact O-CD 3.32Å; Y859-K916 WeakPolarHBondContact O-CD 3.33Å; Y859-K916 VanDerWaalsContact O-CE 3.29Å; Y859-K916 WeakPolarHBondContact O-CE 3.41Å; Y859-N917 WeakPolarHBondContact CE2-OD1 3.48Å; Y859-N917 VanDerWaalsContact CZ-OD1 3.31Å; Y859-N917 PolarHBondContact OH-OD1 3.43Å
860	E	57.1	Low	68.8	Low	87 Å²	87	63.7 Å²	63.7	41%	0.407	34%	0.344	S	S	.	.	S	Bend	trans	-77.9	-37.8	169.7	-73.6	-161.1	154.5	0	0	112.4	K916 K1370	E860-K916 WeakPolarHBondContact O-CG 3.46Å; E860-K1370 IonicContact OE1-NZ 3.34Å; E860-K1370 PolarHBondContact OE1-NZ 2.99Å; E860-K1370 IonicContact OE2-NZ 3.63Å; E860-K1370 PolarHBondContact OE2-NZ 2.83Å
861	S	67.4	Low	68.1	Low	37 Å²	37	64 Å²	64	26%	0.259	35%	0.35	S	S	.	.			trans	-162.8	161.5	179.6	66.1	0	0	0	0	112.9	Y859 L863 S864 K916	Y859-S861 VanDerWaalsContact CD2-C 3.5Å; S861-L863 PolarHBondContact O-N 3.32Å; S861-L863 VanDerWaalsContact O-N 3.16Å; S861-L863 PolarHBondContact OG-N 3.19Å; S861-S864 PolarHBondContact N-OG 2.99Å; S861-S864 PolarHBondContact O-N 3.02Å; S861-S864 PolarHBondContact O-OG 3.1Å; S861-S864 PolarHBondContact OG-N 3.31Å; S861-K916 CarbonylContact C-O 3.4Å
862	L	72	Confident	67.9	Low	2 Å²	2	64.8 Å²	64.8	1%	0.01	35%	0.353	C	S	.	.	H	α-helix	trans	-55.2	-29.5	170.7	-67	179.2	0	0	0	113.1	I819 I824 L827 L851 Y859 S866 K916 N917 L919	I819-L862 HydrophobicContact CD1-CD2 3.75Å; I824-L862 HydrophobicContact CD1-CB 4.16Å; L827-L862 HydrophobicContact CD2-CD1 4.25Å; L851-L862 HydrophobicContact CB-CD1 4.48Å; L851-L862 HydrophobicContact CB-CD2 4.14Å; L851-L862 HydrophobicContact CD2-CD2 3.86Å; L851-L862 HydrophobicContact CG-CD2 4.44Å; Y859-L862 HydrophobicContact CE2-CD2 4.13Å; L862-S866 PolarHBondContact O-OG 3.21Å; L862-K916 WeakPolarHBondContact CG-O 3.28Å; L862-K916 PolarHBondContact N-O 3.32Å; L862-N917 WeakPolarHBondContact CD1-O 3.49Å; L862-L919 HydrophobicContact CD1-CB 4.15Å
863	L	74.4	Confident	68.3	Low	35 Å²	35	63.1 Å²	63.1	18%	0.183	35%	0.345	C	S	.	.	H	α-helix	trans	-71.8	-34.7	-178.1	-64.7	-177.8	0	0	0	112.4	S861 F865 S866 S867 L868 I870 I891 L919	S861-L863 PolarHBondContact O-N 3.32Å; S861-L863 VanDerWaalsContact O-N 3.16Å; S861-L863 PolarHBondContact OG-N 3.19Å; L863-F865 VanDerWaalsContact C-N 3.33Å; L863-F865 PolarHBondContact O-N 3.33Å; L863-S866 WeakPolarHBondContact CA-OG 3.39Å; L863-S866 PolarHBondContact O-N 3.46Å; L863-S866 PolarHBondContact O-OG 3.29Å; L863-S867 PolarHBondContact O-N 3.36Å; L863-L868 WeakPolarHBondContact CB-O 3.19Å; L863-L868 HydrophobicContact CD2-CB 3.92Å; L863-I870 HydrophobicContact CD1-CG1 4.04Å; L863-I891 HydrophobicContact CD1-CG2 4.12Å; L863-I891 HydrophobicContact CD2-CD1 3.99Å; L863-I891 HydrophobicContact CD2-CG2 3.95Å; L863-L919 HydrophobicContact CD2-CD1 3.82Å
864	S	67.4	Low	69.4	Low	48 Å²	48	57 Å²	57	34%	0.336	32%	0.319	S	S	.	.	H	α-helix	trans	-65.5	-33.1	-178	47.4	0	0	0	0	113.5	S861	S861-S864 PolarHBondContact N-OG 2.99Å; S861-S864 PolarHBondContact O-N 3.02Å; S861-S864 PolarHBondContact O-OG 3.1Å; S861-S864 PolarHBondContact OG-N 3.31Å
865	F	67.2	Low	70.8	Confident	66 Å²	66	52.5 Å²	52.5	29%	0.289	29%	0.287	S	S	.	.	H	α-helix	trans	-81.8	-27.6	176.7	-86.1	-56.9	0	0	0	113.8	I819 I855 Q857 Y859 L863	I819-F865 HydrophobicContact CB-CB 4.39Å; I819-F865 HydrophobicContact CD1-CB 4.35Å; I819-F865 HydrophobicContact CG2-CB 3.66Å; I855-F865 HydrophobicContact CG2-CE2 4.48Å; Q857-F865 HydrophobicContact CB-CE2 4.44Å; Q857-F865 HydrophobicContact CB-CZ 3.89Å; Y859-F865 HydrophobicContact CD1-CD2 4.17Å; Y859-F865 AromaticContact CD1-CE2 3.64Å; Y859-F865 HydrophobicContact CD1-CE2 3.64Å; Y859-F865 AromaticContact CG-CD2 3.92Å; Y859-F865 HydrophobicContact CG-CD2 3.92Å; Y859-F865 AromaticContact CG-CE2 3.7Å; Y859-F865 HydrophobicContact CG-CE2 3.7Å; L863-F865 VanDerWaalsContact C-N 3.33Å; L863-F865 PolarHBondContact O-N 3.33Å
866	S	71.5	Confident	72.1	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-90.3	-4.2	-175.4	55.3	0	0	0	0	113.2	T820 G822 L862 L863 L868	T820-S866 WeakPolarHBondContact O-CA 3.34Å; G822-S866 WeakPolarHBondContact CA-O 3.35Å; G822-S866 PolarHBondContact N-O 2.86Å; L862-S866 PolarHBondContact O-OG 3.21Å; L863-S866 WeakPolarHBondContact CA-OG 3.39Å; L863-S866 PolarHBondContact O-N 3.46Å; L863-S866 PolarHBondContact O-OG 3.29Å; S866-L868 PolarHBondContact O-N 3.5Å; S866-L868 WeakPolarHBondContact OG-CB 3.18Å
867	S	74	Confident	73.8	Confident	58 Å²	58	43.1 Å²	43.1	41%	0.406	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	14.3	-170.6	69.6	0	0	0	0	114.5	L863	L863-S867 PolarHBondContact O-N 3.36Å
868	L	79	Confident	75.4	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	21%	0.211	C	C	.	.			trans	-84.5	145.2	172.8	-68.5	171	0	0	0	109.2	I824 L863 S866 V874 I891 R938	I824-L868 HydrophobicContact CD1-CD1 3.88Å; I824-L868 HydrophobicContact CG1-CD1 4.11Å; L863-L868 WeakPolarHBondContact CB-O 3.19Å; L863-L868 HydrophobicContact CD2-CB 3.92Å; S866-L868 PolarHBondContact O-N 3.5Å; S866-L868 WeakPolarHBondContact OG-CB 3.18Å; L868-V874 HydrophobicContact CD2-CG1 4.21Å; L868-I891 HydrophobicContact CB-CD1 3.64Å; L868-I891 HydrophobicContact CD1-CD1 3.97Å; L868-I891 HydrophobicContact CD2-CD1 4.19Å; L868-I891 HydrophobicContact CG-CD1 4.14Å; L868-R938 HydrophobicContact CD2-CB 3.85Å; L868-R938 HydrophobicContact CD2-CG 4.06Å
869	N	73.5	Confident	77.2	Confident	101 Å²	101	32.6 Å²	32.6	54%	0.54	18%	0.178	S	C	.	.			trans	-121.5	160.1	177.3	-61.5	-61.9	0	0	0	110.9	G871 D872	N869-G871 PolarHBondContact O-N 3.25Å; N869-D872 PolarHBondContact N-OD2 3.19Å; N869-D872 VanDerWaalsContact O-CB 3.32Å; N869-D872 WeakPolarHBondContact O-CB 2.92Å; N869-D872 PolarHBondContact O-N 3.28Å; N869-D872 VanDerWaalsContact O-N 3.07Å
870	I	75.1	Confident	78.2	Confident	93 Å²	93	34.8 Å²	34.8	48%	0.477	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	134	167.7	-63.4	164	0	0	0	108.3	L863 I891 P893	L863-I870 HydrophobicContact CD1-CG1 4.04Å; I870-I891 HydrophobicContact CG1-CG2 4.5Å; I870-P893 HydrophobicContact CD1-CB 4.09Å
871	G	71.3	Confident	79.2	Confident	16 Å²	16	31.8 Å²	31.8	17%	0.165	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.4	-11.3	-175.4	0	0	0	0	0	114.9	N869 I891	N869-G871 PolarHBondContact O-N 3.25Å; G871-I891 PolarHBondContact N-O 3.38Å
872	D	78.8	Confident	79.7	Confident	25 Å²	25	36.6 Å²	36.6	13%	0.134	19%	0.192	C	C	.	.			trans	-65.5	140.2	173.4	-79.7	-30.4	0	0	0	110.8	N869 T890 I891 R938	N869-D872 PolarHBondContact N-OD2 3.19Å; N869-D872 VanDerWaalsContact O-CB 3.32Å; N869-D872 WeakPolarHBondContact O-CB 2.92Å; N869-D872 PolarHBondContact O-N 3.28Å; N869-D872 VanDerWaalsContact O-N 3.07Å; D872-T890 WeakPolarHBondContact O-CA 3.28Å; D872-I891 HydrophobicContact CB-CD1 4.18Å; D872-I891 PolarHBondContact O-N 3.5Å; D872-R938 IonicContact OD1-CZ 2.7Å; D872-R938 IonicContact OD1-NH1 3.33Å; D872-R938 IonicContact OD1-NH2 3.62Å; D872-R938 PolarHBondContact OD1-NH2 3.2Å; D872-R938 IonicContact OD2-CZ 3.38Å; D872-R938 IonicContact OD2-NH1 3.67Å; D872-R938 PolarHBondContact OD2-NH1 2.82Å; D872-R938 IonicContact OD2-NH2 2.76Å
873	F	84.9	Confident	80.4	Confident	62 Å²	62	38.6 Å²	38.6	27%	0.272	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	141.8	171.4	-66.2	-80.2	0	0	0	110.2	A889 T890 Y939	F873-A889 WeakPolarHBondContact CA-O 3.23Å; F873-T890 WeakPolarHBondContact CD1-OG1 3.31Å; F873-T890 WeakPolarHBondContact CE1-OG1 3.49Å; F873-Y939 HydrophobicContact CB-CD1 4.15Å; F873-Y939 PolarHBondContact O-N 2.65Å
874	V	91.4	Very high	81	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	149	-175.6	-64.4	0	0	0	0	112.2	L868 A889 I891 L921 V936 D937	L868-V874 HydrophobicContact CD2-CG1 4.21Å; V874-A889 HydrophobicContact CG2-CB 4.06Å; V874-A889 WeakPolarHBondContact CG2-O 3.5Å; V874-A889 PolarHBondContact N-O 3.38Å; V874-A889 PolarHBondContact O-N 2.79Å; V874-I891 HydrophobicContact CG1-CD1 3.88Å; V874-I891 HydrophobicContact CG1-CG1 3.97Å; V874-I891 HydrophobicContact CG2-CG1 4.39Å; V874-L921 HydrophobicContact CG2-CD2 4.03Å; V874-V936 HydrophobicContact CB-CG1 3.35Å; V874-V936 HydrophobicContact CG1-CG1 3.55Å; V874-V936 HydrophobicContact CG2-CG1 3.45Å; V874-V936 VanDerWaalsContact CG2-CG1 3.45Å; V874-D937 CarbonylContact C-O 3.57Å; V874-D937 WeakPolarHBondContact CA-O 3.37Å; V874-D937 WeakPolarHBondContact CB-O 3.46Å
875	I	91.8	Very high	81.9	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	126.4	168.8	-66.4	152.5	0	0	0	107.7	W577 F801 V804 I808 L888 V936 D937 Y939	W577-I875 HydrophobicContact CH2-CG1 4.34Å; W577-I875 HydrophobicContact CH2-CG2 4.34Å; W577-I875 HydrophobicContact CZ3-CG1 4.41Å; W577-I875 HydrophobicContact CZ3-CG2 3.96Å; F801-I875 HydrophobicContact CD2-CD1 4.05Å; F801-I875 HydrophobicContact CE2-CD1 3.78Å; V804-I875 HydrophobicContact CG1-CD1 4.03Å; I808-I875 HydrophobicContact CD1-CG2 4.42Å; I875-L888 HydrophobicContact CB-CD2 4.47Å; I875-L888 HydrophobicContact CG1-CD2 3.68Å; I875-V936 WeakPolarHBondContact O-CA 3.46Å; I875-D937 PolarHBondContact N-O 3.44Å; I875-D937 PolarHBondContact O-N 3.37Å; I875-Y939 HydrophobicContact CD1-CD2 3.9Å; I875-Y939 HydrophobicContact CD1-CG 4.37Å; I875-Y939 HydrophobicContact CG1-CD2 4.21Å; I875-Y939 HydrophobicContact CG1-CG 4.26Å
876	V	92.8	Very high	82.9	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	123.6	172.6	-171.1	0	0	0	0	109	G885 I886 E887 A889 L921 F927 F934 R935 V936	V876-G885 CarbonylContact O-C 3.55Å; V876-I886 PolarHBondContact O-N 3.16Å; V876-E887 PolarHBondContact N-O 3.3Å; V876-A889 HydrophobicContact CG2-CB 3.88Å; V876-L921 HydrophobicContact CG2-CD1 3.77Å; V876-F927 HydrophobicContact CB-CE1 3.7Å; V876-F927 HydrophobicContact CB-CZ 4.28Å; V876-F927 HydrophobicContact CG1-CD1 4.04Å; V876-F927 HydrophobicContact CG1-CE1 3.51Å; V876-F927 HydrophobicContact CG1-CZ 4.13Å; V876-F927 HydrophobicContact CG2-CE1 3.88Å; V876-F927 HydrophobicContact CG2-CZ 3.95Å; V876-F934 HydrophobicContact CG1-CB 4.42Å; V876-F934 HydrophobicContact CG1-CD1 3.88Å; V876-R935 WeakPolarHBondContact CA-O 3.42Å; V876-V936 HydrophobicContact CG2-CG2 4.43Å
877	S	92.5	Very high	83.5	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	167.1	177.9	-56.6	0	0	0	0	110.2	F883 G885 F934 R935	S877-F883 CarbonylContact C-O 3.59Å; S877-F883 WeakPolarHBondContact CA-O 3.49Å; S877-F883 WeakPolarHBondContact CB-O 3.48Å; S877-G885 PolarHBondContact OG-N 2.88Å; S877-F934 CarbonylContact O-C 3.59Å; S877-F934 VanDerWaalsContact O-CA 3.31Å; S877-F934 WeakPolarHBondContact O-CA 3.37Å; S877-R935 PolarHBondContact N-O 3.47Å; S877-R935 PolarHBondContact O-N 2.87Å
878	S	90.5	Very high	84.2	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.014	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	144.5	163.9	67	0	0	0	0	109.8	D880 S881 R882 F883 R935	S878-D880 WeakPolarHBondContact CB-OD1 3.33Å; S878-D880 PolarHBondContact O-N 2.81Å; S878-D880 PolarHBondContact OG-OD1 2.94Å; S878-S881 PolarHBondContact O-N 3.43Å; S878-R882 PolarHBondContact OG-N 3.16Å; S878-F883 PolarHBondContact N-O 3.38Å; S878-F883 PolarHBondContact OG-N 3.04Å; S878-R935 WeakPolarHBondContact O-CD 3.42Å
879	D	88.2	Confident	84.6	Confident	26 Å²	26	35.3 Å²	35.3	14%	0.139	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-22.7	-176	-166.9	31.4	0	0	0	113.2	R825 G826 L933	R825-D879 VanDerWaalsContact CB-OD1 3.26Å; R825-D879 WeakPolarHBondContact CB-OD1 3.34Å; R825-D879 WeakPolarHBondContact CG-OD1 3.36Å; R825-D879 IonicContact CZ-OD1 3.16Å; R825-D879 IonicContact NE-OD1 3.88Å; R825-D879 PolarHBondContact NE-OD1 3.1Å; R825-D879 IonicContact NH2-OD1 3.1Å; G826-D879 PolarHBondContact N-OD2 3.13Å; D879-L933 HydrophobicContact CB-CB 3.89Å; D879-L933 PolarHBondContact N-O 3.35Å
880	D	82.5	Confident	85.3	Confident	71 Å²	71	32 Å²	32	38%	0.38	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	4.3	176.2	68.1	-2.8	0	0	0	114	S878 R882	S878-D880 WeakPolarHBondContact CB-OD1 3.33Å; S878-D880 PolarHBondContact O-N 2.81Å; S878-D880 PolarHBondContact OG-OD1 2.94Å; D880-R882 HydrophobicContact CB-CG 4.48Å; D880-R882 PolarHBondContact O-N 3.42Å; D880-R882 VanDerWaalsContact O-N 3.09Å; D880-R882 WeakPolarHBondContact OD1-CB 3.32Å; D880-R882 PolarHBondContact OD1-N 3.2Å; D880-R882 WeakPolarHBondContact OD2-CD 3.43Å; D880-R882 VanDerWaalsContact OD2-CG 3.31Å; D880-R882 WeakPolarHBondContact OD2-CG 3.47Å; D880-R882 IonicContact OD2-CZ 3.62Å; D880-R882 IonicContact OD2-NE 2.72Å; D880-R882 PolarHBondContact OD2-NE 3.12Å
881	S	77.7	Confident	85.8	Confident	24 Å²	24	27.7 Å²	27.7	17%	0.168	14%	0.139	C	C	.	.	S	Bend	trans	58.3	8.6	-175.1	64	0	0	0	0	117.2	S812 S878 F883	S812-S881 VanDerWaalsContact CB-OG 3.23Å; S812-S881 WeakPolarHBondContact CB-OG 3.49Å; S812-S881 VanDerWaalsContact OG-CB 3.28Å; S812-S881 WeakPolarHBondContact OG-CB 3.16Å; S812-S881 PolarHBondContact OG-OG 3.44Å; S878-S881 PolarHBondContact O-N 3.43Å; S881-F883 VanDerWaalsContact C-N 3.27Å; S881-F883 PolarHBondContact O-N 3.47Å
882	R	77.6	Confident	86.4	Confident	139 Å²	139	27.1 Å²	27.1	53%	0.525	13%	0.133	S	C	.	.	S	Bend	trans	-63.3	-36.3	174.3	-67.8	-176.3	-164.9	-177.9	5.3	112.2	S878 D880	S878-R882 PolarHBondContact OG-N 3.16Å; D880-R882 HydrophobicContact CB-CG 4.48Å; D880-R882 PolarHBondContact O-N 3.42Å; D880-R882 VanDerWaalsContact O-N 3.09Å; D880-R882 WeakPolarHBondContact OD1-CB 3.32Å; D880-R882 PolarHBondContact OD1-N 3.2Å; D880-R882 WeakPolarHBondContact OD2-CD 3.43Å; D880-R882 VanDerWaalsContact OD2-CG 3.31Å; D880-R882 WeakPolarHBondContact OD2-CG 3.47Å; D880-R882 IonicContact OD2-CZ 3.62Å; D880-R882 IonicContact OD2-NE 2.72Å; D880-R882 PolarHBondContact OD2-NE 3.12Å
883	F	85.8	Confident	86.3	Confident	43 Å²	43	28.3 Å²	28.3	19%	0.189	14%	0.142	C	C	.	.	S	Bend	trans	-120.1	88.6	178.4	-54.7	-76.1	0	0	0	108.9	F637 S877 S878 S881 I886 I931	F637-F883 AromaticContact CD2-CD1 3.88Å; F637-F883 HydrophobicContact CD2-CD1 3.88Å; F637-F883 HydrophobicContact CD2-CE1 4.13Å; F637-F883 AromaticContact CE2-CD1 3.72Å; F637-F883 HydrophobicContact CE2-CD1 3.72Å; F637-F883 HydrophobicContact CE2-CE1 4.18Å; S877-F883 CarbonylContact C-O 3.59Å; S877-F883 WeakPolarHBondContact CA-O 3.49Å; S877-F883 WeakPolarHBondContact CB-O 3.48Å; S878-F883 PolarHBondContact N-O 3.38Å; S878-F883 PolarHBondContact OG-N 3.04Å; S881-F883 VanDerWaalsContact C-N 3.27Å; S881-F883 PolarHBondContact O-N 3.47Å; F883-I886 HydrophobicContact CB-CD1 4.06Å; F883-I886 HydrophobicContact CB-CG1 3.83Å; F883-I931 HydrophobicContact CB-CD1 3.82Å; F883-I931 HydrophobicContact CD2-CD1 3.67Å; F883-I931 HydrophobicContact CD2-CG1 3.85Å; F883-I931 HydrophobicContact CE2-CD1 4.42Å; F883-I931 HydrophobicContact CE2-CG1 4.2Å; F883-I931 HydrophobicContact CG-CD1 3.81Å; F883-I931 HydrophobicContact CG-CG1 4.46Å
884	M	87.8	Confident	85.9	Confident	16 Å²	16	27.5 Å²	27.5	8%	0.079	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-82.9	140.3	175.4	-75.3	171.7	-68.1	0	0	111.2	N579 I808 I886	N579-M884 HydrophobicContact CB-CE 3.22Å; N579-M884 HydrophobicContact CB-SD 3.9Å; I808-M884 HydrophobicContact CG2-CG 3.9Å; I808-M884 HydrophobicContact CG2-SD 4.13Å; M884-I886 PolarHBondContact O-N 2.87Å
885	G	86.6	Confident	84.8	Confident	1 Å²	1	33 Å²	33	1%	0.01	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	46.5	173.5	0	0	0	0	0	114.3	W577 V876 S877 E887	W577-G885 VanDerWaalsContact CE3-CA 3.42Å; W577-G885 VanDerWaalsContact CZ3-CA 3.45Å; V876-G885 CarbonylContact O-C 3.55Å; S877-G885 PolarHBondContact OG-N 2.88Å; G885-E887 PolarHBondContact O-N 2.97Å
886	I	86.9	Confident	83.4	Confident	28 Å²	28	35.6 Å²	35.6	14%	0.144	19%	0.194	C	C	.	.	S	Bend	trans	-54.4	-44.6	176.2	-60.8	154.9	0	0	0	109.5	V876 F883 M884 F927 P928 I931 F934	V876-I886 PolarHBondContact O-N 3.16Å; F883-I886 HydrophobicContact CB-CD1 4.06Å; F883-I886 HydrophobicContact CB-CG1 3.83Å; M884-I886 PolarHBondContact O-N 2.87Å; I886-F927 HydrophobicContact CG2-CD1 4.35Å; I886-P928 HydrophobicContact CG2-CG 4.28Å; I886-I931 HydrophobicContact CD1-CD1 3.32Å; I886-I931 HydrophobicContact CG1-CD1 3.98Å; I886-F934 HydrophobicContact CD1-CD1 4.16Å; I886-F934 HydrophobicContact CD1-CE1 4.05Å
887	E	85.5	Confident	81.8	Confident	17 Å²	17	36 Å²	36	8%	0.079	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	155	180	-169.4	56.4	-160.1	0	0	110.3	V876 G885 T924 F927	V876-E887 PolarHBondContact N-O 3.3Å; G885-E887 PolarHBondContact O-N 2.97Å; E887-T924 PolarHBondContact OE1-OG1 3.29Å; E887-F927 HydrophobicContact CB-CE1 3.88Å
888	L	87.2	Confident	80.2	Confident	74 Å²	74	42.3 Å²	42.3	39%	0.387	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	136.3	166.8	-66.1	175.2	0	0	0	109.1	W577 I875 Y939	W577-L888 HydrophobicContact CH2-CD2 4.29Å; I875-L888 HydrophobicContact CB-CD2 4.47Å; I875-L888 HydrophobicContact CG1-CD2 3.68Å; L888-Y939 HydrophobicContact CD2-CD1 4.29Å; L888-Y939 HydrophobicContact CD2-CG 4.41Å
889	A	89	Confident	78.3	Confident	4 Å²	4	49.9 Å²	49.9	3%	0.033	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	165.4	-179.6	0	0	0	0	0	112	F873 V874 V876 L921 I922	F873-A889 WeakPolarHBondContact CA-O 3.23Å; V874-A889 HydrophobicContact CG2-CB 4.06Å; V874-A889 WeakPolarHBondContact CG2-O 3.5Å; V874-A889 PolarHBondContact N-O 3.38Å; V874-A889 PolarHBondContact O-N 2.79Å; V876-A889 HydrophobicContact CG2-CB 3.88Å; A889-L921 HydrophobicContact CB-CB 4.06Å; A889-L921 HydrophobicContact CB-CD1 4.23Å; A889-I922 CarbonylContact C-O 3.47Å; A889-I922 VanDerWaalsContact CA-O 3.25Å; A889-I922 WeakPolarHBondContact CA-O 3.39Å; A889-I922 WeakPolarHBondContact CB-O 3.46Å
890	T	86.5	Confident	76.7	Confident	31 Å²	31	50 Å²	50	19%	0.19	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	136.5	171.7	-57.4	0	0	0	0	109.6	D872 F873 A892 L921 I922	D872-T890 WeakPolarHBondContact O-CA 3.28Å; F873-T890 WeakPolarHBondContact CD1-OG1 3.31Å; F873-T890 WeakPolarHBondContact CE1-OG1 3.49Å; T890-A892 PolarHBondContact O-N 3.21Å; T890-L921 WeakPolarHBondContact O-CA 3.26Å; T890-I922 PolarHBondContact N-O 3.09Å; T890-I922 PolarHBondContact O-N 3.41Å
891	I	86.4	Confident	75.2	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	125.4	175.6	-60	-179.8	0	0	0	109.3	L863 L868 I870 G871 D872 V874 L919 L921	L863-I891 HydrophobicContact CD1-CG2 4.12Å; L863-I891 HydrophobicContact CD2-CD1 3.99Å; L863-I891 HydrophobicContact CD2-CG2 3.95Å; L868-I891 HydrophobicContact CB-CD1 3.64Å; L868-I891 HydrophobicContact CD1-CD1 3.97Å; L868-I891 HydrophobicContact CD2-CD1 4.19Å; L868-I891 HydrophobicContact CG-CD1 4.14Å; I870-I891 HydrophobicContact CG1-CG2 4.5Å; G871-I891 PolarHBondContact N-O 3.38Å; D872-I891 HydrophobicContact CB-CD1 4.18Å; D872-I891 PolarHBondContact O-N 3.5Å; V874-I891 HydrophobicContact CG1-CD1 3.88Å; V874-I891 HydrophobicContact CG1-CG1 3.97Å; V874-I891 HydrophobicContact CG2-CG1 4.39Å; I891-L919 HydrophobicContact CG2-CD1 4.07Å; I891-L921 HydrophobicContact CG1-CD2 4.06Å
892	A	83.5	Confident	74.1	Confident	4 Å²	4	53.2 Å²	53.2	3%	0.033	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	155.9	-178.4	0	0	0	0	0	111.1	T890 S920 I922	T890-A892 PolarHBondContact O-N 3.21Å; A892-S920 PolarHBondContact N-O 3.05Å; A892-I922 HydrophobicContact CB-CD1 3.5Å; A892-I922 VanDerWaalsContact CB-CD1 3.5Å; A892-I922 HydrophobicContact CB-CG1 3.74Å
893	P	78.3	Confident	72.8	Confident	50 Å²	50	52.9 Å²	52.9	33%	0.325	29%	0.289	S	S	.	.			trans	-62.8	142.3	169.3	28.6	-33.7	0	0	0	110.4	I870 E895	I870-P893 HydrophobicContact CD1-CB 4.09Å; P893-E895 VanDerWaalsContact C-N 3.31Å; P893-E895 HydrophobicContact CB-CG 4.19Å; P893-E895 HydrophobicContact CG-CG 4.38Å; P893-E895 PolarHBondContact O-N 3.42Å
894	V	75.6	Confident	71.2	Confident	46 Å²	46	54.9 Å²	54.9	28%	0.279	31%	0.309	S	S	.	.			trans	-77.7	83.2	176.6	-175.5	0	0	0	0	109.3	F897 V918	V894-F897 HydrophobicContact CG1-CB 4.23Å; V894-V918 HydrophobicContact CG1-CB 4.37Å; V894-V918 HydrophobicContact CG1-CG1 3.82Å; V894-V918 HydrophobicContact CG2-CG1 4.3Å
895	E	69.4	Low	69.4	Low	116 Å²	116	57.7 Å²	57.7	54%	0.542	32%	0.321	S	S	.	.			trans	-112.5	150.7	176.1	-64.4	-176.8	178.4	0	0	111	P893 F897	P893-E895 VanDerWaalsContact C-N 3.31Å; P893-E895 HydrophobicContact CB-CG 4.19Å; P893-E895 HydrophobicContact CG-CG 4.38Å; P893-E895 PolarHBondContact O-N 3.42Å; E895-F897 VanDerWaalsContact C-N 3.33Å; E895-F897 PolarHBondContact O-N 3.35Å
896	G	60.7	Low	67.6	Low	53 Å²	53	60.1 Å²	60.1	55%	0.546	35%	0.346	S	S	.	.	S	Bend	trans	74.4	9.9	174.4	0	0	0	0	0	116.8	H898	G896-H898 PolarHBondContact O-N 2.95Å; G896-H898 VanDerWaalsContact O-N 3.12Å
897	F	59.5	Low	65.7	Low	8 Å²	8	65 Å²	65	4%	0.035	38%	0.383	C	S	.	.			trans	-78.3	16.1	-176.5	-156.1	-93.1	0	0	0	114.8	V830 W848 V894 E895 E899 V900 F902 Y914 V918	V830-F897 HydrophobicContact CG1-CZ 4.25Å; W848-F897 HydrophobicContact CB-CD2 3.85Å; W848-F897 HydrophobicContact CB-CE2 3.41Å; W848-F897 VanDerWaalsContact CB-CE2 3.41Å; W848-F897 AromaticContact CD1-CD2 3.33Å; W848-F897 AromaticContact CD1-CE2 3.86Å; W848-F897 HydrophobicContact CD2-CD2 4.02Å; W848-F897 HydrophobicContact CD2-CE2 4.32Å; W848-F897 AromaticContact CG-CD2 3.46Å; W848-F897 HydrophobicContact CG-CD2 3.46Å; W848-F897 VanDerWaalsContact CG-CD2 3.46Å; W848-F897 AromaticContact CG-CE2 3.58Å; W848-F897 HydrophobicContact CG-CE2 3.58Å; W848-F897 AromaticContact NE1-CD2 3.78Å; V894-F897 HydrophobicContact CG1-CB 4.23Å; E895-F897 VanDerWaalsContact C-N 3.33Å; E895-F897 PolarHBondContact O-N 3.35Å; F897-E899 VanDerWaalsContact C-N 3.26Å; F897-E899 PolarHBondContact O-N 2.9Å; F897-V900 HydrophobicContact CD2-CG2 4.42Å; F897-V900 HydrophobicContact CE1-CB 3.84Å; F897-V900 HydrophobicContact CE1-CG1 4.47Å; F897-V900 HydrophobicContact CE1-CG2 3.95Å; F897-V900 HydrophobicContact CE2-CG2 3.9Å; F897-V900 HydrophobicContact CZ-CB 3.86Å; F897-V900 HydrophobicContact CZ-CG1 4.2Å; F897-V900 HydrophobicContact CZ-CG2 3.65Å; F897-F902 HydrophobicContact CD1-CZ 4.15Å; F897-F902 AromaticContact CE1-CE1 3.92Å; F897-F902 HydrophobicContact CE1-CE1 3.92Å; F897-F902 AromaticContact CE1-CE2 3.82Å; F897-F902 HydrophobicContact CE1-CE2 3.82Å; F897-F902 AromaticContact CE1-CZ 3.22Å; F897-F902 HydrophobicContact CE1-CZ 3.22Å; F897-F902 HydrophobicContact CZ-CE1 4.22Å; F897-F902 AromaticContact CZ-CZ 3.95Å; F897-F902 HydrophobicContact CZ-CZ 3.95Å; F897-Y914 HydrophobicContact CB-CE2 4.45Å; F897-Y914 AromaticContact CD1-CD2 3.81Å; F897-Y914 HydrophobicContact CD1-CD2 3.81Å; F897-Y914 AromaticContact CD1-CE2 3.59Å; F897-Y914 HydrophobicContact CD1-CE2 3.59Å; F897-Y914 HydrophobicContact CE1-CD2 4.22Å; F897-Y914 HydrophobicContact CE1-CE2 4.42Å; F897-Y914 HydrophobicContact CG-CE2 4.41Å; F897-V918 HydrophobicContact CD2-CG1 4.25Å; F897-V918 HydrophobicContact CE1-CG2 4.27Å; F897-V918 HydrophobicContact CE2-CG1 4.21Å; F897-V918 HydrophobicContact CZ-CG2 4.31Å
898	H	58.3	Low	63.9	Low	134 Å²	134	66.7 Å²	66.7	62%	0.62	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-7.4	-170.6	-70.9	-64.1	0	0	0	115.6	G896	G896-H898 PolarHBondContact O-N 2.95Å; G896-H898 VanDerWaalsContact O-N 3.12Å
899	E	51	Low	61.7	Low	160 Å²	160	67.5 Å²	67.5	75%	0.748	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.2	9.7	-167.2	-70.7	177.2	162.9	0	0	115.5	K831 F897	K831-E899 IonicContact NZ-OE2 4Å; K831-E899 PolarHBondContact NZ-OE2 2.68Å; K831-E899 VanDerWaalsContact NZ-OE2 3.11Å; F897-E899 VanDerWaalsContact C-N 3.26Å; F897-E899 PolarHBondContact O-N 2.9Å
900	V	54.3	Low	59.6	Low	29 Å²	29	71.6 Å²	71.6	18%	0.176	43%	0.433	C	S	.	.			trans	-99.9	115.5	-176.5	-175.2	0	0	0	0	110.7	V830 K831 F897 F902	V830-V900 HydrophobicContact CG1-CG1 3.55Å; K831-V900 HydrophobicContact CB-CG2 4.38Å; K831-V900 HydrophobicContact CD-CG2 3.88Å; F897-V900 HydrophobicContact CD2-CG2 4.42Å; F897-V900 HydrophobicContact CE1-CB 3.84Å; F897-V900 HydrophobicContact CE1-CG1 4.47Å; F897-V900 HydrophobicContact CE1-CG2 3.95Å; F897-V900 HydrophobicContact CE2-CG2 3.9Å; F897-V900 HydrophobicContact CZ-CB 3.86Å; F897-V900 HydrophobicContact CZ-CG1 4.2Å; F897-V900 HydrophobicContact CZ-CG2 3.65Å; V900-F902 PolarHBondContact O-N 3.12Å
901	D	51.9	Low	57.7	Low	131 Å²	131	77 Å²	77	70%	0.701	46%	0.459	S	S	*	.			trans	-71.4	114	167.9	-90.3	-27.2	0	0	0	110.1	T903	D901-T903 VanDerWaalsContact C-N 3.32Å
902	F	54.4	Low	56	Low	32 Å²	32	81.5 Å²	81.5	14%	0.14	49%	0.491	C	S	.	.	G	3₁₀ helix	trans	-83.1	-6.3	179.2	-71.6	-75.9	0	0	0	114.1	I850 F897 V900 S904 H905 Y914 V918	I850-F902 HydrophobicContact CD1-CD1 4.03Å; I850-F902 HydrophobicContact CD1-CE1 3.59Å; F897-F902 HydrophobicContact CD1-CZ 4.15Å; F897-F902 AromaticContact CE1-CE1 3.92Å; F897-F902 HydrophobicContact CE1-CE1 3.92Å; F897-F902 AromaticContact CE1-CE2 3.82Å; F897-F902 HydrophobicContact CE1-CE2 3.82Å; F897-F902 AromaticContact CE1-CZ 3.22Å; F897-F902 HydrophobicContact CE1-CZ 3.22Å; F897-F902 HydrophobicContact CZ-CE1 4.22Å; F897-F902 AromaticContact CZ-CZ 3.95Å; F897-F902 HydrophobicContact CZ-CZ 3.95Å; V900-F902 PolarHBondContact O-N 3.12Å; F902-S904 PolarHBondContact O-N 3.38Å; F902-S904 VanDerWaalsContact O-N 3.09Å; F902-H905 PolarHBondContact O-N 2.71Å; F902-H905 VanDerWaalsContact O-N 3.09Å; F902-Y914 HydrophobicContact CE2-CD1 4.32Å; F902-Y914 AromaticContact CE2-CD2 3.96Å; F902-Y914 HydrophobicContact CE2-CD2 3.96Å; F902-Y914 AromaticContact CE2-CG 3.71Å; F902-Y914 HydrophobicContact CE2-CG 3.71Å; F902-Y914 AromaticContact CZ-CD2 3.88Å; F902-Y914 HydrophobicContact CZ-CD2 3.88Å; F902-Y914 AromaticContact CZ-CG 3.92Å; F902-Y914 HydrophobicContact CZ-CG 3.92Å; F902-V918 HydrophobicContact CZ-CG2 4.49Å
903	T	50.9	Low	54.8	Low	132 Å²	132	84.4 Å²	84.4	81%	0.81	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-60.2	-23.6	-175.4	50.7	0	0	0	0	113	D901	D901-T903 VanDerWaalsContact C-N 3.32Å
904	S	52.3	Low	54	Low	85 Å²	85	83.3 Å²	83.3	59%	0.594	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-85.9	-10.4	179.1	57.1	0	0	0	0	115.2	F902	F902-S904 PolarHBondContact O-N 3.38Å; F902-S904 VanDerWaalsContact O-N 3.09Å
905	H	50.1	Low	53.4	Low	74 Å²	74	86.6 Å²	86.6	34%	0.343	51%	0.506	S	S	.	.	S	Bend	trans	-114.3	15	-164.4	-70.4	-54.3	0	0	0	116.5	F902	F902-H905 PolarHBondContact O-N 2.71Å; F902-H905 VanDerWaalsContact O-N 3.09Å
906	G	49	Very low	53.4	Low	52 Å²	52	84.4 Å²	84.4	54%	0.536	50%	0.495	S	S	.	.			trans	89.1	164.3	176.4	0	0	0	0	0	113.1	V908	G906-V908 PolarHBondContact O-N 2.85Å
907	S	45.6	Very low	54.2	Low	130 Å²	130	83 Å²	83	91%	0.909	48%	0.475	S	S	*	.			trans	-55.9	81.8	-165.4	56.6	0	0	0	0	115.2
908	V	47.7	Very low	55.4	Low	53 Å²	53	83 Å²	83	32%	0.321	48%	0.475	S	S	.	.			trans	-100	110	161.8	-174.3	0	0	0	0	106.3	I850 G906	I850-V908 HydrophobicContact CD1-CG2 3.93Å; G906-V908 PolarHBondContact O-N 2.85Å
909	S	41.7	Very low	56.8	Low	92 Å²	92	76.8 Å²	76.8	64%	0.643	45%	0.447	S	S	*	.			trans	-64.3	169.8	176.1	59.2	0	0	0	0	111
910	P	44.7	Very low	58.7	Low	90 Å²	90	69.1 Å²	69.1	58%	0.584	41%	0.411	S	S	*	.			trans	-56.3	158.8	-131	5.6	13.9	0	0	0	116.2	S912 D913	P910-S912 PolarHBondContact O-N 3.46Å; P910-D913 PolarHBondContact O-N 2.91Å
911	L	45.9	Very low	60.4	Low	143 Å²	143	67.8 Å²	67.8	75%	0.749	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42	-11.6	-178	-157	72.5	0	0	0	117.9	Y914	L911-Y914 WeakPolarHBondContact O-CD1 3.3Å; L911-Y914 WeakPolarHBondContact O-CE1 3.38Å
912	S	51.2	Low	62.1	Low	97 Å²	97	63.4 Å²	63.4	68%	0.678	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-26.9	175.3	48.7	0	0	0	0	114.1	P910	P910-S912 PolarHBondContact O-N 3.46Å
913	D	57.6	Low	63.6	Low	65 Å²	65	62.2 Å²	62.2	35%	0.348	38%	0.375	S	S	.	.	S	Bend	trans	-102.2	-3.7	-170.1	-85.7	-31.5	0	0	0	115.3	P910 K915 K916	P910-D913 PolarHBondContact O-N 2.91Å; D913-K915 PolarHBondContact O-N 3.46Å; D913-K915 VanDerWaalsContact O-N 3.09Å; D913-K916 HydrophobicContact CB-CD 4.36Å; D913-K916 WeakPolarHBondContact O-CB 3.32Å; D913-K916 PolarHBondContact O-N 3.05Å; D913-K916 WeakPolarHBondContact OD1-CD 3.37Å; D913-K916 VanDerWaalsContact OD1-CE 3.27Å; D913-K916 WeakPolarHBondContact OD1-CE 3.27Å; D913-K916 IonicContact OD1-NZ 3.22Å; D913-K916 PolarHBondContact OD1-NZ 3.18Å; D913-K916 IonicContact OD2-NZ 3.76Å
914	Y	62.8	Low	64.4	Low	28 Å²	28	57.7 Å²	57.7	11%	0.11	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-57.3	-33.8	-175.2	74.7	-90.6	0	0	0	113.8	F897 F902 L911 K916 N917 V918	F897-Y914 HydrophobicContact CB-CE2 4.45Å; F897-Y914 AromaticContact CD1-CD2 3.81Å; F897-Y914 HydrophobicContact CD1-CD2 3.81Å; F897-Y914 AromaticContact CD1-CE2 3.59Å; F897-Y914 HydrophobicContact CD1-CE2 3.59Å; F897-Y914 HydrophobicContact CE1-CD2 4.22Å; F897-Y914 HydrophobicContact CE1-CE2 4.42Å; F897-Y914 HydrophobicContact CG-CE2 4.41Å; F902-Y914 HydrophobicContact CE2-CD1 4.32Å; F902-Y914 AromaticContact CE2-CD2 3.96Å; F902-Y914 HydrophobicContact CE2-CD2 3.96Å; F902-Y914 AromaticContact CE2-CG 3.71Å; F902-Y914 HydrophobicContact CE2-CG 3.71Å; F902-Y914 AromaticContact CZ-CD2 3.88Å; F902-Y914 HydrophobicContact CZ-CD2 3.88Å; F902-Y914 AromaticContact CZ-CG 3.92Å; F902-Y914 HydrophobicContact CZ-CG 3.92Å; L911-Y914 WeakPolarHBondContact O-CD1 3.3Å; L911-Y914 WeakPolarHBondContact O-CE1 3.38Å; Y914-K916 PolarHBondContact O-N 2.76Å; Y914-K916 VanDerWaalsContact O-N 3.1Å; Y914-N917 PolarHBondContact O-N 2.89Å; Y914-V918 HydrophobicContact CD2-CG2 4.31Å; Y914-V918 WeakPolarHBondContact O-CG2 3.33Å; Y914-V918 PolarHBondContact O-N 2.9Å
915	K	63	Low	65.5	Low	114 Å²	114	57.1 Å²	57.1	50%	0.496	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-59.8	-24.4	-179.3	-73.7	-170.7	175.8	-174.2	0	112.7	D913 N917	D913-K915 PolarHBondContact O-N 3.46Å; D913-K915 VanDerWaalsContact O-N 3.09Å; K915-N917 VanDerWaalsContact C-N 3.29Å; K915-N917 PolarHBondContact O-N 3.41Å
916	K	68.6	Low	66.9	Low	71 Å²	71	56.6 Å²	56.6	31%	0.309	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-67.4	-32.4	177.8	-65.3	176.5	169.5	163.1	0	111.6	Y859 E860 S861 L862 D913 Y914	Y859-K916 HydrophobicContact CD2-CB 4.14Å; Y859-K916 HydrophobicContact CE2-CB 3.91Å; Y859-K916 WeakPolarHBondContact CE2-O 3.47Å; Y859-K916 VanDerWaalsContact O-CD 3.32Å; Y859-K916 WeakPolarHBondContact O-CD 3.33Å; Y859-K916 VanDerWaalsContact O-CE 3.29Å; Y859-K916 WeakPolarHBondContact O-CE 3.41Å; E860-K916 WeakPolarHBondContact O-CG 3.46Å; S861-K916 CarbonylContact C-O 3.4Å; L862-K916 WeakPolarHBondContact CG-O 3.28Å; L862-K916 PolarHBondContact N-O 3.32Å; D913-K916 HydrophobicContact CB-CD 4.36Å; D913-K916 WeakPolarHBondContact O-CB 3.32Å; D913-K916 PolarHBondContact O-N 3.05Å; D913-K916 WeakPolarHBondContact OD1-CD 3.37Å; D913-K916 VanDerWaalsContact OD1-CE 3.27Å; D913-K916 WeakPolarHBondContact OD1-CE 3.27Å; D913-K916 IonicContact OD1-NZ 3.22Å; D913-K916 PolarHBondContact OD1-NZ 3.18Å; D913-K916 IonicContact OD2-NZ 3.76Å; Y914-K916 PolarHBondContact O-N 2.76Å; Y914-K916 VanDerWaalsContact O-N 3.1Å
917	N	77.3	Confident	68.7	Low	24 Å²	24	54.3 Å²	54.3	13%	0.128	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-105.4	4.4	-168.8	-57.1	0.5	0	0	0	113.5	I850 L851 Y859 L862 Y914 K915	I850-N917 WeakPolarHBondContact CA-O 3.4Å; I850-N917 HydrophobicContact CG1-CB 4.35Å; L851-N917 PolarHBondContact N-O 2.58Å; Y859-N917 WeakPolarHBondContact CE2-OD1 3.48Å; Y859-N917 VanDerWaalsContact CZ-OD1 3.31Å; Y859-N917 PolarHBondContact OH-OD1 3.43Å; L862-N917 WeakPolarHBondContact CD1-O 3.49Å; Y914-N917 PolarHBondContact O-N 2.89Å; K915-N917 VanDerWaalsContact C-N 3.29Å; K915-N917 PolarHBondContact O-N 3.41Å
918	V	84.6	Confident	70.3	Confident	7 Å²	7	50.2 Å²	50.2	4%	0.042	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	136.3	-176.7	174.1	0	0	0	0	110.5	W848 F849 V894 F897 F902 Y914	W848-V918 HydrophobicContact CB-CG1 4.47Å; F849-V918 CarbonylContact O-C 3.57Å; F849-V918 VanDerWaalsContact O-CA 3.27Å; F849-V918 WeakPolarHBondContact O-CA 3.39Å; V894-V918 HydrophobicContact CG1-CB 4.37Å; V894-V918 HydrophobicContact CG1-CG1 3.82Å; V894-V918 HydrophobicContact CG2-CG1 4.3Å; F897-V918 HydrophobicContact CD2-CG1 4.25Å; F897-V918 HydrophobicContact CE1-CG2 4.27Å; F897-V918 HydrophobicContact CE2-CG1 4.21Å; F897-V918 HydrophobicContact CZ-CG2 4.31Å; F902-V918 HydrophobicContact CZ-CG2 4.49Å; Y914-V918 HydrophobicContact CD2-CG2 4.31Å; Y914-V918 WeakPolarHBondContact O-CG2 3.33Å; Y914-V918 PolarHBondContact O-N 2.9Å
919	L	89	Confident	71.7	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.016	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	131.9	171.9	-178.2	68.5	0	0	0	109	I824 L827 W848 F849 L862 L863 I891 L921 V936	I824-L919 HydrophobicContact CD1-CD2 4.29Å; L827-L919 HydrophobicContact CD1-CD2 3.8Å; W848-L919 WeakPolarHBondContact CA-O 3.44Å; F849-L919 HydrophobicContact CB-CB 4.42Å; F849-L919 PolarHBondContact N-O 3.22Å; F849-L919 PolarHBondContact O-N 3.26Å; L862-L919 HydrophobicContact CD1-CB 4.15Å; L863-L919 HydrophobicContact CD2-CD1 3.82Å; I891-L919 HydrophobicContact CG2-CD1 4.07Å; L919-L921 HydrophobicContact CD2-CD2 3.96Å; L919-L921 HydrophobicContact CD2-CG 4.26Å; L919-L921 HydrophobicContact CG-CD2 4.06Å; L919-L921 HydrophobicContact CG-CG 4.33Å; L919-V936 HydrophobicContact CD2-CG2 4.08Å
920	S	89.8	Confident	73.5	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	131.4	171.4	-172.3	0	0	0	0	109.4	Q846 S847 A892	Q846-S920 WeakPolarHBondContact CG-OG 3.36Å; Q846-S920 PolarHBondContact NE2-OG 3.11Å; S847-S920 CarbonylContact O-C 3.54Å; S847-S920 WeakPolarHBondContact O-CA 3.23Å; A892-S920 PolarHBondContact N-O 3.05Å
921	L	91.5	Very high	75.4	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	140.9	175.8	-62.5	-175.1	0	0	0	110.1	Q846 S847 F849 V874 V876 A889 T890 I891 L919 V936	Q846-L921 CarbonylContact C-O 3.47Å; Q846-L921 WeakPolarHBondContact CA-O 3.01Å; S847-L921 PolarHBondContact N-O 3.36Å; S847-L921 PolarHBondContact O-N 3.24Å; F849-L921 HydrophobicContact CD2-CD1 3.98Å; F849-L921 HydrophobicContact CD2-CG 4.08Å; F849-L921 HydrophobicContact CE2-CB 4.12Å; F849-L921 HydrophobicContact CE2-CD1 3.56Å; F849-L921 HydrophobicContact CE2-CG 3.94Å; F849-L921 HydrophobicContact CZ-CD1 4.23Å; V874-L921 HydrophobicContact CG2-CD2 4.03Å; V876-L921 HydrophobicContact CG2-CD1 3.77Å; A889-L921 HydrophobicContact CB-CB 4.06Å; A889-L921 HydrophobicContact CB-CD1 4.23Å; T890-L921 WeakPolarHBondContact O-CA 3.26Å; I891-L921 HydrophobicContact CG1-CD2 4.06Å; L919-L921 HydrophobicContact CD2-CD2 3.96Å; L919-L921 HydrophobicContact CD2-CG 4.26Å; L919-L921 HydrophobicContact CG-CD2 4.06Å; L919-L921 HydrophobicContact CG-CG 4.33Å; L921-V936 HydrophobicContact CD1-CG2 3.86Å
922	I	87.3	Confident	77.4	Confident	39 Å²	39	52.5 Å²	52.5	20%	0.2	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	119.6	168.4	-71.4	158.8	0	0	0	107.8	E844 V845 A889 T890 A892	E844-I922 HydrophobicContact CG-CG1 4.28Å; E844-I922 HydrophobicContact CG-CG2 3.65Å; E844-I922 WeakPolarHBondContact OE1-CD1 3.28Å; E844-I922 WeakPolarHBondContact OE1-CG1 3.38Å; E844-I922 VanDerWaalsContact OE1-CG2 3.25Å; E844-I922 WeakPolarHBondContact OE1-CG2 3.43Å; V845-I922 WeakPolarHBondContact O-CA 3.31Å; A889-I922 CarbonylContact C-O 3.47Å; A889-I922 VanDerWaalsContact CA-O 3.25Å; A889-I922 WeakPolarHBondContact CA-O 3.39Å; A889-I922 WeakPolarHBondContact CB-O 3.46Å; T890-I922 PolarHBondContact N-O 3.09Å; T890-I922 PolarHBondContact O-N 3.41Å; A892-I922 HydrophobicContact CB-CD1 3.5Å; A892-I922 VanDerWaalsContact CB-CD1 3.5Å; A892-I922 HydrophobicContact CB-CG1 3.74Å
923	S	85.1	Confident	79.3	Confident	8 Å²	8	50.5 Å²	50.5	6%	0.056	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	169.5	177.8	58	0	0	0	0	111.6	V845 R925	V845-S923 PolarHBondContact N-O 3.46Å; V845-S923 PolarHBondContact O-N 2.77Å; V845-S923 PolarHBondContact O-OG 3.33Å; S923-R925 PolarHBondContact OG-O 3.01Å
924	T	67.6	Low	81	Confident	37 Å²	37	47.5 Å²	47.5	23%	0.227	23%	0.233	C	C	.	.	S	Bend	trans	-83.9	-17.8	177.7	76.1	0	0	0	0	113.3	E887	E887-T924 PolarHBondContact OE1-OG1 3.29Å
925	R	74.9	Confident	82.4	Confident	73 Å²	73	46.1 Å²	46.1	28%	0.275	23%	0.227	S	C	.	.	S	Bend	trans	-141.9	156.1	-175.1	-64.4	175.9	-178.4	-150.1	-4.9	110.6	I572 E573 S923	I572-R925 PolarHBondContact O-NH1 3.49Å; I572-R925 PolarHBondContact O-NH2 3.33Å; I572-R925 VanDerWaalsContact O-NH2 3.11Å; E573-R925 PolarHBondContact O-NH1 3.43Å; E573-R925 VanDerWaalsContact O-NH1 3.17Å; E573-R925 PolarHBondContact O-NH2 2.59Å; S923-R925 PolarHBondContact OG-O 3.01Å
926	S	80.6	Confident	83.8	Confident	62 Å²	62	40.7 Å²	40.7	43%	0.434	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-68.5	145.3	168.1	53.5	0	0	0	0	110.6
927	F	85.3	Confident	84.9	Confident	4 Å²	4	37.4 Å²	37.4	2%	0.018	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-75.1	145.2	173.6	-59.4	-78	0	0	0	110.2	L829 S847 F849 V876 I886 E887 F934	L829-F927 HydrophobicContact CD1-CD2 4.42Å; L829-F927 HydrophobicContact CD2-CB 4.24Å; S847-F927 WeakPolarHBondContact OG-CE2 3.3Å; F849-F927 HydrophobicContact CE2-CD2 4.28Å; F849-F927 AromaticContact CE2-CE2 3.88Å; F849-F927 HydrophobicContact CE2-CE2 3.88Å; F849-F927 AromaticContact CZ-CD2 3.59Å; F849-F927 HydrophobicContact CZ-CD2 3.59Å; F849-F927 AromaticContact CZ-CE2 3.55Å; F849-F927 HydrophobicContact CZ-CE2 3.55Å; F849-F927 HydrophobicContact CZ-CG 4.23Å; F849-F927 HydrophobicContact CZ-CZ 4.15Å; V876-F927 HydrophobicContact CB-CE1 3.7Å; V876-F927 HydrophobicContact CB-CZ 4.28Å; V876-F927 HydrophobicContact CG1-CD1 4.04Å; V876-F927 HydrophobicContact CG1-CE1 3.51Å; V876-F927 HydrophobicContact CG1-CZ 4.13Å; V876-F927 HydrophobicContact CG2-CE1 3.88Å; V876-F927 HydrophobicContact CG2-CZ 3.95Å; I886-F927 HydrophobicContact CG2-CD1 4.35Å; E887-F927 HydrophobicContact CB-CE1 3.88Å; F927-F934 HydrophobicContact CB-CE1 3.84Å; F927-F934 HydrophobicContact CB-CZ 3.78Å; F927-F934 HydrophobicContact CD1-CE1 4.13Å; F927-F934 HydrophobicContact CG-CE1 4.2Å; F927-F934 HydrophobicContact CG-CZ 4.5Å
928	P	80.1	Confident	85.5	Confident	44 Å²	44	39 Å²	39	29%	0.286	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-74.7	132.2	-176.1	29.6	-34.7	0	0	0	112	I886 R930 I931	I886-P928 HydrophobicContact CG2-CG 4.28Å; P928-R930 HydrophobicContact CB-CG 4.28Å; P928-R930 PolarHBondContact O-N 2.95Å; P928-R930 VanDerWaalsContact O-N 3.09Å; P928-I931 HydrophobicContact CG-CD1 3.72Å; P928-I931 HydrophobicContact CG-CG1 4.13Å; P928-I931 PolarHBondContact O-N 2.74Å; P928-I931 VanDerWaalsContact O-N 3.12Å
929	D	76.9	Confident	85.6	Confident	152 Å²	152	41.6 Å²	41.6	81%	0.813	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-20.8	-175.8	-61.8	-33.3	0	0	0	114.4	I931	D929-I931 PolarHBondContact O-N 2.88Å
930	R	78.8	Confident	85.2	Confident	116 Å²	116	41.9 Å²	41.9	44%	0.438	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-15.4	177	72.5	-172.9	-176.7	166.6	6.3	113.5	F637 P928	F637-R930 VanDerWaalsContact CE2-NH2 3.34Å; P928-R930 HydrophobicContact CB-CG 4.28Å; P928-R930 PolarHBondContact O-N 2.95Å; P928-R930 VanDerWaalsContact O-N 3.09Å
931	I	86.2	Confident	84.6	Confident	13 Å²	13	43.8 Å²	43.8	7%	0.067	22%	0.218	C	C	.	.			trans	-99.8	117.1	178.9	-57.3	179.8	0	0	0	108.4	F883 I886 P928 D929 L933 F934	F883-I931 HydrophobicContact CB-CD1 3.82Å; F883-I931 HydrophobicContact CD2-CD1 3.67Å; F883-I931 HydrophobicContact CD2-CG1 3.85Å; F883-I931 HydrophobicContact CE2-CD1 4.42Å; F883-I931 HydrophobicContact CE2-CG1 4.2Å; F883-I931 HydrophobicContact CG-CD1 3.81Å; F883-I931 HydrophobicContact CG-CG1 4.46Å; I886-I931 HydrophobicContact CD1-CD1 3.32Å; I886-I931 HydrophobicContact CG1-CD1 3.98Å; P928-I931 HydrophobicContact CG-CD1 3.72Å; P928-I931 HydrophobicContact CG-CG1 4.13Å; P928-I931 PolarHBondContact O-N 2.74Å; P928-I931 VanDerWaalsContact O-N 3.12Å; D929-I931 PolarHBondContact O-N 2.88Å; I931-L933 WeakPolarHBondContact CG2-O 3.46Å; I931-F934 HydrophobicContact CB-CE1 3.9Å; I931-F934 HydrophobicContact CB-CE2 4.29Å; I931-F934 HydrophobicContact CB-CZ 3.65Å; I931-F934 HydrophobicContact CD1-CE1 4.41Å; I931-F934 HydrophobicContact CG2-CD1 3.97Å; I931-F934 HydrophobicContact CG2-CD2 4.37Å; I931-F934 HydrophobicContact CG2-CE1 3.62Å; I931-F934 HydrophobicContact CG2-CE2 4.04Å; I931-F934 HydrophobicContact CG2-CG 4.34Å; I931-F934 HydrophobicContact CG2-CZ 3.66Å; I931-F934 VanDerWaalsContact O-CE2 3.24Å; I931-F934 WeakPolarHBondContact O-CE2 3.48Å; I931-F934 WeakPolarHBondContact O-CZ 3.41Å
932	Q	86.8	Confident	84.1	Confident	146 Å²	146	45.2 Å²	45.2	68%	0.682	23%	0.225	S	C	*	.			trans	-86.4	-37.5	-175.5	-64.2	-176.6	-7	0	0	113.2
933	L	91.4	Very high	83.8	Confident	54 Å²	54	44.6 Å²	44.6	28%	0.283	22%	0.221	S	C	.	.			trans	-126.3	132.8	-177.5	-65.7	175.6	0	0	0	110.1	L827 H852 D879 I931	L827-L933 CarbonylContact O-C 3.57Å; L827-L933 WeakPolarHBondContact O-CA 3.5Å; H852-L933 HydrophobicContact CB-CD2 3.75Å; D879-L933 HydrophobicContact CB-CB 3.89Å; D879-L933 PolarHBondContact N-O 3.35Å; I931-L933 WeakPolarHBondContact CG2-O 3.46Å
934	F	93	Very high	83.8	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.009	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	158.1	-178.6	-63.2	-92.7	0	0	0	110.2	G826 L827 L829 F849 V876 S877 I886 F927 I931	G826-F934 PolarHBondContact N-O 2.93Å; L827-F934 HydrophobicContact CB-CB 4.21Å; L827-F934 WeakPolarHBondContact CB-O 3.36Å; L827-F934 PolarHBondContact N-O 3.27Å; L827-F934 PolarHBondContact O-N 3.24Å; L829-F934 HydrophobicContact CB-CE2 4.04Å; F849-F934 HydrophobicContact CD1-CB 4.42Å; F849-F934 HydrophobicContact CD1-CD2 4.26Å; F849-F934 HydrophobicContact CE1-CB 4.04Å; F849-F934 HydrophobicContact CE1-CD1 4.44Å; F849-F934 AromaticContact CE1-CD2 3.69Å; F849-F934 HydrophobicContact CE1-CD2 3.69Å; F849-F934 HydrophobicContact CE1-CE2 4.24Å; F849-F934 AromaticContact CE1-CG 3.8Å; F849-F934 HydrophobicContact CE1-CG 3.8Å; V876-F934 HydrophobicContact CG1-CB 4.42Å; V876-F934 HydrophobicContact CG1-CD1 3.88Å; S877-F934 CarbonylContact O-C 3.59Å; S877-F934 VanDerWaalsContact O-CA 3.31Å; S877-F934 WeakPolarHBondContact O-CA 3.37Å; I886-F934 HydrophobicContact CD1-CD1 4.16Å; I886-F934 HydrophobicContact CD1-CE1 4.05Å; F927-F934 HydrophobicContact CB-CE1 3.84Å; F927-F934 HydrophobicContact CB-CZ 3.78Å; F927-F934 HydrophobicContact CD1-CE1 4.13Å; F927-F934 HydrophobicContact CG-CE1 4.2Å; F927-F934 HydrophobicContact CG-CZ 4.5Å; I931-F934 HydrophobicContact CB-CE1 3.9Å; I931-F934 HydrophobicContact CB-CE2 4.29Å; I931-F934 HydrophobicContact CB-CZ 3.65Å; I931-F934 HydrophobicContact CD1-CE1 4.41Å; I931-F934 HydrophobicContact CG2-CD1 3.97Å; I931-F934 HydrophobicContact CG2-CD2 4.37Å; I931-F934 HydrophobicContact CG2-CE1 3.62Å; I931-F934 HydrophobicContact CG2-CE2 4.04Å; I931-F934 HydrophobicContact CG2-CG 4.34Å; I931-F934 HydrophobicContact CG2-CZ 3.66Å; I931-F934 VanDerWaalsContact O-CE2 3.24Å; I931-F934 WeakPolarHBondContact O-CE2 3.48Å; I931-F934 WeakPolarHBondContact O-CZ 3.41Å
935	R	92.3	Very high	84.9	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	156.4	166.5	62.8	178.2	-70.6	157.5	4	109.4	I808 T811 S812 I824 R825 V876 S877 S878 D937	I808-R935 PolarHBondContact O-NH1 3.02Å; T811-R935 PolarHBondContact OG1-NH1 3Å; T811-R935 PolarHBondContact OG1-NH2 3.16Å; T811-R935 VanDerWaalsContact OG1-NH2 3.1Å; S812-R935 PolarHBondContact OG-NH1 3.48Å; S812-R935 VanDerWaalsContact OG-NH1 3.14Å; I824-R935 CarbonylContact O-C 3.59Å; I824-R935 VanDerWaalsContact O-CA 3.27Å; I824-R935 WeakPolarHBondContact O-CA 3.35Å; R825-R935 HydrophobicContact CG-CB 4.07Å; V876-R935 WeakPolarHBondContact CA-O 3.42Å; S877-R935 PolarHBondContact N-O 3.47Å; S877-R935 PolarHBondContact O-N 2.87Å; S878-R935 WeakPolarHBondContact O-CD 3.42Å; R935-D937 IonicContact CZ-OD1 3.87Å; R935-D937 IonicContact CZ-OD2 2.68Å; R935-D937 IonicContact NE-OD1 2.83Å; R935-D937 IonicContact NE-OD2 3.33Å; R935-D937 PolarHBondContact NE-OD2 3.36Å; R935-D937 IonicContact NH2-OD1 3.51Å; R935-D937 PolarHBondContact NH2-OD1 3.47Å; R935-D937 IonicContact NH2-OD2 2.84Å; R935-D937 PolarHBondContact NH2-OD2 3.27Å
936	V	93	Very high	85.6	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	128.4	-177.9	177.6	0	0	0	0	107.9	T823 I824 L827 V874 I875 V876 L919 L921	T823-V936 CarbonylContact C-O 3.54Å; T823-V936 VanDerWaalsContact CA-O 3.29Å; T823-V936 WeakPolarHBondContact CA-O 2.81Å; I824-V936 PolarHBondContact N-O 3.3Å; I824-V936 PolarHBondContact O-N 2.96Å; L827-V936 HydrophobicContact CD1-CB 4.12Å; L827-V936 HydrophobicContact CD1-CG2 3.48Å; L827-V936 VanDerWaalsContact CD1-CG2 3.48Å; V874-V936 HydrophobicContact CB-CG1 3.35Å; V874-V936 HydrophobicContact CG1-CG1 3.55Å; V874-V936 HydrophobicContact CG2-CG1 3.45Å; V874-V936 VanDerWaalsContact CG2-CG1 3.45Å; I875-V936 WeakPolarHBondContact O-CA 3.46Å; V876-V936 HydrophobicContact CG2-CG2 4.43Å; L919-V936 HydrophobicContact CD2-CG2 4.08Å; L921-V936 HydrophobicContact CD1-CG2 3.86Å
937	D	92.3	Very high	86	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.011	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	138	-178.3	-65.3	-88.1	0	0	0	110.5	V804 I808 G822 T823 V874 I875 R935 Y939	V804-D937 HydrophobicContact CG1-CB 3.9Å; I808-D937 HydrophobicContact CD1-CB 4.26Å; I808-D937 HydrophobicContact CG1-CB 4.39Å; I808-D937 WeakPolarHBondContact CG1-OD2 3.33Å; G822-D937 CarbonylContact O-C 3.51Å; G822-D937 WeakPolarHBondContact O-CA 2.9Å; T823-D937 WeakPolarHBondContact CB-OD1 3.16Å; T823-D937 WeakPolarHBondContact CG2-OD1 3.04Å; T823-D937 PolarHBondContact OG1-OD1 2.84Å; V874-D937 CarbonylContact C-O 3.57Å; V874-D937 WeakPolarHBondContact CA-O 3.37Å; V874-D937 WeakPolarHBondContact CB-O 3.46Å; I875-D937 PolarHBondContact N-O 3.44Å; I875-D937 PolarHBondContact O-N 3.37Å; R935-D937 IonicContact CZ-OD1 3.87Å; R935-D937 IonicContact CZ-OD2 2.68Å; R935-D937 IonicContact NE-OD1 2.83Å; R935-D937 IonicContact NE-OD2 3.33Å; R935-D937 PolarHBondContact NE-OD2 3.36Å; R935-D937 IonicContact NH2-OD1 3.51Å; R935-D937 PolarHBondContact NH2-OD1 3.47Å; R935-D937 IonicContact NH2-OD2 2.84Å; R935-D937 PolarHBondContact NH2-OD2 3.27Å; D937-Y939 PolarHBondContact O-N 3.4Å
938	R	89.5	Confident	86.4	Confident	56 Å²	56	40 Å²	40	21%	0.211	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	129.8	-179.8	-169.2	179.3	-177.3	87.3	22.8	110.4	E799 G822 L868 D872 V940	E799-R938 IonicContact OE2-NE 3.21Å; G822-R938 PolarHBondContact O-N 2.96Å; L868-R938 HydrophobicContact CD2-CB 3.85Å; L868-R938 HydrophobicContact CD2-CG 4.06Å; D872-R938 IonicContact OD1-CZ 2.7Å; D872-R938 IonicContact OD1-NH1 3.33Å; D872-R938 IonicContact OD1-NH2 3.62Å; D872-R938 PolarHBondContact OD1-NH2 3.2Å; D872-R938 IonicContact OD2-CZ 3.38Å; D872-R938 IonicContact OD2-NH1 3.67Å; D872-R938 PolarHBondContact OD2-NH1 2.82Å; D872-R938 IonicContact OD2-NH2 2.76Å; R938-V940 HydrophobicContact CG-CG2 4.28Å
939	Y	86	Confident	87.1	Confident	62 Å²	62	37.9 Å²	37.9	24%	0.243	18%	0.181	C	C	.	.			trans	-117	123.1	174.1	179	-114.6	0	0	0	110.5	F801 F873 I875 L888 D937	F801-Y939 AromaticContact CD2-CD2 3.98Å; F801-Y939 HydrophobicContact CD2-CD2 3.98Å; F801-Y939 AromaticContact CD2-CE2 3.67Å; F801-Y939 HydrophobicContact CD2-CE2 3.67Å; F801-Y939 HydrophobicContact CE2-CE2 4.28Å; F801-Y939 HydrophobicContact CG-CE2 4.47Å; F873-Y939 HydrophobicContact CB-CD1 4.15Å; F873-Y939 PolarHBondContact O-N 2.65Å; I875-Y939 HydrophobicContact CD1-CD2 3.9Å; I875-Y939 HydrophobicContact CD1-CG 4.37Å; I875-Y939 HydrophobicContact CG1-CD2 4.21Å; I875-Y939 HydrophobicContact CG1-CG 4.26Å; L888-Y939 HydrophobicContact CD2-CD1 4.29Å; L888-Y939 HydrophobicContact CD2-CG 4.41Å; D937-Y939 PolarHBondContact O-N 3.4Å
940	V	80.5	Confident	87.7	Confident	10 Å²	10	30.8 Å²	30.8	6%	0.061	14%	0.143	C	C	.	.			trans	-112.3	118.7	177	-170.7	0	0	0	0	108.5	Y143 E799 R938 M942	Y143-V940 WeakPolarHBondContact OH-CG1 3.34Å; E799-V940 HydrophobicContact CB-CG2 4.48Å; R938-V940 HydrophobicContact CG-CG2 4.28Å; V940-M942 HydrophobicContact CB-CE 3.68Å; V940-M942 HydrophobicContact CG1-CE 3.45Å; V940-M942 VanDerWaalsContact CG1-CE 3.45Å; V940-M942 VanDerWaalsContact O-CE 3.23Å; V940-M942 WeakPolarHBondContact O-CE 3.31Å
941	S	77.8	Confident	88.4	Confident	39 Å²	39	25.3 Å²	25.3	27%	0.273	12%	0.122	S	C	.	.			trans	-72	132.1	177.1	178.9	0	0	0	0	110.9	K943	S941-K943 VanDerWaalsContact C-N 3.34Å; S941-K943 PolarHBondContact OG-N 3.04Å
942	M	80.4	Confident	88.8	Confident	30 Å²	30	24.7 Å²	24.7	15%	0.148	12%	0.119	C	C	.	.			trans	-94.1	10.2	178	-62.3	-62.1	122	0	0	112.9	Y795 N798 V940 T944 I945	Y795-M942 HydrophobicContact CD2-CB 4.28Å; Y795-M942 HydrophobicContact CD2-CG 4.12Å; Y795-M942 HydrophobicContact CD2-SD 4.3Å; Y795-M942 HydrophobicContact CE2-CB 4.1Å; Y795-M942 HydrophobicContact CE2-CG 3.83Å; N798-M942 HydrophobicContact CB-CE 4.33Å; N798-M942 HydrophobicContact CB-SD 4.06Å; V940-M942 HydrophobicContact CB-CE 3.68Å; V940-M942 HydrophobicContact CG1-CE 3.45Å; V940-M942 VanDerWaalsContact CG1-CE 3.45Å; V940-M942 VanDerWaalsContact O-CE 3.23Å; V940-M942 WeakPolarHBondContact O-CE 3.31Å; M942-T944 PolarHBondContact O-N 3.27Å; M942-I945 WeakPolarHBondContact O-CB 3.49Å; M942-I945 PolarHBondContact O-N 2.73Å; M942-I945 HydrophobicContact SD-CD1 4.16Å
943	K	80.7	Confident	89.1	Confident	26 Å²	26	17.8 Å²	17.8	11%	0.113	9%	0.087	C	C	.	.	H	α-helix	trans	-61.8	-30.1	-176.4	-175.1	124.5	167.4	-168.2	0	113.5	D139 L140 S941 I945 Q946 L947	D139-K943 HydrophobicContact CB-CD 3.69Å; D139-K943 WeakPolarHBondContact O-CD 3.33Å; D139-K943 WeakPolarHBondContact O-CE 3.21Å; D139-K943 WeakPolarHBondContact O-CG 3.33Å; D139-K943 PolarHBondContact O-NZ 3.4Å; L140-K943 VanDerWaalsContact CD2-CE 3.47Å; S941-K943 VanDerWaalsContact C-N 3.34Å; S941-K943 PolarHBondContact OG-N 3.04Å; K943-I945 PolarHBondContact O-N 3.33Å; K943-Q946 PolarHBondContact O-N 3.27Å; K943-L947 HydrophobicContact CG-CD1 4.19Å; K943-L947 HydrophobicContact CG-CG 4.05Å; K943-L947 WeakPolarHBondContact O-CG 2.84Å; K943-L947 PolarHBondContact O-N 2.98Å
944	T	86	Confident	89.2	Confident	20 Å²	20	15.5 Å²	15.5	12%	0.123	8%	0.076	C	C	.	.	H	α-helix	trans	-52.8	-39	173.5	-57.5	0	0	0	0	112	Y143 M942 N948 L1122 M1152	Y143-T944 VanDerWaalsContact CD2-OG1 3.3Å; Y143-T944 WeakPolarHBondContact CD2-OG1 3.49Å; M942-T944 PolarHBondContact O-N 3.27Å; T944-N948 WeakPolarHBondContact O-CB 3.37Å; T944-N948 PolarHBondContact O-N 3.13Å; T944-N948 PolarHBondContact O-ND2 3.16Å; T944-L1122 HydrophobicContact CG2-CD2 3.93Å; T944-M1152 HydrophobicContact CG2-CE 4.14Å
945	I	91.1	Very high	89.2	Confident	11 Å²	11	15.4 Å²	15.4	6%	0.056	8%	0.075	C	C	.	.	H	α-helix	trans	-68.2	-45	178.1	-65.3	168.9	0	0	0	110.2	L791 Y795 M942 K943 L947 N948 L949	L791-I945 HydrophobicContact CB-CG2 4.38Å; Y795-I945 HydrophobicContact CD2-CD1 3.95Å; Y795-I945 HydrophobicContact CG-CD1 4.35Å; M942-I945 WeakPolarHBondContact O-CB 3.49Å; M942-I945 PolarHBondContact O-N 2.73Å; M942-I945 HydrophobicContact SD-CD1 4.16Å; K943-I945 PolarHBondContact O-N 3.33Å; I945-L947 PolarHBondContact O-N 2.9Å; I945-N948 PolarHBondContact O-N 2.87Å; I945-L949 HydrophobicContact CG2-CD1 3.95Å; I945-L949 HydrophobicContact CG2-CG 4.39Å; I945-L949 WeakPolarHBondContact O-CB 3.25Å; I945-L949 VanDerWaalsContact O-CG 3.29Å; I945-L949 WeakPolarHBondContact O-CG 3.44Å; I945-L949 PolarHBondContact O-N 3.46Å
946	Q	88.8	Confident	89.3	Confident	52 Å²	52	15.4 Å²	15.4	24%	0.243	8%	0.075	C	C	.	.	H	α-helix	trans	-62.3	-41	176.7	-63.7	-179.9	-26.4	0	0	112.6	Y448 F449 V451 K943 L949 S950	Y448-Q946 PolarHBondContact O-NE2 3.49Å; F449-Q946 WeakPolarHBondContact O-CA 3.15Å; F449-Q946 WeakPolarHBondContact O-CG 3.38Å; V451-Q946 HydrophobicContact CG2-CB 4.33Å; K943-Q946 PolarHBondContact O-N 3.27Å; Q946-L949 PolarHBondContact O-N 2.94Å; Q946-S950 WeakPolarHBondContact O-CB 3.32Å; Q946-S950 PolarHBondContact O-N 3.08Å
947	L	90.1	Very high	89.2	Confident	4 Å²	4	17.3 Å²	17.3	2%	0.021	8%	0.083	C	C	.	.	H	α-helix	trans	-63.9	-44.1	175.8	-68.8	174.2	0	0	0	111.3	K943 I945 S950 N951 L1130	K943-L947 HydrophobicContact CG-CD1 4.19Å; K943-L947 HydrophobicContact CG-CG 4.05Å; K943-L947 WeakPolarHBondContact O-CG 2.84Å; K943-L947 PolarHBondContact O-N 2.98Å; I945-L947 PolarHBondContact O-N 2.9Å; L947-S950 PolarHBondContact O-N 3.3Å; L947-N951 PolarHBondContact O-N 2.84Å; L947-N951 PolarHBondContact O-OD1 3.09Å; L947-L1130 HydrophobicContact CD2-CB 3.85Å; L947-L1130 HydrophobicContact CD2-CD1 4.08Å
948	N	93.2	Very high	89.1	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-65	-41.1	177.3	-77.1	-20.9	0	0	0	112.2	L791 T944 I945 N951 L952 M1152 P1154 T1155	L791-N948 HydrophobicContact CD1-CB 3.83Å; L791-N948 HydrophobicContact CD2-CB 3.99Å; T944-N948 WeakPolarHBondContact O-CB 3.37Å; T944-N948 PolarHBondContact O-N 3.13Å; T944-N948 PolarHBondContact O-ND2 3.16Å; I945-N948 PolarHBondContact O-N 2.87Å; N948-N951 WeakPolarHBondContact O-CB 3.31Å; N948-N951 PolarHBondContact O-N 2.85Å; N948-L952 WeakPolarHBondContact O-CG 3.42Å; N948-L952 PolarHBondContact O-N 2.95Å; N948-M1152 VanDerWaalsContact ND2-CE 3.34Å; N948-M1152 WeakPolarHBondContact ND2-CE 3.45Å; N948-P1154 HydrophobicContact CB-CB 3.73Å; N948-T1155 PolarHBondContact ND2-OG1 3.02Å; N948-T1155 VanDerWaalsContact OD1-CA 3.28Å; N948-T1155 WeakPolarHBondContact OD1-CA 3.31Å; N948-T1155 PolarHBondContact OD1-N 3.27Å; N948-T1155 PolarHBondContact OD1-OG1 3.25Å
949	L	94	Very high	89	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-64	-41.3	174	-73.7	173	0	0	0	111.7	F449 W450 L791 I945 Q946 N951 L952 V953	F449-L949 HydrophobicContact CB-CD1 3.73Å; W450-L949 HydrophobicContact CD2-CD1 4.49Å; W450-L949 HydrophobicContact CZ2-CD1 4.23Å; W450-L949 HydrophobicContact CZ2-CD2 3.81Å; L791-L949 HydrophobicContact CB-CD2 4.17Å; L791-L949 HydrophobicContact CD1-CD2 3.73Å; L791-L949 HydrophobicContact CD1-CG 4Å; I945-L949 HydrophobicContact CG2-CD1 3.95Å; I945-L949 HydrophobicContact CG2-CG 4.39Å; I945-L949 WeakPolarHBondContact O-CB 3.25Å; I945-L949 VanDerWaalsContact O-CG 3.29Å; I945-L949 WeakPolarHBondContact O-CG 3.44Å; I945-L949 PolarHBondContact O-N 3.46Å; Q946-L949 PolarHBondContact O-N 2.94Å; L949-N951 VanDerWaalsContact C-N 3.33Å; L949-N951 PolarHBondContact O-N 3.12Å; L949-L952 HydrophobicContact CD2-CD1 4.44Å; L949-L952 WeakPolarHBondContact O-CB 3.46Å; L949-L952 PolarHBondContact O-N 3.12Å; L949-V953 WeakPolarHBondContact O-CG2 3.33Å; L949-V953 PolarHBondContact O-N 3.45Å
950	S	90.7	Very high	89.2	Confident	4 Å²	4	21 Å²	21	3%	0.028	11%	0.11	C	C	.	.	H	α-helix	trans	-64	-36.9	174.2	178.2	0	0	0	0	112.5	Q946 L947 L952 V953 S954 G1126	Q946-S950 WeakPolarHBondContact O-CB 3.32Å; Q946-S950 PolarHBondContact O-N 3.08Å; L947-S950 PolarHBondContact O-N 3.3Å; S950-L952 VanDerWaalsContact C-N 3.34Å; S950-L952 PolarHBondContact O-N 3.29Å; S950-V953 PolarHBondContact O-N 2.88Å; S950-S954 WeakPolarHBondContact O-CB 3.21Å; S950-S954 PolarHBondContact O-N 2.88Å; S950-S954 PolarHBondContact O-OG 2.96Å; S950-G1126 PolarHBondContact OG-O 2.93Å
951	N	93.3	Very high	89.7	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.7	-40.6	172.9	-71.2	-14.8	0	0	0	111.8	L947 N948 L949 S954 L955 S1125 G1126 P1154 L1157 G1158	L947-N951 PolarHBondContact O-N 2.84Å; L947-N951 PolarHBondContact O-OD1 3.09Å; N948-N951 WeakPolarHBondContact O-CB 3.31Å; N948-N951 PolarHBondContact O-N 2.85Å; L949-N951 VanDerWaalsContact C-N 3.33Å; L949-N951 PolarHBondContact O-N 3.12Å; N951-S954 WeakPolarHBondContact O-CB 3.45Å; N951-S954 PolarHBondContact O-N 2.89Å; N951-L955 PolarHBondContact O-N 2.95Å; N951-S1125 WeakPolarHBondContact ND2-CB 3.37Å; N951-S1125 PolarHBondContact ND2-OG 3.39Å; N951-S1125 VanDerWaalsContact ND2-OG 3.11Å; N951-G1126 PolarHBondContact OD1-N 3.35Å; N951-P1154 WeakPolarHBondContact CB-O 3.46Å; N951-P1154 PolarHBondContact ND2-O 3.37Å; N951-L1157 HydrophobicContact CB-CB 3.89Å; N951-L1157 HydrophobicContact CB-CD1 4.32Å; N951-G1158 PolarHBondContact ND2-N 3.43Å
952	L	94.6	Very high	90.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-64.5	-44	175.6	-69.8	172.9	0	0	0	111.8	F784 W787 L791 N948 L949 S950 S954 L955 M956 F1153 P1154 L1157	F784-L952 HydrophobicContact CD2-CB 3.86Å; F784-L952 HydrophobicContact CE2-CB 3.92Å; W787-L952 HydrophobicContact CB-CD1 3.72Å; W787-L952 HydrophobicContact CB-CD2 4.01Å; L791-L952 HydrophobicContact CD1-CD1 3.66Å; N948-L952 WeakPolarHBondContact O-CG 3.42Å; N948-L952 PolarHBondContact O-N 2.95Å; L949-L952 HydrophobicContact CD2-CD1 4.44Å; L949-L952 WeakPolarHBondContact O-CB 3.46Å; L949-L952 PolarHBondContact O-N 3.12Å; S950-L952 VanDerWaalsContact C-N 3.34Å; S950-L952 PolarHBondContact O-N 3.29Å; L952-S954 VanDerWaalsContact C-N 3.28Å; L952-S954 PolarHBondContact O-N 2.85Å; L952-L955 WeakPolarHBondContact O-CB 3.26Å; L952-L955 PolarHBondContact O-N 3.39Å; L952-M956 WeakPolarHBondContact O-CG 3.4Å; L952-M956 PolarHBondContact O-N 2.89Å; L952-F1153 HydrophobicContact CD2-CE1 3.85Å; L952-P1154 HydrophobicContact CD1-CG 4.47Å; L952-P1154 HydrophobicContact CD2-CB 4.42Å; L952-P1154 HydrophobicContact CD2-CG 4.35Å; L952-P1154 HydrophobicContact CG-CB 4.28Å; L952-P1154 HydrophobicContact CG-CG 4.49Å; L952-L1157 HydrophobicContact CD2-CD1 3.93Å
953	V	93.4	Very high	91	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	11%	0.111	C	C	.	.	H	α-helix	trans	-60.8	-41.9	173.9	173.6	0	0	0	0	110.6	D453 L742 T743 F784 L949 S950 L955 M956	D453-V953 HydrophobicContact CB-CG1 4.38Å; L742-V953 HydrophobicContact CD2-CG1 3.95Å; L742-V953 HydrophobicContact CG-CG1 4.31Å; T743-V953 WeakPolarHBondContact OG1-CG2 3.41Å; F784-V953 HydrophobicContact CE2-CG2 3.73Å; F784-V953 HydrophobicContact CZ-CG2 3.99Å; L949-V953 WeakPolarHBondContact O-CG2 3.33Å; L949-V953 PolarHBondContact O-N 3.45Å; S950-V953 PolarHBondContact O-N 2.88Å; V953-L955 VanDerWaalsContact C-N 3.3Å; V953-L955 PolarHBondContact O-N 3.3Å; V953-M956 WeakPolarHBondContact O-CB 3.45Å; V953-M956 PolarHBondContact O-N 3.42Å
954	S	91.7	Very high	91.6	Very high	7 Å²	7	23 Å²	23	5%	0.049	12%	0.116	C	C	.	.	H	α-helix	trans	-61.6	-38.1	178.8	-62.4	0	0	0	0	112.3	S950 N951 L952 M956 R957 C962 L1161	S950-S954 WeakPolarHBondContact O-CB 3.21Å; S950-S954 PolarHBondContact O-N 2.88Å; S950-S954 PolarHBondContact O-OG 2.96Å; N951-S954 WeakPolarHBondContact O-CB 3.45Å; N951-S954 PolarHBondContact O-N 2.89Å; L952-S954 VanDerWaalsContact C-N 3.28Å; L952-S954 PolarHBondContact O-N 2.85Å; S954-M956 PolarHBondContact O-N 3.24Å; S954-R957 WeakPolarHBondContact O-CB 3.12Å; S954-R957 WeakPolarHBondContact O-CD 3.21Å; S954-R957 WeakPolarHBondContact O-CG 3.39Å; S954-R957 PolarHBondContact O-N 3.45Å; S954-C962 PolarHBondContact O-SG 3.28Å; S954-L1161 VanDerWaalsContact CB-CD1 3.43Å
955	L	94	Very high	92	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62	-26.2	174.1	-179.1	63.8	0	0	0	112.8	F783 N951 L952 V953 R957 L965 R966 I970 F1153 L1157	F783-L955 HydrophobicContact CE1-CD2 4.31Å; N951-L955 PolarHBondContact O-N 2.95Å; L952-L955 WeakPolarHBondContact O-CB 3.26Å; L952-L955 PolarHBondContact O-N 3.39Å; V953-L955 VanDerWaalsContact C-N 3.3Å; V953-L955 PolarHBondContact O-N 3.3Å; L955-R957 VanDerWaalsContact C-N 3.32Å; L955-R957 PolarHBondContact O-N 2.87Å; L955-L965 HydrophobicContact CD1-CB 3.62Å; L955-R966 HydrophobicContact CD1-CG 3.98Å; L955-R966 HydrophobicContact CG-CG 4.05Å; L955-R966 PolarHBondContact O-NH1 3.43Å; L955-I970 HydrophobicContact CD2-CD1 4.22Å; L955-F1153 HydrophobicContact CD2-CZ 4.29Å; L955-L1157 HydrophobicContact CB-CD1 4.23Å; L955-L1157 HydrophobicContact CD1-CD2 4.21Å; L955-L1157 HydrophobicContact CD2-CD1 3.97Å; L955-L1157 HydrophobicContact CD2-CD2 4Å
956	M	94.6	Very high	92.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-0.7	-179.3	-62.3	-59.9	132.2	0	0	114	L746 H775 L776 H780 F784 L952 V953 S954 I970	L746-M956 HydrophobicContact CD1-CB 3.88Å; L746-M956 HydrophobicContact CD1-CG 3.87Å; L746-M956 HydrophobicContact CD2-CB 4.08Å; L746-M956 HydrophobicContact CD2-CG 4.02Å; H775-M956 PolarHBondContact NE2-O 3.18Å; L776-M956 HydrophobicContact CD1-CB 4.05Å; L776-M956 HydrophobicContact CD1-SD 4.28Å; L776-M956 HydrophobicContact CD2-SD 4.2Å; H780-M956 HydrophobicContact CB-SD 4.2Å; H780-M956 WeakPolarHBondContact O-CE 3.24Å; F784-M956 HydrophobicContact CB-CE 4.02Å; F784-M956 HydrophobicContact CB-CG 4.24Å; F784-M956 HydrophobicContact CB-SD 4.15Å; F784-M956 HydrophobicContact CD2-CG 3.99Å; F784-M956 HydrophobicContact CG-CG 4.27Å; L952-M956 WeakPolarHBondContact O-CG 3.4Å; L952-M956 PolarHBondContact O-N 2.89Å; V953-M956 WeakPolarHBondContact O-CB 3.45Å; V953-M956 PolarHBondContact O-N 3.42Å; S954-M956 PolarHBondContact O-N 3.24Å; M956-I970 HydrophobicContact CE-CD1 3.87Å
957	R	90.9	Very high	92.6	Very high	40 Å²	40	21.5 Å²	21.5	15%	0.151	11%	0.107	C	C	.	.	S	Bend	trans	-71.5	157.3	-178	-67.5	168.3	57	130.6	-9.3	112.9	D453 G454 L742 S954 L955 S959 C962 R966	D453-R957 PolarHBondContact O-NH1 3.49Å; G454-R957 PolarHBondContact O-NH1 3.1Å; L742-R957 HydrophobicContact CD2-CG 3.62Å; S954-R957 WeakPolarHBondContact O-CB 3.12Å; S954-R957 WeakPolarHBondContact O-CD 3.21Å; S954-R957 WeakPolarHBondContact O-CG 3.39Å; S954-R957 PolarHBondContact O-N 3.45Å; L955-R957 VanDerWaalsContact C-N 3.32Å; L955-R957 PolarHBondContact O-N 2.87Å; R957-S959 PolarHBondContact O-N 3.44Å; R957-C962 WeakPolarHBondContact O-CB 3.39Å; R957-R966 PolarHBondContact O-NH1 3.19Å
958	S	89.1	Confident	92.7	Very high	51 Å²	51	21.4 Å²	21.4	36%	0.357	11%	0.107	S	C	.	.	S	Bend	trans	-76.8	13.4	-178.6	47.3	0	0	0	0	115.1	E458 H775	E458-S958 WeakPolarHBondContact OE1-CB 3.48Å; E458-S958 PolarHBondContact OE1-OG 2.86Å; H775-S958 PolarHBondContact NE2-N 3.42Å
959	S	87.3	Confident	92.9	Very high	19 Å²	19	21.4 Å²	21.4	13%	0.133	11%	0.107	C	C	.	.	S	Bend	trans	-77.3	155	178.4	71.5	0	0	0	0	113	R957 L961 C962 H963	R957-S959 PolarHBondContact O-N 3.44Å; S959-L961 VanDerWaalsContact C-N 3.31Å; S959-L961 PolarHBondContact O-N 2.91Å; S959-C962 PolarHBondContact O-N 3.44Å; S959-C962 WeakPolarHBondContact OG-CB 3.28Å; S959-C962 PolarHBondContact OG-N 3.37Å; S959-C962 PolarHBondContact OG-SG 3.46Å; S959-H963 WeakPolarHBondContact O-CB 3.37Å; S959-H963 PolarHBondContact O-N 2.65Å
960	K	90.2	Very high	92.9	Very high	126 Å²	126	22.2 Å²	22.2	55%	0.548	11%	0.111	S	C	.	.	H	α-helix	trans	-57.6	-43	176.5	-67.8	173.2	-176.7	159.1	0	112.2	H963 L964	K960-H963 PolarHBondContact O-N 2.91Å; K960-L964 PolarHBondContact O-N 3.36Å
961	L	91	Very high	93.1	Very high	8 Å²	8	26 Å²	26	4%	0.042	13%	0.131	C	C	.	.	H	α-helix	trans	-61.8	-47.6	176.1	173.7	63.3	0	0	0	111.5	S959 H963 L964 L965 L1163 E1165	S959-L961 VanDerWaalsContact C-N 3.31Å; S959-L961 PolarHBondContact O-N 2.91Å; L961-H963 VanDerWaalsContact C-N 3.31Å; L961-H963 PolarHBondContact O-N 2.84Å; L961-L964 PolarHBondContact O-N 2.89Å; L961-L965 HydrophobicContact CD1-CD1 4.14Å; L961-L965 HydrophobicContact CD1-CG 4.09Å; L961-L965 HydrophobicContact CG-CD1 4.05Å; L961-L965 HydrophobicContact CG-CG 4.38Å; L961-L965 VanDerWaalsContact O-CG 3.32Å; L961-L965 WeakPolarHBondContact O-CG 3.28Å; L961-L965 PolarHBondContact O-N 3.03Å; L961-L1163 HydrophobicContact CD1-CB 3.73Å; L961-L1163 HydrophobicContact CD1-CD1 4.16Å; L961-L1163 HydrophobicContact CD2-CB 4.08Å; L961-L1163 WeakPolarHBondContact CD2-O 3.36Å; L961-E1165 HydrophobicContact CB-CG 3.87Å
962	C	93.2	Very high	93	Very high	4 Å²	4	26.6 Å²	26.6	3%	0.027	14%	0.137	C	C	.	.	H	α-helix	trans	-67.6	-34.9	-178.2	-67.5	0	0	0	0	111.5	S954 R957 S959 L965 R966	S954-C962 PolarHBondContact O-SG 3.28Å; R957-C962 WeakPolarHBondContact O-CB 3.39Å; S959-C962 PolarHBondContact O-N 3.44Å; S959-C962 WeakPolarHBondContact OG-CB 3.28Å; S959-C962 PolarHBondContact OG-N 3.37Å; S959-C962 PolarHBondContact OG-SG 3.46Å; C962-L965 PolarHBondContact O-N 3.18Å; C962-R966 VanDerWaalsContact C-NH1 3.33Å; C962-R966 WeakPolarHBondContact O-CG 3.49Å; C962-R966 PolarHBondContact O-N 2.63Å; C962-R966 PolarHBondContact O-NH1 3.29Å
963	H	93.8	Very high	92.8	Very high	93 Å²	93	31.6 Å²	31.6	43%	0.431	16%	0.156	S	C	.	.	H	α-helix	trans	-58.7	-51.7	170.1	175.1	55.9	0	0	0	111.8	S959 K960 L961 L965 R966 E967	S959-H963 WeakPolarHBondContact O-CB 3.37Å; S959-H963 PolarHBondContact O-N 2.65Å; K960-H963 PolarHBondContact O-N 2.91Å; L961-H963 VanDerWaalsContact C-N 3.31Å; L961-H963 PolarHBondContact O-N 2.84Å; H963-L965 VanDerWaalsContact C-N 3.32Å; H963-L965 PolarHBondContact O-N 3.42Å; H963-R966 PolarHBondContact O-N 3.01Å; H963-R966 VanDerWaalsContact O-N 3.13Å; H963-E967 IonicContact CE1-OE1 3.67Å; H963-E967 PolarHBondContact CE1-OE1 2.93Å; H963-E967 IonicContact NE2-OE1 2.67Å; H963-E967 PolarHBondContact NE2-OE1 3.29Å; H963-E967 PolarHBondContact O-N 3.45Å
964	L	92.6	Very high	92.5	Very high	44 Å²	44	36 Å²	36	23%	0.23	18%	0.179	C	C	.	.	H	α-helix	trans	-56.6	-44.6	175.1	175.8	64.5	0	0	0	111.9	K960 L961 R966 E967 L968	K960-L964 PolarHBondContact O-N 3.36Å; L961-L964 PolarHBondContact O-N 2.89Å; L964-R966 VanDerWaalsContact C-N 3.33Å; L964-R966 PolarHBondContact O-N 3.17Å; L964-E967 PolarHBondContact O-N 2.91Å; L964-L968 HydrophobicContact CD1-CD1 3.93Å; L964-L968 HydrophobicContact CD1-CG 4.13Å; L964-L968 HydrophobicContact CG-CD1 3.89Å; L964-L968 HydrophobicContact CG-CG 4.46Å; L964-L968 VanDerWaalsContact O-CG 3.25Å; L964-L968 WeakPolarHBondContact O-CG 3.16Å; L964-L968 PolarHBondContact O-N 3.28Å
965	L	95.1	Very high	92.3	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-64	-36.7	178.7	-69.5	176.7	0	0	0	112.2	L955 L961 C962 H963 L968 I969 L1160 L1161 F1178	L955-L965 HydrophobicContact CD1-CB 3.62Å; L961-L965 HydrophobicContact CD1-CD1 4.14Å; L961-L965 HydrophobicContact CD1-CG 4.09Å; L961-L965 HydrophobicContact CG-CD1 4.05Å; L961-L965 HydrophobicContact CG-CG 4.38Å; L961-L965 VanDerWaalsContact O-CG 3.32Å; L961-L965 WeakPolarHBondContact O-CG 3.28Å; L961-L965 PolarHBondContact O-N 3.03Å; C962-L965 PolarHBondContact O-N 3.18Å; H963-L965 VanDerWaalsContact C-N 3.32Å; H963-L965 PolarHBondContact O-N 3.42Å; L965-L968 PolarHBondContact O-N 3.18Å; L965-I969 HydrophobicContact CB-CD1 4.36Å; L965-I969 HydrophobicContact CD2-CD1 4.38Å; L965-I969 WeakPolarHBondContact O-CB 3.14Å; L965-I969 VanDerWaalsContact O-CG1 3.23Å; L965-I969 WeakPolarHBondContact O-CG1 3.35Å; L965-I969 PolarHBondContact O-N 3.46Å; L965-L1160 HydrophobicContact CD1-CB 4.07Å; L965-L1160 HydrophobicContact CD2-CB 4.18Å; L965-L1160 HydrophobicContact CD2-CD1 4.22Å; L965-L1161 HydrophobicContact CD1-CD2 4.46Å; L965-F1178 HydrophobicContact CD2-CE1 4.24Å
966	R	96.5	Very high	91.9	Very high	3 Å²	3	39.3 Å²	39.3	1%	0.011	20%	0.196	C	C	.	.	H	α-helix	trans	-65	-44.3	174.4	-71.7	-172.9	-57.4	-86.9	3.5	111.5	L955 R957 C962 H963 L964 L968 I969 I970 D971	L955-R966 HydrophobicContact CD1-CG 3.98Å; L955-R966 HydrophobicContact CG-CG 4.05Å; L955-R966 PolarHBondContact O-NH1 3.43Å; R957-R966 PolarHBondContact O-NH1 3.19Å; C962-R966 VanDerWaalsContact C-NH1 3.33Å; C962-R966 WeakPolarHBondContact O-CG 3.49Å; C962-R966 PolarHBondContact O-N 2.63Å; C962-R966 PolarHBondContact O-NH1 3.29Å; H963-R966 PolarHBondContact O-N 3.01Å; H963-R966 VanDerWaalsContact O-N 3.13Å; L964-R966 VanDerWaalsContact C-N 3.33Å; L964-R966 PolarHBondContact O-N 3.17Å; R966-L968 VanDerWaalsContact C-N 3.32Å; R966-L968 PolarHBondContact O-N 3.34Å; R966-I969 PolarHBondContact O-N 3Å; R966-I970 HydrophobicContact CB-CD1 4.25Å; R966-I970 HydrophobicContact CG-CD1 3.92Å; R966-I970 WeakPolarHBondContact O-CA 3.22Å; R966-I970 WeakPolarHBondContact O-CB 3.03Å; R966-I970 PolarHBondContact O-N 3.19Å; R966-D971 PolarHBondContact O-N 3.09Å; R966-D971 VanDerWaalsContact O-N 3.07Å
967	E	94.7	Very high	91.4	Very high	46 Å²	46	43 Å²	43	22%	0.215	21%	0.214	C	C	.	.	H	α-helix	trans	-58.3	-44.2	175.7	-69.2	-169.1	160.7	0	0	112.1	H963 L964 D971 G972 R973	H963-E967 IonicContact CE1-OE1 3.67Å; H963-E967 PolarHBondContact CE1-OE1 2.93Å; H963-E967 IonicContact NE2-OE1 2.67Å; H963-E967 PolarHBondContact NE2-OE1 3.29Å; H963-E967 PolarHBondContact O-N 3.45Å; L964-E967 PolarHBondContact O-N 2.91Å; E967-D971 WeakPolarHBondContact CA-OD2 3.13Å; E967-D971 CarbonylContact O-C 3.52Å; E967-D971 WeakPolarHBondContact O-CB 3.22Å; E967-G972 PolarHBondContact O-N 3.24Å; E967-G972 VanDerWaalsContact O-N 3.12Å; E967-R973 HydrophobicContact CB-CB 4.35Å; E967-R973 VanDerWaalsContact O-CB 3.26Å; E967-R973 WeakPolarHBondContact O-CB 3.29Å; E967-R973 PolarHBondContact O-N 2.87Å; E967-R973 IonicContact OE2-CZ 2.89Å; E967-R973 IonicContact OE2-NH1 2.8Å; E967-R973 PolarHBondContact OE2-NH1 3.09Å
968	L	93.8	Very high	90.9	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-73.9	-41	-177.2	-63.7	171.9	0	0	0	112.7	L964 L965 R966 R973 Y1013 F1178 L1209	L964-L968 HydrophobicContact CD1-CD1 3.93Å; L964-L968 HydrophobicContact CD1-CG 4.13Å; L964-L968 HydrophobicContact CG-CD1 3.89Å; L964-L968 HydrophobicContact CG-CG 4.46Å; L964-L968 VanDerWaalsContact O-CG 3.25Å; L964-L968 WeakPolarHBondContact O-CG 3.16Å; L964-L968 PolarHBondContact O-N 3.28Å; L965-L968 PolarHBondContact O-N 3.18Å; R966-L968 VanDerWaalsContact C-N 3.32Å; R966-L968 PolarHBondContact O-N 3.34Å; L968-R973 HydrophobicContact CD2-CB 4.31Å; L968-R973 HydrophobicContact CD2-CG 4.43Å; L968-Y1013 HydrophobicContact CD2-CD1 4.17Å; L968-Y1013 HydrophobicContact CD2-CE1 4.15Å; L968-F1178 HydrophobicContact CD1-CE1 4.04Å; L968-L1209 WeakPolarHBondContact O-CD2 3.11Å
969	I	95.6	Very high	90.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-94.6	-44.1	-168.7	-62.5	175.8	0	0	0	112.3	F783 L965 R966 F1153 L1157 L1160 L1205 L1208	F783-I969 HydrophobicContact CZ-CG2 4.23Å; L965-I969 HydrophobicContact CB-CD1 4.36Å; L965-I969 HydrophobicContact CD2-CD1 4.38Å; L965-I969 WeakPolarHBondContact O-CB 3.14Å; L965-I969 VanDerWaalsContact O-CG1 3.23Å; L965-I969 WeakPolarHBondContact O-CG1 3.35Å; L965-I969 PolarHBondContact O-N 3.46Å; R966-I969 PolarHBondContact O-N 3Å; I969-F1153 HydrophobicContact CD1-CE2 4.36Å; I969-F1153 HydrophobicContact CG2-CD2 4.39Å; I969-F1153 HydrophobicContact CG2-CE2 3.48Å; I969-F1153 VanDerWaalsContact CG2-CE2 3.48Å; I969-F1153 HydrophobicContact CG2-CZ 3.86Å; I969-L1157 HydrophobicContact CD1-CD2 3.82Å; I969-L1160 HydrophobicContact CD1-CD1 4Å; I969-L1205 HydrophobicContact CD1-CD1 4.19Å; I969-L1205 HydrophobicContact CG1-CD1 4.03Å; I969-L1205 HydrophobicContact CG2-CD1 3.93Å; I969-L1208 HydrophobicContact CG2-CD2 4.06Å
970	I	95.5	Very high	90	Very high	17 Å²	17	54.6 Å²	54.6	9%	0.087	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-50.8	-174.8	-53.1	179.8	0	0	0	109.2	H780 F783 L955 M956 R966 G972	H780-I970 HydrophobicContact CB-CD1 4.36Å; F783-I970 HydrophobicContact CB-CD1 4.18Å; F783-I970 HydrophobicContact CB-CG2 3.98Å; F783-I970 HydrophobicContact CD1-CD1 3.6Å; F783-I970 HydrophobicContact CD1-CG1 3.81Å; F783-I970 HydrophobicContact CD2-CB 4.46Å; F783-I970 HydrophobicContact CD2-CG1 4.08Å; F783-I970 HydrophobicContact CD2-CG2 3.97Å; F783-I970 HydrophobicContact CE1-CD1 4.06Å; F783-I970 HydrophobicContact CE1-CG1 3.91Å; F783-I970 HydrophobicContact CE2-CG1 4.16Å; F783-I970 HydrophobicContact CG-CD1 3.89Å; F783-I970 HydrophobicContact CG-CG1 3.9Å; F783-I970 HydrophobicContact CG-CG2 4.01Å; F783-I970 HydrophobicContact CZ-CG1 4.08Å; L955-I970 HydrophobicContact CD2-CD1 4.22Å; M956-I970 HydrophobicContact CE-CD1 3.87Å; R966-I970 HydrophobicContact CB-CD1 4.25Å; R966-I970 HydrophobicContact CG-CD1 3.92Å; R966-I970 WeakPolarHBondContact O-CA 3.22Å; R966-I970 WeakPolarHBondContact O-CB 3.03Å; R966-I970 PolarHBondContact O-N 3.19Å; I970-G972 VanDerWaalsContact C-N 3.26Å; I970-G972 PolarHBondContact O-N 3.36Å
971	D	94.4	Very high	89.5	Confident	84 Å²	84	50 Å²	50	45%	0.449	25%	0.249	S	C	.	.	S	Bend	trans	-81.2	-11.7	-175.7	-47.9	-31.2	0	0	0	111.8	H780 R966 E967	H780-D971 IonicContact CD2-OD1 3.87Å; H780-D971 PolarHBondContact CD2-OD1 3.26Å; H780-D971 IonicContact CE1-OD2 3.15Å; H780-D971 IonicContact NE2-OD1 3.26Å; H780-D971 PolarHBondContact NE2-OD1 2.88Å; H780-D971 IonicContact NE2-OD2 3.18Å; H780-D971 PolarHBondContact NE2-OD2 3.36Å; H780-D971 VanDerWaalsContact NE2-OD2 3.11Å; R966-D971 PolarHBondContact O-N 3.09Å; R966-D971 VanDerWaalsContact O-N 3.07Å; E967-D971 WeakPolarHBondContact CA-OD2 3.13Å; E967-D971 CarbonylContact O-C 3.52Å; E967-D971 WeakPolarHBondContact O-CB 3.22Å
972	G	91.1	Very high	89.2	Confident	12 Å²	12	52.6 Å²	52.6	12%	0.124	27%	0.268	C	S	.	.			trans	74.2	23.7	173	0	0	0	0	0	114.5	E967 I970 I974 H1213	E967-G972 PolarHBondContact O-N 3.24Å; E967-G972 VanDerWaalsContact O-N 3.12Å; I970-G972 VanDerWaalsContact C-N 3.26Å; I970-G972 PolarHBondContact O-N 3.36Å; G972-I974 PolarHBondContact O-N 3.32Å; G972-H1213 PolarHBondContact O-CE1 3.01Å; G972-H1213 VanDerWaalsContact O-CE1 3.24Å
973	R	90.1	Very high	88.7	Confident	106 Å²	106	58.5 Å²	58.5	40%	0.4	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-56.5	126.1	178.1	-179.6	178.2	171.3	-175.6	-1.5	111.2	E967 L968 D976	E967-R973 HydrophobicContact CB-CB 4.35Å; E967-R973 VanDerWaalsContact O-CB 3.26Å; E967-R973 WeakPolarHBondContact O-CB 3.29Å; E967-R973 PolarHBondContact O-N 2.87Å; E967-R973 IonicContact OE2-CZ 2.89Å; E967-R973 IonicContact OE2-NH1 2.8Å; E967-R973 PolarHBondContact OE2-NH1 3.09Å; L968-R973 HydrophobicContact CD2-CB 4.31Å; L968-R973 HydrophobicContact CD2-CG 4.43Å; R973-D976 IonicContact CZ-OD2 2.8Å; R973-D976 IonicContact NH2-OD2 2.68Å; R973-D976 PolarHBondContact NH2-OD2 3.33Å
974	I	87.9	Confident	88.4	Confident	94 Å²	94	61.2 Å²	61.2	48%	0.482	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-67.8	138.5	172.5	-64.1	172.6	0	0	0	108.8	G972 H1213 Y1233	G972-I974 PolarHBondContact O-N 3.32Å; I974-H1213 WeakPolarHBondContact CG1-CE1 3.25Å; I974-Y1233 HydrophobicContact CG2-CD1 4.01Å; I974-Y1233 HydrophobicContact CG2-CE1 4.47Å
975	P	87.6	Confident	88.1	Confident	5 Å²	5	61.1 Å²	61.1	3%	0.032	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-72.2	139.4	179.9	30.8	-33.9	0	0	0	110.8	Y1013 Y1233	P975-Y1013 HydrophobicContact CB-CD1 4.01Å; P975-Y1013 HydrophobicContact CB-CE1 4.15Å; P975-Y1013 HydrophobicContact CG-CD1 4.02Å; P975-Y1013 HydrophobicContact CG-CE1 3.88Å; P975-Y1013 HydrophobicContact CG-CE2 4.37Å; P975-Y1013 HydrophobicContact CG-CG 4.34Å; P975-Y1013 WeakPolarHBondContact CG-O 3.47Å; P975-Y1233 HydrophobicContact CG-CG 4.22Å
976	D	84.5	Confident	87.7	Confident	71 Å²	71	62.9 Å²	62.9	38%	0.38	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-67.6	142.7	176.3	-66.4	-54.5	0	0	0	110.9	R973 Q1011	R973-D976 IonicContact CZ-OD2 2.8Å; R973-D976 IonicContact NH2-OD2 2.68Å; R973-D976 PolarHBondContact NH2-OD2 3.33Å; D976-Q1011 HydrophobicContact CB-CB 4.37Å; D976-Q1011 HydrophobicContact CB-CG 4.39Å; D976-Q1011 WeakPolarHBondContact O-CB 3.29Å; D976-Q1011 WeakPolarHBondContact O-CG 3.45Å; D976-Q1011 PolarHBondContact O-N 3.46Å
977	M	83.9	Confident	87.4	Confident	76 Å²	76	70.8 Å²	70.8	37%	0.374	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-107.8	131.3	-179.2	-64	-66.4	-79.4	0	0	110.7	F1009 G1232	M977-F1009 HydrophobicContact CE-CB 3.78Å; M977-G1232 WeakPolarHBondContact CE-O 3.39Å
978	L	80.1	Confident	87.1	Confident	35 Å²	35	72.6 Å²	72.6	18%	0.183	36%	0.357	C	S	.	.			trans	-64.2	137	169.2	-69.1	166.6	0	0	0	109.9	L1008 F1009 Q1011 I1173	L978-L1008 WeakPolarHBondContact CD1-O 3.05Å; L978-F1009 HydrophobicContact CB-CD1 4.2Å; L978-F1009 WeakPolarHBondContact CB-O 3.29Å; L978-F1009 WeakPolarHBondContact CG-O 3.37Å; L978-F1009 PolarHBondContact N-O 3.05Å; L978-F1009 VanDerWaalsContact O-CD1 3.29Å; L978-F1009 WeakPolarHBondContact O-CD1 3.45Å; L978-Q1011 HydrophobicContact CD2-CG 4.32Å; L978-Q1011 HydrophobicContact CG-CG 4.04Å; L978-I1173 HydrophobicContact CD1-CD1 3.57Å; L978-I1173 HydrophobicContact CD1-CG1 4.3Å; L978-I1173 HydrophobicContact CD2-CD1 4.27Å; L978-I1173 HydrophobicContact CD2-CG1 4.39Å
979	K	78.7	Confident	87.1	Confident	202 Å²	202	72.6 Å²	72.6	88%	0.878	36%	0.357	S	S	*	.	S	Bend	trans	-74	-35.9	-179.8	-63.5	-175.8	179.2	-178.2	0	112.8
980	T	79.7	Confident	86.8	Confident	117 Å²	117	76.4 Å²	76.4	72%	0.718	37%	0.371	S	S	*	.			trans	-147.4	152.6	-176.4	57.3	0	0	0	0	111.4
981	I	80.3	Confident	86.7	Confident	31 Å²	31	80 Å²	80	16%	0.159	40%	0.395	C	S	.	.			trans	-109.5	140.1	169	-66.5	166.4	0	0	0	107.6	K983 I985 V986 L1008 F1009	I981-K983 PolarHBondContact O-N 2.76Å; I981-I985 HydrophobicContact CG2-CB 3.8Å; I981-I985 HydrophobicContact CG2-CD1 4.3Å; I981-I985 HydrophobicContact CG2-CG2 3.64Å; I981-V986 HydrophobicContact CB-CG2 4.42Å; I981-V986 HydrophobicContact CG2-CG2 4.01Å; I981-L1008 HydrophobicContact CD1-CB 3.78Å; I981-L1008 HydrophobicContact CD1-CD1 4.33Å; I981-F1009 HydrophobicContact CB-CE1 4.34Å; I981-F1009 HydrophobicContact CD1-CD1 3.83Å; I981-F1009 HydrophobicContact CD1-CD2 3.97Å; I981-F1009 HydrophobicContact CD1-CE1 3.56Å; I981-F1009 HydrophobicContact CD1-CE2 3.65Å; I981-F1009 HydrophobicContact CD1-CG 4.04Å; I981-F1009 HydrophobicContact CD1-CZ 3.44Å; I981-F1009 VanDerWaalsContact CD1-CZ 3.44Å; I981-F1009 HydrophobicContact CG1-CD1 3.84Å; I981-F1009 HydrophobicContact CG1-CE1 3.47Å; I981-F1009 VanDerWaalsContact CG1-CE1 3.47Å; I981-F1009 HydrophobicContact CG1-CE2 4.49Å; I981-F1009 HydrophobicContact CG1-CZ 3.83Å
982	S	83.8	Confident	86.7	Confident	62 Å²	62	76.6 Å²	76.6	43%	0.434	38%	0.377	S	S	.	.			trans	-58.8	138.3	179.9	77.7	0	0	0	0	111.4	K984 I985 V986	S982-K984 PolarHBondContact O-N 3.45Å; S982-K984 VanDerWaalsContact O-N 3.1Å; S982-I985 PolarHBondContact O-N 3.32Å; S982-I985 VanDerWaalsContact OG-CD1 3.31Å; S982-I985 WeakPolarHBondContact OG-CD1 3.3Å; S982-I985 VanDerWaalsContact OG-CG1 3.23Å; S982-I985 WeakPolarHBondContact OG-CG1 3.16Å; S982-I985 PolarHBondContact OG-N 3.01Å; S982-V986 PolarHBondContact O-N 3.37Å
983	K	83.5	Confident	86.8	Confident	128 Å²	128	76.8 Å²	76.8	56%	0.557	38%	0.375	S	S	*	.	H	α-helix	trans	-56.1	-30.4	178.1	-66.5	-176	179.7	179.1	0	112.6	L260 I981 V986 K987	L260-K983 HydrophobicContact CD1-CD 4.36Å; L260-K983 HydrophobicContact CD2-CD 4Å; L260-K983 HydrophobicContact CG-CD 4.47Å; I981-K983 PolarHBondContact O-N 2.76Å; K983-V986 PolarHBondContact O-N 2.93Å; K983-K987 PolarHBondContact O-N 2.87Å; K983-K987 VanDerWaalsContact O-N 3.09Å
984	K	86.6	Confident	86.9	Confident	149 Å²	149	79.5 Å²	79.5	65%	0.648	39%	0.39	S	S	*	.	H	α-helix	trans	-61	-50	174.9	-177.1	180	175.7	-177.6	0	111.6	S982 V986 K987 E988	S982-K984 PolarHBondContact O-N 3.45Å; S982-K984 VanDerWaalsContact O-N 3.1Å; K984-V986 VanDerWaalsContact C-N 3.34Å; K984-V986 PolarHBondContact O-N 3.27Å; K984-K987 PolarHBondContact O-N 3.48Å; K984-E988 WeakPolarHBondContact CE-OE1 3.32Å; K984-E988 WeakPolarHBondContact O-CG 3.11Å; K984-E988 PolarHBondContact O-N 3.2Å; K984-E988 VanDerWaalsContact O-N 3.12Å
985	I	86.5	Confident	87.1	Confident	42 Å²	42	79.9 Å²	79.9	22%	0.215	40%	0.398	C	S	.	.	H	α-helix	trans	-60.3	-46.1	178.1	-70.4	167	0	0	0	110.3	I981 S982 K987 E988 I989 L1038	I981-I985 HydrophobicContact CG2-CB 3.8Å; I981-I985 HydrophobicContact CG2-CD1 4.3Å; I981-I985 HydrophobicContact CG2-CG2 3.64Å; S982-I985 PolarHBondContact O-N 3.32Å; S982-I985 VanDerWaalsContact OG-CD1 3.31Å; S982-I985 WeakPolarHBondContact OG-CD1 3.3Å; S982-I985 VanDerWaalsContact OG-CG1 3.23Å; S982-I985 WeakPolarHBondContact OG-CG1 3.16Å; S982-I985 PolarHBondContact OG-N 3.01Å; I985-K987 VanDerWaalsContact C-N 3.27Å; I985-K987 PolarHBondContact O-N 3.23Å; I985-E988 PolarHBondContact O-N 2.79Å; I985-E988 VanDerWaalsContact O-N 3.09Å; I985-I989 HydrophobicContact CG2-CD1 4.39Å; I985-I989 HydrophobicContact CG2-CG2 4.2Å; I985-I989 WeakPolarHBondContact O-CG1 3.41Å; I985-I989 WeakPolarHBondContact O-CG2 3.12Å; I985-I989 PolarHBondContact O-N 2.82Å; I985-L1038 HydrophobicContact CB-CD2 4.45Å; I985-L1038 HydrophobicContact CD1-CD2 4.03Å; I985-L1038 HydrophobicContact CG1-CD2 3.86Å; I985-L1038 HydrophobicContact CG2-CD2 3.83Å
986	V	87.5	Confident	87.4	Confident	38 Å²	38	79.9 Å²	79.9	23%	0.23	40%	0.398	C	S	.	.	H	α-helix	trans	-57.1	-42.6	179.4	178.9	0	0	0	0	111.3	I981 S982 K983 K984 E988 I989 R990	I981-V986 HydrophobicContact CB-CG2 4.42Å; I981-V986 HydrophobicContact CG2-CG2 4.01Å; S982-V986 PolarHBondContact O-N 3.37Å; K983-V986 PolarHBondContact O-N 2.93Å; K984-V986 VanDerWaalsContact C-N 3.34Å; K984-V986 PolarHBondContact O-N 3.27Å; V986-E988 PolarHBondContact O-N 2.73Å; V986-I989 WeakPolarHBondContact O-CG1 3.35Å; V986-R990 WeakPolarHBondContact O-CB 3.1Å; V986-R990 PolarHBondContact O-N 2.91Å
987	K	89.2	Confident	87.9	Confident	170 Å²	170	77.4 Å²	77.4	74%	0.739	39%	0.385	S	S	*	.	H	α-helix	trans	-63.8	-39.9	177.1	-171.1	175.1	-179.7	175.8	0	112.4	K983 K984 I985	K983-K987 PolarHBondContact O-N 2.87Å; K983-K987 VanDerWaalsContact O-N 3.09Å; K984-K987 PolarHBondContact O-N 3.48Å; I985-K987 VanDerWaalsContact C-N 3.27Å; I985-K987 PolarHBondContact O-N 3.23Å
988	E	89.2	Confident	88.3	Confident	84 Å²	84	76.9 Å²	76.9	39%	0.393	39%	0.389	S	S	.	.	H	α-helix	trans	-72.9	-35.6	-178.6	-70.4	175.1	-173.3	0	0	113.2	K984 I985 V986 P991 L1037	K984-E988 WeakPolarHBondContact CE-OE1 3.32Å; K984-E988 WeakPolarHBondContact O-CG 3.11Å; K984-E988 PolarHBondContact O-N 3.2Å; K984-E988 VanDerWaalsContact O-N 3.12Å; I985-E988 PolarHBondContact O-N 2.79Å; I985-E988 VanDerWaalsContact O-N 3.09Å; V986-E988 PolarHBondContact O-N 2.73Å; E988-P991 WeakPolarHBondContact O-CD 3.3Å; E988-L1037 HydrophobicContact CB-CD1 4.29Å; E988-L1037 HydrophobicContact CB-CD2 3.84Å
989	I	92.5	Very high	89	Confident	1 Å²	1	76.8 Å²	76.8	1%	0.005	39%	0.388	C	S	.	.	H	α-helix	trans	-83	-19.6	-178.8	67.9	-178.9	0	0	0	113.4	I985 V986 P991 I992 L993 L1005 L1008 V1034 L1037	I985-I989 HydrophobicContact CG2-CD1 4.39Å; I985-I989 HydrophobicContact CG2-CG2 4.2Å; I985-I989 WeakPolarHBondContact O-CG1 3.41Å; I985-I989 WeakPolarHBondContact O-CG2 3.12Å; I985-I989 PolarHBondContact O-N 2.82Å; V986-I989 WeakPolarHBondContact O-CG1 3.35Å; I989-P991 VanDerWaalsContact C-CD 3.44Å; I989-I992 WeakPolarHBondContact O-CB 3.48Å; I989-I992 PolarHBondContact O-N 2.79Å; I989-L993 HydrophobicContact CD1-CD1 3.89Å; I989-L993 HydrophobicContact CG1-CD1 3.93Å; I989-L993 PolarHBondContact O-N 3.38Å; I989-L993 VanDerWaalsContact O-N 3.15Å; I989-L1005 HydrophobicContact CD1-CD2 4.05Å; I989-L1008 HydrophobicContact CD1-CD1 3.9Å; I989-V1034 HydrophobicContact CB-CG2 4.11Å; I989-V1034 HydrophobicContact CG2-CB 4.47Å; I989-V1034 HydrophobicContact CG2-CG1 3.83Å; I989-V1034 HydrophobicContact CG2-CG2 4.09Å; I989-L1037 HydrophobicContact CG2-CD2 4.28Å
990	R	91.2	Very high	89.8	Confident	80 Å²	80	67.5 Å²	67.5	30%	0.302	35%	0.348	S	S	.	.	H	α-helix	trans	-51.9	-41.8	-175.7	-175.4	168.5	172.8	-172.3	-16.2	114.7	L254 V255 V986 I992 L993 K994	L254-R990 VanDerWaalsContact O-CZ 3.25Å; L254-R990 PolarHBondContact O-NH1 3.45Å; V255-R990 VanDerWaalsContact O-CZ 3.27Å; V255-R990 PolarHBondContact O-NH2 2.94Å; V986-R990 WeakPolarHBondContact O-CB 3.1Å; V986-R990 PolarHBondContact O-N 2.91Å; R990-I992 VanDerWaalsContact C-N 3.27Å; R990-I992 PolarHBondContact O-N 2.87Å; R990-L993 PolarHBondContact O-N 2.82Å; R990-K994 PolarHBondContact O-N 3.47Å
991	P	93.4	Very high	90.5	Very high	92 Å²	92	65.3 Å²	65.3	60%	0.597	33%	0.327	S	S	*	.	H	α-helix	trans	-62.8	-31.5	176.4	-22.3	34.7	0	0	0	113.7	E988 I989	E988-P991 WeakPolarHBondContact O-CD 3.3Å; I989-P991 VanDerWaalsContact C-CD 3.44Å
992	I	93	Very high	91.1	Very high	13 Å²	13	65.4 Å²	65.4	7%	0.067	33%	0.332	C	S	.	.	H	α-helix	trans	-75.3	-36.1	178.2	-58.8	167	0	0	0	110.3	I989 R990 P995 A1030 R1033 V1034 L1037	I989-I992 WeakPolarHBondContact O-CB 3.48Å; I989-I992 PolarHBondContact O-N 2.79Å; R990-I992 VanDerWaalsContact C-N 3.27Å; R990-I992 PolarHBondContact O-N 2.87Å; I992-P995 WeakPolarHBondContact O-CD 3.14Å; I992-A1030 HydrophobicContact CG2-CB 3.95Å; I992-R1033 HydrophobicContact CD1-CB 4.06Å; I992-R1033 HydrophobicContact CG2-CB 4.24Å; I992-V1034 HydrophobicContact CB-CG2 4.28Å; I992-V1034 HydrophobicContact CD1-CG2 4.06Å; I992-V1034 HydrophobicContact CG2-CG2 4Å; I992-L1037 HydrophobicContact CD1-CD1 4.24Å
993	L	93.4	Very high	91.5	Very high	17 Å²	17	62.5 Å²	62.5	9%	0.089	31%	0.312	C	S	.	.	H	α-helix	trans	-80.6	-27.7	-178.2	-63.3	-176	0	0	0	114.1	I989 R990 P995 L996 R1001 I1004 L1005	I989-L993 HydrophobicContact CD1-CD1 3.89Å; I989-L993 HydrophobicContact CG1-CD1 3.93Å; I989-L993 PolarHBondContact O-N 3.38Å; I989-L993 VanDerWaalsContact O-N 3.15Å; R990-L993 PolarHBondContact O-N 2.82Å; L993-P995 VanDerWaalsContact C-CD 3.49Å; L993-L996 HydrophobicContact CD2-CD1 4.14Å; L993-L996 WeakPolarHBondContact O-CB 3.38Å; L993-L996 PolarHBondContact O-N 2.77Å; L993-L996 VanDerWaalsContact O-N 3.08Å; L993-R1001 HydrophobicContact CB-CG 4.28Å; L993-R1001 PolarHBondContact O-NE 3.15Å; L993-I1004 HydrophobicContact CD2-CB 4.03Å; L993-I1004 HydrophobicContact CD2-CD1 3.59Å; L993-I1004 HydrophobicContact CD2-CG1 4.42Å; L993-I1004 HydrophobicContact CD2-CG2 3.85Å; L993-L1005 HydrophobicContact CD1-CD2 4.06Å; L993-L1005 HydrophobicContact CD1-CG 4.38Å
994	K	92.4	Very high	92.1	Very high	163 Å²	163	56.4 Å²	56.4	71%	0.709	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-45.4	-177.1	-169.9	177.5	-177.6	179.7	0	115.3	R990 L996	R990-K994 PolarHBondContact O-N 3.47Å; K994-L996 VanDerWaalsContact C-N 3.26Å; K994-L996 PolarHBondContact O-N 3.42Å
995	P	92.6	Very high	92.3	Very high	101 Å²	101	50.2 Å²	50.2	66%	0.656	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-11.5	-179.3	29.7	-36.5	0	0	0	114.4	I992 L993	I992-P995 WeakPolarHBondContact O-CD 3.14Å; L993-P995 VanDerWaalsContact C-CD 3.49Å
996	L	93.8	Very high	92.5	Very high	5 Å²	5	51 Å²	51	3%	0.026	26%	0.262	C	S	.	.	S	Bend	trans	-85	157.2	-175.2	-59.7	179.2	0	0	0	112.2	L993 K994 Q1000 R1001 I1004 E1026 A1030	L993-L996 HydrophobicContact CD2-CD1 4.14Å; L993-L996 WeakPolarHBondContact O-CB 3.38Å; L993-L996 PolarHBondContact O-N 2.77Å; L993-L996 VanDerWaalsContact O-N 3.08Å; K994-L996 VanDerWaalsContact C-N 3.26Å; K994-L996 PolarHBondContact O-N 3.42Å; L996-Q1000 HydrophobicContact CB-CB 3.9Å; L996-Q1000 HydrophobicContact CD1-CB 4.26Å; L996-Q1000 HydrophobicContact CD2-CB 4.48Å; L996-Q1000 HydrophobicContact CG-CB 4.46Å; L996-R1001 HydrophobicContact CB-CG 4Å; L996-R1001 PolarHBondContact O-NE 2.76Å; L996-R1001 PolarHBondContact O-NH2 3.42Å; L996-I1004 HydrophobicContact CD1-CD1 3.32Å; L996-E1026 HydrophobicContact CD2-CG 4.08Å; L996-A1030 HydrophobicContact CD1-CB 3.62Å; L996-A1030 HydrophobicContact CD2-CB 4.31Å; L996-A1030 HydrophobicContact CG-CB 4.43Å
997	N	94.4	Very high	92.7	Very high	19 Å²	19	49.3 Å²	49.3	10%	0.102	25%	0.252	C	S	.	.			trans	-77.3	169.6	171.2	71.1	48.4	0	0	0	112.2	N999 Q1000 R1001 I1239 Y1241	N997-N999 PolarHBondContact O-N 2.88Å; N997-N999 WeakPolarHBondContact OD1-CB 3.49Å; N997-N999 PolarHBondContact OD1-N 2.73Å; N997-N999 VanDerWaalsContact OD1-N 3.12Å; N997-Q1000 VanDerWaalsContact ND2-CD 3.34Å; N997-Q1000 PolarHBondContact ND2-OE1 3.33Å; N997-Q1000 PolarHBondContact O-N 2.89Å; N997-Q1000 VanDerWaalsContact OD1-CG 3.3Å; N997-Q1000 WeakPolarHBondContact OD1-CG 2.9Å; N997-Q1000 PolarHBondContact OD1-N 2.77Å; N997-R1001 WeakPolarHBondContact O-CG 3.37Å; N997-R1001 PolarHBondContact O-N 3.12Å; N997-I1239 HydrophobicContact CB-CD1 4.1Å; N997-Y1241 PolarHBondContact ND2-OH 3.26Å
998	S	92.6	Very high	92.7	Very high	65 Å²	65	41.7 Å²	41.7	46%	0.455	22%	0.219	S	C	.	.	H	α-helix	trans	-54.6	-47.8	-177.6	48.6	0	0	0	0	113	Q1000 R1001 A1002	S998-Q1000 PolarHBondContact O-N 2.87Å; S998-R1001 PolarHBondContact O-N 2.86Å; S998-A1002 WeakPolarHBondContact O-CB 3.12Å; S998-A1002 PolarHBondContact O-N 3.48Å
999	N	94.3	Very high	92.7	Very high	33 Å²	33	39.9 Å²	39.9	18%	0.176	21%	0.21	C	C	.	.	H	α-helix	trans	-62.5	-41.9	-179.6	-59.2	-7.8	0	0	0	112.3	N997 A1002 A1003 L1237 T1238 I1239	N997-N999 PolarHBondContact O-N 2.88Å; N997-N999 WeakPolarHBondContact OD1-CB 3.49Å; N997-N999 PolarHBondContact OD1-N 2.73Å; N997-N999 VanDerWaalsContact OD1-N 3.12Å; N999-A1002 PolarHBondContact O-N 3.01Å; N999-A1003 WeakPolarHBondContact O-CB 3.49Å; N999-A1003 PolarHBondContact O-N 2.88Å; N999-L1237 HydrophobicContact CB-CD2 4.18Å; N999-T1238 PolarHBondContact ND2-N 3.22Å; N999-T1238 PolarHBondContact ND2-OG1 2.95Å; N999-I1239 PolarHBondContact ND2-N 3.47Å
1000	Q	95.5	Very high	92.6	Very high	8 Å²	8	39.9 Å²	39.9	4%	0.037	21%	0.21	C	C	.	.	H	α-helix	trans	-66.3	-40.8	178.2	-67.2	176.2	-37.9	0	0	111.3	L996 N997 S998 A1003 I1004 T1027 L1237	L996-Q1000 HydrophobicContact CB-CB 3.9Å; L996-Q1000 HydrophobicContact CD1-CB 4.26Å; L996-Q1000 HydrophobicContact CD2-CB 4.48Å; L996-Q1000 HydrophobicContact CG-CB 4.46Å; N997-Q1000 VanDerWaalsContact ND2-CD 3.34Å; N997-Q1000 PolarHBondContact ND2-OE1 3.33Å; N997-Q1000 PolarHBondContact O-N 2.89Å; N997-Q1000 VanDerWaalsContact OD1-CG 3.3Å; N997-Q1000 WeakPolarHBondContact OD1-CG 2.9Å; N997-Q1000 PolarHBondContact OD1-N 2.77Å; S998-Q1000 PolarHBondContact O-N 2.87Å; Q1000-A1003 PolarHBondContact O-N 2.74Å; Q1000-I1004 WeakPolarHBondContact O-CG1 3.26Å; Q1000-I1004 PolarHBondContact O-N 3.18Å; Q1000-I1004 VanDerWaalsContact O-N 3.15Å; Q1000-T1027 HydrophobicContact CB-CG2 4.31Å; Q1000-T1027 HydrophobicContact CG-CG2 4.49Å; Q1000-T1027 WeakPolarHBondContact CG-OG1 3.46Å; Q1000-T1027 PolarHBondContact NE2-OG1 3.46Å; Q1000-L1237 HydrophobicContact CG-CD2 4.23Å
1001	R	95.2	Very high	92.3	Very high	71 Å²	71	38.9 Å²	38.9	27%	0.268	21%	0.209	S	C	.	.	H	α-helix	trans	-63.2	-47.2	173.9	-65.8	178.1	-146.8	155.1	5.3	111.1	L993 L996 N997 S998 A1003 I1004 L1005	L993-R1001 HydrophobicContact CB-CG 4.28Å; L993-R1001 PolarHBondContact O-NE 3.15Å; L996-R1001 HydrophobicContact CB-CG 4Å; L996-R1001 PolarHBondContact O-NE 2.76Å; L996-R1001 PolarHBondContact O-NH2 3.42Å; N997-R1001 WeakPolarHBondContact O-CG 3.37Å; N997-R1001 PolarHBondContact O-N 3.12Å; S998-R1001 PolarHBondContact O-N 2.86Å; R1001-A1003 VanDerWaalsContact C-N 3.32Å; R1001-A1003 PolarHBondContact O-N 3.46Å; R1001-I1004 PolarHBondContact O-N 2.77Å; R1001-L1005 WeakPolarHBondContact O-CB 3.32Å; R1001-L1005 WeakPolarHBondContact O-CG 3.37Å; R1001-L1005 PolarHBondContact O-N 2.79Å
1002	A	91.7	Very high	92.2	Very high	33 Å²	33	35 Å²	35	27%	0.273	18%	0.184	S	C	.	.	H	α-helix	trans	-58.1	-44.6	177.4	0	0	0	0	0	111.3	S998 N999 I1004 L1005 Q1006	S998-A1002 WeakPolarHBondContact O-CB 3.12Å; S998-A1002 PolarHBondContact O-N 3.48Å; N999-A1002 PolarHBondContact O-N 3.01Å; A1002-I1004 PolarHBondContact O-N 3.41Å; A1002-L1005 PolarHBondContact O-N 3.42Å; A1002-Q1006 VanDerWaalsContact O-CB 3.31Å; A1002-Q1006 WeakPolarHBondContact O-CB 3.49Å; A1002-Q1006 VanDerWaalsContact O-CG 3.3Å; A1002-Q1006 WeakPolarHBondContact O-CG 3.17Å; A1002-Q1006 PolarHBondContact O-N 2.89Å
1003	A	93.9	Very high	92.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.2	-43.8	177.2	0	0	0	0	0	112.8	N999 Q1000 R1001 T1007 I1016 T1027 T1235 L1237	N999-A1003 WeakPolarHBondContact O-CB 3.49Å; N999-A1003 PolarHBondContact O-N 2.88Å; Q1000-A1003 PolarHBondContact O-N 2.74Å; R1001-A1003 VanDerWaalsContact C-N 3.32Å; R1001-A1003 PolarHBondContact O-N 3.46Å; A1003-T1007 WeakPolarHBondContact O-CB 3.34Å; A1003-T1007 PolarHBondContact O-N 2.76Å; A1003-T1007 PolarHBondContact O-OG1 3.16Å; A1003-I1016 HydrophobicContact CB-CD1 4.46Å; A1003-T1027 HydrophobicContact CB-CG2 4.22Å; A1003-T1235 HydrophobicContact CB-CG2 3.49Å; A1003-T1235 VanDerWaalsContact CB-CG2 3.49Å; A1003-L1237 HydrophobicContact CB-CD2 3.95Å
1004	I	94.4	Very high	92.3	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-67.4	-46	177.8	-65.1	166.9	0	0	0	110.6	L993 L996 Q1000 R1001 A1002 T1007 L1008 T1027 A1030 L1031 V1034	L993-I1004 HydrophobicContact CD2-CB 4.03Å; L993-I1004 HydrophobicContact CD2-CD1 3.59Å; L993-I1004 HydrophobicContact CD2-CG1 4.42Å; L993-I1004 HydrophobicContact CD2-CG2 3.85Å; L996-I1004 HydrophobicContact CD1-CD1 3.32Å; Q1000-I1004 WeakPolarHBondContact O-CG1 3.26Å; Q1000-I1004 PolarHBondContact O-N 3.18Å; Q1000-I1004 VanDerWaalsContact O-N 3.15Å; R1001-I1004 PolarHBondContact O-N 2.77Å; A1002-I1004 PolarHBondContact O-N 3.41Å; I1004-T1007 WeakPolarHBondContact O-CB 3.48Å; I1004-T1007 PolarHBondContact O-N 2.74Å; I1004-L1008 WeakPolarHBondContact O-CG 3.2Å; I1004-L1008 PolarHBondContact O-N 3.39Å; I1004-L1008 VanDerWaalsContact O-N 3.1Å; I1004-T1027 HydrophobicContact CG1-CG2 4.26Å; I1004-A1030 HydrophobicContact CD1-CB 3.64Å; I1004-L1031 HydrophobicContact CG1-CB 4.2Å; I1004-L1031 HydrophobicContact CG2-CD1 4.19Å; I1004-V1034 HydrophobicContact CG2-CB 4.43Å; I1004-V1034 HydrophobicContact CG2-CG1 4.37Å; I1004-V1034 HydrophobicContact CG2-CG2 4.18Å
1005	L	91.8	Very high	92.5	Very high	19 Å²	19	26 Å²	26	10%	0.099	14%	0.144	C	C	.	.	H	α-helix	trans	-63.5	-46	179.9	-69	172.5	0	0	0	111.6	L251 I989 L993 R1001 A1002 T1007 L1008 F1009	L251-L1005 HydrophobicContact CD1-CD1 3.98Å; L251-L1005 HydrophobicContact CD2-CD1 3.53Å; L251-L1005 HydrophobicContact CG-CD1 4.41Å; I989-L1005 HydrophobicContact CD1-CD2 4.05Å; L993-L1005 HydrophobicContact CD1-CD2 4.06Å; L993-L1005 HydrophobicContact CD1-CG 4.38Å; R1001-L1005 WeakPolarHBondContact O-CB 3.32Å; R1001-L1005 WeakPolarHBondContact O-CG 3.37Å; R1001-L1005 PolarHBondContact O-N 2.79Å; A1002-L1005 PolarHBondContact O-N 3.42Å; L1005-T1007 VanDerWaalsContact C-N 3.27Å; L1005-T1007 PolarHBondContact O-N 2.95Å; L1005-L1008 WeakPolarHBondContact O-CA 3.37Å; L1005-L1008 WeakPolarHBondContact O-CB 3.32Å; L1005-L1008 PolarHBondContact O-N 3.12Å; L1005-F1009 HydrophobicContact CB-CD2 4.47Å; L1005-F1009 HydrophobicContact CB-CE2 4.27Å; L1005-F1009 WeakPolarHBondContact O-CD2 3.34Å; L1005-F1009 PolarHBondContact O-N 2.79Å
1006	Q	90.2	Very high	92.7	Very high	57 Å²	57	21.2 Å²	21.2	27%	0.266	11%	0.113	S	C	.	.	H	α-helix	trans	-60.5	-37	175.4	-73.9	177.9	-11.1	0	0	112.1	A1002 L1008 F1009 S1010 I1014 T1235	A1002-Q1006 VanDerWaalsContact O-CB 3.31Å; A1002-Q1006 WeakPolarHBondContact O-CB 3.49Å; A1002-Q1006 VanDerWaalsContact O-CG 3.3Å; A1002-Q1006 WeakPolarHBondContact O-CG 3.17Å; A1002-Q1006 PolarHBondContact O-N 2.89Å; Q1006-L1008 VanDerWaalsContact C-N 3.26Å; Q1006-L1008 PolarHBondContact O-N 3.02Å; Q1006-F1009 PolarHBondContact O-N 3.38Å; Q1006-S1010 PolarHBondContact O-N 3.18Å; Q1006-I1014 HydrophobicContact CB-CD1 4.08Å; Q1006-T1235 PolarHBondContact OE1-OG1 3.13Å
1007	T	92	Very high	92.7	Very high	4 Å²	4	21.1 Å²	21.1	3%	0.025	11%	0.112	C	C	.	.	H	α-helix	trans	-62.2	-33.5	172.5	-57.5	0	0	0	0	112.4	A1003 I1004 L1005 I1014 L1031 V1179	A1003-T1007 WeakPolarHBondContact O-CB 3.34Å; A1003-T1007 PolarHBondContact O-N 2.76Å; A1003-T1007 PolarHBondContact O-OG1 3.16Å; I1004-T1007 WeakPolarHBondContact O-CB 3.48Å; I1004-T1007 PolarHBondContact O-N 2.74Å; L1005-T1007 VanDerWaalsContact C-N 3.27Å; L1005-T1007 PolarHBondContact O-N 2.95Å; T1007-I1014 HydrophobicContact CG2-CG2 3.91Å; T1007-L1031 HydrophobicContact CG2-CD1 3.68Å; T1007-L1031 HydrophobicContact CG2-CD2 4.06Å; T1007-V1179 HydrophobicContact CG2-CG2 3.69Å
1008	L	90.1	Very high	92.7	Very high	9 Å²	9	20.2 Å²	20.2	5%	0.047	11%	0.107	C	C	.	.	H	α-helix	trans	-75.6	-30.5	175	-64.8	-178.8	0	0	0	112.9	L978 I981 I989 I1004 L1005 Q1006 V1034 L1035 L1038	L978-L1008 WeakPolarHBondContact CD1-O 3.05Å; I981-L1008 HydrophobicContact CD1-CB 3.78Å; I981-L1008 HydrophobicContact CD1-CD1 4.33Å; I989-L1008 HydrophobicContact CD1-CD1 3.9Å; I1004-L1008 WeakPolarHBondContact O-CG 3.2Å; I1004-L1008 PolarHBondContact O-N 3.39Å; I1004-L1008 VanDerWaalsContact O-N 3.1Å; L1005-L1008 WeakPolarHBondContact O-CA 3.37Å; L1005-L1008 WeakPolarHBondContact O-CB 3.32Å; L1005-L1008 PolarHBondContact O-N 3.12Å; Q1006-L1008 VanDerWaalsContact C-N 3.26Å; Q1006-L1008 PolarHBondContact O-N 3.02Å; L1008-V1034 HydrophobicContact CD1-CG1 3.93Å; L1008-V1034 HydrophobicContact CD2-CG1 3.96Å; L1008-V1034 HydrophobicContact CG-CG1 4.36Å; L1008-L1035 HydrophobicContact CD2-CD2 4.29Å; L1008-L1038 HydrophobicContact CD2-CD1 3.5Å; L1008-L1038 VanDerWaalsContact CD2-CD1 3.5Å
1009	F	88.9	Confident	92.8	Very high	46 Å²	46	17.2 Å²	17.2	20%	0.202	9%	0.086	C	C	.	.	H	α-helix	trans	-78	-35.9	178.1	-74.1	-68.6	0	0	0	112.9	M977 L978 I981 L1005 Q1006	M977-F1009 HydrophobicContact CE-CB 3.78Å; L978-F1009 HydrophobicContact CB-CD1 4.2Å; L978-F1009 WeakPolarHBondContact CB-O 3.29Å; L978-F1009 WeakPolarHBondContact CG-O 3.37Å; L978-F1009 PolarHBondContact N-O 3.05Å; L978-F1009 VanDerWaalsContact O-CD1 3.29Å; L978-F1009 WeakPolarHBondContact O-CD1 3.45Å; I981-F1009 HydrophobicContact CB-CE1 4.34Å; I981-F1009 HydrophobicContact CD1-CD1 3.83Å; I981-F1009 HydrophobicContact CD1-CD2 3.97Å; I981-F1009 HydrophobicContact CD1-CE1 3.56Å; I981-F1009 HydrophobicContact CD1-CE2 3.65Å; I981-F1009 HydrophobicContact CD1-CG 4.04Å; I981-F1009 HydrophobicContact CD1-CZ 3.44Å; I981-F1009 VanDerWaalsContact CD1-CZ 3.44Å; I981-F1009 HydrophobicContact CG1-CD1 3.84Å; I981-F1009 HydrophobicContact CG1-CE1 3.47Å; I981-F1009 VanDerWaalsContact CG1-CE1 3.47Å; I981-F1009 HydrophobicContact CG1-CE2 4.49Å; I981-F1009 HydrophobicContact CG1-CZ 3.83Å; L1005-F1009 HydrophobicContact CB-CD2 4.47Å; L1005-F1009 HydrophobicContact CB-CE2 4.27Å; L1005-F1009 WeakPolarHBondContact O-CD2 3.34Å; L1005-F1009 PolarHBondContact O-N 2.79Å; Q1006-F1009 PolarHBondContact O-N 3.38Å
1010	S	88.8	Confident	92.7	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.014	8%	0.078	C	C	.	.	B	Isolated β-bridge	trans	-68.7	135.2	179.3	179.3	0	0	0	0	112.2	Q1006 Y1013 R1177	Q1006-S1010 PolarHBondContact O-N 3.18Å; S1010-Y1013 PolarHBondContact OG-N 3.34Å; S1010-Y1013 PolarHBondContact OG-O 3.37Å; S1010-R1177 WeakPolarHBondContact O-CD 3.47Å
1011	Q	86.2	Confident	92.6	Very high	58 Å²	58	16.2 Å²	16.2	27%	0.271	9%	0.085	S	C	.	.	S	Bend	trans	-85.2	-33.6	-179.9	-67.6	-172	-6.4	0	0	113.7	D976 L978 R1177	D976-Q1011 HydrophobicContact CB-CB 4.37Å; D976-Q1011 HydrophobicContact CB-CG 4.39Å; D976-Q1011 WeakPolarHBondContact O-CB 3.29Å; D976-Q1011 WeakPolarHBondContact O-CG 3.45Å; D976-Q1011 PolarHBondContact O-N 3.46Å; L978-Q1011 HydrophobicContact CD2-CG 4.32Å; L978-Q1011 HydrophobicContact CG-CG 4.04Å; Q1011-R1177 WeakPolarHBondContact O-CG 3.45Å
1012	S	90	Very high	92.5	Very high	12 Å²	12	12.9 Å²	12.9	8%	0.084	7%	0.073	C	C	.	.	S	Bend	trans	-117.4	-52	-170.6	-41.6	0	0	0	0	113.8	R1177 F1178	S1012-R1177 CarbonylContact O-C 3.48Å; S1012-R1177 WeakPolarHBondContact O-CA 3.32Å; S1012-F1178 PolarHBondContact O-N 3.35Å
1013	Y	94.3	Very high	92.5	Very high	1 Å²	1	12.5 Å²	12.5	0%	0.004	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	159.2	177	75.6	-94	0	0	0	114.9	L968 P975 S1010 L1015 F1178 L1209 H1213 Y1233	L968-Y1013 HydrophobicContact CD2-CD1 4.17Å; L968-Y1013 HydrophobicContact CD2-CE1 4.15Å; P975-Y1013 HydrophobicContact CB-CD1 4.01Å; P975-Y1013 HydrophobicContact CB-CE1 4.15Å; P975-Y1013 HydrophobicContact CG-CD1 4.02Å; P975-Y1013 HydrophobicContact CG-CE1 3.88Å; P975-Y1013 HydrophobicContact CG-CE2 4.37Å; P975-Y1013 HydrophobicContact CG-CG 4.34Å; P975-Y1013 WeakPolarHBondContact CG-O 3.47Å; S1010-Y1013 PolarHBondContact OG-N 3.34Å; S1010-Y1013 PolarHBondContact OG-O 3.37Å; Y1013-L1015 HydrophobicContact CD2-CD2 4.11Å; Y1013-L1015 HydrophobicContact CD2-CG 4.25Å; Y1013-L1015 HydrophobicContact CE2-CD2 4.32Å; Y1013-L1015 HydrophobicContact CE2-CG 4.14Å; Y1013-F1178 WeakPolarHBondContact CA-O 3.16Å; Y1013-F1178 WeakPolarHBondContact CB-O 3.3Å; Y1013-F1178 HydrophobicContact CD1-CE1 4.43Å; Y1013-F1178 HydrophobicContact CD1-CE2 4.5Å; Y1013-F1178 AromaticContact CD1-CZ 3.91Å; Y1013-F1178 HydrophobicContact CD1-CZ 3.91Å; Y1013-F1178 HydrophobicContact CD2-CE2 4.38Å; Y1013-F1178 HydrophobicContact CG-CE1 4.37Å; Y1013-F1178 AromaticContact CG-CE2 3.86Å; Y1013-F1178 HydrophobicContact CG-CE2 3.86Å; Y1013-F1178 AromaticContact CG-CZ 3.72Å; Y1013-F1178 HydrophobicContact CG-CZ 3.72Å; Y1013-L1209 HydrophobicContact CD2-CD1 4.02Å; Y1013-L1209 HydrophobicContact CE1-CD2 4.49Å; Y1013-L1209 HydrophobicContact CE2-CB 4.37Å; Y1013-L1209 HydrophobicContact CE2-CD1 3.94Å; Y1013-L1209 HydrophobicContact CG-CD1 4.46Å; Y1013-H1213 PolarHBondContact OH-NE2 2.81Å; Y1013-H1213 VanDerWaalsContact OH-NE2 3.13Å; Y1013-Y1233 AromaticContact CE2-CD2 3.74Å; Y1013-Y1233 HydrophobicContact CE2-CD2 3.74Å; Y1013-Y1233 HydrophobicContact CE2-CG 4.26Å
1014	I	95.3	Very high	92.5	Very high	2 Å²	2	13.7 Å²	13.7	1%	0.01	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	141.2	174.3	-170.8	78.2	0	0	0	110.1	Q1006 T1007 F1178 V1179 L1180 Y1233	Q1006-I1014 HydrophobicContact CB-CD1 4.08Å; T1007-I1014 HydrophobicContact CG2-CG2 3.91Å; I1014-F1178 PolarHBondContact N-O 3.49Å; I1014-F1178 VanDerWaalsContact N-O 3.14Å; I1014-V1179 HydrophobicContact CG2-CB 3.99Å; I1014-V1179 HydrophobicContact CG2-CG1 3.75Å; I1014-V1179 HydrophobicContact CG2-CG2 3.75Å; I1014-L1180 PolarHBondContact O-N 3.44Å; I1014-Y1233 WeakPolarHBondContact CA-O 3.42Å; I1014-Y1233 VanDerWaalsContact CD1-C 3.48Å; I1014-Y1233 WeakPolarHBondContact CD1-O 3.45Å
1015	L	96.2	Very high	92.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	116.1	175.1	-53.2	-174.7	0	0	0	110	Y1013 L1180 F1206 L1209 Q1210 Y1233 V1234 T1235	Y1013-L1015 HydrophobicContact CD2-CD2 4.11Å; Y1013-L1015 HydrophobicContact CD2-CG 4.25Å; Y1013-L1015 HydrophobicContact CE2-CD2 4.32Å; Y1013-L1015 HydrophobicContact CE2-CG 4.14Å; L1015-L1180 HydrophobicContact CD2-CB 3.87Å; L1015-L1180 HydrophobicContact CD2-CD1 3.77Å; L1015-L1180 HydrophobicContact CD2-CG 4.11Å; L1015-F1206 HydrophobicContact CB-CE1 4.42Å; L1015-F1206 HydrophobicContact CB-CE2 3.87Å; L1015-F1206 HydrophobicContact CB-CZ 3.81Å; L1015-F1206 HydrophobicContact CD2-CD2 4.22Å; L1015-F1206 HydrophobicContact CD2-CE2 4.4Å; L1015-L1209 HydrophobicContact CD1-CB 4.07Å; L1015-L1209 HydrophobicContact CD2-CD1 4.13Å; L1015-Q1210 HydrophobicContact CD1-CB 4.37Å; L1015-Y1233 HydrophobicContact CD1-CD2 4.33Å; L1015-Y1233 HydrophobicContact CD1-CE2 4.34Å; L1015-Y1233 HydrophobicContact CG-CD2 4.48Å; L1015-Y1233 PolarHBondContact N-O 2.74Å; L1015-V1234 HydrophobicContact CB-CG1 4.33Å; L1015-V1234 HydrophobicContact CB-CG2 4.24Å; L1015-V1234 HydrophobicContact CD1-CG2 4.13Å; L1015-V1234 HydrophobicContact CG-CG2 4.5Å; L1015-V1234 WeakPolarHBondContact O-CA 3.19Å; L1015-T1235 PolarHBondContact O-N 2.83Å
1016	I	96.7	Very high	92.5	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	101.4	176	-52.5	-173.1	0	0	0	109.3	A1003 G1018 V1179 L1180 V1181 G1182 T1235 L1237	A1003-I1016 HydrophobicContact CB-CD1 4.46Å; I1016-G1018 PolarHBondContact O-N 2.56Å; I1016-V1179 HydrophobicContact CD1-CG1 3.91Å; I1016-V1179 HydrophobicContact CG1-CG1 4.34Å; I1016-L1180 PolarHBondContact N-O 2.87Å; I1016-V1181 HydrophobicContact CB-CB 4.46Å; I1016-V1181 HydrophobicContact CB-CG1 4.22Å; I1016-V1181 HydrophobicContact CB-CG2 4.15Å; I1016-V1181 HydrophobicContact CD1-CG2 4.23Å; I1016-V1181 HydrophobicContact CG1-CG2 4.4Å; I1016-V1181 HydrophobicContact CG2-CG1 4.29Å; I1016-G1182 PolarHBondContact O-N 3.29Å; I1016-G1182 VanDerWaalsContact O-N 3.13Å; I1016-T1235 HydrophobicContact CB-CG2 3.95Å; I1016-T1235 HydrophobicContact CD1-CG2 4.49Å; I1016-T1235 HydrophobicContact CG1-CG2 3.67Å; I1016-T1235 HydrophobicContact CG2-CG2 3.92Å; I1016-L1237 HydrophobicContact CG2-CD1 3.93Å; I1016-L1237 HydrophobicContact CG2-CG 4.03Å
1017	K	95.1	Very high	92.8	Very high	3 Å²	3	15.8 Å²	15.8	1%	0.013	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	102.2	172.2	-67.9	-173.3	-170	169.9	0	109.6	Y1019 G1182 P1184 F1206 Q1210 V1234 T1235 E1236 L1237	K1017-Y1019 HydrophobicContact CB-CE1 4.44Å; K1017-G1182 CarbonylContact C-O 3.59Å; K1017-G1182 WeakPolarHBondContact CA-O 3.41Å; K1017-P1184 HydrophobicContact CD-CG 4.49Å; K1017-F1206 HydrophobicContact CB-CZ 4.4Å; K1017-F1206 HydrophobicContact CG-CE1 3.8Å; K1017-F1206 HydrophobicContact CG-CZ 3.55Å; K1017-Q1210 VanDerWaalsContact NZ-NE2 3.19Å; K1017-V1234 HydrophobicContact CD-CG1 4.24Å; K1017-V1234 HydrophobicContact CG-CG1 4.22Å; K1017-T1235 PolarHBondContact N-O 3.5Å; K1017-E1236 HydrophobicContact CB-CB 4.44Å; K1017-E1236 HydrophobicContact CB-CG 4.2Å; K1017-E1236 HydrophobicContact CD-CG 4.02Å; K1017-E1236 IonicContact NZ-OE1 2.8Å; K1017-E1236 PolarHBondContact NZ-OE1 3.48Å; K1017-L1237 PolarHBondContact O-N 3.38Å
1018	G	93.2	Very high	93.1	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	97.2	-178.6	0	0	0	0	0	113.1	I1016 K1024 G1182	I1016-G1018 PolarHBondContact O-N 2.56Å; G1018-K1024 WeakPolarHBondContact O-CD 3.46Å; G1018-K1024 PolarHBondContact O-NZ 2.71Å; G1018-G1182 PolarHBondContact N-O 2.95Å
1019	Y	94.4	Very high	93.4	Very high	1 Å²	1	15.4 Å²	15.4	0%	0.004	9%	0.087	C	C	.	.			trans	-60.3	162.9	177.7	-61.9	-16.1	0	0	0	112.5	K1017 G1021 S1022 Y1185 E1236 T1238 Y1256 K1259 M1260	K1017-Y1019 HydrophobicContact CB-CE1 4.44Å; Y1019-G1021 PolarHBondContact O-N 2.85Å; Y1019-S1022 PolarHBondContact N-OG 3.39Å; Y1019-S1022 WeakPolarHBondContact O-CB 3.37Å; Y1019-S1022 PolarHBondContact O-N 3.33Å; Y1019-S1022 VanDerWaalsContact O-N 3.12Å; Y1019-S1022 PolarHBondContact O-OG 3.12Å; Y1019-Y1185 HydrophobicContact CE1-CD2 4.18Å; Y1019-Y1185 HydrophobicContact CE1-CE2 4.18Å; Y1019-E1236 PolarHBondContact OH-OE2 2.96Å; Y1019-T1238 HydrophobicContact CE2-CG2 3.98Å; Y1019-Y1256 AromaticContact CD1-CD1 3.5Å; Y1019-Y1256 HydrophobicContact CD1-CD1 3.5Å; Y1019-Y1256 AromaticContact CD1-CE1 3.33Å; Y1019-Y1256 HydrophobicContact CD1-CE1 3.33Å; Y1019-Y1256 HydrophobicContact CD2-CD1 4.07Å; Y1019-Y1256 HydrophobicContact CD2-CE1 4.5Å; Y1019-Y1256 HydrophobicContact CD2-CG 4.46Å; Y1019-Y1256 AromaticContact CE1-CD1 3.41Å; Y1019-Y1256 HydrophobicContact CE1-CD1 3.41Å; Y1019-Y1256 VanDerWaalsContact CE1-CD1 3.41Å; Y1019-Y1256 AromaticContact CE1-CE1 3.64Å; Y1019-Y1256 HydrophobicContact CE1-CE1 3.64Å; Y1019-Y1256 AromaticContact CE2-CD1 3.99Å; Y1019-Y1256 HydrophobicContact CE2-CD1 3.99Å; Y1019-Y1256 HydrophobicContact CE2-CG 4.44Å; Y1019-Y1256 AromaticContact CG-CD1 3.87Å; Y1019-Y1256 HydrophobicContact CG-CD1 3.87Å; Y1019-Y1256 AromaticContact CG-CE1 3.84Å; Y1019-Y1256 HydrophobicContact CG-CE1 3.84Å; Y1019-Y1256 AromaticContact CZ-CD1 3.69Å; Y1019-K1259 HydrophobicContact CE2-CB 4.28Å; Y1019-M1260 HydrophobicContact CD2-CB 4.16Å; Y1019-M1260 HydrophobicContact CD2-CG 4.44Å
1020	P	93.4	Very high	93.8	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.006	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	132.2	179.9	-15.9	23	0	0	0	111.5	S1022 Q1240 M1243 Y1256 T1432	P1020-S1022 PolarHBondContact O-N 3.5Å; P1020-Q1240 WeakPolarHBondContact O-CB 3.31Å; P1020-M1243 HydrophobicContact CB-CE 4.09Å; P1020-Y1256 WeakPolarHBondContact CD-OH 3.14Å; P1020-Y1256 HydrophobicContact CG-CE2 4.45Å; P1020-Y1256 WeakPolarHBondContact CG-OH 3.3Å; P1020-T1432 HydrophobicContact CB-CG2 4.08Å; P1020-T1432 HydrophobicContact CG-CG2 3.59Å
1021	G	92.4	Very high	94.2	Very high	19 Å²	19	13.3 Å²	13.3	20%	0.196	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	7.2	-180	0	0	0	0	0	115.2	Y1019 G1023 Q1240 Y1241	Y1019-G1021 PolarHBondContact O-N 2.85Å; G1021-G1023 PolarHBondContact O-N 3.18Å; G1021-G1023 VanDerWaalsContact O-N 3.15Å; G1021-Q1240 WeakPolarHBondContact O-CA 3.46Å; G1021-Y1241 WeakPolarHBondContact O-CD2 3.41Å; G1021-Y1241 PolarHBondContact O-N 3.29Å
1022	S	93.6	Very high	94.8	Very high	2 Å²	2	10.5 Å²	10.5	1%	0.014	7%	0.065	C	C	.	.	S	Bend	trans	-73.6	1.9	-178.1	62.2	0	0	0	0	115.9	Y1019 P1020 L1237 I1239	Y1019-S1022 PolarHBondContact N-OG 3.39Å; Y1019-S1022 WeakPolarHBondContact O-CB 3.37Å; Y1019-S1022 PolarHBondContact O-N 3.33Å; Y1019-S1022 VanDerWaalsContact O-N 3.12Å; Y1019-S1022 PolarHBondContact O-OG 3.12Å; P1020-S1022 PolarHBondContact O-N 3.5Å; S1022-L1237 WeakPolarHBondContact CB-O 3.5Å; S1022-I1239 VanDerWaalsContact CA-O 3.28Å; S1022-I1239 WeakPolarHBondContact CA-O 3.34Å
1023	G	92.1	Very high	95.1	Very high	24 Å²	24	14.3 Å²	14.3	25%	0.247	8%	0.077	C	C	.	.			trans	74.4	28.2	-176.8	0	0	0	0	0	114.1	G1021 T1025 E1026 T1027	G1021-G1023 PolarHBondContact O-N 3.18Å; G1021-G1023 VanDerWaalsContact O-N 3.15Å; G1023-T1025 VanDerWaalsContact C-N 3.33Å; G1023-T1025 PolarHBondContact O-N 2.94Å; G1023-E1026 WeakPolarHBondContact O-CA 3.19Å; G1023-E1026 WeakPolarHBondContact O-CB 3.36Å; G1023-E1026 PolarHBondContact O-N 3.27Å; G1023-T1027 PolarHBondContact O-N 2.99Å; G1023-T1027 PolarHBondContact O-OG1 3.39Å; G1023-T1027 VanDerWaalsContact O-OG1 3.14Å
1024	K	93.8	Very high	95.2	Very high	25 Å²	25	14.2 Å²	14.2	11%	0.109	8%	0.077	C	C	.	.	H	α-helix	trans	-38.8	-58.9	175.3	-76.3	-162.2	-71	-82.6	0	113	G1018 E1026 T1027 L1028 E1147 V1181 L1237	G1018-K1024 WeakPolarHBondContact O-CD 3.46Å; G1018-K1024 PolarHBondContact O-NZ 2.71Å; K1024-E1026 VanDerWaalsContact C-N 3.27Å; K1024-E1026 PolarHBondContact O-N 3.01Å; K1024-T1027 WeakPolarHBondContact O-CB 3.33Å; K1024-T1027 PolarHBondContact O-N 3.48Å; K1024-T1027 VanDerWaalsContact O-N 3.11Å; K1024-L1028 WeakPolarHBondContact O-CG 3.45Å; K1024-L1028 PolarHBondContact O-N 3.47Å; K1024-E1147 WeakPolarHBondContact CE-OE1 3.45Å; K1024-E1147 IonicContact NZ-OE1 3.61Å; K1024-V1181 HydrophobicContact CD-CG1 4Å; K1024-V1181 HydrophobicContact CG-CG1 4.47Å; K1024-L1237 HydrophobicContact CG-CD1 4.36Å
1025	T	92	Very high	95.2	Very high	36 Å²	36	14.1 Å²	14.1	22%	0.221	8%	0.077	C	C	.	.	H	α-helix	trans	-58.1	-40.3	-178.3	-45.3	0	0	0	0	111.6	G1023 L1028 I1029 L1055	G1023-T1025 VanDerWaalsContact C-N 3.33Å; G1023-T1025 PolarHBondContact O-N 2.94Å; T1025-L1028 PolarHBondContact O-N 2.85Å; T1025-I1029 VanDerWaalsContact O-CG1 3.28Å; T1025-I1029 WeakPolarHBondContact O-CG1 3.44Å; T1025-I1029 PolarHBondContact O-N 3.18Å; T1025-L1055 HydrophobicContact CG2-CD1 4.06Å
1026	E	94.3	Very high	95.1	Very high	85 Å²	85	14.8 Å²	14.8	40%	0.397	8%	0.08	S	C	.	.	H	α-helix	trans	-64.7	-43.1	177.5	-168.5	59	-150.4	0	0	111.8	L996 G1023 K1024 L1028 I1029 A1030	L996-E1026 HydrophobicContact CD2-CG 4.08Å; G1023-E1026 WeakPolarHBondContact O-CA 3.19Å; G1023-E1026 WeakPolarHBondContact O-CB 3.36Å; G1023-E1026 PolarHBondContact O-N 3.27Å; K1024-E1026 VanDerWaalsContact C-N 3.27Å; K1024-E1026 PolarHBondContact O-N 3.01Å; E1026-L1028 VanDerWaalsContact C-N 3.3Å; E1026-L1028 PolarHBondContact O-N 3.39Å; E1026-I1029 PolarHBondContact O-N 3.4Å; E1026-A1030 PolarHBondContact O-N 3.37Å
1027	T	96.5	Very high	95	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.006	10%	0.095	C	C	.	.	H	α-helix	trans	-58	-43.7	173	-45.8	0	0	0	0	111.3	Q1000 A1003 I1004 G1023 K1024 A1030 L1031 L1237	Q1000-T1027 HydrophobicContact CB-CG2 4.31Å; Q1000-T1027 HydrophobicContact CG-CG2 4.49Å; Q1000-T1027 WeakPolarHBondContact CG-OG1 3.46Å; Q1000-T1027 PolarHBondContact NE2-OG1 3.46Å; A1003-T1027 HydrophobicContact CB-CG2 4.22Å; I1004-T1027 HydrophobicContact CG1-CG2 4.26Å; G1023-T1027 PolarHBondContact O-N 2.99Å; G1023-T1027 PolarHBondContact O-OG1 3.39Å; G1023-T1027 VanDerWaalsContact O-OG1 3.14Å; K1024-T1027 WeakPolarHBondContact O-CB 3.33Å; K1024-T1027 PolarHBondContact O-N 3.48Å; K1024-T1027 VanDerWaalsContact O-N 3.11Å; T1027-A1030 PolarHBondContact O-N 3.25Å; T1027-L1031 WeakPolarHBondContact O-CB 3.42Å; T1027-L1031 PolarHBondContact O-N 3.48Å; T1027-L1237 HydrophobicContact CG2-CD1 4.41Å; T1027-L1237 HydrophobicContact CG2-CD2 4.48Å
1028	L	97.4	Very high	94.8	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-69.3	-38.8	179.7	-61.6	-179.4	0	0	0	112.6	K1024 T1025 E1026 A1030 L1031 L1032 L1055 L1144 D1146 V1181	K1024-L1028 WeakPolarHBondContact O-CG 3.45Å; K1024-L1028 PolarHBondContact O-N 3.47Å; T1025-L1028 PolarHBondContact O-N 2.85Å; E1026-L1028 VanDerWaalsContact C-N 3.3Å; E1026-L1028 PolarHBondContact O-N 3.39Å; L1028-A1030 VanDerWaalsContact C-N 3.35Å; L1028-L1031 HydrophobicContact CD2-CD2 4.46Å; L1028-L1031 PolarHBondContact O-N 2.84Å; L1028-L1032 WeakPolarHBondContact O-CB 3.41Å; L1028-L1032 WeakPolarHBondContact O-CG 3.29Å; L1028-L1032 PolarHBondContact O-N 2.97Å; L1028-L1055 HydrophobicContact CB-CD1 3.72Å; L1028-L1055 HydrophobicContact CD1-CD1 4.38Å; L1028-L1055 HydrophobicContact CD1-CD2 4.27Å; L1028-L1144 HydrophobicContact CD1-CD2 4.2Å; L1028-L1144 HydrophobicContact CD2-CD1 4Å; L1028-L1144 HydrophobicContact CD2-CD2 4.49Å; L1028-L1144 HydrophobicContact CD2-CG 4.48Å; L1028-D1146 HydrophobicContact CD1-CB 4.11Å; L1028-V1181 HydrophobicContact CD1-CB 4.36Å; L1028-V1181 HydrophobicContact CD1-CG1 4.12Å; L1028-V1181 HydrophobicContact CD1-CG2 4.22Å; L1028-V1181 HydrophobicContact CD2-CB 4.24Å; L1028-V1181 HydrophobicContact CD2-CG1 4.11Å; L1028-V1181 HydrophobicContact CD2-CG2 3.36Å; L1028-V1181 HydrophobicContact CG-CG1 4.41Å; L1028-V1181 HydrophobicContact CG-CG2 4.35Å
1029	I	97.6	Very high	94.7	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.021	14%	0.143	C	C	.	.	H	α-helix	trans	-61.1	-46.2	173.4	-67.2	-56.4	0	0	0	110.7	T1025 E1026 L1032 R1033 L1055 R1058 L1059 T1062	T1025-I1029 VanDerWaalsContact O-CG1 3.28Å; T1025-I1029 WeakPolarHBondContact O-CG1 3.44Å; T1025-I1029 PolarHBondContact O-N 3.18Å; E1026-I1029 PolarHBondContact O-N 3.4Å; I1029-L1032 PolarHBondContact O-N 2.92Å; I1029-R1033 VanDerWaalsContact O-CG 3.25Å; I1029-R1033 WeakPolarHBondContact O-CG 3.38Å; I1029-R1033 PolarHBondContact O-N 2.98Å; I1029-L1055 HydrophobicContact CD1-CD1 3.65Å; I1029-L1055 WeakPolarHBondContact CD1-O 3.09Å; I1029-L1055 HydrophobicContact CG1-CD1 4.17Å; I1029-R1058 HydrophobicContact CD1-CB 3.8Å; I1029-R1058 HydrophobicContact CG1-CB 3.93Å; I1029-L1059 HydrophobicContact CD1-CB 3.79Å; I1029-L1059 VanDerWaalsContact CD1-N 3.34Å; I1029-T1062 HydrophobicContact CG2-CG2 3.93Å
1030	A	97.4	Very high	94.6	Very high	2 Å²	2	29.4 Å²	29.4	2%	0.017	15%	0.148	C	C	.	.	H	α-helix	trans	-64.3	-41.8	176.9	0	0	0	0	0	112.3	I992 L996 I1004 E1026 T1027 L1028 R1033 V1034	I992-A1030 HydrophobicContact CG2-CB 3.95Å; L996-A1030 HydrophobicContact CD1-CB 3.62Å; L996-A1030 HydrophobicContact CD2-CB 4.31Å; L996-A1030 HydrophobicContact CG-CB 4.43Å; I1004-A1030 HydrophobicContact CD1-CB 3.64Å; E1026-A1030 PolarHBondContact O-N 3.37Å; T1027-A1030 PolarHBondContact O-N 3.25Å; L1028-A1030 VanDerWaalsContact C-N 3.35Å; A1030-R1033 PolarHBondContact O-N 3.11Å; A1030-V1034 WeakPolarHBondContact O-CG2 3.34Å; A1030-V1034 PolarHBondContact O-N 3.41Å
1031	L	97.3	Very high	94.7	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-59.2	-48.4	173.9	177	60.2	0	0	0	111.4	I1004 T1007 T1027 L1028 R1033 V1034 L1035 L1144 V1179	I1004-L1031 HydrophobicContact CG1-CB 4.2Å; I1004-L1031 HydrophobicContact CG2-CD1 4.19Å; T1007-L1031 HydrophobicContact CG2-CD1 3.68Å; T1007-L1031 HydrophobicContact CG2-CD2 4.06Å; T1027-L1031 WeakPolarHBondContact O-CB 3.42Å; T1027-L1031 PolarHBondContact O-N 3.48Å; L1028-L1031 HydrophobicContact CD2-CD2 4.46Å; L1028-L1031 PolarHBondContact O-N 2.84Å; L1031-R1033 VanDerWaalsContact C-N 3.32Å; L1031-R1033 PolarHBondContact O-N 3.37Å; L1031-V1034 WeakPolarHBondContact O-CB 3.38Å; L1031-V1034 PolarHBondContact O-N 3.48Å; L1031-V1034 VanDerWaalsContact O-N 3.16Å; L1031-L1035 HydrophobicContact CD1-CD1 4.09Å; L1031-L1035 HydrophobicContact CD1-CG 4.05Å; L1031-L1035 HydrophobicContact CG-CD1 3.98Å; L1031-L1035 HydrophobicContact CG-CG 4.36Å; L1031-L1035 WeakPolarHBondContact O-CG 3.33Å; L1031-L1035 PolarHBondContact O-N 2.82Å; L1031-L1144 HydrophobicContact CD2-CD1 4.18Å; L1031-V1179 HydrophobicContact CD2-CG1 4.03Å; L1031-V1179 HydrophobicContact CD2-CG2 4.46Å
1032	L	97.6	Very high	94.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-57.9	-46	177.4	-74	169.7	0	0	0	110.9	L1028 I1029 V1034 L1035 I1036 I1042 V1044 L1055 L1059 L1144	L1028-L1032 WeakPolarHBondContact O-CB 3.41Å; L1028-L1032 WeakPolarHBondContact O-CG 3.29Å; L1028-L1032 PolarHBondContact O-N 2.97Å; I1029-L1032 PolarHBondContact O-N 2.92Å; L1032-V1034 VanDerWaalsContact C-N 3.32Å; L1032-V1034 PolarHBondContact O-N 2.92Å; L1032-L1035 PolarHBondContact O-N 3.3Å; L1032-I1036 WeakPolarHBondContact O-CB 3.32Å; L1032-I1036 WeakPolarHBondContact O-CD1 3.43Å; L1032-I1036 WeakPolarHBondContact O-CG1 3.3Å; L1032-I1036 PolarHBondContact O-N 3.48Å; L1032-I1042 HydrophobicContact CD2-CB 4.49Å; L1032-I1042 HydrophobicContact CD2-CD1 4.09Å; L1032-I1042 HydrophobicContact CD2-CG2 3.71Å; L1032-V1044 HydrophobicContact CD1-CG2 4.27Å; L1032-V1044 HydrophobicContact CD2-CG2 3.74Å; L1032-L1055 HydrophobicContact CD1-CD1 4.13Å; L1032-L1055 HydrophobicContact CD1-CD2 4.31Å; L1032-L1055 HydrophobicContact CD1-CG 4.12Å; L1032-L1059 HydrophobicContact CB-CD1 4.19Å; L1032-L1059 HydrophobicContact CD1-CD2 4.31Å; L1032-L1144 HydrophobicContact CD2-CD1 4.09Å; L1032-L1144 HydrophobicContact CG-CD1 4.25Å
1033	R	97.3	Very high	95.1	Very high	91 Å²	91	31.5 Å²	31.5	34%	0.343	15%	0.149	S	C	.	.	H	α-helix	trans	-60.3	-40.7	176.4	-70.3	171.7	69.2	-155.2	0.1	112.6	I992 I1029 A1030 L1031 L1037 L1059	I992-R1033 HydrophobicContact CD1-CB 4.06Å; I992-R1033 HydrophobicContact CG2-CB 4.24Å; I1029-R1033 VanDerWaalsContact O-CG 3.25Å; I1029-R1033 WeakPolarHBondContact O-CG 3.38Å; I1029-R1033 PolarHBondContact O-N 2.98Å; A1030-R1033 PolarHBondContact O-N 3.11Å; L1031-R1033 VanDerWaalsContact C-N 3.32Å; L1031-R1033 PolarHBondContact O-N 3.37Å; R1033-L1037 WeakPolarHBondContact O-CB 3.49Å; R1033-L1037 PolarHBondContact O-N 3.22Å; R1033-L1059 HydrophobicContact CG-CD1 4.19Å
1034	V	95.4	Very high	95.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64	-47	174.9	166	0	0	0	0	111	I989 I992 I1004 L1008 A1030 L1031 L1032 I1036 L1037 L1038	I989-V1034 HydrophobicContact CB-CG2 4.11Å; I989-V1034 HydrophobicContact CG2-CB 4.47Å; I989-V1034 HydrophobicContact CG2-CG1 3.83Å; I989-V1034 HydrophobicContact CG2-CG2 4.09Å; I992-V1034 HydrophobicContact CB-CG2 4.28Å; I992-V1034 HydrophobicContact CD1-CG2 4.06Å; I992-V1034 HydrophobicContact CG2-CG2 4Å; I1004-V1034 HydrophobicContact CG2-CB 4.43Å; I1004-V1034 HydrophobicContact CG2-CG1 4.37Å; I1004-V1034 HydrophobicContact CG2-CG2 4.18Å; L1008-V1034 HydrophobicContact CD1-CG1 3.93Å; L1008-V1034 HydrophobicContact CD2-CG1 3.96Å; L1008-V1034 HydrophobicContact CG-CG1 4.36Å; A1030-V1034 WeakPolarHBondContact O-CG2 3.34Å; A1030-V1034 PolarHBondContact O-N 3.41Å; L1031-V1034 WeakPolarHBondContact O-CB 3.38Å; L1031-V1034 PolarHBondContact O-N 3.48Å; L1031-V1034 VanDerWaalsContact O-N 3.16Å; L1032-V1034 VanDerWaalsContact C-N 3.32Å; L1032-V1034 PolarHBondContact O-N 2.92Å; V1034-I1036 VanDerWaalsContact C-N 3.34Å; V1034-I1036 PolarHBondContact O-N 3.31Å; V1034-L1037 WeakPolarHBondContact O-CB 3.39Å; V1034-L1037 PolarHBondContact O-N 3.01Å; V1034-L1038 HydrophobicContact CG1-CD1 4.1Å; V1034-L1038 VanDerWaalsContact O-CG 3.31Å; V1034-L1038 WeakPolarHBondContact O-CG 3.28Å; V1034-L1038 PolarHBondContact O-N 3.07Å
1035	L	94.9	Very high	95.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64.6	-38	179.3	-68.1	174.7	0	0	0	112.3	L1008 L1031 L1032 L1038 K1039 K1040 I1042 V1142	L1008-L1035 HydrophobicContact CD2-CD2 4.29Å; L1031-L1035 HydrophobicContact CD1-CD1 4.09Å; L1031-L1035 HydrophobicContact CD1-CG 4.05Å; L1031-L1035 HydrophobicContact CG-CD1 3.98Å; L1031-L1035 HydrophobicContact CG-CG 4.36Å; L1031-L1035 WeakPolarHBondContact O-CG 3.33Å; L1031-L1035 PolarHBondContact O-N 2.82Å; L1032-L1035 PolarHBondContact O-N 3.3Å; L1035-L1038 CarbonylContact O-C 3.6Å; L1035-L1038 PolarHBondContact O-N 3.29Å; L1035-K1039 PolarHBondContact O-N 3Å; L1035-K1040 HydrophobicContact CB-CB 4.34Å; L1035-K1040 HydrophobicContact CD2-CG 4.4Å; L1035-K1040 WeakPolarHBondContact O-CB 3.29Å; L1035-K1040 PolarHBondContact O-N 3.05Å; L1035-I1042 HydrophobicContact CB-CD1 3.45Å; L1035-I1042 VanDerWaalsContact CB-CD1 3.45Å; L1035-I1042 HydrophobicContact CB-CG1 4.11Å; L1035-I1042 HydrophobicContact CD1-CD1 4.21Å; L1035-I1042 HydrophobicContact CD1-CG1 4.34Å; L1035-V1142 HydrophobicContact CD1-CB 4.27Å; L1035-V1142 HydrophobicContact CD1-CG1 3.9Å; L1035-V1142 HydrophobicContact CD1-CG2 4.26Å; L1035-V1142 HydrophobicContact CD2-CG2 4.14Å
1036	I	94.9	Very high	95.7	Very high	14 Å²	14	27.6 Å²	27.6	7%	0.072	12%	0.122	C	C	.	.	H	α-helix	trans	-63.2	-43.8	173.7	-69.9	163.9	0	0	0	110.9	L1032 V1034 L1038 K1039 I1042 L1059 E1064 V1115 V1116	L1032-I1036 WeakPolarHBondContact O-CB 3.32Å; L1032-I1036 WeakPolarHBondContact O-CD1 3.43Å; L1032-I1036 WeakPolarHBondContact O-CG1 3.3Å; L1032-I1036 PolarHBondContact O-N 3.48Å; V1034-I1036 VanDerWaalsContact C-N 3.34Å; V1034-I1036 PolarHBondContact O-N 3.31Å; I1036-L1038 PolarHBondContact O-N 2.89Å; I1036-K1039 WeakPolarHBondContact O-CA 3.36Å; I1036-K1039 PolarHBondContact O-N 3.33Å; I1036-I1042 HydrophobicContact CG1-CD1 3.91Å; I1036-L1059 HydrophobicContact CD1-CD1 4.13Å; I1036-L1059 HydrophobicContact CD1-CD2 4.33Å; I1036-E1064 HydrophobicContact CD1-CG 4.07Å; I1036-E1064 WeakPolarHBondContact CG2-OE2 3.34Å; I1036-V1115 HydrophobicContact CB-CG1 4.49Å; I1036-V1115 HydrophobicContact CG1-CG1 3.92Å; I1036-V1115 HydrophobicContact CG2-CG1 4.41Å; I1036-V1116 HydrophobicContact CD1-CG2 3.82Å; I1036-V1116 HydrophobicContact CG1-CG2 4.03Å
1037	L	93.6	Very high	95.5	Very high	61 Å²	61	26.1 Å²	26.1	32%	0.319	12%	0.115	S	C	.	.	H	α-helix	trans	-61	-37.2	175.6	-177.4	148.9	0	0	0	111.1	E988 I989 I992 R1033 V1034 K1039	E988-L1037 HydrophobicContact CB-CD1 4.29Å; E988-L1037 HydrophobicContact CB-CD2 3.84Å; I989-L1037 HydrophobicContact CG2-CD2 4.28Å; I992-L1037 HydrophobicContact CD1-CD1 4.24Å; R1033-L1037 WeakPolarHBondContact O-CB 3.49Å; R1033-L1037 PolarHBondContact O-N 3.22Å; V1034-L1037 WeakPolarHBondContact O-CB 3.39Å; V1034-L1037 PolarHBondContact O-N 3.01Å; L1037-K1039 PolarHBondContact O-N 2.87Å
1038	L	91.3	Very high	95	Very high	37 Å²	37	27 Å²	27	19%	0.194	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	10.6	172.9	-64.2	175.9	0	0	0	114	I985 L1008 V1034 L1035 I1036 K1040	I985-L1038 HydrophobicContact CB-CD2 4.45Å; I985-L1038 HydrophobicContact CD1-CD2 4.03Å; I985-L1038 HydrophobicContact CG1-CD2 3.86Å; I985-L1038 HydrophobicContact CG2-CD2 3.83Å; L1008-L1038 HydrophobicContact CD2-CD1 3.5Å; L1008-L1038 VanDerWaalsContact CD2-CD1 3.5Å; V1034-L1038 HydrophobicContact CG1-CD1 4.1Å; V1034-L1038 VanDerWaalsContact O-CG 3.31Å; V1034-L1038 WeakPolarHBondContact O-CG 3.28Å; V1034-L1038 PolarHBondContact O-N 3.07Å; L1035-L1038 CarbonylContact O-C 3.6Å; L1035-L1038 PolarHBondContact O-N 3.29Å; I1036-L1038 PolarHBondContact O-N 2.89Å; L1038-K1040 HydrophobicContact CB-CG 4.2Å; L1038-K1040 PolarHBondContact O-N 3Å
1039	K	91.5	Very high	94.5	Very high	188 Å²	188	27.7 Å²	27.7	82%	0.817	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	33.4	177.9	-55.1	-177.7	178.9	-178.3	0	113.9	L1035 I1036 L1037	L1035-K1039 PolarHBondContact O-N 3Å; I1036-K1039 WeakPolarHBondContact O-CA 3.36Å; I1036-K1039 PolarHBondContact O-N 3.33Å; L1037-K1039 PolarHBondContact O-N 2.87Å
1040	K	92.4	Very high	94.1	Very high	25 Å²	25	28.3 Å²	28.3	11%	0.109	13%	0.129	C	C	.	.			trans	-85.3	138.7	176.2	-59.8	-58	-177.3	-179.4	0	110.9	L1035 L1038 I1042 V1115 D1141 V1142 I1173	L1035-K1040 HydrophobicContact CB-CB 4.34Å; L1035-K1040 HydrophobicContact CD2-CG 4.4Å; L1035-K1040 WeakPolarHBondContact O-CB 3.29Å; L1035-K1040 PolarHBondContact O-N 3.05Å; L1038-K1040 HydrophobicContact CB-CG 4.2Å; L1038-K1040 PolarHBondContact O-N 3Å; K1040-I1042 HydrophobicContact CB-CG1 4.35Å; K1040-V1115 VanDerWaalsContact O-CG1 3.29Å; K1040-V1115 WeakPolarHBondContact O-CG1 3.42Å; K1040-D1141 WeakPolarHBondContact CA-OD2 3.08Å; K1040-D1141 HydrophobicContact CB-CB 4.25Å; K1040-D1141 HydrophobicContact CD-CB 3.95Å; K1040-V1142 HydrophobicContact CB-CG2 4.43Å; K1040-I1173 PolarHBondContact NZ-O 3.09Å
1041	R	94.5	Very high	93.7	Very high	67 Å²	67	28.8 Å²	28.8	25%	0.253	13%	0.133	S	C	.	.			trans	-82.6	128.1	166.6	-64.8	-165.7	75	-159.5	4.1	109.6	M1111 Q1138 K1139 F1140 D1141 V1142	R1041-M1111 PolarHBondContact NH2-O 3.24Å; R1041-Q1138 VanDerWaalsContact NH1-OE1 3.13Å; R1041-K1139 PolarHBondContact NH1-O 3.5Å; R1041-F1140 HydrophobicContact CB-CD1 4.39Å; R1041-D1141 PolarHBondContact N-OD2 3.11Å; R1041-D1141 PolarHBondContact O-N 3.23Å; R1041-V1142 PolarHBondContact O-N 2.89Å; R1041-V1142 VanDerWaalsContact O-N 3.15Å
1042	I	97.3	Very high	93.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	128.4	-167.3	-52	152.1	0	0	0	110.2	L1032 L1035 I1036 K1040 V1044 V1115 V1116 V1117 F1140 V1142	L1032-I1042 HydrophobicContact CD2-CB 4.49Å; L1032-I1042 HydrophobicContact CD2-CD1 4.09Å; L1032-I1042 HydrophobicContact CD2-CG2 3.71Å; L1035-I1042 HydrophobicContact CB-CD1 3.45Å; L1035-I1042 VanDerWaalsContact CB-CD1 3.45Å; L1035-I1042 HydrophobicContact CB-CG1 4.11Å; L1035-I1042 HydrophobicContact CD1-CD1 4.21Å; L1035-I1042 HydrophobicContact CD1-CG1 4.34Å; I1036-I1042 HydrophobicContact CG1-CD1 3.91Å; K1040-I1042 HydrophobicContact CB-CG1 4.35Å; I1042-V1044 HydrophobicContact CG2-CG2 4.09Å; I1042-V1115 PolarHBondContact N-O 3.5Å; I1042-V1116 HydrophobicContact CB-CG2 4.42Å; I1042-V1116 HydrophobicContact CD1-CG2 4.16Å; I1042-V1116 WeakPolarHBondContact O-CA 3.49Å; I1042-V1117 PolarHBondContact O-N 3.45Å; I1042-F1140 VanDerWaalsContact C-CD1 3.45Å; I1042-V1142 CarbonylContact C-O 3.47Å; I1042-V1142 VanDerWaalsContact CA-O 3.32Å; I1042-V1142 WeakPolarHBondContact CA-O 3.1Å; I1042-V1142 HydrophobicContact CG1-CB 4.41Å; I1042-V1142 HydrophobicContact CG2-CB 4.45Å
1043	L	97.9	Very high	93.5	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	123.4	166.2	178.4	64.1	0	0	0	108.9	T1045 V1117 L1135 F1140 V1142 V1143 L1144 P1159 C1162	L1043-T1045 HydrophobicContact CD1-CG2 4.17Å; L1043-T1045 HydrophobicContact CD2-CG2 4.15Å; L1043-T1045 HydrophobicContact CG-CG2 3.86Å; L1043-V1117 CarbonylContact C-O 3.45Å; L1043-V1117 WeakPolarHBondContact CA-O 3.21Å; L1043-V1117 HydrophobicContact CD1-CB 4.31Å; L1043-V1117 HydrophobicContact CD1-CG1 4.28Å; L1043-L1135 HydrophobicContact CD1-CD2 4.48Å; L1043-F1140 HydrophobicContact CB-CB 4.07Å; L1043-F1140 HydrophobicContact CB-CD1 3.74Å; L1043-F1140 HydrophobicContact CB-CD2 3.66Å; L1043-F1140 HydrophobicContact CB-CE1 4.03Å; L1043-F1140 HydrophobicContact CB-CE2 3.97Å; L1043-F1140 HydrophobicContact CB-CG 3.54Å; L1043-F1140 HydrophobicContact CB-CZ 4.13Å; L1043-F1140 HydrophobicContact CD1-CE2 4.12Å; L1043-F1140 HydrophobicContact CD1-CZ 4.05Å; L1043-F1140 HydrophobicContact CD2-CD2 4.09Å; L1043-F1140 HydrophobicContact CD2-CE2 4.13Å; L1043-F1140 HydrophobicContact CG-CD2 4.34Å; L1043-F1140 HydrophobicContact CG-CE2 4.29Å; L1043-V1142 PolarHBondContact N-O 3.43Å; L1043-V1143 HydrophobicContact CB-CG2 4.19Å; L1043-V1143 HydrophobicContact CD2-CG2 4.26Å; L1043-V1143 CarbonylContact O-C 3.57Å; L1043-V1143 WeakPolarHBondContact O-CA 3.3Å; L1043-L1144 PolarHBondContact O-N 3.11Å; L1043-P1159 HydrophobicContact CD2-CB 4.35Å; L1043-C1162 HydrophobicContact CD2-CB 3.74Å
1044	V	98.3	Very high	93.3	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	123.3	176.3	172.7	0	0	0	0	108.7	L1032 I1042 L1055 L1056 V1116 V1117 G1118 C1119 L1144	L1032-V1044 HydrophobicContact CD1-CG2 4.27Å; L1032-V1044 HydrophobicContact CD2-CG2 3.74Å; I1042-V1044 HydrophobicContact CG2-CG2 4.09Å; V1044-L1055 HydrophobicContact CG1-CD2 3.46Å; V1044-L1055 VanDerWaalsContact CG1-CD2 3.46Å; V1044-L1055 HydrophobicContact CG1-CG 4.36Å; V1044-L1056 HydrophobicContact CG1-CD2 4.48Å; V1044-V1116 HydrophobicContact CG2-CG1 3.8Å; V1044-V1117 PolarHBondContact N-O 3.47Å; V1044-G1118 VanDerWaalsContact O-CA 3.26Å; V1044-G1118 WeakPolarHBondContact O-CA 3.35Å; V1044-C1119 PolarHBondContact O-N 3.45Å; V1044-L1144 CarbonylContact C-O 3.51Å; V1044-L1144 WeakPolarHBondContact CA-O 3.35Å; V1044-L1144 HydrophobicContact CG1-CD2 4.37Å; V1044-L1144 HydrophobicContact CG2-CB 4.47Å
1045	T	97.8	Very high	93.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	156.7	176	68.5	0	0	0	0	112.7	L1043 C1119 L1144 I1145 D1146 P1159	L1043-T1045 HydrophobicContact CD1-CG2 4.17Å; L1043-T1045 HydrophobicContact CD2-CG2 4.15Å; L1043-T1045 HydrophobicContact CG-CG2 3.86Å; T1045-C1119 WeakPolarHBondContact CA-O 3.28Å; T1045-L1144 PolarHBondContact N-O 3.37Å; T1045-I1145 CarbonylContact O-C 3.18Å; T1045-I1145 WeakPolarHBondContact O-CA 3.16Å; T1045-D1146 PolarHBondContact O-N 3.35Å; T1045-P1159 HydrophobicContact CG2-CB 4.02Å; T1045-P1159 HydrophobicContact CG2-CG 3.91Å
1046	A	95.3	Very high	93.4	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.008	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	174.2	172.9	0	0	0	0	0	110.8	A1051 V1052 T1120 A1121 D1146	A1046-A1051 HydrophobicContact CB-CB 3.6Å; A1046-V1052 HydrophobicContact CB-CG2 3.76Å; A1046-T1120 WeakPolarHBondContact O-CA 3.33Å; A1046-A1121 PolarHBondContact O-N 3.29Å; A1046-D1146 WeakPolarHBondContact CA-O 3.45Å; A1046-D1146 HydrophobicContact CB-CB 4.2Å
1047	H	88.7	Confident	93.5	Very high	54 Å²	54	28.5 Å²	28.5	25%	0.25	14%	0.138	C	C	.	.	S	Bend	trans	-65.6	-43.1	176.7	-177.8	55	0	0	0	113.2	L1151	H1047-L1151 HydrophobicContact CB-CD2 3.9Å; H1047-L1151 HydrophobicContact CB-CG 4.18Å
1048	T	86.8	Confident	93.6	Very high	20 Å²	20	31.1 Å²	31.1	12%	0.123	14%	0.144	C	C	.	.	S	Bend	trans	-115.6	156.1	-174.8	66.4	0	0	0	0	112.5	S1050 A1051 V1052	T1048-S1050 VanDerWaalsContact C-N 3.28Å; T1048-S1050 PolarHBondContact O-N 3.24Å; T1048-S1050 PolarHBondContact OG1-OG 3.4Å; T1048-A1051 PolarHBondContact O-N 2.85Å; T1048-A1051 WeakPolarHBondContact OG1-CB 3.43Å; T1048-A1051 PolarHBondContact OG1-N 3.38Å; T1048-A1051 VanDerWaalsContact OG1-N 3.16Å; T1048-V1052 PolarHBondContact O-N 3.37Å
1049	H	87.5	Confident	93.9	Very high	16 Å²	16	29.3 Å²	29.3	7%	0.074	14%	0.135	C	C	.	.	H	α-helix	trans	-58.8	-41	172.4	-72.5	-98.9	0	0	0	111.7	A1051 V1052 D1053 R1069	H1049-A1051 PolarHBondContact O-N 3.16Å; H1049-V1052 PolarHBondContact O-N 2.72Å; H1049-D1053 WeakPolarHBondContact O-CB 3.24Å; H1049-D1053 PolarHBondContact O-N 3.34Å; H1049-R1069 PolarHBondContact ND1-NH2 2.87Å; H1049-R1069 VanDerWaalsContact ND1-NH2 3.12Å
1050	S	87.6	Confident	94.1	Very high	16 Å²	16	21 Å²	21	11%	0.112	10%	0.1	C	C	.	.	H	α-helix	trans	-62	-38.4	179.2	53.1	0	0	0	0	113.4	Q148 T1048 D1053 N1054	Q148-S1050 VanDerWaalsContact OE1-CB 3.3Å; Q148-S1050 PolarHBondContact OE1-OG 3.33Å; T1048-S1050 VanDerWaalsContact C-N 3.28Å; T1048-S1050 PolarHBondContact O-N 3.24Å; T1048-S1050 PolarHBondContact OG1-OG 3.4Å; S1050-D1053 PolarHBondContact O-N 3.3Å; S1050-N1054 VanDerWaalsContact O-CB 3.29Å; S1050-N1054 WeakPolarHBondContact O-CB 3.34Å; S1050-N1054 PolarHBondContact O-N 2.65Å; S1050-N1054 PolarHBondContact O-ND2 2.99Å; S1050-N1054 VanDerWaalsContact O-ND2 3.11Å
1051	A	90.4	Very high	94.3	Very high	13 Å²	13	26.5 Å²	26.5	11%	0.107	13%	0.126	C	C	.	.	H	α-helix	trans	-65.4	-45.4	177.3	0	0	0	0	0	111.3	A1046 T1048 H1049 D1053 L1055	A1046-A1051 HydrophobicContact CB-CB 3.6Å; T1048-A1051 PolarHBondContact O-N 2.85Å; T1048-A1051 WeakPolarHBondContact OG1-CB 3.43Å; T1048-A1051 PolarHBondContact OG1-N 3.38Å; T1048-A1051 VanDerWaalsContact OG1-N 3.16Å; H1049-A1051 PolarHBondContact O-N 3.16Å; A1051-D1053 PolarHBondContact O-N 2.89Å; A1051-L1055 PolarHBondContact O-N 3.33Å
1052	V	94.9	Very high	94.2	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	13%	0.133	C	C	.	.	H	α-helix	trans	-59.2	-49.2	174	-179.2	0	0	0	0	110.5	A1046 T1048 H1049 N1054 L1055 L1056 C1119	A1046-V1052 HydrophobicContact CB-CG2 3.76Å; T1048-V1052 PolarHBondContact O-N 3.37Å; H1049-V1052 PolarHBondContact O-N 2.72Å; V1052-N1054 PolarHBondContact O-N 2.78Å; V1052-L1055 PolarHBondContact O-N 3.03Å; V1052-L1056 HydrophobicContact CG1-CD1 4.05Å; V1052-L1056 HydrophobicContact CG1-CG 4.2Å; V1052-L1056 WeakPolarHBondContact O-CG 3.46Å; V1052-L1056 PolarHBondContact O-N 3.06Å; V1052-C1119 WeakPolarHBondContact CG2-O 3.3Å
1053	D	95.1	Very high	94.1	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.016	16%	0.161	C	C	.	.	H	α-helix	trans	-65	-42	-175.3	-69.9	11	0	0	0	111.9	H1049 S1050 A1051 L1055 L1056 L1057 R1069 I1076 L1077 L1080	H1049-D1053 WeakPolarHBondContact O-CB 3.24Å; H1049-D1053 PolarHBondContact O-N 3.34Å; S1050-D1053 PolarHBondContact O-N 3.3Å; A1051-D1053 PolarHBondContact O-N 2.89Å; D1053-L1055 VanDerWaalsContact C-N 3.29Å; D1053-L1055 PolarHBondContact O-N 2.94Å; D1053-L1056 PolarHBondContact O-N 3.29Å; D1053-L1057 WeakPolarHBondContact O-CB 3.3Å; D1053-L1057 PolarHBondContact O-N 2.95Å; D1053-R1069 IonicContact OD1-CZ 3.4Å; D1053-R1069 IonicContact OD1-NE 3.55Å; D1053-R1069 PolarHBondContact OD1-NE 3.41Å; D1053-R1069 IonicContact OD1-NH2 3.14Å; D1053-R1069 PolarHBondContact OD1-NH2 3.23Å; D1053-I1076 WeakPolarHBondContact OD2-CA 3.35Å; D1053-L1077 HydrophobicContact CB-CB 4.35Å; D1053-L1077 HydrophobicContact CB-CD1 3.67Å; D1053-L1077 HydrophobicContact CB-CG 3.8Å; D1053-L1077 PolarHBondContact OD2-N 2.82Å; D1053-L1080 HydrophobicContact CB-CD1 3.72Å; D1053-L1080 WeakPolarHBondContact O-CD1 3.44Å
1054	N	93	Very high	93.9	Very high	62 Å²	62	30.2 Å²	30.2	33%	0.332	17%	0.166	S	C	.	.	H	α-helix	trans	-59.6	-40.5	176.2	-76.8	-29.2	0	0	0	112	S1050 V1052 R1058	S1050-N1054 VanDerWaalsContact O-CB 3.29Å; S1050-N1054 WeakPolarHBondContact O-CB 3.34Å; S1050-N1054 PolarHBondContact O-N 2.65Å; S1050-N1054 PolarHBondContact O-ND2 2.99Å; S1050-N1054 VanDerWaalsContact O-ND2 3.11Å; V1052-N1054 PolarHBondContact O-N 2.78Å; N1054-R1058 WeakPolarHBondContact O-CG 3.21Å; N1054-R1058 PolarHBondContact O-N 3.1Å
1055	L	95.7	Very high	93.7	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-71.5	-47.3	178.5	-175.3	60.6	0	0	0	111.3	T1025 L1028 I1029 L1032 V1044 A1051 V1052 D1053 L1059 L1144	T1025-L1055 HydrophobicContact CG2-CD1 4.06Å; L1028-L1055 HydrophobicContact CB-CD1 3.72Å; L1028-L1055 HydrophobicContact CD1-CD1 4.38Å; L1028-L1055 HydrophobicContact CD1-CD2 4.27Å; I1029-L1055 HydrophobicContact CD1-CD1 3.65Å; I1029-L1055 WeakPolarHBondContact CD1-O 3.09Å; I1029-L1055 HydrophobicContact CG1-CD1 4.17Å; L1032-L1055 HydrophobicContact CD1-CD1 4.13Å; L1032-L1055 HydrophobicContact CD1-CD2 4.31Å; L1032-L1055 HydrophobicContact CD1-CG 4.12Å; V1044-L1055 HydrophobicContact CG1-CD2 3.46Å; V1044-L1055 VanDerWaalsContact CG1-CD2 3.46Å; V1044-L1055 HydrophobicContact CG1-CG 4.36Å; A1051-L1055 PolarHBondContact O-N 3.33Å; V1052-L1055 PolarHBondContact O-N 3.03Å; D1053-L1055 VanDerWaalsContact C-N 3.29Å; D1053-L1055 PolarHBondContact O-N 2.94Å; L1055-L1059 PolarHBondContact O-N 3Å; L1055-L1059 VanDerWaalsContact O-N 3.09Å; L1055-L1144 HydrophobicContact CD2-CD2 4.05Å
1056	L	97.6	Very high	93.6	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-67.4	-39.2	179.8	-64	-170.3	0	0	0	112.8	V1044 V1052 D1053 R1058 L1059 C1060 V1067 R1069 L1080 V1116	V1044-L1056 HydrophobicContact CG1-CD2 4.48Å; V1052-L1056 HydrophobicContact CG1-CD1 4.05Å; V1052-L1056 HydrophobicContact CG1-CG 4.2Å; V1052-L1056 WeakPolarHBondContact O-CG 3.46Å; V1052-L1056 PolarHBondContact O-N 3.06Å; D1053-L1056 PolarHBondContact O-N 3.29Å; L1056-R1058 PolarHBondContact O-N 2.81Å; L1056-L1059 WeakPolarHBondContact O-CB 3.43Å; L1056-L1059 PolarHBondContact O-N 3.46Å; L1056-C1060 PolarHBondContact O-N 3.3Å; L1056-C1060 PolarHBondContact O-SG 2.68Å; L1056-V1067 HydrophobicContact CB-CG1 4.49Å; L1056-V1067 HydrophobicContact CD1-CG1 4.05Å; L1056-V1067 HydrophobicContact CD2-CG1 3.95Å; L1056-V1067 HydrophobicContact CG-CG1 4.39Å; L1056-R1069 HydrophobicContact CD1-CB 4.04Å; L1056-R1069 HydrophobicContact CD1-CG 4.34Å; L1056-L1080 HydrophobicContact CB-CD1 4.2Å; L1056-L1080 HydrophobicContact CB-CD2 4.33Å; L1056-V1116 HydrophobicContact CD2-CG1 4.04Å
1057	L	96.6	Very high	93.7	Very high	33 Å²	33	40 Å²	40	17%	0.173	21%	0.213	C	C	.	.	H	α-helix	trans	-60.6	-46	179.2	180	61.8	0	0	0	111	D1053 L1059 C1060 Q1061 L1077 D1079 L1080	D1053-L1057 WeakPolarHBondContact O-CB 3.3Å; D1053-L1057 PolarHBondContact O-N 2.95Å; L1057-L1059 VanDerWaalsContact C-N 3.33Å; L1057-L1059 PolarHBondContact O-N 2.63Å; L1057-C1060 PolarHBondContact O-N 2.54Å; L1057-Q1061 VanDerWaalsContact O-CG 3.3Å; L1057-Q1061 WeakPolarHBondContact O-CG 3.23Å; L1057-Q1061 PolarHBondContact O-N 3.13Å; L1057-L1077 HydrophobicContact CD2-CD1 4.2Å; L1057-D1079 HydrophobicContact CD1-CB 3.87Å; L1057-L1080 HydrophobicContact CB-CD1 4.29Å; L1057-L1080 HydrophobicContact CB-CD2 4.25Å; L1057-L1080 HydrophobicContact CB-CG 4.31Å; L1057-L1080 HydrophobicContact CD1-CD2 4.31Å; L1057-L1080 HydrophobicContact CD1-CG 4.44Å
1058	R	96.1	Very high	94.2	Very high	115 Å²	115	37.5 Å²	37.5	43%	0.434	20%	0.202	S	C	.	.	H	α-helix	trans	-65.4	-35.2	175.9	-71.6	-172.2	-168.6	-172.1	4.9	112.5	I1029 N1054 L1056 Q1061 T1062	I1029-R1058 HydrophobicContact CD1-CB 3.8Å; I1029-R1058 HydrophobicContact CG1-CB 3.93Å; N1054-R1058 WeakPolarHBondContact O-CG 3.21Å; N1054-R1058 PolarHBondContact O-N 3.1Å; L1056-R1058 PolarHBondContact O-N 2.81Å; R1058-Q1061 WeakPolarHBondContact O-CB 3.35Å; R1058-Q1061 PolarHBondContact O-N 2.84Å; R1058-T1062 WeakPolarHBondContact O-CG2 3.43Å; R1058-T1062 PolarHBondContact O-N 2.99Å
1059	L	97.2	Very high	94.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.3	-46.7	173.7	179.8	64.8	0	0	0	110.8	I1029 L1032 R1033 I1036 L1055 L1056 L1057 Q1061 T1062 E1064 V1067 V1116	I1029-L1059 HydrophobicContact CD1-CB 3.79Å; I1029-L1059 VanDerWaalsContact CD1-N 3.34Å; L1032-L1059 HydrophobicContact CB-CD1 4.19Å; L1032-L1059 HydrophobicContact CD1-CD2 4.31Å; R1033-L1059 HydrophobicContact CG-CD1 4.19Å; I1036-L1059 HydrophobicContact CD1-CD1 4.13Å; I1036-L1059 HydrophobicContact CD1-CD2 4.33Å; L1055-L1059 PolarHBondContact O-N 3Å; L1055-L1059 VanDerWaalsContact O-N 3.09Å; L1056-L1059 WeakPolarHBondContact O-CB 3.43Å; L1056-L1059 PolarHBondContact O-N 3.46Å; L1057-L1059 VanDerWaalsContact C-N 3.33Å; L1057-L1059 PolarHBondContact O-N 2.63Å; L1059-Q1061 VanDerWaalsContact C-N 3.26Å; L1059-Q1061 PolarHBondContact O-N 3.42Å; L1059-T1062 WeakPolarHBondContact O-CB 3.02Å; L1059-T1062 PolarHBondContact O-N 3.39Å; L1059-T1062 PolarHBondContact O-OG1 3.33Å; L1059-E1064 HydrophobicContact CD1-CB 4.38Å; L1059-E1064 HydrophobicContact CG-CB 4.26Å; L1059-V1067 HydrophobicContact CD2-CG2 3.93Å; L1059-V1116 HydrophobicContact CD2-CB 4.3Å; L1059-V1116 HydrophobicContact CD2-CG1 4.19Å; L1059-V1116 HydrophobicContact CD2-CG2 3.98Å
1060	C	96.2	Very high	95	Very high	14 Å²	14	35.8 Å²	35.8	10%	0.095	19%	0.192	C	C	.	.	H	α-helix	trans	-61.4	-35.9	178.4	-63.4	0	0	0	0	111.8	L1056 L1057 T1062 G1063 E1064 Y1083	L1056-C1060 PolarHBondContact O-N 3.3Å; L1056-C1060 PolarHBondContact O-SG 2.68Å; L1057-C1060 PolarHBondContact O-N 2.54Å; C1060-T1062 PolarHBondContact O-N 2.98Å; C1060-T1062 VanDerWaalsContact O-N 3.16Å; C1060-G1063 PolarHBondContact O-N 3.21Å; C1060-E1064 WeakPolarHBondContact CA-O 3.44Å; C1060-Y1083 HydrophobicContact CB-CE2 4.07Å
1061	Q	95.3	Very high	94.9	Very high	139 Å²	139	35.1 Å²	35.1	65%	0.65	19%	0.188	S	C	*	.	H	α-helix	trans	-62.1	-18.8	174	-73	169.4	-7.8	0	0	113.7	L1057 R1058 L1059 G1063	L1057-Q1061 VanDerWaalsContact O-CG 3.3Å; L1057-Q1061 WeakPolarHBondContact O-CG 3.23Å; L1057-Q1061 PolarHBondContact O-N 3.13Å; R1058-Q1061 WeakPolarHBondContact O-CB 3.35Å; R1058-Q1061 PolarHBondContact O-N 2.84Å; L1059-Q1061 VanDerWaalsContact C-N 3.26Å; L1059-Q1061 PolarHBondContact O-N 3.42Å; Q1061-G1063 PolarHBondContact O-N 3.4Å
1062	T	93.9	Very high	94.1	Very high	64 Å²	64	37.2 Å²	37.2	39%	0.393	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-0.7	172.8	73.7	0	0	0	0	113.8	I1029 R1058 L1059 C1060	I1029-T1062 HydrophobicContact CG2-CG2 3.93Å; R1058-T1062 WeakPolarHBondContact O-CG2 3.43Å; R1058-T1062 PolarHBondContact O-N 2.99Å; L1059-T1062 WeakPolarHBondContact O-CB 3.02Å; L1059-T1062 PolarHBondContact O-N 3.39Å; L1059-T1062 PolarHBondContact O-OG1 3.33Å; C1060-T1062 PolarHBondContact O-N 2.98Å; C1060-T1062 VanDerWaalsContact O-N 3.16Å
1063	G	93.7	Very high	93.3	Very high	58 Å²	58	39.6 Å²	39.6	60%	0.598	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.8	-0.1	-179.6	0	0	0	0	0	114.4	C1060 Q1061 T1065	C1060-G1063 PolarHBondContact O-N 3.21Å; Q1061-G1063 PolarHBondContact O-N 3.4Å; G1063-T1065 PolarHBondContact O-N 3.16Å
1064	E	95	Very high	92.1	Very high	24 Å²	24	47.3 Å²	47.3	11%	0.112	25%	0.249	C	C	.	.			trans	-73.1	127.6	174.3	-177.7	56.4	-101.7	0	0	110.5	I1036 L1059 C1060 R1066 V1067	I1036-E1064 HydrophobicContact CD1-CG 4.07Å; I1036-E1064 WeakPolarHBondContact CG2-OE2 3.34Å; L1059-E1064 HydrophobicContact CD1-CB 4.38Å; L1059-E1064 HydrophobicContact CG-CB 4.26Å; C1060-E1064 WeakPolarHBondContact CA-O 3.44Å; E1064-R1066 WeakPolarHBondContact OE1-CB 3.47Å; E1064-R1066 WeakPolarHBondContact OE1-CG 3.43Å; E1064-R1066 IonicContact OE1-CZ 3.56Å; E1064-R1066 PolarHBondContact OE1-N 3.06Å; E1064-R1066 IonicContact OE1-NE 3.62Å; E1064-R1066 PolarHBondContact OE1-NE 3.04Å; E1064-R1066 IonicContact OE1-NH2 2.97Å; E1064-R1066 IonicContact OE2-CZ 3.5Å; E1064-R1066 IonicContact OE2-NE 2.81Å; E1064-R1066 PolarHBondContact OE2-NE 2.87Å; E1064-R1066 IonicContact OE2-NH2 3.55Å; E1064-R1066 PolarHBondContact OE2-NH2 2.83Å; E1064-V1067 HydrophobicContact CG-CG2 4Å
1065	T	93.5	Very high	91.3	Very high	91 Å²	91	46.8 Å²	46.8	56%	0.558	24%	0.242	S	C	*	.			trans	-115.9	-14	-176.8	52.5	0	0	0	0	113.4	G1063 V1067	G1063-T1065 PolarHBondContact O-N 3.16Å; T1065-V1067 PolarHBondContact O-N 3.44Å
1066	R	96.4	Very high	90.9	Very high	114 Å²	114	47.2 Å²	47.2	43%	0.43	24%	0.244	S	C	.	.			trans	-80.2	49.4	179.6	-60.6	170.7	-64.9	167.3	1.8	111.9	E1064 D1113 V1115 V1116	E1064-R1066 WeakPolarHBondContact OE1-CB 3.47Å; E1064-R1066 WeakPolarHBondContact OE1-CG 3.43Å; E1064-R1066 IonicContact OE1-CZ 3.56Å; E1064-R1066 PolarHBondContact OE1-N 3.06Å; E1064-R1066 IonicContact OE1-NE 3.62Å; E1064-R1066 PolarHBondContact OE1-NE 3.04Å; E1064-R1066 IonicContact OE1-NH2 2.97Å; E1064-R1066 IonicContact OE2-CZ 3.5Å; E1064-R1066 IonicContact OE2-NE 2.81Å; E1064-R1066 PolarHBondContact OE2-NE 2.87Å; E1064-R1066 IonicContact OE2-NH2 3.55Å; E1064-R1066 PolarHBondContact OE2-NH2 2.83Å; R1066-D1113 WeakPolarHBondContact CB-O 3.23Å; R1066-V1115 HydrophobicContact CB-CB 4.19Å; R1066-V1115 HydrophobicContact CB-CG2 3.91Å; R1066-V1115 PolarHBondContact O-N 3.03Å; R1066-V1116 PolarHBondContact O-N 3.24Å; R1066-V1116 VanDerWaalsContact O-N 3.15Å
1067	V	97.1	Very high	90.4	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.006	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	137.5	-177.3	-175.9	0	0	0	0	109.4	L1056 L1059 E1064 T1065 Y1083 V1116	L1056-V1067 HydrophobicContact CB-CG1 4.49Å; L1056-V1067 HydrophobicContact CD1-CG1 4.05Å; L1056-V1067 HydrophobicContact CD2-CG1 3.95Å; L1056-V1067 HydrophobicContact CG-CG1 4.39Å; L1059-V1067 HydrophobicContact CD2-CG2 3.93Å; E1064-V1067 HydrophobicContact CG-CG2 4Å; T1065-V1067 PolarHBondContact O-N 3.44Å; V1067-Y1083 HydrophobicContact CB-CD1 4.08Å; V1067-V1116 CarbonylContact C-O 3.52Å; V1067-V1116 VanDerWaalsContact CA-O 3.32Å; V1067-V1116 WeakPolarHBondContact CA-O 3.44Å; V1067-V1116 HydrophobicContact CG2-CB 4.32Å
1068	I	97.5	Very high	90	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.015	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	130	171.2	-69.7	-63.4	0	0	0	110.4	L1070 Y1083 F1085 K1088 I1110 M1111 A1114 V1116 V1117 G1118	I1068-L1070 HydrophobicContact CG2-CD2 3.73Å; I1068-L1070 HydrophobicContact CG2-CG 4.42Å; I1068-Y1083 WeakPolarHBondContact CA-O 3.44Å; I1068-F1085 HydrophobicContact CG2-CB 3.8Å; I1068-K1088 HydrophobicContact CD1-CD 4.02Å; I1068-I1110 HydrophobicContact CD1-CG2 3.48Å; I1068-I1110 VanDerWaalsContact CD1-CG2 3.48Å; I1068-I1110 HydrophobicContact CG1-CG2 3.92Å; I1068-M1111 HydrophobicContact CG2-SD 4.19Å; I1068-A1114 HydrophobicContact CB-CB 4.03Å; I1068-A1114 HydrophobicContact CG1-CB 3.52Å; I1068-V1116 PolarHBondContact N-O 3.15Å; I1068-V1117 HydrophobicContact CB-CG2 4.49Å; I1068-V1117 CarbonylContact O-C 3.57Å; I1068-V1117 WeakPolarHBondContact O-CA 3.45Å; I1068-G1118 PolarHBondContact O-N 3.26Å
1069	R	96.7	Very high	89.8	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	121.2	175.4	177.9	64	174.8	94.5	-0.2	109.6	H1049 D1053 L1056 I1076 Y1083 S1084 F1085 G1118	H1049-R1069 PolarHBondContact ND1-NH2 2.87Å; H1049-R1069 VanDerWaalsContact ND1-NH2 3.12Å; D1053-R1069 IonicContact OD1-CZ 3.4Å; D1053-R1069 IonicContact OD1-NE 3.55Å; D1053-R1069 PolarHBondContact OD1-NE 3.41Å; D1053-R1069 IonicContact OD1-NH2 3.14Å; D1053-R1069 PolarHBondContact OD1-NH2 3.23Å; L1056-R1069 HydrophobicContact CD1-CB 4.04Å; L1056-R1069 HydrophobicContact CD1-CG 4.34Å; R1069-I1076 HydrophobicContact CG-CD1 3.79Å; R1069-I1076 HydrophobicContact CG-CG1 4.1Å; R1069-I1076 HydrophobicContact CG-CG2 4.2Å; R1069-Y1083 PolarHBondContact N-O 3.31Å; R1069-S1084 WeakPolarHBondContact O-CA 3.41Å; R1069-F1085 PolarHBondContact O-N 2.96Å; R1069-G1118 WeakPolarHBondContact CA-O 3.39Å; R1069-G1118 WeakPolarHBondContact CD-O 3.5Å
1070	L	94.8	Very high	89.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.274	C	S	.	.			trans	-103.7	120.3	177.3	-52.2	179	0	0	0	111.3	I1068 F1085 V1117 G1118 C1119 A1134 L1135	I1068-L1070 HydrophobicContact CG2-CD2 3.73Å; I1068-L1070 HydrophobicContact CG2-CG 4.42Å; L1070-F1085 HydrophobicContact CD2-CB 3.41Å; L1070-F1085 VanDerWaalsContact CD2-CB 3.41Å; L1070-F1085 HydrophobicContact CD2-CD1 4.25Å; L1070-F1085 HydrophobicContact CD2-CD2 4.39Å; L1070-F1085 HydrophobicContact CD2-CG 3.77Å; L1070-V1117 HydrophobicContact CD1-CG1 3.69Å; L1070-V1117 HydrophobicContact CG-CG1 3.86Å; L1070-G1118 PolarHBondContact N-O 3.01Å; L1070-C1119 HydrophobicContact CB-CB 3.94Å; L1070-A1134 HydrophobicContact CD1-CB 4.45Å; L1070-A1134 HydrophobicContact CD2-CB 4.09Å; L1070-L1135 HydrophobicContact CD1-CD1 4.05Å; L1070-L1135 HydrophobicContact CD1-CD2 3.56Å; L1070-L1135 HydrophobicContact CD1-CG 3.57Å
1071	G	85.9	Confident	89.4	Confident	2 Å²	2	52 Å²	52	2%	0.021	28%	0.282	C	S	.	.	S	Bend	trans	162.5	172.6	174.3	0	0	0	0	0	113	M1073 I1076 E1086	G1071-M1073 PolarHBondContact O-N 2.96Å; G1071-I1076 WeakPolarHBondContact O-CD1 3.24Å; G1071-E1086 VanDerWaalsContact N-CD 3.31Å; G1071-E1086 PolarHBondContact N-OE1 2.84Å; G1071-E1086 PolarHBondContact N-OE2 3.3Å; G1071-E1086 VanDerWaalsContact O-OE2 3.05Å
1072	Q	74.1	Confident	89.2	Confident	57 Å²	57	50.6 Å²	50.6	27%	0.266	28%	0.279	S	S	.	.			trans	-60	129.2	178.7	-64.7	-173.4	-27.4	0	0	111.8	D1074 R1075	Q1072-D1074 PolarHBondContact O-N 2.78Å; Q1072-R1075 PolarHBondContact O-N 2.9Å
1073	M	77.4	Confident	89.2	Confident	51 Å²	51	49.7 Å²	49.7	25%	0.251	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-56.4	-35.6	-175	-66.4	175	49.6	0	0	113.4	G1071 R1075 I1076 E1086 Y1087 N1090	G1071-M1073 PolarHBondContact O-N 2.96Å; M1073-R1075 PolarHBondContact O-N 2.8Å; M1073-I1076 PolarHBondContact O-N 2.68Å; M1073-E1086 HydrophobicContact CG-CB 3.91Å; M1073-E1086 HydrophobicContact SD-CB 4.23Å; M1073-Y1087 HydrophobicContact CE-CD2 3.54Å; M1073-Y1087 HydrophobicContact CE-CE2 4.41Å; M1073-Y1087 HydrophobicContact CE-CG 4.37Å; M1073-N1090 PolarHBondContact SD-ND2 2.82Å; M1073-N1090 VanDerWaalsContact SD-ND2 3.37Å
1074	D	70.8	Confident	89.2	Confident	165 Å²	165	47 Å²	47	88%	0.882	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-71	-13.8	-178.8	-57.7	-34.6	0	0	0	113.7	Q1072	Q1072-D1074 PolarHBondContact O-N 2.78Å
1075	R	76.7	Confident	89.2	Confident	50 Å²	50	45.8 Å²	45.8	19%	0.189	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-107.1	1.1	179.2	-61.2	-173.3	179	-165.3	-2.3	113.3	N142 Q1072 M1073	N142-R1075 VanDerWaalsContact OD1-CZ 3.26Å; N142-R1075 PolarHBondContact OD1-NH1 2.6Å; N142-R1075 PolarHBondContact OD1-NH2 2.9Å; Q1072-R1075 PolarHBondContact O-N 2.9Å; M1073-R1075 PolarHBondContact O-N 2.8Å
1076	I	85.7	Confident	89	Confident	10 Å²	10	42.7 Å²	42.7	5%	0.051	21%	0.214	C	C	.	.	S	Bend	trans	-95.6	137.3	178.1	-66.1	170.8	0	0	0	108.6	D1053 R1069 G1071 M1073 L1080	D1053-I1076 WeakPolarHBondContact OD2-CA 3.35Å; R1069-I1076 HydrophobicContact CG-CD1 3.79Å; R1069-I1076 HydrophobicContact CG-CG1 4.1Å; R1069-I1076 HydrophobicContact CG-CG2 4.2Å; G1071-I1076 WeakPolarHBondContact O-CD1 3.24Å; M1073-I1076 PolarHBondContact O-N 2.68Å; I1076-L1080 HydrophobicContact CG2-CB 3.76Å
1077	L	88	Confident	88.7	Confident	23 Å²	23	41.1 Å²	41.1	12%	0.12	21%	0.209	C	C	.	.			trans	-53.6	134.4	172.8	-74.6	-179.6	0	0	0	110.9	I149 D1053 L1057 D1079 L1080	I149-L1077 HydrophobicContact CG1-CD2 4.33Å; I149-L1077 HydrophobicContact CG2-CD2 4.17Å; D1053-L1077 HydrophobicContact CB-CB 4.35Å; D1053-L1077 HydrophobicContact CB-CD1 3.67Å; D1053-L1077 HydrophobicContact CB-CG 3.8Å; D1053-L1077 PolarHBondContact OD2-N 2.82Å; L1057-L1077 HydrophobicContact CD2-CD1 4.2Å; L1077-D1079 PolarHBondContact O-N 2.83Å; L1077-D1079 VanDerWaalsContact O-N 3.09Å; L1077-L1080 HydrophobicContact CB-CD1 4.48Å; L1077-L1080 WeakPolarHBondContact O-CA 3.42Å; L1077-L1080 WeakPolarHBondContact O-CB 3.43Å; L1077-L1080 PolarHBondContact O-N 2.81Å
1078	P	88.1	Confident	88.5	Confident	85 Å²	85	43.8 Å²	43.8	55%	0.552	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-51.8	-38.2	-177.5	-30.4	36	0	0	0	114.6	L1080 L1081	P1078-L1080 PolarHBondContact O-N 2.86Å; P1078-L1081 WeakPolarHBondContact O-CB 3.44Å; P1078-L1081 WeakPolarHBondContact O-CG 3.26Å; P1078-L1081 PolarHBondContact O-N 3.43Å; P1078-L1081 VanDerWaalsContact O-N 3.15Å
1079	D	92	Very high	88.1	Confident	107 Å²	107	43.7 Å²	43.7	57%	0.572	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-66.2	-18.8	179.7	-61.8	-20.3	0	0	0	113.2	L1057 L1077	L1057-D1079 HydrophobicContact CD1-CB 3.87Å; L1077-D1079 PolarHBondContact O-N 2.83Å; L1077-D1079 VanDerWaalsContact O-N 3.09Å
1080	L	93.6	Very high	87.5	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-96.9	-2.8	177.5	-71.8	178.4	0	0	0	113.8	D1053 L1056 L1057 I1076 L1077 P1078 N1082 Y1083 S1084	D1053-L1080 HydrophobicContact CB-CD1 3.72Å; D1053-L1080 WeakPolarHBondContact O-CD1 3.44Å; L1056-L1080 HydrophobicContact CB-CD1 4.2Å; L1056-L1080 HydrophobicContact CB-CD2 4.33Å; L1057-L1080 HydrophobicContact CB-CD1 4.29Å; L1057-L1080 HydrophobicContact CB-CD2 4.25Å; L1057-L1080 HydrophobicContact CB-CG 4.31Å; L1057-L1080 HydrophobicContact CD1-CD2 4.31Å; L1057-L1080 HydrophobicContact CD1-CG 4.44Å; I1076-L1080 HydrophobicContact CG2-CB 3.76Å; L1077-L1080 HydrophobicContact CB-CD1 4.48Å; L1077-L1080 WeakPolarHBondContact O-CA 3.42Å; L1077-L1080 WeakPolarHBondContact O-CB 3.43Å; L1077-L1080 PolarHBondContact O-N 2.81Å; P1078-L1080 PolarHBondContact O-N 2.86Å; L1080-N1082 PolarHBondContact O-N 3.18Å; L1080-Y1083 HydrophobicContact CD2-CD2 3.97Å; L1080-Y1083 CarbonylContact O-C 3.55Å; L1080-Y1083 WeakPolarHBondContact O-CA 3.23Å; L1080-Y1083 WeakPolarHBondContact O-CB 3.35Å; L1080-Y1083 PolarHBondContact O-N 3.34Å; L1080-S1084 PolarHBondContact O-N 3.08Å; L1080-S1084 VanDerWaalsContact O-N 3.16Å
1081	L	91	Very high	87	Confident	47 Å²	47	47.2 Å²	47.2	25%	0.246	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-57.7	-35.7	-178.1	-72.9	172.3	0	0	0	112.3	P1078 Y1083 S1084 Y1087	P1078-L1081 WeakPolarHBondContact O-CB 3.44Å; P1078-L1081 WeakPolarHBondContact O-CG 3.26Å; P1078-L1081 PolarHBondContact O-N 3.43Å; P1078-L1081 VanDerWaalsContact O-N 3.15Å; L1081-Y1083 PolarHBondContact O-N 2.88Å; L1081-S1084 WeakPolarHBondContact O-CB 3.48Å; L1081-S1084 PolarHBondContact O-N 3.37Å; L1081-Y1087 WeakPolarHBondContact O-CB 3.21Å; L1081-Y1087 WeakPolarHBondContact O-CD1 3.46Å
1082	N	91.1	Very high	87.1	Confident	111 Å²	111	48.9 Å²	48.9	59%	0.594	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-65	-18.5	176.1	-67.7	-19.8	0	0	0	113.7	L1080 K1088	L1080-N1082 PolarHBondContact O-N 3.18Å; N1082-K1088 WeakPolarHBondContact O-CE 3.4Å
1083	Y	94.6	Very high	87.5	Confident	45 Å²	45	47.5 Å²	47.5	18%	0.176	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-99.9	-8.2	175.2	-58.7	-83.9	0	0	0	112.5	C1060 V1067 I1068 R1069 L1080 L1081 F1085	C1060-Y1083 HydrophobicContact CB-CE2 4.07Å; V1067-Y1083 HydrophobicContact CB-CD1 4.08Å; I1068-Y1083 WeakPolarHBondContact CA-O 3.44Å; R1069-Y1083 PolarHBondContact N-O 3.31Å; L1080-Y1083 HydrophobicContact CD2-CD2 3.97Å; L1080-Y1083 CarbonylContact O-C 3.55Å; L1080-Y1083 WeakPolarHBondContact O-CA 3.23Å; L1080-Y1083 WeakPolarHBondContact O-CB 3.35Å; L1080-Y1083 PolarHBondContact O-N 3.34Å; L1081-Y1083 PolarHBondContact O-N 2.88Å; Y1083-F1085 PolarHBondContact O-N 3.28Å
1084	S	94.2	Very high	87.5	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-67.7	128.6	177.3	164.8	0	0	0	0	110.7	R1069 L1080 L1081 E1086 Y1087 K1088	R1069-S1084 WeakPolarHBondContact O-CA 3.41Å; L1080-S1084 PolarHBondContact O-N 3.08Å; L1080-S1084 VanDerWaalsContact O-N 3.16Å; L1081-S1084 WeakPolarHBondContact O-CB 3.48Å; L1081-S1084 PolarHBondContact O-N 3.37Å; S1084-E1086 VanDerWaalsContact C-N 3.35Å; S1084-E1086 PolarHBondContact OG-N 3.41Å; S1084-E1086 PolarHBondContact OG-OE2 2.95Å; S1084-E1086 VanDerWaalsContact OG-OE2 3.05Å; S1084-Y1087 PolarHBondContact O-N 3.44Å; S1084-Y1087 PolarHBondContact OG-N 3.09Å; S1084-Y1087 VanDerWaalsContact OG-N 3.13Å; S1084-K1088 WeakPolarHBondContact O-CG 3.24Å; S1084-K1088 PolarHBondContact O-N 2.97Å
1085	F	94.8	Very high	87.9	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60.7	-46.8	174.4	173.4	-93.9	0	0	0	111.2	L517 I1068 R1069 L1070 Y1083 Y1087 K1088 L1089 I1107 I1110 M1111 A1134	L517-F1085 HydrophobicContact CD1-CE1 4.33Å; L517-F1085 HydrophobicContact CD2-CE1 3.42Å; L517-F1085 VanDerWaalsContact CD2-CE1 3.42Å; L517-F1085 HydrophobicContact CD2-CZ 3.71Å; L517-F1085 HydrophobicContact CG-CE1 4.32Å; I1068-F1085 HydrophobicContact CG2-CB 3.8Å; R1069-F1085 PolarHBondContact O-N 2.96Å; L1070-F1085 HydrophobicContact CD2-CB 3.41Å; L1070-F1085 VanDerWaalsContact CD2-CB 3.41Å; L1070-F1085 HydrophobicContact CD2-CD1 4.25Å; L1070-F1085 HydrophobicContact CD2-CD2 4.39Å; L1070-F1085 HydrophobicContact CD2-CG 3.77Å; Y1083-F1085 PolarHBondContact O-N 3.28Å; F1085-Y1087 VanDerWaalsContact C-N 3.32Å; F1085-Y1087 PolarHBondContact O-N 3.23Å; F1085-K1088 PolarHBondContact O-N 3.4Å; F1085-L1089 HydrophobicContact CE1-CB 4.5Å; F1085-L1089 HydrophobicContact CE1-CD2 3.96Å; F1085-L1089 HydrophobicContact CZ-CD2 4.24Å; F1085-L1089 WeakPolarHBondContact O-CB 3.39Å; F1085-L1089 PolarHBondContact O-N 3.19Å; F1085-I1107 HydrophobicContact CE2-CG1 4.49Å; F1085-I1107 HydrophobicContact CE2-CG2 4.05Å; F1085-I1107 HydrophobicContact CZ-CG1 4.21Å; F1085-I1107 HydrophobicContact CZ-CG2 4.05Å; F1085-I1110 HydrophobicContact CD2-CG2 4.03Å; F1085-I1110 HydrophobicContact CE2-CG2 4.44Å; F1085-M1111 HydrophobicContact CD2-SD 4.04Å; F1085-M1111 HydrophobicContact CE2-CG 4.45Å; F1085-M1111 HydrophobicContact CE2-SD 4.27Å; F1085-A1134 HydrophobicContact CD1-CB 4.36Å; F1085-A1134 HydrophobicContact CD2-CB 4.5Å; F1085-A1134 HydrophobicContact CE1-CB 4.12Å; F1085-A1134 HydrophobicContact CE2-CB 4.24Å; F1085-A1134 HydrophobicContact CZ-CB 4.04Å
1086	E	89.2	Confident	87.4	Confident	25 Å²	25	47.1 Å²	47.1	12%	0.117	25%	0.246	C	C	.	.	H	α-helix	trans	-61.9	-41.9	-179.5	-61.7	78.1	-177.5	0	0	110.7	G1071 M1073 S1084 N1090 H1132	G1071-E1086 VanDerWaalsContact N-CD 3.31Å; G1071-E1086 PolarHBondContact N-OE1 2.84Å; G1071-E1086 PolarHBondContact N-OE2 3.3Å; G1071-E1086 VanDerWaalsContact O-OE2 3.05Å; M1073-E1086 HydrophobicContact CG-CB 3.91Å; M1073-E1086 HydrophobicContact SD-CB 4.23Å; S1084-E1086 VanDerWaalsContact C-N 3.35Å; S1084-E1086 PolarHBondContact OG-N 3.41Å; S1084-E1086 PolarHBondContact OG-OE2 2.95Å; S1084-E1086 VanDerWaalsContact OG-OE2 3.05Å; E1086-N1090 WeakPolarHBondContact O-CB 2.96Å; E1086-N1090 PolarHBondContact O-N 3.01Å; E1086-N1090 PolarHBondContact O-ND2 2.96Å; E1086-N1090 VanDerWaalsContact O-ND2 3.14Å; E1086-H1132 IonicContact OE1-CD2 3.37Å; E1086-H1132 IonicContact OE1-CE1 3.37Å; E1086-H1132 IonicContact OE1-NE2 3.68Å; E1086-H1132 PolarHBondContact OE1-NE2 3.43Å; E1086-H1132 VanDerWaalsContact OE1-NE2 3.1Å
1087	Y	90.1	Very high	86.1	Confident	82 Å²	82	56.2 Å²	56.2	32%	0.322	29%	0.288	S	S	.	.	H	α-helix	trans	-64.2	-46.1	174.7	-175.3	-106.4	0	0	0	112.2	M1073 L1081 S1084 F1085 N1090 T1091	M1073-Y1087 HydrophobicContact CE-CD2 3.54Å; M1073-Y1087 HydrophobicContact CE-CE2 4.41Å; M1073-Y1087 HydrophobicContact CE-CG 4.37Å; L1081-Y1087 WeakPolarHBondContact O-CB 3.21Å; L1081-Y1087 WeakPolarHBondContact O-CD1 3.46Å; S1084-Y1087 PolarHBondContact O-N 3.44Å; S1084-Y1087 PolarHBondContact OG-N 3.09Å; S1084-Y1087 VanDerWaalsContact OG-N 3.13Å; F1085-Y1087 VanDerWaalsContact C-N 3.32Å; F1085-Y1087 PolarHBondContact O-N 3.23Å; Y1087-N1090 PolarHBondContact O-N 3.07Å; Y1087-T1091 HydrophobicContact CD1-CG2 4.24Å; Y1087-T1091 HydrophobicContact CD2-CG2 4.29Å; Y1087-T1091 HydrophobicContact CE1-CG2 3.89Å; Y1087-T1091 HydrophobicContact CE2-CG2 3.97Å; Y1087-T1091 HydrophobicContact CG-CG2 4.44Å; Y1087-T1091 WeakPolarHBondContact O-CB 3.43Å; Y1087-T1091 VanDerWaalsContact O-CG2 3.3Å; Y1087-T1091 WeakPolarHBondContact O-CG2 3.41Å; Y1087-T1091 PolarHBondContact O-N 3.15Å; Y1087-T1091 PolarHBondContact O-OG1 3.04Å
1088	K	91.4	Very high	84.7	Confident	56 Å²	56	62.5 Å²	62.5	24%	0.243	31%	0.314	C	S	.	.	H	α-helix	trans	-62.7	-40.5	177.1	-74.9	-176.9	-178.6	-174.5	0	112.8	I1068 N1082 S1084 F1085 T1091 F1092 Y1106 I1110	I1068-K1088 HydrophobicContact CD1-CD 4.02Å; N1082-K1088 WeakPolarHBondContact O-CE 3.4Å; S1084-K1088 WeakPolarHBondContact O-CG 3.24Å; S1084-K1088 PolarHBondContact O-N 2.97Å; F1085-K1088 PolarHBondContact O-N 3.4Å; K1088-T1091 WeakPolarHBondContact CA-OG1 3.4Å; K1088-T1091 PolarHBondContact O-OG1 3.14Å; K1088-F1092 VanDerWaalsContact O-CB 3.31Å; K1088-F1092 WeakPolarHBondContact O-CB 3.43Å; K1088-F1092 PolarHBondContact O-N 2.93Å; K1088-F1092 VanDerWaalsContact O-N 3.08Å; K1088-Y1106 PolarHBondContact O-OH 3.13Å; K1088-I1110 HydrophobicContact CB-CD1 4.17Å
1089	L	89.6	Confident	83.3	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-66.1	-46.8	176.5	-178.8	61.2	0	0	0	110.7	P513 V516 L517 F1085 T1091 F1092 L1093 I1107	P513-L1089 HydrophobicContact CB-CD2 4.35Å; V516-L1089 HydrophobicContact CG1-CD1 4.28Å; L517-L1089 HydrophobicContact CD1-CD2 4.4Å; L517-L1089 HydrophobicContact CD2-CD2 4.33Å; L517-L1089 HydrophobicContact CG-CD2 4.06Å; F1085-L1089 HydrophobicContact CE1-CB 4.5Å; F1085-L1089 HydrophobicContact CE1-CD2 3.96Å; F1085-L1089 HydrophobicContact CZ-CD2 4.24Å; F1085-L1089 WeakPolarHBondContact O-CB 3.39Å; F1085-L1089 PolarHBondContact O-N 3.19Å; L1089-T1091 PolarHBondContact O-N 3.06Å; L1089-F1092 PolarHBondContact O-N 3.33Å; L1089-L1093 HydrophobicContact CD1-CD1 4.14Å; L1089-L1093 HydrophobicContact CD1-CG 4.47Å; L1089-L1093 HydrophobicContact CG-CD1 4.04Å; L1089-L1093 WeakPolarHBondContact O-CB 3.48Å; L1089-L1093 WeakPolarHBondContact O-CG 3.38Å; L1089-L1093 PolarHBondContact O-N 2.97Å; L1089-I1107 HydrophobicContact CD1-CD1 4.23Å; L1089-I1107 HydrophobicContact CD1-CG1 4.19Å
1090	N	84.2	Confident	81.6	Confident	25 Å²	25	61.4 Å²	61.4	13%	0.134	30%	0.297	C	S	.	.	H	α-helix	trans	-64.2	-41	179.6	-75.8	-19.9	0	0	0	112.8	P513 L839 M1073 E1086 Y1087 K1094	P513-N1090 WeakPolarHBondContact CB-OD1 3.4Å; P513-N1090 WeakPolarHBondContact CG-OD1 3.08Å; L839-N1090 HydrophobicContact CD2-CB 3.86Å; M1073-N1090 PolarHBondContact SD-ND2 2.82Å; M1073-N1090 VanDerWaalsContact SD-ND2 3.37Å; E1086-N1090 WeakPolarHBondContact O-CB 2.96Å; E1086-N1090 PolarHBondContact O-N 3.01Å; E1086-N1090 PolarHBondContact O-ND2 2.96Å; E1086-N1090 VanDerWaalsContact O-ND2 3.14Å; Y1087-N1090 PolarHBondContact O-N 3.07Å; N1090-K1094 WeakPolarHBondContact O-CB 3.28Å; N1090-K1094 WeakPolarHBondContact O-CG 3.46Å; N1090-K1094 PolarHBondContact O-N 3.5Å; N1090-K1094 VanDerWaalsContact O-N 3.09Å
1091	T	85.7	Confident	79.9	Confident	50 Å²	50	65.1 Å²	65.1	31%	0.307	32%	0.317	S	S	.	.	H	α-helix	trans	-67.9	-38.5	177	47.4	0	0	0	0	112.1	Y1087 K1088 L1089 K1094 S1095	Y1087-T1091 HydrophobicContact CD1-CG2 4.24Å; Y1087-T1091 HydrophobicContact CD2-CG2 4.29Å; Y1087-T1091 HydrophobicContact CE1-CG2 3.89Å; Y1087-T1091 HydrophobicContact CE2-CG2 3.97Å; Y1087-T1091 HydrophobicContact CG-CG2 4.44Å; Y1087-T1091 WeakPolarHBondContact O-CB 3.43Å; Y1087-T1091 VanDerWaalsContact O-CG2 3.3Å; Y1087-T1091 WeakPolarHBondContact O-CG2 3.41Å; Y1087-T1091 PolarHBondContact O-N 3.15Å; Y1087-T1091 PolarHBondContact O-OG1 3.04Å; K1088-T1091 WeakPolarHBondContact CA-OG1 3.4Å; K1088-T1091 PolarHBondContact O-OG1 3.14Å; L1089-T1091 PolarHBondContact O-N 3.06Å; T1091-K1094 PolarHBondContact O-N 3.1Å; T1091-S1095 WeakPolarHBondContact O-CB 3.22Å; T1091-S1095 PolarHBondContact O-N 2.95Å; T1091-S1095 PolarHBondContact O-OG 3.42Å
1092	F	86	Confident	79.2	Confident	37 Å²	37	67 Å²	67	16%	0.162	33%	0.327	C	S	.	.	H	α-helix	trans	-63.8	-43.2	173.8	178.2	-97	0	0	0	112.8	K1088 L1089 K1094 S1095 N1096 P1099 I1103 Y1106	K1088-F1092 VanDerWaalsContact O-CB 3.31Å; K1088-F1092 WeakPolarHBondContact O-CB 3.43Å; K1088-F1092 PolarHBondContact O-N 2.93Å; K1088-F1092 VanDerWaalsContact O-N 3.08Å; L1089-F1092 PolarHBondContact O-N 3.33Å; F1092-K1094 VanDerWaalsContact C-N 3.28Å; F1092-K1094 PolarHBondContact O-N 3.15Å; F1092-S1095 PolarHBondContact O-OG 3.14Å; F1092-N1096 WeakPolarHBondContact CD2-ND2 3.2Å; F1092-N1096 VanDerWaalsContact CE2-ND2 3.29Å; F1092-N1096 WeakPolarHBondContact CE2-ND2 3.39Å; F1092-N1096 PolarHBondContact O-N 3.49Å; F1092-N1096 PolarHBondContact O-ND2 2.96Å; F1092-P1099 HydrophobicContact CE1-CB 3.95Å; F1092-P1099 HydrophobicContact CZ-CB 4.41Å; F1092-I1103 HydrophobicContact CE1-CB 4.48Å; F1092-I1103 HydrophobicContact CE1-CG1 4.17Å; F1092-Y1106 HydrophobicContact CB-CD1 4.11Å; F1092-Y1106 HydrophobicContact CB-CE1 3.37Å; F1092-Y1106 HydrophobicContact CB-CE2 4.31Å; F1092-Y1106 VanDerWaalsContact CB-CZ 3.49Å; F1092-Y1106 AromaticContact CD1-CD1 3.69Å; F1092-Y1106 HydrophobicContact CD1-CD1 3.69Å; F1092-Y1106 AromaticContact CD1-CE1 3.86Å; F1092-Y1106 HydrophobicContact CD1-CE1 3.86Å; F1092-Y1106 HydrophobicContact CD1-CG 4.12Å; F1092-Y1106 HydrophobicContact CD2-CD1 4.06Å; F1092-Y1106 AromaticContact CD2-CD2 3.72Å; F1092-Y1106 HydrophobicContact CD2-CD2 3.72Å; F1092-Y1106 AromaticContact CD2-CE1 3.89Å; F1092-Y1106 HydrophobicContact CD2-CE1 3.89Å; F1092-Y1106 AromaticContact CD2-CE2 3.57Å; F1092-Y1106 HydrophobicContact CD2-CE2 3.57Å; F1092-Y1106 AromaticContact CD2-CG 3.96Å; F1092-Y1106 HydrophobicContact CD2-CG 3.96Å; F1092-Y1106 AromaticContact CD2-CZ 3.64Å; F1092-Y1106 HydrophobicContact CE1-CD1 4.07Å; F1092-Y1106 HydrophobicContact CE1-CG 4.09Å; F1092-Y1106 HydrophobicContact CE2-CD1 4.4Å; F1092-Y1106 AromaticContact CE2-CD2 3.76Å; F1092-Y1106 HydrophobicContact CE2-CD2 3.76Å; F1092-Y1106 HydrophobicContact CE2-CE2 4.07Å; F1092-Y1106 AromaticContact CE2-CG 3.93Å; F1092-Y1106 HydrophobicContact CE2-CG 3.93Å; F1092-Y1106 AromaticContact CG-CD1 3.68Å; F1092-Y1106 HydrophobicContact CG-CD1 3.68Å; F1092-Y1106 HydrophobicContact CG-CD2 4.21Å; F1092-Y1106 AromaticContact CG-CE1 3.43Å; F1092-Y1106 HydrophobicContact CG-CE1 3.43Å; F1092-Y1106 VanDerWaalsContact CG-CE1 3.43Å; F1092-Y1106 HydrophobicContact CG-CE2 4.02Å; F1092-Y1106 HydrophobicContact CG-CG 4.05Å; F1092-Y1106 AromaticContact CG-CZ 3.62Å; F1092-Y1106 HydrophobicContact CZ-CD1 4.41Å; F1092-Y1106 HydrophobicContact CZ-CD2 4.27Å; F1092-Y1106 HydrophobicContact CZ-CG 4Å
1093	L	84.1	Confident	79	Confident	27 Å²	27	61.8 Å²	61.8	14%	0.141	30%	0.299	C	S	.	.	H	α-helix	trans	-66.1	-30.6	177.3	-77.5	170.2	0	0	0	112.8	Y511 P513 L1089 P1099 I1103	Y511-L1093 HydrophobicContact CD1-CD2 4.25Å; P513-L1093 HydrophobicContact CB-CD1 4.25Å; P513-L1093 HydrophobicContact CG-CD1 3.66Å; L1089-L1093 HydrophobicContact CD1-CD1 4.14Å; L1089-L1093 HydrophobicContact CD1-CG 4.47Å; L1089-L1093 HydrophobicContact CG-CD1 4.04Å; L1089-L1093 WeakPolarHBondContact O-CB 3.48Å; L1089-L1093 WeakPolarHBondContact O-CG 3.38Å; L1089-L1093 PolarHBondContact O-N 2.97Å; L1093-P1099 HydrophobicContact CD2-CG 4.02Å; L1093-I1103 HydrophobicContact CD2-CD1 3.35Å; L1093-I1103 HydrophobicContact CG-CD1 4.13Å
1094	K	77.2	Confident	78.6	Confident	109 Å²	109	61.3 Å²	61.3	47%	0.474	30%	0.299	S	S	.	.	H	α-helix	trans	-78.1	-38.9	176.3	-82.7	-176.5	145.8	-177.1	0	115	L839 N1090 T1091 F1092 N1096	L839-K1094 HydrophobicContact CD2-CD 3.4Å; L839-K1094 VanDerWaalsContact CD2-CD 3.4Å; L839-K1094 HydrophobicContact CD2-CG 4.12Å; L839-K1094 HydrophobicContact CG-CD 4.03Å; N1090-K1094 WeakPolarHBondContact O-CB 3.28Å; N1090-K1094 WeakPolarHBondContact O-CG 3.46Å; N1090-K1094 PolarHBondContact O-N 3.5Å; N1090-K1094 VanDerWaalsContact O-N 3.09Å; T1091-K1094 PolarHBondContact O-N 3.1Å; F1092-K1094 VanDerWaalsContact C-N 3.28Å; F1092-K1094 PolarHBondContact O-N 3.15Å; K1094-N1096 VanDerWaalsContact C-N 3.3Å
1095	S	78.4	Confident	78.3	Confident	87 Å²	87	65.2 Å²	65.2	61%	0.608	32%	0.32	S	S	*	.	H	α-helix	trans	-75.2	-22.4	-175	47.1	0	0	0	0	112.6	T1091 F1092	T1091-S1095 WeakPolarHBondContact O-CB 3.22Å; T1091-S1095 PolarHBondContact O-N 2.95Å; T1091-S1095 PolarHBondContact O-OG 3.42Å; F1092-S1095 PolarHBondContact O-OG 3.14Å
1096	N	66.1	Low	78	Confident	62 Å²	62	67.8 Å²	67.8	33%	0.332	33%	0.33	S	S	.	.			trans	-108.3	109.5	-179.5	-63.7	-60.3	0	0	0	110.4	F1092 K1094 K1098 P1099	F1092-N1096 WeakPolarHBondContact CD2-ND2 3.2Å; F1092-N1096 VanDerWaalsContact CE2-ND2 3.29Å; F1092-N1096 WeakPolarHBondContact CE2-ND2 3.39Å; F1092-N1096 PolarHBondContact O-N 3.49Å; F1092-N1096 PolarHBondContact O-ND2 2.96Å; K1094-N1096 VanDerWaalsContact C-N 3.3Å; N1096-K1098 PolarHBondContact O-N 3.43Å; N1096-K1098 VanDerWaalsContact O-N 3.1Å; N1096-P1099 HydrophobicContact CB-CG 4.5Å
1097	E	58.9	Low	78.1	Confident	201 Å²	201	66.6 Å²	66.6	94%	0.939	33%	0.325	S	S	*	.	S	Bend	trans	-56.6	-28.6	177.6	-70.5	-175.7	165.5	0	0	113.1
1098	K	58.6	Low	78.1	Confident	155 Å²	155	65.6 Å²	65.6	67%	0.674	33%	0.325	S	S	*	.			trans	-147.3	101.1	171.7	-64.5	-177	-178.2	177.5	0	109.5	N1096 K1100	N1096-K1098 PolarHBondContact O-N 3.43Å; N1096-K1098 VanDerWaalsContact O-N 3.1Å; K1098-K1100 HydrophobicContact CB-CG 4.2Å; K1098-K1100 PolarHBondContact O-N 3.31Å
1099	P	59.3	Low	78.1	Confident	10 Å²	10	67.2 Å²	67.2	7%	0.065	34%	0.336	C	S	.	.			trans	-70.8	82.2	170	8.5	2	0	0	0	108.5	Y511 F1092 L1093 N1096 N1101	Y511-P1099 HydrophobicContact CD1-CG 3.62Å; Y511-P1099 HydrophobicContact CE1-CB 4.09Å; Y511-P1099 HydrophobicContact CE1-CG 3.55Å; Y511-P1099 WeakPolarHBondContact CE1-O 3.48Å; Y511-P1099 HydrophobicContact CG-CG 4.4Å; Y511-P1099 PolarHBondContact OH-O 3.29Å; F1092-P1099 HydrophobicContact CE1-CB 3.95Å; F1092-P1099 HydrophobicContact CZ-CB 4.41Å; L1093-P1099 HydrophobicContact CD2-CG 4.02Å; N1096-P1099 HydrophobicContact CB-CG 4.5Å; P1099-N1101 PolarHBondContact O-N 3.09Å
1100	K	55.1	Low	78.3	Confident	159 Å²	159	68 Å²	68	69%	0.691	34%	0.34	S	S	*	.			trans	-66.6	104.5	176.8	-69.6	-179.8	178.8	178.6	0	107.7	K1098 N1102	K1098-K1100 HydrophobicContact CB-CG 4.2Å; K1098-K1100 PolarHBondContact O-N 3.31Å; K1100-N1102 VanDerWaalsContact C-N 3.28Å; K1100-N1102 PolarHBondContact O-N 3.24Å
1101	N	58.9	Low	78.7	Confident	78 Å²	78	66.8 Å²	66.8	42%	0.417	33%	0.334	S	S	.	.	S	Bend	trans	68.9	-13.8	166	-47.9	-28	0	0	0	119.4	K527 P1099	K527-N1101 WeakPolarHBondContact CD-OD1 3.39Å; K527-N1101 WeakPolarHBondContact CE-ND2 3.28Å; K527-N1101 WeakPolarHBondContact CE-OD1 3.49Å; K527-N1101 WeakPolarHBondContact CG-OD1 3.45Å; K527-N1101 PolarHBondContact NZ-ND2 3.49Å; P1099-N1101 PolarHBondContact O-N 3.09Å
1102	N	76.2	Confident	78.9	Confident	88 Å²	88	67.7 Å²	67.7	47%	0.471	35%	0.346	S	S	.	.			trans	-100.4	17.1	-170.4	-152	-15.4	0	0	0	114.3	K1100 D1105 Y1106	K1100-N1102 VanDerWaalsContact C-N 3.28Å; K1100-N1102 PolarHBondContact O-N 3.24Å; N1102-D1105 WeakPolarHBondContact OD1-CB 3.43Å; N1102-Y1106 WeakPolarHBondContact O-CB 3.37Å; N1102-Y1106 PolarHBondContact O-N 3.14Å
1103	I	85.8	Confident	79.3	Confident	1 Å²	1	71.3 Å²	71.3	1%	0.005	37%	0.368	C	S	.	.	H	α-helix	trans	-80.6	-40.1	-173.5	-164.2	163.7	0	0	0	113.7	Y511 V516 P526 F1092 L1093 D1105 Y1106 I1107	Y511-I1103 HydrophobicContact CD1-CD1 4.36Å; V516-I1103 HydrophobicContact CB-CD1 4.29Å; V516-I1103 HydrophobicContact CG1-CD1 3.58Å; V516-I1103 HydrophobicContact CG1-CG1 3.86Å; V516-I1103 HydrophobicContact CG2-CD1 3.67Å; P526-I1103 HydrophobicContact CG-CG2 3.67Å; F1092-I1103 HydrophobicContact CE1-CB 4.48Å; F1092-I1103 HydrophobicContact CE1-CG1 4.17Å; L1093-I1103 HydrophobicContact CD2-CD1 3.35Å; L1093-I1103 HydrophobicContact CG-CD1 4.13Å; I1103-D1105 VanDerWaalsContact C-N 3.33Å; I1103-Y1106 WeakPolarHBondContact O-CB 3.43Å; I1103-Y1106 PolarHBondContact O-N 3.49Å; I1103-I1107 WeakPolarHBondContact O-CG1 3.47Å; I1103-I1107 PolarHBondContact O-N 2.95Å
1104	I	86.7	Confident	79.8	Confident	35 Å²	35	70.1 Å²	70.1	18%	0.179	36%	0.362	C	S	.	.	H	α-helix	trans	-66.9	-43.4	175.4	-62.1	-58.8	0	0	0	108.9	Y520 P526 Y1106 I1107 N1108	Y520-I1104 HydrophobicContact CD2-CG2 4.46Å; P526-I1104 HydrophobicContact CG-CG1 4.47Å; I1104-Y1106 VanDerWaalsContact C-N 3.35Å; I1104-Y1106 PolarHBondContact O-N 3.44Å; I1104-I1107 PolarHBondContact O-N 3.34Å; I1104-N1108 WeakPolarHBondContact O-CB 3.41Å; I1104-N1108 PolarHBondContact O-N 3.46Å; I1104-N1108 PolarHBondContact O-ND2 3.36Å
1105	D	87.1	Confident	80.7	Confident	82 Å²	82	66 Å²	66	44%	0.439	35%	0.345	S	S	.	.	H	α-helix	trans	-58.3	-42.7	171	-67.7	-19	0	0	0	112.1	N1102 I1103 I1107 N1108 N1109	N1102-D1105 WeakPolarHBondContact OD1-CB 3.43Å; I1103-D1105 VanDerWaalsContact C-N 3.33Å; D1105-I1107 PolarHBondContact O-N 2.94Å; D1105-N1108 PolarHBondContact O-N 2.76Å; D1105-N1109 VanDerWaalsContact O-CB 3.29Å; D1105-N1109 WeakPolarHBondContact O-CB 3.44Å; D1105-N1109 PolarHBondContact O-N 3.37Å; D1105-N1109 PolarHBondContact O-ND2 2.94Å; D1105-N1109 VanDerWaalsContact O-ND2 3.14Å
1106	Y	89.8	Confident	81.6	Confident	53 Å²	53	61.9 Å²	61.9	21%	0.208	32%	0.316	C	S	.	.	H	α-helix	trans	-59.8	-43.7	173.7	177.2	-107.1	0	0	0	112.6	K1088 F1092 N1102 I1103 I1104 N1109 I1110	K1088-Y1106 PolarHBondContact O-OH 3.13Å; F1092-Y1106 HydrophobicContact CB-CD1 4.11Å; F1092-Y1106 HydrophobicContact CB-CE1 3.37Å; F1092-Y1106 HydrophobicContact CB-CE2 4.31Å; F1092-Y1106 VanDerWaalsContact CB-CZ 3.49Å; F1092-Y1106 AromaticContact CD1-CD1 3.69Å; F1092-Y1106 HydrophobicContact CD1-CD1 3.69Å; F1092-Y1106 AromaticContact CD1-CE1 3.86Å; F1092-Y1106 HydrophobicContact CD1-CE1 3.86Å; F1092-Y1106 HydrophobicContact CD1-CG 4.12Å; F1092-Y1106 HydrophobicContact CD2-CD1 4.06Å; F1092-Y1106 AromaticContact CD2-CD2 3.72Å; F1092-Y1106 HydrophobicContact CD2-CD2 3.72Å; F1092-Y1106 AromaticContact CD2-CE1 3.89Å; F1092-Y1106 HydrophobicContact CD2-CE1 3.89Å; F1092-Y1106 AromaticContact CD2-CE2 3.57Å; F1092-Y1106 HydrophobicContact CD2-CE2 3.57Å; F1092-Y1106 AromaticContact CD2-CG 3.96Å; F1092-Y1106 HydrophobicContact CD2-CG 3.96Å; F1092-Y1106 AromaticContact CD2-CZ 3.64Å; F1092-Y1106 HydrophobicContact CE1-CD1 4.07Å; F1092-Y1106 HydrophobicContact CE1-CG 4.09Å; F1092-Y1106 HydrophobicContact CE2-CD1 4.4Å; F1092-Y1106 AromaticContact CE2-CD2 3.76Å; F1092-Y1106 HydrophobicContact CE2-CD2 3.76Å; F1092-Y1106 HydrophobicContact CE2-CE2 4.07Å; F1092-Y1106 AromaticContact CE2-CG 3.93Å; F1092-Y1106 HydrophobicContact CE2-CG 3.93Å; F1092-Y1106 AromaticContact CG-CD1 3.68Å; F1092-Y1106 HydrophobicContact CG-CD1 3.68Å; F1092-Y1106 HydrophobicContact CG-CD2 4.21Å; F1092-Y1106 AromaticContact CG-CE1 3.43Å; F1092-Y1106 HydrophobicContact CG-CE1 3.43Å; F1092-Y1106 VanDerWaalsContact CG-CE1 3.43Å; F1092-Y1106 HydrophobicContact CG-CE2 4.02Å; F1092-Y1106 HydrophobicContact CG-CG 4.05Å; F1092-Y1106 AromaticContact CG-CZ 3.62Å; F1092-Y1106 HydrophobicContact CZ-CD1 4.41Å; F1092-Y1106 HydrophobicContact CZ-CD2 4.27Å; F1092-Y1106 HydrophobicContact CZ-CG 4Å; N1102-Y1106 WeakPolarHBondContact O-CB 3.37Å; N1102-Y1106 PolarHBondContact O-N 3.14Å; I1103-Y1106 WeakPolarHBondContact O-CB 3.43Å; I1103-Y1106 PolarHBondContact O-N 3.49Å; I1104-Y1106 VanDerWaalsContact C-N 3.35Å; I1104-Y1106 PolarHBondContact O-N 3.44Å; Y1106-N1109 PolarHBondContact O-N 3.04Å; Y1106-I1110 HydrophobicContact CD1-CD1 3.7Å; Y1106-I1110 HydrophobicContact CD2-CD1 4.35Å; Y1106-I1110 HydrophobicContact CE1-CD1 3.18Å; Y1106-I1110 HydrophobicContact CE1-CG1 4.31Å; Y1106-I1110 HydrophobicContact CE2-CD1 3.9Å; Y1106-I1110 HydrophobicContact CE2-CG1 4.24Å; Y1106-I1110 HydrophobicContact CG-CD1 4.27Å; Y1106-I1110 WeakPolarHBondContact O-CG1 3.24Å; Y1106-I1110 PolarHBondContact O-N 3.43Å
1107	I	90.9	Very high	83.1	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.1	-45.9	175.6	-68	169.1	0	0	0	110.6	V516 Y520 F1085 L1089 I1103 I1104 D1105 N1109 I1110 M1111	V516-I1107 HydrophobicContact CG1-CD1 3.61Å; Y520-I1107 HydrophobicContact CD1-CG2 4.35Å; Y520-I1107 HydrophobicContact CD2-CB 4.23Å; Y520-I1107 HydrophobicContact CD2-CG2 3.6Å; Y520-I1107 HydrophobicContact CE1-CG2 4.32Å; Y520-I1107 HydrophobicContact CE2-CB 4.42Å; Y520-I1107 HydrophobicContact CE2-CG2 3.55Å; Y520-I1107 HydrophobicContact CG-CG2 4Å; F1085-I1107 HydrophobicContact CE2-CG1 4.49Å; F1085-I1107 HydrophobicContact CE2-CG2 4.05Å; F1085-I1107 HydrophobicContact CZ-CG1 4.21Å; F1085-I1107 HydrophobicContact CZ-CG2 4.05Å; L1089-I1107 HydrophobicContact CD1-CD1 4.23Å; L1089-I1107 HydrophobicContact CD1-CG1 4.19Å; I1103-I1107 WeakPolarHBondContact O-CG1 3.47Å; I1103-I1107 PolarHBondContact O-N 2.95Å; I1104-I1107 PolarHBondContact O-N 3.34Å; D1105-I1107 PolarHBondContact O-N 2.94Å; I1107-N1109 VanDerWaalsContact C-N 3.33Å; I1107-N1109 PolarHBondContact O-N 3.47Å; I1107-I1110 PolarHBondContact O-N 2.87Å; I1107-M1111 HydrophobicContact CG2-CG 4.5Å; I1107-M1111 WeakPolarHBondContact O-CB 3.47Å; I1107-M1111 WeakPolarHBondContact O-CG 3.47Å; I1107-M1111 PolarHBondContact O-N 3.07Å
1108	N	91	Very high	85	Confident	62 Å²	62	49.3 Å²	49.3	33%	0.332	26%	0.256	S	S	.	.	H	α-helix	trans	-58	-45.5	176.1	-77	-31.2	0	0	0	111.1	Y520 I1104 D1105 M1111 A1112	Y520-N1108 WeakPolarHBondContact CE2-OD1 3.32Å; I1104-N1108 WeakPolarHBondContact O-CB 3.41Å; I1104-N1108 PolarHBondContact O-N 3.46Å; I1104-N1108 PolarHBondContact O-ND2 3.36Å; D1105-N1108 PolarHBondContact O-N 2.76Å; N1108-M1111 PolarHBondContact O-N 3.35Å; N1108-A1112 WeakPolarHBondContact O-CB 3.45Å; N1108-A1112 PolarHBondContact O-N 3.48Å
1109	N	91.6	Very high	86.8	Confident	90 Å²	90	42 Å²	42	48%	0.481	22%	0.224	S	C	.	.	H	α-helix	trans	-63.8	-46.9	178.6	-69.1	-23	0	0	0	111.4	D1105 Y1106 I1107 M1111 A1112 D1113	D1105-N1109 VanDerWaalsContact O-CB 3.29Å; D1105-N1109 WeakPolarHBondContact O-CB 3.44Å; D1105-N1109 PolarHBondContact O-N 3.37Å; D1105-N1109 PolarHBondContact O-ND2 2.94Å; D1105-N1109 VanDerWaalsContact O-ND2 3.14Å; Y1106-N1109 PolarHBondContact O-N 3.04Å; I1107-N1109 VanDerWaalsContact C-N 3.33Å; I1107-N1109 PolarHBondContact O-N 3.47Å; N1109-M1111 VanDerWaalsContact C-N 3.29Å; N1109-M1111 PolarHBondContact O-N 2.84Å; N1109-A1112 PolarHBondContact O-N 3.15Å; N1109-D1113 VanDerWaalsContact O-CB 3.29Å; N1109-D1113 WeakPolarHBondContact O-CB 3.27Å; N1109-D1113 PolarHBondContact O-N 2.95Å
1110	I	92.3	Very high	88.5	Confident	16 Å²	16	41.8 Å²	41.8	8%	0.082	22%	0.222	C	C	.	.	H	α-helix	trans	-55.9	-46.5	175.2	-73.6	167.8	0	0	0	111.2	I1068 F1085 K1088 Y1106 I1107 A1114	I1068-I1110 HydrophobicContact CD1-CG2 3.48Å; I1068-I1110 VanDerWaalsContact CD1-CG2 3.48Å; I1068-I1110 HydrophobicContact CG1-CG2 3.92Å; F1085-I1110 HydrophobicContact CD2-CG2 4.03Å; F1085-I1110 HydrophobicContact CE2-CG2 4.44Å; K1088-I1110 HydrophobicContact CB-CD1 4.17Å; Y1106-I1110 HydrophobicContact CD1-CD1 3.7Å; Y1106-I1110 HydrophobicContact CD2-CD1 4.35Å; Y1106-I1110 HydrophobicContact CE1-CD1 3.18Å; Y1106-I1110 HydrophobicContact CE1-CG1 4.31Å; Y1106-I1110 HydrophobicContact CE2-CD1 3.9Å; Y1106-I1110 HydrophobicContact CE2-CG1 4.24Å; Y1106-I1110 HydrophobicContact CG-CD1 4.27Å; Y1106-I1110 WeakPolarHBondContact O-CG1 3.24Å; Y1106-I1110 PolarHBondContact O-N 3.43Å; I1107-I1110 PolarHBondContact O-N 2.87Å; I1110-A1114 PolarHBondContact O-N 3.48Å
1111	M	93.1	Very high	90.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-76.9	-30.4	-176	-66	-55.3	-67.3	0	0	112.7	R1041 I1068 F1085 I1107 N1108 N1109 A1114 V1117 A1134 Q1138	R1041-M1111 PolarHBondContact NH2-O 3.24Å; I1068-M1111 HydrophobicContact CG2-SD 4.19Å; F1085-M1111 HydrophobicContact CD2-SD 4.04Å; F1085-M1111 HydrophobicContact CE2-CG 4.45Å; F1085-M1111 HydrophobicContact CE2-SD 4.27Å; I1107-M1111 HydrophobicContact CG2-CG 4.5Å; I1107-M1111 WeakPolarHBondContact O-CB 3.47Å; I1107-M1111 WeakPolarHBondContact O-CG 3.47Å; I1107-M1111 PolarHBondContact O-N 3.07Å; N1108-M1111 PolarHBondContact O-N 3.35Å; N1109-M1111 VanDerWaalsContact C-N 3.29Å; N1109-M1111 PolarHBondContact O-N 2.84Å; M1111-A1114 PolarHBondContact O-N 3.46Å; M1111-V1117 HydrophobicContact CE-CG1 4.36Å; M1111-V1117 HydrophobicContact CE-CG2 3.98Å; M1111-A1134 HydrophobicContact CE-CB 4.42Å; M1111-A1134 HydrophobicContact SD-CB 4.33Å; M1111-Q1138 HydrophobicContact CE-CG 3.71Å
1112	A	90.5	Very high	91.8	Very high	69 Å²	69	31.2 Å²	31.2	57%	0.57	17%	0.174	S	C	*	.	H	α-helix	trans	-71.5	-39.7	174.6	0	0	0	0	0	111.8	N1108 N1109 A1114	N1108-A1112 WeakPolarHBondContact O-CB 3.45Å; N1108-A1112 PolarHBondContact O-N 3.48Å; N1109-A1112 PolarHBondContact O-N 3.15Å; A1112-A1114 PolarHBondContact O-N 3.16Å
1113	D	92.8	Very high	92.5	Very high	114 Å²	114	27.1 Å²	27.1	61%	0.61	15%	0.152	S	C	*	.	H	α-helix	trans	-67.5	-23.9	175.1	-72.7	-15	0	0	0	112.2	R1066 N1109 V1115	R1066-D1113 WeakPolarHBondContact CB-O 3.23Å; N1109-D1113 VanDerWaalsContact O-CB 3.29Å; N1109-D1113 WeakPolarHBondContact O-CB 3.27Å; N1109-D1113 PolarHBondContact O-N 2.95Å; D1113-V1115 PolarHBondContact O-N 2.92Å
1114	A	95	Very high	92.8	Very high	2 Å²	2	27.1 Å²	27.1	2%	0.017	15%	0.152	C	C	.	.			trans	-75	115.5	179.7	0	0	0	0	0	112.1	I1068 I1110 M1111 A1112 V1117	I1068-A1114 HydrophobicContact CB-CB 4.03Å; I1068-A1114 HydrophobicContact CG1-CB 3.52Å; I1110-A1114 PolarHBondContact O-N 3.48Å; M1111-A1114 PolarHBondContact O-N 3.46Å; A1112-A1114 PolarHBondContact O-N 3.16Å; A1114-V1117 HydrophobicContact CB-CG2 4.02Å
1115	V	96	Very high	92.9	Very high	22 Å²	22	25.5 Å²	25.5	13%	0.133	14%	0.144	C	C	.	.	S	Bend	trans	-85.4	-37	170.4	180	0	0	0	0	110.5	I1036 K1040 I1042 R1066 D1113	I1036-V1115 HydrophobicContact CB-CG1 4.49Å; I1036-V1115 HydrophobicContact CG1-CG1 3.92Å; I1036-V1115 HydrophobicContact CG2-CG1 4.41Å; K1040-V1115 VanDerWaalsContact O-CG1 3.29Å; K1040-V1115 WeakPolarHBondContact O-CG1 3.42Å; I1042-V1115 PolarHBondContact N-O 3.5Å; R1066-V1115 HydrophobicContact CB-CB 4.19Å; R1066-V1115 HydrophobicContact CB-CG2 3.91Å; R1066-V1115 PolarHBondContact O-N 3.03Å; D1113-V1115 PolarHBondContact O-N 2.92Å
1116	V	98	Very high	92.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124.6	177.3	-177.6	0	0	0	0	109.8	I1036 I1042 V1044 L1056 L1059 R1066 V1067 I1068	I1036-V1116 HydrophobicContact CD1-CG2 3.82Å; I1036-V1116 HydrophobicContact CG1-CG2 4.03Å; I1042-V1116 HydrophobicContact CB-CG2 4.42Å; I1042-V1116 HydrophobicContact CD1-CG2 4.16Å; I1042-V1116 WeakPolarHBondContact O-CA 3.49Å; V1044-V1116 HydrophobicContact CG2-CG1 3.8Å; L1056-V1116 HydrophobicContact CD2-CG1 4.04Å; L1059-V1116 HydrophobicContact CD2-CB 4.3Å; L1059-V1116 HydrophobicContact CD2-CG1 4.19Å; L1059-V1116 HydrophobicContact CD2-CG2 3.98Å; R1066-V1116 PolarHBondContact O-N 3.24Å; R1066-V1116 VanDerWaalsContact O-N 3.15Å; V1067-V1116 CarbonylContact C-O 3.52Å; V1067-V1116 VanDerWaalsContact CA-O 3.32Å; V1067-V1116 WeakPolarHBondContact CA-O 3.44Å; V1067-V1116 HydrophobicContact CG2-CB 4.32Å; I1068-V1116 PolarHBondContact N-O 3.15Å
1117	V	98	Very high	91.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.2	171.7	-179	0	0	0	0	108.5	I1042 L1043 V1044 I1068 L1070 M1111 A1114 L1135 F1140	I1042-V1117 PolarHBondContact O-N 3.45Å; L1043-V1117 CarbonylContact C-O 3.45Å; L1043-V1117 WeakPolarHBondContact CA-O 3.21Å; L1043-V1117 HydrophobicContact CD1-CB 4.31Å; L1043-V1117 HydrophobicContact CD1-CG1 4.28Å; V1044-V1117 PolarHBondContact N-O 3.47Å; I1068-V1117 HydrophobicContact CB-CG2 4.49Å; I1068-V1117 CarbonylContact O-C 3.57Å; I1068-V1117 WeakPolarHBondContact O-CA 3.45Å; L1070-V1117 HydrophobicContact CD1-CG1 3.69Å; L1070-V1117 HydrophobicContact CG-CG1 3.86Å; M1111-V1117 HydrophobicContact CE-CG1 4.36Å; M1111-V1117 HydrophobicContact CE-CG2 3.98Å; A1114-V1117 HydrophobicContact CB-CG2 4.02Å; V1117-L1135 HydrophobicContact CG1-CD2 4.08Å; V1117-F1140 HydrophobicContact CB-CE1 3.74Å; V1117-F1140 HydrophobicContact CB-CZ 3.85Å; V1117-F1140 HydrophobicContact CG1-CZ 4.34Å; V1117-F1140 HydrophobicContact CG2-CE1 3.68Å; V1117-F1140 HydrophobicContact CG2-CZ 3.93Å
1118	G	97.8	Very high	89.9	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.4	-179.1	0	0	0	0	0	113.3	V1044 I1068 R1069 L1070	V1044-G1118 VanDerWaalsContact O-CA 3.26Å; V1044-G1118 WeakPolarHBondContact O-CA 3.35Å; I1068-G1118 PolarHBondContact O-N 3.26Å; R1069-G1118 WeakPolarHBondContact CA-O 3.39Å; R1069-G1118 WeakPolarHBondContact CD-O 3.5Å; L1070-G1118 PolarHBondContact N-O 3.01Å
1119	C	96.7	Very high	88.6	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	169.6	176.8	71.5	0	0	0	0	111.9	V1044 T1045 V1052 L1070	V1044-C1119 PolarHBondContact O-N 3.45Å; T1045-C1119 WeakPolarHBondContact CA-O 3.28Å; V1052-C1119 WeakPolarHBondContact CG2-O 3.3Å; L1070-C1119 HydrophobicContact CB-CB 3.94Å
1120	T	95	Very high	87.5	Confident	6 Å²	6	18.9 Å²	18.9	4%	0.037	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	155	170.5	61.4	0	0	0	0	110.2	A1046 L1122 S1123 A1124	A1046-T1120 WeakPolarHBondContact O-CA 3.33Å; T1120-L1122 PolarHBondContact O-N 2.64Å; T1120-S1123 WeakPolarHBondContact O-CA 3.35Å; T1120-S1123 VanDerWaalsContact O-CB 3.28Å; T1120-S1123 WeakPolarHBondContact O-CB 3.42Å; T1120-S1123 PolarHBondContact O-N 3.49Å; T1120-S1123 PolarHBondContact OG1-N 2.97Å; T1120-S1123 PolarHBondContact OG1-OG 3.34Å; T1120-A1124 PolarHBondContact O-N 2.79Å
1121	A	94.6	Very high	87.1	Confident	1 Å²	1	18.4 Å²	18.4	1%	0.008	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-59.8	-36.7	179.3	0	0	0	0	0	112.5	A1046 S1123 A1124 S1125 L1151 T1155 P1159	A1046-A1121 PolarHBondContact O-N 3.29Å; A1121-S1123 VanDerWaalsContact C-N 3.26Å; A1121-S1123 PolarHBondContact O-N 2.88Å; A1121-A1124 PolarHBondContact O-N 2.79Å; A1121-S1125 PolarHBondContact O-N 3.06Å; A1121-S1125 PolarHBondContact O-OG 3.26Å; A1121-L1151 HydrophobicContact CB-CD1 3.68Å; A1121-L1151 HydrophobicContact CB-CD2 3.92Å; A1121-L1151 HydrophobicContact CB-CG 4.49Å; A1121-T1155 HydrophobicContact CB-CG2 4Å; A1121-P1159 HydrophobicContact CB-CG 3.93Å
1122	L	90	Very high	86.8	Confident	15 Å²	15	19 Å²	19	8%	0.079	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-63.3	-30.9	172.7	-71.6	172.1	0	0	0	112.6	T944 T1120 A1124 S1125 T1155	T944-L1122 HydrophobicContact CG2-CD2 3.93Å; T1120-L1122 PolarHBondContact O-N 2.64Å; L1122-A1124 PolarHBondContact O-N 2.89Å; L1122-S1125 WeakPolarHBondContact O-CB 3.37Å; L1122-S1125 PolarHBondContact O-N 3.13Å; L1122-T1155 HydrophobicContact CD2-CG2 3.63Å; L1122-T1155 HydrophobicContact CG-CG2 3.91Å
1123	S	90.4	Very high	86.5	Confident	2 Å²	2	16.3 Å²	16.3	1%	0.014	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-67.6	-24.6	176.8	-56.8	0	0	0	0	113.9	L141 T1120 A1121 H1132	L141-S1123 WeakPolarHBondContact CD2-OG 3.46Å; T1120-S1123 WeakPolarHBondContact O-CA 3.35Å; T1120-S1123 VanDerWaalsContact O-CB 3.28Å; T1120-S1123 WeakPolarHBondContact O-CB 3.42Å; T1120-S1123 PolarHBondContact O-N 3.49Å; T1120-S1123 PolarHBondContact OG1-N 2.97Å; T1120-S1123 PolarHBondContact OG1-OG 3.34Å; A1121-S1123 VanDerWaalsContact C-N 3.26Å; A1121-S1123 PolarHBondContact O-N 2.88Å; S1123-H1132 WeakPolarHBondContact O-CB 3.21Å; S1123-H1132 PolarHBondContact O-N 2.96Å
1124	A	92.2	Very high	86.3	Confident	1 Å²	1	10.9 Å²	10.9	1%	0.008	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-91.5	0.2	173.6	0	0	0	0	0	113	T1120 A1121 L1122 L1135 G1158 P1159	T1120-A1124 PolarHBondContact O-N 2.79Å; A1121-A1124 PolarHBondContact O-N 2.79Å; L1122-A1124 PolarHBondContact O-N 2.89Å; A1124-L1135 HydrophobicContact CB-CD1 4.14Å; A1124-G1158 CarbonylContact O-C 3.59Å; A1124-G1158 WeakPolarHBondContact O-CA 3.25Å; A1124-P1159 HydrophobicContact CB-CB 4.39Å; A1124-P1159 HydrophobicContact CB-CG 3.98Å
1125	S	88.5	Confident	86	Confident	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.061	C	C	.	.			trans	-90.6	158.8	-175.3	-65.5	0	0	0	0	113.5	N951 A1121 L1122 L1130 R1131	N951-S1125 WeakPolarHBondContact ND2-CB 3.37Å; N951-S1125 PolarHBondContact ND2-OG 3.39Å; N951-S1125 VanDerWaalsContact ND2-OG 3.11Å; A1121-S1125 PolarHBondContact O-N 3.06Å; A1121-S1125 PolarHBondContact O-OG 3.26Å; L1122-S1125 WeakPolarHBondContact O-CB 3.37Å; L1122-S1125 PolarHBondContact O-N 3.13Å; S1125-L1130 CarbonylContact O-C 3.59Å; S1125-R1131 VanDerWaalsContact O-CA 3.23Å; S1125-R1131 WeakPolarHBondContact O-CA 3.37Å; S1125-R1131 PolarHBondContact O-N 3.37Å
1126	G	72.5	Confident	85.4	Confident	1 Å²	1	10.3 Å²	10.3	1%	0.01	6%	0.058	C	C	.	.	S	Bend	trans	96	13	173.8	0	0	0	0	0	115.8	S950 N951 L1130	S950-G1126 PolarHBondContact OG-O 2.93Å; N951-G1126 PolarHBondContact OD1-N 3.35Å; G1126-L1130 VanDerWaalsContact O-CB 3.28Å; G1126-L1130 WeakPolarHBondContact O-CB 3.05Å; G1126-L1130 PolarHBondContact O-N 3.3Å
1127	G	68.8	Low	84.8	Confident	7 Å²	7	15.3 Å²	15.3	7%	0.072	8%	0.078	C	C	.	.	H	α-helix	trans	69.1	-167.3	178	0	0	0	0	0	113.6	D1129 L1130 R1131	G1127-D1129 PolarHBondContact O-N 3.44Å; G1127-L1130 PolarHBondContact O-N 3Å; G1127-R1131 VanDerWaalsContact O-CB 3.3Å; G1127-R1131 WeakPolarHBondContact O-CB 3.5Å; G1127-R1131 WeakPolarHBondContact O-CD 3.46Å; G1127-R1131 WeakPolarHBondContact O-CG 3.47Å; G1127-R1131 PolarHBondContact O-N 3.08Å
1128	N	63.7	Low	84.4	Confident	57 Å²	57	16 Å²	16	31%	0.305	8%	0.081	S	C	.	.	H	α-helix	trans	-61.1	-28.5	-172.8	-69.5	0.7	0	0	0	113.9	R1131	N1128-R1131 VanDerWaalsContact OD1-CZ 3.22Å; N1128-R1131 PolarHBondContact OD1-NH2 3.48Å
1129	D	62.8	Low	84	Confident	68 Å²	68	19.8 Å²	19.8	36%	0.364	10%	0.097	S	C	.	.	H	α-helix	trans	-92.3	-24.9	-172.7	-59.7	-34.1	0	0	0	113	G454 G455 G1127	G454-D1129 WeakPolarHBondContact CA-OD2 3.47Å; G455-D1129 PolarHBondContact N-OD2 2.93Å; G1127-D1129 PolarHBondContact O-N 3.44Å
1130	L	69.9	Low	83.9	Confident	16 Å²	16	19.8 Å²	19.8	8%	0.084	10%	0.097	C	C	.	.	H	α-helix	trans	-117.5	-13.7	-175	-55.8	171.8	0	0	0	115	L140 V451 L947 S1125 G1126 G1127	L140-L1130 HydrophobicContact CD2-CB 3.57Å; L140-L1130 HydrophobicContact CD2-CD2 3.42Å; L140-L1130 VanDerWaalsContact CD2-CD2 3.42Å; L140-L1130 HydrophobicContact CD2-CG 4.09Å; L140-L1130 VanDerWaalsContact CD2-O 3.23Å; L140-L1130 WeakPolarHBondContact CD2-O 3.14Å; V451-L1130 HydrophobicContact CB-CD1 4.03Å; V451-L1130 HydrophobicContact CG1-CD1 4.35Å; V451-L1130 HydrophobicContact CG1-CD2 4.3Å; V451-L1130 HydrophobicContact CG2-CD1 4.16Å; L947-L1130 HydrophobicContact CD2-CB 3.85Å; L947-L1130 HydrophobicContact CD2-CD1 4.08Å; S1125-L1130 CarbonylContact O-C 3.59Å; G1126-L1130 VanDerWaalsContact O-CB 3.28Å; G1126-L1130 WeakPolarHBondContact O-CB 3.05Å; G1126-L1130 PolarHBondContact O-N 3.3Å; G1127-L1130 PolarHBondContact O-N 3Å
1131	R	83.4	Confident	83.9	Confident	6 Å²	6	20.4 Å²	20.4	2%	0.023	10%	0.1	C	C	.	.	S	Bend	trans	-67.2	167	172.3	72.1	-169	170	-171.6	-3.8	111.2	S1125 G1127 N1128 S1133 L1135 T1136	S1125-R1131 VanDerWaalsContact O-CA 3.23Å; S1125-R1131 WeakPolarHBondContact O-CA 3.37Å; S1125-R1131 PolarHBondContact O-N 3.37Å; G1127-R1131 VanDerWaalsContact O-CB 3.3Å; G1127-R1131 WeakPolarHBondContact O-CB 3.5Å; G1127-R1131 WeakPolarHBondContact O-CD 3.46Å; G1127-R1131 WeakPolarHBondContact O-CG 3.47Å; G1127-R1131 PolarHBondContact O-N 3.08Å; N1128-R1131 VanDerWaalsContact OD1-CZ 3.22Å; N1128-R1131 PolarHBondContact OD1-NH2 3.48Å; R1131-S1133 PolarHBondContact O-N 3.14Å; R1131-S1133 VanDerWaalsContact O-N 3.13Å; R1131-L1135 HydrophobicContact CG-CB 4.3Å; R1131-L1135 PolarHBondContact NE-O 3.35Å; R1131-T1136 PolarHBondContact NH2-O 2.81Å
1132	H	86.1	Confident	83.9	Confident	11 Å²	11	20.4 Å²	20.4	5%	0.051	10%	0.1	C	C	.	.			trans	-51.5	123.2	172.7	-172.9	-75.5	0	0	0	110.6	L141 E1086 S1123 A1134 L1135	L141-H1132 HydrophobicContact CD2-CB 4.33Å; E1086-H1132 IonicContact OE1-CD2 3.37Å; E1086-H1132 IonicContact OE1-CE1 3.37Å; E1086-H1132 IonicContact OE1-NE2 3.68Å; E1086-H1132 PolarHBondContact OE1-NE2 3.43Å; E1086-H1132 VanDerWaalsContact OE1-NE2 3.1Å; S1123-H1132 WeakPolarHBondContact O-CB 3.21Å; S1123-H1132 PolarHBondContact O-N 2.96Å; H1132-A1134 VanDerWaalsContact ND1-CB 3.33Å; H1132-A1134 WeakPolarHBondContact ND1-CB 3.42Å; H1132-A1134 PolarHBondContact ND1-N 3.43Å; H1132-A1134 VanDerWaalsContact ND1-N 3.16Å; H1132-A1134 PolarHBondContact O-N 3.13Å; H1132-L1135 HydrophobicContact CB-CD1 4.27Å; H1132-L1135 HydrophobicContact CB-CG 4.43Å; H1132-L1135 WeakPolarHBondContact O-CB 3.48Å; H1132-L1135 PolarHBondContact O-N 2.86Å
1133	S	84.2	Confident	84.3	Confident	13 Å²	13	19.7 Å²	19.7	9%	0.091	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-54.7	-33	-170.6	-56.5	0	0	0	0	113.9	L517 Y520 R1131 L1135 T1136	L517-S1133 WeakPolarHBondContact O-CB 3.44Å; Y520-S1133 WeakPolarHBondContact CD1-O 3.42Å; Y520-S1133 VanDerWaalsContact CE1-O 3.22Å; Y520-S1133 WeakPolarHBondContact CE1-O 3.2Å; R1131-S1133 PolarHBondContact O-N 3.14Å; R1131-S1133 VanDerWaalsContact O-N 3.13Å; S1133-L1135 PolarHBondContact O-N 3.1Å; S1133-T1136 WeakPolarHBondContact O-CB 3.3Å; S1133-T1136 PolarHBondContact O-N 3.34Å; S1133-T1136 VanDerWaalsContact O-N 3.1Å; S1133-T1136 PolarHBondContact O-OG1 3.09Å
1134	A	88	Confident	84.7	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-60.6	-24.3	174.9	0	0	0	0	0	113.9	L1070 F1085 M1111 H1132 Q1138	L1070-A1134 HydrophobicContact CD1-CB 4.45Å; L1070-A1134 HydrophobicContact CD2-CB 4.09Å; F1085-A1134 HydrophobicContact CD1-CB 4.36Å; F1085-A1134 HydrophobicContact CD2-CB 4.5Å; F1085-A1134 HydrophobicContact CE1-CB 4.12Å; F1085-A1134 HydrophobicContact CE2-CB 4.24Å; F1085-A1134 HydrophobicContact CZ-CB 4.04Å; M1111-A1134 HydrophobicContact CE-CB 4.42Å; M1111-A1134 HydrophobicContact SD-CB 4.33Å; H1132-A1134 VanDerWaalsContact ND1-CB 3.33Å; H1132-A1134 WeakPolarHBondContact ND1-CB 3.42Å; H1132-A1134 PolarHBondContact ND1-N 3.43Å; H1132-A1134 VanDerWaalsContact ND1-N 3.16Å; H1132-A1134 PolarHBondContact O-N 3.13Å; A1134-Q1138 WeakPolarHBondContact O-CG 3.3Å
1135	L	89.9	Confident	85	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-84.8	-7.7	178.1	-63	176.2	0	0	0	113.3	L1043 L1070 V1117 A1124 R1131 H1132 S1133 Y1137 Q1138 F1140	L1043-L1135 HydrophobicContact CD1-CD2 4.48Å; L1070-L1135 HydrophobicContact CD1-CD1 4.05Å; L1070-L1135 HydrophobicContact CD1-CD2 3.56Å; L1070-L1135 HydrophobicContact CD1-CG 3.57Å; V1117-L1135 HydrophobicContact CG1-CD2 4.08Å; A1124-L1135 HydrophobicContact CB-CD1 4.14Å; R1131-L1135 HydrophobicContact CG-CB 4.3Å; R1131-L1135 PolarHBondContact NE-O 3.35Å; H1132-L1135 HydrophobicContact CB-CD1 4.27Å; H1132-L1135 HydrophobicContact CB-CG 4.43Å; H1132-L1135 WeakPolarHBondContact O-CB 3.48Å; H1132-L1135 PolarHBondContact O-N 2.86Å; S1133-L1135 PolarHBondContact O-N 3.1Å; L1135-Y1137 VanDerWaalsContact C-N 3.29Å; L1135-Y1137 PolarHBondContact O-N 2.85Å; L1135-Q1138 HydrophobicContact CD2-CB 4.45Å; L1135-Q1138 PolarHBondContact O-N 3.39Å; L1135-F1140 HydrophobicContact CD2-CE2 3.99Å; L1135-F1140 HydrophobicContact CD2-CZ 3.92Å
1136	T	83.7	Confident	85.4	Confident	12 Å²	12	19.9 Å²	19.9	7%	0.074	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-40.6	-171.9	-62.5	0	0	0	0	113.5	A521 R1131 S1133	A521-T1136 HydrophobicContact CB-CG2 4.36Å; R1131-T1136 PolarHBondContact NH2-O 2.81Å; S1133-T1136 WeakPolarHBondContact O-CB 3.3Å; S1133-T1136 PolarHBondContact O-N 3.34Å; S1133-T1136 VanDerWaalsContact O-N 3.1Å; S1133-T1136 PolarHBondContact O-OG1 3.09Å
1137	Y	84.6	Confident	86.4	Confident	106 Å²	106	21.7 Å²	21.7	42%	0.416	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	13.6	177.8	-51.8	-54.4	0	0	0	113.8	Y520 A521 G523 L1135	Y520-Y1137 AromaticContact CE1-CD2 3.99Å; Y520-Y1137 HydrophobicContact CE1-CD2 3.99Å; Y520-Y1137 HydrophobicContact CE1-CE2 4.43Å; Y520-Y1137 AromaticContact CE2-CD2 3.93Å; Y520-Y1137 HydrophobicContact CE2-CD2 3.93Å; Y520-Y1137 HydrophobicContact CE2-CE2 4.34Å; Y520-Y1137 AromaticContact CZ-CD2 3.63Å; Y520-Y1137 WeakPolarHBondContact O-CE2 3.33Å; Y520-Y1137 PolarHBondContact O-OH 2.79Å; A521-Y1137 PolarHBondContact O-OH 3.37Å; A521-Y1137 VanDerWaalsContact O-OH 3.11Å; G523-Y1137 PolarHBondContact N-OH 3.43Å; L1135-Y1137 VanDerWaalsContact C-N 3.29Å; L1135-Y1137 PolarHBondContact O-N 2.85Å
1138	Q	88.9	Confident	87.7	Confident	13 Å²	13	21.4 Å²	21.4	6%	0.061	10%	0.103	C	C	.	.			trans	-99.1	134	-174.6	-57.3	-59.9	-35.7	0	0	110.8	Y520 R1041 M1111 A1134 L1135 F1140	Y520-Q1138 PolarHBondContact OH-NE2 3.03Å; R1041-Q1138 VanDerWaalsContact NH1-OE1 3.13Å; M1111-Q1138 HydrophobicContact CE-CG 3.71Å; A1134-Q1138 WeakPolarHBondContact O-CG 3.3Å; L1135-Q1138 HydrophobicContact CD2-CB 4.45Å; L1135-Q1138 PolarHBondContact O-N 3.39Å; Q1138-F1140 HydrophobicContact CB-CE2 3.92Å; Q1138-F1140 HydrophobicContact CB-CZ 3.97Å
1139	K	91.1	Very high	89.2	Confident	80 Å²	80	18.9 Å²	18.9	35%	0.348	9%	0.089	S	C	.	.			trans	-129.8	138.8	178.4	-67.4	-61.8	-167.4	164.9	0	109.4	R1041 L1161 C1162 L1163 A1164	R1041-K1139 PolarHBondContact NH1-O 3.5Å; K1139-L1161 PolarHBondContact NZ-O 3.46Å; K1139-C1162 WeakPolarHBondContact CA-O 3.28Å; K1139-L1163 WeakPolarHBondContact CD-O 3.46Å; K1139-L1163 PolarHBondContact NZ-O 2.69Å; K1139-A1164 HydrophobicContact CB-CB 4.02Å
1140	F	94.4	Very high	90.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.077	C	C	.	.	B	Isolated β-bridge	trans	-122.4	140.2	-172.3	-58.3	-86.9	0	0	0	110.8	R1041 I1042 L1043 V1117 L1135 Q1138 C1162 L1163 A1164	R1041-F1140 HydrophobicContact CB-CD1 4.39Å; I1042-F1140 VanDerWaalsContact C-CD1 3.45Å; L1043-F1140 HydrophobicContact CB-CB 4.07Å; L1043-F1140 HydrophobicContact CB-CD1 3.74Å; L1043-F1140 HydrophobicContact CB-CD2 3.66Å; L1043-F1140 HydrophobicContact CB-CE1 4.03Å; L1043-F1140 HydrophobicContact CB-CE2 3.97Å; L1043-F1140 HydrophobicContact CB-CG 3.54Å; L1043-F1140 HydrophobicContact CB-CZ 4.13Å; L1043-F1140 HydrophobicContact CD1-CE2 4.12Å; L1043-F1140 HydrophobicContact CD1-CZ 4.05Å; L1043-F1140 HydrophobicContact CD2-CD2 4.09Å; L1043-F1140 HydrophobicContact CD2-CE2 4.13Å; L1043-F1140 HydrophobicContact CG-CD2 4.34Å; L1043-F1140 HydrophobicContact CG-CE2 4.29Å; V1117-F1140 HydrophobicContact CB-CE1 3.74Å; V1117-F1140 HydrophobicContact CB-CZ 3.85Å; V1117-F1140 HydrophobicContact CG1-CZ 4.34Å; V1117-F1140 HydrophobicContact CG2-CE1 3.68Å; V1117-F1140 HydrophobicContact CG2-CZ 3.93Å; L1135-F1140 HydrophobicContact CD2-CE2 3.99Å; L1135-F1140 HydrophobicContact CD2-CZ 3.92Å; Q1138-F1140 HydrophobicContact CB-CE2 3.92Å; Q1138-F1140 HydrophobicContact CB-CZ 3.97Å; F1140-C1162 HydrophobicContact CD2-CB 3.86Å; F1140-C1162 WeakPolarHBondContact CD2-O 3.46Å; F1140-C1162 HydrophobicContact CE2-CB 4.17Å; F1140-C1162 PolarHBondContact N-O 3.19Å; F1140-L1163 WeakPolarHBondContact O-CA 3.39Å; F1140-A1164 PolarHBondContact O-N 2.98Å
1141	D	94.2	Very high	91.9	Very high	19 Å²	19	16.2 Å²	16.2	10%	0.102	7%	0.074	C	C	.	.	S	Bend	trans	-74.6	-33.2	174.9	-54.4	-60.9	0	0	0	110.7	K1040 R1041 C1176 R1177	K1040-D1141 WeakPolarHBondContact CA-OD2 3.08Å; K1040-D1141 HydrophobicContact CB-CB 4.25Å; K1040-D1141 HydrophobicContact CD-CB 3.95Å; R1041-D1141 PolarHBondContact N-OD2 3.11Å; R1041-D1141 PolarHBondContact O-N 3.23Å; D1141-C1176 WeakPolarHBondContact O-CA 3.39Å; D1141-R1177 PolarHBondContact O-N 3.29Å
1142	V	95.7	Very high	92.4	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.006	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	130.5	179.9	-175.3	0	0	0	0	111	L1035 K1040 R1041 I1042 L1043 R1177 V1179	L1035-V1142 HydrophobicContact CD1-CB 4.27Å; L1035-V1142 HydrophobicContact CD1-CG1 3.9Å; L1035-V1142 HydrophobicContact CD1-CG2 4.26Å; L1035-V1142 HydrophobicContact CD2-CG2 4.14Å; K1040-V1142 HydrophobicContact CB-CG2 4.43Å; R1041-V1142 PolarHBondContact O-N 2.89Å; R1041-V1142 VanDerWaalsContact O-N 3.15Å; I1042-V1142 CarbonylContact C-O 3.47Å; I1042-V1142 VanDerWaalsContact CA-O 3.32Å; I1042-V1142 WeakPolarHBondContact CA-O 3.1Å; I1042-V1142 HydrophobicContact CG1-CB 4.41Å; I1042-V1142 HydrophobicContact CG2-CB 4.45Å; L1043-V1142 PolarHBondContact N-O 3.43Å; V1142-R1177 CarbonylContact C-O 3.54Å; V1142-R1177 VanDerWaalsContact CA-O 3.26Å; V1142-R1177 WeakPolarHBondContact CA-O 2.99Å; V1142-V1179 HydrophobicContact CG1-CG2 4.04Å
1143	V	97.7	Very high	92.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	116.1	168.8	174.6	0	0	0	0	109	L1043 I1145 P1159 L1160 L1163 R1177 F1178 V1179	L1043-V1143 HydrophobicContact CB-CG2 4.19Å; L1043-V1143 HydrophobicContact CD2-CG2 4.26Å; L1043-V1143 CarbonylContact O-C 3.57Å; L1043-V1143 WeakPolarHBondContact O-CA 3.3Å; V1143-I1145 HydrophobicContact CG1-CD1 4.3Å; V1143-I1145 HydrophobicContact CG1-CG1 3.96Å; V1143-P1159 HydrophobicContact CG1-CB 3.67Å; V1143-P1159 WeakPolarHBondContact CG2-O 3.21Å; V1143-L1160 HydrophobicContact CB-CD2 4.47Å; V1143-L1160 HydrophobicContact CG1-CD2 4.24Å; V1143-L1163 HydrophobicContact CB-CD2 4.1Å; V1143-L1163 HydrophobicContact CB-CG 4.48Å; V1143-L1163 HydrophobicContact CG2-CD2 3.52Å; V1143-L1163 HydrophobicContact CG2-CG 3.74Å; V1143-R1177 PolarHBondContact N-O 2.98Å; V1143-F1178 HydrophobicContact CB-CB 4.24Å; V1143-F1178 CarbonylContact O-C 3.54Å; V1143-F1178 WeakPolarHBondContact O-CA 3.22Å; V1143-V1179 PolarHBondContact O-N 2.63Å
1144	L	98.2	Very high	93.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	126	176	-174.6	157.8	0	0	0	109	L1028 L1031 L1032 L1043 V1044 T1045 L1055 D1146 V1179	L1028-L1144 HydrophobicContact CD1-CD2 4.2Å; L1028-L1144 HydrophobicContact CD2-CD1 4Å; L1028-L1144 HydrophobicContact CD2-CD2 4.49Å; L1028-L1144 HydrophobicContact CD2-CG 4.48Å; L1031-L1144 HydrophobicContact CD2-CD1 4.18Å; L1032-L1144 HydrophobicContact CD2-CD1 4.09Å; L1032-L1144 HydrophobicContact CG-CD1 4.25Å; L1043-L1144 PolarHBondContact O-N 3.11Å; V1044-L1144 CarbonylContact C-O 3.51Å; V1044-L1144 WeakPolarHBondContact CA-O 3.35Å; V1044-L1144 HydrophobicContact CG1-CD2 4.37Å; V1044-L1144 HydrophobicContact CG2-CB 4.47Å; T1045-L1144 PolarHBondContact N-O 3.37Å; L1055-L1144 HydrophobicContact CD2-CD2 4.05Å; L1144-D1146 HydrophobicContact CD2-CB 4.37Å; L1144-V1179 HydrophobicContact CG-CB 4.45Å
1145	I	98.2	Very high	93.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	106.1	177.8	-47.5	-169.4	0	0	0	108.6	T1045 V1143 A1148 L1151 P1159 L1160 V1179 L1180 V1181	T1045-I1145 CarbonylContact O-C 3.18Å; T1045-I1145 WeakPolarHBondContact O-CA 3.16Å; V1143-I1145 HydrophobicContact CG1-CD1 4.3Å; V1143-I1145 HydrophobicContact CG1-CG1 3.96Å; I1145-A1148 HydrophobicContact CB-CB 4.21Å; I1145-A1148 HydrophobicContact CG2-CB 3.86Å; I1145-L1151 HydrophobicContact CG2-CD1 3.45Å; I1145-L1151 VanDerWaalsContact CG2-CD1 3.45Å; I1145-P1159 HydrophobicContact CD1-CB 4.06Å; I1145-P1159 HydrophobicContact CD1-CG 4.33Å; I1145-L1160 HydrophobicContact CD1-CD2 4.41Å; I1145-V1179 PolarHBondContact N-O 3.17Å; I1145-L1180 HydrophobicContact CB-CD2 3.83Å; I1145-L1180 HydrophobicContact CD1-CD2 3.7Å; I1145-L1180 HydrophobicContact CG1-CD2 3.87Å; I1145-V1181 PolarHBondContact O-N 3.17Å
1146	D	96.8	Very high	94.2	Very high	8 Å²	8	16.4 Å²	16.4	4%	0.043	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	150.1	172.8	-167.4	20.9	0	0	0	110.9	L1028 T1045 A1046 L1144 A1148	L1028-D1146 HydrophobicContact CD1-CB 4.11Å; T1045-D1146 PolarHBondContact O-N 3.35Å; A1046-D1146 WeakPolarHBondContact CA-O 3.45Å; A1046-D1146 HydrophobicContact CB-CB 4.2Å; L1144-D1146 HydrophobicContact CD2-CB 4.37Å; D1146-A1148 PolarHBondContact O-N 2.77Å
1147	E	94.3	Very high	94.7	Very high	39 Å²	39	15.9 Å²	15.9	18%	0.182	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	49	38.2	-172.3	-61.3	-64.2	161.8	0	0	112.6	K1024 S1149 Q1150 V1181	K1024-E1147 WeakPolarHBondContact CE-OE1 3.45Å; K1024-E1147 IonicContact NZ-OE1 3.61Å; E1147-S1149 PolarHBondContact O-N 3.43Å; E1147-S1149 VanDerWaalsContact O-N 3.17Å; E1147-Q1150 WeakPolarHBondContact O-CB 3.45Å; E1147-Q1150 PolarHBondContact O-N 3.11Å; E1147-Q1150 PolarHBondContact OE2-NE2 3.36Å; E1147-V1181 CarbonylContact C-O 3.58Å; E1147-V1181 WeakPolarHBondContact CA-O 3.41Å; E1147-V1181 PolarHBondContact N-O 2.98Å
1148	A	96.6	Very high	95.2	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.008	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	-60.8	-26.1	-176	0	0	0	0	0	113.3	I1145 D1146 Q1150 L1151 L1180 V1181 S1204	I1145-A1148 HydrophobicContact CB-CB 4.21Å; I1145-A1148 HydrophobicContact CG2-CB 3.86Å; D1146-A1148 PolarHBondContact O-N 2.77Å; A1148-Q1150 PolarHBondContact O-N 2.89Å; A1148-L1151 PolarHBondContact O-N 2.81Å; A1148-L1180 HydrophobicContact CB-CB 3.97Å; A1148-L1180 HydrophobicContact CB-CD2 4.28Å; A1148-V1181 PolarHBondContact N-O 2.99Å; A1148-S1204 WeakPolarHBondContact O-CB 3.23Å
1149	S	94.6	Very high	95.5	Very high	4 Å²	4	10.2 Å²	10.2	3%	0.028	5%	0.049	C	C	.	.	G	3₁₀ helix	trans	-67.5	-17.7	175.9	56	0	0	0	0	113.6	E1147 D1183 P1189	E1147-S1149 PolarHBondContact O-N 3.43Å; E1147-S1149 VanDerWaalsContact O-N 3.17Å; S1149-D1183 WeakPolarHBondContact CB-O 3.36Å; S1149-D1183 PolarHBondContact OG-N 3.44Å; S1149-D1183 VanDerWaalsContact OG-N 3.16Å; S1149-D1183 PolarHBondContact OG-O 3.04Å; S1149-P1189 VanDerWaalsContact O-CD 3.28Å; S1149-P1189 WeakPolarHBondContact O-CD 3.43Å
1150	Q	93	Very high	95.7	Very high	24 Å²	24	6.4 Å²	6.4	11%	0.112	3%	0.032	C	C	.	.	G	3₁₀ helix	trans	-93.8	-6.2	176.8	-59.9	177	38.5	0	0	113.3	E1147 A1148 P1189 Q1386	E1147-Q1150 WeakPolarHBondContact O-CB 3.45Å; E1147-Q1150 PolarHBondContact O-N 3.11Å; E1147-Q1150 PolarHBondContact OE2-NE2 3.36Å; A1148-Q1150 PolarHBondContact O-N 2.89Å; Q1150-P1189 VanDerWaalsContact O-CA 3.3Å; Q1150-P1189 WeakPolarHBondContact O-CA 3.38Å; Q1150-P1189 WeakPolarHBondContact O-CB 3.42Å; Q1150-Q1386 VanDerWaalsContact CD-NE2 3.32Å
1151	L	95.3	Very high	95.7	Very high	4 Å²	4	7.3 Å²	7.3	2%	0.021	4%	0.037	C	C	.	.	S	Bend	trans	-92.1	133.3	178.6	-73.7	171.7	0	0	0	110.9	H1047 A1121 I1145 A1148 T1155 T1156 P1189 S1204	H1047-L1151 HydrophobicContact CB-CD2 3.9Å; H1047-L1151 HydrophobicContact CB-CG 4.18Å; A1121-L1151 HydrophobicContact CB-CD1 3.68Å; A1121-L1151 HydrophobicContact CB-CD2 3.92Å; A1121-L1151 HydrophobicContact CB-CG 4.49Å; I1145-L1151 HydrophobicContact CG2-CD1 3.45Å; I1145-L1151 VanDerWaalsContact CG2-CD1 3.45Å; A1148-L1151 PolarHBondContact O-N 2.81Å; L1151-T1155 HydrophobicContact CD2-CG2 3.93Å; L1151-T1156 HydrophobicContact CB-CG2 3.62Å; L1151-T1156 HydrophobicContact CD1-CG2 4.13Å; L1151-P1189 WeakPolarHBondContact O-CG 3.33Å; L1151-S1204 WeakPolarHBondContact O-CA 3.27Å; L1151-S1204 VanDerWaalsContact O-CB 3.3Å; L1151-S1204 WeakPolarHBondContact O-CB 3.23Å
1152	M	95.3	Very high	95.6	Very high	30 Å²	30	6.4 Å²	6.4	15%	0.148	3%	0.032	C	C	.	.			trans	-58.6	140.6	167.6	-66.6	-178.2	-75.5	0	0	109.1	T944 N948 T1155 T1156 P1189	T944-M1152 HydrophobicContact CG2-CE 4.14Å; N948-M1152 VanDerWaalsContact ND2-CE 3.34Å; N948-M1152 WeakPolarHBondContact ND2-CE 3.45Å; M1152-T1155 WeakPolarHBondContact O-CB 3.28Å; M1152-T1155 PolarHBondContact O-N 3.01Å; M1152-T1156 PolarHBondContact O-N 2.64Å; M1152-P1189 HydrophobicContact CB-CB 4.42Å; M1152-P1189 HydrophobicContact CG-CB 3.74Å
1153	F	96.7	Very high	95.5	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-47.7	-51.5	178	156.4	-106.4	0	0	0	113	F783 W787 L952 L955 I969 T1155 T1156 L1157 L1205 L1208	F783-F1153 AromaticContact CE1-CE1 3.4Å; F783-F1153 HydrophobicContact CE1-CE1 3.4Å; F783-F1153 VanDerWaalsContact CE1-CE1 3.4Å; F783-F1153 AromaticContact CE1-CZ 3.52Å; F783-F1153 HydrophobicContact CE1-CZ 3.52Å; F783-F1153 HydrophobicContact CZ-CD1 4.18Å; F783-F1153 AromaticContact CZ-CE1 3.36Å; F783-F1153 HydrophobicContact CZ-CE1 3.36Å; F783-F1153 HydrophobicContact CZ-CE2 4.33Å; F783-F1153 AromaticContact CZ-CZ 3.45Å; F783-F1153 HydrophobicContact CZ-CZ 3.45Å; F783-F1153 VanDerWaalsContact CZ-CZ 3.45Å; W787-F1153 AromaticContact CD2-CD1 3.6Å; W787-F1153 HydrophobicContact CD2-CD1 3.6Å; W787-F1153 HydrophobicContact CD2-CE1 4.1Å; W787-F1153 AromaticContact CE2-CD1 3.5Å; W787-F1153 VanDerWaalsContact CE2-CD1 3.5Å; W787-F1153 AromaticContact CE2-CE1 3.99Å; W787-F1153 AromaticContact CE3-CD1 3.84Å; W787-F1153 HydrophobicContact CE3-CD1 3.84Å; W787-F1153 HydrophobicContact CG-CD1 4.15Å; W787-F1153 HydrophobicContact CG-CE1 4.18Å; W787-F1153 HydrophobicContact CH2-CB 3.71Å; W787-F1153 AromaticContact CH2-CD1 3.92Å; W787-F1153 HydrophobicContact CH2-CD1 3.92Å; W787-F1153 HydrophobicContact CH2-CG 4.14Å; W787-F1153 HydrophobicContact CZ2-CB 4.15Å; W787-F1153 AromaticContact CZ2-CD1 3.68Å; W787-F1153 HydrophobicContact CZ2-CD1 3.68Å; W787-F1153 HydrophobicContact CZ2-CG 4.1Å; W787-F1153 HydrophobicContact CZ3-CB 3.96Å; W787-F1153 AromaticContact CZ3-CD1 3.98Å; W787-F1153 HydrophobicContact CZ3-CD1 3.98Å; W787-F1153 HydrophobicContact CZ3-CG 4.43Å; W787-F1153 AromaticContact NE1-CD1 3.97Å; W787-F1153 AromaticContact NE1-CE1 3.99Å; L952-F1153 HydrophobicContact CD2-CE1 3.85Å; L955-F1153 HydrophobicContact CD2-CZ 4.29Å; I969-F1153 HydrophobicContact CD1-CE2 4.36Å; I969-F1153 HydrophobicContact CG2-CD2 4.39Å; I969-F1153 HydrophobicContact CG2-CE2 3.48Å; I969-F1153 VanDerWaalsContact CG2-CE2 3.48Å; I969-F1153 HydrophobicContact CG2-CZ 3.86Å; F1153-T1155 PolarHBondContact O-N 3.31Å; F1153-T1155 VanDerWaalsContact O-N 3.11Å; F1153-T1156 PolarHBondContact O-N 3.37Å; F1153-T1156 PolarHBondContact O-OG1 2.79Å; F1153-L1157 HydrophobicContact CE1-CD1 4.18Å; F1153-L1157 HydrophobicContact CE2-CD1 4.23Å; F1153-L1157 HydrophobicContact CE2-CD2 3.81Å; F1153-L1157 HydrophobicContact CE2-CG 3.92Å; F1153-L1157 HydrophobicContact CZ-CD1 3.71Å; F1153-L1157 HydrophobicContact CZ-CD2 3.96Å; F1153-L1157 HydrophobicContact CZ-CG 3.93Å; F1153-L1205 HydrophobicContact CD2-CB 4.09Å; F1153-L1205 HydrophobicContact CD2-CD1 3.83Å; F1153-L1205 HydrophobicContact CD2-CG 4.44Å; F1153-L1205 HydrophobicContact CE2-CD1 4.04Å; F1153-L1208 HydrophobicContact CD2-CD2 4.21Å; F1153-L1208 HydrophobicContact CE2-CD2 4.5Å; F1153-L1208 HydrophobicContact CG-CD2 4.45Å
1154	P	95.8	Very high	95.1	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-60.6	-27.4	-179.1	-27.2	37.7	0	0	0	114.2	W787 L791 N948 N951 L952	W787-P1154 HydrophobicContact CE3-CG 3.98Å; L791-P1154 HydrophobicContact CD1-CB 4.3Å; L791-P1154 HydrophobicContact CD1-CG 4.15Å; N948-P1154 HydrophobicContact CB-CB 3.73Å; N951-P1154 WeakPolarHBondContact CB-O 3.46Å; N951-P1154 PolarHBondContact ND2-O 3.37Å; L952-P1154 HydrophobicContact CD1-CG 4.47Å; L952-P1154 HydrophobicContact CD2-CB 4.42Å; L952-P1154 HydrophobicContact CD2-CG 4.35Å; L952-P1154 HydrophobicContact CG-CB 4.28Å; L952-P1154 HydrophobicContact CG-CG 4.49Å
1155	T	95.5	Very high	94.1	Very high	4 Å²	4	10 Å²	10	3%	0.025	5%	0.051	C	C	.	.	H	α-helix	trans	-72.5	-33.2	176.5	-56	0	0	0	0	111.8	N948 A1121 L1122 L1151 M1152 F1153 L1157 G1158 P1159	N948-T1155 PolarHBondContact ND2-OG1 3.02Å; N948-T1155 VanDerWaalsContact OD1-CA 3.28Å; N948-T1155 WeakPolarHBondContact OD1-CA 3.31Å; N948-T1155 PolarHBondContact OD1-N 3.27Å; N948-T1155 PolarHBondContact OD1-OG1 3.25Å; A1121-T1155 HydrophobicContact CB-CG2 4Å; L1122-T1155 HydrophobicContact CD2-CG2 3.63Å; L1122-T1155 HydrophobicContact CG-CG2 3.91Å; L1151-T1155 HydrophobicContact CD2-CG2 3.93Å; M1152-T1155 WeakPolarHBondContact O-CB 3.28Å; M1152-T1155 PolarHBondContact O-N 3.01Å; F1153-T1155 PolarHBondContact O-N 3.31Å; F1153-T1155 VanDerWaalsContact O-N 3.11Å; T1155-L1157 VanDerWaalsContact C-N 3.26Å; T1155-L1157 PolarHBondContact O-N 3.17Å; T1155-G1158 PolarHBondContact O-N 3.24Å; T1155-P1159 WeakPolarHBondContact O-CD 3.35Å
1156	T	96.6	Very high	92.4	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-67.7	-25.9	177.7	65.8	0	0	0	0	113.1	L1151 M1152 F1153 G1158 P1159 L1160 L1205	L1151-T1156 HydrophobicContact CB-CG2 3.62Å; L1151-T1156 HydrophobicContact CD1-CG2 4.13Å; M1152-T1156 PolarHBondContact O-N 2.64Å; F1153-T1156 PolarHBondContact O-N 3.37Å; F1153-T1156 PolarHBondContact O-OG1 2.79Å; T1156-G1158 VanDerWaalsContact C-N 3.31Å; T1156-G1158 PolarHBondContact O-N 2.78Å; T1156-P1159 VanDerWaalsContact O-CD 3.28Å; T1156-P1159 WeakPolarHBondContact O-CD 3.34Å; T1156-L1160 WeakPolarHBondContact O-CG 3.49Å; T1156-L1160 PolarHBondContact O-N 2.93Å; T1156-L1205 HydrophobicContact CG2-CB 4.09Å; T1156-L1205 WeakPolarHBondContact OG1-CB 3.16Å; T1156-L1205 WeakPolarHBondContact OG1-CD2 3.29Å
1157	L	95.9	Very high	90.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62	-35	177.6	-69.8	176	0	0	0	113	N951 L952 L955 I969 F1153 T1155 L1160 L1161	N951-L1157 HydrophobicContact CB-CB 3.89Å; N951-L1157 HydrophobicContact CB-CD1 4.32Å; L952-L1157 HydrophobicContact CD2-CD1 3.93Å; L955-L1157 HydrophobicContact CB-CD1 4.23Å; L955-L1157 HydrophobicContact CD1-CD2 4.21Å; L955-L1157 HydrophobicContact CD2-CD1 3.97Å; L955-L1157 HydrophobicContact CD2-CD2 4Å; I969-L1157 HydrophobicContact CD1-CD2 3.82Å; F1153-L1157 HydrophobicContact CE1-CD1 4.18Å; F1153-L1157 HydrophobicContact CE2-CD1 4.23Å; F1153-L1157 HydrophobicContact CE2-CD2 3.81Å; F1153-L1157 HydrophobicContact CE2-CG 3.92Å; F1153-L1157 HydrophobicContact CZ-CD1 3.71Å; F1153-L1157 HydrophobicContact CZ-CD2 3.96Å; F1153-L1157 HydrophobicContact CZ-CG 3.93Å; T1155-L1157 VanDerWaalsContact C-N 3.26Å; T1155-L1157 PolarHBondContact O-N 3.17Å; L1157-L1160 PolarHBondContact O-N 3.27Å; L1157-L1160 VanDerWaalsContact O-N 3.08Å; L1157-L1161 VanDerWaalsContact O-CG 3.24Å; L1157-L1161 WeakPolarHBondContact O-CG 3.46Å; L1157-L1161 PolarHBondContact O-N 2.94Å
1158	G	94	Very high	88.5	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-52.5	-58.8	179.2	0	0	0	0	0	112.9	N951 A1124 T1155 T1156 L1160 L1161	N951-G1158 PolarHBondContact ND2-N 3.43Å; A1124-G1158 CarbonylContact O-C 3.59Å; A1124-G1158 WeakPolarHBondContact O-CA 3.25Å; T1155-G1158 PolarHBondContact O-N 3.24Å; T1156-G1158 VanDerWaalsContact C-N 3.31Å; T1156-G1158 PolarHBondContact O-N 2.78Å; G1158-L1160 VanDerWaalsContact C-N 3.31Å; G1158-L1160 PolarHBondContact O-N 2.88Å; G1158-L1161 PolarHBondContact O-N 3.27Å
1159	P	95.9	Very high	86.1	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-53.3	-42.4	171.4	-27.2	32.3	0	0	0	114.2	L1043 T1045 A1121 A1124 V1143 I1145 T1155 T1156 L1161 C1162	L1043-P1159 HydrophobicContact CD2-CB 4.35Å; T1045-P1159 HydrophobicContact CG2-CB 4.02Å; T1045-P1159 HydrophobicContact CG2-CG 3.91Å; A1121-P1159 HydrophobicContact CB-CG 3.93Å; A1124-P1159 HydrophobicContact CB-CB 4.39Å; A1124-P1159 HydrophobicContact CB-CG 3.98Å; V1143-P1159 HydrophobicContact CG1-CB 3.67Å; V1143-P1159 WeakPolarHBondContact CG2-O 3.21Å; I1145-P1159 HydrophobicContact CD1-CB 4.06Å; I1145-P1159 HydrophobicContact CD1-CG 4.33Å; T1155-P1159 WeakPolarHBondContact O-CD 3.35Å; T1156-P1159 VanDerWaalsContact O-CD 3.28Å; T1156-P1159 WeakPolarHBondContact O-CD 3.34Å; P1159-L1161 VanDerWaalsContact C-N 3.31Å; P1159-L1161 PolarHBondContact O-N 3.48Å; P1159-C1162 VanDerWaalsContact O-CB 3.28Å; P1159-C1162 WeakPolarHBondContact O-CB 3.3Å; P1159-C1162 PolarHBondContact O-N 3.22Å
1160	L	95.7	Very high	83.6	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.5	-32.7	-178.5	-60.7	-176.9	0	0	0	113	L965 I969 V1143 I1145 T1156 L1157 G1158 C1162 L1163 F1178 L1205	L965-L1160 HydrophobicContact CD1-CB 4.07Å; L965-L1160 HydrophobicContact CD2-CB 4.18Å; L965-L1160 HydrophobicContact CD2-CD1 4.22Å; I969-L1160 HydrophobicContact CD1-CD1 4Å; V1143-L1160 HydrophobicContact CB-CD2 4.47Å; V1143-L1160 HydrophobicContact CG1-CD2 4.24Å; I1145-L1160 HydrophobicContact CD1-CD2 4.41Å; T1156-L1160 WeakPolarHBondContact O-CG 3.49Å; T1156-L1160 PolarHBondContact O-N 2.93Å; L1157-L1160 PolarHBondContact O-N 3.27Å; L1157-L1160 VanDerWaalsContact O-N 3.08Å; G1158-L1160 VanDerWaalsContact C-N 3.31Å; G1158-L1160 PolarHBondContact O-N 2.88Å; L1160-C1162 PolarHBondContact O-N 3.25Å; L1160-C1162 VanDerWaalsContact O-N 3.13Å; L1160-L1163 HydrophobicContact CD2-CD1 4.38Å; L1160-L1163 VanDerWaalsContact O-CB 3.31Å; L1160-L1163 WeakPolarHBondContact O-CB 3.38Å; L1160-L1163 WeakPolarHBondContact O-CD1 3.33Å; L1160-L1163 VanDerWaalsContact O-CG 3.32Å; L1160-L1163 WeakPolarHBondContact O-CG 3.26Å; L1160-L1163 PolarHBondContact O-N 2.93Å; L1160-F1178 HydrophobicContact CD2-CB 3.31Å; L1160-F1178 HydrophobicContact CD2-CD1 3.77Å; L1160-F1178 HydrophobicContact CD2-CD2 3.91Å; L1160-F1178 HydrophobicContact CD2-CG 3.4Å; L1160-L1205 HydrophobicContact CD1-CD2 3.7Å
1161	L	92.9	Very high	81.4	Confident	19 Å²	19	47 Å²	47	10%	0.099	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-8.4	174.8	-66.2	162.9	0	0	0	113.1	S954 L965 K1139 L1157 G1158 P1159	S954-L1161 VanDerWaalsContact CB-CD1 3.43Å; L965-L1161 HydrophobicContact CD1-CD2 4.46Å; K1139-L1161 PolarHBondContact NZ-O 3.46Å; L1157-L1161 VanDerWaalsContact O-CG 3.24Å; L1157-L1161 WeakPolarHBondContact O-CG 3.46Å; L1157-L1161 PolarHBondContact O-N 2.94Å; G1158-L1161 PolarHBondContact O-N 3.27Å; P1159-L1161 VanDerWaalsContact C-N 3.31Å; P1159-L1161 PolarHBondContact O-N 3.48Å
1162	C	92.9	Very high	79	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-2.5	173	-55.5	0	0	0	0	113.2	L1043 K1139 F1140 P1159 L1160	L1043-C1162 HydrophobicContact CD2-CB 3.74Å; K1139-C1162 WeakPolarHBondContact CA-O 3.28Å; F1140-C1162 HydrophobicContact CD2-CB 3.86Å; F1140-C1162 WeakPolarHBondContact CD2-O 3.46Å; F1140-C1162 HydrophobicContact CE2-CB 4.17Å; F1140-C1162 PolarHBondContact N-O 3.19Å; P1159-C1162 VanDerWaalsContact O-CB 3.28Å; P1159-C1162 WeakPolarHBondContact O-CB 3.3Å; P1159-C1162 PolarHBondContact O-N 3.22Å; L1160-C1162 PolarHBondContact O-N 3.25Å; L1160-C1162 VanDerWaalsContact O-N 3.13Å
1163	L	93.5	Very high	76.6	Confident	4 Å²	4	53.6 Å²	53.6	2%	0.021	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-60.5	144.2	172.3	-73.1	167	0	0	0	110.7	L961 K1139 F1140 V1143 L1160 C1176 R1177 F1178	L961-L1163 HydrophobicContact CD1-CB 3.73Å; L961-L1163 HydrophobicContact CD1-CD1 4.16Å; L961-L1163 HydrophobicContact CD2-CB 4.08Å; L961-L1163 WeakPolarHBondContact CD2-O 3.36Å; K1139-L1163 WeakPolarHBondContact CD-O 3.46Å; K1139-L1163 PolarHBondContact NZ-O 2.69Å; F1140-L1163 WeakPolarHBondContact O-CA 3.39Å; V1143-L1163 HydrophobicContact CB-CD2 4.1Å; V1143-L1163 HydrophobicContact CB-CG 4.48Å; V1143-L1163 HydrophobicContact CG2-CD2 3.52Å; V1143-L1163 HydrophobicContact CG2-CG 3.74Å; L1160-L1163 HydrophobicContact CD2-CD1 4.38Å; L1160-L1163 VanDerWaalsContact O-CB 3.31Å; L1160-L1163 WeakPolarHBondContact O-CB 3.38Å; L1160-L1163 WeakPolarHBondContact O-CD1 3.33Å; L1160-L1163 VanDerWaalsContact O-CG 3.32Å; L1160-L1163 WeakPolarHBondContact O-CG 3.26Å; L1160-L1163 PolarHBondContact O-N 2.93Å; L1163-C1176 HydrophobicContact CB-CB 4.27Å; L1163-C1176 HydrophobicContact CD2-CB 4.18Å; L1163-R1177 WeakPolarHBondContact CD2-O 3.48Å; L1163-F1178 HydrophobicContact CD1-CD1 4.25Å
1164	A	88.8	Confident	74.5	Confident	12 Å²	12	59 Å²	59	10%	0.099	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-63.3	155.6	169.5	0	0	0	0	0	110.3	K1139 F1140 C1176	K1139-A1164 HydrophobicContact CB-CB 4.02Å; F1140-A1164 PolarHBondContact O-N 2.98Å; A1164-C1176 VanDerWaalsContact CB-SG 3.57Å; A1164-C1176 WeakPolarHBondContact O-CB 3.17Å; A1164-C1176 PolarHBondContact O-SG 2.68Å
1165	E	77.1	Confident	72.9	Confident	60 Å²	60	59.8 Å²	59.8	28%	0.28	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-89.2	141.3	170.1	-77.1	178.1	-177.7	0	0	109.1	L961 Q1167	L961-E1165 HydrophobicContact CB-CG 3.87Å; E1165-Q1167 PolarHBondContact O-N 2.89Å
1166	E	63.2	Low	72.3	Confident	105 Å²	105	60.2 Å²	60.2	49%	0.491	32%	0.317	S	S	.	.			trans	-67.9	105.3	175.4	-170.4	167.2	-159.3	0	0	109
1167	Q	55.6	Low	72	Confident	151 Å²	151	60.8 Å²	60.8	71%	0.706	32%	0.32	S	S	*	.			trans	-80.8	138.1	163.8	-68.5	-176	-19.3	0	0	107.6	E1165	E1165-Q1167 PolarHBondContact O-N 2.89Å
1168	Q	53.9	Low	72	Confident	181 Å²	181	60.9 Å²	60.9	85%	0.846	32%	0.32	S	S	*	.			trans	-32.4	139.7	-172	-72.2	177.4	-16.9	0	0	114.6	L1170	Q1168-L1170 PolarHBondContact O-N 3.18Å
1169	P	45.6	Very low	72.2	Confident	113 Å²	113	61 Å²	61	73%	0.734	32%	0.32	S	S	*	.			trans	-78.4	92.4	-171.4	32	-33.5	0	0	0	111
1170	L	43.1	Very low	72.3	Confident	156 Å²	156	61 Å²	61	82%	0.817	32%	0.32	S	S	*	.	S	Bend	trans	-104.7	111.6	154.4	-111.2	78.1	0	0	0	107.3	Q1168	Q1168-L1170 PolarHBondContact O-N 3.18Å
1171	D	46	Very low	72.4	Confident	147 Å²	147	61 Å²	61	79%	0.786	32%	0.321	S	S	*	.	S	Bend	trans	66.9	92.2	173.3	-58.4	-25.2	0	0	0	118.3
1172	S	44.5	Very low	72.5	Confident	110 Å²	110	60.1 Å²	60.1	77%	0.769	32%	0.316	S	S	*	.	S	Bend	trans	57.2	97.5	153	56.5	0	0	0	0	119.1
1173	I	44.5	Very low	72.6	Confident	64 Å²	64	60.1 Å²	60.1	33%	0.328	32%	0.316	S	S	.	.			trans	54.9	74.2	159.1	-43.2	167.1	0	0	0	115.4	L978 K1040 C1175 R1177	L978-I1173 HydrophobicContact CD1-CD1 3.57Å; L978-I1173 HydrophobicContact CD1-CG1 4.3Å; L978-I1173 HydrophobicContact CD2-CD1 4.27Å; L978-I1173 HydrophobicContact CD2-CG1 4.39Å; K1040-I1173 PolarHBondContact NZ-O 3.09Å; I1173-C1175 HydrophobicContact CG2-CB 4.24Å; I1173-R1177 VanDerWaalsContact CG2-NH2 3.3Å
1174	K	52.9	Low	72.5	Confident	112 Å²	112	61.2 Å²	61.2	49%	0.487	32%	0.324	S	S	.	.			trans	-102.5	47	147.3	-151.3	-179.2	-177.6	-175.1	0	111
1175	C	63.1	Low	72.7	Confident	17 Å²	17	63.7 Å²	63.7	12%	0.115	33%	0.331	C	S	.	.			trans	-75.4	131	172.2	-52.2	0	0	0	0	109.7	I1173 R1177	I1173-C1175 HydrophobicContact CG2-CB 4.24Å; C1175-R1177 WeakPolarHBondContact O-CG 3.41Å
1176	C	82.6	Confident	73.4	Confident	13 Å²	13	61.3 Å²	61.3	9%	0.088	32%	0.32	C	S	.	.			trans	-87.3	128.5	175.7	-59.3	0	0	0	0	108.9	D1141 L1163 A1164	D1141-C1176 WeakPolarHBondContact O-CA 3.39Å; L1163-C1176 HydrophobicContact CB-CB 4.27Å; L1163-C1176 HydrophobicContact CD2-CB 4.18Å; A1164-C1176 VanDerWaalsContact CB-SG 3.57Å; A1164-C1176 WeakPolarHBondContact O-CB 3.17Å; A1164-C1176 PolarHBondContact O-SG 2.68Å
1177	R	90.6	Very high	74.8	Confident	13 Å²	13	56.9 Å²	56.9	5%	0.049	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	150.9	-168.7	-12.9	-172.2	-170.2	113.4	-2.2	112.5	S1010 Q1011 S1012 D1141 V1142 V1143 L1163 I1173 C1175	S1010-R1177 WeakPolarHBondContact O-CD 3.47Å; Q1011-R1177 WeakPolarHBondContact O-CG 3.45Å; S1012-R1177 CarbonylContact O-C 3.48Å; S1012-R1177 WeakPolarHBondContact O-CA 3.32Å; D1141-R1177 PolarHBondContact O-N 3.29Å; V1142-R1177 CarbonylContact C-O 3.54Å; V1142-R1177 VanDerWaalsContact CA-O 3.26Å; V1142-R1177 WeakPolarHBondContact CA-O 2.99Å; V1143-R1177 PolarHBondContact N-O 2.98Å; L1163-R1177 WeakPolarHBondContact CD2-O 3.48Å; I1173-R1177 VanDerWaalsContact CG2-NH2 3.3Å; C1175-R1177 WeakPolarHBondContact O-CG 3.41Å
1178	F	96.6	Very high	76.5	Confident	2 Å²	2	52 Å²	52	1%	0.009	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	140.6	170.8	65	-92.1	0	0	0	113.5	L965 L968 S1012 Y1013 I1014 V1143 L1160 L1163 L1180 L1205 L1209	L965-F1178 HydrophobicContact CD2-CE1 4.24Å; L968-F1178 HydrophobicContact CD1-CE1 4.04Å; S1012-F1178 PolarHBondContact O-N 3.35Å; Y1013-F1178 WeakPolarHBondContact CA-O 3.16Å; Y1013-F1178 WeakPolarHBondContact CB-O 3.3Å; Y1013-F1178 HydrophobicContact CD1-CE1 4.43Å; Y1013-F1178 HydrophobicContact CD1-CE2 4.5Å; Y1013-F1178 AromaticContact CD1-CZ 3.91Å; Y1013-F1178 HydrophobicContact CD1-CZ 3.91Å; Y1013-F1178 HydrophobicContact CD2-CE2 4.38Å; Y1013-F1178 HydrophobicContact CG-CE1 4.37Å; Y1013-F1178 AromaticContact CG-CE2 3.86Å; Y1013-F1178 HydrophobicContact CG-CE2 3.86Å; Y1013-F1178 AromaticContact CG-CZ 3.72Å; Y1013-F1178 HydrophobicContact CG-CZ 3.72Å; I1014-F1178 PolarHBondContact N-O 3.49Å; I1014-F1178 VanDerWaalsContact N-O 3.14Å; V1143-F1178 HydrophobicContact CB-CB 4.24Å; V1143-F1178 CarbonylContact O-C 3.54Å; V1143-F1178 WeakPolarHBondContact O-CA 3.22Å; L1160-F1178 HydrophobicContact CD2-CB 3.31Å; L1160-F1178 HydrophobicContact CD2-CD1 3.77Å; L1160-F1178 HydrophobicContact CD2-CD2 3.91Å; L1160-F1178 HydrophobicContact CD2-CG 3.4Å; L1163-F1178 HydrophobicContact CD1-CD1 4.25Å; F1178-L1180 HydrophobicContact CD2-CD1 4.31Å; F1178-L1180 HydrophobicContact CD2-CD2 3.95Å; F1178-L1180 HydrophobicContact CD2-CG 3.89Å; F1178-L1180 HydrophobicContact CE2-CD1 4.08Å; F1178-L1180 HydrophobicContact CE2-CD2 4.5Å; F1178-L1180 HydrophobicContact CE2-CG 4.14Å; F1178-L1205 HydrophobicContact CE2-CD2 4.36Å; F1178-L1209 HydrophobicContact CE2-CD1 3.92Å; F1178-L1209 HydrophobicContact CZ-CD1 4.2Å
1179	V	97.4	Very high	78.4	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	113.1	-176	-179.9	0	0	0	0	107.4	T1007 I1014 I1016 L1031 V1142 V1143 L1144 I1145 V1181	T1007-V1179 HydrophobicContact CG2-CG2 3.69Å; I1014-V1179 HydrophobicContact CG2-CB 3.99Å; I1014-V1179 HydrophobicContact CG2-CG1 3.75Å; I1014-V1179 HydrophobicContact CG2-CG2 3.75Å; I1016-V1179 HydrophobicContact CD1-CG1 3.91Å; I1016-V1179 HydrophobicContact CG1-CG1 4.34Å; L1031-V1179 HydrophobicContact CD2-CG1 4.03Å; L1031-V1179 HydrophobicContact CD2-CG2 4.46Å; V1142-V1179 HydrophobicContact CG1-CG2 4.04Å; V1143-V1179 PolarHBondContact O-N 2.63Å; L1144-V1179 HydrophobicContact CG-CB 4.45Å; I1145-V1179 PolarHBondContact N-O 3.17Å; V1179-V1181 HydrophobicContact CG1-CG2 3.91Å
1180	L	98.1	Very high	80.5	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	127.6	176.6	-53.2	-176.1	0	0	0	109.4	I1014 L1015 I1016 I1145 A1148 F1178 L1205 F1206 L1209	I1014-L1180 PolarHBondContact O-N 3.44Å; L1015-L1180 HydrophobicContact CD2-CB 3.87Å; L1015-L1180 HydrophobicContact CD2-CD1 3.77Å; L1015-L1180 HydrophobicContact CD2-CG 4.11Å; I1016-L1180 PolarHBondContact N-O 2.87Å; I1145-L1180 HydrophobicContact CB-CD2 3.83Å; I1145-L1180 HydrophobicContact CD1-CD2 3.7Å; I1145-L1180 HydrophobicContact CG1-CD2 3.87Å; A1148-L1180 HydrophobicContact CB-CB 3.97Å; A1148-L1180 HydrophobicContact CB-CD2 4.28Å; F1178-L1180 HydrophobicContact CD2-CD1 4.31Å; F1178-L1180 HydrophobicContact CD2-CD2 3.95Å; F1178-L1180 HydrophobicContact CD2-CG 3.89Å; F1178-L1180 HydrophobicContact CE2-CD1 4.08Å; F1178-L1180 HydrophobicContact CE2-CD2 4.5Å; F1178-L1180 HydrophobicContact CE2-CG 4.14Å; L1180-L1205 HydrophobicContact CD1-CB 4.21Å; L1180-L1205 HydrophobicContact CD1-CD2 3.78Å; L1180-L1205 HydrophobicContact CD1-CG 3.71Å; L1180-L1205 HydrophobicContact CD2-CD2 4.48Å; L1180-F1206 HydrophobicContact CB-CD2 3.76Å; L1180-F1206 HydrophobicContact CB-CE2 4.39Å; L1180-F1206 WeakPolarHBondContact O-CE2 2.99Å; L1180-L1209 HydrophobicContact CD1-CD1 4.02Å
1181	V	97.2	Very high	82.7	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	130.4	-175.5	-172.5	0	0	0	0	107.9	I1016 K1024 L1028 I1145 E1147 A1148 V1179	I1016-V1181 HydrophobicContact CB-CB 4.46Å; I1016-V1181 HydrophobicContact CB-CG1 4.22Å; I1016-V1181 HydrophobicContact CB-CG2 4.15Å; I1016-V1181 HydrophobicContact CD1-CG2 4.23Å; I1016-V1181 HydrophobicContact CG1-CG2 4.4Å; I1016-V1181 HydrophobicContact CG2-CG1 4.29Å; K1024-V1181 HydrophobicContact CD-CG1 4Å; K1024-V1181 HydrophobicContact CG-CG1 4.47Å; L1028-V1181 HydrophobicContact CD1-CB 4.36Å; L1028-V1181 HydrophobicContact CD1-CG1 4.12Å; L1028-V1181 HydrophobicContact CD1-CG2 4.22Å; L1028-V1181 HydrophobicContact CD2-CB 4.24Å; L1028-V1181 HydrophobicContact CD2-CG1 4.11Å; L1028-V1181 HydrophobicContact CD2-CG2 3.36Å; L1028-V1181 HydrophobicContact CG-CG1 4.41Å; L1028-V1181 HydrophobicContact CG-CG2 4.35Å; I1145-V1181 PolarHBondContact O-N 3.17Å; E1147-V1181 CarbonylContact C-O 3.58Å; E1147-V1181 WeakPolarHBondContact CA-O 3.41Å; E1147-V1181 PolarHBondContact N-O 2.98Å; A1148-V1181 PolarHBondContact N-O 2.99Å; V1179-V1181 HydrophobicContact CG1-CG2 3.91Å
1182	G	95.1	Very high	84.6	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.9	-175.2	-179.5	0	0	0	0	0	112.2	I1016 K1017 G1018	I1016-G1182 PolarHBondContact O-N 3.29Å; I1016-G1182 VanDerWaalsContact O-N 3.13Å; K1017-G1182 CarbonylContact C-O 3.59Å; K1017-G1182 WeakPolarHBondContact CA-O 3.41Å; G1018-G1182 PolarHBondContact N-O 2.95Å
1183	D	94.8	Very high	86.7	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.144	C	C	.	.			trans	-124.3	106.4	172.2	-172.3	-8.8	0	0	0	108.7	S1149 Y1185 Q1186 Y1256	S1149-D1183 WeakPolarHBondContact CB-O 3.36Å; S1149-D1183 PolarHBondContact OG-N 3.44Å; S1149-D1183 VanDerWaalsContact OG-N 3.16Å; S1149-D1183 PolarHBondContact OG-O 3.04Å; D1183-Y1185 PolarHBondContact O-N 3.16Å; D1183-Y1185 WeakPolarHBondContact OD1-CB 3.48Å; D1183-Y1185 WeakPolarHBondContact OD1-CD2 3.41Å; D1183-Y1185 PolarHBondContact OD1-N 3.42Å; D1183-Q1186 HydrophobicContact CB-CB 4.18Å; D1183-Q1186 HydrophobicContact CB-CG 4.14Å; D1183-Q1186 PolarHBondContact O-N 3.33Å; D1183-Q1186 WeakPolarHBondContact OD2-CG 3.43Å; D1183-Q1186 PolarHBondContact OD2-NE2 3.02Å; D1183-Y1256 PolarHBondContact OD2-OH 2.94Å
1184	P	92.9	Very high	88.7	Confident	28 Å²	28	30.6 Å²	30.6	18%	0.182	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-8.5	179.7	30.8	-36.2	0	0	0	112.9	K1017 F1206	K1017-P1184 HydrophobicContact CD-CG 4.49Å; P1184-F1206 HydrophobicContact CB-CD1 4.16Å; P1184-F1206 HydrophobicContact CB-CE1 4.31Å; P1184-F1206 HydrophobicContact CG-CD1 4.24Å; P1184-F1206 HydrophobicContact CG-CE1 3.88Å
1185	Y	92.4	Very high	90.4	Very high	64 Å²	64	28.9 Å²	28.9	25%	0.251	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-0.2	177.5	-52.3	-68.6	0	0	0	113.4	Y1019 D1183 N1255 Y1256	Y1019-Y1185 HydrophobicContact CE1-CD2 4.18Å; Y1019-Y1185 HydrophobicContact CE1-CE2 4.18Å; D1183-Y1185 PolarHBondContact O-N 3.16Å; D1183-Y1185 WeakPolarHBondContact OD1-CB 3.48Å; D1183-Y1185 WeakPolarHBondContact OD1-CD2 3.41Å; D1183-Y1185 PolarHBondContact OD1-N 3.42Å; Y1185-N1255 PolarHBondContact O-ND2 2.98Å; Y1185-Y1256 AromaticContact CD2-CD1 3.77Å; Y1185-Y1256 HydrophobicContact CD2-CD1 3.77Å; Y1185-Y1256 AromaticContact CD2-CE1 3.63Å; Y1185-Y1256 HydrophobicContact CD2-CE1 3.63Å; Y1185-Y1256 HydrophobicContact CE2-CD1 4.37Å; Y1185-Y1256 HydrophobicContact CG-CD1 4.39Å; Y1185-Y1256 HydrophobicContact CG-CE1 4.12Å
1186	Q	91.8	Very high	91.8	Very high	9 Å²	9	28 Å²	28	4%	0.042	14%	0.135	C	C	.	.	S	Bend	trans	-99.2	-164.5	168.6	-76.2	-179.1	60.8	0	0	110.1	D1183 P1425 T1428 V1429	D1183-Q1186 HydrophobicContact CB-CB 4.18Å; D1183-Q1186 HydrophobicContact CB-CG 4.14Å; D1183-Q1186 PolarHBondContact O-N 3.33Å; D1183-Q1186 WeakPolarHBondContact OD2-CG 3.43Å; D1183-Q1186 PolarHBondContact OD2-NE2 3.02Å; Q1186-P1425 WeakPolarHBondContact O-CB 3.48Å; Q1186-T1428 HydrophobicContact CG-CG2 4.25Å; Q1186-V1429 HydrophobicContact CB-CG2 4.05Å; Q1186-V1429 HydrophobicContact CG-CG2 3.99Å
1187	L	91.1	Very high	92.1	Very high	12 Å²	12	30.7 Å²	30.7	6%	0.063	14%	0.143	C	C	.	.			trans	-55.7	125.4	-173.7	-68.2	170.7	0	0	0	112	D1383 Q1386 R1426 V1429	L1187-D1383 HydrophobicContact CD1-CB 4.32Å; L1187-Q1386 HydrophobicContact CD1-CB 4.43Å; L1187-R1426 HydrophobicContact CD2-CB 4.42Å; L1187-R1426 HydrophobicContact CD2-CG 3.43Å; L1187-R1426 VanDerWaalsContact CD2-CG 3.43Å; L1187-V1429 HydrophobicContact CD1-CG2 4.16Å; L1187-V1429 HydrophobicContact CG-CG2 3.85Å
1188	P	93.2	Very high	92	Very high	48 Å²	48	34.5 Å²	34.5	31%	0.312	16%	0.163	S	C	.	.			trans	-73.7	176.4	170.9	34.4	-36.7	0	0	0	110.5	D1202	P1188-D1202 HydrophobicContact CB-CB 4.34Å
1189	P	93.7	Very high	91.7	Very high	4 Å²	4	34.9 Å²	34.9	3%	0.026	17%	0.168	C	C	.	.			trans	-55.3	142.2	172.4	-20.1	34.9	0	0	0	112.3	S1149 Q1150 L1151 M1152 V1191 D1202	S1149-P1189 VanDerWaalsContact O-CD 3.28Å; S1149-P1189 WeakPolarHBondContact O-CD 3.43Å; Q1150-P1189 VanDerWaalsContact O-CA 3.3Å; Q1150-P1189 WeakPolarHBondContact O-CA 3.38Å; Q1150-P1189 WeakPolarHBondContact O-CB 3.42Å; L1151-P1189 WeakPolarHBondContact O-CG 3.33Å; M1152-P1189 HydrophobicContact CB-CB 4.42Å; M1152-P1189 HydrophobicContact CG-CB 3.74Å; P1189-V1191 PolarHBondContact O-N 3.46Å; P1189-V1191 VanDerWaalsContact O-N 3.1Å; P1189-D1202 WeakPolarHBondContact CD-O 3.36Å
1190	L	87.9	Confident	91.4	Very high	123 Å²	123	35.6 Å²	35.6	64%	0.644	18%	0.175	S	C	*	.			trans	-74	104.5	179.4	-177.7	67.5	0	0	0	110.7
1191	V	90.2	Very high	91.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.175	C	C	.	.			trans	-106.6	131.7	169.9	-178.8	0	0	0	0	108.7	E794 P1189 S1193 A1196 R1197 L1201 D1202	E794-V1191 VanDerWaalsContact OE2-CG1 3.3Å; E794-V1191 WeakPolarHBondContact OE2-CG1 3.37Å; P1189-V1191 PolarHBondContact O-N 3.46Å; P1189-V1191 VanDerWaalsContact O-N 3.1Å; V1191-S1193 WeakPolarHBondContact CG1-O 3.38Å; V1191-A1196 HydrophobicContact CG1-CB 4.05Å; V1191-R1197 HydrophobicContact CB-CB 4.23Å; V1191-R1197 HydrophobicContact CG1-CB 3.96Å; V1191-R1197 PolarHBondContact O-NH2 3.48Å; V1191-L1201 HydrophobicContact CG1-CB 4.23Å; V1191-L1201 HydrophobicContact CG1-CD2 3.99Å; V1191-L1201 HydrophobicContact CG1-CG 4.36Å; V1191-L1201 HydrophobicContact CG2-CB 3.95Å; V1191-L1201 HydrophobicContact CG2-CD2 4.26Å; V1191-L1201 HydrophobicContact CG2-CG 3.87Å; V1191-D1202 HydrophobicContact CG2-CB 3.78Å
1192	R	86.3	Confident	91	Very high	106 Å²	106	37.8 Å²	37.8	40%	0.4	19%	0.187	S	C	.	.			trans	-89.1	-41.6	179.4	-70.6	168.5	163.8	-165.6	-5.5	111.5	E794 N798 Q1194	E794-R1192 WeakPolarHBondContact OE1-CB 3.34Å; E794-R1192 PolarHBondContact OE1-N 3.12Å; E794-R1192 PolarHBondContact OE2-N 3.1Å; N798-R1192 WeakPolarHBondContact OD1-CD 3.39Å; N798-R1192 PolarHBondContact OD1-NH1 3.24Å; R1192-Q1194 PolarHBondContact O-N 2.96Å
1193	S	88.9	Confident	91	Very high	1 Å²	1	40 Å²	40	1%	0.007	20%	0.198	C	C	.	.			trans	-65.4	118.6	176.3	177.1	0	0	0	0	110.6	E794 D797 V1191 K1195 A1196 R1197	E794-S1193 WeakPolarHBondContact OE2-CB 3.38Å; E794-S1193 PolarHBondContact OE2-N 2.91Å; D797-S1193 WeakPolarHBondContact OD2-CA 3.4Å; D797-S1193 WeakPolarHBondContact OD2-CB 3.29Å; D797-S1193 PolarHBondContact OD2-OG 3.45Å; V1191-S1193 WeakPolarHBondContact CG1-O 3.38Å; S1193-K1195 PolarHBondContact O-N 2.95Å; S1193-K1195 PolarHBondContact OG-N 3.37Å; S1193-A1196 PolarHBondContact O-N 3.09Å; S1193-A1196 PolarHBondContact OG-N 3.41Å; S1193-R1197 VanDerWaalsContact O-CB 3.3Å; S1193-R1197 WeakPolarHBondContact O-CB 3.12Å; S1193-R1197 PolarHBondContact O-N 3.37Å
1194	Q	86.5	Confident	91.1	Very high	89 Å²	89	40 Å²	40	42%	0.416	20%	0.198	S	C	.	.	H	α-helix	trans	-64.1	-34.2	172.2	-173.7	63.8	10.7	0	0	110.9	R1192 R1197 L1198	R1192-Q1194 PolarHBondContact O-N 2.96Å; Q1194-R1197 PolarHBondContact O-N 3.23Å; Q1194-L1198 HydrophobicContact CG-CD1 4.21Å; Q1194-L1198 HydrophobicContact CG-CG 4.47Å; Q1194-L1198 WeakPolarHBondContact O-CB 3.44Å; Q1194-L1198 VanDerWaalsContact O-CG 3.23Å; Q1194-L1198 WeakPolarHBondContact O-CG 3.31Å; Q1194-L1198 PolarHBondContact O-N 3.11Å
1195	K	88.4	Confident	91.3	Very high	75 Å²	75	38.8 Å²	38.8	33%	0.326	19%	0.189	S	C	.	.	H	α-helix	trans	-64.1	-49.6	176.3	-63.4	172.9	-180	169.2	0	111.3	D710 T793 S1193 R1197 L1198 G1199	D710-K1195 IonicContact OD1-NZ 3.55Å; D710-K1195 PolarHBondContact OD1-NZ 3.34Å; D710-K1195 IonicContact OD2-NZ 3.78Å; T793-K1195 HydrophobicContact CG2-CB 3.79Å; T793-K1195 HydrophobicContact CG2-CD 4.25Å; S1193-K1195 PolarHBondContact O-N 2.95Å; S1193-K1195 PolarHBondContact OG-N 3.37Å; K1195-R1197 VanDerWaalsContact C-N 3.31Å; K1195-R1197 PolarHBondContact O-N 2.7Å; K1195-L1198 PolarHBondContact O-N 3Å; K1195-G1199 PolarHBondContact O-N 3.36Å
1196	A	91.5	Very high	91.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-66.1	-36.4	179.1	0	0	0	0	0	111.8	T793 E794 V1191 S1193 G1199 G1200 L1201	T793-A1196 HydrophobicContact CG2-CB 4.3Å; E794-A1196 HydrophobicContact CB-CB 4.29Å; V1191-A1196 HydrophobicContact CG1-CB 4.05Å; S1193-A1196 PolarHBondContact O-N 3.09Å; S1193-A1196 PolarHBondContact OG-N 3.41Å; A1196-G1199 CarbonylContact O-C 3.46Å; A1196-G1199 PolarHBondContact O-N 3Å; A1196-G1200 PolarHBondContact O-N 2.76Å; A1196-L1201 HydrophobicContact CB-CB 4.07Å; A1196-L1201 HydrophobicContact CB-CD2 3.74Å; A1196-L1201 VanDerWaalsContact O-CB 3.22Å; A1196-L1201 WeakPolarHBondContact O-CB 3.38Å; A1196-L1201 PolarHBondContact O-N 2.74Å
1197	R	90.6	Very high	91.7	Very high	69 Å²	69	36.9 Å²	36.9	26%	0.26	19%	0.187	S	C	.	.	H	α-helix	trans	-58.8	-53.1	173.2	-175.2	-177.3	-68.4	144.4	-5.5	110.8	V1191 S1193 Q1194 K1195 G1199 G1200 D1202	V1191-R1197 HydrophobicContact CB-CB 4.23Å; V1191-R1197 HydrophobicContact CG1-CB 3.96Å; V1191-R1197 PolarHBondContact O-NH2 3.48Å; S1193-R1197 VanDerWaalsContact O-CB 3.3Å; S1193-R1197 WeakPolarHBondContact O-CB 3.12Å; S1193-R1197 PolarHBondContact O-N 3.37Å; Q1194-R1197 PolarHBondContact O-N 3.23Å; K1195-R1197 VanDerWaalsContact C-N 3.31Å; K1195-R1197 PolarHBondContact O-N 2.7Å; R1197-G1199 PolarHBondContact O-N 2.82Å; R1197-G1200 WeakPolarHBondContact O-CA 3.32Å; R1197-G1200 PolarHBondContact O-N 2.97Å; R1197-D1202 HydrophobicContact CG-CB 4.1Å; R1197-D1202 VanDerWaalsContact CG-OD2 3.27Å; R1197-D1202 WeakPolarHBondContact CG-OD2 3.41Å
1198	L	88.2	Confident	91.8	Very high	92 Å²	92	36.9 Å²	36.9	48%	0.482	19%	0.187	S	C	.	.	H	α-helix	trans	-62.1	-30.5	177.6	-67.7	170.7	0	0	0	112.5	H713 Q1194 K1195 G1200	H713-L1198 WeakPolarHBondContact CD2-CB 3.43Å; Q1194-L1198 HydrophobicContact CG-CD1 4.21Å; Q1194-L1198 HydrophobicContact CG-CG 4.47Å; Q1194-L1198 WeakPolarHBondContact O-CB 3.44Å; Q1194-L1198 VanDerWaalsContact O-CG 3.23Å; Q1194-L1198 WeakPolarHBondContact O-CG 3.31Å; Q1194-L1198 PolarHBondContact O-N 3.11Å; K1195-L1198 PolarHBondContact O-N 3Å; L1198-G1200 PolarHBondContact O-N 2.94Å
1199	G	89.1	Confident	91.8	Very high	10 Å²	10	34.6 Å²	34.6	10%	0.103	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-4.2	171.1	0	0	0	0	0	115.4	L790 K1195 A1196 R1197	L790-G1199 WeakPolarHBondContact CD1-O 3.35Å; K1195-G1199 PolarHBondContact O-N 3.36Å; A1196-G1199 CarbonylContact O-C 3.46Å; A1196-G1199 PolarHBondContact O-N 3Å; R1197-G1199 PolarHBondContact O-N 2.82Å
1200	G	91.5	Very high	91.7	Very high	16 Å²	16	35.4 Å²	35.4	17%	0.165	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.9	15.9	175.3	0	0	0	0	0	115.4	A1196 R1197 L1198 D1202 Q1203	A1196-G1200 PolarHBondContact O-N 2.76Å; R1197-G1200 WeakPolarHBondContact O-CA 3.32Å; R1197-G1200 PolarHBondContact O-N 2.97Å; L1198-G1200 PolarHBondContact O-N 2.94Å; G1200-D1202 PolarHBondContact O-N 2.72Å; G1200-Q1203 WeakPolarHBondContact O-CB 3.4Å; G1200-Q1203 PolarHBondContact O-N 3.27Å
1201	L	93.8	Very high	91.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-22	177.9	-172.2	59.8	0	0	0	112.9	W787 L790 L791 E794 V1191 A1196	W787-L1201 HydrophobicContact CE3-CD1 4Å; W787-L1201 HydrophobicContact CZ3-CD1 3.94Å; L790-L1201 HydrophobicContact CB-CB 4.23Å; L790-L1201 HydrophobicContact CB-CD1 4.12Å; L790-L1201 HydrophobicContact CB-CD2 4.43Å; L790-L1201 HydrophobicContact CB-CG 4.49Å; L790-L1201 HydrophobicContact CD1-CB 4.4Å; L791-L1201 HydrophobicContact CD2-CD1 4.16Å; L791-L1201 HydrophobicContact CG-CD1 4.44Å; E794-L1201 HydrophobicContact CB-CD2 3.59Å; E794-L1201 HydrophobicContact CG-CD2 4.05Å; V1191-L1201 HydrophobicContact CG1-CB 4.23Å; V1191-L1201 HydrophobicContact CG1-CD2 3.99Å; V1191-L1201 HydrophobicContact CG1-CG 4.36Å; V1191-L1201 HydrophobicContact CG2-CB 3.95Å; V1191-L1201 HydrophobicContact CG2-CD2 4.26Å; V1191-L1201 HydrophobicContact CG2-CG 3.87Å; A1196-L1201 HydrophobicContact CB-CB 4.07Å; A1196-L1201 HydrophobicContact CB-CD2 3.74Å; A1196-L1201 VanDerWaalsContact O-CB 3.22Å; A1196-L1201 WeakPolarHBondContact O-CB 3.38Å; A1196-L1201 PolarHBondContact O-N 2.74Å
1202	D	93.8	Very high	91.3	Very high	47 Å²	47	32.9 Å²	32.9	25%	0.251	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	4	172.4	69	-21.8	0	0	0	112.4	P1188 P1189 V1191 R1197 G1200 S1204	P1188-D1202 HydrophobicContact CB-CB 4.34Å; P1189-D1202 WeakPolarHBondContact CD-O 3.36Å; V1191-D1202 HydrophobicContact CG2-CB 3.78Å; R1197-D1202 HydrophobicContact CG-CB 4.1Å; R1197-D1202 VanDerWaalsContact CG-OD2 3.27Å; R1197-D1202 WeakPolarHBondContact CG-OD2 3.41Å; G1200-D1202 PolarHBondContact O-N 2.72Å; D1202-S1204 PolarHBondContact O-N 2.99Å
1203	Q	94.8	Very high	90.5	Very high	48 Å²	48	28.3 Å²	28.3	22%	0.224	15%	0.147	C	C	.	.			trans	-77.3	110.7	167.7	-165.1	178.6	28.8	0	0	109.3	W787 G1200 L1208 S1211	W787-Q1203 HydrophobicContact CH2-CB 4.42Å; G1200-Q1203 WeakPolarHBondContact O-CB 3.4Å; G1200-Q1203 PolarHBondContact O-N 3.27Å; Q1203-L1208 HydrophobicContact CG-CB 4.23Å; Q1203-S1211 PolarHBondContact NE2-OG 3.42Å
1204	S	97	Very high	89.6	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.164	C	C	.	.			trans	-68.4	161.9	170.3	71.5	0	0	0	0	111.6	A1148 L1151 D1202 F1206 S1207 L1208	A1148-S1204 WeakPolarHBondContact O-CB 3.23Å; L1151-S1204 WeakPolarHBondContact O-CA 3.27Å; L1151-S1204 VanDerWaalsContact O-CB 3.3Å; L1151-S1204 WeakPolarHBondContact O-CB 3.23Å; D1202-S1204 PolarHBondContact O-N 2.99Å; S1204-F1206 PolarHBondContact O-N 3.19Å; S1204-F1206 PolarHBondContact OG-N 3.02Å; S1204-S1207 PolarHBondContact O-N 2.97Å; S1204-S1207 VanDerWaalsContact O-N 3.16Å; S1204-S1207 PolarHBondContact OG-N 3Å; S1204-S1207 VanDerWaalsContact OG-N 3.11Å; S1204-S1207 PolarHBondContact OG-OG 2.86Å; S1204-L1208 WeakPolarHBondContact O-CB 3.38Å; S1204-L1208 PolarHBondContact O-N 2.82Å
1205	L	97.2	Very high	88.1	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-57.9	-35.6	171.5	179.4	59.7	0	0	0	111.8	I969 F1153 T1156 L1160 F1178 L1180 L1208 L1209	I969-L1205 HydrophobicContact CD1-CD1 4.19Å; I969-L1205 HydrophobicContact CG1-CD1 4.03Å; I969-L1205 HydrophobicContact CG2-CD1 3.93Å; F1153-L1205 HydrophobicContact CD2-CB 4.09Å; F1153-L1205 HydrophobicContact CD2-CD1 3.83Å; F1153-L1205 HydrophobicContact CD2-CG 4.44Å; F1153-L1205 HydrophobicContact CE2-CD1 4.04Å; T1156-L1205 HydrophobicContact CG2-CB 4.09Å; T1156-L1205 WeakPolarHBondContact OG1-CB 3.16Å; T1156-L1205 WeakPolarHBondContact OG1-CD2 3.29Å; L1160-L1205 HydrophobicContact CD1-CD2 3.7Å; F1178-L1205 HydrophobicContact CE2-CD2 4.36Å; L1180-L1205 HydrophobicContact CD1-CB 4.21Å; L1180-L1205 HydrophobicContact CD1-CD2 3.78Å; L1180-L1205 HydrophobicContact CD1-CG 3.71Å; L1180-L1205 HydrophobicContact CD2-CD2 4.48Å; L1205-L1208 HydrophobicContact CD1-CD2 4.34Å; L1205-L1208 PolarHBondContact O-N 3.4Å; L1205-L1209 HydrophobicContact CD1-CD1 3.92Å; L1205-L1209 HydrophobicContact CD1-CD2 4.36Å; L1205-L1209 HydrophobicContact CD1-CG 3.82Å; L1205-L1209 HydrophobicContact CG-CD1 3.95Å; L1205-L1209 HydrophobicContact CG-CG 4.29Å; L1205-L1209 WeakPolarHBondContact O-CB 3.47Å; L1205-L1209 WeakPolarHBondContact O-CG 3.37Å; L1205-L1209 PolarHBondContact O-N 3.5Å
1206	F	96.7	Very high	86.2	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.4	-50.9	176.2	-167.6	-70.4	0	0	0	110.7	L1015 K1017 L1180 P1184 S1204 Q1210	L1015-F1206 HydrophobicContact CB-CE1 4.42Å; L1015-F1206 HydrophobicContact CB-CE2 3.87Å; L1015-F1206 HydrophobicContact CB-CZ 3.81Å; L1015-F1206 HydrophobicContact CD2-CD2 4.22Å; L1015-F1206 HydrophobicContact CD2-CE2 4.4Å; K1017-F1206 HydrophobicContact CB-CZ 4.4Å; K1017-F1206 HydrophobicContact CG-CE1 3.8Å; K1017-F1206 HydrophobicContact CG-CZ 3.55Å; L1180-F1206 HydrophobicContact CB-CD2 3.76Å; L1180-F1206 HydrophobicContact CB-CE2 4.39Å; L1180-F1206 WeakPolarHBondContact O-CE2 2.99Å; P1184-F1206 HydrophobicContact CB-CD1 4.16Å; P1184-F1206 HydrophobicContact CB-CE1 4.31Å; P1184-F1206 HydrophobicContact CG-CD1 4.24Å; P1184-F1206 HydrophobicContact CG-CE1 3.88Å; S1204-F1206 PolarHBondContact O-N 3.19Å; S1204-F1206 PolarHBondContact OG-N 3.02Å; F1206-Q1210 WeakPolarHBondContact O-CB 2.95Å; F1206-Q1210 PolarHBondContact O-N 2.6Å; F1206-Q1210 VanDerWaalsContact O-N 3.1Å
1207	S	94.5	Very high	83.8	Confident	34 Å²	34	44.4 Å²	44.4	24%	0.238	23%	0.226	C	C	.	.	H	α-helix	trans	-69.3	-35.4	179.4	-55.7	0	0	0	0	112.3	S1204 S1211	S1204-S1207 PolarHBondContact O-N 2.97Å; S1204-S1207 VanDerWaalsContact O-N 3.16Å; S1204-S1207 PolarHBondContact OG-N 3Å; S1204-S1207 VanDerWaalsContact OG-N 3.11Å; S1204-S1207 PolarHBondContact OG-OG 2.86Å; S1207-S1211 WeakPolarHBondContact O-CB 3.28Å; S1207-S1211 PolarHBondContact O-N 3Å; S1207-S1211 PolarHBondContact O-OG 3.24Å
1208	L	94.3	Very high	81.1	Confident	12 Å²	12	45.2 Å²	45.2	6%	0.063	24%	0.242	C	C	.	.	H	α-helix	trans	-60.1	-56.9	175.8	179.4	63.8	0	0	0	110.6	F783 I969 F1153 Q1203 S1204 L1205 Q1210 S1211 H1212	F783-L1208 HydrophobicContact CE2-CD2 4.37Å; F783-L1208 HydrophobicContact CZ-CD2 4.37Å; I969-L1208 HydrophobicContact CG2-CD2 4.06Å; F1153-L1208 HydrophobicContact CD2-CD2 4.21Å; F1153-L1208 HydrophobicContact CE2-CD2 4.5Å; F1153-L1208 HydrophobicContact CG-CD2 4.45Å; Q1203-L1208 HydrophobicContact CG-CB 4.23Å; S1204-L1208 WeakPolarHBondContact O-CB 3.38Å; S1204-L1208 PolarHBondContact O-N 2.82Å; L1205-L1208 HydrophobicContact CD1-CD2 4.34Å; L1205-L1208 PolarHBondContact O-N 3.4Å; L1208-Q1210 VanDerWaalsContact C-N 3.3Å; L1208-Q1210 PolarHBondContact O-N 3.14Å; L1208-S1211 PolarHBondContact O-N 3.15Å; L1208-S1211 PolarHBondContact O-OG 2.76Å; L1208-H1212 PolarHBondContact O-CD2 3.15Å; L1208-H1212 VanDerWaalsContact O-CD2 3.25Å; L1208-H1212 PolarHBondContact O-N 3.46Å
1209	L	93.9	Very high	78.4	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.9	-40.2	179.3	-68.4	174.3	0	0	0	111.8	L968 Y1013 L1015 F1178 L1180 L1205 S1211 H1213	L968-L1209 WeakPolarHBondContact O-CD2 3.11Å; Y1013-L1209 HydrophobicContact CD2-CD1 4.02Å; Y1013-L1209 HydrophobicContact CE1-CD2 4.49Å; Y1013-L1209 HydrophobicContact CE2-CB 4.37Å; Y1013-L1209 HydrophobicContact CE2-CD1 3.94Å; Y1013-L1209 HydrophobicContact CG-CD1 4.46Å; L1015-L1209 HydrophobicContact CD1-CB 4.07Å; L1015-L1209 HydrophobicContact CD2-CD1 4.13Å; F1178-L1209 HydrophobicContact CE2-CD1 3.92Å; F1178-L1209 HydrophobicContact CZ-CD1 4.2Å; L1180-L1209 HydrophobicContact CD1-CD1 4.02Å; L1205-L1209 HydrophobicContact CD1-CD1 3.92Å; L1205-L1209 HydrophobicContact CD1-CD2 4.36Å; L1205-L1209 HydrophobicContact CD1-CG 3.82Å; L1205-L1209 HydrophobicContact CG-CD1 3.95Å; L1205-L1209 HydrophobicContact CG-CG 4.29Å; L1205-L1209 WeakPolarHBondContact O-CB 3.47Å; L1205-L1209 WeakPolarHBondContact O-CG 3.37Å; L1205-L1209 PolarHBondContact O-N 3.5Å; L1209-S1211 VanDerWaalsContact C-N 3.33Å; L1209-S1211 PolarHBondContact O-N 2.91Å; L1209-H1213 PolarHBondContact O-CD2 2.9Å
1210	Q	90.4	Very high	75.6	Confident	21 Å²	21	53 Å²	53	10%	0.098	29%	0.288	C	S	.	.	H	α-helix	trans	-61.7	-40.7	175.3	-171.3	-178.1	-32.6	0	0	112.3	L1015 K1017 F1206 L1208 H1213 D1214	L1015-Q1210 HydrophobicContact CD1-CB 4.37Å; K1017-Q1210 VanDerWaalsContact NZ-NE2 3.19Å; F1206-Q1210 WeakPolarHBondContact O-CB 2.95Å; F1206-Q1210 PolarHBondContact O-N 2.6Å; F1206-Q1210 VanDerWaalsContact O-N 3.1Å; L1208-Q1210 VanDerWaalsContact C-N 3.3Å; L1208-Q1210 PolarHBondContact O-N 3.14Å; Q1210-H1213 PolarHBondContact O-N 2.63Å; Q1210-D1214 PolarHBondContact NE2-OD2 3.05Å; Q1210-D1214 PolarHBondContact O-N 3.13Å
1211	S	87.1	Confident	72.6	Confident	31 Å²	31	57.5 Å²	57.5	22%	0.217	31%	0.313	C	S	.	.	H	α-helix	trans	-70.2	-29.7	-176.4	73.8	0	0	0	0	114.7	Q1203 S1207 L1208 L1209 H1213 D1214	Q1203-S1211 PolarHBondContact NE2-OG 3.42Å; S1207-S1211 WeakPolarHBondContact O-CB 3.28Å; S1207-S1211 PolarHBondContact O-N 3Å; S1207-S1211 PolarHBondContact O-OG 3.24Å; L1208-S1211 PolarHBondContact O-N 3.15Å; L1208-S1211 PolarHBondContact O-OG 2.76Å; L1209-S1211 VanDerWaalsContact C-N 3.33Å; L1209-S1211 PolarHBondContact O-N 2.91Å; S1211-H1213 PolarHBondContact O-N 3.36Å; S1211-D1214 PolarHBondContact O-N 3.44Å
1212	H	82	Confident	69.4	Low	39 Å²	39	63.2 Å²	63.2	18%	0.181	35%	0.348	C	S	.	.	H	α-helix	trans	-55.6	-41.3	175	-84.2	-81.7	0	0	0	110.9	L1208	L1208-H1212 PolarHBondContact O-CD2 3.15Å; L1208-H1212 VanDerWaalsContact O-CD2 3.25Å; L1208-H1212 PolarHBondContact O-N 3.46Å
1213	H	71.3	Confident	66.4	Low	9 Å²	9	69 Å²	69	4%	0.042	38%	0.378	C	S	.	.	H	α-helix	trans	-94.8	-14.9	-172.7	-56	-59.8	0	0	0	114.3	G972 I974 Y1013 L1209 Q1210 S1211 R1215 K1231 Y1233	G972-H1213 PolarHBondContact O-CE1 3.01Å; G972-H1213 VanDerWaalsContact O-CE1 3.24Å; I974-H1213 WeakPolarHBondContact CG1-CE1 3.25Å; Y1013-H1213 PolarHBondContact OH-NE2 2.81Å; Y1013-H1213 VanDerWaalsContact OH-NE2 3.13Å; L1209-H1213 PolarHBondContact O-CD2 2.9Å; Q1210-H1213 PolarHBondContact O-N 2.63Å; S1211-H1213 PolarHBondContact O-N 3.36Å; H1213-R1215 VanDerWaalsContact C-N 3.29Å; H1213-K1231 WeakPolarHBondContact O-CE 3.32Å; H1213-K1231 PolarHBondContact O-NZ 3.07Å; H1213-Y1233 HydrophobicContact CB-CE1 4.48Å; H1213-Y1233 WeakPolarHBondContact CB-OH 3.27Å; H1213-Y1233 AromaticContact CD2-CE1 3.9Å; H1213-Y1233 AromaticContact CD2-CE2 3.44Å; H1213-Y1233 VanDerWaalsContact CD2-CE2 3.44Å; H1213-Y1233 WeakPolarHBondContact CD2-CE2 3.47Å; H1213-Y1233 AromaticContact CD2-CZ 3.19Å; H1213-Y1233 PolarHBondContact CD2-OH 2.87Å; H1213-Y1233 AromaticContact CG-CZ 3.5Å; H1213-Y1233 AromaticContact NE2-CZ 3.95Å
1214	D	69.5	Low	63.4	Low	69 Å²	69	70.1 Å²	70.1	37%	0.369	39%	0.392	S	S	.	.	H	α-helix	trans	-77.6	-18.2	172.9	-73.8	-13.5	0	0	0	111.7	Q1210 S1211 N1217 K1231	Q1210-D1214 PolarHBondContact NE2-OD2 3.05Å; Q1210-D1214 PolarHBondContact O-N 3.13Å; S1211-D1214 PolarHBondContact O-N 3.44Å; D1214-N1217 PolarHBondContact O-ND2 3.26Å; D1214-N1217 VanDerWaalsContact O-ND2 3.15Å; D1214-K1231 IonicContact OD1-NZ 3.93Å; D1214-K1231 PolarHBondContact OD1-NZ 2.83Å
1215	R	55	Low	60.6	Low	175 Å²	175	76.8 Å²	76.8	66%	0.66	44%	0.438	S	S	*	.	S	Bend	trans	-80.1	-26.5	176	-76.2	-172	-73.6	-167.2	-0.8	114	H1213 N1217	H1213-R1215 VanDerWaalsContact C-N 3.29Å; R1215-N1217 PolarHBondContact O-N 3.22Å
1216	D	48	Very low	57.4	Low	123 Å²	123	81.5 Å²	81.5	66%	0.658	46%	0.462	S	S	*	.			trans	-74.5	55.5	171.9	-69.8	-21.6	0	0	0	111.2	S1218	D1216-S1218 PolarHBondContact O-N 3.1Å
1217	N	42.3	Very low	54.7	Low	136 Å²	136	85.4 Å²	85.4	73%	0.727	48%	0.483	S	S	*	.			trans	-83.5	57.3	158.4	-70.7	-44.1	0	0	0	108.5	D1214 R1215 P1219	D1214-N1217 PolarHBondContact O-ND2 3.26Å; D1214-N1217 VanDerWaalsContact O-ND2 3.15Å; R1215-N1217 PolarHBondContact O-N 3.22Å; N1217-P1219 WeakPolarHBondContact O-CD 3.35Å
1218	S	33.2	Very low	52.2	Low	87 Å²	87	88.2 Å²	88.2	61%	0.608	49%	0.494	S	S	*	.			trans	-56.9	125.7	155.2	-178.8	0	0	0	0	106.1	D1216 L1220	D1216-S1218 PolarHBondContact O-N 3.1Å; S1218-L1220 PolarHBondContact O-N 3.23Å
1219	P	31.6	Very low	49.5	Very low	122 Å²	122	91 Å²	91	79%	0.792	51%	0.514	S	S	*	.			trans	-71.2	76.7	-177.9	29.7	-33.1	0	0	0	109.5	N1217 T1221	N1217-P1219 WeakPolarHBondContact O-CD 3.35Å; P1219-T1221 VanDerWaalsContact C-N 3.25Å; P1219-T1221 PolarHBondContact O-N 3.17Å
1220	L	30.9	Very low	47.3	Very low	142 Å²	142	98.5 Å²	98.5	74%	0.743	55%	0.547	S	S	*	.			trans	-71.4	91	158.5	-82.2	146.5	0	0	0	106.8	S1218	S1218-L1220 PolarHBondContact O-N 3.23Å
1221	T	27.3	Very low	45.9	Very low	112 Å²	112	99.8 Å²	99.8	69%	0.687	55%	0.553	S	S	*	*	S	Bend	trans	25	110.2	152.9	54.4	0	0	0	0	117.3	P1219	P1219-T1221 VanDerWaalsContact C-N 3.25Å; P1219-T1221 PolarHBondContact O-N 3.17Å
1222	T	27.5	Very low	45.4	Very low	120 Å²	120	99.5 Å²	99.5	74%	0.736	56%	0.555	S	S	*	*	S	Bend	trans	64.6	109	141.3	62.2	0	0	0	0	119.4
1223	N	29.8	Very low	45.6	Very low	167 Å²	167	97.9 Å²	97.9	89%	0.893	55%	0.547	S	S	*	.			trans	51	71.4	134.1	-57.6	-12.4	0	0	0	118.5
1224	S	32.2	Very low	46.6	Very low	73 Å²	73	98.5 Å²	98.5	51%	0.51	55%	0.551	S	S	.	*			trans	-151.2	134.3	141.1	76.6	0	0	0	0	110.7	M1226	S1224-M1226 PolarHBondContact O-N 3.4Å
1225	S	38.1	Very low	47.7	Very low	140 Å²	140	95.7 Å²	95.7	98%	0.979	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	25.4	174.7	44.9	0	0	0	0	113.5
1226	M	30.5	Very low	49.6	Very low	100 Å²	100	89 Å²	89	49%	0.493	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.8	19.9	-165.9	-156.9	168.1	160.4	0	0	112.4	N241 S1224 S1229	N241-M1226 HydrophobicContact CB-CE 4.38Å; N241-M1226 WeakPolarHBondContact ND2-CE 3.36Å; N241-M1226 PolarHBondContact ND2-SD 2.8Å; N241-M1226 VanDerWaalsContact ND2-SD 3.42Å; N241-M1226 WeakPolarHBondContact OD1-CE 3.38Å; S1224-M1226 PolarHBondContact O-N 3.4Å; M1226-S1229 PolarHBondContact O-OG 3.18Å
1227	D	40.4	Very low	51.8	Low	82 Å²	82	83.1 Å²	83.1	44%	0.439	48%	0.482	S	S	.	.	G	3₁₀ helix	trans	-91.9	-5.4	-165.3	-127.2	5.9	0	0	0	115.9	K1230	D1227-K1230 VanDerWaalsContact OD1-CD 3.23Å; D1227-K1230 WeakPolarHBondContact OD1-CD 3.26Å; D1227-K1230 WeakPolarHBondContact OD1-CE 3.48Å; D1227-K1230 IonicContact OD1-NZ 3.32Å; D1227-K1230 PolarHBondContact OD1-NZ 2.93Å
1228	L	40.1	Very low	54.4	Low	92 Å²	92	78 Å²	78	48%	0.482	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-78.6	-21.8	178.5	-92.5	96.4	0	0	0	114.2	K1230 K1231	L1228-K1230 PolarHBondContact O-N 2.84Å; L1228-K1231 PolarHBondContact O-N 3.25Å
1229	S	38.3	Very low	57.3	Low	70 Å²	70	75.3 Å²	75.3	49%	0.49	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-67.8	-12.7	176.5	57	0	0	0	0	113.2	M1226 K1231	M1226-S1229 PolarHBondContact O-OG 3.18Å; S1229-K1231 VanDerWaalsContact C-N 3.28Å; S1229-K1231 PolarHBondContact O-N 3.33Å
1230	K	47	Very low	60.4	Low	158 Å²	158	69.5 Å²	69.5	69%	0.687	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-71.3	-16.4	175.1	-72.4	-176.2	-178.7	159.6	0	114.1	D1227 L1228 G1232	D1227-K1230 VanDerWaalsContact OD1-CD 3.23Å; D1227-K1230 WeakPolarHBondContact OD1-CD 3.26Å; D1227-K1230 WeakPolarHBondContact OD1-CE 3.48Å; D1227-K1230 IonicContact OD1-NZ 3.32Å; D1227-K1230 PolarHBondContact OD1-NZ 2.93Å; L1228-K1230 PolarHBondContact O-N 2.84Å; K1230-G1232 PolarHBondContact O-N 2.87Å
1231	K	62.1	Low	63.4	Low	49 Å²	49	67.7 Å²	67.7	21%	0.213	38%	0.38	C	S	.	.			trans	-93.2	84.4	-178.5	-73.1	169.3	167.9	-170.8	0	110.3	H1213 D1214 L1228 S1229 Y1233 V1234	H1213-K1231 WeakPolarHBondContact O-CE 3.32Å; H1213-K1231 PolarHBondContact O-NZ 3.07Å; D1214-K1231 IonicContact OD1-NZ 3.93Å; D1214-K1231 PolarHBondContact OD1-NZ 2.83Å; L1228-K1231 PolarHBondContact O-N 3.25Å; S1229-K1231 VanDerWaalsContact C-N 3.28Å; S1229-K1231 PolarHBondContact O-N 3.33Å; K1231-Y1233 HydrophobicContact CB-CD1 4.19Å; K1231-Y1233 HydrophobicContact CB-CE1 3.58Å; K1231-Y1233 HydrophobicContact CD-CE1 4.38Å; K1231-Y1233 WeakPolarHBondContact CD-OH 3.28Å; K1231-Y1233 HydrophobicContact CG-CE1 3.79Å; K1231-Y1233 PolarHBondContact O-N 3.36Å; K1231-V1234 PolarHBondContact O-N 2.88Å
1232	G	76.1	Confident	66.6	Low	25 Å²	25	64.6 Å²	64.6	26%	0.258	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-6.2	-176.5	0	0	0	0	0	117	M977 K1230	M977-G1232 WeakPolarHBondContact CE-O 3.39Å; K1230-G1232 PolarHBondContact O-N 2.87Å
1233	Y	86.6	Confident	69.9	Low	4 Å²	4	59 Å²	59	2%	0.016	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-2.2	178.7	67	-89.4	0	0	0	114.5	I974 P975 Y1013 I1014 L1015 H1213 K1231	I974-Y1233 HydrophobicContact CG2-CD1 4.01Å; I974-Y1233 HydrophobicContact CG2-CE1 4.47Å; P975-Y1233 HydrophobicContact CG-CG 4.22Å; Y1013-Y1233 AromaticContact CE2-CD2 3.74Å; Y1013-Y1233 HydrophobicContact CE2-CD2 3.74Å; Y1013-Y1233 HydrophobicContact CE2-CG 4.26Å; I1014-Y1233 WeakPolarHBondContact CA-O 3.42Å; I1014-Y1233 VanDerWaalsContact CD1-C 3.48Å; I1014-Y1233 WeakPolarHBondContact CD1-O 3.45Å; L1015-Y1233 HydrophobicContact CD1-CD2 4.33Å; L1015-Y1233 HydrophobicContact CD1-CE2 4.34Å; L1015-Y1233 HydrophobicContact CG-CD2 4.48Å; L1015-Y1233 PolarHBondContact N-O 2.74Å; H1213-Y1233 HydrophobicContact CB-CE1 4.48Å; H1213-Y1233 WeakPolarHBondContact CB-OH 3.27Å; H1213-Y1233 AromaticContact CD2-CE1 3.9Å; H1213-Y1233 AromaticContact CD2-CE2 3.44Å; H1213-Y1233 VanDerWaalsContact CD2-CE2 3.44Å; H1213-Y1233 WeakPolarHBondContact CD2-CE2 3.47Å; H1213-Y1233 AromaticContact CD2-CZ 3.19Å; H1213-Y1233 PolarHBondContact CD2-OH 2.87Å; H1213-Y1233 AromaticContact CG-CZ 3.5Å; H1213-Y1233 AromaticContact NE2-CZ 3.95Å; K1231-Y1233 HydrophobicContact CB-CD1 4.19Å; K1231-Y1233 HydrophobicContact CB-CE1 3.58Å; K1231-Y1233 HydrophobicContact CD-CE1 4.38Å; K1231-Y1233 WeakPolarHBondContact CD-OH 3.28Å; K1231-Y1233 HydrophobicContact CG-CE1 3.79Å; K1231-Y1233 PolarHBondContact O-N 3.36Å
1234	V	92.2	Very high	73.1	Confident	23 Å²	23	51 Å²	51	14%	0.139	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	136.4	176.7	-170.2	0	0	0	0	110.8	L1015 K1017 K1231	L1015-V1234 HydrophobicContact CB-CG1 4.33Å; L1015-V1234 HydrophobicContact CB-CG2 4.24Å; L1015-V1234 HydrophobicContact CD1-CG2 4.13Å; L1015-V1234 HydrophobicContact CG-CG2 4.5Å; L1015-V1234 WeakPolarHBondContact O-CA 3.19Å; K1017-V1234 HydrophobicContact CD-CG1 4.24Å; K1017-V1234 HydrophobicContact CG-CG1 4.22Å; K1231-V1234 PolarHBondContact O-N 2.88Å
1235	T	93	Very high	76.1	Confident	9 Å²	9	49.2 Å²	49.2	6%	0.055	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	144.1	174.4	-159.1	0	0	0	0	110.6	A1003 Q1006 L1015 I1016 K1017	A1003-T1235 HydrophobicContact CB-CG2 3.49Å; A1003-T1235 VanDerWaalsContact CB-CG2 3.49Å; Q1006-T1235 PolarHBondContact OE1-OG1 3.13Å; L1015-T1235 PolarHBondContact O-N 2.83Å; I1016-T1235 HydrophobicContact CB-CG2 3.95Å; I1016-T1235 HydrophobicContact CD1-CG2 4.49Å; I1016-T1235 HydrophobicContact CG1-CG2 3.67Å; I1016-T1235 HydrophobicContact CG2-CG2 3.92Å; K1017-T1235 PolarHBondContact N-O 3.5Å
1236	E	93.8	Very high	78.9	Confident	34 Å²	34	45.7 Å²	45.7	16%	0.159	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	125.9	-176.9	-51.6	-165.7	161.4	0	0	110.9	K1017 Y1019 T1238 K1259	K1017-E1236 HydrophobicContact CB-CB 4.44Å; K1017-E1236 HydrophobicContact CB-CG 4.2Å; K1017-E1236 HydrophobicContact CD-CG 4.02Å; K1017-E1236 IonicContact NZ-OE1 2.8Å; K1017-E1236 PolarHBondContact NZ-OE1 3.48Å; Y1019-E1236 PolarHBondContact OH-OE2 2.96Å; E1236-T1238 HydrophobicContact CB-CG2 4.07Å; E1236-T1238 PolarHBondContact O-N 3.42Å; E1236-K1259 IonicContact OE1-NZ 2.79Å; E1236-K1259 PolarHBondContact OE1-NZ 3.33Å; E1236-K1259 WeakPolarHBondContact OE2-CD 3.19Å; E1236-K1259 IonicContact OE2-NZ 3.82Å; E1236-K1259 PolarHBondContact OE2-NZ 3.41Å
1237	L	95.6	Very high	82	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	87.3	173.8	-53.1	179.1	0	0	0	109.6	N999 Q1000 A1003 I1016 K1017 S1022 K1024 T1027	N999-L1237 HydrophobicContact CB-CD2 4.18Å; Q1000-L1237 HydrophobicContact CG-CD2 4.23Å; A1003-L1237 HydrophobicContact CB-CD2 3.95Å; I1016-L1237 HydrophobicContact CG2-CD1 3.93Å; I1016-L1237 HydrophobicContact CG2-CG 4.03Å; K1017-L1237 PolarHBondContact O-N 3.38Å; S1022-L1237 WeakPolarHBondContact CB-O 3.5Å; K1024-L1237 HydrophobicContact CG-CD1 4.36Å; T1027-L1237 HydrophobicContact CG2-CD1 4.41Å; T1027-L1237 HydrophobicContact CG2-CD2 4.48Å
1238	T	95.1	Very high	84.7	Confident	29 Å²	29	37.9 Å²	37.9	18%	0.178	19%	0.193	C	C	.	.			trans	-86.1	-19.7	-173.3	64.3	0	0	0	0	116	N999 Y1019 E1236 K1259 M1260 S1261	N999-T1238 PolarHBondContact ND2-N 3.22Å; N999-T1238 PolarHBondContact ND2-OG1 2.95Å; Y1019-T1238 HydrophobicContact CE2-CG2 3.98Å; E1236-T1238 HydrophobicContact CB-CG2 4.07Å; E1236-T1238 PolarHBondContact O-N 3.42Å; T1238-K1259 VanDerWaalsContact CB-O 3.27Å; T1238-K1259 WeakPolarHBondContact CB-O 3.42Å; T1238-K1259 HydrophobicContact CG2-CB 4.34Å; T1238-M1260 WeakPolarHBondContact O-CA 3.35Å; T1238-S1261 PolarHBondContact O-N 3.39Å
1239	I	96	Very high	87.4	Confident	30 Å²	30	34.9 Å²	34.9	15%	0.154	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	121.6	-179.3	-64.9	165.4	0	0	0	109.7	N997 N999 S1022 Y1241 S1261 A1263	N997-I1239 HydrophobicContact CB-CD1 4.1Å; N999-I1239 PolarHBondContact ND2-N 3.47Å; S1022-I1239 VanDerWaalsContact CA-O 3.28Å; S1022-I1239 WeakPolarHBondContact CA-O 3.34Å; I1239-Y1241 HydrophobicContact CG2-CE2 4.13Å; I1239-S1261 WeakPolarHBondContact CA-O 3.45Å; I1239-A1263 HydrophobicContact CG2-CB 3.5Å
1240	Q	95.1	Very high	90.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	150	-176.5	73.4	78.7	30.8	0	0	114.2	P1020 G1021 M1243 M1248 M1260 S1261 C1262 A1263	P1020-Q1240 WeakPolarHBondContact O-CB 3.31Å; G1021-Q1240 WeakPolarHBondContact O-CA 3.46Å; Q1240-M1243 HydrophobicContact CG-CE 4.38Å; Q1240-M1243 PolarHBondContact NE2-O 3.49Å; Q1240-M1248 HydrophobicContact CG-CG 4.34Å; Q1240-M1248 HydrophobicContact CG-SD 3.81Å; Q1240-M1248 PolarHBondContact NE2-SD 3.28Å; Q1240-M1260 HydrophobicContact CB-CG 4.21Å; Q1240-M1260 HydrophobicContact CB-SD 4.17Å; Q1240-M1260 HydrophobicContact CG-CG 3.75Å; Q1240-M1260 HydrophobicContact CG-SD 3.82Å; Q1240-S1261 PolarHBondContact N-O 2.77Å; Q1240-C1262 PolarHBondContact NE2-SG 3.01Å; Q1240-A1263 WeakPolarHBondContact O-CB 3.29Å; Q1240-A1263 PolarHBondContact O-N 3.38Å
1241	Y	94.8	Very high	92.3	Very high	103 Å²	103	24 Å²	24	40%	0.404	13%	0.125	S	C	.	.	S	Bend	trans	-119.9	11	-172.2	-60.1	-94.3	0	0	0	114.8	N997 G1021 I1239 A1263 I1267	N997-Y1241 PolarHBondContact ND2-OH 3.26Å; G1021-Y1241 WeakPolarHBondContact O-CD2 3.41Å; G1021-Y1241 PolarHBondContact O-N 3.29Å; I1239-Y1241 HydrophobicContact CG2-CE2 4.13Å; Y1241-A1263 HydrophobicContact CD1-CB 3.42Å; Y1241-A1263 VanDerWaalsContact CD1-CB 3.42Å; Y1241-A1263 HydrophobicContact CD2-CB 4.43Å; Y1241-A1263 HydrophobicContact CE1-CB 3.22Å; Y1241-A1263 HydrophobicContact CE2-CB 4.28Å; Y1241-A1263 HydrophobicContact CG-CB 4.04Å; Y1241-I1267 HydrophobicContact CD1-CD1 3.82Å; Y1241-I1267 HydrophobicContact CG-CD1 4.31Å
1242	R	94	Very high	93.9	Very high	48 Å²	48	22.2 Å²	22.2	18%	0.181	12%	0.118	C	C	.	.	S	Bend	trans	-108.5	-55.4	-170.7	179.9	-172.5	-77.9	169.3	-5.3	113.4	D1389 T1432 Q1435	R1242-D1389 IonicContact CZ-OD1 3.83Å; R1242-D1389 VanDerWaalsContact CZ-OD1 3.3Å; R1242-D1389 IonicContact NE-OD1 2.75Å; R1242-D1389 PolarHBondContact NE-OD1 2.79Å; R1242-D1389 IonicContact NE-OD2 3.43Å; R1242-D1389 IonicContact NH2-OD1 3.4Å; R1242-D1389 PolarHBondContact NH2-OD1 3.43Å; R1242-T1432 WeakPolarHBondContact CD-O 3.4Å; R1242-T1432 PolarHBondContact NH1-O 3.49Å; R1242-Q1435 HydrophobicContact CG-CG 3.82Å; R1242-Q1435 WeakPolarHBondContact O-CA 3.33Å; R1242-Q1435 WeakPolarHBondContact O-CB 3.21Å
1243	M	96.4	Very high	94.7	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	13%	0.125	C	C	.	.	S	Bend	trans	-97.1	144.1	-167.4	-65.5	165.9	-70.6	0	0	110.5	P1020 Q1240 I1247 M1248 M1260 I1267 T1432 A1434	P1020-M1243 HydrophobicContact CB-CE 4.09Å; Q1240-M1243 HydrophobicContact CG-CE 4.38Å; Q1240-M1243 PolarHBondContact NE2-O 3.49Å; M1243-I1247 HydrophobicContact CB-CB 4.34Å; M1243-I1247 HydrophobicContact CB-CG2 4.15Å; M1243-I1247 HydrophobicContact CG-CG2 3.96Å; M1243-I1247 HydrophobicContact SD-CG2 4.2Å; M1243-M1248 HydrophobicContact CB-CB 4.06Å; M1243-M1260 HydrophobicContact CE-CE 4.09Å; M1243-M1260 HydrophobicContact CE-SD 3.97Å; M1243-I1267 WeakPolarHBondContact O-CG2 3.37Å; M1243-T1432 HydrophobicContact CE-CG2 4.37Å; M1243-T1432 HydrophobicContact SD-CG2 3.94Å; M1243-A1434 WeakPolarHBondContact CG-O 3.37Å
1244	N	97.2	Very high	95	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	13%	0.132	C	C	.	.			trans	-69.9	172	166.3	74.8	25.5	0	0	0	112.5	K1246 I1247 M1248 I1267 A1270 I1299 S1302 Q1435 H1436	N1244-K1246 VanDerWaalsContact C-N 3.34Å; N1244-K1246 PolarHBondContact O-N 3.29Å; N1244-K1246 PolarHBondContact OD1-N 2.71Å; N1244-I1247 PolarHBondContact O-N 3.41Å; N1244-I1247 WeakPolarHBondContact OD1-CG1 3.49Å; N1244-I1247 PolarHBondContact OD1-N 2.93Å; N1244-M1248 WeakPolarHBondContact O-CB 3.41Å; N1244-M1248 PolarHBondContact O-N 3.38Å; N1244-I1267 VanDerWaalsContact CA-O 3.26Å; N1244-I1267 WeakPolarHBondContact CA-O 3.32Å; N1244-I1267 WeakPolarHBondContact CB-O 3.33Å; N1244-A1270 WeakPolarHBondContact CB-O 3.04Å; N1244-A1270 PolarHBondContact ND2-O 2.85Å; N1244-I1299 HydrophobicContact CB-CD1 3.99Å; N1244-S1302 WeakPolarHBondContact ND2-CB 3.47Å; N1244-S1302 PolarHBondContact ND2-OG 3.5Å; N1244-Q1435 PolarHBondContact N-O 2.96Å; N1244-Q1435 VanDerWaalsContact N-O 3.08Å; N1244-H1436 PolarHBondContact ND2-O 3.16Å
1245	S	96.4	Very high	94.9	Very high	35 Å²	35	26 Å²	26	25%	0.245	13%	0.128	C	C	.	.	H	α-helix	trans	-59.2	-39.9	-173.5	53.9	0	0	0	0	113.7	A1249 S1268	S1245-A1249 WeakPolarHBondContact O-CB 3.24Å; S1245-A1249 PolarHBondContact O-N 3.35Å; S1245-A1249 VanDerWaalsContact O-N 3.08Å; S1245-S1268 WeakPolarHBondContact CB-O 3.42Å; S1245-S1268 PolarHBondContact N-O 3.14Å; S1245-S1268 PolarHBondContact OG-O 2.84Å
1246	K	95.9	Very high	94.8	Very high	65 Å²	65	25.7 Å²	25.7	28%	0.283	13%	0.126	S	C	.	.	H	α-helix	trans	-73.6	-40.7	-177.3	-67.1	-66.3	-174.3	171.9	0	112.6	N1244 I1299 V1303	N1244-K1246 VanDerWaalsContact C-N 3.34Å; N1244-K1246 PolarHBondContact O-N 3.29Å; N1244-K1246 PolarHBondContact OD1-N 2.71Å; K1246-I1299 HydrophobicContact CG-CG1 4.21Å; K1246-I1299 WeakPolarHBondContact CG-O 3.46Å; K1246-V1303 HydrophobicContact CB-CG2 4.37Å
1247	I	96.8	Very high	94.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-68.5	-47.3	175.7	-65.4	167.7	0	0	0	110.2	M1243 N1244 A1249 L1250 V1303 A1434 H1436 L1438	M1243-I1247 HydrophobicContact CB-CB 4.34Å; M1243-I1247 HydrophobicContact CB-CG2 4.15Å; M1243-I1247 HydrophobicContact CG-CG2 3.96Å; M1243-I1247 HydrophobicContact SD-CG2 4.2Å; N1244-I1247 PolarHBondContact O-N 3.41Å; N1244-I1247 WeakPolarHBondContact OD1-CG1 3.49Å; N1244-I1247 PolarHBondContact OD1-N 2.93Å; I1247-A1249 VanDerWaalsContact C-N 3.25Å; I1247-A1249 PolarHBondContact O-N 3Å; I1247-L1250 WeakPolarHBondContact O-CB 3.44Å; I1247-L1250 PolarHBondContact O-N 3.42Å; I1247-V1303 HydrophobicContact CB-CG2 4.33Å; I1247-V1303 HydrophobicContact CG1-CG2 3.64Å; I1247-A1434 HydrophobicContact CD1-CB 4Å; I1247-A1434 HydrophobicContact CG2-CB 4.22Å; I1247-H1436 VanDerWaalsContact CD1-C 3.45Å; I1247-L1438 HydrophobicContact CD1-CB 4.41Å; I1247-L1438 HydrophobicContact CG1-CB 4.27Å
1248	M	96.6	Very high	94.5	Very high	19 Å²	19	37.2 Å²	37.2	9%	0.094	18%	0.181	C	C	.	.	H	α-helix	trans	-56.5	-40.5	178.8	-176.9	-168.8	72	0	0	111.9	Q1240 M1243 N1244 L1250 S1251 N1252 M1260	Q1240-M1248 HydrophobicContact CG-CG 4.34Å; Q1240-M1248 HydrophobicContact CG-SD 3.81Å; Q1240-M1248 PolarHBondContact NE2-SD 3.28Å; M1243-M1248 HydrophobicContact CB-CB 4.06Å; N1244-M1248 WeakPolarHBondContact O-CB 3.41Å; N1244-M1248 PolarHBondContact O-N 3.38Å; M1248-L1250 PolarHBondContact O-N 3.33Å; M1248-L1250 VanDerWaalsContact O-N 3.14Å; M1248-S1251 PolarHBondContact O-N 2.88Å; M1248-N1252 WeakPolarHBondContact O-CB 3.47Å; M1248-N1252 PolarHBondContact O-N 2.81Å; M1248-M1260 HydrophobicContact CG-CE 3.4Å; M1248-M1260 VanDerWaalsContact CG-CE 3.4Å; M1248-M1260 HydrophobicContact CG-CG 4.18Å; M1248-M1260 HydrophobicContact CG-SD 4.12Å; M1248-M1260 HydrophobicContact SD-CE 4.46Å; M1248-M1260 HydrophobicContact SD-CG 4.01Å
1249	A	96.2	Very high	94.4	Very high	28 Å²	28	39.3 Å²	39.3	23%	0.231	19%	0.188	C	C	.	.	H	α-helix	trans	-55	-31.9	-178.6	0	0	0	0	0	113.2	S1245 I1247 H1253 F1466	S1245-A1249 WeakPolarHBondContact O-CB 3.24Å; S1245-A1249 PolarHBondContact O-N 3.35Å; S1245-A1249 VanDerWaalsContact O-N 3.08Å; I1247-A1249 VanDerWaalsContact C-N 3.25Å; I1247-A1249 PolarHBondContact O-N 3Å; A1249-H1253 VanDerWaalsContact O-CB 3.23Å; A1249-H1253 WeakPolarHBondContact O-CB 3.14Å; A1249-H1253 PolarHBondContact O-N 3.3Å; A1249-F1466 HydrophobicContact CB-CE1 4.21Å; A1249-F1466 HydrophobicContact CB-CZ 4.29Å
1250	L	95.3	Very high	94.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.2	-65	179.8	-61.6	177.6	0	0	0	112	I1247 M1248 N1252 H1253 L1254 V1303 L1431 L1438 L1463 F1466 I1467 I1471	I1247-L1250 WeakPolarHBondContact O-CB 3.44Å; I1247-L1250 PolarHBondContact O-N 3.42Å; M1248-L1250 PolarHBondContact O-N 3.33Å; M1248-L1250 VanDerWaalsContact O-N 3.14Å; L1250-N1252 VanDerWaalsContact C-N 3.27Å; L1250-N1252 PolarHBondContact O-N 3Å; L1250-H1253 PolarHBondContact O-N 3.41Å; L1250-L1254 WeakPolarHBondContact O-CB 3.18Å; L1250-L1254 VanDerWaalsContact O-CG 3.29Å; L1250-L1254 WeakPolarHBondContact O-CG 3.45Å; L1250-L1254 PolarHBondContact O-N 2.93Å; L1250-L1254 VanDerWaalsContact O-N 3.09Å; L1250-V1303 HydrophobicContact CD1-CG1 3.89Å; L1250-V1303 HydrophobicContact CD1-CG2 4Å; L1250-V1303 HydrophobicContact CD2-CG1 4.44Å; L1250-L1431 HydrophobicContact CB-CD1 4.17Å; L1250-L1431 HydrophobicContact CD1-CD2 4.01Å; L1250-L1438 HydrophobicContact CD1-CD2 3.69Å; L1250-L1463 HydrophobicContact CB-CD1 4.34Å; L1250-L1463 HydrophobicContact CD1-CD1 4.49Å; L1250-L1463 HydrophobicContact CD2-CD1 3.73Å; L1250-L1463 HydrophobicContact CG-CD1 4.44Å; L1250-F1466 HydrophobicContact CD2-CD1 3.92Å; L1250-F1466 HydrophobicContact CD2-CE1 4.19Å; L1250-I1467 HydrophobicContact CD2-CD1 4.28Å; L1250-I1467 HydrophobicContact CD2-CG1 3.71Å; L1250-I1471 HydrophobicContact CD2-CD1 3.22Å; L1250-I1471 HydrophobicContact CG-CD1 3.92Å
1251	S	93.8	Very high	94.3	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.007	20%	0.199	C	C	.	.	H	α-helix	trans	-69.1	-30.3	-178.9	58.9	0	0	0	0	111.8	M1248 L1254 N1255 Y1256 T1432	M1248-S1251 PolarHBondContact O-N 2.88Å; S1251-L1254 PolarHBondContact O-N 2.85Å; S1251-N1255 PolarHBondContact O-N 2.81Å; S1251-Y1256 VanDerWaalsContact O-CD2 3.28Å; S1251-Y1256 WeakPolarHBondContact O-CD2 3.44Å; S1251-Y1256 PolarHBondContact O-N 3.28Å; S1251-T1432 WeakPolarHBondContact OG-CG2 3.05Å
1252	N	95.1	Very high	94.3	Very high	10 Å²	10	37 Å²	37	5%	0.053	19%	0.188	C	C	.	.	H	α-helix	trans	-64.2	-41.5	178.9	-159.9	22	0	0	0	112.1	M1248 L1250 Y1256 K1257 N1258 K1259 M1260	M1248-N1252 WeakPolarHBondContact O-CB 3.47Å; M1248-N1252 PolarHBondContact O-N 2.81Å; L1250-N1252 VanDerWaalsContact C-N 3.27Å; L1250-N1252 PolarHBondContact O-N 3Å; N1252-Y1256 CarbonylContact O-C 3.42Å; N1252-Y1256 PolarHBondContact O-N 3.24Å; N1252-K1257 PolarHBondContact O-N 3.11Å; N1252-K1257 VanDerWaalsContact O-N 3.09Å; N1252-N1258 VanDerWaalsContact CG-CA 3.47Å; N1252-N1258 PolarHBondContact O-N 2.93Å; N1252-N1258 WeakPolarHBondContact OD1-CA 3.42Å; N1252-N1258 PolarHBondContact OD1-N 3.11Å; N1252-K1259 PolarHBondContact OD1-N 3.16Å; N1252-M1260 HydrophobicContact CB-CB 4.46Å; N1252-M1260 HydrophobicContact CB-CE 3.91Å; N1252-M1260 PolarHBondContact ND2-O 2.87Å; N1252-M1260 VanDerWaalsContact OD1-CB 3.27Å; N1252-M1260 WeakPolarHBondContact OD1-CB 3.05Å; N1252-M1260 PolarHBondContact OD1-N 2.91Å
1253	H	93.5	Very high	94.3	Very high	87 Å²	87	36.4 Å²	36.4	40%	0.403	19%	0.194	S	C	.	.	H	α-helix	trans	-71.1	-44.5	175.1	-177.3	71.6	0	0	0	112	A1249 L1250 F1466	A1249-H1253 VanDerWaalsContact O-CB 3.23Å; A1249-H1253 WeakPolarHBondContact O-CB 3.14Å; A1249-H1253 PolarHBondContact O-N 3.3Å; L1250-H1253 PolarHBondContact O-N 3.41Å; H1253-F1466 HydrophobicContact CB-CD2 4.3Å; H1253-F1466 HydrophobicContact CB-CE1 4.21Å; H1253-F1466 HydrophobicContact CB-CE2 3.83Å; H1253-F1466 HydrophobicContact CB-CZ 3.78Å; H1253-F1466 AromaticContact CD2-CD2 3.33Å; H1253-F1466 WeakPolarHBondContact CD2-CD2 3.39Å; H1253-F1466 AromaticContact CD2-CE2 3.67Å; H1253-F1466 AromaticContact CD2-CG 3.81Å; H1253-F1466 AromaticContact CG-CD2 3.67Å; H1253-F1466 AromaticContact CG-CE2 3.47Å; H1253-F1466 VanDerWaalsContact CG-CE2 3.47Å; H1253-F1466 AromaticContact CG-CZ 3.97Å; H1253-F1466 AromaticContact ND1-CE2 3.75Å; H1253-F1466 AromaticContact NE2-CD2 3.62Å
1254	L	91.5	Very high	94.2	Very high	31 Å²	31	40.1 Å²	40.1	16%	0.162	21%	0.214	C	C	.	.	H	α-helix	trans	-71	-43.3	-175.5	-69.2	172.6	0	0	0	113.7	L1250 S1251 L1424 L1427 L1431 K1462 L1463	L1250-L1254 WeakPolarHBondContact O-CB 3.18Å; L1250-L1254 VanDerWaalsContact O-CG 3.29Å; L1250-L1254 WeakPolarHBondContact O-CG 3.45Å; L1250-L1254 PolarHBondContact O-N 2.93Å; L1250-L1254 VanDerWaalsContact O-N 3.09Å; S1251-L1254 PolarHBondContact O-N 2.85Å; L1254-L1424 HydrophobicContact CB-CD1 4.46Å; L1254-L1427 HydrophobicContact CD1-CD2 4.24Å; L1254-L1431 HydrophobicContact CD1-CD1 3.97Å; L1254-K1462 HydrophobicContact CD2-CB 3.9Å; L1254-L1463 HydrophobicContact CD1-CB 4.09Å; L1254-L1463 HydrophobicContact CD1-CD1 3.88Å
1255	N	89.9	Confident	94	Very high	13 Å²	13	44.2 Å²	44.2	7%	0.07	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121	-41.2	-167.9	-77	50.8	0	0	0	114	Y1185 S1251 L1424 T1428	Y1185-N1255 PolarHBondContact O-ND2 2.98Å; S1251-N1255 PolarHBondContact O-N 2.81Å; N1255-L1424 WeakPolarHBondContact ND2-CG 3.29Å; N1255-L1424 WeakPolarHBondContact OD1-CD1 3.19Å; N1255-L1424 WeakPolarHBondContact OD1-CD2 3.33Å; N1255-L1424 WeakPolarHBondContact OD1-CG 3.39Å; N1255-T1428 PolarHBondContact ND2-OG1 3.36Å; N1255-T1428 PolarHBondContact OD1-OG1 3.25Å
1256	Y	92.6	Very high	93.9	Very high	3 Å²	3	47.4 Å²	47.4	1%	0.012	26%	0.263	C	S	.	.	S	Bend	trans	-96.1	10.8	-167.5	-55.3	-74.1	0	0	0	114	Y1019 P1020 D1183 Y1185 S1251 N1252 N1258 K1259 M1260 T1428	Y1019-Y1256 AromaticContact CD1-CD1 3.5Å; Y1019-Y1256 HydrophobicContact CD1-CD1 3.5Å; Y1019-Y1256 AromaticContact CD1-CE1 3.33Å; Y1019-Y1256 HydrophobicContact CD1-CE1 3.33Å; Y1019-Y1256 HydrophobicContact CD2-CD1 4.07Å; Y1019-Y1256 HydrophobicContact CD2-CE1 4.5Å; Y1019-Y1256 HydrophobicContact CD2-CG 4.46Å; Y1019-Y1256 AromaticContact CE1-CD1 3.41Å; Y1019-Y1256 HydrophobicContact CE1-CD1 3.41Å; Y1019-Y1256 VanDerWaalsContact CE1-CD1 3.41Å; Y1019-Y1256 AromaticContact CE1-CE1 3.64Å; Y1019-Y1256 HydrophobicContact CE1-CE1 3.64Å; Y1019-Y1256 AromaticContact CE2-CD1 3.99Å; Y1019-Y1256 HydrophobicContact CE2-CD1 3.99Å; Y1019-Y1256 HydrophobicContact CE2-CG 4.44Å; Y1019-Y1256 AromaticContact CG-CD1 3.87Å; Y1019-Y1256 HydrophobicContact CG-CD1 3.87Å; Y1019-Y1256 AromaticContact CG-CE1 3.84Å; Y1019-Y1256 HydrophobicContact CG-CE1 3.84Å; Y1019-Y1256 AromaticContact CZ-CD1 3.69Å; P1020-Y1256 WeakPolarHBondContact CD-OH 3.14Å; P1020-Y1256 HydrophobicContact CG-CE2 4.45Å; P1020-Y1256 WeakPolarHBondContact CG-OH 3.3Å; D1183-Y1256 PolarHBondContact OD2-OH 2.94Å; Y1185-Y1256 AromaticContact CD2-CD1 3.77Å; Y1185-Y1256 HydrophobicContact CD2-CD1 3.77Å; Y1185-Y1256 AromaticContact CD2-CE1 3.63Å; Y1185-Y1256 HydrophobicContact CD2-CE1 3.63Å; Y1185-Y1256 HydrophobicContact CE2-CD1 4.37Å; Y1185-Y1256 HydrophobicContact CG-CD1 4.39Å; Y1185-Y1256 HydrophobicContact CG-CE1 4.12Å; S1251-Y1256 VanDerWaalsContact O-CD2 3.28Å; S1251-Y1256 WeakPolarHBondContact O-CD2 3.44Å; S1251-Y1256 PolarHBondContact O-N 3.28Å; N1252-Y1256 CarbonylContact O-C 3.42Å; N1252-Y1256 PolarHBondContact O-N 3.24Å; Y1256-N1258 PolarHBondContact O-N 2.91Å; Y1256-N1258 VanDerWaalsContact O-N 3.16Å; Y1256-K1259 VanDerWaalsContact O-CB 3.29Å; Y1256-K1259 WeakPolarHBondContact O-CB 3.49Å; Y1256-K1259 WeakPolarHBondContact O-CG 3.32Å; Y1256-K1259 PolarHBondContact O-N 3.36Å; Y1256-M1260 HydrophobicContact CD2-CE 4Å; Y1256-M1260 HydrophobicContact CE2-CE 4.36Å; Y1256-T1428 HydrophobicContact CE2-CG2 3.95Å; Y1256-T1428 WeakPolarHBondContact OH-CG2 3.37Å
1257	K	90.1	Very high	93.8	Very high	171 Å²	171	45.6 Å²	45.6	74%	0.743	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	39.8	176.8	-56.7	-179.5	179.4	-178.4	0	112.9	N1252 K1259	N1252-K1257 PolarHBondContact O-N 3.11Å; N1252-K1257 VanDerWaalsContact O-N 3.09Å; K1257-K1259 PolarHBondContact O-N 3.41Å; K1257-K1259 VanDerWaalsContact O-N 3.15Å
1258	N	92.6	Very high	93.8	Very high	106 Å²	106	46.5 Å²	46.5	57%	0.567	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	14.4	-176.7	-60.5	-41.7	0	0	0	116.2	N1252 Y1256 M1260	N1252-N1258 VanDerWaalsContact CG-CA 3.47Å; N1252-N1258 PolarHBondContact O-N 2.93Å; N1252-N1258 WeakPolarHBondContact OD1-CA 3.42Å; N1252-N1258 PolarHBondContact OD1-N 3.11Å; Y1256-N1258 PolarHBondContact O-N 2.91Å; Y1256-N1258 VanDerWaalsContact O-N 3.16Å; N1258-M1260 VanDerWaalsContact C-N 3.33Å; N1258-M1260 PolarHBondContact O-N 3.43Å
1259	K	92.8	Very high	93.8	Very high	74 Å²	74	50.4 Å²	50.4	32%	0.322	28%	0.281	S	S	.	.			trans	-72.2	-23.7	-179.3	-68.8	-179.9	166.5	-168.7	0	113.8	Y1019 E1236 T1238 N1252 Y1256 K1257	Y1019-K1259 HydrophobicContact CE2-CB 4.28Å; E1236-K1259 IonicContact OE1-NZ 2.79Å; E1236-K1259 PolarHBondContact OE1-NZ 3.33Å; E1236-K1259 WeakPolarHBondContact OE2-CD 3.19Å; E1236-K1259 IonicContact OE2-NZ 3.82Å; E1236-K1259 PolarHBondContact OE2-NZ 3.41Å; T1238-K1259 VanDerWaalsContact CB-O 3.27Å; T1238-K1259 WeakPolarHBondContact CB-O 3.42Å; T1238-K1259 HydrophobicContact CG2-CB 4.34Å; N1252-K1259 PolarHBondContact OD1-N 3.16Å; Y1256-K1259 VanDerWaalsContact O-CB 3.29Å; Y1256-K1259 WeakPolarHBondContact O-CB 3.49Å; Y1256-K1259 WeakPolarHBondContact O-CG 3.32Å; Y1256-K1259 PolarHBondContact O-N 3.36Å; K1257-K1259 PolarHBondContact O-N 3.41Å; K1257-K1259 VanDerWaalsContact O-N 3.15Å
1260	M	93.6	Very high	93.7	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.025	28%	0.278	C	S	.	.			trans	-80.9	138.8	-175.2	-174.1	173.6	47.7	0	0	111.6	Y1019 T1238 Q1240 M1243 M1248 N1252 Y1256 N1258	Y1019-M1260 HydrophobicContact CD2-CB 4.16Å; Y1019-M1260 HydrophobicContact CD2-CG 4.44Å; T1238-M1260 WeakPolarHBondContact O-CA 3.35Å; Q1240-M1260 HydrophobicContact CB-CG 4.21Å; Q1240-M1260 HydrophobicContact CB-SD 4.17Å; Q1240-M1260 HydrophobicContact CG-CG 3.75Å; Q1240-M1260 HydrophobicContact CG-SD 3.82Å; M1243-M1260 HydrophobicContact CE-CE 4.09Å; M1243-M1260 HydrophobicContact CE-SD 3.97Å; M1248-M1260 HydrophobicContact CG-CE 3.4Å; M1248-M1260 VanDerWaalsContact CG-CE 3.4Å; M1248-M1260 HydrophobicContact CG-CG 4.18Å; M1248-M1260 HydrophobicContact CG-SD 4.12Å; M1248-M1260 HydrophobicContact SD-CE 4.46Å; M1248-M1260 HydrophobicContact SD-CG 4.01Å; N1252-M1260 HydrophobicContact CB-CB 4.46Å; N1252-M1260 HydrophobicContact CB-CE 3.91Å; N1252-M1260 PolarHBondContact ND2-O 2.87Å; N1252-M1260 VanDerWaalsContact OD1-CB 3.27Å; N1252-M1260 WeakPolarHBondContact OD1-CB 3.05Å; N1252-M1260 PolarHBondContact OD1-N 2.91Å; Y1256-M1260 HydrophobicContact CD2-CE 4Å; Y1256-M1260 HydrophobicContact CE2-CE 4.36Å; N1258-M1260 VanDerWaalsContact C-N 3.33Å; N1258-M1260 PolarHBondContact O-N 3.43Å
1261	S	95	Very high	93.7	Very high	52 Å²	52	52.2 Å²	52.2	36%	0.364	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	148.8	179.3	63.9	0	0	0	0	112.2	T1238 I1239 Q1240	T1238-S1261 PolarHBondContact O-N 3.39Å; I1239-S1261 WeakPolarHBondContact CA-O 3.45Å; Q1240-S1261 PolarHBondContact N-O 2.77Å
1262	C	95.8	Very high	93.7	Very high	27 Å²	27	52.5 Å²	52.5	18%	0.182	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	137.5	173.7	-65.4	0	0	0	0	109.9	Q1240 N1264	Q1240-C1262 PolarHBondContact NE2-SG 3.01Å; C1262-N1264 VanDerWaalsContact C-N 3.32Å; C1262-N1264 PolarHBondContact O-N 2.87Å
1263	A	93.1	Very high	93.5	Very high	36 Å²	36	59.7 Å²	59.7	30%	0.298	32%	0.324	S	S	.	.	S	Bend	trans	-64	-32.8	-177.4	0	0	0	0	0	114.7	I1239 Q1240 Y1241 I1267	I1239-A1263 HydrophobicContact CG2-CB 3.5Å; Q1240-A1263 WeakPolarHBondContact O-CB 3.29Å; Q1240-A1263 PolarHBondContact O-N 3.38Å; Y1241-A1263 HydrophobicContact CD1-CB 3.42Å; Y1241-A1263 VanDerWaalsContact CD1-CB 3.42Å; Y1241-A1263 HydrophobicContact CD2-CB 4.43Å; Y1241-A1263 HydrophobicContact CE1-CB 3.22Å; Y1241-A1263 HydrophobicContact CE2-CB 4.28Å; Y1241-A1263 HydrophobicContact CG-CB 4.04Å; A1263-I1267 HydrophobicContact CB-CD1 4.08Å
1264	N	93.5	Very high	93.2	Very high	79 Å²	79	59 Å²	59	42%	0.422	32%	0.322	S	S	.	.	S	Bend	trans	-156.2	170.3	179	59.6	37.8	0	0	0	111.5	C1262 C1266 I1267 S1268	C1262-N1264 VanDerWaalsContact C-N 3.32Å; C1262-N1264 PolarHBondContact O-N 2.87Å; N1264-C1266 VanDerWaalsContact C-N 3.28Å; N1264-C1266 PolarHBondContact O-N 2.93Å; N1264-C1266 WeakPolarHBondContact OD1-CB 3.44Å; N1264-C1266 PolarHBondContact OD1-N 3.16Å; N1264-I1267 PolarHBondContact O-N 3.43Å; N1264-I1267 WeakPolarHBondContact OD1-CD1 3.47Å; N1264-I1267 WeakPolarHBondContact OD1-CG1 3.19Å; N1264-I1267 PolarHBondContact OD1-N 3.27Å; N1264-S1268 PolarHBondContact O-N 3.24Å
1265	S	94.7	Very high	92.9	Very high	86 Å²	86	59.3 Å²	59.3	60%	0.601	32%	0.324	S	S	*	.	H	α-helix	trans	-62.9	-32.9	178.9	-169.6	0	0	0	0	112.9	I1267 S1268 Q1269	S1265-I1267 VanDerWaalsContact C-N 3.32Å; S1265-I1267 PolarHBondContact O-N 3.11Å; S1265-S1268 WeakPolarHBondContact CA-OG 3.38Å; S1265-S1268 PolarHBondContact O-N 3.15Å; S1265-S1268 PolarHBondContact O-OG 3.13Å; S1265-S1268 VanDerWaalsContact O-OG 3.14Å; S1265-Q1269 WeakPolarHBondContact O-CB 3.41Å; S1265-Q1269 WeakPolarHBondContact O-CG 3.26Å; S1265-Q1269 PolarHBondContact O-N 2.81Å
1266	C	94.1	Very high	92.5	Very high	102 Å²	102	63.7 Å²	63.7	69%	0.689	35%	0.354	S	S	*	.	H	α-helix	trans	-61.2	-40.9	178.6	-175.5	0	0	0	0	112.1	N1264 A1270	N1264-C1266 VanDerWaalsContact C-N 3.28Å; N1264-C1266 PolarHBondContact O-N 2.93Å; N1264-C1266 WeakPolarHBondContact OD1-CB 3.44Å; N1264-C1266 PolarHBondContact OD1-N 3.16Å; C1266-A1270 WeakPolarHBondContact O-CB 3.39Å; C1266-A1270 PolarHBondContact O-N 3.28Å
1267	I	94.1	Very high	91.8	Very high	27 Å²	27	69.9 Å²	69.9	14%	0.138	39%	0.387	C	S	.	.	H	α-helix	trans	-74.8	-44.9	176	-66.7	159.9	0	0	0	109.7	Y1241 M1243 N1244 A1263 N1264 S1265 Q1269 A1270	Y1241-I1267 HydrophobicContact CD1-CD1 3.82Å; Y1241-I1267 HydrophobicContact CG-CD1 4.31Å; M1243-I1267 WeakPolarHBondContact O-CG2 3.37Å; N1244-I1267 VanDerWaalsContact CA-O 3.26Å; N1244-I1267 WeakPolarHBondContact CA-O 3.32Å; N1244-I1267 WeakPolarHBondContact CB-O 3.33Å; A1263-I1267 HydrophobicContact CB-CD1 4.08Å; N1264-I1267 PolarHBondContact O-N 3.43Å; N1264-I1267 WeakPolarHBondContact OD1-CD1 3.47Å; N1264-I1267 WeakPolarHBondContact OD1-CG1 3.19Å; N1264-I1267 PolarHBondContact OD1-N 3.27Å; S1265-I1267 VanDerWaalsContact C-N 3.32Å; S1265-I1267 PolarHBondContact O-N 3.11Å; I1267-Q1269 PolarHBondContact O-N 3.16Å; I1267-A1270 WeakPolarHBondContact O-CB 3.41Å; I1267-A1270 PolarHBondContact O-N 2.79Å; I1267-A1270 VanDerWaalsContact O-N 3.09Å
1268	S	95.8	Very high	90.9	Very high	20 Å²	20	63.1 Å²	63.1	14%	0.14	36%	0.358	C	S	.	.	H	α-helix	trans	-62.7	-28.3	-175.8	80.7	0	0	0	0	113.5	S1245 N1264 S1265	S1245-S1268 WeakPolarHBondContact CB-O 3.42Å; S1245-S1268 PolarHBondContact N-O 3.14Å; S1245-S1268 PolarHBondContact OG-O 2.84Å; N1264-S1268 PolarHBondContact O-N 3.24Å; S1265-S1268 WeakPolarHBondContact CA-OG 3.38Å; S1265-S1268 PolarHBondContact O-N 3.15Å; S1265-S1268 PolarHBondContact O-OG 3.13Å; S1265-S1268 VanDerWaalsContact O-OG 3.14Å
1269	Q	95.8	Very high	89.5	Confident	101 Å²	101	61.8 Å²	61.8	47%	0.472	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	9.9	177.4	-58.3	-58.2	-41.2	0	0	113.7	S1265 I1267 T1271	S1265-Q1269 WeakPolarHBondContact O-CB 3.41Å; S1265-Q1269 WeakPolarHBondContact O-CG 3.26Å; S1265-Q1269 PolarHBondContact O-N 2.81Å; I1267-Q1269 PolarHBondContact O-N 3.16Å; Q1269-T1271 PolarHBondContact O-N 3.23Å
1270	A	95.3	Very high	87.9	Confident	21 Å²	21	63 Å²	63	17%	0.174	37%	0.372	C	S	.	.			trans	-66.3	125.7	-178.2	0	0	0	0	0	111.7	N1244 C1266 I1267	N1244-A1270 WeakPolarHBondContact CB-O 3.04Å; N1244-A1270 PolarHBondContact ND2-O 2.85Å; C1266-A1270 WeakPolarHBondContact O-CB 3.39Å; C1266-A1270 PolarHBondContact O-N 3.28Å; I1267-A1270 WeakPolarHBondContact O-CB 3.41Å; I1267-A1270 PolarHBondContact O-N 2.79Å; I1267-A1270 VanDerWaalsContact O-N 3.09Å
1271	T	94.9	Very high	86	Confident	45 Å²	45	69.2 Å²	69.2	28%	0.276	41%	0.405	S	S	.	.			trans	-132	174.6	177.3	64.3	0	0	0	0	111.8	Q1269 P1297 I1299 H1436	Q1269-T1271 PolarHBondContact O-N 3.23Å; T1271-P1297 WeakPolarHBondContact CB-O 3.41Å; T1271-P1297 WeakPolarHBondContact CG2-O 3.43Å; T1271-P1297 PolarHBondContact OG1-O 3.14Å; T1271-P1297 VanDerWaalsContact OG1-O 3.09Å; T1271-I1299 HydrophobicContact CG2-CB 4.07Å; T1271-I1299 HydrophobicContact CG2-CD1 3.97Å; T1271-H1436 PolarHBondContact O-ND1 3.12Å
1272	L	93.5	Very high	83.9	Confident	7 Å²	7	71.5 Å²	71.5	4%	0.037	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-72.3	138.4	175.5	-58.2	179.7	0	0	0	110.5	F1345 L1347 K1391 H1436 K1437	L1272-F1345 HydrophobicContact CB-CD1 3.44Å; L1272-F1345 VanDerWaalsContact CB-CD1 3.44Å; L1272-F1345 HydrophobicContact CB-CE1 3.71Å; L1272-F1345 HydrophobicContact CB-CG 3.99Å; L1272-F1345 HydrophobicContact CB-CZ 4.43Å; L1272-F1345 HydrophobicContact CD1-CD1 4.15Å; L1272-F1345 HydrophobicContact CD1-CD2 3.97Å; L1272-F1345 HydrophobicContact CD1-CE1 4.23Å; L1272-F1345 HydrophobicContact CD1-CE2 4.03Å; L1272-F1345 HydrophobicContact CD1-CG 4Å; L1272-F1345 HydrophobicContact CD1-CZ 4.15Å; L1272-F1345 HydrophobicContact CG-CD1 4.47Å; L1272-L1347 HydrophobicContact CD1-CD1 4.18Å; L1272-L1347 HydrophobicContact CD2-CD1 4.15Å; L1272-L1347 HydrophobicContact CD2-CD2 4.08Å; L1272-K1391 HydrophobicContact CD2-CB 4.15Å; L1272-H1436 HydrophobicContact CD2-CB 3.79Å; L1272-H1436 HydrophobicContact CG-CB 4.34Å; L1272-K1437 HydrophobicContact CD1-CB 3.74Å; L1272-K1437 HydrophobicContact CD1-CD 3.61Å; L1272-K1437 HydrophobicContact CD1-CG 4.27Å; L1272-K1437 HydrophobicContact CD2-CB 4.46Å; L1272-K1437 HydrophobicContact CG-CB 3.98Å; L1272-K1437 HydrophobicContact CG-CD 4.41Å
1273	K	91	Very high	82	Confident	161 Å²	161	72.9 Å²	72.9	70%	0.7	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-84.2	132	175.8	-63.5	-175.4	179.4	-174.8	0	109.6	F1345 L1346	K1273-F1345 WeakPolarHBondContact O-CA 3.38Å; K1273-L1346 PolarHBondContact O-N 2.86Å
1274	L	87.8	Confident	80.1	Confident	71 Å²	71	73.1 Å²	73.1	37%	0.372	42%	0.415	S	S	.	.	B	Isolated β-bridge	trans	-64.7	148.5	172.4	-66.4	175.7	0	0	0	110.5	P1297 V1344 F1345	L1274-P1297 HydrophobicContact CD1-CG 4.05Å; L1274-P1297 HydrophobicContact CD2-CB 4.23Å; L1274-P1297 HydrophobicContact CD2-CG 4.17Å; L1274-P1297 HydrophobicContact CG-CB 4.16Å; L1274-P1297 HydrophobicContact CG-CG 4.09Å; L1274-V1344 HydrophobicContact CD2-CG1 3.86Å; L1274-F1345 HydrophobicContact CD2-CD1 4.01Å; L1274-F1345 HydrophobicContact CD2-CE1 3.82Å
1275	N	85.4	Confident	78.7	Confident	39 Å²	39	76.3 Å²	76.3	21%	0.209	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-67.7	127.8	169.6	-174.1	-11.9	0	0	0	108.9	N1277 I1278 V1344	N1275-N1277 PolarHBondContact O-N 2.77Å; N1275-N1277 VanDerWaalsContact O-N 3.09Å; N1275-N1277 PolarHBondContact OD1-N 2.6Å; N1275-I1278 HydrophobicContact CB-CD1 3.58Å; N1275-I1278 HydrophobicContact CB-CG1 4.06Å; N1275-I1278 PolarHBondContact O-N 2.62Å; N1275-I1278 VanDerWaalsContact O-N 3.15Å; N1275-V1344 PolarHBondContact N-O 3.35Å
1276	P	80.9	Confident	77.7	Confident	105 Å²	105	81.4 Å²	81.4	68%	0.682	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-19.6	-179.1	23.4	-35.8	0	0	0	114.3	I1278	P1276-I1278 VanDerWaalsContact C-N 3.26Å; P1276-I1278 PolarHBondContact O-N 2.85Å
1277	N	78.4	Confident	77	Confident	132 Å²	132	78.1 Å²	78.1	71%	0.706	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-7.5	179.5	-67.3	-8.8	0	0	0	114	N1275	N1275-N1277 PolarHBondContact O-N 2.77Å; N1275-N1277 VanDerWaalsContact O-N 3.09Å; N1275-N1277 PolarHBondContact OD1-N 2.6Å
1278	I	71	Confident	76.6	Confident	29 Å²	29	78.5 Å²	78.5	15%	0.149	42%	0.423	C	S	.	.			trans	-87.1	118	-177.6	-63.6	161.1	0	0	0	109.3	N1275 P1276 E1282 I1283 V1344	N1275-I1278 HydrophobicContact CB-CD1 3.58Å; N1275-I1278 HydrophobicContact CB-CG1 4.06Å; N1275-I1278 PolarHBondContact O-N 2.62Å; N1275-I1278 VanDerWaalsContact O-N 3.15Å; P1276-I1278 VanDerWaalsContact C-N 3.26Å; P1276-I1278 PolarHBondContact O-N 2.85Å; I1278-E1282 HydrophobicContact CG2-CB 4.18Å; I1278-I1283 HydrophobicContact CG2-CG1 4.25Å; I1278-V1344 HydrophobicContact CD1-CB 4.22Å; I1278-V1344 HydrophobicContact CD1-CG1 4.24Å; I1278-V1344 WeakPolarHBondContact CD1-O 3.14Å
1279	T	62.9	Low	76.2	Confident	78 Å²	78	82.8 Å²	82.8	48%	0.479	44%	0.444	S	S	.	.			trans	-74.8	148.3	165	46.3	0	0	0	0	110.2	D1281 E1282	T1279-D1281 PolarHBondContact O-N 3.2Å; T1279-E1282 PolarHBondContact O-N 2.99Å
1280	S	59.5	Low	76	Confident	100 Å²	100	78.4 Å²	78.4	70%	0.699	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-48.3	-29.3	172.2	46.2	0	0	0	0	113.1	I1283	S1280-I1283 PolarHBondContact O-N 2.96Å
1281	D	53.2	Low	75.7	Confident	135 Å²	135	77.4 Å²	77.4	72%	0.722	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-73.3	-22.5	-178.2	-58.6	-10.3	0	0	0	113.8	T1279 I1283	T1279-D1281 PolarHBondContact O-N 3.2Å; D1281-I1283 VanDerWaalsContact C-N 3.32Å
1282	E	52.1	Low	75.4	Confident	101 Å²	101	78.2 Å²	78.2	47%	0.472	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-77	-20	176.7	-76.8	-176.2	169.9	0	0	112.4	I1278 T1279 S1284 H1343	I1278-E1282 HydrophobicContact CG2-CB 4.18Å; T1279-E1282 PolarHBondContact O-N 2.99Å; E1282-S1284 PolarHBondContact O-N 3.25Å; E1282-H1343 IonicContact OE2-CE1 3.49Å
1283	I	54	Low	75.3	Confident	55 Å²	55	79.6 Å²	79.6	28%	0.282	42%	0.419	S	S	.	.	S	Bend	trans	-80.7	59.8	165.7	-47.9	176.8	0	0	0	107.4	I1278 S1280 D1281	I1278-I1283 HydrophobicContact CG2-CG1 4.25Å; S1280-I1283 PolarHBondContact O-N 2.96Å; D1281-I1283 VanDerWaalsContact C-N 3.32Å
1284	S	54.8	Low	75.3	Confident	42 Å²	42	72 Å²	72	29%	0.294	39%	0.386	S	S	.	.			trans	-48	138.9	-172.6	168.6	0	0	0	0	113.3	E1282 K1286 L1287 K1292	E1282-S1284 PolarHBondContact O-N 3.25Å; S1284-K1286 PolarHBondContact O-N 3.31Å; S1284-K1286 WeakPolarHBondContact OG-CB 3.38Å; S1284-K1286 PolarHBondContact OG-N 3.16Å; S1284-K1286 VanDerWaalsContact OG-N 3.09Å; S1284-L1287 PolarHBondContact O-N 3.49Å; S1284-L1287 VanDerWaalsContact O-N 3.15Å; S1284-K1292 WeakPolarHBondContact O-CE 3.44Å
1285	D	62.4	Low	75.5	Confident	146 Å²	146	68.7 Å²	68.7	78%	0.781	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-18.8	172.5	-95.9	-31.2	0	0	0	113.7	L1287 K1292	D1285-L1287 VanDerWaalsContact C-N 3.34Å; D1285-L1287 PolarHBondContact O-N 3.23Å; D1285-K1292 WeakPolarHBondContact O-CE 3.28Å; D1285-K1292 PolarHBondContact O-NZ 3.28Å; D1285-K1292 IonicContact OD1-NZ 3.48Å; D1285-K1292 PolarHBondContact OD1-NZ 3.45Å; D1285-K1292 VanDerWaalsContact OD1-NZ 3.14Å
1286	K	73.7	Confident	75.8	Confident	193 Å²	193	67.6 Å²	67.6	84%	0.839	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-10.9	179.3	-59.3	-177	178.8	178.2	0	114.4	S1284	S1284-K1286 PolarHBondContact O-N 3.31Å; S1284-K1286 WeakPolarHBondContact OG-CB 3.38Å; S1284-K1286 PolarHBondContact OG-N 3.16Å; S1284-K1286 VanDerWaalsContact OG-N 3.09Å
1287	L	80.6	Confident	76.2	Confident	33 Å²	33	64.7 Å²	64.7	17%	0.173	35%	0.345	C	S	.	.	S	Bend	trans	-72	142	179	-71.1	167.4	0	0	0	111	S1284 D1285 I1291 K1292 W1484	S1284-L1287 PolarHBondContact O-N 3.49Å; S1284-L1287 VanDerWaalsContact O-N 3.15Å; D1285-L1287 VanDerWaalsContact C-N 3.34Å; D1285-L1287 PolarHBondContact O-N 3.23Å; L1287-I1291 HydrophobicContact CB-CG2 4.23Å; L1287-I1291 HydrophobicContact CD1-CG2 4.1Å; L1287-I1291 HydrophobicContact CD2-CG2 3.93Å; L1287-I1291 HydrophobicContact CG-CG2 4.31Å; L1287-K1292 HydrophobicContact CB-CG 4.04Å; L1287-K1292 WeakPolarHBondContact O-CE 3.41Å; L1287-W1484 HydrophobicContact CD2-CH2 4.2Å; L1287-W1484 HydrophobicContact CD2-CZ2 4.29Å
1288	P	86.1	Confident	76.8	Confident	35 Å²	35	63.2 Å²	63.2	23%	0.227	34%	0.337	C	S	.	.			trans	-64.1	150.8	175.5	28.1	-34.4	0	0	0	110.8	W1290 I1291 K1292 W1484	P1288-W1290 HydrophobicContact CG-CZ2 4.38Å; P1288-W1290 PolarHBondContact O-N 3.34Å; P1288-W1290 VanDerWaalsContact O-N 3.15Å; P1288-I1291 HydrophobicContact CG-CB 4.08Å; P1288-I1291 HydrophobicContact CG-CG1 3.94Å; P1288-I1291 PolarHBondContact O-N 3.09Å; P1288-K1292 PolarHBondContact O-N 3.19Å; P1288-W1484 VanDerWaalsContact CD-CZ2 3.43Å; P1288-W1484 HydrophobicContact CG-CH2 3.84Å; P1288-W1484 HydrophobicContact CG-CZ2 3.94Å; P1288-W1484 HydrophobicContact CG-CZ3 4.18Å
1289	L	87.7	Confident	77.9	Confident	110 Å²	110	63.7 Å²	63.7	58%	0.576	34%	0.339	S	S	*	.	H	α-helix	trans	-49.9	-44.6	-175.7	-172.9	78.2	0	0	0	112.3	I1291 K1292 R1293 E1475	L1289-I1291 VanDerWaalsContact C-N 3.3Å; L1289-I1291 PolarHBondContact O-N 3.08Å; L1289-K1292 WeakPolarHBondContact O-CB 3.28Å; L1289-K1292 PolarHBondContact O-N 2.8Å; L1289-K1292 VanDerWaalsContact O-N 3.14Å; L1289-R1293 WeakPolarHBondContact O-CG 3.31Å; L1289-R1293 PolarHBondContact O-N 2.84Å; L1289-E1475 WeakPolarHBondContact CD2-OE1 3.17Å
1290	W	89.7	Confident	79.3	Confident	8 Å²	8	62.3 Å²	62.3	3%	0.03	33%	0.333	C	S	.	.	H	α-helix	trans	-61.6	-35.9	-179.8	70.9	-93.2	0	0	0	112.8	P1288 V1294 L1306 L1333 Y1336 I1337 E1475 L1477 T1481 W1484	P1288-W1290 HydrophobicContact CG-CZ2 4.38Å; P1288-W1290 PolarHBondContact O-N 3.34Å; P1288-W1290 VanDerWaalsContact O-N 3.15Å; W1290-V1294 HydrophobicContact CE3-CG2 4.31Å; W1290-V1294 VanDerWaalsContact O-CG2 3.23Å; W1290-V1294 WeakPolarHBondContact O-CG2 3.39Å; W1290-V1294 PolarHBondContact O-N 3.27Å; W1290-L1306 HydrophobicContact CB-CD2 4.37Å; W1290-L1306 HydrophobicContact CE3-CD1 4.21Å; W1290-L1306 HydrophobicContact CZ3-CD1 4.43Å; W1290-L1333 HydrophobicContact CH2-CD1 3.69Å; W1290-L1333 HydrophobicContact CZ3-CD1 3.87Å; W1290-Y1336 HydrophobicContact CH2-CD1 4.35Å; W1290-Y1336 HydrophobicContact CH2-CE1 4.37Å; W1290-I1337 HydrophobicContact CZ3-CD1 4.49Å; W1290-I1337 HydrophobicContact CZ3-CG1 4.34Å; W1290-E1475 HydrophobicContact CB-CB 4.01Å; W1290-E1475 HydrophobicContact CB-CG 4.08Å; W1290-L1477 HydrophobicContact CB-CD2 4.1Å; W1290-L1477 HydrophobicContact CD2-CD2 3.32Å; W1290-L1477 HydrophobicContact CE3-CD2 3.59Å; W1290-L1477 HydrophobicContact CG-CD2 3.55Å; W1290-L1477 HydrophobicContact CH2-CD2 4.45Å; W1290-L1477 HydrophobicContact CZ2-CD2 4.28Å; W1290-L1477 HydrophobicContact CZ3-CD2 4.12Å; W1290-T1481 HydrophobicContact CH2-CG2 4.21Å; W1290-T1481 HydrophobicContact CZ2-CG2 3.68Å; W1290-W1484 HydrophobicContact CZ2-CE3 4.22Å; W1290-W1484 AromaticContact CZ2-CZ3 3.94Å; W1290-W1484 HydrophobicContact CZ2-CZ3 3.94Å
1291	I	89.7	Confident	80.9	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-73.3	-40.4	173.4	-72.5	-65.3	0	0	0	111.7	L1287 P1288 L1289 R1293 V1294 N1295 Y1336 W1484	L1287-I1291 HydrophobicContact CB-CG2 4.23Å; L1287-I1291 HydrophobicContact CD1-CG2 4.1Å; L1287-I1291 HydrophobicContact CD2-CG2 3.93Å; L1287-I1291 HydrophobicContact CG-CG2 4.31Å; P1288-I1291 HydrophobicContact CG-CB 4.08Å; P1288-I1291 HydrophobicContact CG-CG1 3.94Å; P1288-I1291 PolarHBondContact O-N 3.09Å; L1289-I1291 VanDerWaalsContact C-N 3.3Å; L1289-I1291 PolarHBondContact O-N 3.08Å; I1291-R1293 PolarHBondContact O-N 2.9Å; I1291-V1294 PolarHBondContact O-N 3.28Å; I1291-V1294 VanDerWaalsContact O-N 3.09Å; I1291-N1295 WeakPolarHBondContact O-CB 3.41Å; I1291-N1295 PolarHBondContact O-N 3.09Å; I1291-Y1336 HydrophobicContact CD1-CD1 4.23Å; I1291-Y1336 HydrophobicContact CD1-CE1 3.68Å; I1291-Y1336 HydrophobicContact CG1-CE1 4.31Å; I1291-W1484 HydrophobicContact CG1-CH2 4.15Å; I1291-W1484 HydrophobicContact CG1-CZ3 4.18Å
1292	K	88.9	Confident	82.9	Confident	62 Å²	62	52 Å²	52	27%	0.27	27%	0.27	S	S	.	.	H	α-helix	trans	-54.8	-39.6	174.2	-68.1	-172.8	178.1	-179.1	0	110.8	S1284 D1285 L1287 P1288 L1289 N1295 S1296	S1284-K1292 WeakPolarHBondContact O-CE 3.44Å; D1285-K1292 WeakPolarHBondContact O-CE 3.28Å; D1285-K1292 PolarHBondContact O-NZ 3.28Å; D1285-K1292 IonicContact OD1-NZ 3.48Å; D1285-K1292 PolarHBondContact OD1-NZ 3.45Å; D1285-K1292 VanDerWaalsContact OD1-NZ 3.14Å; L1287-K1292 HydrophobicContact CB-CG 4.04Å; L1287-K1292 WeakPolarHBondContact O-CE 3.41Å; P1288-K1292 PolarHBondContact O-N 3.19Å; L1289-K1292 WeakPolarHBondContact O-CB 3.28Å; L1289-K1292 PolarHBondContact O-N 2.8Å; L1289-K1292 VanDerWaalsContact O-N 3.14Å; K1292-N1295 CarbonylContact O-C 3.59Å; K1292-N1295 PolarHBondContact O-N 3.03Å; K1292-S1296 WeakPolarHBondContact O-CB 3.48Å; K1292-S1296 PolarHBondContact O-N 3.01Å
1293	R	91	Very high	85	Confident	37 Å²	37	47.1 Å²	47.1	14%	0.14	25%	0.247	C	C	.	.	H	α-helix	trans	-72.6	-40	174.9	-63.9	-175.1	72.5	176.7	6.9	113.5	L1289 I1291 N1295 S1296 D1301 L1304 K1437 G1472 Y1474 E1475	L1289-R1293 WeakPolarHBondContact O-CG 3.31Å; L1289-R1293 PolarHBondContact O-N 2.84Å; I1291-R1293 PolarHBondContact O-N 2.9Å; R1293-N1295 PolarHBondContact O-N 2.89Å; R1293-S1296 VanDerWaalsContact O-CB 3.3Å; R1293-S1296 WeakPolarHBondContact O-CB 3.38Å; R1293-S1296 PolarHBondContact O-N 3.24Å; R1293-S1296 VanDerWaalsContact O-N 3.11Å; R1293-D1301 IonicContact CZ-OD1 2.75Å; R1293-D1301 IonicContact NE-OD1 3.81Å; R1293-D1301 PolarHBondContact NE-OD1 3.35Å; R1293-D1301 IonicContact NH2-OD1 3.11Å; R1293-D1301 PolarHBondContact NH2-OD1 2.86Å; R1293-L1304 HydrophobicContact CB-CD1 4.16Å; R1293-L1304 HydrophobicContact CB-CD2 4.11Å; R1293-L1304 WeakPolarHBondContact O-CD1 3.31Å; R1293-K1437 PolarHBondContact O-NZ 2.93Å; R1293-G1472 PolarHBondContact NH1-O 2.73Å; R1293-G1472 PolarHBondContact NH2-O 3.38Å; R1293-Y1474 PolarHBondContact NH1-O 3.26Å; R1293-E1475 WeakPolarHBondContact CD-OE1 3.14Å; R1293-E1475 IonicContact CZ-OE1 3.54Å; R1293-E1475 IonicContact NE-OE1 2.73Å; R1293-E1475 IonicContact NH1-OE1 3.9Å; R1293-E1475 PolarHBondContact NH1-OE1 2.93Å
1294	V	92.3	Very high	87	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-58.4	-35.4	171.9	168.8	0	0	0	0	111.3	W1290 I1291 L1304 L1306 I1337 I1341 K1437 I1439	W1290-V1294 HydrophobicContact CE3-CG2 4.31Å; W1290-V1294 VanDerWaalsContact O-CG2 3.23Å; W1290-V1294 WeakPolarHBondContact O-CG2 3.39Å; W1290-V1294 PolarHBondContact O-N 3.27Å; I1291-V1294 PolarHBondContact O-N 3.28Å; I1291-V1294 VanDerWaalsContact O-N 3.09Å; V1294-L1304 HydrophobicContact CG2-CD1 4.13Å; V1294-L1306 HydrophobicContact CG2-CD1 4.11Å; V1294-I1337 HydrophobicContact CG1-CG2 3.97Å; V1294-I1341 HydrophobicContact CG1-CD1 4Å; V1294-I1341 HydrophobicContact CG1-CG1 3.94Å; V1294-K1437 PolarHBondContact O-NZ 3.2Å; V1294-I1439 HydrophobicContact CG1-CD1 4.11Å; V1294-I1439 HydrophobicContact CG2-CD1 4.32Å
1295	N	90.9	Very high	88.9	Confident	3 Å²	3	42.6 Å²	42.6	2%	0.016	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-5.2	178.7	-68.1	-8.4	0	0	0	113.7	I1291 K1292 R1293 V1344 F1345	I1291-N1295 WeakPolarHBondContact O-CB 3.41Å; I1291-N1295 PolarHBondContact O-N 3.09Å; K1292-N1295 CarbonylContact O-C 3.59Å; K1292-N1295 PolarHBondContact O-N 3.03Å; R1293-N1295 PolarHBondContact O-N 2.89Å; N1295-V1344 HydrophobicContact CB-CG1 4.05Å; N1295-V1344 HydrophobicContact CB-CG2 4.28Å; N1295-F1345 VanDerWaalsContact O-CZ 3.24Å; N1295-F1345 WeakPolarHBondContact O-CZ 3.3Å
1296	S	90.9	Very high	90.4	Very high	16 Å²	16	35.6 Å²	35.6	11%	0.112	18%	0.183	C	C	.	.			trans	-71.6	130.2	179.5	176.1	0	0	0	0	112	K1292 R1293 L1298 D1301 K1437	K1292-S1296 WeakPolarHBondContact O-CB 3.48Å; K1292-S1296 PolarHBondContact O-N 3.01Å; R1293-S1296 VanDerWaalsContact O-CB 3.3Å; R1293-S1296 WeakPolarHBondContact O-CB 3.38Å; R1293-S1296 PolarHBondContact O-N 3.24Å; R1293-S1296 VanDerWaalsContact O-N 3.11Å; S1296-L1298 VanDerWaalsContact C-N 3.28Å; S1296-L1298 WeakPolarHBondContact OG-CB 3.16Å; S1296-L1298 WeakPolarHBondContact OG-CG 3.25Å; S1296-L1298 PolarHBondContact OG-N 3.01Å; S1296-D1301 WeakPolarHBondContact CB-OD2 3.3Å; S1296-D1301 PolarHBondContact OG-OD2 2.78Å; S1296-K1437 PolarHBondContact O-NZ 3.4Å
1297	P	90.3	Very high	91.1	Very high	43 Å²	43	26.4 Å²	26.4	28%	0.279	14%	0.143	S	C	.	.			trans	-85.3	3.8	171.1	36.6	-36.9	0	0	0	113	T1271 L1274 F1345	T1271-P1297 WeakPolarHBondContact CB-O 3.41Å; T1271-P1297 WeakPolarHBondContact CG2-O 3.43Å; T1271-P1297 PolarHBondContact OG1-O 3.14Å; T1271-P1297 VanDerWaalsContact OG1-O 3.09Å; L1274-P1297 HydrophobicContact CD1-CG 4.05Å; L1274-P1297 HydrophobicContact CD2-CB 4.23Å; L1274-P1297 HydrophobicContact CD2-CG 4.17Å; L1274-P1297 HydrophobicContact CG-CB 4.16Å; L1274-P1297 HydrophobicContact CG-CG 4.09Å; P1297-F1345 HydrophobicContact CB-CE1 4.17Å
1298	L	91.8	Very high	91.5	Very high	101 Å²	101	24.9 Å²	24.9	53%	0.529	14%	0.135	S	C	.	.			trans	-71	145.2	-175.4	-62.9	175.7	0	0	0	112.1	S1296 S1300 D1301 S1302	S1296-L1298 VanDerWaalsContact C-N 3.28Å; S1296-L1298 WeakPolarHBondContact OG-CB 3.16Å; S1296-L1298 WeakPolarHBondContact OG-CG 3.25Å; S1296-L1298 PolarHBondContact OG-N 3.01Å; L1298-S1300 PolarHBondContact O-N 3.49Å; L1298-D1301 PolarHBondContact O-N 3.27Å; L1298-S1302 PolarHBondContact O-N 2.89Å
1299	I	92.7	Very high	91.3	Very high	39 Å²	39	26.2 Å²	26.2	20%	0.2	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-59.7	-34.8	176.7	-171.5	63.8	0	0	0	111.7	N1244 K1246 T1271 D1301 S1302	N1244-I1299 HydrophobicContact CB-CD1 3.99Å; K1246-I1299 HydrophobicContact CG-CG1 4.21Å; K1246-I1299 WeakPolarHBondContact CG-O 3.46Å; T1271-I1299 HydrophobicContact CG2-CB 4.07Å; T1271-I1299 HydrophobicContact CG2-CD1 3.97Å; I1299-D1301 PolarHBondContact O-N 3.05Å; I1299-S1302 VanDerWaalsContact O-CB 3.28Å; I1299-S1302 WeakPolarHBondContact O-CB 3.38Å; I1299-S1302 PolarHBondContact O-N 3.32Å; I1299-S1302 VanDerWaalsContact O-N 3.14Å; I1299-S1302 PolarHBondContact O-OG 3.21Å
1300	S	92.1	Very high	90.9	Very high	50 Å²	50	26 Å²	26	35%	0.35	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-60.1	-29.4	176.2	50.1	0	0	0	0	113.5	L1298	L1298-S1300 PolarHBondContact O-N 3.49Å
1301	D	93.3	Very high	90.3	Very high	14 Å²	14	26 Å²	26	8%	0.075	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-100.8	16.3	-179.8	-62.7	-46.4	0	0	0	112.6	R1293 S1296 L1298 I1299 V1303 L1304 K1437	R1293-D1301 IonicContact CZ-OD1 2.75Å; R1293-D1301 IonicContact NE-OD1 3.81Å; R1293-D1301 PolarHBondContact NE-OD1 3.35Å; R1293-D1301 IonicContact NH2-OD1 3.11Å; R1293-D1301 PolarHBondContact NH2-OD1 2.86Å; S1296-D1301 WeakPolarHBondContact CB-OD2 3.3Å; S1296-D1301 PolarHBondContact OG-OD2 2.78Å; L1298-D1301 PolarHBondContact O-N 3.27Å; I1299-D1301 PolarHBondContact O-N 3.05Å; D1301-V1303 PolarHBondContact O-N 3.26Å; D1301-L1304 HydrophobicContact CB-CD2 4.17Å; D1301-K1437 VanDerWaalsContact O-CE 3.26Å; D1301-K1437 WeakPolarHBondContact O-CE 3.21Å
1302	S	95	Very high	89.1	Confident	3 Å²	3	31.1 Å²	31.1	2%	0.021	16%	0.162	C	C	.	.	S	Bend	trans	-66.6	-24.9	175.7	-63.5	0	0	0	0	113	N1244 L1298 I1299 H1436 K1437 L1438	N1244-S1302 WeakPolarHBondContact ND2-CB 3.47Å; N1244-S1302 PolarHBondContact ND2-OG 3.5Å; L1298-S1302 PolarHBondContact O-N 2.89Å; I1299-S1302 VanDerWaalsContact O-CB 3.28Å; I1299-S1302 WeakPolarHBondContact O-CB 3.38Å; I1299-S1302 PolarHBondContact O-N 3.32Å; I1299-S1302 VanDerWaalsContact O-N 3.14Å; I1299-S1302 PolarHBondContact O-OG 3.21Å; S1302-H1436 WeakPolarHBondContact CB-O 3.3Å; S1302-H1436 PolarHBondContact OG-O 3.49Å; S1302-K1437 CarbonylContact O-C 3.49Å; S1302-K1437 VanDerWaalsContact O-CA 3.3Å; S1302-K1437 WeakPolarHBondContact O-CA 3.31Å; S1302-L1438 PolarHBondContact O-N 3.09Å
1303	V	96.8	Very high	87.7	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	120.8	175.6	174.7	0	0	0	0	107.3	K1246 I1247 L1250 D1301 L1438 I1467 I1471 G1473	K1246-V1303 HydrophobicContact CB-CG2 4.37Å; I1247-V1303 HydrophobicContact CB-CG2 4.33Å; I1247-V1303 HydrophobicContact CG1-CG2 3.64Å; L1250-V1303 HydrophobicContact CD1-CG1 3.89Å; L1250-V1303 HydrophobicContact CD1-CG2 4Å; L1250-V1303 HydrophobicContact CD2-CG1 4.44Å; D1301-V1303 PolarHBondContact O-N 3.26Å; V1303-L1438 WeakPolarHBondContact CA-O 3.2Å; V1303-I1467 HydrophobicContact CG1-CD1 4.35Å; V1303-I1467 HydrophobicContact CG1-CG1 4.32Å; V1303-I1471 HydrophobicContact CB-CD1 4.32Å; V1303-I1471 HydrophobicContact CB-CG2 4.01Å; V1303-I1471 HydrophobicContact CG1-CD1 4.19Å; V1303-I1471 HydrophobicContact CG1-CG2 4.41Å; V1303-I1471 HydrophobicContact CG2-CD1 4.42Å; V1303-G1473 VanDerWaalsContact O-CA 3.28Å; V1303-G1473 WeakPolarHBondContact O-CA 3.47Å
1304	L	96.1	Very high	85.8	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	133.4	177.3	-62.3	174.7	0	0	0	109.8	R1293 V1294 D1301 L1438 I1439 I1440 G1473	R1293-L1304 HydrophobicContact CB-CD1 4.16Å; R1293-L1304 HydrophobicContact CB-CD2 4.11Å; R1293-L1304 WeakPolarHBondContact O-CD1 3.31Å; V1294-L1304 HydrophobicContact CG2-CD1 4.13Å; D1301-L1304 HydrophobicContact CB-CD2 4.17Å; L1304-L1438 PolarHBondContact N-O 3.5Å; L1304-I1439 HydrophobicContact CB-CG1 4.49Å; L1304-I1439 HydrophobicContact CB-CG2 4.4Å; L1304-I1439 HydrophobicContact CD1-CG1 4.5Å; L1304-I1439 CarbonylContact O-C 3.55Å; L1304-I1439 WeakPolarHBondContact O-CA 2.82Å; L1304-I1440 PolarHBondContact O-N 3.09Å; L1304-G1473 CarbonylContact C-O 3.4Å; L1304-G1473 WeakPolarHBondContact CA-O 3.42Å
1305	L	94.6	Very high	83.4	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	106.1	169.6	174.4	58.8	0	0	0	107.7	I1440 T1444 F1464 I1467 G1473 Y1474 E1475	L1305-I1440 CarbonylContact C-O 3.6Å; L1305-I1440 WeakPolarHBondContact CA-O 3.36Å; L1305-I1440 HydrophobicContact CD1-CB 3.95Å; L1305-I1440 HydrophobicContact CD1-CG2 3.75Å; L1305-T1444 HydrophobicContact CD2-CG2 3.96Å; L1305-T1444 HydrophobicContact CG-CG2 4.45Å; L1305-F1464 HydrophobicContact CD1-CD1 4.24Å; L1305-F1464 HydrophobicContact CD1-CE1 4.04Å; L1305-F1464 HydrophobicContact CD2-CB 4.16Å; L1305-F1464 HydrophobicContact CD2-CD1 3.49Å; L1305-F1464 VanDerWaalsContact CD2-CD1 3.49Å; L1305-F1464 HydrophobicContact CD2-CE1 4.13Å; L1305-F1464 HydrophobicContact CD2-CG 3.98Å; L1305-I1467 HydrophobicContact CB-CD1 4.4Å; L1305-I1467 HydrophobicContact CB-CG2 4Å; L1305-I1467 HydrophobicContact CD2-CD1 4.43Å; L1305-G1473 PolarHBondContact N-O 3.49Å; L1305-Y1474 HydrophobicContact CB-CD2 4.32Å; L1305-Y1474 HydrophobicContact CD2-CD2 3.85Å; L1305-Y1474 HydrophobicContact CD2-CE2 4.25Å; L1305-Y1474 HydrophobicContact CG-CD2 4.01Å; L1305-Y1474 HydrophobicContact CG-CE2 4.45Å; L1305-E1475 PolarHBondContact O-N 3.21Å
1306	L	93.7	Very high	80.9	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	98.4	175.8	-56	-175	0	0	0	108.5	W1290 V1294 T1308 I1337 I1439 I1440 I1441 G1442 E1475 L1477	W1290-L1306 HydrophobicContact CB-CD2 4.37Å; W1290-L1306 HydrophobicContact CE3-CD1 4.21Å; W1290-L1306 HydrophobicContact CZ3-CD1 4.43Å; V1294-L1306 HydrophobicContact CG2-CD1 4.11Å; L1306-T1308 PolarHBondContact O-N 2.91Å; L1306-I1337 HydrophobicContact CD1-CD1 3.68Å; L1306-I1439 HydrophobicContact CD1-CG2 3.73Å; L1306-I1439 HydrophobicContact CG-CG2 3.96Å; L1306-I1440 PolarHBondContact N-O 3.12Å; L1306-I1441 HydrophobicContact CB-CG1 4.41Å; L1306-I1441 HydrophobicContact CD1-CG1 4.25Å; L1306-G1442 PolarHBondContact O-N 3.3Å; L1306-E1475 HydrophobicContact CD2-CB 4.01Å; L1306-L1477 HydrophobicContact CB-CD1 4.08Å; L1306-L1477 HydrophobicContact CB-CD2 4.49Å; L1306-L1477 HydrophobicContact CB-CG 4.26Å
1307	D	89.9	Confident	78.4	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	118.7	-177.7	-168.9	-2.7	0	0	0	111	K1309 G1442 C1443 T1444 Y1474 E1475 L1477	D1307-K1309 VanDerWaalsContact C-N 3.3Å; D1307-K1309 PolarHBondContact O-N 3.47Å; D1307-K1309 VanDerWaalsContact OD1-CB 3.24Å; D1307-K1309 WeakPolarHBondContact OD1-CB 3.38Å; D1307-K1309 PolarHBondContact OD1-N 3.44Å; D1307-G1442 WeakPolarHBondContact CA-O 3.29Å; D1307-C1443 WeakPolarHBondContact OD1-CA 3.21Å; D1307-T1444 HydrophobicContact CB-CG2 4.22Å; D1307-T1444 PolarHBondContact OD1-N 3.47Å; D1307-T1444 PolarHBondContact OD2-OG1 2.98Å; D1307-Y1474 HydrophobicContact CB-CE2 3.78Å; D1307-Y1474 PolarHBondContact OD2-OH 3.42Å; D1307-E1475 PolarHBondContact N-O 3.25Å; D1307-L1477 PolarHBondContact O-N 2.71Å
1308	T	87.7	Confident	75.8	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.006	27%	0.272	C	S	.	.			trans	-88.2	9.7	178.9	64	0	0	0	0	113.9	L1306 M1310 L1311 E1330 L1333 I1441 G1442 C1443 L1477	L1306-T1308 PolarHBondContact O-N 2.91Å; T1308-M1310 PolarHBondContact O-N 3Å; T1308-M1310 VanDerWaalsContact O-N 3.1Å; T1308-L1311 HydrophobicContact CG2-CD1 3.7Å; T1308-L1311 WeakPolarHBondContact O-CB 3.47Å; T1308-L1311 PolarHBondContact O-N 3.15Å; T1308-E1330 HydrophobicContact CG2-CG 4.3Å; T1308-L1333 HydrophobicContact CG2-CD2 4.47Å; T1308-I1441 HydrophobicContact CG2-CG2 3.97Å; T1308-G1442 PolarHBondContact N-O 3.25Å; T1308-G1442 VanDerWaalsContact N-O 3.07Å; T1308-G1442 WeakPolarHBondContact OG1-CA 2.97Å; T1308-C1443 PolarHBondContact OG1-N 3.45Å; T1308-L1477 HydrophobicContact CG2-CD1 4.11Å
1309	K	81.9	Confident	73.1	Confident	63 Å²	63	49.6 Å²	49.6	27%	0.274	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-33.5	-177.7	-178.3	178.4	177.8	176	0	115.6	D1307 G1445	D1307-K1309 VanDerWaalsContact C-N 3.3Å; D1307-K1309 PolarHBondContact O-N 3.47Å; D1307-K1309 VanDerWaalsContact OD1-CB 3.24Å; D1307-K1309 WeakPolarHBondContact OD1-CB 3.38Å; D1307-K1309 PolarHBondContact OD1-N 3.44Å; K1309-G1445 WeakPolarHBondContact CD-O 3.2Å; K1309-G1445 WeakPolarHBondContact CE-O 3.01Å; K1309-G1445 PolarHBondContact NZ-O 3.03Å
1310	M	79.7	Confident	70.2	Confident	105 Å²	105	55.5 Å²	55.5	52%	0.517	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-4.6	-178.9	-63.7	-71.2	145.6	0	0	113.6	T1308 T1476 L1477 S1479	T1308-M1310 PolarHBondContact O-N 3Å; T1308-M1310 VanDerWaalsContact O-N 3.1Å; M1310-T1476 HydrophobicContact CG-CG2 3.81Å; M1310-L1477 WeakPolarHBondContact CB-O 3.5Å; M1310-S1479 VanDerWaalsContact O-CA 3.28Å; M1310-S1479 WeakPolarHBondContact O-CA 3.48Å; M1310-S1479 VanDerWaalsContact O-CB 3.22Å; M1310-S1479 WeakPolarHBondContact O-CB 3.4Å
1311	L	76.9	Confident	67.4	Low	9 Å²	9	59 Å²	59	5%	0.047	34%	0.335	C	S	.	.	S	Bend	trans	-81.4	132.2	179	-80.4	155.6	0	0	0	110.4	T1308 C1313 T1329 L1477 V1482	T1308-L1311 HydrophobicContact CG2-CD1 3.7Å; T1308-L1311 WeakPolarHBondContact O-CB 3.47Å; T1308-L1311 PolarHBondContact O-N 3.15Å; L1311-C1313 PolarHBondContact O-N 2.89Å; L1311-C1313 VanDerWaalsContact O-N 3.12Å; L1311-T1329 HydrophobicContact CD2-CG2 4.33Å; L1311-L1477 HydrophobicContact CD1-CB 3.91Å; L1311-L1477 HydrophobicContact CD1-CD1 3.67Å; L1311-L1477 HydrophobicContact CD1-CG 4.47Å; L1311-L1477 HydrophobicContact CG-CB 4.43Å; L1311-V1482 HydrophobicContact CD2-CG2 3.37Å
1312	D	65.6	Low	64.8	Low	106 Å²	106	65.1 Å²	65.1	57%	0.567	36%	0.357	S	S	*	.			trans	-78.8	93.3	168.9	-170.8	5.5	0	0	0	109.3	C1314	D1312-C1314 PolarHBondContact O-N 3.18Å; D1312-C1314 PolarHBondContact OD1-N 2.97Å
1313	C	58.3	Low	62.3	Low	12 Å²	12	72 Å²	72	8%	0.081	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	0.1	-177	-57.3	0	0	0	0	113.8	L1311 T1329 C1400 P1401	L1311-C1313 PolarHBondContact O-N 2.89Å; L1311-C1313 VanDerWaalsContact O-N 3.12Å; C1313-T1329 WeakPolarHBondContact CA-OG1 3.47Å; C1313-C1400 HydrophobicContact CB-CB 4.37Å; C1313-C1400 VanDerWaalsContact CB-SG 3.54Å; C1313-P1401 VanDerWaalsContact SG-CD 3.51Å
1314	C	51	Low	60.4	Low	66 Å²	66	74.7 Å²	74.7	45%	0.446	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	8.8	-161.5	-103.4	0	0	0	0	117.5	D1312 F1316 S1402	D1312-C1314 PolarHBondContact O-N 3.18Å; D1312-C1314 PolarHBondContact OD1-N 2.97Å; C1314-F1316 PolarHBondContact O-N 3.27Å; C1314-F1316 VanDerWaalsContact O-N 3.09Å; C1314-S1402 PolarHBondContact SG-OG 2.81Å
1315	S	41.9	Very low	59.1	Low	86 Å²	86	78.6 Å²	78.6	60%	0.601	44%	0.439	S	S	*	.	S	Bend	trans	-72.2	-1.7	-174.7	-34.7	0	0	0	0	115.6
1316	F	39.3	Very low	58.4	Low	183 Å²	183	80 Å²	80	80%	0.803	45%	0.449	S	S	*	.	S	Bend	trans	-134.2	124.5	176	-69.7	-85.5	0	0	0	111.9	C1314	C1314-F1316 PolarHBondContact O-N 3.27Å; C1314-F1316 VanDerWaalsContact O-N 3.09Å
1317	S	37.3	Very low	58	Low	90 Å²	90	80 Å²	80	63%	0.629	45%	0.449	S	S	*	.			trans	77.8	82.8	176.8	86.1	0	0	0	0	117.8
1318	A	37.2	Very low	57.9	Low	69 Å²	69	83 Å²	83	57%	0.57	47%	0.468	S	S	*	.			trans	-91.6	-6.3	170.1	0	0	0	0	0	114.6
1319	N	33.4	Very low	57.8	Low	144 Å²	144	83.9 Å²	83.9	77%	0.77	47%	0.474	S	S	*	.	S	Bend	trans	-132.3	86.9	-172.2	-69.5	-11	0	0	0	110.7
1320	E	32.4	Very low	58.2	Low	164 Å²	164	81 Å²	81	77%	0.766	46%	0.461	S	S	*	.	S	Bend	trans	178.3	138.3	152.4	-101.7	162.9	-153.5	0	0	108.7	R1322	E1320-R1322 PolarHBondContact O-N 3.16Å
1321	S	33.5	Very low	58.7	Low	123 Å²	123	76 Å²	76	86%	0.86	44%	0.436	S	S	*	.			trans	-62.6	71.9	174.7	42.4	0	0	0	0	111.7	T1323	S1321-T1323 PolarHBondContact O-N 3.32Å
1322	R	38.1	Very low	59.3	Low	143 Å²	143	78.3 Å²	78.3	54%	0.54	45%	0.447	S	S	.	.			trans	-77.4	105.2	176.8	-75.8	-172.5	165.9	-165.2	-3.9	109.7	E1320 S1324	E1320-R1322 PolarHBondContact O-N 3.16Å; R1322-S1324 PolarHBondContact O-N 2.75Å
1323	T	43.7	Very low	60.5	Low	148 Å²	148	73.5 Å²	73.5	91%	0.908	42%	0.421	S	S	*	.			trans	-69.4	-0.3	168.4	49.8	0	0	0	0	113.4	S1321	S1321-T1323 PolarHBondContact O-N 3.32Å
1324	S	56	Low	62.2	Low	55 Å²	55	72.9 Å²	72.9	39%	0.385	42%	0.417	S	S	.	.	S	Bend	trans	-122.4	118.6	-171.3	68	0	0	0	0	112.8	R1322 S1326	R1322-S1324 PolarHBondContact O-N 2.75Å; S1324-S1326 PolarHBondContact O-N 2.98Å
1325	N	69.7	Low	64.2	Low	84 Å²	84	70.3 Å²	70.3	45%	0.449	40%	0.399	S	S	.	.			trans	-74.5	117.9	179	-66.9	-10.2	0	0	0	111.3	Y1358	N1325-Y1358 HydrophobicContact CB-CD1 3.83Å; N1325-Y1358 HydrophobicContact CB-CD2 3.85Å; N1325-Y1358 HydrophobicContact CB-CE1 4.03Å; N1325-Y1358 HydrophobicContact CB-CE2 4.06Å; N1325-Y1358 HydrophobicContact CB-CG 3.74Å; N1325-Y1358 WeakPolarHBondContact ND2-CE1 3.28Å; N1325-Y1358 WeakPolarHBondContact O-CB 3.49Å
1326	S	79.8	Confident	66.5	Low	30 Å²	30	66.7 Å²	66.7	21%	0.21	37%	0.372	C	S	.	.			trans	-144.9	145.6	170.1	62	0	0	0	0	108.9	S1324	S1324-S1326 PolarHBondContact O-N 2.98Å
1327	N	85.6	Confident	69.1	Low	0 Å²	0	58 Å²	58	0%	0	33%	0.334	C	S	.	.			trans	-123.5	98.6	178.9	-175.3	-16.8	0	0	0	109.1	T1329 E1330 A1331 Q1361 T1398 N1399	N1327-T1329 PolarHBondContact O-N 3.34Å; N1327-T1329 VanDerWaalsContact OD1-CB 3.3Å; N1327-T1329 WeakPolarHBondContact OD1-CB 3.41Å; N1327-T1329 PolarHBondContact OD1-N 3.06Å; N1327-E1330 HydrophobicContact CB-CB 4.1Å; N1327-E1330 HydrophobicContact CB-CG 4.35Å; N1327-E1330 WeakPolarHBondContact ND2-CG 3.32Å; N1327-E1330 PolarHBondContact ND2-OE1 2.94Å; N1327-E1330 PolarHBondContact O-N 3.25Å; N1327-E1330 PolarHBondContact OD1-N 3.21Å; N1327-E1330 VanDerWaalsContact OD1-N 3.14Å; N1327-A1331 PolarHBondContact O-N 2.98Å; N1327-Q1361 PolarHBondContact O-NE2 3.23Å; N1327-Q1361 VanDerWaalsContact O-NE2 3.11Å; N1327-Q1361 PolarHBondContact O-OE1 2.82Å; N1327-T1398 HydrophobicContact CB-CG2 3.98Å; N1327-N1399 PolarHBondContact ND2-O 2.79Å
1328	P	86	Confident	71.8	Confident	61 Å²	61	53.7 Å²	53.7	40%	0.396	30%	0.304	S	S	.	.	H	α-helix	trans	-59.3	-33.3	177.1	-23.8	33.9	0	0	0	113.9	A1331 Q1332 L1364	P1328-A1331 PolarHBondContact O-N 3.26Å; P1328-Q1332 WeakPolarHBondContact O-CB 3.32Å; P1328-Q1332 PolarHBondContact O-N 2.98Å; P1328-L1364 HydrophobicContact CB-CD2 4.32Å; P1328-L1364 HydrophobicContact CG-CD2 4.17Å
1329	T	85.8	Confident	74.3	Confident	21 Å²	21	53.1 Å²	53.1	13%	0.129	29%	0.289	C	S	.	.	H	α-helix	trans	-66.5	-46	179.8	-50.5	0	0	0	0	111.1	L1311 C1313 N1327 A1331 Q1332 L1333 V1482	L1311-T1329 HydrophobicContact CD2-CG2 4.33Å; C1313-T1329 WeakPolarHBondContact CA-OG1 3.47Å; N1327-T1329 PolarHBondContact O-N 3.34Å; N1327-T1329 VanDerWaalsContact OD1-CB 3.3Å; N1327-T1329 WeakPolarHBondContact OD1-CB 3.41Å; N1327-T1329 PolarHBondContact OD1-N 3.06Å; T1329-A1331 VanDerWaalsContact C-N 3.34Å; T1329-Q1332 PolarHBondContact O-N 3.45Å; T1329-L1333 WeakPolarHBondContact O-CB 3.37Å; T1329-L1333 PolarHBondContact O-N 2.93Å; T1329-V1482 HydrophobicContact CG2-CG2 3.6Å
1330	E	90.4	Very high	76.9	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-63.5	-40	171.9	-80.8	-175.6	-145	0	0	111.8	T1308 N1327 Q1332 L1333 I1334 S1396 T1398 N1399 I1441	T1308-E1330 HydrophobicContact CG2-CG 4.3Å; N1327-E1330 HydrophobicContact CB-CB 4.1Å; N1327-E1330 HydrophobicContact CB-CG 4.35Å; N1327-E1330 WeakPolarHBondContact ND2-CG 3.32Å; N1327-E1330 PolarHBondContact ND2-OE1 2.94Å; N1327-E1330 PolarHBondContact O-N 3.25Å; N1327-E1330 PolarHBondContact OD1-N 3.21Å; N1327-E1330 VanDerWaalsContact OD1-N 3.14Å; E1330-Q1332 VanDerWaalsContact C-N 3.34Å; E1330-Q1332 PolarHBondContact O-N 2.99Å; E1330-L1333 PolarHBondContact O-N 3.23Å; E1330-I1334 WeakPolarHBondContact O-CB 3.34Å; E1330-I1334 WeakPolarHBondContact O-CD1 3.39Å; E1330-I1334 WeakPolarHBondContact O-CG1 3.45Å; E1330-I1334 PolarHBondContact O-N 2.96Å; E1330-S1396 PolarHBondContact OE2-OG 2.92Å; E1330-T1398 WeakPolarHBondContact OE1-CA 3.49Å; E1330-T1398 PolarHBondContact OE1-N 3.1Å; E1330-T1398 WeakPolarHBondContact OE2-CA 3.19Å; E1330-T1398 PolarHBondContact OE2-N 3.39Å; E1330-N1399 PolarHBondContact OE1-N 3.26Å; E1330-I1441 HydrophobicContact CG-CG2 3.97Å
1331	A	90.1	Very high	79.6	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.1	-40.9	179.8	0	0	0	0	0	112.1	N1327 P1328 T1329 I1334 L1335 L1364 L1365 M1368	N1327-A1331 PolarHBondContact O-N 2.98Å; P1328-A1331 PolarHBondContact O-N 3.26Å; T1329-A1331 VanDerWaalsContact C-N 3.34Å; A1331-I1334 PolarHBondContact O-N 3.24Å; A1331-L1335 PolarHBondContact O-N 3.39Å; A1331-L1364 HydrophobicContact CB-CD2 3.87Å; A1331-L1364 HydrophobicContact CB-CG 4.06Å; A1331-L1365 HydrophobicContact CB-CD2 3.83Å; A1331-L1365 HydrophobicContact CB-CG 4.25Å; A1331-M1368 HydrophobicContact CB-CE 4.45Å; A1331-M1368 HydrophobicContact CB-SD 3.65Å
1332	Q	89.8	Confident	82.2	Confident	58 Å²	58	38.5 Å²	38.5	27%	0.271	20%	0.202	S	C	.	.	H	α-helix	trans	-66.3	-42.7	174.5	-171.6	174.9	15.5	0	0	112.1	P1328 T1329 E1330 I1334 L1335 Y1336 M1368 N1486	P1328-Q1332 WeakPolarHBondContact O-CB 3.32Å; P1328-Q1332 PolarHBondContact O-N 2.98Å; T1329-Q1332 PolarHBondContact O-N 3.45Å; E1330-Q1332 VanDerWaalsContact C-N 3.34Å; E1330-Q1332 PolarHBondContact O-N 2.99Å; Q1332-I1334 VanDerWaalsContact C-N 3.32Å; Q1332-I1334 PolarHBondContact O-N 3.19Å; Q1332-L1335 PolarHBondContact O-N 3Å; Q1332-Y1336 PolarHBondContact O-N 2.91Å; Q1332-M1368 HydrophobicContact CB-CE 4.22Å; Q1332-N1486 PolarHBondContact NE2-OD1 2.85Å
1333	L	91.4	Very high	84.5	Confident	5 Å²	5	36.6 Å²	36.6	3%	0.026	20%	0.199	C	C	.	.	H	α-helix	trans	-59.8	-42.8	175.2	178.1	65.3	0	0	0	111.7	W1290 T1308 T1329 E1330 Y1336 I1337 I1441 L1477 T1481 I1485	W1290-L1333 HydrophobicContact CH2-CD1 3.69Å; W1290-L1333 HydrophobicContact CZ3-CD1 3.87Å; T1308-L1333 HydrophobicContact CG2-CD2 4.47Å; T1329-L1333 WeakPolarHBondContact O-CB 3.37Å; T1329-L1333 PolarHBondContact O-N 2.93Å; E1330-L1333 PolarHBondContact O-N 3.23Å; L1333-Y1336 PolarHBondContact O-N 3.45Å; L1333-I1337 HydrophobicContact CD1-CD1 4.09Å; L1333-I1337 HydrophobicContact CD1-CG1 4.42Å; L1333-I1337 HydrophobicContact CG-CD1 3.87Å; L1333-I1337 WeakPolarHBondContact O-CB 3.18Å; L1333-I1337 VanDerWaalsContact O-CG1 3.26Å; L1333-I1337 WeakPolarHBondContact O-CG1 3.23Å; L1333-I1337 PolarHBondContact O-N 3.16Å; L1333-I1441 HydrophobicContact CD2-CG2 3.57Å; L1333-L1477 HydrophobicContact CD1-CD1 4.42Å; L1333-L1477 HydrophobicContact CD2-CD1 3.43Å; L1333-L1477 VanDerWaalsContact CD2-CD1 3.43Å; L1333-T1481 HydrophobicContact CD1-CG2 4.49Å; L1333-I1485 HydrophobicContact CD1-CD1 3.7Å
1334	I	94	Very high	86.7	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.2	-44.8	176.5	-73.8	159.6	0	0	0	111.1	E1330 A1331 Q1332 I1337 I1338 V1354 L1365 M1369 L1394 I1441	E1330-I1334 WeakPolarHBondContact O-CB 3.34Å; E1330-I1334 WeakPolarHBondContact O-CD1 3.39Å; E1330-I1334 WeakPolarHBondContact O-CG1 3.45Å; E1330-I1334 PolarHBondContact O-N 2.96Å; A1331-I1334 PolarHBondContact O-N 3.24Å; Q1332-I1334 VanDerWaalsContact C-N 3.32Å; Q1332-I1334 PolarHBondContact O-N 3.19Å; I1334-I1337 PolarHBondContact O-N 2.86Å; I1334-I1338 HydrophobicContact CG2-CD1 3.86Å; I1334-I1338 WeakPolarHBondContact O-CB 3.18Å; I1334-I1338 WeakPolarHBondContact O-CG1 3.37Å; I1334-I1338 PolarHBondContact O-N 2.95Å; I1334-V1354 HydrophobicContact CD1-CG1 4.4Å; I1334-V1354 HydrophobicContact CG2-CG1 4.2Å; I1334-V1354 HydrophobicContact CG2-CG2 4.13Å; I1334-L1365 HydrophobicContact CB-CD2 4.08Å; I1334-L1365 HydrophobicContact CD1-CD1 4.32Å; I1334-L1365 HydrophobicContact CD1-CD2 4.02Å; I1334-L1365 HydrophobicContact CG2-CD2 3.79Å; I1334-M1369 HydrophobicContact CG2-CE 3.91Å; I1334-L1394 HydrophobicContact CG2-CD1 3.91Å; I1334-I1441 HydrophobicContact CD1-CD1 4.38Å; I1334-I1441 HydrophobicContact CG1-CD1 3.51Å
1335	L	92.1	Very high	88.4	Confident	12 Å²	12	27.4 Å²	27.4	6%	0.063	14%	0.14	C	C	.	.	H	α-helix	trans	-61.1	-44.9	177.2	-179.8	65.8	0	0	0	111.6	A1331 Q1332 I1338 K1339 M1368 M1369 N1372 F1374	A1331-L1335 PolarHBondContact O-N 3.39Å; Q1332-L1335 PolarHBondContact O-N 3Å; L1335-I1338 PolarHBondContact O-N 3.43Å; L1335-K1339 WeakPolarHBondContact O-CG 3.44Å; L1335-K1339 PolarHBondContact O-N 2.88Å; L1335-M1368 HydrophobicContact CD2-CE 4.21Å; L1335-M1369 HydrophobicContact CB-CE 4.27Å; L1335-M1369 HydrophobicContact CD1-CE 4Å; L1335-M1369 HydrophobicContact CD1-SD 3.74Å; L1335-N1372 HydrophobicContact CD1-CB 3.9Å; L1335-N1372 HydrophobicContact CD2-CB 4.48Å; L1335-N1372 WeakPolarHBondContact CD2-ND2 3.48Å; L1335-F1374 HydrophobicContact CD1-CD2 4.1Å; L1335-F1374 HydrophobicContact CD1-CE2 4.49Å
1336	Y	91.5	Very high	89.3	Confident	10 Å²	10	28.4 Å²	28.4	4%	0.039	15%	0.145	C	C	.	.	H	α-helix	trans	-61.2	-46.9	176	-178.9	-95.7	0	0	0	112	W1290 I1291 Q1332 L1333 I1338 K1339 Q1340 W1484 I1485	W1290-Y1336 HydrophobicContact CH2-CD1 4.35Å; W1290-Y1336 HydrophobicContact CH2-CE1 4.37Å; I1291-Y1336 HydrophobicContact CD1-CD1 4.23Å; I1291-Y1336 HydrophobicContact CD1-CE1 3.68Å; I1291-Y1336 HydrophobicContact CG1-CE1 4.31Å; Q1332-Y1336 PolarHBondContact O-N 2.91Å; L1333-Y1336 PolarHBondContact O-N 3.45Å; Y1336-I1338 VanDerWaalsContact C-N 3.28Å; Y1336-I1338 PolarHBondContact O-N 3.07Å; Y1336-K1339 PolarHBondContact O-N 3.36Å; Y1336-Q1340 HydrophobicContact CD1-CG 4.14Å; Y1336-Q1340 HydrophobicContact CE1-CG 3.67Å; Y1336-Q1340 HydrophobicContact CE2-CG 4.45Å; Y1336-Q1340 WeakPolarHBondContact O-CG 3.34Å; Y1336-Q1340 PolarHBondContact O-N 2.96Å; Y1336-W1484 HydrophobicContact CE1-CH2 4.3Å; Y1336-W1484 AromaticContact CE1-CZ3 3.75Å; Y1336-W1484 HydrophobicContact CE1-CZ3 3.75Å; Y1336-W1484 AromaticContact CZ-CH2 3.99Å; Y1336-W1484 AromaticContact CZ-CZ3 3.64Å; Y1336-W1484 WeakPolarHBondContact OH-CH2 3.11Å; Y1336-W1484 VanDerWaalsContact OH-CZ3 3.24Å; Y1336-W1484 WeakPolarHBondContact OH-CZ3 3.23Å; Y1336-I1485 HydrophobicContact CD1-CD1 4.31Å; Y1336-I1485 HydrophobicContact CD1-CG1 4.11Å; Y1336-I1485 HydrophobicContact CD2-CB 4.42Å; Y1336-I1485 HydrophobicContact CD2-CG1 4.25Å; Y1336-I1485 HydrophobicContact CD2-CG2 3.7Å; Y1336-I1485 HydrophobicContact CE1-CG1 4.44Å; Y1336-I1485 HydrophobicContact CE2-CG2 4.41Å; Y1336-I1485 HydrophobicContact CG-CD1 4.26Å; Y1336-I1485 HydrophobicContact CG-CG1 4.01Å; Y1336-I1485 HydrophobicContact CG-CG2 3.93Å
1337	I	93.3	Very high	89.8	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-58.2	-41.9	176.5	-72.3	167.5	0	0	0	110.8	W1290 V1294 L1306 L1333 I1334 Q1340 I1341 L1394 I1439 I1441	W1290-I1337 HydrophobicContact CZ3-CD1 4.49Å; W1290-I1337 HydrophobicContact CZ3-CG1 4.34Å; V1294-I1337 HydrophobicContact CG1-CG2 3.97Å; L1306-I1337 HydrophobicContact CD1-CD1 3.68Å; L1333-I1337 HydrophobicContact CD1-CD1 4.09Å; L1333-I1337 HydrophobicContact CD1-CG1 4.42Å; L1333-I1337 HydrophobicContact CG-CD1 3.87Å; L1333-I1337 WeakPolarHBondContact O-CB 3.18Å; L1333-I1337 VanDerWaalsContact O-CG1 3.26Å; L1333-I1337 WeakPolarHBondContact O-CG1 3.23Å; L1333-I1337 PolarHBondContact O-N 3.16Å; I1334-I1337 PolarHBondContact O-N 2.86Å; I1337-Q1340 PolarHBondContact O-N 3.13Å; I1337-I1341 HydrophobicContact CG2-CD1 3.45Å; I1337-I1341 VanDerWaalsContact CG2-CD1 3.45Å; I1337-I1341 HydrophobicContact CG2-CG1 4.14Å; I1337-I1341 VanDerWaalsContact O-CB 3.31Å; I1337-I1341 WeakPolarHBondContact O-CB 3.45Å; I1337-I1341 VanDerWaalsContact O-CG1 3.25Å; I1337-I1341 WeakPolarHBondContact O-CG1 3.45Å; I1337-I1341 PolarHBondContact O-N 3.44Å; I1337-L1394 HydrophobicContact CG2-CD1 4.19Å; I1337-L1394 HydrophobicContact CG2-CD2 4.03Å; I1337-I1439 HydrophobicContact CG2-CD1 4.19Å; I1337-I1441 HydrophobicContact CD1-CD1 3.68Å
1338	I	93.2	Very high	90	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63.1	-44.9	177.3	-77.1	166.7	0	0	0	111.5	I1334 L1335 Y1336 Q1340 I1341 H1342 I1352 V1354 M1369 F1374 I1377 L1394	I1334-I1338 HydrophobicContact CG2-CD1 3.86Å; I1334-I1338 WeakPolarHBondContact O-CB 3.18Å; I1334-I1338 WeakPolarHBondContact O-CG1 3.37Å; I1334-I1338 PolarHBondContact O-N 2.95Å; L1335-I1338 PolarHBondContact O-N 3.43Å; Y1336-I1338 VanDerWaalsContact C-N 3.28Å; Y1336-I1338 PolarHBondContact O-N 3.07Å; I1338-Q1340 VanDerWaalsContact C-N 3.33Å; I1338-Q1340 PolarHBondContact O-N 2.94Å; I1338-I1341 PolarHBondContact O-N 3.04Å; I1338-H1342 VanDerWaalsContact O-CB 3.22Å; I1338-H1342 WeakPolarHBondContact O-CB 3.37Å; I1338-H1342 PolarHBondContact O-N 3.14Å; I1338-I1352 HydrophobicContact CG1-CG2 4.48Å; I1338-V1354 HydrophobicContact CD1-CG2 3.98Å; I1338-M1369 HydrophobicContact CD1-CE 3.28Å; I1338-M1369 HydrophobicContact CD1-SD 3.9Å; I1338-F1374 HydrophobicContact CG2-CD1 3.85Å; I1338-F1374 HydrophobicContact CG2-CD2 4.5Å; I1338-F1374 HydrophobicContact CG2-CE1 3.92Å; I1338-F1374 HydrophobicContact CG2-CG 4.16Å; I1338-F1374 HydrophobicContact CG2-CZ 4.31Å; I1338-I1377 HydrophobicContact CD1-CD1 4.09Å; I1338-I1377 HydrophobicContact CG1-CD1 4.44Å; I1338-I1377 HydrophobicContact CG2-CD1 3.49Å; I1338-I1377 VanDerWaalsContact CG2-CD1 3.49Å; I1338-L1394 HydrophobicContact CD1-CD1 3.79Å; I1338-L1394 HydrophobicContact CG1-CD1 3.56Å
1339	K	90.3	Very high	90.2	Very high	56 Å²	56	29.4 Å²	29.4	24%	0.243	15%	0.148	C	C	.	.	H	α-helix	trans	-57.5	-46.5	176.3	-71.7	179.2	-178.9	-177.4	0	111.2	L1335 Y1336 H1343 N1372 F1374 E1489	L1335-K1339 WeakPolarHBondContact O-CG 3.44Å; L1335-K1339 PolarHBondContact O-N 2.88Å; Y1336-K1339 PolarHBondContact O-N 3.36Å; K1339-H1343 PolarHBondContact O-N 3.38Å; K1339-N1372 WeakPolarHBondContact CE-OD1 3.41Å; K1339-N1372 PolarHBondContact NZ-OD1 3.27Å; K1339-F1374 HydrophobicContact CG-CE2 3.75Å; K1339-F1374 HydrophobicContact CG-CZ 3.92Å; K1339-E1489 IonicContact NZ-OE1 3.43Å; K1339-E1489 PolarHBondContact NZ-OE1 3.31Å; K1339-E1489 IonicContact NZ-OE2 3.3Å
1340	Q	87.9	Confident	90.3	Very high	49 Å²	49	32 Å²	32	23%	0.229	16%	0.159	C	C	.	.	H	α-helix	trans	-65.1	-48.9	178.5	-68.9	-61.4	-38.6	0	0	112.5	Y1336 I1337 I1338 H1342 H1343 V1344	Y1336-Q1340 HydrophobicContact CD1-CG 4.14Å; Y1336-Q1340 HydrophobicContact CE1-CG 3.67Å; Y1336-Q1340 HydrophobicContact CE2-CG 4.45Å; Y1336-Q1340 WeakPolarHBondContact O-CG 3.34Å; Y1336-Q1340 PolarHBondContact O-N 2.96Å; I1337-Q1340 PolarHBondContact O-N 3.13Å; I1338-Q1340 VanDerWaalsContact C-N 3.33Å; I1338-Q1340 PolarHBondContact O-N 2.94Å; Q1340-H1342 VanDerWaalsContact C-N 3.34Å; Q1340-H1342 PolarHBondContact O-N 2.92Å; Q1340-H1343 WeakPolarHBondContact O-CB 3.49Å; Q1340-H1343 PolarHBondContact O-N 3.47Å; Q1340-V1344 WeakPolarHBondContact O-CB 3.36Å; Q1340-V1344 VanDerWaalsContact O-CG2 3.31Å; Q1340-V1344 WeakPolarHBondContact O-CG2 3.18Å; Q1340-V1344 PolarHBondContact O-N 3.47Å
1341	I	90.4	Very high	90.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.8	-40.2	-179.5	-73.9	178.3	0	0	0	111.5	V1294 I1337 I1338 H1343 V1344 F1345 L1347 I1352 L1392 I1439	V1294-I1341 HydrophobicContact CG1-CD1 4Å; V1294-I1341 HydrophobicContact CG1-CG1 3.94Å; I1337-I1341 HydrophobicContact CG2-CD1 3.45Å; I1337-I1341 VanDerWaalsContact CG2-CD1 3.45Å; I1337-I1341 HydrophobicContact CG2-CG1 4.14Å; I1337-I1341 VanDerWaalsContact O-CB 3.31Å; I1337-I1341 WeakPolarHBondContact O-CB 3.45Å; I1337-I1341 VanDerWaalsContact O-CG1 3.25Å; I1337-I1341 WeakPolarHBondContact O-CG1 3.45Å; I1337-I1341 PolarHBondContact O-N 3.44Å; I1338-I1341 PolarHBondContact O-N 3.04Å; I1341-H1343 VanDerWaalsContact C-N 3.27Å; I1341-H1343 PolarHBondContact O-N 3.32Å; I1341-V1344 PolarHBondContact O-N 2.96Å; I1341-F1345 HydrophobicContact CB-CD2 4.2Å; I1341-F1345 HydrophobicContact CG1-CD2 4.28Å; I1341-F1345 HydrophobicContact CG1-CE2 4.26Å; I1341-F1345 HydrophobicContact CG2-CD2 3.77Å; I1341-F1345 HydrophobicContact CG2-CE2 4.5Å; I1341-F1345 PolarHBondContact O-N 2.86Å; I1341-L1347 HydrophobicContact CG2-CD1 3.94Å; I1341-I1352 HydrophobicContact CG2-CD1 4.5Å; I1341-L1392 HydrophobicContact CB-CD2 4.44Å; I1341-L1392 HydrophobicContact CD1-CD1 4.36Å; I1341-L1392 HydrophobicContact CD1-CD2 3.51Å; I1341-L1392 HydrophobicContact CG2-CD2 3.5Å; I1341-L1392 VanDerWaalsContact CG2-CD2 3.5Å; I1341-I1439 HydrophobicContact CD1-CD1 3.79Å
1342	H	88	Confident	90.7	Very high	76 Å²	76	33.5 Å²	33.5	35%	0.352	17%	0.167	S	C	.	.	H	α-helix	trans	-65.4	-33.3	177.8	-178.9	-93.8	0	0	0	111.9	I1338 Q1340 M1349 F1374	I1338-H1342 VanDerWaalsContact O-CB 3.22Å; I1338-H1342 WeakPolarHBondContact O-CB 3.37Å; I1338-H1342 PolarHBondContact O-N 3.14Å; Q1340-H1342 VanDerWaalsContact C-N 3.34Å; Q1340-H1342 PolarHBondContact O-N 2.92Å; H1342-M1349 WeakPolarHBondContact CD2-CE 3.44Å; H1342-M1349 VanDerWaalsContact CD2-SD 3.58Å; H1342-M1349 WeakPolarHBondContact NE2-CE 3.42Å; H1342-F1374 HydrophobicContact CB-CE1 4.4Å
1343	H	86.5	Confident	91	Very high	103 Å²	103	30.8 Å²	30.8	48%	0.477	15%	0.154	S	C	.	.	H	α-helix	trans	-68.5	-46.7	170.7	-174.5	-90.8	0	0	0	111.3	E1282 K1339 Q1340 I1341	E1282-H1343 IonicContact OE2-CE1 3.49Å; K1339-H1343 PolarHBondContact O-N 3.38Å; Q1340-H1343 WeakPolarHBondContact O-CB 3.49Å; Q1340-H1343 PolarHBondContact O-N 3.47Å; I1341-H1343 VanDerWaalsContact C-N 3.27Å; I1341-H1343 PolarHBondContact O-N 3.32Å
1344	V	88.3	Confident	91.3	Very high	7 Å²	7	30.5 Å²	30.5	4%	0.042	15%	0.153	C	C	.	.	H	α-helix	trans	-79.8	-35.7	-168.1	173.6	0	0	0	0	114.5	L1274 N1275 I1278 N1295 Q1340 I1341	L1274-V1344 HydrophobicContact CD2-CG1 3.86Å; N1275-V1344 PolarHBondContact N-O 3.35Å; I1278-V1344 HydrophobicContact CD1-CB 4.22Å; I1278-V1344 HydrophobicContact CD1-CG1 4.24Å; I1278-V1344 WeakPolarHBondContact CD1-O 3.14Å; N1295-V1344 HydrophobicContact CB-CG1 4.05Å; N1295-V1344 HydrophobicContact CB-CG2 4.28Å; Q1340-V1344 WeakPolarHBondContact O-CB 3.36Å; Q1340-V1344 VanDerWaalsContact O-CG2 3.31Å; Q1340-V1344 WeakPolarHBondContact O-CG2 3.18Å; Q1340-V1344 PolarHBondContact O-N 3.47Å; I1341-V1344 PolarHBondContact O-N 2.96Å
1345	F	91.5	Very high	91.4	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.009	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-112	145.7	-172.9	-62.4	-73.6	0	0	0	111.6	L1272 K1273 L1274 N1295 P1297 I1341 L1347	L1272-F1345 HydrophobicContact CB-CD1 3.44Å; L1272-F1345 VanDerWaalsContact CB-CD1 3.44Å; L1272-F1345 HydrophobicContact CB-CE1 3.71Å; L1272-F1345 HydrophobicContact CB-CG 3.99Å; L1272-F1345 HydrophobicContact CB-CZ 4.43Å; L1272-F1345 HydrophobicContact CD1-CD1 4.15Å; L1272-F1345 HydrophobicContact CD1-CD2 3.97Å; L1272-F1345 HydrophobicContact CD1-CE1 4.23Å; L1272-F1345 HydrophobicContact CD1-CE2 4.03Å; L1272-F1345 HydrophobicContact CD1-CG 4Å; L1272-F1345 HydrophobicContact CD1-CZ 4.15Å; L1272-F1345 HydrophobicContact CG-CD1 4.47Å; K1273-F1345 WeakPolarHBondContact O-CA 3.38Å; L1274-F1345 HydrophobicContact CD2-CD1 4.01Å; L1274-F1345 HydrophobicContact CD2-CE1 3.82Å; N1295-F1345 VanDerWaalsContact O-CZ 3.24Å; N1295-F1345 WeakPolarHBondContact O-CZ 3.3Å; P1297-F1345 HydrophobicContact CB-CE1 4.17Å; I1341-F1345 HydrophobicContact CB-CD2 4.2Å; I1341-F1345 HydrophobicContact CG1-CD2 4.28Å; I1341-F1345 HydrophobicContact CG1-CE2 4.26Å; I1341-F1345 HydrophobicContact CG2-CD2 3.77Å; I1341-F1345 HydrophobicContact CG2-CE2 4.5Å; I1341-F1345 PolarHBondContact O-N 2.86Å; F1345-L1347 VanDerWaalsContact C-N 3.25Å; F1345-L1347 HydrophobicContact CB-CD1 3.81Å; F1345-L1347 HydrophobicContact CB-CG 3.9Å; F1345-L1347 PolarHBondContact O-N 3.07Å
1346	L	89.8	Confident	91.4	Very high	105 Å²	105	30 Å²	30	55%	0.55	15%	0.15	S	C	.	.			trans	-75.2	79.7	172	-173.9	65.4	0	0	0	109.8	K1273	K1273-L1346 PolarHBondContact O-N 2.86Å
1347	L	89.7	Confident	91.2	Very high	17 Å²	17	30.1 Å²	30.1	9%	0.089	15%	0.152	C	C	.	.			trans	-127.7	139.4	-177.6	-69.4	174.5	0	0	0	111.8	L1272 I1341 F1345 D1351 I1352 K1391	L1272-L1347 HydrophobicContact CD1-CD1 4.18Å; L1272-L1347 HydrophobicContact CD2-CD1 4.15Å; L1272-L1347 HydrophobicContact CD2-CD2 4.08Å; I1341-L1347 HydrophobicContact CG2-CD1 3.94Å; F1345-L1347 VanDerWaalsContact C-N 3.25Å; F1345-L1347 HydrophobicContact CB-CD1 3.81Å; F1345-L1347 HydrophobicContact CB-CG 3.9Å; F1345-L1347 PolarHBondContact O-N 3.07Å; L1347-D1351 HydrophobicContact CD2-CB 3.97Å; L1347-I1352 HydrophobicContact CD1-CG1 4.45Å; L1347-K1391 HydrophobicContact CD2-CB 4.15Å; L1347-K1391 HydrophobicContact CD2-CD 3.77Å
1348	S	90.2	Very high	90.7	Very high	56 Å²	56	31.9 Å²	31.9	39%	0.392	16%	0.159	S	C	.	.			trans	-81.6	155.6	165.7	70	0	0	0	0	110.1	E1350 D1351	S1348-E1350 PolarHBondContact O-N 3.4Å; S1348-E1350 VanDerWaalsContact O-N 3.13Å; S1348-D1351 PolarHBondContact N-OD2 3.36Å; S1348-D1351 VanDerWaalsContact N-OD2 3.08Å; S1348-D1351 VanDerWaalsContact O-CB 3.31Å; S1348-D1351 WeakPolarHBondContact O-CB 3.5Å; S1348-D1351 PolarHBondContact O-N 3.13Å; S1348-D1351 PolarHBondContact OG-N 3.39Å; S1348-D1351 PolarHBondContact OG-OD2 3.5Å
1349	M	89.3	Confident	90.1	Very high	40 Å²	40	40.9 Å²	40.9	20%	0.197	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-59.8	-25.2	175.7	-58.2	-58.8	-173.2	0	0	113.1	H1342 D1351 F1374 T1376 I1377	H1342-M1349 WeakPolarHBondContact CD2-CE 3.44Å; H1342-M1349 VanDerWaalsContact CD2-SD 3.58Å; H1342-M1349 WeakPolarHBondContact NE2-CE 3.42Å; M1349-D1351 VanDerWaalsContact C-N 3.28Å; M1349-F1374 HydrophobicContact CE-CD1 3.48Å; M1349-F1374 VanDerWaalsContact CE-CD1 3.48Å; M1349-F1374 HydrophobicContact CE-CE1 3.49Å; M1349-F1374 VanDerWaalsContact CE-CE1 3.49Å; M1349-F1374 HydrophobicContact SD-CD1 3.68Å; M1349-F1374 HydrophobicContact SD-CE1 4.06Å; M1349-T1376 WeakPolarHBondContact CB-OG1 3.36Å; M1349-T1376 WeakPolarHBondContact CG-OG1 3.44Å; M1349-I1377 HydrophobicContact CB-CG1 4.14Å; M1349-I1377 HydrophobicContact SD-CD1 4.19Å; M1349-I1377 HydrophobicContact SD-CG1 4.2Å
1350	E	89.3	Confident	89.5	Confident	75 Å²	75	39.4 Å²	39.4	35%	0.35	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-75.4	-18.1	177.7	-60.3	-171.3	159.7	0	0	112.7	K151 S1348 I1352 K1390	K151-E1350 IonicContact NZ-OE1 2.86Å; K151-E1350 PolarHBondContact NZ-OE1 3.17Å; K151-E1350 VanDerWaalsContact NZ-OE1 3.16Å; S1348-E1350 PolarHBondContact O-N 3.4Å; S1348-E1350 VanDerWaalsContact O-N 3.13Å; E1350-I1352 VanDerWaalsContact C-N 3.33Å; E1350-K1390 WeakPolarHBondContact O-CD 3.35Å; E1350-K1390 PolarHBondContact O-NZ 3.37Å
1351	D	93.6	Very high	89.5	Confident	33 Å²	33	37.1 Å²	37.1	18%	0.176	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-82	-8.1	177.7	-68.7	-55	0	0	0	113.6	L1347 S1348 M1349 K1390 K1391 L1392	L1347-D1351 HydrophobicContact CD2-CB 3.97Å; S1348-D1351 PolarHBondContact N-OD2 3.36Å; S1348-D1351 VanDerWaalsContact N-OD2 3.08Å; S1348-D1351 VanDerWaalsContact O-CB 3.31Å; S1348-D1351 WeakPolarHBondContact O-CB 3.5Å; S1348-D1351 PolarHBondContact O-N 3.13Å; S1348-D1351 PolarHBondContact OG-N 3.39Å; S1348-D1351 PolarHBondContact OG-OD2 3.5Å; M1349-D1351 VanDerWaalsContact C-N 3.28Å; D1351-K1390 WeakPolarHBondContact O-CB 3.28Å; D1351-K1391 HydrophobicContact CB-CB 4.19Å; D1351-K1391 HydrophobicContact CB-CD 4.02Å; D1351-K1391 HydrophobicContact CB-CG 4.21Å; D1351-K1391 PolarHBondContact O-N 3.22Å; D1351-K1391 WeakPolarHBondContact OD1-CD 3.21Å; D1351-K1391 WeakPolarHBondContact OD1-CE 3.4Å; D1351-K1391 IonicContact OD1-NZ 2.71Å; D1351-K1391 PolarHBondContact OD1-NZ 3.03Å; D1351-K1391 IonicContact OD2-NZ 2.76Å; D1351-K1391 PolarHBondContact OD2-NZ 3.38Å; D1351-L1392 PolarHBondContact O-N 3.31Å; D1351-L1392 VanDerWaalsContact O-N 3.16Å
1352	I	95.5	Very high	89.3	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	136.2	-178.6	-55	177.2	0	0	0	109.3	I1338 I1341 L1347 E1350 I1377 L1392	I1338-I1352 HydrophobicContact CG1-CG2 4.48Å; I1341-I1352 HydrophobicContact CG2-CD1 4.5Å; L1347-I1352 HydrophobicContact CD1-CG1 4.45Å; E1350-I1352 VanDerWaalsContact C-N 3.33Å; I1352-I1377 HydrophobicContact CB-CD1 4.46Å; I1352-I1377 HydrophobicContact CB-CG2 4.29Å; I1352-I1377 HydrophobicContact CD1-CD1 4.43Å; I1352-I1377 HydrophobicContact CG2-CD1 4.33Å; I1352-I1377 HydrophobicContact CG2-CG2 4Å; I1352-L1392 HydrophobicContact CG1-CD2 4.29Å; I1352-L1392 HydrophobicContact CG2-CD2 4.2Å
1353	G	96.1	Very high	89	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	148.8	171.3	0	0	0	0	0	112.8	E1378 L1392 I1393 L1394	G1353-E1378 CarbonylContact C-O 3.6Å; G1353-E1378 WeakPolarHBondContact CA-O 3.49Å; G1353-L1392 PolarHBondContact N-O 2.85Å; G1353-I1393 CarbonylContact O-C 3.56Å; G1353-I1393 WeakPolarHBondContact O-CA 3.43Å; G1353-L1394 PolarHBondContact O-N 2.78Å
1354	V	97.2	Very high	88.9	Confident	0 Å²	0	36 Å²	36	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127	173.4	-171.2	0	0	0	0	109.5	I1334 I1338 L1365 I1377 E1378 V1379 N1380 L1394	I1334-V1354 HydrophobicContact CD1-CG1 4.4Å; I1334-V1354 HydrophobicContact CG2-CG1 4.2Å; I1334-V1354 HydrophobicContact CG2-CG2 4.13Å; I1338-V1354 HydrophobicContact CD1-CG2 3.98Å; V1354-L1365 HydrophobicContact CG1-CD1 3.74Å; V1354-I1377 HydrophobicContact CG2-CG2 4.33Å; V1354-E1378 PolarHBondContact N-O 3.46Å; V1354-V1379 HydrophobicContact CB-CB 4.4Å; V1354-V1379 HydrophobicContact CB-CG1 4.14Å; V1354-V1379 HydrophobicContact CB-CG2 4.04Å; V1354-V1379 HydrophobicContact CG1-CG1 4.44Å; V1354-V1379 HydrophobicContact CG2-CG2 4.23Å; V1354-V1379 WeakPolarHBondContact O-CA 3.34Å; V1354-N1380 PolarHBondContact O-N 2.97Å; V1354-N1380 VanDerWaalsContact O-N 3.12Å; V1354-L1394 CarbonylContact C-O 3.55Å; V1354-L1394 WeakPolarHBondContact CA-O 3.44Å; V1354-L1394 HydrophobicContact CG1-CB 4.33Å; V1354-L1394 HydrophobicContact CG2-CB 4.26Å; V1354-L1394 HydrophobicContact CG2-CD1 4.3Å
1355	I	95.5	Very high	89	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	134.1	180	-57.2	-179.5	0	0	0	108.6	V1382 F1385 I1393 L1394 L1395 S1396 A1430 R1433	I1355-V1382 HydrophobicContact CG2-CB 4.31Å; I1355-V1382 HydrophobicContact CG2-CG2 3.63Å; I1355-F1385 HydrophobicContact CD1-CB 4.04Å; I1355-F1385 HydrophobicContact CD1-CD1 3.75Å; I1355-F1385 HydrophobicContact CD1-CD2 4.22Å; I1355-F1385 HydrophobicContact CD1-CE1 4.28Å; I1355-F1385 HydrophobicContact CD1-CG 3.73Å; I1355-F1385 HydrophobicContact CG1-CB 4.19Å; I1355-F1385 HydrophobicContact CG1-CD1 4.15Å; I1355-F1385 HydrophobicContact CG1-CD2 3.7Å; I1355-F1385 HydrophobicContact CG1-CE2 4.13Å; I1355-F1385 HydrophobicContact CG1-CG 3.74Å; I1355-I1393 HydrophobicContact CD1-CD1 4.15Å; I1355-I1393 HydrophobicContact CD1-CG2 3.76Å; I1355-I1393 HydrophobicContact CG1-CD1 4.44Å; I1355-I1393 HydrophobicContact CG1-CG2 3.99Å; I1355-L1394 PolarHBondContact N-O 3.5Å; I1355-L1395 HydrophobicContact CB-CD1 4.02Å; I1355-L1395 HydrophobicContact CG2-CD1 3.9Å; I1355-L1395 WeakPolarHBondContact O-CA 3.48Å; I1355-S1396 PolarHBondContact O-N 3.14Å; I1355-A1430 HydrophobicContact CG2-CB 4.49Å; I1355-R1433 HydrophobicContact CD1-CB 3.79Å; I1355-R1433 HydrophobicContact CD1-CG 3.6Å
1356	T	92.7	Very high	88.8	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	148	173.7	168	0	0	0	0	110	Y1358 Q1361 V1362 L1365 N1380 T1381 S1396 T1398	T1356-Y1358 VanDerWaalsContact C-N 3.29Å; T1356-Y1358 PolarHBondContact O-N 2.83Å; T1356-Y1358 PolarHBondContact OG1-N 2.98Å; T1356-Q1361 HydrophobicContact CG2-CB 3.89Å; T1356-Q1361 HydrophobicContact CG2-CG 3.91Å; T1356-Q1361 WeakPolarHBondContact OG1-CB 3.49Å; T1356-Q1361 WeakPolarHBondContact OG1-CG 3.37Å; T1356-V1362 HydrophobicContact CG2-CB 4.36Å; T1356-V1362 HydrophobicContact CG2-CG2 3.39Å; T1356-L1365 HydrophobicContact CG2-CD1 4.4Å; T1356-N1380 PolarHBondContact N-O 2.9Å; T1356-T1381 WeakPolarHBondContact O-CA 3.25Å; T1356-S1396 WeakPolarHBondContact CA-O 3.33Å; T1356-T1398 PolarHBondContact OG1-OG1 2.96Å
1357	P	85.9	Confident	88.4	Confident	13 Å²	13	35.9 Å²	35.9	8%	0.084	17%	0.17	C	C	.	.	S	Bend	trans	-69.5	-23.3	177.7	23.7	-29.9	0	0	0	113.9	S1396 L1420 L1421	P1357-S1396 WeakPolarHBondContact CD-O 3.32Å; P1357-L1420 HydrophobicContact CB-CB 4.12Å; P1357-L1421 HydrophobicContact CB-CD1 4.29Å; P1357-L1421 HydrophobicContact CB-CD2 4.28Å; P1357-L1421 HydrophobicContact CB-CG 3.87Å; P1357-L1421 HydrophobicContact CG-CD1 3.72Å; P1357-L1421 HydrophobicContact CG-CG 3.86Å
1358	Y	83.5	Confident	88.3	Confident	37 Å²	37	36.8 Å²	36.8	15%	0.145	17%	0.174	C	C	.	.			trans	-110.1	130.7	-169.9	-58.2	-73.7	0	0	0	113	N1325 T1356 A1360 Q1361 V1362 T1398 L1420	N1325-Y1358 HydrophobicContact CB-CD1 3.83Å; N1325-Y1358 HydrophobicContact CB-CD2 3.85Å; N1325-Y1358 HydrophobicContact CB-CE1 4.03Å; N1325-Y1358 HydrophobicContact CB-CE2 4.06Å; N1325-Y1358 HydrophobicContact CB-CG 3.74Å; N1325-Y1358 WeakPolarHBondContact ND2-CE1 3.28Å; N1325-Y1358 WeakPolarHBondContact O-CB 3.49Å; T1356-Y1358 VanDerWaalsContact C-N 3.29Å; T1356-Y1358 PolarHBondContact O-N 2.83Å; T1356-Y1358 PolarHBondContact OG1-N 2.98Å; Y1358-A1360 VanDerWaalsContact C-N 3.27Å; Y1358-A1360 PolarHBondContact O-N 3.3Å; Y1358-Q1361 WeakPolarHBondContact O-CB 3.41Å; Y1358-Q1361 PolarHBondContact O-N 2.85Å; Y1358-Q1361 VanDerWaalsContact O-N 3.12Å; Y1358-V1362 PolarHBondContact O-N 3.1Å; Y1358-V1362 VanDerWaalsContact O-N 3.09Å; Y1358-T1398 HydrophobicContact CD2-CG2 3.89Å; Y1358-L1420 HydrophobicContact CD1-CD1 4.04Å; Y1358-L1420 HydrophobicContact CE1-CD1 3.58Å
1359	R	80.5	Confident	88.1	Confident	189 Å²	189	34.2 Å²	34.2	71%	0.713	16%	0.156	S	C	*	.	H	α-helix	trans	-60.4	-33.2	177.7	-71.2	-175.4	177.4	139.1	0.6	113.5	Q1361 V1362 Y1363 T1381	R1359-Q1361 VanDerWaalsContact C-N 3.33Å; R1359-V1362 WeakPolarHBondContact O-CB 3.17Å; R1359-V1362 PolarHBondContact O-N 3.37Å; R1359-Y1363 PolarHBondContact O-N 2.94Å; R1359-T1381 HydrophobicContact CG-CG2 3.77Å
1360	A	78.7	Confident	87.8	Confident	26 Å²	26	37.4 Å²	37.4	22%	0.215	17%	0.169	C	C	.	.	H	α-helix	trans	-67	-36.2	177	0	0	0	0	0	112.1	Y1358 Y1363 L1364	Y1358-A1360 VanDerWaalsContact C-N 3.27Å; Y1358-A1360 PolarHBondContact O-N 3.3Å; A1360-Y1363 PolarHBondContact O-N 3.29Å; A1360-L1364 WeakPolarHBondContact O-CB 3.16Å; A1360-L1364 PolarHBondContact O-N 3.05Å
1361	Q	86.6	Confident	87.5	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-66.3	-39.5	170.1	-170.7	70.9	-7.6	0	0	111.7	N1327 T1356 Y1358 R1359 Y1363 L1364 L1365 S1396 T1398	N1327-Q1361 PolarHBondContact O-NE2 3.23Å; N1327-Q1361 VanDerWaalsContact O-NE2 3.11Å; N1327-Q1361 PolarHBondContact O-OE1 2.82Å; T1356-Q1361 HydrophobicContact CG2-CB 3.89Å; T1356-Q1361 HydrophobicContact CG2-CG 3.91Å; T1356-Q1361 WeakPolarHBondContact OG1-CB 3.49Å; T1356-Q1361 WeakPolarHBondContact OG1-CG 3.37Å; Y1358-Q1361 WeakPolarHBondContact O-CB 3.41Å; Y1358-Q1361 PolarHBondContact O-N 2.85Å; Y1358-Q1361 VanDerWaalsContact O-N 3.12Å; R1359-Q1361 VanDerWaalsContact C-N 3.33Å; Q1361-Y1363 VanDerWaalsContact C-N 3.34Å; Q1361-Y1363 PolarHBondContact O-N 3.22Å; Q1361-L1364 PolarHBondContact O-N 3.34Å; Q1361-L1365 HydrophobicContact CG-CD1 3.96Å; Q1361-L1365 VanDerWaalsContact O-CB 3.32Å; Q1361-L1365 WeakPolarHBondContact O-CB 3.48Å; Q1361-L1365 WeakPolarHBondContact O-CG 3.23Å; Q1361-L1365 PolarHBondContact O-N 2.97Å; Q1361-S1396 PolarHBondContact NE2-OG 2.82Å; Q1361-T1398 HydrophobicContact CB-CG2 3.95Å; Q1361-T1398 HydrophobicContact CG-CG2 3.99Å
1362	V	86.6	Confident	87	Confident	10 Å²	10	42.2 Å²	42.2	6%	0.061	19%	0.192	C	C	.	.	H	α-helix	trans	-57.4	-47.3	172.9	175.7	0	0	0	0	111.1	T1356 Y1358 R1359 L1365 K1366 V1379 T1381	T1356-V1362 HydrophobicContact CG2-CB 4.36Å; T1356-V1362 HydrophobicContact CG2-CG2 3.39Å; Y1358-V1362 PolarHBondContact O-N 3.1Å; Y1358-V1362 VanDerWaalsContact O-N 3.09Å; R1359-V1362 WeakPolarHBondContact O-CB 3.17Å; R1359-V1362 PolarHBondContact O-N 3.37Å; V1362-L1365 PolarHBondContact O-N 2.7Å; V1362-K1366 HydrophobicContact CG1-CD 4.05Å; V1362-K1366 HydrophobicContact CG1-CG 4.34Å; V1362-K1366 WeakPolarHBondContact O-CB 3.29Å; V1362-K1366 WeakPolarHBondContact O-CG 3.49Å; V1362-K1366 PolarHBondContact O-N 3.44Å; V1362-V1379 HydrophobicContact CB-CG1 4.45Å; V1362-V1379 HydrophobicContact CG1-CG1 4.11Å; V1362-T1381 HydrophobicContact CG2-CG2 3.79Å
1363	Y	82.2	Confident	86.3	Confident	103 Å²	103	47.4 Å²	47.4	40%	0.404	23%	0.228	S	C	.	.	H	α-helix	trans	-63.1	-48.3	-179.9	-179.7	-100.1	0	0	0	111.7	R1359 A1360 Q1361 L1365 K1366 N1367	R1359-Y1363 PolarHBondContact O-N 2.94Å; A1360-Y1363 PolarHBondContact O-N 3.29Å; Q1361-Y1363 VanDerWaalsContact C-N 3.34Å; Q1361-Y1363 PolarHBondContact O-N 3.22Å; Y1363-L1365 PolarHBondContact O-N 2.87Å; Y1363-K1366 PolarHBondContact O-N 3.32Å; Y1363-N1367 WeakPolarHBondContact CE1-ND2 3.37Å; Y1363-N1367 PolarHBondContact O-N 3.38Å; Y1363-N1367 PolarHBondContact O-OD1 3.25Å; Y1363-N1367 PolarHBondContact OH-ND2 2.94Å
1364	L	84.1	Confident	85.8	Confident	43 Å²	43	48.3 Å²	48.3	23%	0.225	23%	0.232	C	C	.	.	H	α-helix	trans	-55.7	-49.7	176.7	178.5	60.1	0	0	0	111.6	P1328 A1331 A1360 Q1361 N1367 M1368	P1328-L1364 HydrophobicContact CB-CD2 4.32Å; P1328-L1364 HydrophobicContact CG-CD2 4.17Å; A1331-L1364 HydrophobicContact CB-CD2 3.87Å; A1331-L1364 HydrophobicContact CB-CG 4.06Å; A1360-L1364 WeakPolarHBondContact O-CB 3.16Å; A1360-L1364 PolarHBondContact O-N 3.05Å; Q1361-L1364 PolarHBondContact O-N 3.34Å; L1364-N1367 PolarHBondContact O-N 3.35Å; L1364-M1368 HydrophobicContact CD1-CG 4.36Å; L1364-M1368 HydrophobicContact CD1-SD 4Å; L1364-M1368 HydrophobicContact CG-SD 4.08Å; L1364-M1368 WeakPolarHBondContact O-CG 3.47Å; L1364-M1368 PolarHBondContact O-N 3.47Å
1365	L	90.1	Very high	84.9	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.8	-46.2	177.8	-77.7	167.1	0	0	0	112	A1331 I1334 V1354 T1356 Q1361 V1362 Y1363 N1367 M1368 M1369 V1379	A1331-L1365 HydrophobicContact CB-CD2 3.83Å; A1331-L1365 HydrophobicContact CB-CG 4.25Å; I1334-L1365 HydrophobicContact CB-CD2 4.08Å; I1334-L1365 HydrophobicContact CD1-CD1 4.32Å; I1334-L1365 HydrophobicContact CD1-CD2 4.02Å; I1334-L1365 HydrophobicContact CG2-CD2 3.79Å; V1354-L1365 HydrophobicContact CG1-CD1 3.74Å; T1356-L1365 HydrophobicContact CG2-CD1 4.4Å; Q1361-L1365 HydrophobicContact CG-CD1 3.96Å; Q1361-L1365 VanDerWaalsContact O-CB 3.32Å; Q1361-L1365 WeakPolarHBondContact O-CB 3.48Å; Q1361-L1365 WeakPolarHBondContact O-CG 3.23Å; Q1361-L1365 PolarHBondContact O-N 2.97Å; V1362-L1365 PolarHBondContact O-N 2.7Å; Y1363-L1365 PolarHBondContact O-N 2.87Å; L1365-N1367 VanDerWaalsContact C-N 3.27Å; L1365-N1367 PolarHBondContact O-N 3.27Å; L1365-M1368 PolarHBondContact O-N 2.75Å; L1365-M1369 HydrophobicContact CD2-CE 4.34Å; L1365-M1369 WeakPolarHBondContact O-CB 3.27Å; L1365-M1369 WeakPolarHBondContact O-CG 3.36Å; L1365-M1369 PolarHBondContact O-N 2.96Å; L1365-V1379 HydrophobicContact CB-CG1 3.73Å; L1365-V1379 HydrophobicContact CB-CG2 4.44Å; L1365-V1379 HydrophobicContact CD1-CG1 3.91Å; L1365-V1379 HydrophobicContact CG-CG1 4.5Å
1366	K	87.8	Confident	84.4	Confident	79 Å²	79	55 Å²	55	34%	0.343	28%	0.283	S	S	.	.	H	α-helix	trans	-57.7	-41.5	177.8	-79.3	-175.1	-178.3	175	0	111.7	V1362 Y1363 M1369 K1370 V1379 N1380	V1362-K1366 HydrophobicContact CG1-CD 4.05Å; V1362-K1366 HydrophobicContact CG1-CG 4.34Å; V1362-K1366 WeakPolarHBondContact O-CB 3.29Å; V1362-K1366 WeakPolarHBondContact O-CG 3.49Å; V1362-K1366 PolarHBondContact O-N 3.44Å; Y1363-K1366 PolarHBondContact O-N 3.32Å; K1366-M1369 PolarHBondContact O-N 3.28Å; K1366-K1370 WeakPolarHBondContact O-CG 3.26Å; K1366-K1370 PolarHBondContact O-N 3.2Å; K1366-V1379 WeakPolarHBondContact CE-O 3.41Å; K1366-V1379 HydrophobicContact CG-CB 3.98Å; K1366-V1379 HydrophobicContact CG-CG2 4.47Å; K1366-V1379 PolarHBondContact NZ-O 2.92Å; K1366-N1380 PolarHBondContact NZ-OD1 3.42Å; K1366-N1380 VanDerWaalsContact NZ-OD1 3.1Å
1367	N	81.3	Confident	84.4	Confident	32 Å²	32	55.5 Å²	55.5	17%	0.171	29%	0.285	C	S	.	.	H	α-helix	trans	-66.6	-51.1	179.4	-70.7	4.4	0	0	0	111.4	Y1363 L1364 L1365 M1369 K1370 E1371	Y1363-N1367 WeakPolarHBondContact CE1-ND2 3.37Å; Y1363-N1367 PolarHBondContact O-N 3.38Å; Y1363-N1367 PolarHBondContact O-OD1 3.25Å; Y1363-N1367 PolarHBondContact OH-ND2 2.94Å; L1364-N1367 PolarHBondContact O-N 3.35Å; L1365-N1367 VanDerWaalsContact C-N 3.27Å; L1365-N1367 PolarHBondContact O-N 3.27Å; N1367-M1369 PolarHBondContact O-N 3.39Å; N1367-K1370 PolarHBondContact O-N 3.06Å; N1367-K1370 VanDerWaalsContact O-N 3.15Å; N1367-E1371 WeakPolarHBondContact O-CG 3.13Å; N1367-E1371 PolarHBondContact O-N 2.95Å; N1367-E1371 VanDerWaalsContact O-N 3.09Å
1368	M	86.7	Confident	84.6	Confident	37 Å²	37	56.6 Å²	56.6	18%	0.182	29%	0.29	C	S	.	.	H	α-helix	trans	-58.3	-37.8	177.1	-67.8	177.7	72.6	0	0	112.1	A1331 Q1332 L1335 L1364 L1365 N1372	A1331-M1368 HydrophobicContact CB-CE 4.45Å; A1331-M1368 HydrophobicContact CB-SD 3.65Å; Q1332-M1368 HydrophobicContact CB-CE 4.22Å; L1335-M1368 HydrophobicContact CD2-CE 4.21Å; L1364-M1368 HydrophobicContact CD1-CG 4.36Å; L1364-M1368 HydrophobicContact CD1-SD 4Å; L1364-M1368 HydrophobicContact CG-SD 4.08Å; L1364-M1368 WeakPolarHBondContact O-CG 3.47Å; L1364-M1368 PolarHBondContact O-N 3.47Å; L1365-M1368 PolarHBondContact O-N 2.75Å; M1368-N1372 PolarHBondContact O-N 3.32Å; M1368-N1372 PolarHBondContact O-ND2 3.14Å
1369	M	87.6	Confident	85	Confident	2 Å²	2	55 Å²	55	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-68.9	-41.1	177.1	-68	-62.5	160.4	0	0	112.6	I1334 L1335 I1338 L1365 K1366 N1367 N1372 S1373 F1374 G1375	I1334-M1369 HydrophobicContact CG2-CE 3.91Å; L1335-M1369 HydrophobicContact CB-CE 4.27Å; L1335-M1369 HydrophobicContact CD1-CE 4Å; L1335-M1369 HydrophobicContact CD1-SD 3.74Å; I1338-M1369 HydrophobicContact CD1-CE 3.28Å; I1338-M1369 HydrophobicContact CD1-SD 3.9Å; L1365-M1369 HydrophobicContact CD2-CE 4.34Å; L1365-M1369 WeakPolarHBondContact O-CB 3.27Å; L1365-M1369 WeakPolarHBondContact O-CG 3.36Å; L1365-M1369 PolarHBondContact O-N 2.96Å; K1366-M1369 PolarHBondContact O-N 3.28Å; N1367-M1369 PolarHBondContact O-N 3.39Å; M1369-N1372 CarbonylContact O-C 3.53Å; M1369-N1372 PolarHBondContact O-N 3.43Å; M1369-S1373 PolarHBondContact O-N 3.14Å; M1369-F1374 HydrophobicContact CB-CB 4.16Å; M1369-F1374 CarbonylContact O-C 3.44Å; M1369-F1374 WeakPolarHBondContact O-CA 3.38Å; M1369-F1374 PolarHBondContact O-N 3.47Å; M1369-F1374 HydrophobicContact SD-CB 3.78Å; M1369-F1374 HydrophobicContact SD-CG 4.44Å; M1369-G1375 PolarHBondContact O-N 3.43Å
1370	K	82.3	Confident	85.5	Confident	106 Å²	106	46.7 Å²	46.7	46%	0.461	25%	0.253	S	S	.	.	H	α-helix	trans	-61.4	-45.4	176.5	-76	177.9	-166.3	174	0	111.3	E860 K1366 N1367 N1372 S1373	E860-K1370 IonicContact OE1-NZ 3.34Å; E860-K1370 PolarHBondContact OE1-NZ 2.99Å; E860-K1370 IonicContact OE2-NZ 3.63Å; E860-K1370 PolarHBondContact OE2-NZ 2.83Å; K1366-K1370 WeakPolarHBondContact O-CG 3.26Å; K1366-K1370 PolarHBondContact O-N 3.2Å; N1367-K1370 PolarHBondContact O-N 3.06Å; N1367-K1370 VanDerWaalsContact O-N 3.15Å; K1370-N1372 VanDerWaalsContact C-N 3.25Å; K1370-N1372 PolarHBondContact O-N 3.08Å; K1370-S1373 PolarHBondContact O-N 3.02Å
1371	E	82.6	Confident	86	Confident	156 Å²	156	45.7 Å²	45.7	73%	0.729	25%	0.245	S	C	*	.	H	α-helix	trans	-61.2	-34.2	178.7	-70.7	173.1	179.6	0	0	112.3	N1367	N1367-E1371 WeakPolarHBondContact O-CG 3.13Å; N1367-E1371 PolarHBondContact O-N 2.95Å; N1367-E1371 VanDerWaalsContact O-N 3.09Å
1372	N	83	Confident	86.1	Confident	53 Å²	53	45.8 Å²	45.8	28%	0.283	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	18.2	-179.1	-73.6	-95.6	0	0	0	113.9	L1335 K1339 M1368 M1369 K1370 F1374	L1335-N1372 HydrophobicContact CD1-CB 3.9Å; L1335-N1372 HydrophobicContact CD2-CB 4.48Å; L1335-N1372 WeakPolarHBondContact CD2-ND2 3.48Å; K1339-N1372 WeakPolarHBondContact CE-OD1 3.41Å; K1339-N1372 PolarHBondContact NZ-OD1 3.27Å; M1368-N1372 PolarHBondContact O-N 3.32Å; M1368-N1372 PolarHBondContact O-ND2 3.14Å; M1369-N1372 CarbonylContact O-C 3.53Å; M1369-N1372 PolarHBondContact O-N 3.43Å; K1370-N1372 VanDerWaalsContact C-N 3.25Å; K1370-N1372 PolarHBondContact O-N 3.08Å; N1372-F1374 HydrophobicContact CB-CD2 3.78Å; N1372-F1374 HydrophobicContact CB-CE2 4.2Å; N1372-F1374 WeakPolarHBondContact O-CD2 3.47Å; N1372-F1374 WeakPolarHBondContact O-CE2 3.46Å; N1372-F1374 PolarHBondContact O-N 3.34Å
1373	S	81.9	Confident	86	Confident	109 Å²	109	48.2 Å²	48.2	76%	0.762	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	16.5	-179.4	-53.3	0	0	0	0	116.1	M1369 K1370	M1369-S1373 PolarHBondContact O-N 3.14Å; K1370-S1373 PolarHBondContact O-N 3.02Å
1374	F	84.9	Confident	86.1	Confident	20 Å²	20	47.1 Å²	47.1	9%	0.088	26%	0.256	C	S	.	.			trans	-100.8	18.3	175.9	-65.6	-74.5	0	0	0	113.2	L1335 I1338 K1339 H1342 M1349 M1369 N1372 T1376 I1377	L1335-F1374 HydrophobicContact CD1-CD2 4.1Å; L1335-F1374 HydrophobicContact CD1-CE2 4.49Å; I1338-F1374 HydrophobicContact CG2-CD1 3.85Å; I1338-F1374 HydrophobicContact CG2-CD2 4.5Å; I1338-F1374 HydrophobicContact CG2-CE1 3.92Å; I1338-F1374 HydrophobicContact CG2-CG 4.16Å; I1338-F1374 HydrophobicContact CG2-CZ 4.31Å; K1339-F1374 HydrophobicContact CG-CE2 3.75Å; K1339-F1374 HydrophobicContact CG-CZ 3.92Å; H1342-F1374 HydrophobicContact CB-CE1 4.4Å; M1349-F1374 HydrophobicContact CE-CD1 3.48Å; M1349-F1374 VanDerWaalsContact CE-CD1 3.48Å; M1349-F1374 HydrophobicContact CE-CE1 3.49Å; M1349-F1374 VanDerWaalsContact CE-CE1 3.49Å; M1349-F1374 HydrophobicContact SD-CD1 3.68Å; M1349-F1374 HydrophobicContact SD-CE1 4.06Å; M1369-F1374 HydrophobicContact CB-CB 4.16Å; M1369-F1374 CarbonylContact O-C 3.44Å; M1369-F1374 WeakPolarHBondContact O-CA 3.38Å; M1369-F1374 PolarHBondContact O-N 3.47Å; M1369-F1374 HydrophobicContact SD-CB 3.78Å; M1369-F1374 HydrophobicContact SD-CG 4.44Å; N1372-F1374 HydrophobicContact CB-CD2 3.78Å; N1372-F1374 HydrophobicContact CB-CE2 4.2Å; N1372-F1374 WeakPolarHBondContact O-CD2 3.47Å; N1372-F1374 WeakPolarHBondContact O-CE2 3.46Å; N1372-F1374 PolarHBondContact O-N 3.34Å; F1374-T1376 PolarHBondContact O-N 3Å; F1374-I1377 HydrophobicContact CB-CD1 3.92Å; F1374-I1377 HydrophobicContact CB-CG1 4.35Å; F1374-I1377 HydrophobicContact CD1-CD1 3.93Å; F1374-I1377 HydrophobicContact CG-CD1 4.25Å; F1374-I1377 WeakPolarHBondContact O-CB 3.37Å; F1374-I1377 PolarHBondContact O-N 3.34Å
1375	G	78.9	Confident	86.2	Confident	50 Å²	50	45.1 Å²	45.1	52%	0.515	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-9.7	-174	0	0	0	0	0	116.1	M1369	M1369-G1375 PolarHBondContact O-N 3.43Å
1376	T	85.2	Confident	85.8	Confident	89 Å²	89	46.3 Å²	46.3	55%	0.546	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-17.3	173	49.5	0	0	0	0	113.8	M1349 F1374	M1349-T1376 WeakPolarHBondContact CB-OG1 3.36Å; M1349-T1376 WeakPolarHBondContact CG-OG1 3.44Å; F1374-T1376 PolarHBondContact O-N 3Å
1377	I	91	Very high	85.4	Confident	11 Å²	11	45.2 Å²	45.2	6%	0.056	26%	0.263	C	S	.	.	S	Bend	trans	-67.5	136.4	177.3	-63.3	-178.5	0	0	0	109.1	I1338 M1349 I1352 V1354 F1374 V1379	I1338-I1377 HydrophobicContact CD1-CD1 4.09Å; I1338-I1377 HydrophobicContact CG1-CD1 4.44Å; I1338-I1377 HydrophobicContact CG2-CD1 3.49Å; I1338-I1377 VanDerWaalsContact CG2-CD1 3.49Å; M1349-I1377 HydrophobicContact CB-CG1 4.14Å; M1349-I1377 HydrophobicContact SD-CD1 4.19Å; M1349-I1377 HydrophobicContact SD-CG1 4.2Å; I1352-I1377 HydrophobicContact CB-CD1 4.46Å; I1352-I1377 HydrophobicContact CB-CG2 4.29Å; I1352-I1377 HydrophobicContact CD1-CD1 4.43Å; I1352-I1377 HydrophobicContact CG2-CD1 4.33Å; I1352-I1377 HydrophobicContact CG2-CG2 4Å; V1354-I1377 HydrophobicContact CG2-CG2 4.33Å; F1374-I1377 HydrophobicContact CB-CD1 3.92Å; F1374-I1377 HydrophobicContact CB-CG1 4.35Å; F1374-I1377 HydrophobicContact CD1-CD1 3.93Å; F1374-I1377 HydrophobicContact CG-CD1 4.25Å; F1374-I1377 WeakPolarHBondContact O-CB 3.37Å; F1374-I1377 PolarHBondContact O-N 3.34Å; I1377-V1379 PolarHBondContact O-N 3.41Å
1378	E	90.3	Very high	85.6	Confident	37 Å²	37	46.7 Å²	46.7	17%	0.173	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	115.9	-176.1	-165.3	176.8	171.8	0	0	111.5	G1353 V1354 N1380 F1385 R1388 K1390	G1353-E1378 CarbonylContact C-O 3.6Å; G1353-E1378 WeakPolarHBondContact CA-O 3.49Å; V1354-E1378 PolarHBondContact N-O 3.46Å; E1378-N1380 PolarHBondContact OE1-ND2 3.09Å; E1378-F1385 HydrophobicContact CB-CE2 4.31Å; E1378-F1385 HydrophobicContact CG-CE2 3.99Å; E1378-F1385 HydrophobicContact CG-CZ 4.48Å; E1378-R1388 WeakPolarHBondContact OE1-CD 3.46Å; E1378-R1388 IonicContact OE1-CZ 3.25Å; E1378-R1388 IonicContact OE1-NE 2.88Å; E1378-R1388 PolarHBondContact OE1-NE 2.78Å; E1378-R1388 IonicContact OE1-NH1 2.69Å; E1378-R1388 PolarHBondContact OE1-NH1 2.98Å; E1378-K1390 WeakPolarHBondContact OE2-CE 3.35Å; E1378-K1390 IonicContact OE2-NZ 2.62Å; E1378-K1390 PolarHBondContact OE2-NZ 3.35Å
1379	V	93	Very high	85.9	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.012	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	119.2	176.6	-174.6	0	0	0	0	108.6	V1354 V1362 L1365 K1366 I1377	V1354-V1379 HydrophobicContact CB-CB 4.4Å; V1354-V1379 HydrophobicContact CB-CG1 4.14Å; V1354-V1379 HydrophobicContact CB-CG2 4.04Å; V1354-V1379 HydrophobicContact CG1-CG1 4.44Å; V1354-V1379 HydrophobicContact CG2-CG2 4.23Å; V1354-V1379 WeakPolarHBondContact O-CA 3.34Å; V1362-V1379 HydrophobicContact CB-CG1 4.45Å; V1362-V1379 HydrophobicContact CG1-CG1 4.11Å; L1365-V1379 HydrophobicContact CB-CG1 3.73Å; L1365-V1379 HydrophobicContact CB-CG2 4.44Å; L1365-V1379 HydrophobicContact CD1-CG1 3.91Å; L1365-V1379 HydrophobicContact CG-CG1 4.5Å; K1366-V1379 WeakPolarHBondContact CE-O 3.41Å; K1366-V1379 HydrophobicContact CG-CB 3.98Å; K1366-V1379 HydrophobicContact CG-CG2 4.47Å; K1366-V1379 PolarHBondContact NZ-O 2.92Å; I1377-V1379 PolarHBondContact O-N 3.41Å
1380	N	91.4	Very high	86.3	Confident	15 Å²	15	48.9 Å²	48.9	8%	0.08	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	172.9	178.3	-72.6	-46.5	0	0	0	111.7	V1354 T1356 K1366 E1378 Q1384 F1385	V1354-N1380 PolarHBondContact O-N 2.97Å; V1354-N1380 VanDerWaalsContact O-N 3.12Å; T1356-N1380 PolarHBondContact N-O 2.9Å; K1366-N1380 PolarHBondContact NZ-OD1 3.42Å; K1366-N1380 VanDerWaalsContact NZ-OD1 3.1Å; E1378-N1380 PolarHBondContact OE1-ND2 3.09Å; N1380-Q1384 HydrophobicContact CB-CB 3.83Å; N1380-F1385 HydrophobicContact CB-CD2 4.04Å
1381	T	89	Confident	86.9	Confident	6 Å²	6	46.8 Å²	46.8	4%	0.037	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	162.9	171	66.3	0	0	0	0	112	T1356 R1359 V1362 D1383 Q1384 F1385	T1356-T1381 WeakPolarHBondContact O-CA 3.25Å; R1359-T1381 HydrophobicContact CG-CG2 3.77Å; V1362-T1381 HydrophobicContact CG2-CG2 3.79Å; T1381-D1383 VanDerWaalsContact C-N 3.29Å; T1381-D1383 PolarHBondContact O-N 3.34Å; T1381-Q1384 PolarHBondContact O-N 3.49Å; T1381-Q1384 VanDerWaalsContact O-N 3.12Å; T1381-F1385 PolarHBondContact O-N 3.49Å
1382	V	87.6	Confident	87.6	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.012	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-49.2	177.1	-179.7	0	0	0	0	111.7	I1355 Q1384 F1385 L1421 R1426 V1429 A1430	I1355-V1382 HydrophobicContact CG2-CB 4.31Å; I1355-V1382 HydrophobicContact CG2-CG2 3.63Å; V1382-Q1384 PolarHBondContact O-N 3.39Å; V1382-F1385 PolarHBondContact O-N 3.1Å; V1382-L1421 HydrophobicContact CG2-CD2 3.77Å; V1382-R1426 HydrophobicContact CG1-CB 4.09Å; V1382-R1426 HydrophobicContact CG1-CG 4.33Å; V1382-R1426 VanDerWaalsContact CG1-O 3.23Å; V1382-R1426 WeakPolarHBondContact CG1-O 3.37Å; V1382-V1429 HydrophobicContact CG1-CB 4.03Å; V1382-V1429 HydrophobicContact CG1-CG1 3.97Å; V1382-A1430 HydrophobicContact CG1-CB 4.16Å; V1382-A1430 HydrophobicContact CG2-CB 4.19Å
1383	D	84.4	Confident	88.3	Confident	60 Å²	60	36.9 Å²	36.9	32%	0.321	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-39.2	-178.8	-44.2	-107.4	0	0	0	112	L1187 T1381 F1385 Q1386 R1426	L1187-D1383 HydrophobicContact CD1-CB 4.32Å; T1381-D1383 VanDerWaalsContact C-N 3.29Å; T1381-D1383 PolarHBondContact O-N 3.34Å; D1383-F1385 VanDerWaalsContact C-N 3.35Å; D1383-Q1386 WeakPolarHBondContact O-CB 3.41Å; D1383-Q1386 PolarHBondContact O-N 3.36Å; D1383-R1426 IonicContact OD1-NE 2.89Å; D1383-R1426 PolarHBondContact OD1-NE 2.89Å; D1383-R1426 IonicContact OD1-NH2 3.4Å
1384	Q	84.1	Confident	89.1	Confident	81 Å²	81	31.7 Å²	31.7	38%	0.379	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-23.9	179.1	-75.4	-179	-25.7	0	0	113.4	N1380 T1381 V1382 Q1386 R1388	N1380-Q1384 HydrophobicContact CB-CB 3.83Å; T1381-Q1384 PolarHBondContact O-N 3.49Å; T1381-Q1384 VanDerWaalsContact O-N 3.12Å; V1382-Q1384 PolarHBondContact O-N 3.39Å; Q1384-Q1386 PolarHBondContact O-N 3.01Å; Q1384-R1388 PolarHBondContact O-NE 2.73Å
1385	F	86.6	Confident	89.6	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-1.2	176.4	-135.9	-81.7	0	0	0	112.7	I1355 E1378 N1380 T1381 V1382 D1383 G1387 R1388 K1390 I1393 R1433	I1355-F1385 HydrophobicContact CD1-CB 4.04Å; I1355-F1385 HydrophobicContact CD1-CD1 3.75Å; I1355-F1385 HydrophobicContact CD1-CD2 4.22Å; I1355-F1385 HydrophobicContact CD1-CE1 4.28Å; I1355-F1385 HydrophobicContact CD1-CG 3.73Å; I1355-F1385 HydrophobicContact CG1-CB 4.19Å; I1355-F1385 HydrophobicContact CG1-CD1 4.15Å; I1355-F1385 HydrophobicContact CG1-CD2 3.7Å; I1355-F1385 HydrophobicContact CG1-CE2 4.13Å; I1355-F1385 HydrophobicContact CG1-CG 3.74Å; E1378-F1385 HydrophobicContact CB-CE2 4.31Å; E1378-F1385 HydrophobicContact CG-CE2 3.99Å; E1378-F1385 HydrophobicContact CG-CZ 4.48Å; N1380-F1385 HydrophobicContact CB-CD2 4.04Å; T1381-F1385 PolarHBondContact O-N 3.49Å; V1382-F1385 PolarHBondContact O-N 3.1Å; D1383-F1385 VanDerWaalsContact C-N 3.35Å; F1385-G1387 PolarHBondContact O-N 2.92Å; F1385-R1388 HydrophobicContact CD1-CB 3.79Å; F1385-R1388 WeakPolarHBondContact CD1-O 3.47Å; F1385-R1388 HydrophobicContact CE1-CB 3.87Å; F1385-R1388 WeakPolarHBondContact CE1-O 3.35Å; F1385-R1388 HydrophobicContact CG-CB 4.46Å; F1385-R1388 WeakPolarHBondContact O-CB 3.5Å; F1385-R1388 PolarHBondContact O-N 2.87Å; F1385-K1390 HydrophobicContact CE1-CG 3.91Å; F1385-K1390 HydrophobicContact CZ-CG 3.74Å; F1385-I1393 HydrophobicContact CD1-CD1 4.5Å; F1385-I1393 HydrophobicContact CE1-CD1 3.64Å; F1385-I1393 HydrophobicContact CZ-CD1 3.8Å; F1385-R1433 HydrophobicContact CD1-CB 4.06Å; F1385-R1433 HydrophobicContact CD1-CG 3.74Å; F1385-R1433 HydrophobicContact CE1-CB 4.28Å; F1385-R1433 HydrophobicContact CE1-CG 4.44Å; F1385-R1433 WeakPolarHBondContact O-CD 3.38Å
1386	Q	81.9	Confident	90.3	Very high	26 Å²	26	28.4 Å²	28.4	12%	0.121	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	138	176.7	-166.6	176	19.8	0	0	111.8	Q1150 L1187 D1383 Q1384 R1388	Q1150-Q1386 VanDerWaalsContact CD-NE2 3.32Å; L1187-Q1386 HydrophobicContact CD1-CB 4.43Å; D1383-Q1386 WeakPolarHBondContact O-CB 3.41Å; D1383-Q1386 PolarHBondContact O-N 3.36Å; Q1384-Q1386 PolarHBondContact O-N 3.01Å; Q1386-R1388 PolarHBondContact O-N 3.37Å
1387	G	80	Confident	90.5	Very high	56 Å²	56	24.2 Å²	24.2	58%	0.577	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.6	-4.6	-173.8	0	0	0	0	0	115	F1385	F1385-G1387 PolarHBondContact O-N 2.92Å
1388	R	85.9	Confident	90.1	Very high	62 Å²	62	24.2 Å²	24.2	23%	0.234	13%	0.13	C	C	.	.			trans	-108.8	123.2	-178.6	-44.6	-174	-164.4	-147.1	-2.9	110	D147 E1378 Q1384 F1385 Q1386 R1433	D147-R1388 PolarHBondContact O-NH2 2.72Å; E1378-R1388 WeakPolarHBondContact OE1-CD 3.46Å; E1378-R1388 IonicContact OE1-CZ 3.25Å; E1378-R1388 IonicContact OE1-NE 2.88Å; E1378-R1388 PolarHBondContact OE1-NE 2.78Å; E1378-R1388 IonicContact OE1-NH1 2.69Å; E1378-R1388 PolarHBondContact OE1-NH1 2.98Å; Q1384-R1388 PolarHBondContact O-NE 2.73Å; F1385-R1388 HydrophobicContact CD1-CB 3.79Å; F1385-R1388 WeakPolarHBondContact CD1-O 3.47Å; F1385-R1388 HydrophobicContact CE1-CB 3.87Å; F1385-R1388 WeakPolarHBondContact CE1-O 3.35Å; F1385-R1388 HydrophobicContact CG-CB 4.46Å; F1385-R1388 WeakPolarHBondContact O-CB 3.5Å; F1385-R1388 PolarHBondContact O-N 2.87Å; Q1386-R1388 PolarHBondContact O-N 3.37Å; R1388-R1433 WeakPolarHBondContact O-CD 3.4Å
1389	D	92	Very high	89.3	Confident	54 Å²	54	24.3 Å²	24.3	29%	0.289	13%	0.131	S	C	.	.			trans	-124.2	151.8	176.5	51.6	-86.7	0	0	0	111.5	R1242 R1433 Q1435	R1242-D1389 IonicContact CZ-OD1 3.83Å; R1242-D1389 VanDerWaalsContact CZ-OD1 3.3Å; R1242-D1389 IonicContact NE-OD1 2.75Å; R1242-D1389 PolarHBondContact NE-OD1 2.79Å; R1242-D1389 IonicContact NE-OD2 3.43Å; R1242-D1389 IonicContact NH2-OD1 3.4Å; R1242-D1389 PolarHBondContact NH2-OD1 3.43Å; D1389-R1433 VanDerWaalsContact CA-O 3.3Å; D1389-R1433 WeakPolarHBondContact CA-O 3.26Å; D1389-R1433 WeakPolarHBondContact CB-O 3.04Å; D1389-Q1435 PolarHBondContact OD2-NE2 3.15Å
1390	K	96.1	Very high	87.7	Confident	31 Å²	31	25.7 Å²	25.7	14%	0.135	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	154	-171.6	-60.2	-66.4	-178.6	-177.5	0	109.9	E1350 D1351 E1378 F1385 L1392 I1393 R1433 Q1435	E1350-K1390 WeakPolarHBondContact O-CD 3.35Å; E1350-K1390 PolarHBondContact O-NZ 3.37Å; D1351-K1390 WeakPolarHBondContact O-CB 3.28Å; E1378-K1390 WeakPolarHBondContact OE2-CE 3.35Å; E1378-K1390 IonicContact OE2-NZ 2.62Å; E1378-K1390 PolarHBondContact OE2-NZ 3.35Å; F1385-K1390 HydrophobicContact CE1-CG 3.91Å; F1385-K1390 HydrophobicContact CZ-CG 3.74Å; K1390-L1392 VanDerWaalsContact C-N 3.27Å; K1390-L1392 WeakPolarHBondContact CB-O 3.36Å; K1390-L1392 PolarHBondContact O-N 2.75Å; K1390-I1393 HydrophobicContact CB-CD1 3.61Å; K1390-I1393 HydrophobicContact CB-CG1 4.17Å; K1390-I1393 HydrophobicContact CG-CD1 3.72Å; K1390-R1433 PolarHBondContact N-O 3.48Å; K1390-Q1435 WeakPolarHBondContact O-CG 3.39Å; K1390-Q1435 PolarHBondContact O-N 2.96Å
1391	K	96.1	Very high	85.8	Confident	63 Å²	63	26.3 Å²	26.3	27%	0.274	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	-40.9	174.9	-66.3	-178.1	-172.6	141.5	0	110.9	L1272 L1347 D1351 H1436 K1437	L1272-K1391 HydrophobicContact CD2-CB 4.15Å; L1347-K1391 HydrophobicContact CD2-CB 4.15Å; L1347-K1391 HydrophobicContact CD2-CD 3.77Å; D1351-K1391 HydrophobicContact CB-CB 4.19Å; D1351-K1391 HydrophobicContact CB-CD 4.02Å; D1351-K1391 HydrophobicContact CB-CG 4.21Å; D1351-K1391 PolarHBondContact O-N 3.22Å; D1351-K1391 WeakPolarHBondContact OD1-CD 3.21Å; D1351-K1391 WeakPolarHBondContact OD1-CE 3.4Å; D1351-K1391 IonicContact OD1-NZ 2.71Å; D1351-K1391 PolarHBondContact OD1-NZ 3.03Å; D1351-K1391 IonicContact OD2-NZ 2.76Å; D1351-K1391 PolarHBondContact OD2-NZ 3.38Å; K1391-H1436 PolarHBondContact O-N 3.23Å; K1391-K1437 PolarHBondContact O-N 3.15Å
1392	L	97	Very high	83.8	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	130.6	176.3	173	71	0	0	0	110.7	I1341 D1351 I1352 G1353 K1390 L1394 K1437 I1439	I1341-L1392 HydrophobicContact CB-CD2 4.44Å; I1341-L1392 HydrophobicContact CD1-CD1 4.36Å; I1341-L1392 HydrophobicContact CD1-CD2 3.51Å; I1341-L1392 HydrophobicContact CG2-CD2 3.5Å; I1341-L1392 VanDerWaalsContact CG2-CD2 3.5Å; D1351-L1392 PolarHBondContact O-N 3.31Å; D1351-L1392 VanDerWaalsContact O-N 3.16Å; I1352-L1392 HydrophobicContact CG1-CD2 4.29Å; I1352-L1392 HydrophobicContact CG2-CD2 4.2Å; G1353-L1392 PolarHBondContact N-O 2.85Å; K1390-L1392 VanDerWaalsContact C-N 3.27Å; K1390-L1392 WeakPolarHBondContact CB-O 3.36Å; K1390-L1392 PolarHBondContact O-N 2.75Å; L1392-L1394 HydrophobicContact CD1-CD2 4.19Å; L1392-L1394 HydrophobicContact CD2-CD2 4.4Å; L1392-L1394 HydrophobicContact CG-CD2 4.35Å; L1392-K1437 WeakPolarHBondContact CA-O 3.34Å; L1392-K1437 HydrophobicContact CD1-CB 3.7Å; L1392-K1437 HydrophobicContact CD1-CD 4.31Å; L1392-K1437 HydrophobicContact CD1-CG 3.83Å; L1392-I1439 HydrophobicContact CD1-CD1 4.23Å; L1392-I1439 HydrophobicContact CD1-CG1 4.29Å
1393	I	97.6	Very high	81.9	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	131.9	168.2	-65.4	-68	0	0	0	110.2	G1353 I1355 F1385 K1390 R1433 A1434 K1437 L1438 I1439	G1353-I1393 CarbonylContact O-C 3.56Å; G1353-I1393 WeakPolarHBondContact O-CA 3.43Å; I1355-I1393 HydrophobicContact CD1-CD1 4.15Å; I1355-I1393 HydrophobicContact CD1-CG2 3.76Å; I1355-I1393 HydrophobicContact CG1-CD1 4.44Å; I1355-I1393 HydrophobicContact CG1-CG2 3.99Å; F1385-I1393 HydrophobicContact CD1-CD1 4.5Å; F1385-I1393 HydrophobicContact CE1-CD1 3.64Å; F1385-I1393 HydrophobicContact CZ-CD1 3.8Å; K1390-I1393 HydrophobicContact CB-CD1 3.61Å; K1390-I1393 HydrophobicContact CB-CG1 4.17Å; K1390-I1393 HydrophobicContact CG-CD1 3.72Å; I1393-R1433 HydrophobicContact CD1-CB 4.03Å; I1393-R1433 HydrophobicContact CG1-CB 3.93Å; I1393-A1434 HydrophobicContact CB-CB 3.91Å; I1393-A1434 HydrophobicContact CG1-CB 3.88Å; I1393-K1437 PolarHBondContact N-O 2.97Å; I1393-L1438 HydrophobicContact CB-CD1 4.04Å; I1393-L1438 HydrophobicContact CG2-CD1 3.87Å; I1393-L1438 WeakPolarHBondContact O-CA 3.42Å; I1393-I1439 PolarHBondContact O-N 3.25Å
1394	L	97.6	Very high	80	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	116.5	165.9	-53.2	-179.2	0	0	0	108.4	I1334 I1337 I1338 G1353 V1354 I1355 L1392 I1439	I1334-L1394 HydrophobicContact CG2-CD1 3.91Å; I1337-L1394 HydrophobicContact CG2-CD1 4.19Å; I1337-L1394 HydrophobicContact CG2-CD2 4.03Å; I1338-L1394 HydrophobicContact CD1-CD1 3.79Å; I1338-L1394 HydrophobicContact CG1-CD1 3.56Å; G1353-L1394 PolarHBondContact O-N 2.78Å; V1354-L1394 CarbonylContact C-O 3.55Å; V1354-L1394 WeakPolarHBondContact CA-O 3.44Å; V1354-L1394 HydrophobicContact CG1-CB 4.33Å; V1354-L1394 HydrophobicContact CG2-CB 4.26Å; V1354-L1394 HydrophobicContact CG2-CD1 4.3Å; I1355-L1394 PolarHBondContact N-O 3.5Å; L1392-L1394 HydrophobicContact CD1-CD2 4.19Å; L1392-L1394 HydrophobicContact CD2-CD2 4.4Å; L1392-L1394 HydrophobicContact CG-CD2 4.35Å; L1394-I1439 CarbonylContact C-O 3.57Å; L1394-I1439 WeakPolarHBondContact CA-O 3.34Å; L1394-I1439 HydrophobicContact CD2-CB 3.65Å; L1394-I1439 HydrophobicContact CD2-CD1 3.76Å; L1394-I1439 HydrophobicContact CD2-CG1 4Å; L1394-I1439 HydrophobicContact CD2-CG2 4.4Å
1395	L	96.1	Very high	77.9	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	105.8	178.4	177.9	60.7	0	0	0	109.6	I1355 L1397 A1430 L1431 L1438 I1439 I1440 I1441	I1355-L1395 HydrophobicContact CB-CD1 4.02Å; I1355-L1395 HydrophobicContact CG2-CD1 3.9Å; I1355-L1395 WeakPolarHBondContact O-CA 3.48Å; L1395-L1397 HydrophobicContact CD2-CD2 4.43Å; L1395-L1397 HydrophobicContact CG-CD2 4.31Å; L1395-A1430 HydrophobicContact CD1-CB 4.06Å; L1395-A1430 HydrophobicContact CD2-CB 4.22Å; L1395-L1431 HydrophobicContact CD2-CD2 4.42Å; L1395-L1438 HydrophobicContact CB-CD1 4.34Å; L1395-I1439 PolarHBondContact N-O 3.3Å; L1395-I1440 HydrophobicContact CB-CG1 4.38Å; L1395-I1440 HydrophobicContact CD2-CD1 4.49Å; L1395-I1440 HydrophobicContact CD2-CG1 4.24Å; L1395-I1440 HydrophobicContact CD2-CG2 4.3Å; L1395-I1440 HydrophobicContact CG-CG2 4.49Å; L1395-I1440 CarbonylContact O-C 3.57Å; L1395-I1440 WeakPolarHBondContact O-CA 3.44Å; L1395-I1441 PolarHBondContact O-N 3.09Å
1396	S	93.7	Very high	75.4	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	116	175.2	177.5	0	0	0	0	109.9	E1330 I1355 T1356 P1357 Q1361 T1398	E1330-S1396 PolarHBondContact OE2-OG 2.92Å; I1355-S1396 PolarHBondContact O-N 3.14Å; T1356-S1396 WeakPolarHBondContact CA-O 3.33Å; P1357-S1396 WeakPolarHBondContact CD-O 3.32Å; Q1361-S1396 PolarHBondContact NE2-OG 2.82Å; S1396-T1398 VanDerWaalsContact C-N 3.28Å
1397	L	89.4	Confident	73.2	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.005	25%	0.254	C	S	.	.			trans	-75.3	-20.2	176.6	-55.8	-179.9	0	0	0	112	L1395 N1399 L1421 I1440 I1441 F1464	L1395-L1397 HydrophobicContact CD2-CD2 4.43Å; L1395-L1397 HydrophobicContact CG-CD2 4.31Å; L1397-N1399 VanDerWaalsContact C-N 3.29Å; L1397-N1399 PolarHBondContact O-N 3.37Å; L1397-L1421 HydrophobicContact CD2-CD1 3.43Å; L1397-L1421 VanDerWaalsContact CD2-CD1 3.43Å; L1397-I1440 HydrophobicContact CD1-CG2 4.08Å; L1397-I1440 HydrophobicContact CD2-CG2 4.08Å; L1397-I1440 HydrophobicContact CG-CG2 4.06Å; L1397-I1441 WeakPolarHBondContact CG-O 3.37Å; L1397-I1441 PolarHBondContact N-O 3.31Å; L1397-F1464 HydrophobicContact CD1-CE1 4.13Å; L1397-F1464 HydrophobicContact CD1-CZ 3.67Å
1398	T	82.6	Confident	71	Confident	12 Å²	12	49 Å²	49	7%	0.074	26%	0.256	C	S	.	.			trans	62.6	33.7	178.8	-38.6	0	0	0	0	112.8	N1327 E1330 T1356 Y1358 Q1361 S1396	N1327-T1398 HydrophobicContact CB-CG2 3.98Å; E1330-T1398 WeakPolarHBondContact OE1-CA 3.49Å; E1330-T1398 PolarHBondContact OE1-N 3.1Å; E1330-T1398 WeakPolarHBondContact OE2-CA 3.19Å; E1330-T1398 PolarHBondContact OE2-N 3.39Å; T1356-T1398 PolarHBondContact OG1-OG1 2.96Å; Y1358-T1398 HydrophobicContact CD2-CG2 3.89Å; Q1361-T1398 HydrophobicContact CB-CG2 3.95Å; Q1361-T1398 HydrophobicContact CG-CG2 3.99Å; S1396-T1398 VanDerWaalsContact C-N 3.28Å
1399	N	72.5	Confident	68.8	Low	38 Å²	38	55.3 Å²	55.3	20%	0.203	29%	0.288	C	S	.	.			trans	-94.8	137.6	-177.2	-86.3	-9	0	0	0	111.7	N1327 E1330 L1397 N1418 C1443	N1327-N1399 PolarHBondContact ND2-O 2.79Å; E1330-N1399 PolarHBondContact OE1-N 3.26Å; L1397-N1399 VanDerWaalsContact C-N 3.29Å; L1397-N1399 PolarHBondContact O-N 3.37Å; N1399-N1418 PolarHBondContact ND2-ND2 3.41Å; N1399-N1418 PolarHBondContact OD1-ND2 3.43Å; N1399-N1418 PolarHBondContact OD1-OD1 3.46Å; N1399-C1443 HydrophobicContact CB-CB 3.96Å; N1399-C1443 PolarHBondContact ND2-O 2.97Å
1400	C	60.7	Low	65.9	Low	32 Å²	32	59.4 Å²	59.4	22%	0.216	31%	0.31	C	S	.	.			trans	-108.7	129.8	170.4	-80.8	0	0	0	0	111.1	C1313 S1402 S1403	C1313-C1400 HydrophobicContact CB-CB 4.37Å; C1313-C1400 VanDerWaalsContact CB-SG 3.54Å; C1400-S1402 PolarHBondContact O-N 2.71Å; C1400-S1403 PolarHBondContact O-N 3.35Å; C1400-S1403 PolarHBondContact O-OG 3.47Å
1401	P	51.6	Low	62.9	Low	28 Å²	28	66.9 Å²	66.9	18%	0.182	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-22	172.2	-19.5	30.1	0	0	0	113.8	C1313 F1404 C1443	C1313-P1401 VanDerWaalsContact SG-CD 3.51Å; P1401-F1404 VanDerWaalsContact O-CB 3.28Å; P1401-F1404 WeakPolarHBondContact O-CB 3.49Å; P1401-C1443 HydrophobicContact CG-CB 4.39Å
1402	S	47.2	Very low	59.8	Low	27 Å²	27	68.9 Å²	68.9	19%	0.189	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-17.2	-175.7	53.9	0	0	0	0	114.7	C1314 C1400 F1404 L1405 R1406	C1314-S1402 PolarHBondContact SG-OG 2.81Å; C1400-S1402 PolarHBondContact O-N 2.71Å; S1402-F1404 PolarHBondContact O-N 2.9Å; S1402-F1404 VanDerWaalsContact O-N 3.17Å; S1402-L1405 PolarHBondContact O-N 3.04Å; S1402-L1405 VanDerWaalsContact O-N 3.09Å; S1402-R1406 PolarHBondContact O-N 2.63Å
1403	S	47.5	Very low	56.8	Low	84 Å²	84	74 Å²	74	59%	0.587	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-18.9	168.5	72.5	0	0	0	0	111.4	C1400	C1400-S1403 PolarHBondContact O-N 3.35Å; C1400-S1403 PolarHBondContact O-OG 3.47Å
1404	F	43.4	Very low	53.9	Low	96 Å²	96	77.8 Å²	77.8	42%	0.421	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-34.3	172.7	-103.4	-95	0	0	0	113.9	P1401 S1402	P1401-F1404 VanDerWaalsContact O-CB 3.28Å; P1401-F1404 WeakPolarHBondContact O-CB 3.49Å; S1402-F1404 PolarHBondContact O-N 2.9Å; S1402-F1404 VanDerWaalsContact O-N 3.17Å
1405	L	39.7	Very low	51	Low	132 Å²	132	81.5 Å²	81.5	69%	0.691	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-19.1	-173.6	-73.8	170.8	0	0	0	113.6	S1402	S1402-L1405 PolarHBondContact O-N 3.04Å; S1402-L1405 VanDerWaalsContact O-N 3.09Å
1406	R	35.4	Very low	48.5	Very low	196 Å²	196	87.9 Å²	87.9	74%	0.74	47%	0.472	S	S	*	.	S	Bend	trans	-87.9	-9.5	179.2	-73.2	-160.5	175.9	-154.3	0.8	114.7	S1402 S1408	S1402-R1406 PolarHBondContact O-N 2.63Å; R1406-S1408 VanDerWaalsContact C-N 3.26Å; R1406-S1408 PolarHBondContact O-N 3.11Å
1407	T	36.1	Very low	46.4	Very low	82 Å²	82	91.8 Å²	91.8	50%	0.503	49%	0.486	S	S	.	.			trans	-91.8	64	166.7	54.6	0	0	0	0	109.3
1408	S	32.3	Very low	44.8	Very low	90 Å²	90	92.1 Å²	92.1	63%	0.629	49%	0.488	S	S	*	.			trans	-78.1	126.7	158.4	53.8	0	0	0	0	108.6	R1406 N1410	R1406-S1408 VanDerWaalsContact C-N 3.26Å; R1406-S1408 PolarHBondContact O-N 3.11Å; S1408-N1410 PolarHBondContact O-N 3.12Å
1409	E	40.7	Very low	44	Very low	194 Å²	194	98.1 Å²	98.1	91%	0.907	52%	0.515	S	S	*	.	S	Bend	trans	73.1	-8.9	160.9	-59.2	-172.7	172.4	0	0	121.4
1410	N	31.3	Very low	43.7	Very low	141 Å²	141	99.1 Å²	99.1	75%	0.754	52%	0.52	S	S	*	.	S	Bend	trans	-101.4	125.1	168.1	-71.2	-22.4	0	0	0	110.5	S1408 C1412	S1408-N1410 PolarHBondContact O-N 3.12Å; N1410-C1412 PolarHBondContact O-N 2.89Å; N1410-C1412 VanDerWaalsContact O-N 3.14Å
1411	E	33.6	Very low	44.3	Very low	188 Å²	188	97.7 Å²	97.7	88%	0.879	51%	0.51	S	S	*	.			trans	-16.7	106.6	176.9	-68	-179.9	161.4	0	0	113.5	N1413	E1411-N1413 PolarHBondContact O-N 2.78Å
1412	C	30.8	Very low	45.5	Very low	105 Å²	105	97.7 Å²	97.7	71%	0.709	51%	0.509	S	S	*	.			trans	-2.4	87.1	162.2	-56.9	0	0	0	0	115.9	N1410 E1414	N1410-C1412 PolarHBondContact O-N 2.89Å; N1410-C1412 VanDerWaalsContact O-N 3.14Å; C1412-E1414 HydrophobicContact CB-CG 4.15Å; C1412-E1414 PolarHBondContact O-N 2.86Å
1413	N	33.8	Very low	47.3	Very low	107 Å²	107	98.6 Å²	98.6	57%	0.572	51%	0.512	S	S	*	.			trans	-70.9	51.7	153.8	-80	-33.4	0	0	0	110.1	E1411 S1415 N1416	E1411-N1413 PolarHBondContact O-N 2.78Å; N1413-S1415 PolarHBondContact O-N 3.08Å; N1413-S1415 VanDerWaalsContact O-N 3.08Å; N1413-N1416 PolarHBondContact O-N 3.45Å
1414	E	35.5	Very low	49.4	Very low	79 Å²	79	96.9 Å²	96.9	37%	0.369	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-54.5	-21.3	167.3	-85.6	-161.4	135.8	0	0	111.2	C1412 N1416 R1417 N1455	C1412-E1414 HydrophobicContact CB-CG 4.15Å; C1412-E1414 PolarHBondContact O-N 2.86Å; E1414-N1416 VanDerWaalsContact C-N 3.29Å; E1414-N1416 PolarHBondContact O-N 2.99Å; E1414-R1417 WeakPolarHBondContact O-CG 3.33Å; E1414-R1417 PolarHBondContact O-N 3.26Å; E1414-R1417 IonicContact OE1-CZ 3.4Å; E1414-R1417 IonicContact OE1-NH1 3.68Å; E1414-R1417 PolarHBondContact OE1-NH1 3.26Å; E1414-R1417 IonicContact OE1-NH2 2.73Å; E1414-R1417 PolarHBondContact OE1-NH2 3.39Å; E1414-N1455 PolarHBondContact OE2-ND2 3.38Å
1415	S	38	Very low	51.6	Low	79 Å²	79	93.6 Å²	93.6	55%	0.552	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-63.1	-20.3	178.3	54.5	0	0	0	0	115.7	N1413	N1413-S1415 PolarHBondContact O-N 3.08Å; N1413-S1415 VanDerWaalsContact O-N 3.08Å
1416	N	42.9	Very low	54.1	Low	135 Å²	135	89.4 Å²	89.4	72%	0.722	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-89.9	-0.4	179	-89.7	-17.2	0	0	0	114.3	N1413 E1414 N1418	N1413-N1416 PolarHBondContact O-N 3.45Å; E1414-N1416 VanDerWaalsContact C-N 3.29Å; E1414-N1416 PolarHBondContact O-N 2.99Å; N1416-N1418 PolarHBondContact O-N 3.24Å
1417	R	49.3	Very low	56.8	Low	81 Å²	81	80.1 Å²	80.1	31%	0.306	42%	0.424	S	S	.	.	S	Bend	trans	-60.2	116.3	167.8	-73.4	-177.6	-178.6	156.2	12.1	108.7	E1414 H1419	E1414-R1417 WeakPolarHBondContact O-CG 3.33Å; E1414-R1417 PolarHBondContact O-N 3.26Å; E1414-R1417 IonicContact OE1-CZ 3.4Å; E1414-R1417 IonicContact OE1-NH1 3.68Å; E1414-R1417 PolarHBondContact OE1-NH1 3.26Å; E1414-R1417 IonicContact OE1-NH2 2.73Å; E1414-R1417 PolarHBondContact OE1-NH2 3.39Å; R1417-H1419 WeakPolarHBondContact O-CA 3.34Å; R1417-H1419 PolarHBondContact O-N 2.9Å
1418	N	56.8	Low	59.6	Low	8 Å²	8	76.2 Å²	76.2	4%	0.043	40%	0.4	C	S	.	.	S	Bend	trans	32	30.6	156.2	-87.7	-11	0	0	0	119.1	N1399 N1416 L1420 L1421 D1422 L1460	N1399-N1418 PolarHBondContact ND2-ND2 3.41Å; N1399-N1418 PolarHBondContact OD1-ND2 3.43Å; N1399-N1418 PolarHBondContact OD1-OD1 3.46Å; N1416-N1418 PolarHBondContact O-N 3.24Å; N1418-L1420 PolarHBondContact O-N 3.43Å; N1418-L1421 PolarHBondContact O-N 2.98Å; N1418-D1422 PolarHBondContact O-N 3.15Å; N1418-L1460 HydrophobicContact CB-CD1 3.6Å; N1418-L1460 VanDerWaalsContact ND2-CD1 3.26Å; N1418-L1460 WeakPolarHBondContact ND2-CD1 3.27Å
1419	H	64.9	Low	62.5	Low	139 Å²	139	72 Å²	72	64%	0.644	37%	0.37	S	S	*	.	H	α-helix	trans	-59.4	-28.7	-163.6	-172.5	64.1	0	0	0	112.5	R1417	R1417-H1419 WeakPolarHBondContact O-CA 3.34Å; R1417-H1419 PolarHBondContact O-N 2.9Å
1420	L	66.4	Low	65.1	Low	59 Å²	59	62.7 Å²	62.7	31%	0.309	33%	0.327	S	S	.	.	H	α-helix	trans	-69.7	-34.3	174.5	-75.3	153.2	0	0	0	114.4	P1357 Y1358 N1418 R1426	P1357-L1420 HydrophobicContact CB-CB 4.12Å; Y1358-L1420 HydrophobicContact CD1-CD1 4.04Å; Y1358-L1420 HydrophobicContact CE1-CD1 3.58Å; N1418-L1420 PolarHBondContact O-N 3.43Å; L1420-R1426 WeakPolarHBondContact O-CB 3.39Å; L1420-R1426 WeakPolarHBondContact O-CD 3.23Å
1421	L	73	Confident	68.1	Low	1 Å²	1	56 Å²	56	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-97.1	-20.6	177.9	-73.9	-177.3	0	0	0	113.6	P1357 V1382 L1397 N1418 D1423 L1460	P1357-L1421 HydrophobicContact CB-CD1 4.29Å; P1357-L1421 HydrophobicContact CB-CD2 4.28Å; P1357-L1421 HydrophobicContact CB-CG 3.87Å; P1357-L1421 HydrophobicContact CG-CD1 3.72Å; P1357-L1421 HydrophobicContact CG-CG 3.86Å; V1382-L1421 HydrophobicContact CG2-CD2 3.77Å; L1397-L1421 HydrophobicContact CD2-CD1 3.43Å; L1397-L1421 VanDerWaalsContact CD2-CD1 3.43Å; N1418-L1421 PolarHBondContact O-N 2.98Å; L1421-D1423 PolarHBondContact O-N 3.07Å; L1421-L1460 HydrophobicContact CB-CD1 4.19Å; L1421-L1460 HydrophobicContact CB-CD2 4.45Å
1422	D	77.8	Confident	71.1	Confident	29 Å²	29	47.1 Å²	47.1	16%	0.155	25%	0.249	C	C	.	.	H	α-helix	trans	-68.7	-17	169.3	-83	-38.7	0	0	0	112	N1418 L1424 N1459 L1460	N1418-D1422 PolarHBondContact O-N 3.15Å; D1422-L1424 PolarHBondContact O-N 2.87Å; D1422-N1459 PolarHBondContact O-ND2 3.29Å; D1422-L1460 WeakPolarHBondContact OD1-CB 3.42Å; D1422-L1460 WeakPolarHBondContact OD1-CD1 3.28Å; D1422-L1460 WeakPolarHBondContact OD1-CG 3.07Å; D1422-L1460 PolarHBondContact OD1-N 2.84Å
1423	D	85	Confident	74.1	Confident	46 Å²	46	42.3 Å²	42.3	25%	0.246	22%	0.216	C	C	.	.	S	Bend	trans	-63.2	110.4	167	-178.7	33	0	0	0	111.3	L1421 P1425 R1426 L1427	L1421-D1423 PolarHBondContact O-N 3.07Å; D1423-P1425 WeakPolarHBondContact OD1-CD 3.27Å; D1423-R1426 HydrophobicContact CB-CB 4.28Å; D1423-R1426 PolarHBondContact O-N 3.05Å; D1423-R1426 VanDerWaalsContact O-N 3.09Å; D1423-R1426 WeakPolarHBondContact OD2-CD 3.47Å; D1423-R1426 WeakPolarHBondContact OD2-CG 3.31Å; D1423-R1426 IonicContact OD2-CZ 3.14Å; D1423-R1426 IonicContact OD2-NE 2.78Å; D1423-R1426 IonicContact OD2-NH1 2.71Å; D1423-R1426 PolarHBondContact OD2-NH1 3.25Å; D1423-L1427 PolarHBondContact O-N 3.43Å
1424	L	90.1	Very high	77.1	Confident	47 Å²	47	37.2 Å²	37.2	25%	0.246	19%	0.189	C	C	.	.	H	α-helix	trans	-59.6	-42.3	-170.1	-169.7	69.2	0	0	0	113.8	L1254 N1255 D1422 L1427 T1428 N1459	L1254-L1424 HydrophobicContact CB-CD1 4.46Å; N1255-L1424 WeakPolarHBondContact ND2-CG 3.29Å; N1255-L1424 WeakPolarHBondContact OD1-CD1 3.19Å; N1255-L1424 WeakPolarHBondContact OD1-CD2 3.33Å; N1255-L1424 WeakPolarHBondContact OD1-CG 3.39Å; D1422-L1424 PolarHBondContact O-N 2.87Å; L1424-L1427 PolarHBondContact O-N 2.95Å; L1424-T1428 WeakPolarHBondContact O-CB 3.38Å; L1424-T1428 PolarHBondContact O-N 3.12Å; L1424-T1428 PolarHBondContact O-OG1 3.37Å; L1424-N1459 HydrophobicContact CD1-CB 4.02Å
1425	P	91.2	Very high	80	Confident	27 Å²	27	35.6 Å²	35.6	18%	0.175	18%	0.181	C	C	.	.	H	α-helix	trans	-49.9	-51.7	166.6	-36.3	39.2	0	0	0	115.7	Q1186 D1423 T1428 V1429	Q1186-P1425 WeakPolarHBondContact O-CB 3.48Å; D1423-P1425 WeakPolarHBondContact OD1-CD 3.27Å; P1425-T1428 WeakPolarHBondContact O-CB 3.4Å; P1425-T1428 PolarHBondContact O-N 3.09Å; P1425-V1429 PolarHBondContact O-N 3.47Å
1426	R	91.3	Very high	82.8	Confident	45 Å²	45	33.8 Å²	33.8	17%	0.17	16%	0.164	C	C	.	.	H	α-helix	trans	-65.1	-44	179.8	-82	176.6	-175.6	120.4	-5.9	111.1	L1187 V1382 D1383 L1420 D1423 T1428 V1429 A1430	L1187-R1426 HydrophobicContact CD2-CB 4.42Å; L1187-R1426 HydrophobicContact CD2-CG 3.43Å; L1187-R1426 VanDerWaalsContact CD2-CG 3.43Å; V1382-R1426 HydrophobicContact CG1-CB 4.09Å; V1382-R1426 HydrophobicContact CG1-CG 4.33Å; V1382-R1426 VanDerWaalsContact CG1-O 3.23Å; V1382-R1426 WeakPolarHBondContact CG1-O 3.37Å; D1383-R1426 IonicContact OD1-NE 2.89Å; D1383-R1426 PolarHBondContact OD1-NE 2.89Å; D1383-R1426 IonicContact OD1-NH2 3.4Å; L1420-R1426 WeakPolarHBondContact O-CB 3.39Å; L1420-R1426 WeakPolarHBondContact O-CD 3.23Å; D1423-R1426 HydrophobicContact CB-CB 4.28Å; D1423-R1426 PolarHBondContact O-N 3.05Å; D1423-R1426 VanDerWaalsContact O-N 3.09Å; D1423-R1426 WeakPolarHBondContact OD2-CD 3.47Å; D1423-R1426 WeakPolarHBondContact OD2-CG 3.31Å; D1423-R1426 IonicContact OD2-CZ 3.14Å; D1423-R1426 IonicContact OD2-NE 2.78Å; D1423-R1426 IonicContact OD2-NH1 2.71Å; D1423-R1426 PolarHBondContact OD2-NH1 3.25Å; R1426-T1428 VanDerWaalsContact C-N 3.26Å; R1426-T1428 PolarHBondContact O-N 3.13Å; R1426-V1429 PolarHBondContact O-N 3.29Å; R1426-A1430 PolarHBondContact O-N 3.05Å
1427	L	92.8	Very high	85.4	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-57	-45	175.5	-170.3	56.5	0	0	0	110.9	L1254 D1423 L1424 V1429 A1430 L1431 N1459 L1460 L1463	L1254-L1427 HydrophobicContact CD1-CD2 4.24Å; D1423-L1427 PolarHBondContact O-N 3.43Å; L1424-L1427 PolarHBondContact O-N 2.95Å; L1427-V1429 PolarHBondContact O-N 3.43Å; L1427-A1430 PolarHBondContact O-N 3.19Å; L1427-L1431 HydrophobicContact CD1-CD1 4.22Å; L1427-L1431 HydrophobicContact CD1-CG 4.27Å; L1427-L1431 HydrophobicContact CG-CD1 3.93Å; L1427-L1431 HydrophobicContact CG-CG 4.39Å; L1427-L1431 WeakPolarHBondContact O-CB 3.45Å; L1427-L1431 WeakPolarHBondContact O-CG 3.43Å; L1427-L1431 PolarHBondContact O-N 2.8Å; L1427-N1459 HydrophobicContact CD2-CB 4.18Å; L1427-L1460 HydrophobicContact CD1-CD2 3.82Å; L1427-L1460 HydrophobicContact CD2-CD2 4.24Å; L1427-L1463 HydrophobicContact CD1-CD2 3.97Å; L1427-L1463 HydrophobicContact CD2-CD2 4.34Å
1428	T	94	Very high	87.7	Confident	1 Å²	1	23.7 Å²	23.7	1%	0.006	12%	0.116	C	C	.	.	H	α-helix	trans	-61.2	-43.6	177.4	-60.1	0	0	0	0	112	Q1186 N1255 Y1256 L1424 P1425 R1426 T1432	Q1186-T1428 HydrophobicContact CG-CG2 4.25Å; N1255-T1428 PolarHBondContact ND2-OG1 3.36Å; N1255-T1428 PolarHBondContact OD1-OG1 3.25Å; Y1256-T1428 HydrophobicContact CE2-CG2 3.95Å; Y1256-T1428 WeakPolarHBondContact OH-CG2 3.37Å; L1424-T1428 WeakPolarHBondContact O-CB 3.38Å; L1424-T1428 PolarHBondContact O-N 3.12Å; L1424-T1428 PolarHBondContact O-OG1 3.37Å; P1425-T1428 WeakPolarHBondContact O-CB 3.4Å; P1425-T1428 PolarHBondContact O-N 3.09Å; R1426-T1428 VanDerWaalsContact C-N 3.26Å; R1426-T1428 PolarHBondContact O-N 3.13Å; T1428-T1432 HydrophobicContact CG2-CG2 4.2Å; T1428-T1432 VanDerWaalsContact O-CB 3.29Å; T1428-T1432 WeakPolarHBondContact O-CB 3.33Å; T1428-T1432 WeakPolarHBondContact O-CG2 3.32Å; T1428-T1432 PolarHBondContact O-N 3.18Å; T1428-T1432 VanDerWaalsContact O-N 3.1Å; T1428-T1432 PolarHBondContact O-OG1 3.34Å
1429	V	93.8	Very high	89.7	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.5	-52.2	174.4	170.7	0	0	0	0	110.3	Q1186 L1187 V1382 P1425 R1426 L1427 L1431 T1432 R1433	Q1186-V1429 HydrophobicContact CB-CG2 4.05Å; Q1186-V1429 HydrophobicContact CG-CG2 3.99Å; L1187-V1429 HydrophobicContact CD1-CG2 4.16Å; L1187-V1429 HydrophobicContact CG-CG2 3.85Å; V1382-V1429 HydrophobicContact CG1-CB 4.03Å; V1382-V1429 HydrophobicContact CG1-CG1 3.97Å; P1425-V1429 PolarHBondContact O-N 3.47Å; R1426-V1429 PolarHBondContact O-N 3.29Å; L1427-V1429 PolarHBondContact O-N 3.43Å; V1429-L1431 VanDerWaalsContact C-N 3.35Å; V1429-L1431 PolarHBondContact O-N 3.36Å; V1429-T1432 PolarHBondContact O-N 2.78Å; V1429-T1432 PolarHBondContact O-OG1 2.8Å; V1429-T1432 VanDerWaalsContact O-OG1 3.09Å; V1429-R1433 VanDerWaalsContact O-CG 3.24Å; V1429-R1433 WeakPolarHBondContact O-CG 3.5Å; V1429-R1433 PolarHBondContact O-N 2.97Å; V1429-R1433 PolarHBondContact O-NE 2.93Å
1430	A	94.5	Very high	91.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-55.8	-45.9	-178.3	0	0	0	0	0	112.7	I1355 V1382 L1395 R1426 L1427 T1432	I1355-A1430 HydrophobicContact CG2-CB 4.49Å; V1382-A1430 HydrophobicContact CG1-CB 4.16Å; V1382-A1430 HydrophobicContact CG2-CB 4.19Å; L1395-A1430 HydrophobicContact CD1-CB 4.06Å; L1395-A1430 HydrophobicContact CD2-CB 4.22Å; R1426-A1430 PolarHBondContact O-N 3.05Å; L1427-A1430 PolarHBondContact O-N 3.19Å; A1430-T1432 PolarHBondContact O-N 3.26Å
1431	L	95.2	Very high	92.4	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-69.3	-31.8	-178.9	-64.1	175.1	0	0	0	112.8	L1250 L1254 L1395 L1427 V1429 R1433 L1438 I1440 L1463	L1250-L1431 HydrophobicContact CB-CD1 4.17Å; L1250-L1431 HydrophobicContact CD1-CD2 4.01Å; L1254-L1431 HydrophobicContact CD1-CD1 3.97Å; L1395-L1431 HydrophobicContact CD2-CD2 4.42Å; L1427-L1431 HydrophobicContact CD1-CD1 4.22Å; L1427-L1431 HydrophobicContact CD1-CG 4.27Å; L1427-L1431 HydrophobicContact CG-CD1 3.93Å; L1427-L1431 HydrophobicContact CG-CG 4.39Å; L1427-L1431 WeakPolarHBondContact O-CB 3.45Å; L1427-L1431 WeakPolarHBondContact O-CG 3.43Å; L1427-L1431 PolarHBondContact O-N 2.8Å; V1429-L1431 VanDerWaalsContact C-N 3.35Å; V1429-L1431 PolarHBondContact O-N 3.36Å; L1431-R1433 VanDerWaalsContact C-N 3.35Å; L1431-R1433 PolarHBondContact O-N 3.45Å; L1431-L1438 HydrophobicContact CD2-CD2 3.77Å; L1431-I1440 HydrophobicContact CD2-CD1 4.05Å; L1431-L1463 HydrophobicContact CD1-CD1 3.99Å; L1431-L1463 HydrophobicContact CD1-CD2 4.3Å; L1431-L1463 HydrophobicContact CD2-CD1 4.42Å; L1431-L1463 HydrophobicContact CD2-CD2 4.18Å
1432	T	95	Very high	93.2	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	7.2	-172.3	59	0	0	0	0	114.5	P1020 R1242 M1243 S1251 T1428 V1429 A1430	P1020-T1432 HydrophobicContact CB-CG2 4.08Å; P1020-T1432 HydrophobicContact CG-CG2 3.59Å; R1242-T1432 WeakPolarHBondContact CD-O 3.4Å; R1242-T1432 PolarHBondContact NH1-O 3.49Å; M1243-T1432 HydrophobicContact CE-CG2 4.37Å; M1243-T1432 HydrophobicContact SD-CG2 3.94Å; S1251-T1432 WeakPolarHBondContact OG-CG2 3.05Å; T1428-T1432 HydrophobicContact CG2-CG2 4.2Å; T1428-T1432 VanDerWaalsContact O-CB 3.29Å; T1428-T1432 WeakPolarHBondContact O-CB 3.33Å; T1428-T1432 WeakPolarHBondContact O-CG2 3.32Å; T1428-T1432 PolarHBondContact O-N 3.18Å; T1428-T1432 VanDerWaalsContact O-N 3.1Å; T1428-T1432 PolarHBondContact O-OG1 3.34Å; V1429-T1432 PolarHBondContact O-N 2.78Å; V1429-T1432 PolarHBondContact O-OG1 2.8Å; V1429-T1432 VanDerWaalsContact O-OG1 3.09Å; A1430-T1432 PolarHBondContact O-N 3.26Å
1433	R	94.9	Very high	93.5	Very high	4 Å²	4	12.9 Å²	12.9	2%	0.015	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-21.5	175.6	-59	-46.8	99.2	164.9	2.2	113.6	I1355 F1385 R1388 D1389 K1390 I1393 V1429 L1431	I1355-R1433 HydrophobicContact CD1-CB 3.79Å; I1355-R1433 HydrophobicContact CD1-CG 3.6Å; F1385-R1433 HydrophobicContact CD1-CB 4.06Å; F1385-R1433 HydrophobicContact CD1-CG 3.74Å; F1385-R1433 HydrophobicContact CE1-CB 4.28Å; F1385-R1433 HydrophobicContact CE1-CG 4.44Å; F1385-R1433 WeakPolarHBondContact O-CD 3.38Å; R1388-R1433 WeakPolarHBondContact O-CD 3.4Å; D1389-R1433 VanDerWaalsContact CA-O 3.3Å; D1389-R1433 WeakPolarHBondContact CA-O 3.26Å; D1389-R1433 WeakPolarHBondContact CB-O 3.04Å; K1390-R1433 PolarHBondContact N-O 3.48Å; I1393-R1433 HydrophobicContact CD1-CB 4.03Å; I1393-R1433 HydrophobicContact CG1-CB 3.93Å; V1429-R1433 VanDerWaalsContact O-CG 3.24Å; V1429-R1433 WeakPolarHBondContact O-CG 3.5Å; V1429-R1433 PolarHBondContact O-N 2.97Å; V1429-R1433 PolarHBondContact O-NE 2.93Å; L1431-R1433 VanDerWaalsContact C-N 3.35Å; L1431-R1433 PolarHBondContact O-N 3.45Å
1434	A	97	Very high	93.3	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	134.2	-179.8	0	0	0	0	0	111.3	M1243 I1247 I1393 L1438	M1243-A1434 WeakPolarHBondContact CG-O 3.37Å; I1247-A1434 HydrophobicContact CD1-CB 4Å; I1247-A1434 HydrophobicContact CG2-CB 4.22Å; I1393-A1434 HydrophobicContact CB-CB 3.91Å; I1393-A1434 HydrophobicContact CG1-CB 3.88Å; A1434-L1438 HydrophobicContact CB-CB 3.84Å; A1434-L1438 HydrophobicContact CB-CD1 4.22Å
1435	Q	96.5	Very high	92.3	Very high	45 Å²	45	10.2 Å²	10.2	21%	0.21	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-51.7	174.3	-61.7	172.5	-3.8	0	0	111.9	R1242 N1244 D1389 K1390	R1242-Q1435 HydrophobicContact CG-CG 3.82Å; R1242-Q1435 WeakPolarHBondContact O-CA 3.33Å; R1242-Q1435 WeakPolarHBondContact O-CB 3.21Å; N1244-Q1435 PolarHBondContact N-O 2.96Å; N1244-Q1435 VanDerWaalsContact N-O 3.08Å; D1389-Q1435 PolarHBondContact OD2-NE2 3.15Å; K1390-Q1435 WeakPolarHBondContact O-CG 3.39Å; K1390-Q1435 PolarHBondContact O-N 2.96Å
1436	H	96.9	Very high	90.6	Very high	41 Å²	41	15.6 Å²	15.6	19%	0.19	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	-34.9	-169.7	-59	171	0	0	0	113.7	N1244 I1247 T1271 L1272 S1302 K1391	N1244-H1436 PolarHBondContact ND2-O 3.16Å; I1247-H1436 VanDerWaalsContact CD1-C 3.45Å; T1271-H1436 PolarHBondContact O-ND1 3.12Å; L1272-H1436 HydrophobicContact CD2-CB 3.79Å; L1272-H1436 HydrophobicContact CG-CB 4.34Å; S1302-H1436 WeakPolarHBondContact CB-O 3.3Å; S1302-H1436 PolarHBondContact OG-O 3.49Å; K1391-H1436 PolarHBondContact O-N 3.23Å
1437	K	97.4	Very high	88.3	Confident	4 Å²	4	20.6 Å²	20.6	2%	0.017	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	136.9	178.7	-166.1	164.4	-167.5	163.6	0	112	L1272 R1293 V1294 S1296 D1301 S1302 K1391 L1392 I1393 I1439	L1272-K1437 HydrophobicContact CD1-CB 3.74Å; L1272-K1437 HydrophobicContact CD1-CD 3.61Å; L1272-K1437 HydrophobicContact CD1-CG 4.27Å; L1272-K1437 HydrophobicContact CD2-CB 4.46Å; L1272-K1437 HydrophobicContact CG-CB 3.98Å; L1272-K1437 HydrophobicContact CG-CD 4.41Å; R1293-K1437 PolarHBondContact O-NZ 2.93Å; V1294-K1437 PolarHBondContact O-NZ 3.2Å; S1296-K1437 PolarHBondContact O-NZ 3.4Å; D1301-K1437 VanDerWaalsContact O-CE 3.26Å; D1301-K1437 WeakPolarHBondContact O-CE 3.21Å; S1302-K1437 CarbonylContact O-C 3.49Å; S1302-K1437 VanDerWaalsContact O-CA 3.3Å; S1302-K1437 WeakPolarHBondContact O-CA 3.31Å; K1391-K1437 PolarHBondContact O-N 3.15Å; L1392-K1437 WeakPolarHBondContact CA-O 3.34Å; L1392-K1437 HydrophobicContact CD1-CB 3.7Å; L1392-K1437 HydrophobicContact CD1-CD 4.31Å; L1392-K1437 HydrophobicContact CD1-CG 3.83Å; I1393-K1437 PolarHBondContact N-O 2.97Å; K1437-I1439 HydrophobicContact CG-CG1 4.35Å
1438	L	97.6	Very high	85.4	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	120.6	178.3	175.6	63.8	0	0	0	108.8	I1247 L1250 S1302 V1303 L1304 I1393 L1395 L1431 A1434 I1440	I1247-L1438 HydrophobicContact CD1-CB 4.41Å; I1247-L1438 HydrophobicContact CG1-CB 4.27Å; L1250-L1438 HydrophobicContact CD1-CD2 3.69Å; S1302-L1438 PolarHBondContact O-N 3.09Å; V1303-L1438 WeakPolarHBondContact CA-O 3.2Å; L1304-L1438 PolarHBondContact N-O 3.5Å; I1393-L1438 HydrophobicContact CB-CD1 4.04Å; I1393-L1438 HydrophobicContact CG2-CD1 3.87Å; I1393-L1438 WeakPolarHBondContact O-CA 3.42Å; L1395-L1438 HydrophobicContact CB-CD1 4.34Å; L1431-L1438 HydrophobicContact CD2-CD2 3.77Å; A1434-L1438 HydrophobicContact CB-CB 3.84Å; A1434-L1438 HydrophobicContact CB-CD1 4.22Å; L1438-I1440 HydrophobicContact CD1-CG1 4.44Å; L1438-I1440 HydrophobicContact CD2-CD1 4.25Å; L1438-I1440 HydrophobicContact CD2-CG1 4.28Å; L1438-I1440 HydrophobicContact CG-CG1 4.07Å
1439	I	97.4	Very high	82.8	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	113.2	176	-53.1	177.9	0	0	0	107.7	V1294 L1304 L1306 I1337 I1341 L1392 I1393 L1394 L1395 K1437 I1441	V1294-I1439 HydrophobicContact CG1-CD1 4.11Å; V1294-I1439 HydrophobicContact CG2-CD1 4.32Å; L1304-I1439 HydrophobicContact CB-CG1 4.49Å; L1304-I1439 HydrophobicContact CB-CG2 4.4Å; L1304-I1439 HydrophobicContact CD1-CG1 4.5Å; L1304-I1439 CarbonylContact O-C 3.55Å; L1304-I1439 WeakPolarHBondContact O-CA 2.82Å; L1306-I1439 HydrophobicContact CD1-CG2 3.73Å; L1306-I1439 HydrophobicContact CG-CG2 3.96Å; I1337-I1439 HydrophobicContact CG2-CD1 4.19Å; I1341-I1439 HydrophobicContact CD1-CD1 3.79Å; L1392-I1439 HydrophobicContact CD1-CD1 4.23Å; L1392-I1439 HydrophobicContact CD1-CG1 4.29Å; I1393-I1439 PolarHBondContact O-N 3.25Å; L1394-I1439 CarbonylContact C-O 3.57Å; L1394-I1439 WeakPolarHBondContact CA-O 3.34Å; L1394-I1439 HydrophobicContact CD2-CB 3.65Å; L1394-I1439 HydrophobicContact CD2-CD1 3.76Å; L1394-I1439 HydrophobicContact CD2-CG1 4Å; L1394-I1439 HydrophobicContact CD2-CG2 4.4Å; L1395-I1439 PolarHBondContact N-O 3.3Å; K1437-I1439 HydrophobicContact CG-CG1 4.35Å; I1439-I1441 HydrophobicContact CG2-CD1 4.41Å; I1439-I1441 HydrophobicContact CG2-CG1 4.04Å
1440	I	95.6	Very high	79.9	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	127.1	177.1	-51.3	179.9	0	0	0	107.6	L1304 L1305 L1306 L1395 L1397 L1431 L1438 L1463 I1467	L1304-I1440 PolarHBondContact O-N 3.09Å; L1305-I1440 CarbonylContact C-O 3.6Å; L1305-I1440 WeakPolarHBondContact CA-O 3.36Å; L1305-I1440 HydrophobicContact CD1-CB 3.95Å; L1305-I1440 HydrophobicContact CD1-CG2 3.75Å; L1306-I1440 PolarHBondContact N-O 3.12Å; L1395-I1440 HydrophobicContact CB-CG1 4.38Å; L1395-I1440 HydrophobicContact CD2-CD1 4.49Å; L1395-I1440 HydrophobicContact CD2-CG1 4.24Å; L1395-I1440 HydrophobicContact CD2-CG2 4.3Å; L1395-I1440 HydrophobicContact CG-CG2 4.49Å; L1395-I1440 CarbonylContact O-C 3.57Å; L1395-I1440 WeakPolarHBondContact O-CA 3.44Å; L1397-I1440 HydrophobicContact CD1-CG2 4.08Å; L1397-I1440 HydrophobicContact CD2-CG2 4.08Å; L1397-I1440 HydrophobicContact CG-CG2 4.06Å; L1431-I1440 HydrophobicContact CD2-CD1 4.05Å; L1438-I1440 HydrophobicContact CD1-CG1 4.44Å; L1438-I1440 HydrophobicContact CD2-CD1 4.25Å; L1438-I1440 HydrophobicContact CD2-CG1 4.28Å; L1438-I1440 HydrophobicContact CG-CG1 4.07Å; I1440-L1463 HydrophobicContact CD1-CD2 4.27Å; I1440-I1467 HydrophobicContact CD1-CD1 3.83Å
1441	I	93.5	Very high	77.2	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	122.9	-176.2	-58.1	170	0	0	0	108	L1306 T1308 E1330 L1333 I1334 I1337 L1395 L1397 I1439	L1306-I1441 HydrophobicContact CB-CG1 4.41Å; L1306-I1441 HydrophobicContact CD1-CG1 4.25Å; T1308-I1441 HydrophobicContact CG2-CG2 3.97Å; E1330-I1441 HydrophobicContact CG-CG2 3.97Å; L1333-I1441 HydrophobicContact CD2-CG2 3.57Å; I1334-I1441 HydrophobicContact CD1-CD1 4.38Å; I1334-I1441 HydrophobicContact CG1-CD1 3.51Å; I1337-I1441 HydrophobicContact CD1-CD1 3.68Å; L1395-I1441 PolarHBondContact O-N 3.09Å; L1397-I1441 WeakPolarHBondContact CG-O 3.37Å; L1397-I1441 PolarHBondContact N-O 3.31Å; I1439-I1441 HydrophobicContact CG2-CD1 4.41Å; I1439-I1441 HydrophobicContact CG2-CG1 4.04Å
1442	G	88.7	Confident	74.4	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159	176.9	172.8	0	0	0	0	0	113.5	L1306 D1307 T1308	L1306-G1442 PolarHBondContact O-N 3.3Å; D1307-G1442 WeakPolarHBondContact CA-O 3.29Å; T1308-G1442 PolarHBondContact N-O 3.25Å; T1308-G1442 VanDerWaalsContact N-O 3.07Å; T1308-G1442 WeakPolarHBondContact OG1-CA 2.97Å
1443	C	84.6	Confident	71.7	Confident	10 Å²	10	60.1 Å²	60.1	7%	0.068	31%	0.312	C	S	.	.			trans	-85.1	129.6	-174.1	-179.9	0	0	0	0	111.7	D1307 T1308 N1399 P1401 G1445	D1307-C1443 WeakPolarHBondContact OD1-CA 3.21Å; T1308-C1443 PolarHBondContact OG1-N 3.45Å; N1399-C1443 HydrophobicContact CB-CB 3.96Å; N1399-C1443 PolarHBondContact ND2-O 2.97Å; P1401-C1443 HydrophobicContact CG-CB 4.39Å; C1443-G1445 PolarHBondContact SG-N 3.2Å; C1443-G1445 VanDerWaalsContact SG-N 3.42Å
1444	T	80.5	Confident	69	Low	24 Å²	24	65.9 Å²	65.9	15%	0.147	35%	0.353	C	S	.	.			trans	-84.5	-10.7	176.2	71.1	0	0	0	0	114.8	L1305 D1307 F1464 Y1474	L1305-T1444 HydrophobicContact CD2-CG2 3.96Å; L1305-T1444 HydrophobicContact CG-CG2 4.45Å; D1307-T1444 HydrophobicContact CB-CG2 4.22Å; D1307-T1444 PolarHBondContact OD1-N 3.47Å; D1307-T1444 PolarHBondContact OD2-OG1 2.98Å; T1444-F1464 HydrophobicContact CG2-CD2 3.9Å; T1444-F1464 HydrophobicContact CG2-CE2 4.11Å; T1444-F1464 HydrophobicContact CG2-CG 4.15Å; T1444-Y1474 HydrophobicContact CG2-CE2 4.31Å
1445	G	69.8	Low	66.7	Low	13 Å²	13	70.3 Å²	70.3	13%	0.134	38%	0.376	C	S	.	.			trans	88.3	171.6	179.2	0	0	0	0	0	115.5	K1309 C1443	K1309-G1445 WeakPolarHBondContact CD-O 3.2Å; K1309-G1445 WeakPolarHBondContact CE-O 3.01Å; K1309-G1445 PolarHBondContact NZ-O 3.03Å; C1443-G1445 PolarHBondContact SG-N 3.2Å; C1443-G1445 VanDerWaalsContact SG-N 3.42Å
1446	Q	55.6	Low	64.7	Low	140 Å²	140	77 Å²	77	65%	0.654	41%	0.408	S	S	*	.			trans	-81.9	123.6	176.1	-73	-171.8	-10.8	0	0	110.9	N1448	Q1446-N1448 PolarHBondContact O-N 3.33Å
1447	H	42.2	Very low	63.2	Low	150 Å²	150	80.4 Å²	80.4	69%	0.694	43%	0.426	S	S	*	.	S	Bend	trans	-83.4	12.5	-179.4	-119.2	-78.6	0	0	0	113.8
1448	N	33.5	Very low	62.4	Low	150 Å²	150	82 Å²	82	80%	0.802	44%	0.436	S	S	*	.			trans	-112.4	41.5	-177.9	-67	6	0	0	0	111.9	Q1446	Q1446-N1448 PolarHBondContact O-N 3.33Å
1449	L	37.8	Very low	61.9	Low	113 Å²	113	83.9 Å²	83.9	59%	0.592	45%	0.446	S	S	*	.	S	Bend	trans	-78.2	122.1	157.9	-84.8	152.7	0	0	0	106.5
1450	P	33	Very low	61.3	Low	105 Å²	105	84.2 Å²	84.2	68%	0.682	45%	0.448	S	S	*	.			trans	-56.4	142.1	178.5	21.1	-29.9	0	0	0	110	N1452	P1450-N1452 PolarHBondContact O-N 3.1Å
1451	E	38	Very low	60.8	Low	197 Å²	197	88.3 Å²	88.3	92%	0.921	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	8.7	-172.8	-65.9	-177	151.5	0	0	115.7
1452	N	36.6	Very low	60.6	Low	149 Å²	149	92.8 Å²	92.8	80%	0.797	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	4.8	-173.8	-79.8	-4.3	0	0	0	116	P1450	P1450-N1452 PolarHBondContact O-N 3.1Å
1453	N	39.1	Very low	60.7	Low	117 Å²	117	92.9 Å²	92.9	63%	0.626	49%	0.487	S	S	*	.			trans	-110	107.9	164.5	-80.1	-10.4	0	0	0	109.6	N1455	N1453-N1455 PolarHBondContact O-N 3.17Å
1454	S	38.5	Very low	61	Low	125 Å²	125	93.1 Å²	93.1	87%	0.874	49%	0.487	S	S	*	.			trans	-66.1	38.2	170.2	49.5	0	0	0	0	113.2
1455	N	47.2	Very low	61.4	Low	93 Å²	93	95.4 Å²	95.4	50%	0.497	50%	0.504	S	S	.	.			trans	-78.8	126.5	180	-74.4	-3.6	0	0	0	109.6	E1414 N1453 I1457	E1414-N1455 PolarHBondContact OE2-ND2 3.38Å; N1453-N1455 PolarHBondContact O-N 3.17Å; N1455-I1457 PolarHBondContact O-N 2.98Å
1456	Q	54.9	Low	62.4	Low	186 Å²	186	95.9 Å²	95.9	87%	0.869	50%	0.503	S	S	*	.			trans	-42.7	127	-177.3	-71.9	173.5	-13.5	0	0	113	T1458	Q1456-T1458 PolarHBondContact O-N 2.89Å
1457	I	66.4	Low	64.2	Low	113 Å²	113	89.2 Å²	89.2	58%	0.579	47%	0.471	S	S	*	.			trans	-58.6	120	172.2	-56.8	174.3	0	0	0	109	N1455 Q1461 K1462	N1455-I1457 PolarHBondContact O-N 2.98Å; I1457-Q1461 HydrophobicContact CG2-CB 3.81Å; I1457-K1462 HydrophobicContact CG2-CG 3.74Å
1458	T	80.9	Confident	66.5	Low	37 Å²	37	85.5 Å²	85.5	23%	0.227	45%	0.453	C	S	.	.			trans	-67.7	159.4	178.5	59.3	0	0	0	0	112.1	Q1456 L1460 Q1461 K1462	Q1456-T1458 PolarHBondContact O-N 2.89Å; T1458-L1460 VanDerWaalsContact C-N 3.32Å; T1458-L1460 PolarHBondContact O-N 3.41Å; T1458-Q1461 PolarHBondContact O-N 2.85Å; T1458-Q1461 WeakPolarHBondContact OG1-CB 3.45Å; T1458-Q1461 WeakPolarHBondContact OG1-CG 3.4Å; T1458-Q1461 PolarHBondContact OG1-N 3.33Å; T1458-Q1461 PolarHBondContact OG1-OE1 2.8Å; T1458-K1462 PolarHBondContact O-N 2.79Å; T1458-K1462 VanDerWaalsContact O-N 3.15Å
1459	N	85.5	Confident	69.1	Low	39 Å²	39	82.3 Å²	82.3	21%	0.209	45%	0.448	C	S	.	.	H	α-helix	trans	-66.8	-34.2	179.5	-66.9	-42.9	0	0	0	112.2	D1422 L1424 L1427 K1462 L1463	D1422-N1459 PolarHBondContact O-ND2 3.29Å; L1424-N1459 HydrophobicContact CD1-CB 4.02Å; L1427-N1459 HydrophobicContact CD2-CB 4.18Å; N1459-K1462 PolarHBondContact O-N 2.82Å; N1459-L1463 PolarHBondContact O-N 2.92Å
1460	L	85.9	Confident	71.5	Confident	7 Å²	7	83.4 Å²	83.4	4%	0.037	45%	0.451	C	S	.	.	H	α-helix	trans	-66	-38.8	172.9	-72.6	175.9	0	0	0	112.6	N1418 L1421 D1422 L1427 T1458 K1462 L1463 F1464	N1418-L1460 HydrophobicContact CB-CD1 3.6Å; N1418-L1460 VanDerWaalsContact ND2-CD1 3.26Å; N1418-L1460 WeakPolarHBondContact ND2-CD1 3.27Å; L1421-L1460 HydrophobicContact CB-CD1 4.19Å; L1421-L1460 HydrophobicContact CB-CD2 4.45Å; D1422-L1460 WeakPolarHBondContact OD1-CB 3.42Å; D1422-L1460 WeakPolarHBondContact OD1-CD1 3.28Å; D1422-L1460 WeakPolarHBondContact OD1-CG 3.07Å; D1422-L1460 PolarHBondContact OD1-N 2.84Å; L1427-L1460 HydrophobicContact CD1-CD2 3.82Å; L1427-L1460 HydrophobicContact CD2-CD2 4.24Å; T1458-L1460 VanDerWaalsContact C-N 3.32Å; T1458-L1460 PolarHBondContact O-N 3.41Å; L1460-K1462 VanDerWaalsContact C-N 3.34Å; L1460-K1462 PolarHBondContact O-N 2.86Å; L1460-L1463 HydrophobicContact CD2-CD2 4.29Å; L1460-L1463 WeakPolarHBondContact O-CB 3.48Å; L1460-L1463 PolarHBondContact O-N 2.79Å; L1460-F1464 HydrophobicContact CB-CE2 4.07Å; L1460-F1464 HydrophobicContact CB-CZ 4.12Å; L1460-F1464 HydrophobicContact CD2-CZ 4.25Å; L1460-F1464 VanDerWaalsContact O-CD2 3.3Å; L1460-F1464 WeakPolarHBondContact O-CD2 3.15Å; L1460-F1464 WeakPolarHBondContact O-CG 3.01Å; L1460-F1464 PolarHBondContact O-N 3.44Å
1461	Q	85.4	Confident	74.2	Confident	86 Å²	86	79 Å²	79	40%	0.402	42%	0.422	S	S	.	.	H	α-helix	trans	-62.6	-41.4	175.2	-78.2	167	-24.6	0	0	112	I1457 T1458 L1463 F1464 S1465	I1457-Q1461 HydrophobicContact CG2-CB 3.81Å; T1458-Q1461 PolarHBondContact O-N 2.85Å; T1458-Q1461 WeakPolarHBondContact OG1-CB 3.45Å; T1458-Q1461 WeakPolarHBondContact OG1-CG 3.4Å; T1458-Q1461 PolarHBondContact OG1-N 3.33Å; T1458-Q1461 PolarHBondContact OG1-OE1 2.8Å; Q1461-L1463 VanDerWaalsContact C-N 3.33Å; Q1461-L1463 PolarHBondContact O-N 2.71Å; Q1461-F1464 PolarHBondContact O-N 2.71Å; Q1461-S1465 WeakPolarHBondContact O-CB 3.2Å; Q1461-S1465 PolarHBondContact O-N 3.24Å; Q1461-S1465 PolarHBondContact O-OG 3.33Å
1462	K	88.1	Confident	76.5	Confident	95 Å²	95	71.6 Å²	71.6	41%	0.413	40%	0.398	S	S	.	.	H	α-helix	trans	-61.3	-42.2	173.3	-65.6	175.5	-172.5	169.3	0	111.6	L1254 I1457 T1458 N1459 L1460 S1465 F1466	L1254-K1462 HydrophobicContact CD2-CB 3.9Å; I1457-K1462 HydrophobicContact CG2-CG 3.74Å; T1458-K1462 PolarHBondContact O-N 2.79Å; T1458-K1462 VanDerWaalsContact O-N 3.15Å; N1459-K1462 PolarHBondContact O-N 2.82Å; L1460-K1462 VanDerWaalsContact C-N 3.34Å; L1460-K1462 PolarHBondContact O-N 2.86Å; K1462-S1465 PolarHBondContact O-OG 3.23Å; K1462-S1465 VanDerWaalsContact O-OG 3.1Å; K1462-F1466 VanDerWaalsContact O-CB 3.27Å; K1462-F1466 WeakPolarHBondContact O-CB 3.36Å; K1462-F1466 PolarHBondContact O-N 3.14Å
1463	L	91.2	Very high	78.9	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.005	36%	0.361	C	S	.	.	H	α-helix	trans	-61.1	-48.6	175.6	174.3	65.8	0	0	0	111.3	L1250 L1254 L1427 L1431 I1440 N1459 L1460 Q1461 F1466 I1467	L1250-L1463 HydrophobicContact CB-CD1 4.34Å; L1250-L1463 HydrophobicContact CD1-CD1 4.49Å; L1250-L1463 HydrophobicContact CD2-CD1 3.73Å; L1250-L1463 HydrophobicContact CG-CD1 4.44Å; L1254-L1463 HydrophobicContact CD1-CB 4.09Å; L1254-L1463 HydrophobicContact CD1-CD1 3.88Å; L1427-L1463 HydrophobicContact CD1-CD2 3.97Å; L1427-L1463 HydrophobicContact CD2-CD2 4.34Å; L1431-L1463 HydrophobicContact CD1-CD1 3.99Å; L1431-L1463 HydrophobicContact CD1-CD2 4.3Å; L1431-L1463 HydrophobicContact CD2-CD1 4.42Å; L1431-L1463 HydrophobicContact CD2-CD2 4.18Å; I1440-L1463 HydrophobicContact CD1-CD2 4.27Å; N1459-L1463 PolarHBondContact O-N 2.92Å; L1460-L1463 HydrophobicContact CD2-CD2 4.29Å; L1460-L1463 WeakPolarHBondContact O-CB 3.48Å; L1460-L1463 PolarHBondContact O-N 2.79Å; Q1461-L1463 VanDerWaalsContact C-N 3.33Å; Q1461-L1463 PolarHBondContact O-N 2.71Å; L1463-F1466 PolarHBondContact O-N 3.15Å; L1463-I1467 HydrophobicContact CD1-CD1 3.83Å; L1463-I1467 HydrophobicContact CD1-CG1 4.22Å; L1463-I1467 HydrophobicContact CG-CD1 3.87Å; L1463-I1467 VanDerWaalsContact O-CG1 3.31Å; L1463-I1467 WeakPolarHBondContact O-CG1 2.91Å; L1463-I1467 PolarHBondContact O-N 2.81Å
1464	F	90.9	Very high	81.4	Confident	16 Å²	16	62 Å²	62	7%	0.07	34%	0.343	C	S	.	.	H	α-helix	trans	-66.7	-41	-178	-59.3	-25.4	0	0	0	112.1	L1305 L1397 T1444 L1460 Q1461 F1466 I1467 K1468	L1305-F1464 HydrophobicContact CD1-CD1 4.24Å; L1305-F1464 HydrophobicContact CD1-CE1 4.04Å; L1305-F1464 HydrophobicContact CD2-CB 4.16Å; L1305-F1464 HydrophobicContact CD2-CD1 3.49Å; L1305-F1464 VanDerWaalsContact CD2-CD1 3.49Å; L1305-F1464 HydrophobicContact CD2-CE1 4.13Å; L1305-F1464 HydrophobicContact CD2-CG 3.98Å; L1397-F1464 HydrophobicContact CD1-CE1 4.13Å; L1397-F1464 HydrophobicContact CD1-CZ 3.67Å; T1444-F1464 HydrophobicContact CG2-CD2 3.9Å; T1444-F1464 HydrophobicContact CG2-CE2 4.11Å; T1444-F1464 HydrophobicContact CG2-CG 4.15Å; L1460-F1464 HydrophobicContact CB-CE2 4.07Å; L1460-F1464 HydrophobicContact CB-CZ 4.12Å; L1460-F1464 HydrophobicContact CD2-CZ 4.25Å; L1460-F1464 VanDerWaalsContact O-CD2 3.3Å; L1460-F1464 WeakPolarHBondContact O-CD2 3.15Å; L1460-F1464 WeakPolarHBondContact O-CG 3.01Å; L1460-F1464 PolarHBondContact O-N 3.44Å; Q1461-F1464 PolarHBondContact O-N 2.71Å; F1464-F1466 VanDerWaalsContact C-N 3.32Å; F1464-F1466 PolarHBondContact O-N 2.88Å; F1464-I1467 PolarHBondContact O-N 3.43Å; F1464-K1468 WeakPolarHBondContact O-CB 3.41Å; F1464-K1468 VanDerWaalsContact O-CG 3.25Å; F1464-K1468 WeakPolarHBondContact O-CG 3.33Å; F1464-K1468 PolarHBondContact O-N 2.61Å
1465	S	89.3	Confident	83.9	Confident	72 Å²	72	57.4 Å²	57.4	50%	0.503	31%	0.308	S	S	.	.	H	α-helix	trans	-63.1	-40.9	175.2	77.3	0	0	0	0	111	Q1461 K1462 K1468 A1469	Q1461-S1465 WeakPolarHBondContact O-CB 3.2Å; Q1461-S1465 PolarHBondContact O-N 3.24Å; Q1461-S1465 PolarHBondContact O-OG 3.33Å; K1462-S1465 PolarHBondContact O-OG 3.23Å; K1462-S1465 VanDerWaalsContact O-OG 3.1Å; S1465-K1468 PolarHBondContact O-N 2.68Å; S1465-A1469 VanDerWaalsContact O-CB 3.26Å; S1465-A1469 WeakPolarHBondContact O-CB 2.99Å; S1465-A1469 PolarHBondContact O-N 3.32Å
1466	F	91.4	Very high	85.9	Confident	23 Å²	23	55.6 Å²	55.6	10%	0.101	30%	0.3	C	S	.	.	H	α-helix	trans	-65.2	-42.6	176.6	-174.3	-101.7	0	0	0	112.4	A1249 L1250 H1253 K1462 L1463 F1464 K1468 M1470 I1471	A1249-F1466 HydrophobicContact CB-CE1 4.21Å; A1249-F1466 HydrophobicContact CB-CZ 4.29Å; L1250-F1466 HydrophobicContact CD2-CD1 3.92Å; L1250-F1466 HydrophobicContact CD2-CE1 4.19Å; H1253-F1466 HydrophobicContact CB-CD2 4.3Å; H1253-F1466 HydrophobicContact CB-CE1 4.21Å; H1253-F1466 HydrophobicContact CB-CE2 3.83Å; H1253-F1466 HydrophobicContact CB-CZ 3.78Å; H1253-F1466 AromaticContact CD2-CD2 3.33Å; H1253-F1466 WeakPolarHBondContact CD2-CD2 3.39Å; H1253-F1466 AromaticContact CD2-CE2 3.67Å; H1253-F1466 AromaticContact CD2-CG 3.81Å; H1253-F1466 AromaticContact CG-CD2 3.67Å; H1253-F1466 AromaticContact CG-CE2 3.47Å; H1253-F1466 VanDerWaalsContact CG-CE2 3.47Å; H1253-F1466 AromaticContact CG-CZ 3.97Å; H1253-F1466 AromaticContact ND1-CE2 3.75Å; H1253-F1466 AromaticContact NE2-CD2 3.62Å; K1462-F1466 VanDerWaalsContact O-CB 3.27Å; K1462-F1466 WeakPolarHBondContact O-CB 3.36Å; K1462-F1466 PolarHBondContact O-N 3.14Å; L1463-F1466 PolarHBondContact O-N 3.15Å; F1464-F1466 VanDerWaalsContact C-N 3.32Å; F1464-F1466 PolarHBondContact O-N 2.88Å; F1466-K1468 PolarHBondContact O-N 3.27Å; F1466-M1470 HydrophobicContact CD2-CB 3.96Å; F1466-M1470 HydrophobicContact CD2-CG 3.78Å; F1466-M1470 HydrophobicContact CE2-CB 3.75Å; F1466-M1470 HydrophobicContact CE2-CG 3.67Å; F1466-M1470 HydrophobicContact CG-CB 4.45Å; F1466-M1470 HydrophobicContact CZ-CB 4.06Å; F1466-M1470 HydrophobicContact CZ-CG 4.45Å; F1466-M1470 WeakPolarHBondContact O-CB 3.19Å; F1466-M1470 PolarHBondContact O-N 2.89Å; F1466-I1471 HydrophobicContact CD1-CD1 4.3Å; F1466-I1471 HydrophobicContact CD1-CG1 4.49Å; F1466-I1471 HydrophobicContact CE1-CD1 4.1Å; F1466-I1471 HydrophobicContact CE1-CG1 4.21Å; F1466-I1471 PolarHBondContact O-N 2.71Å
1467	I	92.7	Very high	87.5	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.259	C	S	.	.	I	π-helix	trans	-61.8	-45.4	175.5	-69	167.1	0	0	0	110.7	L1250 V1303 L1305 I1440 L1463 F1464 I1471 G1472 G1473	L1250-I1467 HydrophobicContact CD2-CD1 4.28Å; L1250-I1467 HydrophobicContact CD2-CG1 3.71Å; V1303-I1467 HydrophobicContact CG1-CD1 4.35Å; V1303-I1467 HydrophobicContact CG1-CG1 4.32Å; L1305-I1467 HydrophobicContact CB-CD1 4.4Å; L1305-I1467 HydrophobicContact CB-CG2 4Å; L1305-I1467 HydrophobicContact CD2-CD1 4.43Å; I1440-I1467 HydrophobicContact CD1-CD1 3.83Å; L1463-I1467 HydrophobicContact CD1-CD1 3.83Å; L1463-I1467 HydrophobicContact CD1-CG1 4.22Å; L1463-I1467 HydrophobicContact CG-CD1 3.87Å; L1463-I1467 VanDerWaalsContact O-CG1 3.31Å; L1463-I1467 WeakPolarHBondContact O-CG1 2.91Å; L1463-I1467 PolarHBondContact O-N 2.81Å; F1464-I1467 PolarHBondContact O-N 3.43Å; I1467-I1471 HydrophobicContact CG1-CD1 4.34Å; I1467-I1471 PolarHBondContact O-N 2.8Å; I1467-G1472 PolarHBondContact O-N 3.43Å; I1467-G1473 WeakPolarHBondContact CG2-O 2.97Å
1468	K	90.1	Very high	88.4	Confident	72 Å²	72	44.1 Å²	44.1	31%	0.313	25%	0.249	S	C	.	.	I	π-helix	trans	-64.5	-47.7	-179.9	-73.2	173.3	-178.5	-175.1	0	112.2	F1464 S1465 F1466 Y1474	F1464-K1468 WeakPolarHBondContact O-CB 3.41Å; F1464-K1468 VanDerWaalsContact O-CG 3.25Å; F1464-K1468 WeakPolarHBondContact O-CG 3.33Å; F1464-K1468 PolarHBondContact O-N 2.61Å; S1465-K1468 PolarHBondContact O-N 2.68Å; F1466-K1468 PolarHBondContact O-N 3.27Å; K1468-Y1474 HydrophobicContact CD-CD2 4.33Å; K1468-Y1474 HydrophobicContact CD-CE2 4.4Å; K1468-Y1474 HydrophobicContact CD-CG 4.43Å; K1468-Y1474 VanDerWaalsContact CE-CD2 3.46Å; K1468-Y1474 VanDerWaalsContact CE-CZ 3.44Å; K1468-Y1474 HydrophobicContact CG-CD1 4.23Å; K1468-Y1474 HydrophobicContact CG-CD2 3.91Å; K1468-Y1474 HydrophobicContact CG-CE2 4.46Å; K1468-Y1474 HydrophobicContact CG-CG 3.75Å
1469	A	89.3	Confident	88.4	Confident	83 Å²	83	46.6 Å²	46.6	69%	0.686	27%	0.268	S	S	*	.	I	π-helix	trans	-84	-40.7	-172.2	0	0	0	0	0	113.8	S1465	S1465-A1469 VanDerWaalsContact O-CB 3.26Å; S1465-A1469 WeakPolarHBondContact O-CB 2.99Å; S1465-A1469 PolarHBondContact O-N 3.32Å
1470	M	88.1	Confident	88.1	Confident	135 Å²	135	49.1 Å²	49.1	67%	0.665	28%	0.281	S	S	*	.	I	π-helix	trans	-107.6	-31.5	-168.5	-68.3	-70.2	-160.7	0	0	114.1	F1466	F1466-M1470 HydrophobicContact CD2-CB 3.96Å; F1466-M1470 HydrophobicContact CD2-CG 3.78Å; F1466-M1470 HydrophobicContact CE2-CB 3.75Å; F1466-M1470 HydrophobicContact CE2-CG 3.67Å; F1466-M1470 HydrophobicContact CG-CB 4.45Å; F1466-M1470 HydrophobicContact CZ-CB 4.06Å; F1466-M1470 HydrophobicContact CZ-CG 4.45Å; F1466-M1470 WeakPolarHBondContact O-CB 3.19Å; F1466-M1470 PolarHBondContact O-N 2.89Å
1471	I	89.8	Confident	88	Confident	14 Å²	14	49 Å²	49	7%	0.072	28%	0.28	C	S	.	.	I	π-helix	trans	-93	-39.6	-179	-64.3	-175.9	0	0	0	111.5	L1250 V1303 F1466 I1467 G1473	L1250-I1471 HydrophobicContact CD2-CD1 3.22Å; L1250-I1471 HydrophobicContact CG-CD1 3.92Å; V1303-I1471 HydrophobicContact CB-CD1 4.32Å; V1303-I1471 HydrophobicContact CB-CG2 4.01Å; V1303-I1471 HydrophobicContact CG1-CD1 4.19Å; V1303-I1471 HydrophobicContact CG1-CG2 4.41Å; V1303-I1471 HydrophobicContact CG2-CD1 4.42Å; F1466-I1471 HydrophobicContact CD1-CD1 4.3Å; F1466-I1471 HydrophobicContact CD1-CG1 4.49Å; F1466-I1471 HydrophobicContact CE1-CD1 4.1Å; F1466-I1471 HydrophobicContact CE1-CG1 4.21Å; F1466-I1471 PolarHBondContact O-N 2.71Å; I1467-I1471 HydrophobicContact CG1-CD1 4.34Å; I1467-I1471 PolarHBondContact O-N 2.8Å; I1471-G1473 VanDerWaalsContact C-N 3.29Å
1472	G	86.1	Confident	87.7	Confident	41 Å²	41	46.6 Å²	46.6	42%	0.423	27%	0.272	S	S	.	.			trans	81.1	7.7	-173.9	0	0	0	0	0	113.7	R1293 I1467 Y1474	R1293-G1472 PolarHBondContact NH1-O 2.73Å; R1293-G1472 PolarHBondContact NH2-O 3.38Å; I1467-G1472 PolarHBondContact O-N 3.43Å; G1472-Y1474 VanDerWaalsContact C-N 3.33Å; G1472-Y1474 PolarHBondContact O-N 3.35Å; G1472-Y1474 VanDerWaalsContact O-N 3.16Å
1473	G	86.6	Confident	87.3	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	29%	0.286	C	S	.	.			trans	-84.5	45.8	-175.3	0	0	0	0	0	114.8	V1303 L1304 L1305 I1467 I1471	V1303-G1473 VanDerWaalsContact O-CA 3.28Å; V1303-G1473 WeakPolarHBondContact O-CA 3.47Å; L1304-G1473 CarbonylContact C-O 3.4Å; L1304-G1473 WeakPolarHBondContact CA-O 3.42Å; L1305-G1473 PolarHBondContact N-O 3.49Å; I1467-G1473 WeakPolarHBondContact CG2-O 2.97Å; I1471-G1473 VanDerWaalsContact C-N 3.29Å
1474	Y	91.8	Very high	86.8	Confident	63 Å²	63	52.9 Å²	52.9	25%	0.247	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	130.1	-173.9	176.5	-103	0	0	0	112.4	R1293 L1305 D1307 T1444 K1468 G1472 T1476	R1293-Y1474 PolarHBondContact NH1-O 3.26Å; L1305-Y1474 HydrophobicContact CB-CD2 4.32Å; L1305-Y1474 HydrophobicContact CD2-CD2 3.85Å; L1305-Y1474 HydrophobicContact CD2-CE2 4.25Å; L1305-Y1474 HydrophobicContact CG-CD2 4.01Å; L1305-Y1474 HydrophobicContact CG-CE2 4.45Å; D1307-Y1474 HydrophobicContact CB-CE2 3.78Å; D1307-Y1474 PolarHBondContact OD2-OH 3.42Å; T1444-Y1474 HydrophobicContact CG2-CE2 4.31Å; K1468-Y1474 HydrophobicContact CD-CD2 4.33Å; K1468-Y1474 HydrophobicContact CD-CE2 4.4Å; K1468-Y1474 HydrophobicContact CD-CG 4.43Å; K1468-Y1474 VanDerWaalsContact CE-CD2 3.46Å; K1468-Y1474 VanDerWaalsContact CE-CZ 3.44Å; K1468-Y1474 HydrophobicContact CG-CD1 4.23Å; K1468-Y1474 HydrophobicContact CG-CD2 3.91Å; K1468-Y1474 HydrophobicContact CG-CE2 4.46Å; K1468-Y1474 HydrophobicContact CG-CG 3.75Å; G1472-Y1474 VanDerWaalsContact C-N 3.33Å; G1472-Y1474 PolarHBondContact O-N 3.35Å; G1472-Y1474 VanDerWaalsContact O-N 3.16Å; Y1474-T1476 PolarHBondContact OH-OG1 2.85Å
1475	E	91.3	Very high	86.2	Confident	30 Å²	30	52.4 Å²	52.4	14%	0.14	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	135.5	176	-70.2	-61.9	155.3	0	0	110.1	L1289 W1290 R1293 L1305 L1306 D1307	L1289-E1475 WeakPolarHBondContact CD2-OE1 3.17Å; W1290-E1475 HydrophobicContact CB-CB 4.01Å; W1290-E1475 HydrophobicContact CB-CG 4.08Å; R1293-E1475 WeakPolarHBondContact CD-OE1 3.14Å; R1293-E1475 IonicContact CZ-OE1 3.54Å; R1293-E1475 IonicContact NE-OE1 2.73Å; R1293-E1475 IonicContact NH1-OE1 3.9Å; R1293-E1475 PolarHBondContact NH1-OE1 2.93Å; L1305-E1475 PolarHBondContact O-N 3.21Å; L1306-E1475 HydrophobicContact CD2-CB 4.01Å; D1307-E1475 PolarHBondContact N-O 3.25Å
1476	T	87.7	Confident	85.5	Confident	55 Å²	55	53.3 Å²	53.3	34%	0.337	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	121.5	171.3	-52.1	0	0	0	0	109	M1310 Y1474 P1478	M1310-T1476 HydrophobicContact CG-CG2 3.81Å; Y1474-T1476 PolarHBondContact OH-OG1 2.85Å; T1476-P1478 WeakPolarHBondContact O-CD 3.19Å
1477	L	88.5	Confident	84.5	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-72.9	126.1	-179.1	-67.2	175.1	0	0	0	110.4	W1290 L1306 D1307 T1308 M1310 L1311 L1333	W1290-L1477 HydrophobicContact CB-CD2 4.1Å; W1290-L1477 HydrophobicContact CD2-CD2 3.32Å; W1290-L1477 HydrophobicContact CE3-CD2 3.59Å; W1290-L1477 HydrophobicContact CG-CD2 3.55Å; W1290-L1477 HydrophobicContact CH2-CD2 4.45Å; W1290-L1477 HydrophobicContact CZ2-CD2 4.28Å; W1290-L1477 HydrophobicContact CZ3-CD2 4.12Å; L1306-L1477 HydrophobicContact CB-CD1 4.08Å; L1306-L1477 HydrophobicContact CB-CD2 4.49Å; L1306-L1477 HydrophobicContact CB-CG 4.26Å; D1307-L1477 PolarHBondContact O-N 2.71Å; T1308-L1477 HydrophobicContact CG2-CD1 4.11Å; M1310-L1477 WeakPolarHBondContact CB-O 3.5Å; L1311-L1477 HydrophobicContact CD1-CB 3.91Å; L1311-L1477 HydrophobicContact CD1-CD1 3.67Å; L1311-L1477 HydrophobicContact CD1-CG 4.47Å; L1311-L1477 HydrophobicContact CG-CB 4.43Å; L1333-L1477 HydrophobicContact CD1-CD1 4.42Å; L1333-L1477 HydrophobicContact CD2-CD1 3.43Å; L1333-L1477 VanDerWaalsContact CD2-CD1 3.43Å
1478	P	85.5	Confident	82.7	Confident	57 Å²	57	60 Å²	60	37%	0.37	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-57.3	150.6	176.6	-27.7	36.3	0	0	0	113.4	T1476 N1480 T1481	T1476-P1478 WeakPolarHBondContact O-CD 3.19Å; P1478-N1480 WeakPolarHBondContact CB-OD1 3.47Å; P1478-N1480 PolarHBondContact O-N 2.65Å; P1478-T1481 WeakPolarHBondContact CD-OG1 3.33Å; P1478-T1481 WeakPolarHBondContact O-CB 3.5Å; P1478-T1481 PolarHBondContact O-N 2.7Å; P1478-T1481 PolarHBondContact O-OG1 3.44Å
1479	S	80.4	Confident	80.4	Confident	90 Å²	90	64.4 Å²	64.4	63%	0.629	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-26.1	-179.4	56.6	0	0	0	0	114.1	M1310 T1481	M1310-S1479 VanDerWaalsContact O-CA 3.28Å; M1310-S1479 WeakPolarHBondContact O-CA 3.48Å; M1310-S1479 VanDerWaalsContact O-CB 3.22Å; M1310-S1479 WeakPolarHBondContact O-CB 3.4Å; S1479-T1481 VanDerWaalsContact C-N 3.29Å; S1479-T1481 PolarHBondContact O-N 3.31Å
1480	N	81.1	Confident	80	Confident	91 Å²	91	63.5 Å²	63.5	49%	0.487	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	3.8	175.5	66.9	-24.4	0	0	0	114	P1478 V1482 K1483 W1484	P1478-N1480 WeakPolarHBondContact CB-OD1 3.47Å; P1478-N1480 PolarHBondContact O-N 2.65Å; N1480-V1482 PolarHBondContact O-N 3.39Å; N1480-K1483 PolarHBondContact O-N 2.64Å; N1480-W1484 WeakPolarHBondContact O-CB 3.19Å; N1480-W1484 PolarHBondContact O-N 2.76Å
1481	T	83.6	Confident	79.5	Confident	4 Å²	4	59.7 Å²	59.7	3%	0.025	33%	0.328	C	S	.	.	H	α-helix	trans	-58.6	-42.8	-174.7	-62.2	0	0	0	0	113.1	W1290 L1333 P1478 S1479 K1483 W1484 I1485	W1290-T1481 HydrophobicContact CH2-CG2 4.21Å; W1290-T1481 HydrophobicContact CZ2-CG2 3.68Å; L1333-T1481 HydrophobicContact CD1-CG2 4.49Å; P1478-T1481 WeakPolarHBondContact CD-OG1 3.33Å; P1478-T1481 WeakPolarHBondContact O-CB 3.5Å; P1478-T1481 PolarHBondContact O-N 2.7Å; P1478-T1481 PolarHBondContact O-OG1 3.44Å; S1479-T1481 VanDerWaalsContact C-N 3.29Å; S1479-T1481 PolarHBondContact O-N 3.31Å; T1481-K1483 PolarHBondContact O-N 2.87Å; T1481-W1484 PolarHBondContact O-N 2.75Å; T1481-I1485 HydrophobicContact CG2-CD1 3.9Å; T1481-I1485 HydrophobicContact CG2-CG1 4.39Å; T1481-I1485 WeakPolarHBondContact O-CG1 3.38Å; T1481-I1485 PolarHBondContact O-N 3.42Å
1482	V	78.2	Confident	79	Confident	36 Å²	36	62.3 Å²	62.3	22%	0.218	34%	0.343	C	S	.	.	H	α-helix	trans	-63.2	-44.3	177.5	-172.7	0	0	0	0	111.2	L1311 T1329 N1480 W1484 I1485 N1486	L1311-V1482 HydrophobicContact CD2-CG2 3.37Å; T1329-V1482 HydrophobicContact CG2-CG2 3.6Å; N1480-V1482 PolarHBondContact O-N 3.39Å; V1482-W1484 VanDerWaalsContact C-N 3.31Å; V1482-W1484 PolarHBondContact O-N 3.08Å; V1482-I1485 PolarHBondContact O-N 2.72Å; V1482-N1486 PolarHBondContact O-N 3.46Å; V1482-N1486 PolarHBondContact O-ND2 2.84Å
1483	K	80.4	Confident	78.5	Confident	163 Å²	163	63.5 Å²	63.5	71%	0.709	34%	0.338	S	S	*	.	H	α-helix	trans	-60.3	-45.2	175.5	-70.5	-176	179.2	179.6	0	110.4	N1480 T1481 N1486 T1487	N1480-K1483 PolarHBondContact O-N 2.64Å; T1481-K1483 PolarHBondContact O-N 2.87Å; K1483-N1486 PolarHBondContact O-N 2.85Å; K1483-T1487 WeakPolarHBondContact O-CG2 3.17Å; K1483-T1487 PolarHBondContact O-N 3.07Å; K1483-T1487 PolarHBondContact O-OG1 3.21Å
1484	W	79.4	Confident	78	Confident	66 Å²	66	67.5 Å²	67.5	25%	0.25	36%	0.359	C	S	.	.	H	α-helix	trans	-61	-45.1	178.7	-177.9	82.1	0	0	0	112.3	L1287 P1288 W1290 I1291 Y1336 N1480 T1481 V1482 N1486 T1487 S1488	L1287-W1484 HydrophobicContact CD2-CH2 4.2Å; L1287-W1484 HydrophobicContact CD2-CZ2 4.29Å; P1288-W1484 VanDerWaalsContact CD-CZ2 3.43Å; P1288-W1484 HydrophobicContact CG-CH2 3.84Å; P1288-W1484 HydrophobicContact CG-CZ2 3.94Å; P1288-W1484 HydrophobicContact CG-CZ3 4.18Å; W1290-W1484 HydrophobicContact CZ2-CE3 4.22Å; W1290-W1484 AromaticContact CZ2-CZ3 3.94Å; W1290-W1484 HydrophobicContact CZ2-CZ3 3.94Å; I1291-W1484 HydrophobicContact CG1-CH2 4.15Å; I1291-W1484 HydrophobicContact CG1-CZ3 4.18Å; Y1336-W1484 HydrophobicContact CE1-CH2 4.3Å; Y1336-W1484 AromaticContact CE1-CZ3 3.75Å; Y1336-W1484 HydrophobicContact CE1-CZ3 3.75Å; Y1336-W1484 AromaticContact CZ-CH2 3.99Å; Y1336-W1484 AromaticContact CZ-CZ3 3.64Å; Y1336-W1484 WeakPolarHBondContact OH-CH2 3.11Å; Y1336-W1484 VanDerWaalsContact OH-CZ3 3.24Å; Y1336-W1484 WeakPolarHBondContact OH-CZ3 3.23Å; N1480-W1484 WeakPolarHBondContact O-CB 3.19Å; N1480-W1484 PolarHBondContact O-N 2.76Å; T1481-W1484 PolarHBondContact O-N 2.75Å; V1482-W1484 VanDerWaalsContact C-N 3.31Å; V1482-W1484 PolarHBondContact O-N 3.08Å; W1484-N1486 PolarHBondContact O-N 2.97Å; W1484-T1487 WeakPolarHBondContact CA-OG1 3.42Å; W1484-T1487 PolarHBondContact O-N 2.87Å; W1484-T1487 PolarHBondContact O-OG1 2.68Å; W1484-S1488 WeakPolarHBondContact O-CB 3.14Å; W1484-S1488 PolarHBondContact O-N 3.02Å; W1484-S1488 PolarHBondContact O-OG 3.27Å
1485	I	78.6	Confident	77.1	Confident	5 Å²	5	67.8 Å²	67.8	3%	0.026	37%	0.367	C	S	.	.	H	α-helix	trans	-58.6	-47.8	174.6	-70.8	169.6	0	0	0	110.4	L1333 Y1336 T1481 V1482 T1487 S1488 E1489	L1333-I1485 HydrophobicContact CD1-CD1 3.7Å; Y1336-I1485 HydrophobicContact CD1-CD1 4.31Å; Y1336-I1485 HydrophobicContact CD1-CG1 4.11Å; Y1336-I1485 HydrophobicContact CD2-CB 4.42Å; Y1336-I1485 HydrophobicContact CD2-CG1 4.25Å; Y1336-I1485 HydrophobicContact CD2-CG2 3.7Å; Y1336-I1485 HydrophobicContact CE1-CG1 4.44Å; Y1336-I1485 HydrophobicContact CE2-CG2 4.41Å; Y1336-I1485 HydrophobicContact CG-CD1 4.26Å; Y1336-I1485 HydrophobicContact CG-CG1 4.01Å; Y1336-I1485 HydrophobicContact CG-CG2 3.93Å; T1481-I1485 HydrophobicContact CG2-CD1 3.9Å; T1481-I1485 HydrophobicContact CG2-CG1 4.39Å; T1481-I1485 WeakPolarHBondContact O-CG1 3.38Å; T1481-I1485 PolarHBondContact O-N 3.42Å; V1482-I1485 PolarHBondContact O-N 2.72Å; I1485-T1487 VanDerWaalsContact C-N 3.26Å; I1485-T1487 PolarHBondContact O-N 3.14Å; I1485-S1488 PolarHBondContact O-N 3.4Å; I1485-S1488 PolarHBondContact O-OG 3.24Å; I1485-E1489 PolarHBondContact O-N 2.8Å
1486	N	75.8	Confident	76.1	Confident	92 Å²	92	70.5 Å²	70.5	49%	0.492	38%	0.383	S	S	.	.	H	α-helix	trans	-66	-24.5	179.5	-71.3	-18	0	0	0	114.1	Q1332 V1482 K1483 W1484	Q1332-N1486 PolarHBondContact NE2-OD1 2.85Å; V1482-N1486 PolarHBondContact O-N 3.46Å; V1482-N1486 PolarHBondContact O-ND2 2.84Å; K1483-N1486 PolarHBondContact O-N 2.85Å; W1484-N1486 PolarHBondContact O-N 2.97Å
1487	T	69.7	Low	75.2	Confident	111 Å²	111	71.7 Å²	71.7	68%	0.681	39%	0.386	S	S	*	.	H	α-helix	trans	-96.2	-11.2	178.6	54.1	0	0	0	0	114.2	K1483 W1484 I1485	K1483-T1487 WeakPolarHBondContact O-CG2 3.17Å; K1483-T1487 PolarHBondContact O-N 3.07Å; K1483-T1487 PolarHBondContact O-OG1 3.21Å; W1484-T1487 WeakPolarHBondContact CA-OG1 3.42Å; W1484-T1487 PolarHBondContact O-N 2.87Å; W1484-T1487 PolarHBondContact O-OG1 2.68Å; I1485-T1487 VanDerWaalsContact C-N 3.26Å; I1485-T1487 PolarHBondContact O-N 3.14Å
1488	S	55.4	Low	74.1	Confident	52 Å²	52	77.7 Å²	77.7	36%	0.364	42%	0.418	S	S	.	.	H	α-helix	trans	-103.7	-8	-174.4	58.6	0	0	0	0	114.2	W1484 I1485	W1484-S1488 WeakPolarHBondContact O-CB 3.14Å; W1484-S1488 PolarHBondContact O-N 3.02Å; W1484-S1488 PolarHBondContact O-OG 3.27Å; I1485-S1488 PolarHBondContact O-N 3.4Å; I1485-S1488 PolarHBondContact O-OG 3.24Å
1489	E	41.5	Very low	73.1	Confident	165 Å²	165	79.5 Å²	79.5	77%	0.771	42%	0.423	S	S	*	.			trans	-74.2	0	158	-68.6	-166.9	159.8	0	0	110	K1339 I1485	K1339-E1489 IonicContact NZ-OE1 3.43Å; K1339-E1489 PolarHBondContact NZ-OE1 3.31Å; K1339-E1489 IonicContact NZ-OE2 3.3Å; I1485-E1489 PolarHBondContact O-N 2.8Å

Retrieved 1,489 of 1,489 residues in 1514.1 ms (Link to these results)

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