A0A077ZAG4_TRITR Loading...

Solute carrier family 12

AlphaFold DB , UniProt , Accession A0A077ZAG4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,121 aa.

						>A0A077ZAG4_TRITR|A0A077ZAG4
MAEGHNKPQVEIVVDGASEITEVSPTANGASASAEVSPKIDGTPAAGNEMPEGTVRQKQLQFTIDPTINQTSESGGASVTDLPVTDLEKEPQFDHYRNALSIKREVIPRRPSLKQLHGVEWDQEKELTPLPPQKATVGSEKKKLGWIEGVLIRCVLNIIGVMLYLRISWVAAQAGLLLGSLVLLLSSAIVFLTALSMSAICTNGKIRGGGTYFIISRSLGPDFGGSIGIIFAVANAVSAAVYLAGFADTVLEVMKSHNTYIVDGGVNDIRIIGWITAIFLLAVVCAGLNFESKAQIALLVVLVISLLNYFIGLCMSPTTLQRAQGITGFNGTTLTENSLPDWRGETFASVLAVYFPAATGFLAGANISGDLKEPERAIPKGTIIGVTITSILYLAVLWFTGTTCLRDASGLVEDLNNGMLSACAVNQTCVYGLHNYYHILELEGAWAPLITAGVFSSTLSSALASTVSAPKVLQAVARDRIFPYIGFFAKGSKKSDEPVRGYLLTFAITVGIIAIGDINQIAPLISNFFMASYALINYACFDASFAKSPGFRPAFKFYNMWLSLLGAFTCTVMMFFISWVNALVTVIFIMLLYVYLARRKPDVNWGDSTQANSFRNAVHNMLKLQMTQDHVKTYRPMILLLTGNPCKRKDMVNFVSNITRSQGMLICGQVLQAPLDDNTLHARYQFSRKIIWWLKKRHIRAFYYSYLASSLQEGVLALLQLCGMGKLSPNIMIMGFKHDWETSDYAAVKEYFLIIHSGFDFNKGVGILRLSNIAKAPVEKEPRPFTETCNSEPQQLNTLHLSADMRTSRRSTLSTSQSVESFSIFAQRLWPTESELRKTAGRITESSFERQQGVPTEKQGGTDGSRNRPRHTTSSSSSLSETSAKSQFEIEILDNEEKKKNGILSISKLRRKLEAEKVNNNVRVENFQKRIKKAIIDVWWLYDDGGLSVLIPHLLSQEGYLESAKLRIFTIVKRSEGFDEEQSKLIILLNQLRIKFSKVSVFAEDRIQENQETLRLFHELISKFKVPNKTIGQIEEPAASVLVDDAELTTFRSTTERIMKARNLILTHSKNANLIIVTIPVPRKKALSASLYLAWLELLSRDLPLTFLLRGNQEPVLTFYS
					

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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	31.8	Very low	34.3	Very low	254 Å²	254	160.6 Å²	160.6	100%	1.251	86%	0.864	S	S	*	*				0	129.2	0	-72.1	-175.7	-172.5	0	0	107.4
2	A	30.2	Very low	33.9	Very low	90 Å²	90	158.6 Å²	158.6	74%	0.744	85%	0.85	S	S	*	*			trans	-104.8	168.9	-135.5	0	0	0	0	0	114.9
3	E	35.4	Very low	33.8	Very low	197 Å²	197	155.3 Å²	155.3	92%	0.921	84%	0.839	S	S	*	*			trans	87.6	126.8	151	-77	169.8	-171.6	0	0	120.6
4	G	38.9	Very low	33.4	Very low	76 Å²	76	152.6 Å²	152.6	78%	0.784	83%	0.83	S	S	*	*			trans	149.7	30.7	162.2	0	0	0	0	0	117.7	N6	G4-N6 PolarHBondContact O-N 3.1Å
5	H	36.2	Very low	33.5	Very low	192 Å²	192	152.9 Å²	152.9	89%	0.889	83%	0.83	S	S	*	*			trans	-66.9	115.5	171.2	-100.6	-52.6	0	0	0	111.2
6	N	40.2	Very low	33.4	Very low	163 Å²	163	147.1 Å²	147.1	87%	0.872	82%	0.817	S	S	*	*			trans	-116.3	105.8	159.1	-105.6	-16	0	0	0	109.1	G4	G4-N6 PolarHBondContact O-N 3.1Å
7	K	31.7	Very low	33.1	Very low	189 Å²	189	144.4 Å²	144.4	82%	0.822	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-67.8	138	166.5	-76.9	175.1	173	176.5	0	109.4
8	P	38.9	Very low	33.1	Very low	116 Å²	116	142.8 Å²	142.8	75%	0.753	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-89.5	118.3	146.6	30.7	-20.4	0	0	0	108	V10	P8-V10 PolarHBondContact O-N 3Å
9	Q	30.9	Very low	32.9	Very low	187 Å²	187	143.9 Å²	143.9	87%	0.874	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-60.2	120.5	164.5	-77.1	-174.3	-22	0	0	108.5	E11	Q9-E11 PolarHBondContact O-N 3.25Å
10	V	34	Very low	32.8	Very low	127 Å²	127	143.4 Å²	143.4	77%	0.77	81%	0.808	S	S	*	*			trans	-81.3	100.4	164.4	175.8	0	0	0	0	105.7	P8 I12	P8-V10 PolarHBondContact O-N 3Å; V10-I12 HydrophobicContact CG1-CG1 4.44Å; V10-I12 PolarHBondContact O-N 3.19Å
11	E	28.8	Very low	32.6	Very low	176 Å²	176	142.6 Å²	142.6	82%	0.822	81%	0.807	S	S	*	*			trans	-75.6	110.8	167.8	-160.8	170.8	-159.9	0	0	107.6	Q9 V13	Q9-E11 PolarHBondContact O-N 3.25Å; E11-V13 PolarHBondContact O-N 2.78Å
12	I	30.1	Very low	32.4	Very low	136 Å²	136	139.6 Å²	139.6	70%	0.697	79%	0.79	S	S	*	*			trans	-75.5	104.8	174.1	-65.7	168.4	0	0	0	106.2	V10 V14	V10-I12 HydrophobicContact CG1-CG1 4.44Å; V10-I12 PolarHBondContact O-N 3.19Å; I12-V14 HydrophobicContact CG2-CG2 3.76Å; I12-V14 PolarHBondContact O-N 2.88Å
13	V	32.1	Very low	32.4	Very low	116 Å²	116	141.6 Å²	141.6	70%	0.703	79%	0.793	S	S	*	*			trans	-85.7	95.8	161.3	-178.7	0	0	0	0	107	E11 D15	E11-V13 PolarHBondContact O-N 2.78Å; V13-D15 PolarHBondContact O-N 2.69Å
14	V	28.8	Very low	32	Very low	118 Å²	118	136.8 Å²	136.8	72%	0.715	78%	0.781	S	S	*	*			trans	-73.3	107.4	154.5	167.6	0	0	0	0	105.3	I12	I12-V14 HydrophobicContact CG2-CG2 3.76Å; I12-V14 PolarHBondContact O-N 2.88Å
15	D	34.3	Very low	32	Very low	156 Å²	156	139 Å²	139	83%	0.834	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-101.8	119.3	154.6	-106.1	-24.4	0	0	0	107.9	V13	V13-D15 PolarHBondContact O-N 2.69Å
16	G	31.9	Very low	31.8	Very low	60 Å²	60	135.8 Å²	135.8	62%	0.619	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-74.9	166.4	-172	0	0	0	0	0	113.7
17	A	29.2	Very low	31.4	Very low	102 Å²	102	131.7 Å²	131.7	84%	0.843	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-59.5	140.5	175.9	0	0	0	0	0	113.5
18	S	32	Very low	31.5	Very low	115 Å²	115	130.6 Å²	130.6	80%	0.804	77%	0.767	S	S	*	*			trans	-150.4	93.1	142.3	42.5	0	0	0	0	105
19	E	30.6	Very low	31.1	Very low	164 Å²	164	128.6 Å²	128.6	77%	0.766	77%	0.768	S	S	*	*				51.1	110	96.7	-85.8	-168.5	145.8	0	0	115.6
20	I	30	Very low	31.1	Very low	133 Å²	133	124.4 Å²	124.4	68%	0.682	77%	0.765	S	S	*	*				59.4	107.8	127.9	-51.8	163.2	0	0	0	116.7
21	T	29.5	Very low	31	Very low	128 Å²	128	123.6 Å²	123.6	79%	0.785	77%	0.765	S	S	*	*				-163.9	107.5	121.7	8.8	0	0	0	0	110.8
22	E	26.4	Very low	31.2	Very low	191 Å²	191	119.5 Å²	119.5	89%	0.893	76%	0.762	S	S	*	*			trans	-57.9	131.3	152.9	-72	175.9	140.1	0	0	108.8
23	V	31.6	Very low	31.3	Very low	132 Å²	132	118.5 Å²	118.5	80%	0.8	77%	0.767	S	S	*	*			trans	-135.9	104.8	158	-178.7	0	0	0	0	107.9
24	S	26.7	Very low	31.4	Very low	96 Å²	96	117.1 Å²	117.1	67%	0.671	77%	0.767	S	S	*	*			trans	-67.1	165.6	161.7	-64.4	0	0	0	0	110.1
25	P	38	Very low	31.5	Very low	123 Å²	123	120.1 Å²	120.1	80%	0.799	77%	0.773	S	S	*	*				-124.5	112.3	120.1	30.4	-21.3	0	0	0	111.1
26	T	32.9	Very low	31.5	Very low	123 Å²	123	118.4 Å²	118.4	76%	0.755	77%	0.768	S	S	*	*			trans	-26.4	125.2	137.4	45.8	0	0	0	0	112.1
27	A	31.4	Very low	31.5	Very low	78 Å²	78	121 Å²	121	65%	0.645	78%	0.777	S	S	*	*				100.7	144.2	77.1	0	0	0	0	0	112
28	N	32.6	Very low	31.9	Very low	165 Å²	165	121.7 Å²	121.7	88%	0.882	77%	0.773	S	S	*	*			trans	83.9	118.9	175.3	-47.6	-18.6	0	0	0	113.4
29	G	30.3	Very low	31.9	Very low	74 Å²	74	125.3 Å²	125.3	76%	0.763	77%	0.774	S	S	*	*			cis	128.9	122.2	18.5	0	0	0	0	0	108.5
30	A	32.2	Very low	32.1	Very low	99 Å²	99	124 Å²	124	82%	0.818	77%	0.772	S	S	*	*			trans	83.7	122	157.1	0	0	0	0	0	121.5
31	S	31.9	Very low	32.2	Very low	111 Å²	111	125.4 Å²	125.4	78%	0.776	78%	0.78	S	S	*	*			trans	72.7	105	138	73.1	0	0	0	0	121.7
32	A	32.6	Very low	32.5	Very low	90 Å²	90	123 Å²	123	74%	0.744	78%	0.781	S	S	*	*				72.4	126.9	114	0	0	0	0	0	120.8
33	S	32	Very low	32.9	Very low	115 Å²	115	120.8 Å²	120.8	80%	0.804	78%	0.781	S	S	*	*			trans	91.3	109.6	142.4	-55.6	0	0	0	0	119.2
34	A	33.8	Very low	33.3	Very low	87 Å²	87	120.2 Å²	120.2	72%	0.719	78%	0.78	S	S	*	*				66.7	124.6	127.6	0	0	0	0	0	120.8
35	E	31	Very low	33.7	Very low	180 Å²	180	120.3 Å²	120.3	84%	0.841	79%	0.786	S	S	*	*			trans	85.8	116.3	136.1	-78.1	-176.2	160	0	0	121.5
36	V	34.5	Very low	33.4	Very low	120 Å²	120	119.6 Å²	119.6	73%	0.727	79%	0.791	S	S	*	*				89.3	100.1	129	-179.3	0	0	0	0	119.1
37	S	32.4	Very low	33.5	Very low	115 Å²	115	117 Å²	117	80%	0.804	79%	0.789	S	S	*	*				68.8	152.4	128.1	-63.8	0	0	0	0	123.7
38	P	36.7	Very low	33.6	Very low	117 Å²	117	120.1 Å²	120.1	76%	0.76	80%	0.795	S	S	*	*			trans	-117.3	164.5	-153.7	39.3	-24.3	0	0	0	115.5
39	K	32.8	Very low	33.6	Very low	190 Å²	190	120.5 Å²	120.5	83%	0.826	79%	0.791	S	S	*	*			trans	-176.1	116.6	154.4	-104.8	171.5	-179.1	-176.3	0	108.8
40	I	34.6	Very low	33.7	Very low	138 Å²	138	125 Å²	125	71%	0.708	79%	0.794	S	S	*	*				83.5	130.8	85	-71.2	179.7	0	0	0	113.9
41	D	33.2	Very low	33.9	Very low	161 Å²	161	125.2 Å²	125.2	86%	0.861	79%	0.787	S	S	*	*			trans	96.7	128.8	158.1	-66.8	-24.9	0	0	0	122.7
42	G	35	Very low	33.8	Very low	79 Å²	79	128.9 Å²	128.9	81%	0.814	79%	0.792	S	S	*	*			trans	133.7	91.9	142.4	0	0	0	0	0	118.7
43	T	33.7	Very low	33.9	Very low	143 Å²	143	128.5 Å²	128.5	88%	0.877	80%	0.797	S	S	*	*			trans	-89.5	-163.5	168.9	40.5	0	0	0	0	112.2
44	P	41.2	Very low	33.9	Very low	121 Å²	121	128.4 Å²	128.4	79%	0.786	79%	0.792	S	S	*	*				-130.8	178.8	-92.3	40.3	-20.4	0	0	0	114.7
45	A	34.2	Very low	33.9	Very low	97 Å²	97	131.5 Å²	131.5	80%	0.802	80%	0.801	S	S	*	*			trans	176.6	122.7	155.9	0	0	0	0	0	109.1
46	A	33.3	Very low	33.8	Very low	109 Å²	109	133.2 Å²	133.2	90%	0.901	80%	0.8	S	S	*	*				104.1	127	65.2	0	0	0	0	0	112.3
47	G	34	Very low	33.7	Very low	68 Å²	68	136.7 Å²	136.7	70%	0.701	81%	0.808	S	S	*	*			trans	141.3	97.3	158	0	0	0	0	0	118.5
48	N	33.8	Very low	33.5	Very low	144 Å²	144	140.2 Å²	140.2	77%	0.77	81%	0.809	S	S	*	*			trans	47.7	144.3	132.4	-63.1	15	0	0	0	120.8
49	E	33.2	Very low	33.1	Very low	172 Å²	172	143 Å²	143	80%	0.804	81%	0.812	S	S	*	*			cis	-169.6	164.7	11.8	-114.9	162.6	-152.9	0	0	110.9
50	M	30.8	Very low	32.9	Very low	169 Å²	169	140.7 Å²	140.7	83%	0.833	81%	0.808	S	S	*	*			trans	-60.4	-170.2	-174.7	-110.6	-178.7	-80.8	0	0	118.4
51	P	36.8	Very low	32.5	Very low	103 Å²	103	141.9 Å²	141.9	67%	0.669	81%	0.81	S	S	*	*			cis	-143.6	169.6	-1.1	22	5.7	0	0	0	120.2
52	E	31.2	Very low	32.3	Very low	189 Å²	189	142.2 Å²	142.2	88%	0.883	81%	0.805	S	S	*	*			trans	75.5	122.1	138	-76.4	179.8	-175.3	0	0	125.8
53	G	34	Very low	31.9	Very low	82 Å²	82	144.2 Å²	144.2	85%	0.845	80%	0.801	S	S	*	*			trans	179.2	96	163	0	0	0	0	0	112.8
54	T	31.5	Very low	31.9	Very low	113 Å²	113	144.8 Å²	144.8	69%	0.693	80%	0.797	S	S	*	*			trans	-90.6	132.9	-161.6	-59.8	0	0	0	0	115.6	R56	T54-R56 HydrophobicContact CG2-CG 4.14Å
55	V	33.4	Very low	31.4	Very low	151 Å²	151	145.2 Å²	145.2	92%	0.915	79%	0.793	S	S	*	*			trans	-134.7	120.5	152.1	179.5	0	0	0	0	109.9
56	R	30.3	Very low	31.2	Very low	217 Å²	217	146.5 Å²	146.5	82%	0.819	79%	0.793	S	S	*	*			trans	-79.6	118.8	-168.7	-73.4	172.7	167.8	168.8	-3.2	113.6	T54	T54-R56 HydrophobicContact CG2-CG 4.14Å
57	Q	30.7	Very low	31.1	Very low	192 Å²	192	146.7 Å²	146.7	90%	0.897	78%	0.783	S	S	*	*			trans	-103.5	115.5	148.5	-87.6	-175.7	-14.5	0	0	108.8	Q59	Q57-Q59 PolarHBondContact O-N 2.77Å; Q57-Q59 VanDerWaalsContact O-N 3.17Å
58	K	28.4	Very low	31	Very low	190 Å²	190	151 Å²	151	83%	0.826	79%	0.788	S	S	*	*			trans	-78.8	92	173.3	-86.6	-179.2	172	178.7	0	109.8
59	Q	28.9	Very low	30.7	Very low	174 Å²	174	152.2 Å²	152.2	81%	0.813	80%	0.795	S	S	*	*			trans	-87.4	118.2	148	-87.2	-176	-29.4	0	0	107.8	Q57 Q61	Q57-Q59 PolarHBondContact O-N 2.77Å; Q57-Q59 VanDerWaalsContact O-N 3.17Å; Q59-Q61 PolarHBondContact O-N 3.41Å
60	L	28.7	Very low	30.4	Very low	142 Å²	142	152.7 Å²	152.7	74%	0.743	80%	0.797	S	S	*	*			trans	-81.1	94.4	172.1	-107.7	131.6	0	0	0	108	F62	L60-F62 HydrophobicContact CD2-CD2 4.27Å; L60-F62 HydrophobicContact CD2-CE2 3.67Å; L60-F62 HydrophobicContact CD2-CZ 4.09Å
61	Q	26	Very low	30.1	Very low	163 Å²	163	151.1 Å²	151.1	76%	0.762	80%	0.797	S	S	*	*			trans	-96.4	112.1	167.4	-155.3	157	1.4	0	0	106.8	Q59 T63	Q59-Q61 PolarHBondContact O-N 3.41Å; Q61-T63 PolarHBondContact O-N 3Å
62	F	29.5	Very low	29.8	Very low	169 Å²	169	152 Å²	152	74%	0.741	81%	0.806	S	S	*	*			trans	-79.9	100.1	172	-87.4	-86.2	0	0	0	108.3	L60	L60-F62 HydrophobicContact CD2-CD2 4.27Å; L60-F62 HydrophobicContact CD2-CE2 3.67Å; L60-F62 HydrophobicContact CD2-CZ 4.09Å
63	T	25.6	Very low	29.5	Very low	120 Å²	120	152.4 Å²	152.4	74%	0.736	81%	0.807	S	S	*	*			trans	-77.7	126.7	161.9	-43.2	0	0	0	0	107.7	Q61	Q61-T63 PolarHBondContact O-N 3Å
64	I	35.3	Very low	29.1	Very low	156 Å²	156	154.1 Å²	154.1	80%	0.8	81%	0.807	S	S	*	*			trans	-104.1	119.2	168.6	-61.8	176	0	0	0	106.5
65	D	30.2	Very low	28.8	Very low	130 Å²	130	153 Å²	153	70%	0.695	82%	0.818	S	S	*	*			trans	-59.9	138.6	177.5	-81	-40.5	0	0	0	112.6	T67	D65-T67 PolarHBondContact O-N 3.38Å
66	P	29.7	Very low	28.5	Very low	123 Å²	123	149.4 Å²	149.4	80%	0.799	81%	0.811	S	S	*	*	S	Bend	trans	-96.3	57.5	176.4	39.1	-32.1	0	0	0	110.9
67	T	30.8	Very low	28.3	Very low	114 Å²	114	143.7 Å²	143.7	70%	0.699	81%	0.81	S	S	*	*			trans	-148.4	49.3	178.6	53.2	0	0	0	0	113.4	D65	D65-T67 PolarHBondContact O-N 3.38Å
68	I	32.1	Very low	28.1	Very low	158 Å²	158	137.8 Å²	137.8	81%	0.81	79%	0.79	S	S	*	*			trans	-147.5	75.8	165.1	-50.9	177.4	0	0	0	108
69	N	27.8	Very low	28.4	Very low	170 Å²	170	134.8 Å²	134.8	91%	0.909	79%	0.788	S	S	*	*			trans	-151.5	62.5	170.7	-102.2	-7.4	0	0	0	110.2
70	Q	26.5	Very low	28.8	Very low	181 Å²	181	131.8 Å²	131.8	85%	0.846	78%	0.781	S	S	*	*			trans	-143.1	139	156.6	-70.9	-171.3	-7.7	0	0	107.3
71	T	25.8	Very low	29.1	Very low	137 Å²	137	131 Å²	131	84%	0.84	78%	0.778	S	S	*	*	S	Bend	trans	84.2	86.4	-179.2	72.1	0	0	0	0	117.1
72	S	29.6	Very low	29.6	Very low	121 Å²	121	128.3 Å²	128.3	85%	0.846	77%	0.768	S	S	*	*				171.5	91.4	124.7	35.8	0	0	0	0	109.8	S74	S72-S74 PolarHBondContact O-N 3.05Å
73	E	24.2	Very low	30.3	Very low	197 Å²	197	123.8 Å²	123.8	92%	0.921	76%	0.756	S	S	*	*			trans	-71.8	111.4	166.9	-67.6	175.3	149.5	0	0	108.8
74	S	25.5	Very low	31.5	Very low	119 Å²	119	120 Å²	120	83%	0.832	73%	0.732	S	S	*	*			trans	175.4	113.4	145.8	37.8	0	0	0	0	111.7	S72	S72-S74 PolarHBondContact O-N 3.05Å
75	G	26.1	Very low	32.2	Very low	89 Å²	89	114.6 Å²	114.6	92%	0.918	71%	0.707	S	S	*	*			trans	73.7	90.6	153.6	0	0	0	0	0	118.2
76	G	26.9	Very low	33.5	Very low	76 Å²	76	111.8 Å²	111.8	78%	0.784	69%	0.692	S	S	*	*			trans	-153.7	102	167	0	0	0	0	0	111.7
77	A	26	Very low	35	Very low	97 Å²	97	108.3 Å²	108.3	80%	0.802	67%	0.666	S	S	*	*			trans	-62.5	132.8	174	0	0	0	0	0	110.7
78	S	26.6	Very low	36.9	Very low	68 Å²	68	104.6 Å²	104.6	48%	0.476	64%	0.641	S	S	.	*			trans	-54.1	136.9	173.3	171.9	0	0	0	0	111.3	T80 D81	S78-T80 WeakPolarHBondContact CB-OG1 3.48Å; S78-T80 PolarHBondContact O-N 3.46Å; S78-T80 WeakPolarHBondContact OG-CG2 3.48Å; S78-T80 PolarHBondContact OG-N 3.06Å; S78-T80 PolarHBondContact OG-OG1 3.16Å; S78-D81 PolarHBondContact O-N 3.12Å
79	V	35	Very low	38.7	Very low	127 Å²	127	101 Å²	101	77%	0.77	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-61.8	-3.4	178	175.5	0	0	0	0	112.9	D81	V79-D81 VanDerWaalsContact C-N 3.33Å; V79-D81 PolarHBondContact O-N 3.44Å
80	T	37.1	Very low	41	Very low	111 Å²	111	94.5 Å²	94.5	68%	0.681	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-74.9	-14.5	176.4	55.1	0	0	0	0	114.7	S78	S78-T80 WeakPolarHBondContact CB-OG1 3.48Å; S78-T80 PolarHBondContact O-N 3.46Å; S78-T80 WeakPolarHBondContact OG-CG2 3.48Å; S78-T80 PolarHBondContact OG-N 3.06Å; S78-T80 PolarHBondContact OG-OG1 3.16Å
81	D	35.4	Very low	43.3	Very low	125 Å²	125	86.5 Å²	86.5	67%	0.668	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-109.4	12	-166.2	-62.1	-8.8	0	0	0	114.7	S78 V79	S78-D81 PolarHBondContact O-N 3.12Å; V79-D81 VanDerWaalsContact C-N 3.33Å; V79-D81 PolarHBondContact O-N 3.44Å
82	L	35.7	Very low	45.6	Very low	106 Å²	106	83 Å²	83	56%	0.555	52%	0.521	S	S	*	.	S	Bend	trans	-83.9	131.2	178.8	-82.3	156.8	0	0	0	112.4
83	P	44.5	Very low	47.7	Very low	74 Å²	74	79.5 Å²	79.5	48%	0.481	49%	0.491	S	S	.	.			trans	-55.2	143.1	178.8	-15.6	22	0	0	0	112.8	T85 D86	P83-T85 PolarHBondContact O-N 3.02Å; P83-D86 PolarHBondContact O-N 3.36Å
84	V	50.5	Low	49.9	Very low	41 Å²	41	73.5 Å²	73.5	25%	0.248	47%	0.465	C	S	.	.	G	3₁₀ helix	trans	-49.1	-30	-173.6	175.9	0	0	0	0	114.1	T1050 F1051 R1083	V84-T1050 HydrophobicContact CG2-CG2 4.33Å; V84-F1051 HydrophobicContact CG1-CD1 3.99Å; V84-F1051 HydrophobicContact CG1-CE1 3.61Å; V84-F1051 HydrophobicContact CG1-CZ 4.47Å; V84-R1083 PolarHBondContact O-NH2 2.71Å; V84-R1083 VanDerWaalsContact O-NH2 3.15Å
85	T	50.7	Low	52.2	Low	42 Å²	42	69 Å²	69	26%	0.258	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-79.2	-14.9	-177.8	46.8	0	0	0	0	116.3	P83 K973 S1053	P83-T85 PolarHBondContact O-N 3.02Å; T85-K973 PolarHBondContact O-NZ 3.35Å; T85-S1053 WeakPolarHBondContact CG2-OG 2.78Å
86	D	57.2	Low	54.5	Low	72 Å²	72	64.8 Å²	64.8	39%	0.385	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-95.6	-5	-172.7	-67.2	-25.8	0	0	0	113.1	P83 K973	P83-D86 PolarHBondContact O-N 3.36Å; D86-K973 IonicContact OD1-NZ 3.09Å; D86-K973 PolarHBondContact OD1-NZ 3.04Å
87	L	61.8	Low	56.4	Low	49 Å²	49	66.1 Å²	66.1	26%	0.257	37%	0.369	S	S	.	.	S	Bend	trans	-85.1	-36.4	179.2	-138.1	74.2	0	0	0	113.2	K89 L116	L87-K89 PolarHBondContact O-N 2.93Å; L87-L116 HydrophobicContact CB-CD2 4.3Å; L87-L116 HydrophobicContact CD2-CD2 4.02Å; L87-L116 HydrophobicContact CG-CD2 4.13Å
88	E	69.4	Low	57.8	Low	36 Å²	36	63.6 Å²	63.6	17%	0.168	34%	0.342	C	S	.	.	S	Bend	trans	-84.5	112.9	174.5	-68	-160.2	128.2	0	0	110.2	L116 Y942 V1081 R1110	E88-L116 HydrophobicContact CG-CD2 4.19Å; E88-Y942 HydrophobicContact CB-CD1 3.91Å; E88-Y942 HydrophobicContact CB-CE1 4.11Å; E88-V1081 PolarHBondContact OE1-N 3.47Å; E88-R1110 IonicContact OE1-CZ 2.88Å; E88-R1110 IonicContact OE1-NH2 2.75Å; E88-R1110 PolarHBondContact OE1-NH2 3.1Å
89	K	71.6	Confident	58.9	Low	82 Å²	82	62.1 Å²	62.1	36%	0.357	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-101.9	152.3	-179.3	-65.7	-175	177.8	-179.1	0	112.3	L87 D943	L87-K89 PolarHBondContact O-N 2.93Å; K89-D943 PolarHBondContact O-N 2.76Å
90	E	75.4	Confident	59.4	Low	34 Å²	34	62.4 Å²	62.4	16%	0.159	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-61.7	159.7	167.4	-3.6	-91.4	-160.5	0	0	110.9	Q92 V972 K973 R1057	E90-Q92 PolarHBondContact O-N 3.2Å; E90-V972 WeakPolarHBondContact OE1-CA 3.43Å; E90-K973 PolarHBondContact OE1-N 2.91Å; E90-R1057 IonicContact OE1-NH1 3.41Å; E90-R1057 IonicContact OE2-CZ 2.82Å; E90-R1057 IonicContact OE2-NH1 3.18Å; E90-R1057 PolarHBondContact OE2-NH1 3.36Å; E90-R1057 IonicContact OE2-NH2 3.63Å; E90-R1057 PolarHBondContact OE2-NH2 2.87Å
91	P	74.5	Confident	59.7	Low	13 Å²	13	62.5 Å²	62.5	8%	0.084	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-63.7	117.7	174.1	26.9	-34.2	0	0	0	112	W940	P91-W940 HydrophobicContact CB-CD2 3.69Å; P91-W940 HydrophobicContact CB-CE3 3.83Å; P91-W940 HydrophobicContact CB-CG 4.39Å; P91-W940 HydrophobicContact CB-CH2 3.8Å; P91-W940 HydrophobicContact CB-CZ2 3.68Å; P91-W940 HydrophobicContact CB-CZ3 3.88Å; P91-W940 HydrophobicContact CG-CD2 3.68Å; P91-W940 HydrophobicContact CG-CE3 3.82Å; P91-W940 HydrophobicContact CG-CG 4.01Å; P91-W940 HydrophobicContact CG-CZ3 4.31Å
92	Q	73.4	Confident	59.9	Low	65 Å²	65	61.9 Å²	61.9	30%	0.304	33%	0.331	S	S	.	.			trans	-106	142.3	178.8	-65.4	-170.2	-30.4	0	0	111.9	E90 D94 H95 Y96	E90-Q92 PolarHBondContact O-N 3.2Å; Q92-D94 VanDerWaalsContact C-N 3.31Å; Q92-D94 PolarHBondContact O-N 3.04Å; Q92-H95 PolarHBondContact O-N 3.46Å; Q92-Y96 WeakPolarHBondContact O-CD2 3.14Å
93	F	74.6	Confident	59.9	Low	46 Å²	46	65 Å²	65	20%	0.202	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-51.9	-46.2	179.2	179.3	-91.9	0	0	0	112.9	H95 Y96 I987 L988 Q991 F1119	F93-H95 VanDerWaalsContact C-N 3.28Å; F93-H95 PolarHBondContact O-N 3.04Å; F93-Y96 PolarHBondContact O-N 2.88Å; F93-I987 HydrophobicContact CE2-CG2 3.93Å; F93-L988 HydrophobicContact CD2-CB 3.96Å; F93-L988 HydrophobicContact CD2-CD1 4.33Å; F93-L988 HydrophobicContact CE2-CB 4.43Å; F93-Q991 VanDerWaalsContact CE2-OE1 3.22Å; F93-Q991 VanDerWaalsContact CZ-OE1 3.25Å; F93-F1119 HydrophobicContact CD1-CZ 4.48Å; F93-F1119 HydrophobicContact CE1-CE2 4.42Å; F93-F1119 AromaticContact CE1-CZ 3.76Å; F93-F1119 HydrophobicContact CE1-CZ 3.76Å; F93-F1119 HydrophobicContact CE2-CE1 4.28Å; F93-F1119 AromaticContact CE2-CZ 3.82Å; F93-F1119 HydrophobicContact CE2-CZ 3.82Å; F93-F1119 HydrophobicContact CZ-CE1 4.26Å; F93-F1119 AromaticContact CZ-CE2 3.92Å; F93-F1119 HydrophobicContact CZ-CE2 3.92Å; F93-F1119 AromaticContact CZ-CZ 3.37Å; F93-F1119 HydrophobicContact CZ-CZ 3.37Å
94	D	70	Confident	59.8	Low	71 Å²	71	71.6 Å²	71.6	38%	0.38	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-66.7	-25.1	-173.7	-66.6	-42	0	0	0	113.8	Q92 Y96 R97 I107	Q92-D94 VanDerWaalsContact C-N 3.31Å; Q92-D94 PolarHBondContact O-N 3.04Å; D94-Y96 PolarHBondContact O-N 3.04Å; D94-Y96 VanDerWaalsContact O-N 3.15Å; D94-R97 PolarHBondContact O-N 2.9Å; D94-I107 HydrophobicContact CB-CG2 4.22Å
95	H	73.2	Confident	59.3	Low	24 Å²	24	77.9 Å²	77.9	11%	0.111	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-66.6	-14.9	177.6	-62.7	164.6	0	0	0	113.5	Q92 F93 D943	Q92-H95 PolarHBondContact O-N 3.46Å; F93-H95 VanDerWaalsContact C-N 3.28Å; F93-H95 PolarHBondContact O-N 3.04Å; H95-D943 IonicContact CE1-OD2 2.87Å; H95-D943 IonicContact CG-OD2 2.95Å; H95-D943 IonicContact ND1-OD2 2.73Å; H95-D943 PolarHBondContact ND1-OD2 3.22Å
96	Y	74.3	Confident	58.9	Low	1 Å²	1	81.7 Å²	81.7	0%	0.004	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-108.2	-5.3	-177.7	-66.3	-85	0	0	0	113.4	Q92 F93 D94 R110 W940 D943 G945 G946 L988 L1117 T1118 F1119	Q92-Y96 WeakPolarHBondContact O-CD2 3.14Å; F93-Y96 PolarHBondContact O-N 2.88Å; D94-Y96 PolarHBondContact O-N 3.04Å; D94-Y96 VanDerWaalsContact O-N 3.15Å; Y96-R110 PolarHBondContact OH-NH2 3.49Å; Y96-W940 HydrophobicContact CE1-CZ2 4.48Å; Y96-W940 AromaticContact CE2-CH2 3.91Å; Y96-W940 HydrophobicContact CE2-CH2 3.91Å; Y96-W940 HydrophobicContact CE2-CZ2 4.01Å; Y96-W940 AromaticContact CZ-CH2 3.86Å; Y96-W940 AromaticContact CZ-CZ2 3.65Å; Y96-W940 VanDerWaalsContact OH-CZ2 3.27Å; Y96-W940 WeakPolarHBondContact OH-CZ2 3.41Å; Y96-D943 PolarHBondContact OH-OD1 3.01Å; Y96-G945 WeakPolarHBondContact CE1-O 3.47Å; Y96-G946 PolarHBondContact OH-N 3.31Å; Y96-L988 HydrophobicContact CD2-CD1 4.23Å; Y96-L988 HydrophobicContact CD2-CD2 3.87Å; Y96-L988 HydrophobicContact CE2-CD2 4.4Å; Y96-L988 HydrophobicContact CG-CD1 4Å; Y96-L988 HydrophobicContact CG-CD2 4.35Å; Y96-L1117 HydrophobicContact CD1-CB 4.44Å; Y96-L1117 WeakPolarHBondContact CD1-O 3.21Å; Y96-T1118 WeakPolarHBondContact O-CA 3.48Å; Y96-F1119 WeakPolarHBondContact O-CD1 3.26Å; Y96-F1119 PolarHBondContact O-N 3.38Å; Y96-F1119 VanDerWaalsContact O-N 3.17Å
97	R	67.1	Low	58.4	Low	105 Å²	105	81.7 Å²	81.7	40%	0.396	40%	0.404	S	S	.	.	B	Isolated β-bridge	trans	-83.4	116	179.2	-171.6	178.2	-178.7	-177.2	1.8	109.9	D94 A99 F1119	D94-R97 PolarHBondContact O-N 2.9Å; R97-A99 PolarHBondContact O-N 3.28Å; R97-F1119 HydrophobicContact CB-CE1 4.34Å; R97-F1119 HydrophobicContact CB-CE2 4.13Å; R97-F1119 HydrophobicContact CB-CZ 3.7Å; R97-F1119 HydrophobicContact CG-CE2 3.96Å; R97-F1119 HydrophobicContact CG-CZ 4.04Å
98	N	56.5	Low	57.9	Low	44 Å²	44	82.4 Å²	82.4	24%	0.235	41%	0.412	C	S	.	.			trans	-81.7	79.7	-179.4	-149.9	-3.8	0	0	0	110.8	L100 T1118 F1119 Y1120	N98-L100 PolarHBondContact O-N 3.32Å; N98-T1118 HydrophobicContact CB-CG2 4.39Å; N98-F1119 PolarHBondContact N-O 2.99Å; N98-F1119 VanDerWaalsContact N-O 3.1Å; N98-Y1120 PolarHBondContact ND2-OH 3.43Å
99	A	48.8	Very low	57.3	Low	37 Å²	37	90.5 Å²	90.5	31%	0.306	44%	0.441	S	S	.	.			trans	-80.5	79.6	179.2	0	0	0	0	0	111.3	R97 S101 I107	R97-A99 PolarHBondContact O-N 3.28Å; A99-S101 PolarHBondContact O-N 2.74Å; A99-I107 HydrophobicContact CB-CD1 4.17Å
100	L	46.2	Very low	57.1	Low	132 Å²	132	88.5 Å²	88.5	69%	0.691	43%	0.431	S	S	*	.	S	Bend	trans	-77.6	7.1	176.1	-91.9	154.7	0	0	0	114.1	N98 Y1120	N98-L100 PolarHBondContact O-N 3.32Å; L100-Y1120 HydrophobicContact CD1-CE1 4.04Å
101	S	42.5	Very low	56.8	Low	113 Å²	113	87.9 Å²	87.9	79%	0.79	43%	0.43	S	S	*	.	S	Bend	trans	-138.1	-1.7	-173.1	63.1	0	0	0	0	117.4	A99	A99-S101 PolarHBondContact O-N 2.74Å
102	I	39.5	Very low	56.5	Low	113 Å²	113	89.8 Å²	89.8	58%	0.579	44%	0.443	S	S	*	.	S	Bend	trans	-118.1	131.8	-179.7	-56.4	175.8	0	0	0	108.6	R104	I102-R104 PolarHBondContact O-N 3Å
103	K	37.4	Very low	56.6	Low	170 Å²	170	86.9 Å²	86.9	74%	0.739	43%	0.43	S	S	*	.			trans	-37.7	122.6	-179.7	-76	-179.4	174.1	-176	0	111	E105	K103-E105 PolarHBondContact O-N 3.36Å
104	R	40.7	Very low	56.4	Low	214 Å²	214	88.2 Å²	88.2	81%	0.808	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	2.3	-176.6	-104	177.1	-179.6	165.5	-0.7	116	I102	I102-R104 PolarHBondContact O-N 3Å
105	E	40	Very low	56.4	Low	172 Å²	172	90.9 Å²	90.9	80%	0.804	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-14	-170.6	-72.2	174.7	161.9	0	0	114.3	K103	K103-E105 PolarHBondContact O-N 3.36Å
106	V	42.5	Very low	56.2	Low	122 Å²	122	90.1 Å²	90.1	74%	0.739	44%	0.443	S	S	*	.	S	Bend	trans	-100.5	-7.9	-171.1	-170.8	0	0	0	0	114.1
107	I	46.7	Very low	56.1	Low	72 Å²	72	90.3 Å²	90.3	37%	0.369	44%	0.443	S	S	.	.	S	Bend	trans	-106.1	126	-176	-53.6	172.7	0	0	0	109.9	D94 A99 R109	D94-I107 HydrophobicContact CB-CG2 4.22Å; A99-I107 HydrophobicContact CB-CD1 4.17Å; I107-R109 PolarHBondContact O-N 2.81Å; I107-R109 VanDerWaalsContact O-N 3.15Å
108	P	51.6	Low	55.7	Low	65 Å²	65	88.1 Å²	88.1	42%	0.422	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-58.9	121	175.5	22.5	-30.6	0	0	0	109.8	R110	P108-R110 PolarHBondContact O-N 3.32Å
109	R	56.5	Low	55.1	Low	206 Å²	206	88.4 Å²	88.4	78%	0.777	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-68	131.8	-177.5	-70	-175.9	179.9	178.5	2.5	110.5	I107	I107-R109 PolarHBondContact O-N 2.81Å; I107-R109 VanDerWaalsContact O-N 3.15Å
110	R	68.3	Low	54.4	Low	39 Å²	39	96 Å²	96	15%	0.147	49%	0.486	C	S	.	.	P	Polyproline II helix	trans	-58.7	132	165	-179.5	-171.3	-76.1	158.7	-4.3	109	Y96 P108 S112 D943 G945 Q1113	Y96-R110 PolarHBondContact OH-NH2 3.49Å; P108-R110 PolarHBondContact O-N 3.32Å; R110-S112 PolarHBondContact O-N 2.95Å; R110-D943 IonicContact CZ-OD1 2.72Å; R110-D943 IonicContact CZ-OD2 3.01Å; R110-D943 VanDerWaalsContact CZ-OD2 3.3Å; R110-D943 IonicContact NE-OD1 2.9Å; R110-D943 IonicContact NE-OD2 2.8Å; R110-D943 PolarHBondContact NE-OD2 2.88Å; R110-D943 IonicContact NH2-OD1 2.76Å; R110-D943 PolarHBondContact NH2-OD1 3.25Å; R110-D943 VanDerWaalsContact NH2-OD1 3.09Å; R110-D943 IonicContact NH2-OD2 2.78Å; R110-D943 PolarHBondContact NH2-OD2 2.89Å; R110-G945 VanDerWaalsContact NH1-CA 3.33Å; R110-Q1113 WeakPolarHBondContact CD-O 3.43Å; R110-Q1113 PolarHBondContact NH1-O 3.48Å
111	P	69.2	Low	53.5	Low	22 Å²	22	98.1 Å²	98.1	14%	0.143	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-59.9	134.9	174	-20.6	31.3	0	0	0	111.2	L116	P111-L116 HydrophobicContact CB-CD1 4.42Å; P111-L116 HydrophobicContact CB-CD2 4.04Å; P111-L116 HydrophobicContact CB-CG 4.04Å
112	S	68.5	Low	52.9	Low	52 Å²	52	100.9 Å²	100.9	36%	0.364	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-68.6	152.4	172.1	66	0	0	0	0	110.5	R110 K114 Q115 L116	R110-S112 PolarHBondContact O-N 2.95Å; S112-K114 PolarHBondContact O-N 3.41Å; S112-Q115 WeakPolarHBondContact O-CB 3.47Å; S112-Q115 PolarHBondContact O-N 3.35Å; S112-Q115 VanDerWaalsContact OG-CG 3.26Å; S112-Q115 WeakPolarHBondContact OG-CG 3.2Å; S112-Q115 PolarHBondContact OG-N 2.91Å; S112-Q115 PolarHBondContact OG-OE1 3.48Å; S112-Q115 VanDerWaalsContact OG-OE1 3.05Å; S112-L116 PolarHBondContact O-N 3.23Å
113	L	74.7	Confident	52.4	Low	5 Å²	5	103.8 Å²	103.8	3%	0.026	50%	0.502	C	S	.	.	H	α-helix	trans	-57.8	-37.1	176.8	-171.9	72.6	0	0	0	111.9	Q115 L116 H117 F759 V1081 N1112 Q1113	L113-Q115 VanDerWaalsContact C-N 3.33Å; L113-Q115 PolarHBondContact O-N 3.08Å; L113-L116 CarbonylContact O-C 3.47Å; L113-L116 WeakPolarHBondContact O-CB 3.46Å; L113-L116 PolarHBondContact O-N 3.41Å; L113-L116 VanDerWaalsContact O-N 3.14Å; L113-H117 VanDerWaalsContact O-CB 3.26Å; L113-H117 WeakPolarHBondContact O-CB 3.33Å; L113-H117 PolarHBondContact O-N 3.28Å; L113-F759 HydrophobicContact CD1-CD1 3.79Å; L113-F759 HydrophobicContact CD1-CE1 4.34Å; L113-F759 HydrophobicContact CD2-CB 4.21Å; L113-F759 HydrophobicContact CD2-CD1 4.01Å; L113-F759 VanDerWaalsContact CD2-O 3.25Å; L113-F759 WeakPolarHBondContact CD2-O 3.25Å; L113-F759 HydrophobicContact CG-CD1 4.37Å; L113-V1081 HydrophobicContact CD1-CG1 4.3Å; L113-V1081 HydrophobicContact CD1-CG2 4.06Å; L113-N1112 HydrophobicContact CD2-CB 4.49Å; L113-Q1113 HydrophobicContact CB-CG 4.4Å; L113-Q1113 HydrophobicContact CD1-CG 4.48Å
114	K	69.9	Low	51.8	Low	73 Å²	73	102.5 Å²	102.5	32%	0.317	50%	0.499	S	S	.	.	H	α-helix	trans	-61.1	-37.7	175.1	-67.8	-175.6	175.9	-178.4	0	112.9	S112 H117 G118 W121	S112-K114 PolarHBondContact O-N 3.41Å; K114-H117 PolarHBondContact O-N 2.92Å; K114-G118 PolarHBondContact O-N 2.92Å; K114-W121 VanDerWaalsContact NZ-NE1 3.13Å
115	Q	69.6	Low	51.2	Low	127 Å²	127	101 Å²	101	59%	0.593	50%	0.498	S	S	*	.	H	α-helix	trans	-69.5	-35.3	173.9	-75.4	166.4	-36.9	0	0	112.3	S112 L113 H117	S112-Q115 WeakPolarHBondContact O-CB 3.47Å; S112-Q115 PolarHBondContact O-N 3.35Å; S112-Q115 VanDerWaalsContact OG-CG 3.26Å; S112-Q115 WeakPolarHBondContact OG-CG 3.2Å; S112-Q115 PolarHBondContact OG-N 2.91Å; S112-Q115 PolarHBondContact OG-OE1 3.48Å; S112-Q115 VanDerWaalsContact OG-OE1 3.05Å; L113-Q115 VanDerWaalsContact C-N 3.33Å; L113-Q115 PolarHBondContact O-N 3.08Å; Q115-H117 VanDerWaalsContact C-N 3.33Å
116	L	69.9	Low	50.5	Low	9 Å²	9	101.8 Å²	101.8	5%	0.047	50%	0.502	C	S	.	.	H	α-helix	trans	-70.8	-30.7	174.4	-66	170.2	0	0	0	112.1	L87 E88 P111 S112 L113 V1081 Q1113	L87-L116 HydrophobicContact CB-CD2 4.3Å; L87-L116 HydrophobicContact CD2-CD2 4.02Å; L87-L116 HydrophobicContact CG-CD2 4.13Å; E88-L116 HydrophobicContact CG-CD2 4.19Å; P111-L116 HydrophobicContact CB-CD1 4.42Å; P111-L116 HydrophobicContact CB-CD2 4.04Å; P111-L116 HydrophobicContact CB-CG 4.04Å; S112-L116 PolarHBondContact O-N 3.23Å; L113-L116 CarbonylContact O-C 3.47Å; L113-L116 WeakPolarHBondContact O-CB 3.46Å; L113-L116 PolarHBondContact O-N 3.41Å; L113-L116 VanDerWaalsContact O-N 3.14Å; L116-V1081 HydrophobicContact CB-CB 4.46Å; L116-V1081 HydrophobicContact CB-CG1 4.33Å; L116-V1081 HydrophobicContact CD1-CG2 4.42Å; L116-Q1113 HydrophobicContact CD1-CG 3.93Å; L116-Q1113 VanDerWaalsContact CD1-NE2 3.35Å
117	H	72.7	Confident	49.8	Very low	4 Å²	4	104.4 Å²	104.4	2%	0.019	51%	0.511	C	S	.	.	H	α-helix	trans	-97.9	-24.9	-172.7	-151.4	66.5	0	0	0	114.9	L113 K114 Q115 H756 D760 V1081 P1082 K1084	L113-H117 VanDerWaalsContact O-CB 3.26Å; L113-H117 WeakPolarHBondContact O-CB 3.33Å; L113-H117 PolarHBondContact O-N 3.28Å; K114-H117 PolarHBondContact O-N 2.92Å; Q115-H117 VanDerWaalsContact C-N 3.33Å; H117-H756 AromaticContact CE1-CE1 3.61Å; H117-H756 AromaticContact CE1-CG 3.93Å; H117-H756 AromaticContact CE1-ND1 2.96Å; H117-H756 PolarHBondContact CE1-ND1 3.43Å; H117-H756 AromaticContact NE2-CE1 3.95Å; H117-H756 AromaticContact NE2-CG 3.86Å; H117-H756 AromaticContact NE2-ND1 2.98Å; H117-H756 PolarHBondContact NE2-ND1 3.38Å; H117-D760 IonicContact CD2-OD1 3.5Å; H117-D760 PolarHBondContact CD2-OD1 3.44Å; H117-D760 IonicContact NE2-OD1 2.68Å; H117-D760 PolarHBondContact NE2-OD1 3.42Å; H117-V1081 HydrophobicContact CB-CG1 4.45Å; H117-P1082 PolarHBondContact CE1-O 3.31Å; H117-P1082 PolarHBondContact ND1-O 3.49Å; H117-K1084 WeakPolarHBondContact O-CB 3.41Å; H117-K1084 PolarHBondContact O-N 3.01Å
118	G	58.9	Low	48.9	Very low	60 Å²	60	107.1 Å²	107.1	62%	0.619	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.4	48.8	169	0	0	0	0	0	116.8	K114	K114-G118 PolarHBondContact O-N 2.92Å
119	V	44.2	Very low	47.8	Very low	49 Å²	49	110 Å²	110	30%	0.297	55%	0.549	S	S	.	.			trans	-122.3	114	-175.9	-171.3	0	0	0	0	113.4	D760 K1084	V119-D760 WeakPolarHBondContact CG2-OD1 3.36Å; V119-K1084 HydrophobicContact CG2-CD 3.93Å
120	E	33.7	Very low	46.5	Very low	197 Å²	197	108.5 Å²	108.5	92%	0.921	56%	0.556	S	S	*	*			trans	-81.8	149.8	165.8	-92.3	171.3	153.4	0	0	111.8
121	W	27.7	Very low	44.8	Very low	177 Å²	177	111.9 Å²	111.9	67%	0.67	58%	0.583	S	S	*	*			trans	-114.3	130.2	-172.8	-72.9	63.3	0	0	0	111	K114	K114-W121 VanDerWaalsContact NZ-NE1 3.13Å
122	D	29.2	Very low	43	Very low	170 Å²	170	116.9 Å²	116.9	91%	0.909	62%	0.616	S	S	*	*			trans	-117	144.9	160.4	-81.5	-34.3	0	0	0	110.6
123	Q	27.8	Very low	41.2	Very low	174 Å²	174	124 Å²	124	81%	0.813	64%	0.643	S	S	*	*			trans	-93.4	150.8	-160.4	-69.1	176.2	-23.2	0	0	115.4
124	E	26.2	Very low	39	Very low	144 Å²	144	133.7 Å²	133.7	67%	0.673	69%	0.685	S	S	*	*			trans	76.6	122.4	140	-86.7	-174.2	173.4	0	0	123.3
125	K	27.7	Very low	37.1	Very low	183 Å²	183	134.5 Å²	134.5	80%	0.796	71%	0.705	S	S	*	*				151	128.7	94.1	-107.6	157.7	179.2	145.4	0	114.3
126	E	24.6	Very low	35.2	Very low	188 Å²	188	135.2 Å²	135.2	88%	0.879	72%	0.718	S	S	*	*			trans	-84.1	157.1	174.9	-75.6	176.8	133.5	0	0	113.6
127	L	27.6	Very low	33.2	Very low	177 Å²	177	141.5 Å²	141.5	93%	0.927	76%	0.757	S	S	*	*			trans	-155.8	149.9	144.4	-140	82.1	0	0	0	113.8
128	T	27.9	Very low	31.1	Very low	129 Å²	129	144.6 Å²	144.6	79%	0.791	79%	0.79	S	S	*	*			trans	-97.5	161.1	-160.5	24.3	0	0	0	0	116.3
129	P	28.8	Very low	30	Very low	124 Å²	124	147.8 Å²	147.8	81%	0.805	80%	0.803	S	S	*	*			trans	-107.7	168.8	178.7	38.9	-29.3	0	0	0	115.4
130	L	29.7	Very low	29.3	Very low	176 Å²	176	151.8 Å²	151.8	92%	0.921	82%	0.818	S	S	*	*			trans	-113.7	161.5	-172.5	-82.2	158.3	0	0	0	114.7
131	P	31.8	Very low	29.8	Very low	110 Å²	110	151.6 Å²	151.6	71%	0.714	81%	0.814	S	S	*	*			trans	-106.7	175	-155	41.3	-35.2	0	0	0	116.6
132	P	31.7	Very low	30.9	Very low	127 Å²	127	153.8 Å²	153.8	83%	0.825	83%	0.829	S	S	*	*			trans	-105.4	167.6	-176.2	38.9	-30.8	0	0	0	115.5
133	Q	30.7	Very low	32.7	Very low	201 Å²	201	148.8 Å²	148.8	94%	0.939	80%	0.799	S	S	*	*			trans	-117	151.6	-178.7	-81.3	-177.4	-4.7	0	0	114.8
134	K	28.3	Very low	35	Very low	208 Å²	208	142.8 Å²	142.8	90%	0.904	77%	0.772	S	S	*	*			trans	-103.8	161	179.1	-71.8	171.9	174	170.5	0	111.8
135	A	29.7	Very low	37.8	Very low	91 Å²	91	137.7 Å²	137.7	75%	0.752	76%	0.758	S	S	*	*			trans	173.8	156.7	143.4	0	0	0	0	0	109.2
136	T	30.7	Very low	40.7	Very low	141 Å²	141	133.4 Å²	133.4	87%	0.865	74%	0.737	S	S	*	*			cis	-165.1	160.3	-11.7	11.9	0	0	0	0	107.4
137	V	27.3	Very low	43.7	Very low	142 Å²	142	128.7 Å²	128.7	86%	0.861	72%	0.717	S	S	*	*			trans	-88.4	145.7	-173.1	173.7	0	0	0	0	112.7
138	G	29.7	Very low	46.2	Very low	69 Å²	69	125.5 Å²	125.5	71%	0.711	70%	0.697	S	S	*	*			trans	-99.4	131.2	176.8	0	0	0	0	0	116
139	S	34.2	Very low	48.6	Very low	126 Å²	126	119.3 Å²	119.3	88%	0.881	66%	0.66	S	S	*	*			trans	45.9	110.1	144.7	-174	0	0	0	0	121.6
140	E	31.1	Very low	51.4	Low	134 Å²	134	113.4 Å²	113.4	63%	0.626	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-94	153.5	176.1	-65.9	-172.5	142.4	0	0	114.9	K143	E140-K143 WeakPolarHBondContact OE1-CE 3.38Å; E140-K143 IonicContact OE1-NZ 2.65Å; E140-K143 PolarHBondContact OE1-NZ 2.89Å; E140-K143 WeakPolarHBondContact OE2-CE 3.46Å; E140-K143 IonicContact OE2-NZ 3.29Å; E140-K143 PolarHBondContact OE2-NZ 3.47Å
141	K	42.9	Very low	54.3	Low	192 Å²	192	106.2 Å²	106.2	84%	0.835	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-63.7	153.8	168.9	-65.3	176.1	176.6	179.8	0	111.4	K143	K141-K143 WeakPolarHBondContact O-CG 3.45Å; K141-K143 PolarHBondContact O-N 3.2Å
142	K	50.4	Low	56.8	Low	224 Å²	224	103.6 Å²	103.6	97%	0.974	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-51.7	120.4	176.6	-82.4	-177.2	176.5	-179.7	0	111.1
143	K	69	Low	59.3	Low	65 Å²	65	99.7 Å²	99.7	28%	0.283	53%	0.532	S	S	.	.			trans	-117.3	154.5	-177.8	-59.9	-157.8	-173.4	157.7	0	112.1	E140 K141 D370 L371 K372	E140-K143 WeakPolarHBondContact OE1-CE 3.38Å; E140-K143 IonicContact OE1-NZ 2.65Å; E140-K143 PolarHBondContact OE1-NZ 2.89Å; E140-K143 WeakPolarHBondContact OE2-CE 3.46Å; E140-K143 IonicContact OE2-NZ 3.29Å; E140-K143 PolarHBondContact OE2-NZ 3.47Å; K141-K143 WeakPolarHBondContact O-CG 3.45Å; K141-K143 PolarHBondContact O-N 3.2Å; K143-D370 CarbonylContact C-O 3.5Å; K143-D370 WeakPolarHBondContact CA-O 3.47Å; K143-D370 WeakPolarHBondContact CB-O 3.38Å; K143-L371 WeakPolarHBondContact CD-O 3.41Å; K143-K372 VanDerWaalsContact CB-CA 3.46Å; K143-K372 HydrophobicContact CB-CB 3.94Å; K143-K372 VanDerWaalsContact CB-N 3.33Å
144	L	75.3	Confident	62.1	Low	47 Å²	47	90.1 Å²	90.1	25%	0.246	49%	0.487	C	S	.	.	B	Isolated β-bridge	trans	-71.1	148.9	-178.3	-62.1	170.4	0	0	0	112.9	E148 I367 D370 L371 K372	L144-E148 HydrophobicContact CD2-CG 4.39Å; L144-I367 HydrophobicContact CD1-CD1 4.13Å; L144-D370 WeakPolarHBondContact CB-O 3.33Å; L144-D370 HydrophobicContact CD1-CB 4.09Å; L144-D370 PolarHBondContact N-O 3.46Å; L144-L371 HydrophobicContact CB-CD2 4.26Å; L144-L371 WeakPolarHBondContact O-CA 3.44Å; L144-K372 PolarHBondContact O-N 3.41Å
145	G	84.4	Confident	64.9	Low	38 Å²	38	81.4 Å²	81.4	39%	0.392	45%	0.451	S	S	.	.			trans	-80.2	175.1	172.4	0	0	0	0	0	113.2	G149	G145-G149 WeakPolarHBondContact O-CA 3.35Å; G145-G149 PolarHBondContact O-N 2.87Å
146	W	89.1	Confident	67.6	Low	93 Å²	93	77.5 Å²	77.5	35%	0.352	42%	0.418	S	S	.	.	H	α-helix	trans	-71.8	-30.3	-178.2	70.8	-88.5	0	0	0	114	V150 L151 A377 K380 I384	W146-V150 WeakPolarHBondContact O-CA 3.5Å; W146-V150 WeakPolarHBondContact O-CB 3.44Å; W146-V150 PolarHBondContact O-N 3.13Å; W146-V150 VanDerWaalsContact O-N 3.09Å; W146-L151 HydrophobicContact CE3-CB 4.37Å; W146-L151 HydrophobicContact CZ3-CB 4.29Å; W146-L151 HydrophobicContact CZ3-CD2 3.96Å; W146-L151 PolarHBondContact O-N 3.42Å; W146-A377 HydrophobicContact CB-CB 3.49Å; W146-A377 VanDerWaalsContact CB-CB 3.49Å; W146-K380 HydrophobicContact CE3-CB 4.38Å; W146-I384 HydrophobicContact CH2-CD1 4.27Å; W146-I384 HydrophobicContact CZ3-CD1 4.08Å
147	I	87.1	Confident	70.2	Confident	88 Å²	88	71.4 Å²	71.4	45%	0.451	38%	0.38	S	S	.	.	I	π-helix	trans	-69	-58.7	179	-58.1	175.5	0	0	0	109.6	L151 I152	I147-L151 PolarHBondContact O-N 3.32Å; I147-I152 HydrophobicContact CG2-CD1 4.32Å; I147-I152 HydrophobicContact CG2-CG1 4.48Å; I147-I152 WeakPolarHBondContact O-CG1 3.47Å; I147-I152 PolarHBondContact O-N 3.47Å
148	E	79.9	Confident	73.2	Confident	110 Å²	110	64.9 Å²	64.9	51%	0.514	34%	0.34	S	S	.	.	I	π-helix	trans	-68.6	-43	-177.5	-171.3	-177	177.6	0	0	112.3	L144	L144-E148 HydrophobicContact CD2-CG 4.39Å
149	G	79	Confident	76	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.308	C	S	.	.	I	π-helix	trans	-81	-34.7	-174.5	0	0	0	0	0	114.3	G145 R153 I367	G145-G149 WeakPolarHBondContact O-CA 3.35Å; G145-G149 PolarHBondContact O-N 2.87Å; G149-R153 WeakPolarHBondContact O-CD 3.45Å; G149-I367 VanDerWaalsContact O-CD1 3.26Å; G149-I367 WeakPolarHBondContact O-CD1 3.33Å
150	V	88.1	Confident	78.3	Confident	0 Å²	0	56 Å²	56	0%	0	27%	0.266	C	S	.	.	I	π-helix	trans	-115.9	-60.4	-172.2	-174.1	0	0	0	0	111.4	W146 I152 R153 C154 L371 A377 I378	W146-V150 WeakPolarHBondContact O-CA 3.5Å; W146-V150 WeakPolarHBondContact O-CB 3.44Å; W146-V150 PolarHBondContact O-N 3.13Å; W146-V150 VanDerWaalsContact O-N 3.09Å; V150-I152 PolarHBondContact O-N 3.31Å; V150-R153 PolarHBondContact O-N 3.46Å; V150-C154 WeakPolarHBondContact O-CB 3.39Å; V150-C154 PolarHBondContact O-N 2.91Å; V150-C154 PolarHBondContact O-SG 2.93Å; V150-L371 HydrophobicContact CG2-CD1 3.48Å; V150-L371 VanDerWaalsContact CG2-CD1 3.48Å; V150-L371 HydrophobicContact CG2-CD2 3.79Å; V150-L371 HydrophobicContact CG2-CG 4.31Å; V150-A377 HydrophobicContact CG2-CB 4.14Å; V150-I378 HydrophobicContact CG2-CG1 4.21Å
151	L	90.1	Very high	81	Confident	25 Å²	25	49.7 Å²	49.7	13%	0.131	24%	0.237	C	C	.	.	I	π-helix	trans	-58.3	-54.8	-170.9	178.4	65.7	0	0	0	111.8	W146 I147 R153 C154 V155 G381 I384 I388	W146-L151 HydrophobicContact CE3-CB 4.37Å; W146-L151 HydrophobicContact CZ3-CB 4.29Å; W146-L151 HydrophobicContact CZ3-CD2 3.96Å; W146-L151 PolarHBondContact O-N 3.42Å; I147-L151 PolarHBondContact O-N 3.32Å; L151-R153 VanDerWaalsContact C-N 3.31Å; L151-R153 PolarHBondContact O-N 3.26Å; L151-C154 PolarHBondContact O-N 3.48Å; L151-V155 HydrophobicContact CD1-CG2 4.2Å; L151-V155 WeakPolarHBondContact O-CG2 3.32Å; L151-V155 PolarHBondContact O-N 2.75Å; L151-G381 WeakPolarHBondContact CD1-O 3.05Å; L151-I384 HydrophobicContact CD1-CB 4.15Å; L151-I384 HydrophobicContact CD1-CG2 3.87Å; L151-I388 HydrophobicContact CD1-CD1 4.48Å
152	I	84.9	Confident	83.2	Confident	55 Å²	55	40.7 Å²	40.7	28%	0.282	20%	0.198	S	C	.	.	H	α-helix	trans	-59.7	-43.7	-178.1	-71.3	177.7	0	0	0	110.8	I147 V150 V155 L156 L299	I147-I152 HydrophobicContact CG2-CD1 4.32Å; I147-I152 HydrophobicContact CG2-CG1 4.48Å; I147-I152 WeakPolarHBondContact O-CG1 3.47Å; I147-I152 PolarHBondContact O-N 3.47Å; V150-I152 PolarHBondContact O-N 3.31Å; I152-V155 PolarHBondContact O-N 3.43Å; I152-L156 HydrophobicContact CG2-CD1 3.89Å; I152-L156 HydrophobicContact CG2-CG 4.41Å; I152-L156 WeakPolarHBondContact O-CB 3.38Å; I152-L156 VanDerWaalsContact O-CG 3.3Å; I152-L156 WeakPolarHBondContact O-CG 3.49Å; I152-L156 PolarHBondContact O-N 3.22Å; I152-L299 HydrophobicContact CD1-CD2 4.4Å; I152-L299 HydrophobicContact CG2-CD1 4.43Å; I152-L299 HydrophobicContact CG2-CD2 3.44Å; I152-L299 VanDerWaalsContact CG2-CD2 3.44Å
153	R	84.2	Confident	85.1	Confident	45 Å²	45	30 Å²	30	17%	0.17	15%	0.152	C	C	.	.	H	α-helix	trans	-66.6	-39.1	179.5	-67.7	-165	175.5	-169.4	-2.4	113.1	G149 V150 L151 N157 I367	G149-R153 WeakPolarHBondContact O-CD 3.45Å; V150-R153 PolarHBondContact O-N 3.46Å; L151-R153 VanDerWaalsContact C-N 3.31Å; L151-R153 PolarHBondContact O-N 3.26Å; R153-N157 WeakPolarHBondContact O-CB 3.38Å; R153-N157 PolarHBondContact O-N 2.69Å; R153-I367 VanDerWaalsContact NH1-CG1 3.34Å
154	C	88.1	Confident	86.2	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.2	-48.3	174.7	-70.7	0	0	0	0	110.8	V150 L151 L156 N157 I158 F361	V150-C154 WeakPolarHBondContact O-CB 3.39Å; V150-C154 PolarHBondContact O-N 2.91Å; V150-C154 PolarHBondContact O-SG 2.93Å; L151-C154 PolarHBondContact O-N 3.48Å; C154-L156 PolarHBondContact O-N 3.31Å; C154-N157 PolarHBondContact O-N 2.87Å; C154-I158 WeakPolarHBondContact O-CD1 3.43Å; C154-I158 WeakPolarHBondContact O-CG1 3.38Å; C154-I158 PolarHBondContact O-N 3.26Å; C154-F361 PolarHBondContact SG-O 2.79Å
155	V	88.4	Confident	86.9	Confident	25 Å²	25	24.9 Å²	24.9	15%	0.152	13%	0.127	C	C	.	.	H	α-helix	trans	-61.1	-45	179.6	172.1	0	0	0	0	111.1	L151 I152 N157 I158 I159 T389	L151-V155 HydrophobicContact CD1-CG2 4.2Å; L151-V155 WeakPolarHBondContact O-CG2 3.32Å; L151-V155 PolarHBondContact O-N 2.75Å; I152-V155 PolarHBondContact O-N 3.43Å; V155-N157 VanDerWaalsContact C-N 3.31Å; V155-N157 PolarHBondContact O-N 2.9Å; V155-I158 PolarHBondContact O-N 2.57Å; V155-I159 HydrophobicContact CG1-CD1 3.54Å; V155-I159 HydrophobicContact CG1-CG1 4.26Å; V155-I159 WeakPolarHBondContact O-CB 3.4Å; V155-I159 WeakPolarHBondContact O-CG1 3.34Å; V155-I159 PolarHBondContact O-N 3.07Å; V155-T389 HydrophobicContact CG1-CG2 4.29Å; V155-T389 HydrophobicContact CG2-CG2 4.35Å
156	L	84.6	Confident	87.2	Confident	9 Å²	9	23.5 Å²	23.5	5%	0.047	11%	0.11	C	C	.	.	H	α-helix	trans	-58.5	-40.7	177.8	-81.8	173.1	0	0	0	113.7	I152 C154 Q295 L299 L302 S461	I152-L156 HydrophobicContact CG2-CD1 3.89Å; I152-L156 HydrophobicContact CG2-CG 4.41Å; I152-L156 WeakPolarHBondContact O-CB 3.38Å; I152-L156 VanDerWaalsContact O-CG 3.3Å; I152-L156 WeakPolarHBondContact O-CG 3.49Å; I152-L156 PolarHBondContact O-N 3.22Å; C154-L156 PolarHBondContact O-N 3.31Å; L156-Q295 HydrophobicContact CD1-CB 4.49Å; L156-L299 HydrophobicContact CD1-CB 4.11Å; L156-L299 HydrophobicContact CD1-CD1 4.22Å; L156-L299 HydrophobicContact CD2-CB 3.8Å; L156-L299 HydrophobicContact CD2-CD1 3.39Å; L156-L299 HydrophobicContact CD2-CG 4.17Å; L156-L299 HydrophobicContact CG-CB 4.37Å; L156-L299 HydrophobicContact CG-CD1 3.72Å; L156-L302 HydrophobicContact CD2-CD2 3.85Å; L156-S461 PolarHBondContact O-OG 3.43Å
157	N	86	Confident	87.3	Confident	13 Å²	13	19.1 Å²	19.1	7%	0.07	9%	0.094	C	C	.	.	H	α-helix	trans	-84.6	-22.6	-174.3	-156.5	43.9	0	0	0	112.5	R153 C154 V155 G360 A363	R153-N157 WeakPolarHBondContact O-CB 3.38Å; R153-N157 PolarHBondContact O-N 2.69Å; C154-N157 PolarHBondContact O-N 2.87Å; V155-N157 VanDerWaalsContact C-N 3.31Å; V155-N157 PolarHBondContact O-N 2.9Å; N157-G360 WeakPolarHBondContact ND2-CA 3.13Å; N157-G360 PolarHBondContact ND2-O 2.96Å; N157-G360 VanDerWaalsContact ND2-O 3.15Å; N157-A363 HydrophobicContact CB-CB 3.86Å
158	I	89.9	Confident	87.5	Confident	4 Å²	4	15 Å²	15	2%	0.021	7%	0.072	C	C	.	.	H	α-helix	trans	-77.2	-45.1	171.1	-64.6	164.5	0	0	0	109.8	C154 V155 G160 A357 T359 F361 V386 T389 Y393	C154-I158 WeakPolarHBondContact O-CD1 3.43Å; C154-I158 WeakPolarHBondContact O-CG1 3.38Å; C154-I158 PolarHBondContact O-N 3.26Å; V155-I158 PolarHBondContact O-N 2.57Å; I158-G160 PolarHBondContact O-N 3.37Å; I158-A357 WeakPolarHBondContact CG2-O 3.23Å; I158-T359 VanDerWaalsContact CG1-O 3.31Å; I158-T359 WeakPolarHBondContact CG1-O 3.41Å; I158-F361 HydrophobicContact CD1-CB 4.03Å; I158-F361 HydrophobicContact CG1-CB 4.42Å; I158-V386 HydrophobicContact CD1-CG2 4.15Å; I158-T389 HydrophobicContact CB-CG2 3.97Å; I158-T389 HydrophobicContact CD1-CG2 4.21Å; I158-T389 HydrophobicContact CG2-CG2 3.75Å; I158-Y393 HydrophobicContact CG2-CE2 4.12Å; I158-Y393 PolarHBondContact O-OH 3.01Å
159	I	88.8	Confident	88.1	Confident	7 Å²	7	10 Å²	10	4%	0.036	5%	0.049	C	C	.	.	S	Bend	trans	-72.4	81.4	177.3	-58.7	174.6	0	0	0	109.7	V155 L163 L302 L306 T389 L392 S457	V155-I159 HydrophobicContact CG1-CD1 3.54Å; V155-I159 HydrophobicContact CG1-CG1 4.26Å; V155-I159 WeakPolarHBondContact O-CB 3.4Å; V155-I159 WeakPolarHBondContact O-CG1 3.34Å; V155-I159 PolarHBondContact O-N 3.07Å; I159-L163 HydrophobicContact CG2-CD2 3.76Å; I159-L302 HydrophobicContact CB-CD2 4.11Å; I159-L302 HydrophobicContact CG2-CD1 4Å; I159-L302 HydrophobicContact CG2-CD2 3.84Å; I159-L302 HydrophobicContact CG2-CG 4.29Å; I159-L306 HydrophobicContact CD1-CD1 4.15Å; I159-T389 HydrophobicContact CG1-CG2 4.12Å; I159-L392 HydrophobicContact CD1-CD2 3.72Å; I159-L392 HydrophobicContact CG1-CD2 4.28Å; I159-S457 PolarHBondContact O-OG 2.68Å
160	G	83.8	Confident	88.8	Confident	1 Å²	1	10 Å²	10	1%	0.01	5%	0.049	C	C	.	.			trans	-103	-169.5	179.2	0	0	0	0	0	113.6	I158 M162 L163 S457	I158-G160 PolarHBondContact O-N 3.37Å; G160-M162 PolarHBondContact O-N 2.72Å; G160-M162 VanDerWaalsContact O-N 3.08Å; G160-L163 PolarHBondContact O-N 2.96Å; G160-S457 WeakPolarHBondContact CA-OG 3.48Å; G160-S457 PolarHBondContact O-OG 3.39Å
161	V	86.7	Confident	89	Confident	2 Å²	2	10 Å²	10	1%	0.012	5%	0.049	C	C	.	.	H	α-helix	trans	-49.2	-36.6	176.7	67.3	0	0	0	0	113.7	L163 Y164 L165 V241 Y242 T458	V161-L163 VanDerWaalsContact C-N 3.25Å; V161-L163 PolarHBondContact O-N 3.1Å; V161-Y164 PolarHBondContact O-N 3.3Å; V161-L165 HydrophobicContact CG2-CB 4.22Å; V161-L165 HydrophobicContact CG2-CD1 3.36Å; V161-L165 HydrophobicContact CG2-CG 3.76Å; V161-L165 PolarHBondContact O-N 3.49Å; V161-V241 HydrophobicContact CG1-CG1 4.2Å; V161-Y242 HydrophobicContact CG1-CD1 4.14Å; V161-T458 HydrophobicContact CB-CG2 3.74Å; V161-T458 HydrophobicContact CG2-CG2 3.82Å
162	M	89.2	Confident	89.1	Confident	3 Å²	3	8.8 Å²	8.8	2%	0.015	4%	0.043	C	C	.	.	H	α-helix	trans	-66.2	-26.7	-172.1	-61.1	-55	-172.7	0	0	113.2	G160 Y164 R166 I167 V241 P356 A357 I518 A522	G160-M162 PolarHBondContact O-N 2.72Å; G160-M162 VanDerWaalsContact O-N 3.08Å; M162-Y164 VanDerWaalsContact C-N 3.31Å; M162-R166 PolarHBondContact O-N 3.5Å; M162-R166 HydrophobicContact SD-CB 4.05Å; M162-R166 HydrophobicContact SD-CG 3.7Å; M162-I167 PolarHBondContact O-N 3.03Å; M162-I167 VanDerWaalsContact O-N 3.11Å; M162-V241 HydrophobicContact CE-CG1 3.75Å; M162-P356 HydrophobicContact CE-CB 4.12Å; M162-P356 HydrophobicContact CE-CG 4.26Å; M162-A357 HydrophobicContact CB-CB 3.52Å; M162-A357 HydrophobicContact CG-CB 4.06Å; M162-I518 HydrophobicContact CE-CG2 4.14Å; M162-A522 HydrophobicContact CE-CB 4.34Å
163	L	91.2	Very high	89.5	Confident	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-63.5	-41.8	174.1	-177.3	66	0	0	0	110.7	I159 G160 V161 I167 L306 L392 Y393 V396	I159-L163 HydrophobicContact CG2-CD2 3.76Å; G160-L163 PolarHBondContact O-N 2.96Å; V161-L163 VanDerWaalsContact C-N 3.25Å; V161-L163 PolarHBondContact O-N 3.1Å; L163-I167 WeakPolarHBondContact O-CB 3.32Å; L163-I167 WeakPolarHBondContact O-CG2 3.42Å; L163-L306 HydrophobicContact CD2-CD2 3.75Å; L163-L392 HydrophobicContact CD2-CD2 4.34Å; L163-Y393 HydrophobicContact CB-CE1 3.64Å; L163-Y393 HydrophobicContact CD1-CD1 3.53Å; L163-Y393 HydrophobicContact CD1-CE1 3.52Å; L163-Y393 HydrophobicContact CD1-CE2 4.49Å; L163-Y393 HydrophobicContact CD1-CG 4.05Å; L163-Y393 HydrophobicContact CG-CE1 4.16Å; L163-V396 HydrophobicContact CD1-CB 4.15Å; L163-V396 HydrophobicContact CD1-CG1 4.13Å; L163-V396 HydrophobicContact CD1-CG2 4.16Å
164	Y	91	Very high	90	Very high	3 Å²	3	4.3 Å²	4.3	1%	0.012	2%	0.023	C	C	.	.	H	α-helix	trans	-86.1	-43.2	-174.5	-69.5	-82	0	0	0	113.5	V161 M162 L302 S305 L440 I450 V454	V161-Y164 PolarHBondContact O-N 3.3Å; M162-Y164 VanDerWaalsContact C-N 3.31Å; Y164-L302 HydrophobicContact CE2-CD1 3.87Å; Y164-L302 WeakPolarHBondContact OH-CD1 3.38Å; Y164-S305 PolarHBondContact OH-OG 2.98Å; Y164-L440 HydrophobicContact CD1-CB 4.45Å; Y164-L440 HydrophobicContact CD1-CD2 3.97Å; Y164-L440 HydrophobicContact CE1-CD2 4.5Å; Y164-I450 HydrophobicContact CD1-CG2 4Å; Y164-I450 HydrophobicContact CE1-CG2 4.05Å; Y164-V454 HydrophobicContact CD1-CG2 3.72Å; Y164-V454 HydrophobicContact CD2-CG2 4.15Å; Y164-V454 HydrophobicContact CE1-CG2 4.36Å; Y164-V454 HydrophobicContact CG-CG2 3.59Å
165	L	89.5	Confident	90.2	Very high	2 Å²	2	4.3 Å²	4.3	1%	0.01	2%	0.023	C	C	.	.	H	α-helix	trans	-99.6	-12.2	-169	-57.8	-170.6	0	0	0	114.7	V161 Y437 H438	V161-L165 HydrophobicContact CG2-CB 4.22Å; V161-L165 HydrophobicContact CG2-CD1 3.36Å; V161-L165 HydrophobicContact CG2-CG 3.76Å; V161-L165 PolarHBondContact O-N 3.49Å; L165-Y437 WeakPolarHBondContact CA-O 3.34Å; L165-Y437 WeakPolarHBondContact O-CB 3.38Å; L165-H438 WeakPolarHBondContact CD2-CE1 3.4Å; L165-H438 WeakPolarHBondContact CD2-ND1 3.46Å
166	R	91.2	Very high	90.5	Very high	9 Å²	9	3.2 Å²	3.2	3%	0.034	2%	0.016	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.6	-16.2	-171.1	-68.3	-65.7	-178.2	-93.5	4.4	114.8	M162 S168 W169 V170 V353 N519	M162-R166 PolarHBondContact O-N 3.5Å; M162-R166 HydrophobicContact SD-CB 4.05Å; M162-R166 HydrophobicContact SD-CG 3.7Å; R166-S168 VanDerWaalsContact C-N 3.33Å; R166-S168 PolarHBondContact O-N 3.03Å; R166-W169 PolarHBondContact O-N 3.13Å; R166-V170 WeakPolarHBondContact O-CG2 3.16Å; R166-V170 PolarHBondContact O-N 3.22Å; R166-V353 HydrophobicContact CG-CG1 4.35Å; R166-N519 PolarHBondContact NE-OD1 3.01Å; R166-N519 PolarHBondContact NH2-OD1 3.3Å
167	I	91.6	Very high	90.9	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.005	4%	0.04	C	C	.	.	H	α-helix	trans	-63.9	-38.7	179.3	-158	62.6	0	0	0	112.4	M162 L163 V170 A171 L183 Y354 Y393 V396 L397 L440	M162-I167 PolarHBondContact O-N 3.03Å; M162-I167 VanDerWaalsContact O-N 3.11Å; L163-I167 WeakPolarHBondContact O-CB 3.32Å; L163-I167 WeakPolarHBondContact O-CG2 3.42Å; I167-V170 PolarHBondContact O-N 2.85Å; I167-A171 PolarHBondContact O-N 3.43Å; I167-L183 HydrophobicContact CD1-CD1 4.16Å; I167-L183 HydrophobicContact CD1-CD2 4.22Å; I167-Y354 HydrophobicContact CD1-CE2 4.07Å; I167-Y393 HydrophobicContact CD1-CD1 4.11Å; I167-V396 HydrophobicContact CG1-CG1 4.34Å; I167-V396 HydrophobicContact CG2-CG1 3.73Å; I167-L397 HydrophobicContact CD1-CB 4.26Å; I167-L397 HydrophobicContact CD1-CD1 4.06Å; I167-L397 HydrophobicContact CG1-CB 4.19Å; I167-L397 HydrophobicContact CG1-CD1 4.17Å; I167-L440 HydrophobicContact CG2-CD1 3.77Å
168	S	92.1	Very high	91.3	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-63.6	-43.6	175	51.7	0	0	0	0	111.1	R166 V170 A171 A172	R166-S168 VanDerWaalsContact C-N 3.33Å; R166-S168 PolarHBondContact O-N 3.03Å; S168-V170 PolarHBondContact O-N 2.87Å; S168-A171 CarbonylContact O-C 3.42Å; S168-A171 WeakPolarHBondContact O-CB 3.43Å; S168-A171 PolarHBondContact O-N 3.3Å; S168-A172 PolarHBondContact O-N 2.82Å
169	W	92.4	Very high	91.5	Very high	6 Å²	6	9.4 Å²	9.4	2%	0.023	5%	0.048	C	C	.	.	H	α-helix	trans	-64.3	-37.7	176.7	179.4	82.6	0	0	0	112.7	R166 A172 Q173 E345 V350 V353 Y437	R166-W169 PolarHBondContact O-N 3.13Å; W169-A172 WeakPolarHBondContact O-CB 3.27Å; W169-A172 PolarHBondContact O-N 2.97Å; W169-Q173 HydrophobicContact CD2-CG 4.11Å; W169-Q173 HydrophobicContact CG-CG 4.45Å; W169-Q173 HydrophobicContact CZ2-CG 4.17Å; W169-Q173 WeakPolarHBondContact O-CG 3.31Å; W169-Q173 PolarHBondContact O-N 3.29Å; W169-E345 HydrophobicContact CH2-CG 4.12Å; W169-E345 HydrophobicContact CZ2-CG 3.65Å; W169-V350 HydrophobicContact CH2-CG2 3.8Å; W169-V350 HydrophobicContact CZ3-CB 4.28Å; W169-V350 HydrophobicContact CZ3-CG1 4.19Å; W169-V350 HydrophobicContact CZ3-CG2 3.82Å; W169-V353 HydrophobicContact CE3-CG1 4.47Å; W169-V353 HydrophobicContact CH2-CB 4.36Å; W169-V353 HydrophobicContact CH2-CG1 4.46Å; W169-V353 HydrophobicContact CH2-CG2 4.24Å; W169-V353 HydrophobicContact CZ3-CB 3.97Å; W169-V353 HydrophobicContact CZ3-CG1 3.9Å; W169-V353 HydrophobicContact CZ3-CG2 4.36Å; W169-Y437 HydrophobicContact CB-CD1 4.31Å; W169-Y437 HydrophobicContact CB-CE1 4.29Å; W169-Y437 AromaticContact CD1-CE1 3.57Å; W169-Y437 HydrophobicContact CG-CE1 4.11Å
170	V	93.1	Very high	91.8	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-61.9	-44.6	172.2	173.8	0	0	0	0	110.6	R166 I167 S168 A172 A174 L183 V350 Y354 L397	R166-V170 WeakPolarHBondContact O-CG2 3.16Å; R166-V170 PolarHBondContact O-N 3.22Å; I167-V170 PolarHBondContact O-N 2.85Å; S168-V170 PolarHBondContact O-N 2.87Å; V170-A172 VanDerWaalsContact C-N 3.29Å; V170-A172 PolarHBondContact O-N 2.71Å; V170-A174 WeakPolarHBondContact O-CB 3.37Å; V170-A174 PolarHBondContact O-N 3.29Å; V170-L183 HydrophobicContact CG1-CD1 4.31Å; V170-V350 HydrophobicContact CB-CG1 4.34Å; V170-V350 HydrophobicContact CG1-CG1 4.02Å; V170-V350 HydrophobicContact CG2-CG1 3.96Å; V170-Y354 HydrophobicContact CG2-CD2 4.26Å; V170-L397 HydrophobicContact CG1-CD1 4.25Å
171	A	93.1	Very high	92.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-63	-34.4	174.6	0	0	0	0	0	112.5	I167 S168 G175 L397 L433	I167-A171 PolarHBondContact O-N 3.43Å; S168-A171 CarbonylContact O-C 3.42Å; S168-A171 WeakPolarHBondContact O-CB 3.43Å; S168-A171 PolarHBondContact O-N 3.3Å; A171-G175 WeakPolarHBondContact O-CA 3.48Å; A171-G175 PolarHBondContact O-N 3.23Å; A171-G175 VanDerWaalsContact O-N 3.08Å; A171-L397 HydrophobicContact CB-CD1 3.7Å; A171-L433 HydrophobicContact CB-CD2 3.65Å
172	A	91.9	Very high	92.6	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-64.3	-57.2	176.9	0	0	0	0	0	111.4	S168 W169 V170 R406 L433 H434	S168-A172 PolarHBondContact O-N 2.82Å; W169-A172 WeakPolarHBondContact O-CB 3.27Å; W169-A172 PolarHBondContact O-N 2.97Å; V170-A172 VanDerWaalsContact C-N 3.29Å; V170-A172 PolarHBondContact O-N 2.71Å; A172-R406 PolarHBondContact O-NE 3.05Å; A172-R406 PolarHBondContact O-NH2 3.18Å; A172-L433 HydrophobicContact CB-CB 3.54Å; A172-L433 HydrophobicContact CB-CD2 4.48Å; A172-H434 HydrophobicContact CB-CB 4.44Å; A172-H434 PolarHBondContact O-NE2 2.72Å
173	Q	93.5	Very high	92.8	Very high	6 Å²	6	13.7 Å²	13.7	3%	0.028	7%	0.071	C	C	.	.	H	α-helix	trans	-73	-53.9	-171.4	-64.8	-73.5	-7.9	0	0	112.2	W169 P340 D341 W342 R343 V350 H434	W169-Q173 HydrophobicContact CD2-CG 4.11Å; W169-Q173 HydrophobicContact CG-CG 4.45Å; W169-Q173 HydrophobicContact CZ2-CG 4.17Å; W169-Q173 WeakPolarHBondContact O-CG 3.31Å; W169-Q173 PolarHBondContact O-N 3.29Å; Q173-P340 WeakPolarHBondContact O-CA 3.46Å; Q173-P340 WeakPolarHBondContact O-CB 3.49Å; Q173-D341 WeakPolarHBondContact CA-O 3.48Å; Q173-D341 CarbonylContact O-C 3.52Å; Q173-D341 PolarHBondContact O-N 3.24Å; Q173-D341 PolarHBondContact OE1-O 3.38Å; Q173-W342 HydrophobicContact CB-CE3 4.22Å; Q173-W342 HydrophobicContact CB-CZ3 4.19Å; Q173-R343 PolarHBondContact NE2-O 3.01Å; Q173-V350 HydrophobicContact CB-CG2 4.02Å; Q173-H434 PolarHBondContact NE2-ND1 2.66Å
174	A	93.2	Very high	93	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-85.6	-16.5	-175.9	0	0	0	0	0	112.4	V170 L178 P340 W342	V170-A174 WeakPolarHBondContact O-CB 3.37Å; V170-A174 PolarHBondContact O-N 3.29Å; A174-L178 HydrophobicContact CB-CB 4.18Å; A174-L178 HydrophobicContact CB-CD2 4.48Å; A174-L178 WeakPolarHBondContact O-CB 3Å; A174-P340 WeakPolarHBondContact O-CA 3.42Å; A174-P340 WeakPolarHBondContact O-CB 3.17Å; A174-W342 HydrophobicContact CB-CH2 4.03Å; A174-W342 HydrophobicContact CB-CZ3 4.49Å
175	G	94	Very high	93.1	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	71.4	174.1	-166.6	0	0	0	0	0	112.1	A171 G179 N337	A171-G175 WeakPolarHBondContact O-CA 3.48Å; A171-G175 PolarHBondContact O-N 3.23Å; A171-G175 VanDerWaalsContact O-N 3.08Å; G175-G179 VanDerWaalsContact O-CA 3.29Å; G175-G179 WeakPolarHBondContact O-CA 3.28Å; G175-G179 PolarHBondContact O-N 3.24Å; G175-N337 CarbonylContact C-O 3.56Å; G175-N337 WeakPolarHBondContact CA-O 3.34Å
176	L	94.2	Very high	93.3	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.01	10%	0.104	C	C	.	.	H	α-helix	trans	-66.4	-40.8	-176.5	-71.3	174.4	0	0	0	113.2	S180 L334 N337 L397	L176-S180 VanDerWaalsContact O-CB 3.28Å; L176-S180 WeakPolarHBondContact O-CB 3.38Å; L176-S180 PolarHBondContact O-N 2.8Å; L176-S180 PolarHBondContact O-OG 3.32Å; L176-L334 HydrophobicContact CD1-CD1 3.46Å; L176-L334 VanDerWaalsContact CD1-CD1 3.46Å; L176-N337 HydrophobicContact CD1-CB 4.41Å; L176-N337 HydrophobicContact CG-CB 4.47Å; L176-N337 PolarHBondContact N-O 3.48Å; L176-L397 HydrophobicContact CD2-CG 4.3Å; L176-L397 WeakPolarHBondContact CD2-O 3.36Å
177	L	93.7	Very high	93.4	Very high	106 Å²	106	20.1 Å²	20.1	56%	0.555	11%	0.107	S	C	*	.	H	α-helix	trans	-72.1	-52.3	-175.9	-66.6	178.5	0	0	0	111.8	S180 L181 S338	L177-S180 WeakPolarHBondContact O-CB 3.48Å; L177-S180 PolarHBondContact O-N 3.33Å; L177-L181 PolarHBondContact O-N 2.79Å; L177-L181 VanDerWaalsContact O-N 3.13Å; L177-S338 PolarHBondContact N-O 2.94Å
178	L	93.1	Very high	93.4	Very high	50 Å²	50	22.3 Å²	22.3	26%	0.262	13%	0.125	S	C	.	.	H	α-helix	trans	-74.6	-31.5	-179.5	-160.2	72.3	0	0	0	111.3	A174 S180 L181 V182 P340 W342 F347	A174-L178 HydrophobicContact CB-CB 4.18Å; A174-L178 HydrophobicContact CB-CD2 4.48Å; A174-L178 WeakPolarHBondContact O-CB 3Å; L178-S180 VanDerWaalsContact C-N 3.33Å; L178-L181 HydrophobicContact CD1-CD2 3.91Å; L178-L181 WeakPolarHBondContact O-CB 3.11Å; L178-L181 PolarHBondContact O-N 2.98Å; L178-L181 VanDerWaalsContact O-N 3.14Å; L178-V182 WeakPolarHBondContact O-CG2 3.34Å; L178-V182 PolarHBondContact O-N 2.78Å; L178-P340 HydrophobicContact CD2-CB 4.47Å; L178-W342 HydrophobicContact CD2-CH2 3.97Å; L178-W342 HydrophobicContact CD2-CZ2 3.44Å; L178-W342 VanDerWaalsContact CD2-CZ2 3.44Å; L178-F347 HydrophobicContact CD1-CD2 4.07Å; L178-F347 HydrophobicContact CD1-CE2 3.94Å; L178-F347 HydrophobicContact CD2-CD2 3.66Å; L178-F347 HydrophobicContact CD2-CE2 4.29Å; L178-F347 HydrophobicContact CG-CD2 3.64Å; L178-F347 HydrophobicContact CG-CE2 3.75Å
179	G	94.1	Very high	93.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.2	-43.7	168.6	0	0	0	0	0	111.7	G175 L181 V182 L183	G175-G179 VanDerWaalsContact O-CA 3.29Å; G175-G179 WeakPolarHBondContact O-CA 3.28Å; G175-G179 PolarHBondContact O-N 3.24Å; G179-L181 VanDerWaalsContact C-N 3.27Å; G179-L181 PolarHBondContact O-N 3.48Å; G179-V182 WeakPolarHBondContact O-CB 3.39Å; G179-V182 PolarHBondContact O-N 2.81Å; G179-V182 VanDerWaalsContact O-N 3.16Å; G179-L183 VanDerWaalsContact O-CD1 3.28Å; G179-L183 WeakPolarHBondContact O-CD1 3.47Å; G179-L183 PolarHBondContact O-N 2.9Å
180	S	94.8	Very high	93.7	Very high	13 Å²	13	22.2 Å²	22.2	9%	0.091	13%	0.125	C	C	.	.	H	α-helix	trans	-60.1	-38	173.4	-62.9	0	0	0	0	111.8	L176 L177 L178 L183 L184 W398	L176-S180 VanDerWaalsContact O-CB 3.28Å; L176-S180 WeakPolarHBondContact O-CB 3.38Å; L176-S180 PolarHBondContact O-N 2.8Å; L176-S180 PolarHBondContact O-OG 3.32Å; L177-S180 WeakPolarHBondContact O-CB 3.48Å; L177-S180 PolarHBondContact O-N 3.33Å; L178-S180 VanDerWaalsContact C-N 3.33Å; S180-L183 PolarHBondContact O-N 2.98Å; S180-L184 WeakPolarHBondContact O-CB 3.39Å; S180-L184 VanDerWaalsContact O-CG 3.27Å; S180-L184 WeakPolarHBondContact O-CG 3.34Å; S180-L184 PolarHBondContact O-N 3.4Å; S180-W398 PolarHBondContact OG-NE1 3.46Å
181	L	94.3	Very high	93.7	Very high	89 Å²	89	25.9 Å²	25.9	47%	0.466	14%	0.141	S	C	.	.	H	α-helix	trans	-64.5	-42.7	174.7	-177.3	64.6	0	0	0	112.3	L177 L178 G179 L183 L184 L185 F347	L177-L181 PolarHBondContact O-N 2.79Å; L177-L181 VanDerWaalsContact O-N 3.13Å; L178-L181 HydrophobicContact CD1-CD2 3.91Å; L178-L181 WeakPolarHBondContact O-CB 3.11Å; L178-L181 PolarHBondContact O-N 2.98Å; L178-L181 VanDerWaalsContact O-N 3.14Å; G179-L181 VanDerWaalsContact C-N 3.27Å; G179-L181 PolarHBondContact O-N 3.48Å; L181-L183 VanDerWaalsContact C-N 3.31Å; L181-L183 PolarHBondContact O-N 2.9Å; L181-L184 PolarHBondContact O-N 2.87Å; L181-L185 VanDerWaalsContact O-CB 3.23Å; L181-L185 WeakPolarHBondContact O-CB 3.4Å; L181-L185 PolarHBondContact O-N 3.22Å; L181-F347 HydrophobicContact CD2-CE2 4.34Å; L181-F347 HydrophobicContact CD2-CZ 4.3Å; L181-F347 HydrophobicContact CG-CZ 4.44Å
182	V	93.6	Very high	93.8	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-57.5	-45.7	174.4	171.8	0	0	0	0	110.9	L178 G179 S186 F347 L351 Y354	L178-V182 WeakPolarHBondContact O-CG2 3.34Å; L178-V182 PolarHBondContact O-N 2.78Å; G179-V182 WeakPolarHBondContact O-CB 3.39Å; G179-V182 PolarHBondContact O-N 2.81Å; G179-V182 VanDerWaalsContact O-N 3.16Å; V182-S186 WeakPolarHBondContact O-CB 3.38Å; V182-S186 PolarHBondContact O-N 3.38Å; V182-S186 VanDerWaalsContact O-N 3.1Å; V182-S186 PolarHBondContact O-OG 3.14Å; V182-F347 HydrophobicContact CG2-CD2 3.81Å; V182-F347 HydrophobicContact CG2-CE2 3.29Å; V182-F347 HydrophobicContact CG2-CZ 3.83Å; V182-L351 HydrophobicContact CG1-CB 4.34Å; V182-L351 HydrophobicContact CG1-CD1 3.85Å; V182-Y354 HydrophobicContact CG1-CD1 3.76Å; V182-Y354 HydrophobicContact CG1-CG 3.98Å
183	L	94	Very high	93.9	Very high	1 Å²	1	27 Å²	27	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-63.2	-47.8	178.5	-94	63.1	0	0	0	112.2	I167 V170 G179 S180 L181 S187 Y354 Y393 L394 L397	I167-L183 HydrophobicContact CD1-CD1 4.16Å; I167-L183 HydrophobicContact CD1-CD2 4.22Å; V170-L183 HydrophobicContact CG1-CD1 4.31Å; G179-L183 VanDerWaalsContact O-CD1 3.28Å; G179-L183 WeakPolarHBondContact O-CD1 3.47Å; G179-L183 PolarHBondContact O-N 2.9Å; S180-L183 PolarHBondContact O-N 2.98Å; L181-L183 VanDerWaalsContact C-N 3.31Å; L181-L183 PolarHBondContact O-N 2.9Å; L183-S187 VanDerWaalsContact O-CB 3.27Å; L183-S187 WeakPolarHBondContact O-CB 3.22Å; L183-S187 PolarHBondContact O-N 3.37Å; L183-S187 PolarHBondContact O-OG 3.07Å; L183-Y354 HydrophobicContact CB-CE1 4.47Å; L183-Y354 HydrophobicContact CD1-CD1 4.26Å; L183-Y354 HydrophobicContact CD1-CD2 3.88Å; L183-Y354 HydrophobicContact CD1-CE1 3.92Å; L183-Y354 HydrophobicContact CD1-CE2 3.5Å; L183-Y354 VanDerWaalsContact CD1-CE2 3.5Å; L183-Y354 HydrophobicContact CD1-CG 4.26Å; L183-Y354 HydrophobicContact CG-CE1 4Å; L183-Y354 HydrophobicContact CG-CE2 3.89Å; L183-Y354 WeakPolarHBondContact CG-OH 3.47Å; L183-Y393 WeakPolarHBondContact CD2-O 3.36Å; L183-L394 HydrophobicContact CB-CD2 3.94Å; L183-L394 HydrophobicContact CD2-CD2 3.79Å; L183-L394 HydrophobicContact CD2-CG 4.11Å; L183-L397 HydrophobicContact CD1-CD2 4.41Å; L183-L397 HydrophobicContact CD2-CB 4.08Å; L183-L397 HydrophobicContact CD2-CD2 3.97Å
184	L	94	Very high	94	Very high	94 Å²	94	26.8 Å²	26.8	49%	0.492	15%	0.146	S	C	.	.	H	α-helix	trans	-67.4	-41.1	-179.5	-74	173.8	0	0	0	112	S180 L181 S187 A188 L394	S180-L184 WeakPolarHBondContact O-CB 3.39Å; S180-L184 VanDerWaalsContact O-CG 3.27Å; S180-L184 WeakPolarHBondContact O-CG 3.34Å; S180-L184 PolarHBondContact O-N 3.4Å; L181-L184 PolarHBondContact O-N 2.87Å; L184-S187 PolarHBondContact O-N 3.1Å; L184-A188 VanDerWaalsContact O-CB 3.31Å; L184-A188 WeakPolarHBondContact O-CB 3.45Å; L184-A188 PolarHBondContact O-N 3.34Å; L184-L394 HydrophobicContact CD2-CD1 3.92Å; L184-L394 HydrophobicContact CG-CD2 4.49Å
185	L	93.1	Very high	94	Very high	41 Å²	41	27.4 Å²	27.4	22%	0.215	15%	0.15	C	C	.	.	H	α-helix	trans	-63.1	-46.4	177.5	-179.3	64.4	0	0	0	111.4	L181 A188 I189 L351 M573	L181-L185 VanDerWaalsContact O-CB 3.23Å; L181-L185 WeakPolarHBondContact O-CB 3.4Å; L181-L185 PolarHBondContact O-N 3.22Å; L185-A188 PolarHBondContact O-N 3.48Å; L185-I189 WeakPolarHBondContact O-CG1 3.27Å; L185-I189 PolarHBondContact O-N 2.97Å; L185-I189 VanDerWaalsContact O-N 3.11Å; L185-L351 HydrophobicContact CD2-CD1 4.37Å; L185-L351 HydrophobicContact CD2-CD2 4.07Å; L185-M573 HydrophobicContact CD1-CE 4.15Å; L185-M573 HydrophobicContact CD2-CE 3.76Å; L185-M573 HydrophobicContact CD2-SD 3.92Å; L185-M573 HydrophobicContact CG-CE 4.46Å
186	S	93.6	Very high	94.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.2	-43.1	176.5	-57.8	0	0	0	0	111.4	V182 A188 I189 V190 L351	V182-S186 WeakPolarHBondContact O-CB 3.38Å; V182-S186 PolarHBondContact O-N 3.38Å; V182-S186 VanDerWaalsContact O-N 3.1Å; V182-S186 PolarHBondContact O-OG 3.14Å; S186-A188 VanDerWaalsContact C-N 3.35Å; S186-A188 PolarHBondContact O-N 3.26Å; S186-I189 PolarHBondContact O-N 3.49Å; S186-V190 WeakPolarHBondContact O-CG2 3.48Å; S186-V190 PolarHBondContact O-N 3.41Å; S186-V190 VanDerWaalsContact O-N 3.15Å; S186-L351 VanDerWaalsContact OG-CD1 3.3Å; S186-L351 WeakPolarHBondContact OG-CD1 3.26Å
187	S	93	Very high	93.9	Very high	14 Å²	14	27.5 Å²	27.5	10%	0.098	15%	0.15	C	C	.	.	H	α-helix	trans	-63.7	-38.7	176.4	-61.8	0	0	0	0	111.9	L183 L184 V190 F191 S390	L183-S187 VanDerWaalsContact O-CB 3.27Å; L183-S187 WeakPolarHBondContact O-CB 3.22Å; L183-S187 PolarHBondContact O-N 3.37Å; L183-S187 PolarHBondContact O-OG 3.07Å; L184-S187 PolarHBondContact O-N 3.1Å; S187-V190 PolarHBondContact O-N 2.97Å; S187-F191 WeakPolarHBondContact O-CB 3.28Å; S187-F191 PolarHBondContact O-N 3.39Å; S187-S390 VanDerWaalsContact CB-OG 3.28Å; S187-S390 WeakPolarHBondContact CB-OG 3.38Å; S187-S390 PolarHBondContact OG-OG 3.3Å
188	A	93.4	Very high	93.9	Very high	47 Å²	47	22.6 Å²	22.6	39%	0.388	12%	0.124	S	C	.	.	H	α-helix	trans	-63.9	-45	177.3	0	0	0	0	0	111.6	L184 L185 S186 V190 F191 L192	L184-A188 VanDerWaalsContact O-CB 3.31Å; L184-A188 WeakPolarHBondContact O-CB 3.45Å; L184-A188 PolarHBondContact O-N 3.34Å; L185-A188 PolarHBondContact O-N 3.48Å; S186-A188 VanDerWaalsContact C-N 3.35Å; S186-A188 PolarHBondContact O-N 3.26Å; A188-V190 VanDerWaalsContact C-N 3.33Å; A188-V190 PolarHBondContact O-N 3.18Å; A188-F191 PolarHBondContact O-N 3.42Å; A188-L192 WeakPolarHBondContact O-CB 3.21Å; A188-L192 WeakPolarHBondContact O-CG 3.29Å; A188-L192 PolarHBondContact O-N 2.84Å
189	I	94.4	Very high	93.9	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-57.8	-47.3	176	-70.5	167.5	0	0	0	111	L185 S186 T193 F355 Y533 T569 C570 M573	L185-I189 WeakPolarHBondContact O-CG1 3.27Å; L185-I189 PolarHBondContact O-N 2.97Å; L185-I189 VanDerWaalsContact O-N 3.11Å; S186-I189 PolarHBondContact O-N 3.49Å; I189-T193 WeakPolarHBondContact O-CB 3.36Å; I189-T193 PolarHBondContact O-N 2.76Å; I189-T193 PolarHBondContact O-OG1 3.25Å; I189-F355 HydrophobicContact CB-CE2 4.42Å; I189-F355 HydrophobicContact CD1-CE2 4.32Å; I189-F355 HydrophobicContact CG2-CE2 4.07Å; I189-F355 HydrophobicContact CG2-CZ 4.29Å; I189-Y533 HydrophobicContact CG2-CD2 4.45Å; I189-T569 HydrophobicContact CD1-CG2 4.19Å; I189-T569 HydrophobicContact CG1-CG2 3.87Å; I189-C570 WeakPolarHBondContact CG2-SG 3.25Å; I189-M573 HydrophobicContact CD1-CB 4.5Å; I189-M573 HydrophobicContact CD1-CG 4.06Å
190	V	94.5	Very high	93.7	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.012	11%	0.112	C	C	.	.	H	α-helix	trans	-67.2	-41.3	179.8	168.7	0	0	0	0	111.1	S186 S187 A188 T193 A194 A358 F361 V386 Y533	S186-V190 WeakPolarHBondContact O-CG2 3.48Å; S186-V190 PolarHBondContact O-N 3.41Å; S186-V190 VanDerWaalsContact O-N 3.15Å; S187-V190 PolarHBondContact O-N 2.97Å; A188-V190 VanDerWaalsContact C-N 3.33Å; A188-V190 PolarHBondContact O-N 3.18Å; V190-T193 CarbonylContact O-C 3.58Å; V190-T193 PolarHBondContact O-N 3.33Å; V190-A194 WeakPolarHBondContact O-CB 3.49Å; V190-A194 PolarHBondContact O-N 2.96Å; V190-A358 HydrophobicContact CG2-CB 3.89Å; V190-A358 WeakPolarHBondContact CG2-O 3.35Å; V190-F361 HydrophobicContact CG1-CB 4.34Å; V190-F361 HydrophobicContact CG1-CD1 3.45Å; V190-F361 VanDerWaalsContact CG1-CD1 3.45Å; V190-F361 HydrophobicContact CG1-CE1 3.84Å; V190-F361 HydrophobicContact CG1-CG 3.95Å; V190-F361 HydrophobicContact CG2-CE1 4.5Å; V190-V386 HydrophobicContact CG1-CG1 4.01Å; V190-V386 HydrophobicContact CG1-CG2 3.86Å; V190-Y533 HydrophobicContact CG2-CE2 4.36Å
191	F	94.5	Very high	93.5	Very high	78 Å²	78	19.6 Å²	19.6	34%	0.342	11%	0.108	S	C	.	.	H	α-helix	trans	-62.9	-47.4	177.8	-172.1	-95.8	0	0	0	111.9	S187 A188 T193 A194 L195 I383	S187-F191 WeakPolarHBondContact O-CB 3.28Å; S187-F191 PolarHBondContact O-N 3.39Å; A188-F191 PolarHBondContact O-N 3.42Å; F191-T193 VanDerWaalsContact C-N 3.26Å; F191-T193 PolarHBondContact O-N 2.83Å; F191-A194 WeakPolarHBondContact O-CB 3.45Å; F191-A194 PolarHBondContact O-N 3.07Å; F191-A194 VanDerWaalsContact O-N 3.12Å; F191-L195 HydrophobicContact CD1-CD1 4.1Å; F191-L195 HydrophobicContact CD1-CG 4.4Å; F191-L195 HydrophobicContact CE1-CD1 3.85Å; F191-L195 HydrophobicContact CE1-CD2 4.33Å; F191-L195 HydrophobicContact CE1-CG 4.21Å; F191-L195 HydrophobicContact CZ-CD2 4.47Å; F191-L195 WeakPolarHBondContact O-CG 3.28Å; F191-L195 PolarHBondContact O-N 3.08Å; F191-I383 HydrophobicContact CE2-CG2 3.92Å
192	L	94.5	Very high	93.3	Very high	24 Å²	24	16.4 Å²	16.4	13%	0.126	9%	0.092	C	C	.	.	H	α-helix	trans	-57.1	-42.5	174.2	-69.2	172.7	0	0	0	111.3	A188 L195 S196 L562	A188-L192 WeakPolarHBondContact O-CB 3.21Å; A188-L192 WeakPolarHBondContact O-CG 3.29Å; A188-L192 PolarHBondContact O-N 2.84Å; L192-L195 PolarHBondContact O-N 3.33Å; L192-S196 PolarHBondContact O-N 3.2Å; L192-S196 VanDerWaalsContact O-N 3.15Å; L192-S196 PolarHBondContact O-OG 2.8Å; L192-L562 HydrophobicContact CD2-CD1 3.26Å; L192-L562 HydrophobicContact CD2-CD2 4.07Å; L192-L562 HydrophobicContact CD2-CG 3.44Å; L192-L562 VanDerWaalsContact CD2-CG 3.44Å
193	T	95	Very high	92.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-70.2	-33.3	178.1	-49.1	0	0	0	0	112	I189 V190 F191 S196 M197 F361 Y533 I536 N537	I189-T193 WeakPolarHBondContact O-CB 3.36Å; I189-T193 PolarHBondContact O-N 2.76Å; I189-T193 PolarHBondContact O-OG1 3.25Å; V190-T193 CarbonylContact O-C 3.58Å; V190-T193 PolarHBondContact O-N 3.33Å; F191-T193 VanDerWaalsContact C-N 3.26Å; F191-T193 PolarHBondContact O-N 2.83Å; T193-S196 PolarHBondContact O-N 2.89Å; T193-M197 WeakPolarHBondContact O-CB 3Å; T193-M197 PolarHBondContact O-N 3.47Å; T193-F361 HydrophobicContact CG2-CZ 3.84Å; T193-Y533 HydrophobicContact CG2-CD1 3.87Å; T193-Y533 HydrophobicContact CG2-CG 3.9Å; T193-I536 HydrophobicContact CG2-CG2 4.24Å; T193-N537 WeakPolarHBondContact CA-OD1 3.19Å; T193-N537 PolarHBondContact OG1-ND2 3.46Å
194	A	94.1	Very high	92.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-66.1	-34.8	173.1	0	0	0	0	0	112.4	V190 F191 M197 S198 F361 T382	V190-A194 WeakPolarHBondContact O-CB 3.49Å; V190-A194 PolarHBondContact O-N 2.96Å; F191-A194 WeakPolarHBondContact O-CB 3.45Å; F191-A194 PolarHBondContact O-N 3.07Å; F191-A194 VanDerWaalsContact O-N 3.12Å; A194-M197 PolarHBondContact O-N 3.41Å; A194-S198 VanDerWaalsContact O-CB 3.32Å; A194-S198 WeakPolarHBondContact O-CB 3.23Å; A194-S198 PolarHBondContact O-N 3.24Å; A194-S198 PolarHBondContact O-OG 3.39Å; A194-F361 HydrophobicContact CB-CD2 4.31Å; A194-F361 HydrophobicContact CB-CE2 4.2Å; A194-T382 HydrophobicContact CB-CG2 3.94Å
195	L	94.5	Very high	91.4	Very high	14 Å²	14	24 Å²	24	7%	0.073	14%	0.136	C	C	.	.	H	α-helix	trans	-66.1	-46.5	172.5	-62.5	174.5	0	0	0	111.3	F191 L192 M197 S198 A199 I383 F555 F557 L562	F191-L195 HydrophobicContact CD1-CD1 4.1Å; F191-L195 HydrophobicContact CD1-CG 4.4Å; F191-L195 HydrophobicContact CE1-CD1 3.85Å; F191-L195 HydrophobicContact CE1-CD2 4.33Å; F191-L195 HydrophobicContact CE1-CG 4.21Å; F191-L195 HydrophobicContact CZ-CD2 4.47Å; F191-L195 WeakPolarHBondContact O-CG 3.28Å; F191-L195 PolarHBondContact O-N 3.08Å; L192-L195 PolarHBondContact O-N 3.33Å; L195-M197 VanDerWaalsContact C-N 3.35Å; L195-M197 PolarHBondContact O-N 3.47Å; L195-S198 WeakPolarHBondContact O-CB 3.47Å; L195-S198 PolarHBondContact O-N 3.02Å; L195-A199 PolarHBondContact O-N 2.94Å; L195-I383 HydrophobicContact CD2-CD1 4.02Å; L195-F555 HydrophobicContact CD2-CE1 3.68Å; L195-F555 HydrophobicContact CD2-CZ 4.16Å; L195-F557 HydrophobicContact CD2-CB 4.39Å; L195-L562 HydrophobicContact CD1-CD2 3.43Å; L195-L562 VanDerWaalsContact CD1-CD2 3.43Å; L195-L562 HydrophobicContact CD1-CG 4.5Å
196	S	94.6	Very high	90.4	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.007	13%	0.132	C	C	.	.	H	α-helix	trans	-60.1	-44.3	174	-60	0	0	0	0	111.4	L192 T193 S198 A199 I200 N537 S563	L192-S196 PolarHBondContact O-N 3.2Å; L192-S196 VanDerWaalsContact O-N 3.15Å; L192-S196 PolarHBondContact O-OG 2.8Å; T193-S196 PolarHBondContact O-N 2.89Å; S196-S198 VanDerWaalsContact C-N 3.31Å; S196-S198 PolarHBondContact O-N 3.48Å; S196-A199 WeakPolarHBondContact O-CB 3.34Å; S196-A199 PolarHBondContact O-N 3.28Å; S196-A199 VanDerWaalsContact O-N 3.17Å; S196-I200 WeakPolarHBondContact O-CG1 3.5Å; S196-I200 PolarHBondContact O-N 2.89Å; S196-N537 WeakPolarHBondContact CB-OD1 3.46Å; S196-N537 PolarHBondContact OG-OD1 3.37Å; S196-S563 WeakPolarHBondContact OG-CB 3.18Å; S196-S563 PolarHBondContact OG-OG 3.16Å
197	M	91.9	Very high	89.1	Confident	3 Å²	3	32.5 Å²	32.5	2%	0.015	17%	0.167	C	C	.	.	H	α-helix	trans	-63.8	-37.3	177.1	-173.6	58.9	-175.9	0	0	112.1	T193 A194 L195 A199 I200 C201 T211 I215 L362 A365	T193-M197 WeakPolarHBondContact O-CB 3Å; T193-M197 PolarHBondContact O-N 3.47Å; A194-M197 PolarHBondContact O-N 3.41Å; L195-M197 VanDerWaalsContact C-N 3.35Å; L195-M197 PolarHBondContact O-N 3.47Å; M197-A199 VanDerWaalsContact C-N 3.32Å; M197-A199 PolarHBondContact O-N 2.93Å; M197-I200 PolarHBondContact O-N 3.36Å; M197-I200 HydrophobicContact SD-CD1 4.5Å; M197-C201 WeakPolarHBondContact O-CB 3.28Å; M197-C201 PolarHBondContact O-N 2.66Å; M197-C201 PolarHBondContact O-SG 3.23Å; M197-T211 HydrophobicContact CE-CG2 3.79Å; M197-I215 HydrophobicContact SD-CD1 4.47Å; M197-I215 HydrophobicContact SD-CG1 4.38Å; M197-L362 HydrophobicContact CB-CD2 4.47Å; M197-L362 HydrophobicContact CE-CD2 4.16Å; M197-L362 HydrophobicContact CG-CD2 3.74Å; M197-L362 HydrophobicContact SD-CD2 4.06Å; M197-A365 HydrophobicContact CE-CB 3.65Å
198	S	92.3	Very high	87.6	Confident	2 Å²	2	34.9 Å²	34.9	1%	0.014	19%	0.193	C	C	.	.	H	α-helix	trans	-64.3	-36.5	174.8	-62.6	0	0	0	0	112.1	A194 L195 S196 C201 T202 P379	A194-S198 VanDerWaalsContact O-CB 3.32Å; A194-S198 WeakPolarHBondContact O-CB 3.23Å; A194-S198 PolarHBondContact O-N 3.24Å; A194-S198 PolarHBondContact O-OG 3.39Å; L195-S198 WeakPolarHBondContact O-CB 3.47Å; L195-S198 PolarHBondContact O-N 3.02Å; S196-S198 VanDerWaalsContact C-N 3.31Å; S196-S198 PolarHBondContact O-N 3.48Å; S198-C201 PolarHBondContact O-N 2.78Å; S198-T202 WeakPolarHBondContact O-CG2 3.4Å; S198-T202 PolarHBondContact O-N 3.4Å; S198-T202 PolarHBondContact O-OG1 2.81Å; S198-P379 WeakPolarHBondContact OG-CA 3.37Å
199	A	92.7	Very high	86.4	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.4	-43.3	173.2	0	0	0	0	0	111.9	L195 S196 M197 C201 T202 N203 P553 Y558	L195-A199 PolarHBondContact O-N 2.94Å; S196-A199 WeakPolarHBondContact O-CB 3.34Å; S196-A199 PolarHBondContact O-N 3.28Å; S196-A199 VanDerWaalsContact O-N 3.17Å; M197-A199 VanDerWaalsContact C-N 3.32Å; M197-A199 PolarHBondContact O-N 2.93Å; A199-C201 PolarHBondContact O-N 3.15Å; A199-T202 PolarHBondContact O-N 3.33Å; A199-T202 PolarHBondContact O-OG1 2.76Å; A199-T202 VanDerWaalsContact O-OG1 3.1Å; A199-N203 PolarHBondContact O-N 3.31Å; A199-P553 HydrophobicContact CB-CB 3.7Å; A199-Y558 HydrophobicContact CB-CD1 4.14Å; A199-Y558 HydrophobicContact CB-CD2 3.29Å; A199-Y558 HydrophobicContact CB-CE2 3.72Å; A199-Y558 HydrophobicContact CB-CG 3.52Å
200	I	91.5	Very high	85.7	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-64.5	-40.5	176	-59.4	169.2	0	0	0	110.8	S196 M197 T202 N203 I214 S218 L219 I536 F551	S196-I200 WeakPolarHBondContact O-CG1 3.5Å; S196-I200 PolarHBondContact O-N 2.89Å; M197-I200 PolarHBondContact O-N 3.36Å; M197-I200 HydrophobicContact SD-CD1 4.5Å; I200-T202 VanDerWaalsContact C-N 3.3Å; I200-T202 PolarHBondContact O-N 3.4Å; I200-N203 WeakPolarHBondContact O-CB 3.39Å; I200-N203 PolarHBondContact O-N 3.35Å; I200-I214 HydrophobicContact CG2-CG2 3.67Å; I200-S218 PolarHBondContact O-OG 2.86Å; I200-L219 HydrophobicContact CD1-CD1 3.91Å; I200-I536 HydrophobicContact CD1-CG2 3.93Å; I200-F551 HydrophobicContact CG1-CE2 4.43Å
201	C	89.8	Confident	85.2	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-70.6	-23	178.9	-67.7	0	0	0	0	113.7	M197 S198 A199 N203 I206 I378	M197-C201 WeakPolarHBondContact O-CB 3.28Å; M197-C201 PolarHBondContact O-N 2.66Å; M197-C201 PolarHBondContact O-SG 3.23Å; S198-C201 PolarHBondContact O-N 2.78Å; A199-C201 PolarHBondContact O-N 3.15Å; C201-N203 VanDerWaalsContact C-N 3.33Å; C201-I206 HydrophobicContact CB-CD1 3.9Å; C201-I206 WeakPolarHBondContact O-CD1 3.34Å; C201-I206 WeakPolarHBondContact O-CG1 3.12Å; C201-I378 HydrophobicContact CB-CG2 4.47Å
202	T	89.9	Confident	84.9	Confident	21 Å²	21	31 Å²	31	13%	0.129	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	3.9	176.2	53.3	0	0	0	0	112.7	S198 A199 I200 G204 E375 P379 A554 F555	S198-T202 WeakPolarHBondContact O-CG2 3.4Å; S198-T202 PolarHBondContact O-N 3.4Å; S198-T202 PolarHBondContact O-OG1 2.81Å; A199-T202 PolarHBondContact O-N 3.33Å; A199-T202 PolarHBondContact O-OG1 2.76Å; A199-T202 VanDerWaalsContact O-OG1 3.1Å; I200-T202 VanDerWaalsContact C-N 3.3Å; I200-T202 PolarHBondContact O-N 3.4Å; T202-G204 PolarHBondContact O-N 3.3Å; T202-E375 WeakPolarHBondContact CG2-O 3.43Å; T202-P379 HydrophobicContact CG2-CG 4.16Å; T202-A554 PolarHBondContact OG1-N 3.29Å; T202-F555 HydrophobicContact CG2-CB 4.13Å; T202-F555 WeakPolarHBondContact OG1-CB 3.48Å; T202-F555 PolarHBondContact OG1-N 2.89Å
203	N	86.1	Confident	84.4	Confident	21 Å²	21	32.4 Å²	32.4	11%	0.112	18%	0.183	C	C	.	.	S	Bend	trans	-88.9	87	177.6	-172.7	42.5	0	0	0	111.3	A199 I200 C201 S218 G550 F551 R552	A199-N203 PolarHBondContact O-N 3.31Å; I200-N203 WeakPolarHBondContact O-CB 3.39Å; I200-N203 PolarHBondContact O-N 3.35Å; C201-N203 VanDerWaalsContact C-N 3.33Å; N203-S218 PolarHBondContact ND2-OG 2.89Å; N203-G550 PolarHBondContact ND2-O 3.25Å; N203-G550 PolarHBondContact OD1-O 2.92Å; N203-F551 WeakPolarHBondContact OD1-CA 3.44Å; N203-R552 PolarHBondContact OD1-N 3.07Å
204	G	79.4	Confident	83.9	Confident	48 Å²	48	32.8 Å²	32.8	50%	0.495	19%	0.185	S	C	.	.	S	Bend	trans	79.8	-173.3	179	0	0	0	0	0	114.2	T202 I206	T202-G204 PolarHBondContact O-N 3.3Å; G204-I206 PolarHBondContact O-N 3.42Å
205	K	76.8	Confident	83.6	Confident	187 Å²	187	33 Å²	33	81%	0.813	19%	0.186	S	C	*	.			trans	-79.8	115.8	-178.5	-71.9	-167.8	174.9	-170.4	0	111.1	R207	K205-R207 PolarHBondContact O-N 3.2Å
206	I	72.5	Confident	83.2	Confident	27 Å²	27	32.3 Å²	32.3	14%	0.138	18%	0.182	C	C	.	.			trans	-70.4	121.8	173.1	-61	167	0	0	0	109.8	C201 G204 I214 P374 I378	C201-I206 HydrophobicContact CB-CD1 3.9Å; C201-I206 WeakPolarHBondContact O-CD1 3.34Å; C201-I206 WeakPolarHBondContact O-CG1 3.12Å; G204-I206 PolarHBondContact O-N 3.42Å; I206-I214 HydrophobicContact CD1-CD1 4.19Å; I206-I214 HydrophobicContact CG1-CD1 4.38Å; I206-I214 HydrophobicContact CG1-CG1 4.26Å; I206-I214 HydrophobicContact CG2-CD1 3.73Å; I206-I214 HydrophobicContact CG2-CG1 3.67Å; I206-P374 HydrophobicContact CB-CB 4.09Å; I206-P374 HydrophobicContact CB-CG 3.71Å; I206-P374 HydrophobicContact CD1-CB 3.76Å; I206-P374 HydrophobicContact CD1-CG 4.12Å; I206-P374 HydrophobicContact CG1-CG 4.46Å; I206-P374 HydrophobicContact CG2-CB 4.15Å; I206-P374 HydrophobicContact CG2-CG 4.1Å; I206-I378 HydrophobicContact CD1-CD1 4.11Å
207	R	66.5	Low	82.7	Confident	192 Å²	192	36.9 Å²	36.9	73%	0.725	20%	0.199	S	C	*	.			trans	-98.4	162.9	167.2	-65.6	-173.8	177.7	178.3	-0.4	110.3	K205 G209 F213	K205-R207 PolarHBondContact O-N 3.2Å; R207-G209 VanDerWaalsContact C-N 3.33Å; R207-G209 PolarHBondContact O-N 3.44Å; R207-F213 HydrophobicContact CB-CE1 3.92Å; R207-F213 HydrophobicContact CB-CZ 4.4Å
208	G	60.9	Low	82.3	Confident	63 Å²	63	37.6 Å²	37.6	65%	0.649	21%	0.205	S	C	*	.	S	Bend	trans	-73.5	70.3	-171.4	0	0	0	0	0	116.8
209	G	68.1	Low	81.8	Confident	29 Å²	29	38 Å²	38	30%	0.299	21%	0.207	S	C	.	.	S	Bend	trans	-124.3	8.7	174.2	0	0	0	0	0	115.1	R207 F213	R207-G209 VanDerWaalsContact C-N 3.33Å; R207-G209 PolarHBondContact O-N 3.44Å; G209-F213 VanDerWaalsContact CA-CB 3.45Å; G209-F213 WeakPolarHBondContact O-CB 3.45Å
210	G	79.3	Confident	81.2	Confident	9 Å²	9	38.2 Å²	38.2	9%	0.093	21%	0.209	C	C	.	.	H	α-helix	trans	71.8	-168.9	179.9	0	0	0	0	0	114.3	Y212 F213 I214 A365 N366 S368	G210-Y212 PolarHBondContact O-N 3.09Å; G210-F213 PolarHBondContact O-N 2.91Å; G210-I214 WeakPolarHBondContact O-CG1 3.31Å; G210-I214 PolarHBondContact O-N 3.44Å; G210-I214 VanDerWaalsContact O-N 3.14Å; G210-A365 CarbonylContact C-O 3.59Å; G210-N366 VanDerWaalsContact CA-O 3.29Å; G210-N366 WeakPolarHBondContact CA-O 3.34Å; G210-S368 WeakPolarHBondContact CA-OG 3.46Å; G210-S368 PolarHBondContact N-OG 2.81Å
211	T	83.6	Confident	80.9	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.012	21%	0.211	C	C	.	.	H	α-helix	trans	-56.8	-46.5	-175.1	-59.4	0	0	0	0	112.7	M197 F213 I214 I215 F231 L362 A365 N366	M197-T211 HydrophobicContact CE-CG2 3.79Å; T211-F213 PolarHBondContact O-N 3.25Å; T211-I214 PolarHBondContact O-N 2.72Å; T211-I215 HydrophobicContact CG2-CD1 3.65Å; T211-I215 HydrophobicContact CG2-CG1 4.44Å; T211-I215 VanDerWaalsContact O-CG1 3.25Å; T211-I215 WeakPolarHBondContact O-CG1 3.26Å; T211-I215 PolarHBondContact O-N 3.34Å; T211-F231 HydrophobicContact CG2-CE1 4.43Å; T211-L362 HydrophobicContact CG2-CD2 4.33Å; T211-A365 PolarHBondContact N-O 2.89Å; T211-A365 VanDerWaalsContact OG1-CB 3.26Å; T211-A365 WeakPolarHBondContact OG1-CB 3.47Å; T211-A365 PolarHBondContact OG1-O 2.77Å; T211-N366 WeakPolarHBondContact CB-OD1 3.41Å; T211-N366 PolarHBondContact OG1-N 2.98Å; T211-N366 VanDerWaalsContact OG1-N 3.13Å; T211-N366 PolarHBondContact OG1-OD1 2.81Å
212	Y	87.9	Confident	80.7	Confident	6 Å²	6	39 Å²	39	2%	0.024	21%	0.214	C	C	.	.	H	α-helix	trans	-60.2	-45.7	179.4	168.7	-100.1	0	0	0	112.5	G210 I214 I215 S216 G224 A475 V476 D479 I481	G210-Y212 PolarHBondContact O-N 3.09Å; Y212-I214 VanDerWaalsContact C-N 3.32Å; Y212-I214 PolarHBondContact O-N 3.17Å; Y212-I215 PolarHBondContact O-N 3.46Å; Y212-S216 WeakPolarHBondContact O-CB 3.45Å; Y212-S216 PolarHBondContact O-N 2.93Å; Y212-S216 PolarHBondContact O-OG 3.37Å; Y212-G224 WeakPolarHBondContact CE2-O 3.47Å; Y212-A475 HydrophobicContact CD1-CB 3.45Å; Y212-A475 VanDerWaalsContact CD1-CB 3.45Å; Y212-A475 HydrophobicContact CE1-CB 3.98Å; Y212-A475 HydrophobicContact CG-CB 4.34Å; Y212-V476 HydrophobicContact CD1-CG2 4.25Å; Y212-V476 HydrophobicContact CD2-CG2 3.58Å; Y212-V476 HydrophobicContact CE1-CB 4.37Å; Y212-V476 HydrophobicContact CE1-CG2 4Å; Y212-V476 HydrophobicContact CE2-CB 4.17Å; Y212-V476 HydrophobicContact CE2-CG1 4.43Å; Y212-V476 HydrophobicContact CE2-CG2 3.28Å; Y212-V476 HydrophobicContact CG-CG2 4.04Å; Y212-V476 WeakPolarHBondContact OH-CA 3.23Å; Y212-D479 WeakPolarHBondContact CE1-OD2 3.36Å; Y212-D479 PolarHBondContact OH-OD2 3.47Å; Y212-I481 WeakPolarHBondContact OH-CD1 3.34Å
213	F	85.2	Confident	80.6	Confident	55 Å²	55	38.6 Å²	38.6	24%	0.241	21%	0.21	C	C	.	.	H	α-helix	trans	-64.7	-38.5	-179.6	-176.7	-90.7	0	0	0	111.9	R207 G209 G210 T211 S216 R217	R207-F213 HydrophobicContact CB-CE1 3.92Å; R207-F213 HydrophobicContact CB-CZ 4.4Å; G209-F213 VanDerWaalsContact CA-CB 3.45Å; G209-F213 WeakPolarHBondContact O-CB 3.45Å; G210-F213 PolarHBondContact O-N 2.91Å; T211-F213 PolarHBondContact O-N 3.25Å; F213-S216 PolarHBondContact O-OG 3.38Å; F213-R217 HydrophobicContact CD1-CG 4.24Å; F213-R217 HydrophobicContact CD2-CG 4.32Å; F213-R217 HydrophobicContact CE1-CG 3.99Å; F213-R217 HydrophobicContact CE2-CG 4.11Å; F213-R217 HydrophobicContact CG-CG 4.39Å; F213-R217 HydrophobicContact CZ-CG 3.93Å; F213-R217 WeakPolarHBondContact O-CB 3.08Å; F213-R217 WeakPolarHBondContact O-CG 3.13Å; F213-R217 PolarHBondContact O-N 3.15Å
214	I	85.1	Confident	80.6	Confident	7 Å²	7	37.6 Å²	37.6	4%	0.036	21%	0.205	C	C	.	.	H	α-helix	trans	-62.8	-46.6	175.4	-66.8	165.2	0	0	0	110.4	I200 I206 G210 T211 Y212 S218 I378	I200-I214 HydrophobicContact CG2-CG2 3.67Å; I206-I214 HydrophobicContact CD1-CD1 4.19Å; I206-I214 HydrophobicContact CG1-CD1 4.38Å; I206-I214 HydrophobicContact CG1-CG1 4.26Å; I206-I214 HydrophobicContact CG2-CD1 3.73Å; I206-I214 HydrophobicContact CG2-CG1 3.67Å; G210-I214 WeakPolarHBondContact O-CG1 3.31Å; G210-I214 PolarHBondContact O-N 3.44Å; G210-I214 VanDerWaalsContact O-N 3.14Å; T211-I214 PolarHBondContact O-N 2.72Å; Y212-I214 VanDerWaalsContact C-N 3.32Å; Y212-I214 PolarHBondContact O-N 3.17Å; I214-S218 WeakPolarHBondContact O-CB 3.1Å; I214-S218 PolarHBondContact O-N 3.27Å; I214-S218 PolarHBondContact O-OG 3.25Å; I214-I378 HydrophobicContact CD1-CD1 4.27Å
215	I	86.5	Confident	81	Confident	4 Å²	4	35.3 Å²	35.3	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-65.4	-49	-179	-67.9	172.4	0	0	0	110.8	M197 T211 Y212 R217 S218 L219 I227 I536	M197-I215 HydrophobicContact SD-CD1 4.47Å; M197-I215 HydrophobicContact SD-CG1 4.38Å; T211-I215 HydrophobicContact CG2-CD1 3.65Å; T211-I215 HydrophobicContact CG2-CG1 4.44Å; T211-I215 VanDerWaalsContact O-CG1 3.25Å; T211-I215 WeakPolarHBondContact O-CG1 3.26Å; T211-I215 PolarHBondContact O-N 3.34Å; Y212-I215 PolarHBondContact O-N 3.46Å; I215-R217 PolarHBondContact O-N 3.25Å; I215-S218 PolarHBondContact O-N 3.34Å; I215-L219 HydrophobicContact CG2-CD1 3.88Å; I215-L219 WeakPolarHBondContact O-CB 3.33Å; I215-L219 PolarHBondContact O-N 2.93Å; I215-I227 HydrophobicContact CD1-CG2 4.1Å; I215-I227 HydrophobicContact CG2-CB 4.32Å; I215-I227 HydrophobicContact CG2-CD1 3.79Å; I215-I227 HydrophobicContact CG2-CG2 4.18Å; I215-I536 HydrophobicContact CD1-CD1 4.21Å; I215-I536 HydrophobicContact CD1-CG1 4.3Å
216	S	86.6	Confident	81.7	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-67.7	-32.9	-174.8	69.6	0	0	0	0	113.6	Y212 F213 G220	Y212-S216 WeakPolarHBondContact O-CB 3.45Å; Y212-S216 PolarHBondContact O-N 2.93Å; Y212-S216 PolarHBondContact O-OG 3.37Å; F213-S216 PolarHBondContact O-OG 3.38Å; S216-G220 CarbonylContact O-C 3.38Å; S216-G220 WeakPolarHBondContact O-CA 3.23Å; S216-G220 PolarHBondContact O-N 2.73Å; S216-G220 VanDerWaalsContact O-N 3.09Å
217	R	84.5	Confident	82.6	Confident	97 Å²	97	25.5 Å²	25.5	37%	0.366	14%	0.138	S	C	.	.	H	α-helix	trans	-80.6	-26.5	178.6	-60.3	-62.9	166.7	149.1	-4.6	113.5	F213 I215 D479	F213-R217 HydrophobicContact CD1-CG 4.24Å; F213-R217 HydrophobicContact CD2-CG 4.32Å; F213-R217 HydrophobicContact CE1-CG 3.99Å; F213-R217 HydrophobicContact CE2-CG 4.11Å; F213-R217 HydrophobicContact CG-CG 4.39Å; F213-R217 HydrophobicContact CZ-CG 3.93Å; F213-R217 WeakPolarHBondContact O-CB 3.08Å; F213-R217 WeakPolarHBondContact O-CG 3.13Å; F213-R217 PolarHBondContact O-N 3.15Å; I215-R217 PolarHBondContact O-N 3.25Å; R217-D479 IonicContact NH2-OD1 2.8Å; R217-D479 PolarHBondContact NH2-OD1 2.99Å; R217-D479 VanDerWaalsContact NH2-OD1 3.1Å
218	S	82.7	Confident	83.7	Confident	19 Å²	19	16.4 Å²	16.4	13%	0.133	10%	0.104	C	C	.	.	H	α-helix	trans	-85.9	-33.6	177.1	-74.8	0	0	0	0	113.5	I200 N203 I214 I215	I200-S218 PolarHBondContact O-OG 2.86Å; N203-S218 PolarHBondContact ND2-OG 2.89Å; I214-S218 WeakPolarHBondContact O-CB 3.1Å; I214-S218 PolarHBondContact O-N 3.27Å; I214-S218 PolarHBondContact O-OG 3.25Å; I215-S218 PolarHBondContact O-N 3.34Å
219	L	81.4	Confident	85.2	Confident	11 Å²	11	14.7 Å²	14.7	6%	0.058	8%	0.08	C	C	.	.	H	α-helix	trans	-110	-11.3	-171.4	-60.6	170	0	0	0	113.9	I200 I215 F223 I227 A539 A543 F551	I200-L219 HydrophobicContact CD1-CD1 3.91Å; I215-L219 HydrophobicContact CG2-CD1 3.88Å; I215-L219 WeakPolarHBondContact O-CB 3.33Å; I215-L219 PolarHBondContact O-N 2.93Å; L219-F223 HydrophobicContact CB-CB 4.09Å; L219-I227 HydrophobicContact CD1-CD1 4.45Å; L219-A539 HydrophobicContact CB-CB 4.44Å; L219-A539 HydrophobicContact CD1-CB 3.56Å; L219-A539 HydrophobicContact CD2-CB 3.97Å; L219-A539 WeakPolarHBondContact CD2-O 3.38Å; L219-A539 HydrophobicContact CG-CB 4.19Å; L219-A543 HydrophobicContact CD2-CB 3.97Å; L219-F551 HydrophobicContact CD2-CD2 4.43Å; L219-F551 HydrophobicContact CD2-CE2 4.09Å
220	G	82	Confident	86.3	Confident	3 Å²	3	13.6 Å²	13.6	3%	0.031	7%	0.067	C	C	.	.			trans	93.3	172.8	-177.7	0	0	0	0	0	113.9	S216 D222 G224	S216-G220 CarbonylContact O-C 3.38Å; S216-G220 WeakPolarHBondContact O-CA 3.23Å; S216-G220 PolarHBondContact O-N 2.73Å; S216-G220 VanDerWaalsContact O-N 3.09Å; G220-D222 PolarHBondContact O-N 3.21Å; G220-G224 PolarHBondContact O-N 2.78Å
221	P	85	Confident	86.8	Confident	8 Å²	8	13.6 Å²	13.6	5%	0.052	6%	0.064	C	C	.	.	H	α-helix	trans	-69.6	-32.7	-170.6	26.5	-34.4	0	0	0	114.3	G225 I481 P601 V603 W605	P221-G225 PolarHBondContact O-N 3.33Å; P221-I481 HydrophobicContact CB-CD1 4.45Å; P221-P601 HydrophobicContact CB-CG 3.87Å; P221-P601 HydrophobicContact CG-CG 4.03Å; P221-V603 HydrophobicContact CB-CG2 3.67Å; P221-V603 HydrophobicContact CG-CG2 3.79Å; P221-W605 HydrophobicContact CB-CE3 3.7Å; P221-W605 HydrophobicContact CB-CZ3 3.74Å; P221-W605 HydrophobicContact CG-CE3 4.34Å
222	D	85.2	Confident	87.2	Confident	11 Å²	11	13.9 Å²	13.9	6%	0.059	7%	0.067	C	C	.	.	H	α-helix	trans	-69.5	-48	-174.2	-63.4	-18.1	0	0	0	111.4	G220 S226 Y593 L596	G220-D222 PolarHBondContact O-N 3.21Å; D222-S226 WeakPolarHBondContact O-CB 3.12Å; D222-S226 PolarHBondContact O-N 3.35Å; D222-S226 PolarHBondContact O-OG 2.79Å; D222-Y593 HydrophobicContact CB-CD2 4.13Å; D222-Y593 HydrophobicContact CB-CE2 3.79Å; D222-L596 WeakPolarHBondContact OD1-CB 3.18Å
223	F	86.7	Confident	87.3	Confident	12 Å²	12	15.7 Å²	15.7	5%	0.053	8%	0.079	C	C	.	.	H	α-helix	trans	-71.2	-47.8	172.7	-72.6	-66.1	0	0	0	111.8	L219 G225 S226 I227 Y538 A539 D542 Y593	L219-F223 HydrophobicContact CB-CB 4.09Å; F223-G225 PolarHBondContact O-N 2.65Å; F223-S226 PolarHBondContact O-N 2.94Å; F223-I227 HydrophobicContact CB-CD1 4.35Å; F223-I227 WeakPolarHBondContact O-CB 3.41Å; F223-I227 VanDerWaalsContact O-CG1 3.27Å; F223-I227 WeakPolarHBondContact O-CG1 3.43Å; F223-I227 PolarHBondContact O-N 3.46Å; F223-Y538 AromaticContact CE1-CD1 3.89Å; F223-Y538 HydrophobicContact CE1-CD1 3.89Å; F223-Y538 HydrophobicContact CE1-CE1 4.1Å; F223-Y538 HydrophobicContact CZ-CD1 4.17Å; F223-Y538 HydrophobicContact CZ-CE1 4.03Å; F223-A539 HydrophobicContact CB-CB 4.05Å; F223-A539 HydrophobicContact CD1-CB 3.62Å; F223-A539 HydrophobicContact CD2-CB 4.05Å; F223-A539 HydrophobicContact CE1-CB 4.02Å; F223-A539 HydrophobicContact CE2-CB 4.41Å; F223-A539 HydrophobicContact CG-CB 3.64Å; F223-A539 HydrophobicContact CZ-CB 4.4Å; F223-D542 HydrophobicContact CZ-CB 4.43Å; F223-Y593 HydrophobicContact CD1-CE2 4.47Å; F223-Y593 HydrophobicContact CE1-CE2 4.19Å; F223-Y593 HydrophobicContact CZ-CE2 4.22Å
224	G	87.5	Confident	87.7	Confident	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-57.4	-49	-177.7	0	0	0	0	0	112.8	Y212 G220 S226 G228	Y212-G224 WeakPolarHBondContact CE2-O 3.47Å; G220-G224 PolarHBondContact O-N 2.78Å; G224-S226 PolarHBondContact O-N 3.41Å; G224-G228 PolarHBondContact O-N 2.85Å
225	G	87.7	Confident	88	Confident	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.6	-43.4	178.8	0	0	0	0	0	113.2	P221 F223 I229	P221-G225 PolarHBondContact O-N 3.33Å; F223-G225 PolarHBondContact O-N 2.65Å; G225-I229 PolarHBondContact O-N 3.44Å
226	S	90.4	Very high	88.3	Confident	3 Å²	3	13 Å²	13	2%	0.021	7%	0.067	C	C	.	.	H	α-helix	trans	-67	-49.4	179.7	-54	0	0	0	0	111.7	D222 F223 G224 G228 I229 I230	D222-S226 WeakPolarHBondContact O-CB 3.12Å; D222-S226 PolarHBondContact O-N 3.35Å; D222-S226 PolarHBondContact O-OG 2.79Å; F223-S226 PolarHBondContact O-N 2.94Å; G224-S226 PolarHBondContact O-N 3.41Å; S226-G228 VanDerWaalsContact C-N 3.31Å; S226-G228 PolarHBondContact O-N 2.85Å; S226-I229 PolarHBondContact O-N 3.44Å; S226-I230 VanDerWaalsContact O-CD1 3.31Å; S226-I230 WeakPolarHBondContact O-CD1 3.36Å; S226-I230 WeakPolarHBondContact O-CG1 3.25Å; S226-I230 PolarHBondContact O-N 3.32Å
227	I	91.5	Very high	88.6	Confident	4 Å²	4	13.2 Å²	13.2	2%	0.021	7%	0.068	C	C	.	.	H	α-helix	trans	-60.5	-42.5	177.1	-66.3	165.7	0	0	0	110.5	I215 L219 F223 I229 I230 F231 L535 I536	I215-I227 HydrophobicContact CD1-CG2 4.1Å; I215-I227 HydrophobicContact CG2-CB 4.32Å; I215-I227 HydrophobicContact CG2-CD1 3.79Å; I215-I227 HydrophobicContact CG2-CG2 4.18Å; L219-I227 HydrophobicContact CD1-CD1 4.45Å; F223-I227 HydrophobicContact CB-CD1 4.35Å; F223-I227 WeakPolarHBondContact O-CB 3.41Å; F223-I227 VanDerWaalsContact O-CG1 3.27Å; F223-I227 WeakPolarHBondContact O-CG1 3.43Å; F223-I227 PolarHBondContact O-N 3.46Å; I227-I229 PolarHBondContact O-N 3.17Å; I227-I230 PolarHBondContact O-N 3.31Å; I227-F231 WeakPolarHBondContact O-CB 3.33Å; I227-F231 PolarHBondContact O-N 2.77Å; I227-L535 HydrophobicContact CD1-CB 4.12Å; I227-L535 HydrophobicContact CG1-CB 3.67Å; I227-L535 HydrophobicContact CG1-CD1 4.18Å; I227-I536 HydrophobicContact CD1-CG1 4.13Å; I227-I536 HydrophobicContact CG2-CD1 4.37Å; I227-I536 HydrophobicContact CG2-CG1 4.02Å
228	G	90.4	Very high	88.9	Confident	2 Å²	2	8.8 Å²	8.8	2%	0.021	5%	0.052	C	C	.	.	H	α-helix	trans	-59.7	-45	-179.4	0	0	0	0	0	113.8	G224 S226 A232 V472	G224-G228 PolarHBondContact O-N 2.85Å; S226-G228 VanDerWaalsContact C-N 3.31Å; S226-G228 PolarHBondContact O-N 2.85Å; G228-A232 WeakPolarHBondContact O-CB 3.37Å; G228-A232 PolarHBondContact O-N 2.96Å; G228-V472 VanDerWaalsContact O-CG1 3.23Å; G228-V472 WeakPolarHBondContact O-CG1 3.17Å
229	I	91.3	Very high	89.4	Confident	27 Å²	27	7.9 Å²	7.9	14%	0.138	5%	0.046	C	C	.	.	H	α-helix	trans	-65.5	-48	177.9	-70.2	-179.9	0	0	0	110.9	G225 S226 I227 F231 A232 V233 V476 F482 L592	G225-I229 PolarHBondContact O-N 3.44Å; S226-I229 PolarHBondContact O-N 3.44Å; I227-I229 PolarHBondContact O-N 3.17Å; I229-F231 VanDerWaalsContact C-N 3.32Å; I229-F231 PolarHBondContact O-N 2.98Å; I229-A232 PolarHBondContact O-N 3.44Å; I229-V233 WeakPolarHBondContact O-CG2 3.43Å; I229-V233 PolarHBondContact O-N 2.93Å; I229-V476 HydrophobicContact CG1-CG1 4.37Å; I229-F482 HydrophobicContact CD1-CD1 4.43Å; I229-F482 HydrophobicContact CD1-CD2 3.75Å; I229-F482 HydrophobicContact CD1-CE1 4.04Å; I229-F482 HydrophobicContact CD1-CE2 3.29Å; I229-F482 HydrophobicContact CD1-CG 4.3Å; I229-F482 HydrophobicContact CD1-CZ 3.44Å; I229-F482 VanDerWaalsContact CD1-CZ 3.44Å; I229-F482 HydrophobicContact CG1-CE2 4.12Å; I229-L592 HydrophobicContact CD1-CD2 4.28Å; I229-L592 HydrophobicContact CG2-CD1 4.4Å
230	I	91.9	Very high	89.9	Confident	6 Å²	6	7.3 Å²	7.3	3%	0.031	4%	0.043	C	C	.	.	H	α-helix	trans	-64.5	-41.7	-177	-64.1	159.7	0	0	0	110.4	S226 I227 V233 A234 L535 I589	S226-I230 VanDerWaalsContact O-CD1 3.31Å; S226-I230 WeakPolarHBondContact O-CD1 3.36Å; S226-I230 WeakPolarHBondContact O-CG1 3.25Å; S226-I230 PolarHBondContact O-N 3.32Å; I227-I230 PolarHBondContact O-N 3.31Å; I230-V233 PolarHBondContact O-N 3.15Å; I230-A234 WeakPolarHBondContact O-CB 3.34Å; I230-A234 PolarHBondContact O-N 3.46Å; I230-L535 HydrophobicContact CD1-CD1 3.52Å; I230-I589 HydrophobicContact CD1-CD1 3.97Å; I230-I589 HydrophobicContact CD1-CG1 3.42Å; I230-I589 VanDerWaalsContact CD1-CG1 3.42Å
231	F	90.3	Very high	90.4	Very high	8 Å²	8	7.3 Å²	7.3	4%	0.035	4%	0.042	C	C	.	.	H	α-helix	trans	-67.2	-35.6	177.6	-173.4	-116.3	0	0	0	112.6	T211 I227 I229 A234 N235 L362 V472 F529	T211-F231 HydrophobicContact CG2-CE1 4.43Å; I227-F231 WeakPolarHBondContact O-CB 3.33Å; I227-F231 PolarHBondContact O-N 2.77Å; I229-F231 VanDerWaalsContact C-N 3.32Å; I229-F231 PolarHBondContact O-N 2.98Å; F231-A234 PolarHBondContact O-N 3Å; F231-N235 WeakPolarHBondContact CE1-ND2 3.35Å; F231-N235 WeakPolarHBondContact CZ-ND2 3.44Å; F231-N235 PolarHBondContact O-N 3.44Å; F231-N235 PolarHBondContact O-ND2 2.7Å; F231-N235 VanDerWaalsContact O-ND2 3.14Å; F231-L362 HydrophobicContact CD2-CD1 4.27Å; F231-L362 HydrophobicContact CE2-CB 4.39Å; F231-L362 HydrophobicContact CE2-CD1 3.51Å; F231-L362 HydrophobicContact CZ-CB 3.99Å; F231-L362 HydrophobicContact CZ-CD1 3.84Å; F231-V472 HydrophobicContact CD1-CG1 4.23Å; F231-V472 HydrophobicContact CD1-CG2 3.83Å; F231-V472 HydrophobicContact CE1-CG2 3.97Å; F231-F529 HydrophobicContact CD2-CE1 4.28Å; F231-F529 HydrophobicContact CE2-CE1 4.01Å
232	A	90.9	Very high	90.7	Very high	8 Å²	8	7.3 Å²	7.3	7%	0.066	4%	0.041	C	C	.	.	H	α-helix	trans	-64.4	-42.6	173.3	0	0	0	0	0	111.8	G228 I229 A236 A469 V472 L473	G228-A232 WeakPolarHBondContact O-CB 3.37Å; G228-A232 PolarHBondContact O-N 2.96Å; I229-A232 PolarHBondContact O-N 3.44Å; A232-A236 PolarHBondContact O-N 3.46Å; A232-A236 VanDerWaalsContact O-N 3.09Å; A232-A469 VanDerWaalsContact O-CB 3.26Å; A232-A469 WeakPolarHBondContact O-CB 3.48Å; A232-V472 HydrophobicContact CB-CB 4.3Å; A232-V472 HydrophobicContact CB-CG1 3.99Å; A232-L473 HydrophobicContact CB-CB 4.36Å
233	V	91.4	Very high	91.1	Very high	45 Å²	45	6.9 Å²	6.9	27%	0.273	4%	0.039	S	C	.	.	H	α-helix	trans	-64.7	-46.7	175.1	175.1	0	0	0	0	110.6	I229 I230 N235 A236 V237 F528	I229-V233 WeakPolarHBondContact O-CG2 3.43Å; I229-V233 PolarHBondContact O-N 2.93Å; I230-V233 PolarHBondContact O-N 3.15Å; V233-N235 VanDerWaalsContact C-N 3.33Å; V233-N235 PolarHBondContact O-N 3.11Å; V233-A236 WeakPolarHBondContact O-CB 3.3Å; V233-A236 PolarHBondContact O-N 2.81Å; V233-V237 HydrophobicContact CG1-CG2 4.22Å; V233-V237 WeakPolarHBondContact O-CG2 3.38Å; V233-V237 PolarHBondContact O-N 2.99Å; V233-F528 HydrophobicContact CG1-CD2 4.46Å; V233-F528 HydrophobicContact CG1-CE1 4.27Å; V233-F528 HydrophobicContact CG1-CE2 4.19Å; V233-F528 HydrophobicContact CG1-CZ 4.11Å
234	A	92.3	Very high	91.3	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-55.8	-46.3	178.8	0	0	0	0	0	112.1	I230 F231 A236 V237 S238 F528 F529	I230-A234 WeakPolarHBondContact O-CB 3.34Å; I230-A234 PolarHBondContact O-N 3.46Å; F231-A234 PolarHBondContact O-N 3Å; A234-A236 PolarHBondContact O-N 2.82Å; A234-V237 PolarHBondContact O-N 3.45Å; A234-S238 VanDerWaalsContact O-CB 3.27Å; A234-S238 WeakPolarHBondContact O-CB 3.49Å; A234-S238 PolarHBondContact O-N 3.36Å; A234-F528 HydrophobicContact CB-CB 3.96Å; A234-F529 HydrophobicContact CB-CD1 3.95Å; A234-F529 HydrophobicContact CB-CD2 4.23Å; A234-F529 HydrophobicContact CB-CE1 3.79Å; A234-F529 HydrophobicContact CB-CE2 4.11Å; A234-F529 HydrophobicContact CB-CG 4.16Å; A234-F529 HydrophobicContact CB-CZ 3.88Å
235	N	91.4	Very high	91.5	Very high	8 Å²	8	6.4 Å²	6.4	4%	0.043	4%	0.037	C	C	.	.	H	α-helix	trans	-66	-35.8	176.3	-74	-38.2	0	0	0	112.7	F231 V233 S238 A239 S465 S468 A469	F231-N235 WeakPolarHBondContact CE1-ND2 3.35Å; F231-N235 WeakPolarHBondContact CZ-ND2 3.44Å; F231-N235 PolarHBondContact O-N 3.44Å; F231-N235 PolarHBondContact O-ND2 2.7Å; F231-N235 VanDerWaalsContact O-ND2 3.14Å; V233-N235 VanDerWaalsContact C-N 3.33Å; V233-N235 PolarHBondContact O-N 3.11Å; N235-S238 WeakPolarHBondContact O-CB 3.37Å; N235-S238 PolarHBondContact O-N 3.38Å; N235-A239 PolarHBondContact O-N 2.8Å; N235-A239 VanDerWaalsContact O-N 3.13Å; N235-S465 WeakPolarHBondContact O-CB 3.4Å; N235-S468 PolarHBondContact ND2-OG 2.91Å; N235-A469 HydrophobicContact CB-CB 3.78Å
236	A	92.9	Very high	91.7	Very high	1 Å²	1	7.7 Å²	7.7	1%	0.008	4%	0.043	C	C	.	.	H	α-helix	trans	-67.3	-40	177.2	0	0	0	0	0	112.4	A232 V233 A234 A469 T505 I508 T509	A232-A236 PolarHBondContact O-N 3.46Å; A232-A236 VanDerWaalsContact O-N 3.09Å; V233-A236 WeakPolarHBondContact O-CB 3.3Å; V233-A236 PolarHBondContact O-N 2.81Å; A234-A236 PolarHBondContact O-N 2.82Å; A236-A469 HydrophobicContact CB-CB 4.13Å; A236-T505 HydrophobicContact CB-CG2 3.94Å; A236-I508 HydrophobicContact CB-CB 4.22Å; A236-I508 HydrophobicContact CB-CD1 4.33Å; A236-I508 HydrophobicContact CB-CG2 3.88Å; A236-T509 PolarHBondContact O-OG1 3.13Å
237	V	92.9	Very high	91.9	Very high	4 Å²	4	7.5 Å²	7.5	2%	0.024	4%	0.042	C	C	.	.	H	α-helix	trans	-70.9	-35.9	174.4	-173.3	0	0	0	0	110.4	V233 A234 A239 A240 V241 I508 I512 I521 L524 I525	V233-V237 HydrophobicContact CG1-CG2 4.22Å; V233-V237 WeakPolarHBondContact O-CG2 3.38Å; V233-V237 PolarHBondContact O-N 2.99Å; A234-V237 PolarHBondContact O-N 3.45Å; V237-A239 PolarHBondContact O-N 2.85Å; V237-A240 VanDerWaalsContact O-CB 3.24Å; V237-A240 WeakPolarHBondContact O-CB 3.4Å; V237-A240 PolarHBondContact O-N 2.65Å; V237-V241 PolarHBondContact O-N 3.48Å; V237-I508 HydrophobicContact CG2-CG2 4.36Å; V237-I512 HydrophobicContact CG1-CD1 4.49Å; V237-I512 HydrophobicContact CG1-CG1 4.25Å; V237-I512 HydrophobicContact CG1-CG2 4.09Å; V237-I512 HydrophobicContact CG2-CG1 4.34Å; V237-I521 HydrophobicContact CG1-CG2 4.28Å; V237-L524 HydrophobicContact CG1-CD2 4.26Å; V237-I525 HydrophobicContact CB-CG1 3.99Å; V237-I525 HydrophobicContact CG1-CD1 3.93Å; V237-I525 HydrophobicContact CG1-CG1 3.3Å
238	S	91.8	Very high	91.8	Very high	4 Å²	4	8.5 Å²	8.5	3%	0.028	5%	0.047	C	C	.	.	H	α-helix	trans	-59.1	-42	175.9	-175.1	0	0	0	0	113.1	A234 N235 A240 V241 Y242	A234-S238 VanDerWaalsContact O-CB 3.27Å; A234-S238 WeakPolarHBondContact O-CB 3.49Å; A234-S238 PolarHBondContact O-N 3.36Å; N235-S238 WeakPolarHBondContact O-CB 3.37Å; N235-S238 PolarHBondContact O-N 3.38Å; S238-A240 PolarHBondContact O-N 2.92Å; S238-V241 PolarHBondContact O-N 3.47Å; S238-V241 VanDerWaalsContact O-N 3.14Å; S238-Y242 WeakPolarHBondContact O-CD2 2.82Å; S238-Y242 PolarHBondContact O-N 3.3Å; S238-Y242 WeakPolarHBondContact OG-CE2 3.47Å
239	A	92.1	Very high	91.9	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-56.7	-33.6	173.5	0	0	0	0	0	112.7	N235 V237 L243 T509	N235-A239 PolarHBondContact O-N 2.8Å; N235-A239 VanDerWaalsContact O-N 3.13Å; V237-A239 PolarHBondContact O-N 2.85Å; A239-L243 WeakPolarHBondContact O-CB 3.46Å; A239-L243 WeakPolarHBondContact O-CG 3.19Å; A239-L243 PolarHBondContact O-N 2.94Å; A239-L243 VanDerWaalsContact O-N 3.11Å; A239-T509 HydrophobicContact CB-CG2 4.15Å
240	A	92.7	Very high	92	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-68	-39.5	178.4	0	0	0	0	0	112.5	V237 S238 L243 A244 T509 I512 I513	V237-A240 VanDerWaalsContact O-CB 3.24Å; V237-A240 WeakPolarHBondContact O-CB 3.4Å; V237-A240 PolarHBondContact O-N 2.65Å; S238-A240 PolarHBondContact O-N 2.92Å; A240-L243 PolarHBondContact O-N 2.88Å; A240-A244 VanDerWaalsContact O-CB 3.31Å; A240-A244 WeakPolarHBondContact O-CB 3.44Å; A240-A244 PolarHBondContact O-N 3.11Å; A240-T509 HydrophobicContact CB-CG2 4.05Å; A240-I512 HydrophobicContact CB-CB 3.69Å; A240-I512 HydrophobicContact CB-CG2 3.51Å; A240-I513 HydrophobicContact CB-CG1 3.89Å
241	V	91.3	Very high	92	Very high	2 Å²	2	8.5 Å²	8.5	1%	0.012	5%	0.048	C	C	.	.	H	α-helix	trans	-69.9	-39	177.9	159.3	0	0	0	0	112.3	V161 M162 V237 S238 L243 A244 G245 I518 I521 I525	V161-V241 HydrophobicContact CG1-CG1 4.2Å; M162-V241 HydrophobicContact CE-CG1 3.75Å; V237-V241 PolarHBondContact O-N 3.48Å; S238-V241 PolarHBondContact O-N 3.47Å; S238-V241 VanDerWaalsContact O-N 3.14Å; V241-L243 VanDerWaalsContact C-N 3.33Å; V241-L243 PolarHBondContact O-N 2.83Å; V241-A244 PolarHBondContact O-N 2.9Å; V241-G245 PolarHBondContact O-N 3.01Å; V241-I518 HydrophobicContact CG1-CG2 4.5Å; V241-I521 HydrophobicContact CG2-CB 3.81Å; V241-I521 HydrophobicContact CG2-CG2 3.37Å; V241-I525 HydrophobicContact CB-CD1 3.62Å; V241-I525 HydrophobicContact CG1-CD1 4.44Å; V241-I525 HydrophobicContact CG2-CD1 3.2Å
242	Y	92	Very high	91.9	Very high	9 Å²	9	10.4 Å²	10.4	4%	0.035	6%	0.057	C	C	.	.	H	α-helix	trans	-65.1	-39.1	175.6	-61.5	-49.5	0	0	0	112.1	V161 S238 G245 F246 S461 S465	V161-Y242 HydrophobicContact CG1-CD1 4.14Å; S238-Y242 WeakPolarHBondContact O-CD2 2.82Å; S238-Y242 PolarHBondContact O-N 3.3Å; S238-Y242 WeakPolarHBondContact OG-CE2 3.47Å; Y242-G245 PolarHBondContact O-N 3.15Å; Y242-F246 PolarHBondContact O-N 3.4Å; Y242-S461 VanDerWaalsContact CD2-C 3.43Å; Y242-S461 WeakPolarHBondContact CD2-O 3.3Å; Y242-S465 WeakPolarHBondContact CE2-OG 3.41Å
243	L	93.3	Very high	91.9	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.01	7%	0.067	C	C	.	.	H	α-helix	trans	-69.6	-39.6	175.2	-75.4	178	0	0	0	113.1	A239 A240 V241 G245 F246 A247 A277 L280 A462 T509 I513	A239-L243 WeakPolarHBondContact O-CB 3.46Å; A239-L243 WeakPolarHBondContact O-CG 3.19Å; A239-L243 PolarHBondContact O-N 2.94Å; A239-L243 VanDerWaalsContact O-N 3.11Å; A240-L243 PolarHBondContact O-N 2.88Å; V241-L243 VanDerWaalsContact C-N 3.33Å; V241-L243 PolarHBondContact O-N 2.83Å; L243-G245 VanDerWaalsContact C-N 3.3Å; L243-G245 PolarHBondContact O-N 2.86Å; L243-F246 PolarHBondContact O-N 2.91Å; L243-A247 WeakPolarHBondContact O-CB 3.41Å; L243-A247 PolarHBondContact O-N 3Å; L243-A277 HydrophobicContact CD1-CB 3.72Å; L243-L280 HydrophobicContact CD1-CD1 4.35Å; L243-L280 HydrophobicContact CD2-CD1 3.53Å; L243-L280 HydrophobicContact CD2-CG 4.34Å; L243-L280 HydrophobicContact CG-CD1 4.21Å; L243-A462 HydrophobicContact CD2-CB 4.17Å; L243-A462 HydrophobicContact CG-CB 4.11Å; L243-T509 HydrophobicContact CD1-CG2 3.84Å; L243-I513 HydrophobicContact CB-CD1 3.81Å; L243-I513 HydrophobicContact CD1-CD1 3.81Å; L243-I513 HydrophobicContact CG-CD1 4.49Å
244	A	91.9	Very high	91.9	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.008	6%	0.064	C	C	.	.	H	α-helix	trans	-62.3	-40.2	173.1	0	0	0	0	0	111.1	A240 V241 A247 D248 I518	A240-A244 VanDerWaalsContact O-CB 3.31Å; A240-A244 WeakPolarHBondContact O-CB 3.44Å; A240-A244 PolarHBondContact O-N 3.11Å; V241-A244 PolarHBondContact O-N 2.9Å; A244-A247 PolarHBondContact O-N 3Å; A244-D248 WeakPolarHBondContact O-CB 3.28Å; A244-D248 PolarHBondContact O-N 3.06Å; A244-I518 HydrophobicContact CB-CD1 4.43Å; A244-I518 HydrophobicContact CB-CG1 3.83Å
245	G	90.5	Very high	91.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.2	-41.5	173.4	0	0	0	0	0	114.5	V241 Y242 L243 T249	V241-G245 PolarHBondContact O-N 3.01Å; Y242-G245 PolarHBondContact O-N 3.15Å; L243-G245 VanDerWaalsContact C-N 3.3Å; L243-G245 PolarHBondContact O-N 2.86Å; G245-T249 PolarHBondContact O-N 2.84Å; G245-T249 VanDerWaalsContact O-N 3.17Å; G245-T249 PolarHBondContact O-OG1 3.38Å
246	F	93.3	Very high	91.4	Very high	27 Å²	27	20 Å²	20	12%	0.118	11%	0.108	C	C	.	.	H	α-helix	trans	-61.5	-47.2	172	177.7	-93.3	0	0	0	110.8	Y242 L243 D248 T249 V250 T276 F455 T458 L459	Y242-F246 PolarHBondContact O-N 3.4Å; L243-F246 PolarHBondContact O-N 2.91Å; F246-D248 PolarHBondContact O-N 2.99Å; F246-T249 PolarHBondContact O-N 3.12Å; F246-V250 HydrophobicContact CD1-CG2 3.98Å; F246-V250 HydrophobicContact CE1-CG2 3.47Å; F246-V250 VanDerWaalsContact CE1-CG2 3.47Å; F246-V250 HydrophobicContact CE2-CG2 4.21Å; F246-V250 HydrophobicContact CZ-CG2 3.62Å; F246-V250 WeakPolarHBondContact O-CG2 3.4Å; F246-V250 PolarHBondContact O-N 3.31Å; F246-T276 HydrophobicContact CD1-CG2 3.59Å; F246-T276 HydrophobicContact CE1-CG2 3.34Å; F246-T276 HydrophobicContact CZ-CG2 4.43Å; F246-F455 HydrophobicContact CD2-CB 4.34Å; F246-F455 AromaticContact CD2-CD1 3.58Å; F246-F455 HydrophobicContact CD2-CD1 3.58Å; F246-F455 HydrophobicContact CD2-CE1 4.21Å; F246-F455 HydrophobicContact CD2-CG 4.2Å; F246-F455 HydrophobicContact CE2-CB 3.99Å; F246-F455 AromaticContact CE2-CD1 3.39Å; F246-F455 HydrophobicContact CE2-CD1 3.39Å; F246-F455 HydrophobicContact CE2-CD2 4.46Å; F246-F455 AromaticContact CE2-CE1 3.92Å; F246-F455 HydrophobicContact CE2-CE1 3.92Å; F246-F455 AromaticContact CE2-CG 3.7Å; F246-F455 HydrophobicContact CE2-CG 3.7Å; F246-F455 HydrophobicContact CZ-CD1 4.35Å; F246-F455 HydrophobicContact CZ-CE1 4.5Å; F246-T458 HydrophobicContact CB-CG2 4.39Å; F246-L459 HydrophobicContact CD2-CD1 4.22Å; F246-L459 HydrophobicContact CD2-CD2 4.03Å; F246-L459 HydrophobicContact CD2-CG 3.84Å; F246-L459 HydrophobicContact CE2-CD1 3.79Å; F246-L459 HydrophobicContact CE2-CD2 4.16Å; F246-L459 HydrophobicContact CE2-CG 3.94Å; F246-L459 HydrophobicContact CG-CD2 4.3Å; F246-L459 HydrophobicContact CZ-CD1 4.45Å
247	A	93.3	Very high	91.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.9	-39.6	-179.8	0	0	0	0	0	112.9	L243 A244 T249 V250 L251 I269 I272	L243-A247 WeakPolarHBondContact O-CB 3.41Å; L243-A247 PolarHBondContact O-N 3Å; A244-A247 PolarHBondContact O-N 3Å; A247-T249 VanDerWaalsContact C-N 3.34Å; A247-V250 PolarHBondContact O-N 3.13Å; A247-L251 WeakPolarHBondContact O-CB 3.41Å; A247-L251 PolarHBondContact O-N 3.5Å; A247-I269 HydrophobicContact CB-CG2 3.89Å; A247-I269 WeakPolarHBondContact CB-O 3.38Å; A247-I272 HydrophobicContact CB-CB 3.88Å; A247-I272 HydrophobicContact CB-CG2 3.74Å
248	D	90.6	Very high	90.9	Very high	25 Å²	25	33.4 Å²	33.4	13%	0.134	18%	0.175	C	C	.	.	H	α-helix	trans	-59.5	-45	173.9	-163.8	36.6	0	0	0	111	A244 F246 L251 E252 I518	A244-D248 WeakPolarHBondContact O-CB 3.28Å; A244-D248 PolarHBondContact O-N 3.06Å; F246-D248 PolarHBondContact O-N 2.99Å; D248-L251 PolarHBondContact O-N 3.31Å; D248-E252 PolarHBondContact O-N 3.25Å; D248-I518 HydrophobicContact CB-CD1 4.15Å
249	T	92.1	Very high	90.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-67.7	-40.1	177.9	-49.5	0	0	0	0	112.7	G245 F246 A247 L251 E252 V253 T451 V454 F455	G245-T249 PolarHBondContact O-N 2.84Å; G245-T249 VanDerWaalsContact O-N 3.17Å; G245-T249 PolarHBondContact O-OG1 3.38Å; F246-T249 PolarHBondContact O-N 3.12Å; A247-T249 VanDerWaalsContact C-N 3.34Å; T249-L251 VanDerWaalsContact C-N 3.34Å; T249-E252 PolarHBondContact O-N 3.45Å; T249-V253 WeakPolarHBondContact O-CG2 3.39Å; T249-V253 PolarHBondContact O-N 2.83Å; T249-V253 VanDerWaalsContact O-N 3.09Å; T249-T451 HydrophobicContact CG2-CG2 3.95Å; T249-V454 HydrophobicContact CG2-CB 4.24Å; T249-V454 HydrophobicContact CG2-CG1 3.82Å; T249-V454 VanDerWaalsContact OG1-CG1 3.27Å; T249-V454 WeakPolarHBondContact OG1-CG1 3.47Å; T249-F455 HydrophobicContact CG2-CD1 4.14Å; T249-F455 HydrophobicContact CG2-CE1 3.58Å; T249-F455 HydrophobicContact CG2-CZ 4.32Å
250	V	93.3	Very high	90.5	Very high	31 Å²	31	44.6 Å²	44.6	19%	0.188	23%	0.225	C	C	.	.	H	α-helix	trans	-64	-42.7	175.2	172.5	0	0	0	0	110.7	F246 A247 E252 V253 M254 I272 F455	F246-V250 HydrophobicContact CD1-CG2 3.98Å; F246-V250 HydrophobicContact CE1-CG2 3.47Å; F246-V250 VanDerWaalsContact CE1-CG2 3.47Å; F246-V250 HydrophobicContact CE2-CG2 4.21Å; F246-V250 HydrophobicContact CZ-CG2 3.62Å; F246-V250 WeakPolarHBondContact O-CG2 3.4Å; F246-V250 PolarHBondContact O-N 3.31Å; A247-V250 PolarHBondContact O-N 3.13Å; V250-E252 VanDerWaalsContact C-N 3.3Å; V250-E252 PolarHBondContact O-N 2.7Å; V250-V253 PolarHBondContact O-N 3.4Å; V250-M254 HydrophobicContact CG1-CG 4.36Å; V250-M254 HydrophobicContact CG1-SD 4.07Å; V250-M254 VanDerWaalsContact O-CG 3.27Å; V250-M254 WeakPolarHBondContact O-CG 3.37Å; V250-M254 PolarHBondContact O-N 2.91Å; V250-I272 HydrophobicContact CB-CD1 4.43Å; V250-I272 HydrophobicContact CB-CG2 4.21Å; V250-I272 HydrophobicContact CG1-CD1 4.01Å; V250-I272 HydrophobicContact CG1-CG2 4.22Å; V250-F455 HydrophobicContact CG2-CE1 3.71Å; V250-F455 HydrophobicContact CG2-CZ 3.91Å
251	L	91.8	Very high	90.2	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.016	25%	0.246	C	C	.	.	H	α-helix	trans	-59.8	-42.2	177.1	177.7	61.9	0	0	0	111.4	A247 D248 T249 M254 K255 G265 D268 I269 I272	A247-L251 WeakPolarHBondContact O-CB 3.41Å; A247-L251 PolarHBondContact O-N 3.5Å; D248-L251 PolarHBondContact O-N 3.31Å; T249-L251 VanDerWaalsContact C-N 3.34Å; L251-M254 WeakPolarHBondContact O-CB 3.42Å; L251-M254 PolarHBondContact O-N 2.82Å; L251-K255 HydrophobicContact CG-CD 4.45Å; L251-K255 WeakPolarHBondContact O-CG 3.16Å; L251-K255 PolarHBondContact O-N 2.97Å; L251-G265 WeakPolarHBondContact CD2-O 3.46Å; L251-D268 HydrophobicContact CD1-CB 3.78Å; L251-D268 HydrophobicContact CD2-CB 4.47Å; L251-I269 HydrophobicContact CD2-CD1 4.15Å; L251-I269 HydrophobicContact CD2-CG1 3.65Å; L251-I272 HydrophobicContact CB-CD1 4.48Å
252	E	88.5	Confident	89.9	Confident	49 Å²	49	52.4 Å²	52.4	23%	0.229	27%	0.269	C	S	.	.	H	α-helix	trans	-64.9	-42	178.2	-169.3	57.9	-156.7	0	0	112.2	D248 T249 V250 M254 K255 S256 Y436	D248-E252 PolarHBondContact O-N 3.25Å; T249-E252 PolarHBondContact O-N 3.45Å; V250-E252 VanDerWaalsContact C-N 3.3Å; V250-E252 PolarHBondContact O-N 2.7Å; E252-M254 VanDerWaalsContact C-N 3.29Å; E252-M254 PolarHBondContact O-N 2.94Å; E252-K255 WeakPolarHBondContact O-CB 3.37Å; E252-K255 PolarHBondContact O-N 2.8Å; E252-S256 PolarHBondContact O-N 3.4Å; E252-Y436 HydrophobicContact CG-CE2 4.48Å; E252-Y436 WeakPolarHBondContact OE1-CE2 3.5Å
253	V	91	Very high	89.6	Confident	47 Å²	47	55.7 Å²	55.7	29%	0.285	29%	0.287	S	S	.	.	H	α-helix	trans	-60.4	-41.2	172.1	174.2	0	0	0	0	110.8	T249 V250 S256 H257 T451	T249-V253 WeakPolarHBondContact O-CG2 3.39Å; T249-V253 PolarHBondContact O-N 2.83Å; T249-V253 VanDerWaalsContact O-N 3.09Å; V250-V253 PolarHBondContact O-N 3.4Å; V253-S256 PolarHBondContact O-N 3.46Å; V253-S256 PolarHBondContact O-OG 3.13Å; V253-H257 PolarHBondContact O-CD2 2.99Å; V253-H257 VanDerWaalsContact O-CD2 3.31Å; V253-H257 PolarHBondContact O-N 3.07Å; V253-T451 HydrophobicContact CG2-CG2 3.7Å
254	M	91.4	Very high	88.9	Confident	43 Å²	43	56.3 Å²	56.3	21%	0.212	29%	0.294	C	S	.	.	H	α-helix	trans	-64	-41	176.8	-71.8	-179.7	64.4	0	0	112.5	V250 L251 E252 H257 N258 T259 I261 I272	V250-M254 HydrophobicContact CG1-CG 4.36Å; V250-M254 HydrophobicContact CG1-SD 4.07Å; V250-M254 VanDerWaalsContact O-CG 3.27Å; V250-M254 WeakPolarHBondContact O-CG 3.37Å; V250-M254 PolarHBondContact O-N 2.91Å; L251-M254 WeakPolarHBondContact O-CB 3.42Å; L251-M254 PolarHBondContact O-N 2.82Å; E252-M254 VanDerWaalsContact C-N 3.29Å; E252-M254 PolarHBondContact O-N 2.94Å; M254-H257 CarbonylContact O-C 3.46Å; M254-H257 PolarHBondContact O-N 3.38Å; M254-N258 PolarHBondContact O-N 3.36Å; M254-T259 CarbonylContact C-O 3.51Å; M254-T259 VanDerWaalsContact C-O 3.3Å; M254-T259 WeakPolarHBondContact CA-OG1 3.49Å; M254-T259 WeakPolarHBondContact CB-OG1 3.18Å; M254-T259 PolarHBondContact O-N 3.21Å; M254-T259 VanDerWaalsContact O-O 3.13Å; M254-T259 PolarHBondContact O-OG1 3.24Å; M254-I261 HydrophobicContact CE-CD1 4.13Å; M254-I261 HydrophobicContact CE-CG1 3.6Å; M254-I261 HydrophobicContact SD-CD1 4.46Å; M254-I272 HydrophobicContact SD-CD1 4.16Å
255	K	87.9	Confident	88.6	Confident	90 Å²	90	57.3 Å²	57.3	39%	0.391	31%	0.305	S	S	.	.	H	α-helix	trans	-62.3	-40.9	174.5	-75	174.1	178.9	173.9	0	112.1	L251 E252 H257 N258 G264	L251-K255 HydrophobicContact CG-CD 4.45Å; L251-K255 WeakPolarHBondContact O-CG 3.16Å; L251-K255 PolarHBondContact O-N 2.97Å; E252-K255 WeakPolarHBondContact O-CB 3.37Å; E252-K255 PolarHBondContact O-N 2.8Å; K255-H257 PolarHBondContact O-N 3.38Å; K255-H257 VanDerWaalsContact O-N 3.16Å; K255-N258 PolarHBondContact O-N 2.84Å; K255-G264 WeakPolarHBondContact CE-O 3.37Å; K255-G264 PolarHBondContact NZ-O 3.19Å
256	S	85.2	Confident	88.5	Confident	81 Å²	81	60.4 Å²	60.4	57%	0.566	32%	0.323	S	S	*	.	H	α-helix	trans	-60	-26.4	176.6	80.6	0	0	0	0	112.9	E252 V253	E252-S256 PolarHBondContact O-N 3.4Å; V253-S256 PolarHBondContact O-N 3.46Å; V253-S256 PolarHBondContact O-OG 3.13Å
257	H	89.2	Confident	88.5	Confident	136 Å²	136	62.1 Å²	62.1	63%	0.63	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	12.5	174.9	-70.9	-65.8	0	0	0	113.9	V253 M254 K255 T259	V253-H257 PolarHBondContact O-CD2 2.99Å; V253-H257 VanDerWaalsContact O-CD2 3.31Å; V253-H257 PolarHBondContact O-N 3.07Å; M254-H257 CarbonylContact O-C 3.46Å; M254-H257 PolarHBondContact O-N 3.38Å; K255-H257 PolarHBondContact O-N 3.38Å; K255-H257 VanDerWaalsContact O-N 3.16Å; H257-T259 VanDerWaalsContact C-N 3.27Å; H257-T259 PolarHBondContact O-N 2.98Å
258	N	85	Confident	88.4	Confident	152 Å²	152	62.1 Å²	62.1	81%	0.813	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	36.9	-176.7	-66.4	-44.4	0	0	0	113.9	M254 K255	M254-N258 PolarHBondContact O-N 3.36Å; K255-N258 PolarHBondContact O-N 2.84Å
259	T	88.3	Confident	88.5	Confident	68 Å²	68	61.7 Å²	61.7	42%	0.417	33%	0.331	S	S	.	.			trans	-117	138.1	177.1	59.8	0	0	0	0	111.1	M254 H257	M254-T259 CarbonylContact C-O 3.51Å; M254-T259 VanDerWaalsContact C-O 3.3Å; M254-T259 WeakPolarHBondContact CA-OG1 3.49Å; M254-T259 WeakPolarHBondContact CB-OG1 3.18Å; M254-T259 PolarHBondContact O-N 3.21Å; M254-T259 VanDerWaalsContact O-O 3.13Å; M254-T259 PolarHBondContact O-OG1 3.24Å; H257-T259 VanDerWaalsContact C-N 3.27Å; H257-T259 PolarHBondContact O-N 2.98Å
260	Y	86.8	Confident	88.6	Confident	171 Å²	171	65.2 Å²	65.2	67%	0.671	35%	0.345	S	S	*	.			trans	-139.4	153	174.5	54.9	-89	0	0	0	109.3
261	I	86.3	Confident	88.6	Confident	84 Å²	84	66.3 Å²	66.3	43%	0.431	35%	0.349	S	S	.	.	S	Bend	trans	-90	-54.4	-179	-54.2	176.8	0	0	0	109.3	M254 D268 I272	M254-I261 HydrophobicContact CE-CD1 4.13Å; M254-I261 HydrophobicContact CE-CG1 3.6Å; M254-I261 HydrophobicContact SD-CD1 4.46Å; I261-D268 PolarHBondContact N-OD2 2.96Å; I261-I272 HydrophobicContact CD1-CD1 4.22Å; I261-I272 HydrophobicContact CD1-CG1 3.98Å
262	V	87.1	Confident	88.7	Confident	82 Å²	82	66.9 Å²	66.9	50%	0.497	35%	0.351	S	S	.	.	S	Bend	trans	-122.7	-67.2	-179.7	-173.5	0	0	0	0	110.1	D268 I271	V262-D268 WeakPolarHBondContact CA-OD1 3.29Å; V262-D268 VanDerWaalsContact CB-OD1 3.28Å; V262-D268 WeakPolarHBondContact CB-OD1 3.45Å; V262-D268 PolarHBondContact N-OD1 2.9Å; V262-D268 PolarHBondContact N-OD2 3.45Å; V262-I271 HydrophobicContact CG2-CD1 3.65Å
263	D	84.8	Confident	88.9	Confident	78 Å²	78	64.5 Å²	64.5	42%	0.417	34%	0.341	S	S	.	.	S	Bend	trans	-127.2	-4.5	-170.3	62.2	2.9	0	0	0	114	G265 N267 D268	D263-G265 PolarHBondContact O-N 3.22Å; D263-G265 WeakPolarHBondContact OD1-CA 3.31Å; D263-G265 PolarHBondContact OD1-N 3.47Å; D263-N267 WeakPolarHBondContact OD2-CB 3.48Å; D263-N267 PolarHBondContact OD2-ND2 3.3Å; D263-D268 PolarHBondContact N-OD1 2.85Å
264	G	78.8	Confident	89.1	Confident	14 Å²	14	67.4 Å²	67.4	14%	0.144	35%	0.346	C	S	.	.	S	Bend	trans	65	19.3	-173.3	0	0	0	0	0	112.9	K255 D268	K255-G264 WeakPolarHBondContact CE-O 3.37Å; K255-G264 PolarHBondContact NZ-O 3.19Å; G264-D268 WeakPolarHBondContact CA-OD2 3.36Å; G264-D268 PolarHBondContact N-OD2 2.93Å
265	G	86	Confident	89.3	Confident	23 Å²	23	70.4 Å²	70.4	24%	0.237	36%	0.362	C	S	.	.	S	Bend	trans	-133	-139.9	-172.5	0	0	0	0	0	112.8	L251 D263 N267 D268 I269	L251-G265 WeakPolarHBondContact CD2-O 3.46Å; D263-G265 PolarHBondContact O-N 3.22Å; D263-G265 WeakPolarHBondContact OD1-CA 3.31Å; D263-G265 PolarHBondContact OD1-N 3.47Å; G265-N267 VanDerWaalsContact C-N 3.29Å; G265-N267 PolarHBondContact O-N 2.83Å; G265-D268 PolarHBondContact O-N 3.06Å; G265-I269 PolarHBondContact O-N 2.91Å
266	V	88.6	Confident	89.6	Confident	64 Å²	64	67 Å²	67	39%	0.388	35%	0.349	S	S	.	.	H	α-helix	trans	-65.2	-32.2	-172	-176.2	0	0	0	0	112.1	I269 R270	V266-I269 PolarHBondContact O-N 3.39Å; V266-R270 WeakPolarHBondContact O-CG 3.29Å; V266-R270 PolarHBondContact O-N 2.86Å; V266-R270 VanDerWaalsContact O-N 3.13Å
267	N	91.7	Very high	89.9	Confident	63 Å²	63	63.3 Å²	63.3	34%	0.337	32%	0.323	S	S	.	.	H	α-helix	trans	-70.5	-36.5	179.9	-66.8	-44.3	0	0	0	111.9	D263 G265 I269 R270 I271	D263-N267 WeakPolarHBondContact OD2-CB 3.48Å; D263-N267 PolarHBondContact OD2-ND2 3.3Å; G265-N267 VanDerWaalsContact C-N 3.29Å; G265-N267 PolarHBondContact O-N 2.83Å; N267-I269 VanDerWaalsContact C-N 3.35Å; N267-R270 WeakPolarHBondContact O-CB 3.21Å; N267-R270 PolarHBondContact O-N 3.44Å; N267-R270 PolarHBondContact OD1-NH1 2.8Å; N267-I271 WeakPolarHBondContact O-CG1 3.11Å; N267-I271 PolarHBondContact O-N 2.94Å
268	D	92.6	Very high	90.2	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-64.4	-40.5	174.8	-70.2	5.1	0	0	0	110.9	L251 I261 V262 D263 G264 G265 R270 I271 I272	L251-D268 HydrophobicContact CD1-CB 3.78Å; L251-D268 HydrophobicContact CD2-CB 4.47Å; I261-D268 PolarHBondContact N-OD2 2.96Å; V262-D268 WeakPolarHBondContact CA-OD1 3.29Å; V262-D268 VanDerWaalsContact CB-OD1 3.28Å; V262-D268 WeakPolarHBondContact CB-OD1 3.45Å; V262-D268 PolarHBondContact N-OD1 2.9Å; V262-D268 PolarHBondContact N-OD2 3.45Å; D263-D268 PolarHBondContact N-OD1 2.85Å; G264-D268 WeakPolarHBondContact CA-OD2 3.36Å; G264-D268 PolarHBondContact N-OD2 2.93Å; G265-D268 PolarHBondContact O-N 3.06Å; D268-R270 VanDerWaalsContact C-N 3.32Å; D268-R270 PolarHBondContact O-N 3.06Å; D268-I271 PolarHBondContact O-N 3.13Å; D268-I272 WeakPolarHBondContact O-CB 3.44Å; D268-I272 WeakPolarHBondContact O-CD1 3.48Å; D268-I272 VanDerWaalsContact O-CG1 3.24Å; D268-I272 WeakPolarHBondContact O-CG1 3.25Å; D268-I272 PolarHBondContact O-N 2.99Å
269	I	91.4	Very high	90.5	Very high	17 Å²	17	60.8 Å²	60.8	9%	0.087	31%	0.307	C	S	.	.	H	α-helix	trans	-58.1	-44.1	173.6	-61.2	176.1	0	0	0	111	A247 L251 G265 V266 N267 G273	A247-I269 HydrophobicContact CB-CG2 3.89Å; A247-I269 WeakPolarHBondContact CB-O 3.38Å; L251-I269 HydrophobicContact CD2-CD1 4.15Å; L251-I269 HydrophobicContact CD2-CG1 3.65Å; G265-I269 PolarHBondContact O-N 2.91Å; V266-I269 PolarHBondContact O-N 3.39Å; N267-I269 VanDerWaalsContact C-N 3.35Å; I269-G273 PolarHBondContact O-N 2.97Å
270	R	94.2	Very high	90.6	Very high	74 Å²	74	57.9 Å²	57.9	28%	0.279	29%	0.289	S	S	.	.	H	α-helix	trans	-62.5	-47	179	-68.8	166.2	179.5	162.8	-0.5	111.8	V266 N267 D268 G273 W274 A514 I515	V266-R270 WeakPolarHBondContact O-CG 3.29Å; V266-R270 PolarHBondContact O-N 2.86Å; V266-R270 VanDerWaalsContact O-N 3.13Å; N267-R270 WeakPolarHBondContact O-CB 3.21Å; N267-R270 PolarHBondContact O-N 3.44Å; N267-R270 PolarHBondContact OD1-NH1 2.8Å; D268-R270 VanDerWaalsContact C-N 3.32Å; D268-R270 PolarHBondContact O-N 3.06Å; R270-G273 PolarHBondContact O-N 2.93Å; R270-W274 PolarHBondContact O-N 3.27Å; R270-A514 PolarHBondContact NE-O 2.9Å; R270-A514 PolarHBondContact NH2-O 3.23Å; R270-I515 PolarHBondContact NH2-O 3.1Å
271	I	94.1	Very high	90.7	Very high	54 Å²	54	51.5 Å²	51.5	28%	0.277	27%	0.266	S	S	.	.	H	α-helix	trans	-63.9	-49.6	-178.5	-66.9	164.9	0	0	0	110.3	V262 N267 D268 G273 W274 I275	V262-I271 HydrophobicContact CG2-CD1 3.65Å; N267-I271 WeakPolarHBondContact O-CG1 3.11Å; N267-I271 PolarHBondContact O-N 2.94Å; D268-I271 PolarHBondContact O-N 3.13Å; I271-G273 VanDerWaalsContact C-N 3.31Å; I271-G273 PolarHBondContact O-N 3.49Å; I271-W274 PolarHBondContact O-N 3.45Å; I271-I275 HydrophobicContact CG2-CD1 3.86Å; I271-I275 WeakPolarHBondContact O-CG1 3.14Å; I271-I275 PolarHBondContact O-N 2.86Å
272	I	94.1	Very high	90.7	Very high	14 Å²	14	50.3 Å²	50.3	7%	0.072	27%	0.269	C	S	.	.	H	α-helix	trans	-62	-42.1	178.4	-63.3	163.8	0	0	0	110.1	A247 V250 L251 M254 I261 D268 W274 I275 T276	A247-I272 HydrophobicContact CB-CB 3.88Å; A247-I272 HydrophobicContact CB-CG2 3.74Å; V250-I272 HydrophobicContact CB-CD1 4.43Å; V250-I272 HydrophobicContact CB-CG2 4.21Å; V250-I272 HydrophobicContact CG1-CD1 4.01Å; V250-I272 HydrophobicContact CG1-CG2 4.22Å; L251-I272 HydrophobicContact CB-CD1 4.48Å; M254-I272 HydrophobicContact SD-CD1 4.16Å; I261-I272 HydrophobicContact CD1-CD1 4.22Å; I261-I272 HydrophobicContact CD1-CG1 3.98Å; D268-I272 WeakPolarHBondContact O-CB 3.44Å; D268-I272 WeakPolarHBondContact O-CD1 3.48Å; D268-I272 VanDerWaalsContact O-CG1 3.24Å; D268-I272 WeakPolarHBondContact O-CG1 3.25Å; D268-I272 PolarHBondContact O-N 2.99Å; I272-W274 VanDerWaalsContact C-N 3.35Å; I272-W274 PolarHBondContact O-N 3.5Å; I272-I275 PolarHBondContact O-N 3.26Å; I272-T276 HydrophobicContact CG2-CG2 4.26Å; I272-T276 WeakPolarHBondContact O-CB 3.12Å; I272-T276 WeakPolarHBondContact O-CG2 3.15Å; I272-T276 PolarHBondContact O-N 3.38Å; I272-T276 PolarHBondContact O-OG1 2.64Å
273	G	93.5	Very high	90.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.6	-39.5	176	0	0	0	0	0	113.4	I269 R270 I271 T276 A277	I269-G273 PolarHBondContact O-N 2.97Å; R270-G273 PolarHBondContact O-N 2.93Å; I271-G273 VanDerWaalsContact C-N 3.31Å; I271-G273 PolarHBondContact O-N 3.49Å; G273-T276 WeakPolarHBondContact CA-OG1 3.4Å; G273-T276 PolarHBondContact O-OG1 3.31Å; G273-A277 VanDerWaalsContact O-CB 3.28Å; G273-A277 WeakPolarHBondContact O-CB 3.5Å; G273-A277 PolarHBondContact O-N 3.42Å
274	W	94.6	Very high	90.6	Very high	108 Å²	108	44.3 Å²	44.3	41%	0.409	24%	0.235	S	C	.	.	H	α-helix	trans	-71.8	-43.4	176.5	-70	-12.8	0	0	0	113.2	R270 I271 I272 T276 A277 I278 V510 A514	R270-W274 PolarHBondContact O-N 3.27Å; I271-W274 PolarHBondContact O-N 3.45Å; I272-W274 VanDerWaalsContact C-N 3.35Å; I272-W274 PolarHBondContact O-N 3.5Å; W274-T276 VanDerWaalsContact C-N 3.28Å; W274-T276 PolarHBondContact O-N 2.83Å; W274-A277 PolarHBondContact O-N 2.91Å; W274-I278 WeakPolarHBondContact O-CG1 3.34Å; W274-I278 PolarHBondContact O-N 3.4Å; W274-V510 HydrophobicContact CG-CG1 4.46Å; W274-V510 PolarHBondContact NE1-O 3.39Å; W274-A514 HydrophobicContact CZ2-CB 4.24Å
275	I	94.9	Very high	90.6	Very high	106 Å²	106	47.2 Å²	47.2	54%	0.544	25%	0.253	S	S	.	.	H	α-helix	trans	-59.6	-45.1	177.7	-67.4	167.9	0	0	0	109.9	I271 I272 I278 F279	I271-I275 HydrophobicContact CG2-CD1 3.86Å; I271-I275 WeakPolarHBondContact O-CG1 3.14Å; I271-I275 PolarHBondContact O-N 2.86Å; I272-I275 PolarHBondContact O-N 3.26Å; I275-I278 PolarHBondContact O-N 3.43Å; I275-F279 PolarHBondContact O-N 3.4Å
276	T	93.5	Very high	90.2	Very high	18 Å²	18	50.3 Å²	50.3	11%	0.11	28%	0.276	C	S	.	.	H	α-helix	trans	-69.2	-37.8	179.3	53.7	0	0	0	0	112.3	F246 I272 G273 W274 I278 F279 L280	F246-T276 HydrophobicContact CD1-CG2 3.59Å; F246-T276 HydrophobicContact CE1-CG2 3.34Å; F246-T276 HydrophobicContact CZ-CG2 4.43Å; I272-T276 HydrophobicContact CG2-CG2 4.26Å; I272-T276 WeakPolarHBondContact O-CB 3.12Å; I272-T276 WeakPolarHBondContact O-CG2 3.15Å; I272-T276 PolarHBondContact O-N 3.38Å; I272-T276 PolarHBondContact O-OG1 2.64Å; G273-T276 WeakPolarHBondContact CA-OG1 3.4Å; G273-T276 PolarHBondContact O-OG1 3.31Å; W274-T276 VanDerWaalsContact C-N 3.28Å; W274-T276 PolarHBondContact O-N 2.83Å; T276-I278 VanDerWaalsContact C-N 3.33Å; T276-I278 PolarHBondContact O-N 2.62Å; T276-F279 PolarHBondContact O-N 2.87Å; T276-L280 WeakPolarHBondContact O-CG 3.46Å; T276-L280 PolarHBondContact O-N 2.88Å
277	A	93.4	Very high	89.3	Confident	3 Å²	3	48.3 Å²	48.3	3%	0.025	27%	0.268	C	S	.	.	H	α-helix	trans	-59	-42.9	172	0	0	0	0	0	112.2	L243 G273 W274 L280 L281 F506 V510 I513	L243-A277 HydrophobicContact CD1-CB 3.72Å; G273-A277 VanDerWaalsContact O-CB 3.28Å; G273-A277 WeakPolarHBondContact O-CB 3.5Å; G273-A277 PolarHBondContact O-N 3.42Å; W274-A277 PolarHBondContact O-N 2.91Å; A277-L280 PolarHBondContact O-N 3.06Å; A277-L281 WeakPolarHBondContact O-CB 3.49Å; A277-L281 PolarHBondContact O-N 2.77Å; A277-F506 HydrophobicContact CB-CD2 4.28Å; A277-F506 HydrophobicContact CB-CE2 3.81Å; A277-V510 HydrophobicContact CB-CG2 4.21Å; A277-I513 HydrophobicContact CB-CD1 4.4Å
278	I	93.8	Very high	88.2	Confident	101 Å²	101	46.9 Å²	46.9	52%	0.518	26%	0.26	S	S	.	.	H	α-helix	trans	-64.4	-43.3	177.8	-69.1	164.9	0	0	0	110.1	W274 I275 T276 L281 A282 F506	W274-I278 WeakPolarHBondContact O-CG1 3.34Å; W274-I278 PolarHBondContact O-N 3.4Å; I275-I278 PolarHBondContact O-N 3.43Å; T276-I278 VanDerWaalsContact C-N 3.33Å; T276-I278 PolarHBondContact O-N 2.62Å; I278-L281 PolarHBondContact O-N 3.02Å; I278-A282 PolarHBondContact O-N 3.22Å; I278-F506 HydrophobicContact CG1-CE2 3.92Å; I278-F506 HydrophobicContact CG1-CZ 3.67Å
279	F	91.6	Very high	87.3	Confident	134 Å²	134	53.4 Å²	53.4	59%	0.588	30%	0.295	S	S	*	.	H	α-helix	trans	-61.8	-47.3	176.1	179.6	-101.4	0	0	0	112	I275 T276 L281 A282 V283	I275-F279 PolarHBondContact O-N 3.4Å; T276-F279 PolarHBondContact O-N 2.87Å; F279-L281 VanDerWaalsContact C-N 3.32Å; F279-L281 PolarHBondContact O-N 2.75Å; F279-A282 WeakPolarHBondContact O-CB 3.22Å; F279-A282 PolarHBondContact O-N 2.9Å; F279-A282 VanDerWaalsContact O-N 3.12Å; F279-V283 HydrophobicContact CD1-CG2 4.23Å; F279-V283 HydrophobicContact CE1-CG2 3.82Å; F279-V283 HydrophobicContact CE2-CG2 4.42Å; F279-V283 HydrophobicContact CZ-CG2 3.92Å; F279-V283 WeakPolarHBondContact O-CG2 3.41Å; F279-V283 PolarHBondContact O-N 2.88Å
280	L	90	Very high	86.4	Confident	8 Å²	8	58.6 Å²	58.6	4%	0.042	32%	0.318	C	S	.	.	H	α-helix	trans	-62.1	-38.8	176.7	-72.9	-169.9	0	0	0	112.2	L243 T276 A277 A282 V283 V284 L459 A462 L463	L243-L280 HydrophobicContact CD1-CD1 4.35Å; L243-L280 HydrophobicContact CD2-CD1 3.53Å; L243-L280 HydrophobicContact CD2-CG 4.34Å; L243-L280 HydrophobicContact CG-CD1 4.21Å; T276-L280 WeakPolarHBondContact O-CG 3.46Å; T276-L280 PolarHBondContact O-N 2.88Å; A277-L280 PolarHBondContact O-N 3.06Å; L280-A282 VanDerWaalsContact C-N 3.3Å; L280-A282 PolarHBondContact O-N 2.83Å; L280-V283 PolarHBondContact O-N 3.46Å; L280-V284 WeakPolarHBondContact O-CB 3.4Å; L280-V284 VanDerWaalsContact O-CG2 3.27Å; L280-V284 WeakPolarHBondContact O-CG2 3.48Å; L280-V284 PolarHBondContact O-N 2.96Å; L280-L459 HydrophobicContact CD2-CD2 4.28Å; L280-A462 HydrophobicContact CD1-CB 3.53Å; L280-L463 HydrophobicContact CD2-CD1 4.13Å
281	L	89	Confident	85.4	Confident	36 Å²	36	56 Å²	56	19%	0.188	31%	0.309	C	S	.	.	H	α-helix	trans	-59.2	-43.1	174	179.9	64.4	0	0	0	111.3	A277 I278 F279 V284 C285 F506	A277-L281 WeakPolarHBondContact O-CB 3.49Å; A277-L281 PolarHBondContact O-N 2.77Å; I278-L281 PolarHBondContact O-N 3.02Å; F279-L281 VanDerWaalsContact C-N 3.32Å; F279-L281 PolarHBondContact O-N 2.75Å; L281-V284 PolarHBondContact O-N 3.11Å; L281-C285 WeakPolarHBondContact O-CB 3.48Å; L281-C285 PolarHBondContact O-N 3.36Å; L281-C285 PolarHBondContact O-SG 3.27Å; L281-F506 HydrophobicContact CB-CD2 4.06Å; L281-F506 HydrophobicContact CB-CE2 4.45Å; L281-F506 HydrophobicContact CD1-CB 4.33Å; L281-F506 HydrophobicContact CD2-CB 4.22Å; L281-F506 HydrophobicContact CD2-CD1 4.1Å; L281-F506 HydrophobicContact CD2-CD2 3.86Å; L281-F506 HydrophobicContact CD2-CE1 4.46Å; L281-F506 HydrophobicContact CD2-CE2 4.24Å; L281-F506 HydrophobicContact CD2-CG 3.79Å; L281-F506 HydrophobicContact CG-CD2 4.45Å
282	A	87.8	Confident	84.3	Confident	60 Å²	60	55.4 Å²	55.4	50%	0.496	31%	0.309	S	S	.	.	H	α-helix	trans	-63.2	-44	176.9	0	0	0	0	0	112.2	I278 F279 L280 V284 C285 A286	I278-A282 PolarHBondContact O-N 3.22Å; F279-A282 WeakPolarHBondContact O-CB 3.22Å; F279-A282 PolarHBondContact O-N 2.9Å; F279-A282 VanDerWaalsContact O-N 3.12Å; L280-A282 VanDerWaalsContact C-N 3.3Å; L280-A282 PolarHBondContact O-N 2.83Å; A282-V284 PolarHBondContact O-N 2.82Å; A282-C285 PolarHBondContact O-N 3.39Å; A282-A286 PolarHBondContact O-N 3.28Å; A282-A286 VanDerWaalsContact O-N 3.07Å
283	V	85.5	Confident	83.5	Confident	28 Å²	28	62 Å²	62	17%	0.17	34%	0.337	C	S	.	.	H	α-helix	trans	-60.2	-45.8	176.5	173.6	0	0	0	0	111.1	F279 L280 C285 A286 F290 L463	F279-V283 HydrophobicContact CD1-CG2 4.23Å; F279-V283 HydrophobicContact CE1-CG2 3.82Å; F279-V283 HydrophobicContact CE2-CG2 4.42Å; F279-V283 HydrophobicContact CZ-CG2 3.92Å; F279-V283 WeakPolarHBondContact O-CG2 3.41Å; F279-V283 PolarHBondContact O-N 2.88Å; L280-V283 PolarHBondContact O-N 3.46Å; V283-C285 VanDerWaalsContact C-N 3.33Å; V283-C285 PolarHBondContact O-N 3.12Å; V283-A286 PolarHBondContact O-N 2.92Å; V283-F290 HydrophobicContact CG1-CD1 3.98Å; V283-F290 HydrophobicContact CG1-CE1 4.12Å; V283-L463 HydrophobicContact CG1-CD1 3.97Å
284	V	83.3	Confident	82.8	Confident	5 Å²	5	63.1 Å²	63.1	3%	0.03	35%	0.346	C	S	.	.	H	α-helix	trans	-67.5	-34.8	-179.7	175	0	0	0	0	111.7	L280 L281 A282 A286 G287 L463 T466 V467 Y502	L280-V284 WeakPolarHBondContact O-CB 3.4Å; L280-V284 VanDerWaalsContact O-CG2 3.27Å; L280-V284 WeakPolarHBondContact O-CG2 3.48Å; L280-V284 PolarHBondContact O-N 2.96Å; L281-V284 PolarHBondContact O-N 3.11Å; A282-V284 PolarHBondContact O-N 2.82Å; V284-A286 VanDerWaalsContact C-N 3.34Å; V284-G287 PolarHBondContact O-N 3.34Å; V284-L463 HydrophobicContact CG2-CD1 3.56Å; V284-L463 HydrophobicContact CG2-CG 4.48Å; V284-T466 HydrophobicContact CG2-CG2 4.2Å; V284-V467 HydrophobicContact CG1-CG2 3.94Å; V284-V467 HydrophobicContact CG2-CG2 3.96Å; V284-Y502 HydrophobicContact CB-CE1 4.47Å; V284-Y502 HydrophobicContact CG1-CD1 3.55Å; V284-Y502 HydrophobicContact CG1-CD2 4.34Å; V284-Y502 HydrophobicContact CG1-CE1 3.09Å; V284-Y502 HydrophobicContact CG1-CE2 3.93Å; V284-Y502 HydrophobicContact CG1-CG 4.2Å
285	C	79.9	Confident	81.9	Confident	76 Å²	76	58.8 Å²	58.8	51%	0.514	33%	0.331	S	S	.	.	H	α-helix	trans	-69.9	-27.7	175.2	-70.4	0	0	0	0	113.4	L281 A282 V283 G287	L281-C285 WeakPolarHBondContact O-CB 3.48Å; L281-C285 PolarHBondContact O-N 3.36Å; L281-C285 PolarHBondContact O-SG 3.27Å; A282-C285 PolarHBondContact O-N 3.39Å; V283-C285 VanDerWaalsContact C-N 3.33Å; V283-C285 PolarHBondContact O-N 3.12Å; C285-G287 VanDerWaalsContact C-N 3.31Å; C285-G287 PolarHBondContact O-N 3.48Å
286	A	77.7	Confident	81.1	Confident	88 Å²	88	58.1 Å²	58.1	73%	0.727	33%	0.327	S	S	*	.	H	α-helix	trans	-69.7	-26.4	178.1	0	0	0	0	0	113.1	A282 V283 V284	A282-A286 PolarHBondContact O-N 3.28Å; A282-A286 VanDerWaalsContact O-N 3.07Å; V283-A286 PolarHBondContact O-N 2.92Å; V284-A286 VanDerWaalsContact C-N 3.34Å
287	G	69.6	Low	80.7	Confident	21 Å²	21	60.2 Å²	60.2	22%	0.216	35%	0.346	C	S	.	.			trans	137.4	146.6	165.1	0	0	0	0	0	115.6	V284 C285 N289 F290	V284-G287 PolarHBondContact O-N 3.34Å; C285-G287 VanDerWaalsContact C-N 3.31Å; C285-G287 PolarHBondContact O-N 3.48Å; G287-N289 VanDerWaalsContact C-N 3.28Å; G287-N289 PolarHBondContact O-N 2.77Å; G287-F290 PolarHBondContact O-N 2.78Å
288	L	68.2	Low	80.3	Confident	34 Å²	34	62.2 Å²	62.2	18%	0.178	36%	0.356	C	S	.	.	H	α-helix	trans	-62.3	-25.1	-176.8	-67.1	174.4	0	0	0	115.5	F290 E291 S292 V467 K471 E497	L288-F290 PolarHBondContact O-N 2.78Å; L288-E291 WeakPolarHBondContact O-CB 3.47Å; L288-E291 PolarHBondContact O-N 2.93Å; L288-E291 VanDerWaalsContact O-N 3.15Å; L288-S292 PolarHBondContact O-N 3.41Å; L288-V467 HydrophobicContact CD2-CB 4.47Å; L288-V467 HydrophobicContact CD2-CG1 3.54Å; L288-V467 HydrophobicContact CD2-CG2 4Å; L288-K471 VanDerWaalsContact CD1-CE 3.47Å; L288-K471 VanDerWaalsContact CD2-NZ 3.34Å; L288-E497 WeakPolarHBondContact CD1-OE1 3.45Å; L288-E497 WeakPolarHBondContact CD1-OE2 3.26Å; L288-E497 WeakPolarHBondContact CG-OE1 3.34Å
289	N	74	Confident	79.7	Confident	137 Å²	137	58.8 Å²	58.8	73%	0.733	34%	0.339	S	S	*	.	H	α-helix	trans	-62.6	-34.5	179.1	-71.5	-22.8	0	0	0	111.3	G287 S292	G287-N289 VanDerWaalsContact C-N 3.28Å; G287-N289 PolarHBondContact O-N 2.77Å; N289-S292 PolarHBondContact O-OG 2.58Å
290	F	72.3	Confident	79.6	Confident	126 Å²	126	56.2 Å²	56.2	55%	0.553	33%	0.334	S	S	*	.	H	α-helix	trans	-68.9	-41.3	175.5	-175.3	-98.8	0	0	0	111.1	V283 G287 L288 S292 K293 A294	V283-F290 HydrophobicContact CG1-CD1 3.98Å; V283-F290 HydrophobicContact CG1-CE1 4.12Å; G287-F290 PolarHBondContact O-N 2.78Å; L288-F290 PolarHBondContact O-N 2.78Å; F290-S292 PolarHBondContact O-N 2.94Å; F290-K293 PolarHBondContact O-N 2.66Å; F290-A294 HydrophobicContact CD1-CB 4.48Å; F290-A294 HydrophobicContact CE1-CB 4.27Å; F290-A294 WeakPolarHBondContact O-CB 3.31Å; F290-A294 PolarHBondContact O-N 3.06Å
291	E	73.4	Confident	79.7	Confident	20 Å²	20	58.2 Å²	58.2	9%	0.093	35%	0.346	C	S	.	.	H	α-helix	trans	-54.3	-50.5	176.7	174.6	-119	171.1	0	0	112	L288 K293 A294 Q295 L463 V467	L288-E291 WeakPolarHBondContact O-CB 3.47Å; L288-E291 PolarHBondContact O-N 2.93Å; L288-E291 VanDerWaalsContact O-N 3.15Å; E291-K293 VanDerWaalsContact C-N 3.28Å; E291-K293 PolarHBondContact O-N 2.93Å; E291-A294 PolarHBondContact O-N 3.44Å; E291-Q295 PolarHBondContact O-N 3.44Å; E291-Q295 PolarHBondContact OE1-NE2 2.95Å; E291-L463 HydrophobicContact CB-CD2 4Å; E291-L463 HydrophobicContact CG-CD2 3.48Å; E291-L463 VanDerWaalsContact CG-CD2 3.48Å; E291-L463 HydrophobicContact CG-CG 4Å; E291-V467 HydrophobicContact CG-CG2 4.48Å
292	S	70.4	Confident	79.7	Confident	41 Å²	41	56.6 Å²	56.6	29%	0.287	34%	0.338	S	S	.	.	H	α-helix	trans	-60.8	-34.7	-179.7	67.3	0	0	0	0	113.8	L288 N289 F290	L288-S292 PolarHBondContact O-N 3.41Å; N289-S292 PolarHBondContact O-OG 2.58Å; F290-S292 PolarHBondContact O-N 2.94Å
293	K	76.8	Confident	79.8	Confident	153 Å²	153	57.2 Å²	57.2	67%	0.665	34%	0.335	S	S	*	.	H	α-helix	trans	-77.2	-39.9	176.9	-68.2	-178.2	178.8	-176.2	0	111.6	F290 E291 I296 A297	F290-K293 PolarHBondContact O-N 2.66Å; E291-K293 VanDerWaalsContact C-N 3.28Å; E291-K293 PolarHBondContact O-N 2.93Å; K293-I296 PolarHBondContact O-N 2.7Å; K293-A297 PolarHBondContact O-N 3.34Å
294	A	78.2	Confident	80.2	Confident	23 Å²	23	59.7 Å²	59.7	19%	0.19	35%	0.347	C	S	.	.	H	α-helix	trans	-62.5	-42.2	177.8	0	0	0	0	0	111.3	F290 E291 I296 A297 L298	F290-A294 HydrophobicContact CD1-CB 4.48Å; F290-A294 HydrophobicContact CE1-CB 4.27Å; F290-A294 WeakPolarHBondContact O-CB 3.31Å; F290-A294 PolarHBondContact O-N 3.06Å; E291-A294 PolarHBondContact O-N 3.44Å; A294-I296 VanDerWaalsContact C-N 3.28Å; A294-I296 PolarHBondContact O-N 2.89Å; A294-A297 PolarHBondContact O-N 3.38Å; A294-A297 VanDerWaalsContact O-N 3.12Å; A294-L298 WeakPolarHBondContact O-CB 3.27Å; A294-L298 VanDerWaalsContact O-CG 3.32Å; A294-L298 WeakPolarHBondContact O-CG 3.48Å; A294-L298 PolarHBondContact O-N 3.27Å
295	Q	76.5	Confident	80.7	Confident	16 Å²	16	59.5 Å²	59.5	8%	0.075	35%	0.345	C	S	.	.	H	α-helix	trans	-58.6	-36.8	177	-79.9	175.1	-4.4	0	0	113.2	L156 E291 L299	L156-Q295 HydrophobicContact CD1-CB 4.49Å; E291-Q295 PolarHBondContact O-N 3.44Å; E291-Q295 PolarHBondContact OE1-NE2 2.95Å; Q295-L299 VanDerWaalsContact O-CB 3.32Å; Q295-L299 WeakPolarHBondContact O-CB 3.25Å; Q295-L299 PolarHBondContact O-N 3.32Å
296	I	78.8	Confident	81.2	Confident	93 Å²	93	56.7 Å²	56.7	48%	0.477	33%	0.325	S	S	.	.	H	α-helix	trans	-68.1	-41.8	176.7	-63.3	169.3	0	0	0	110.6	K293 A294 L299 V300	K293-I296 PolarHBondContact O-N 2.7Å; A294-I296 VanDerWaalsContact C-N 3.28Å; A294-I296 PolarHBondContact O-N 2.89Å; I296-L299 WeakPolarHBondContact O-CB 3.48Å; I296-L299 PolarHBondContact O-N 2.93Å; I296-V300 WeakPolarHBondContact O-CG2 3.44Å; I296-V300 PolarHBondContact O-N 2.63Å
297	A	84.4	Confident	81.9	Confident	61 Å²	61	57.2 Å²	57.2	50%	0.504	32%	0.315	S	S	.	.	H	α-helix	trans	-64.7	-44.2	176.4	0	0	0	0	0	111.6	K293 A294 L299 V300 V301	K293-A297 PolarHBondContact O-N 3.34Å; A294-A297 PolarHBondContact O-N 3.38Å; A294-A297 VanDerWaalsContact O-N 3.12Å; A297-L299 VanDerWaalsContact C-N 3.34Å; A297-L299 PolarHBondContact O-N 3.39Å; A297-V300 PolarHBondContact O-N 3.07Å; A297-V301 PolarHBondContact O-N 3.48Å
298	L	85.1	Confident	83.1	Confident	45 Å²	45	56.9 Å²	56.9	24%	0.236	31%	0.309	C	S	.	.	H	α-helix	trans	-62.5	-39.4	176.2	-69	-177.3	0	0	0	111.7	A294 V300 V301 L302 S456	A294-L298 WeakPolarHBondContact O-CB 3.27Å; A294-L298 VanDerWaalsContact O-CG 3.32Å; A294-L298 WeakPolarHBondContact O-CG 3.48Å; A294-L298 PolarHBondContact O-N 3.27Å; L298-V300 VanDerWaalsContact C-N 3.34Å; L298-V300 PolarHBondContact O-N 3.16Å; L298-V301 PolarHBondContact O-N 3.09Å; L298-L302 PolarHBondContact O-N 3.13Å; L298-S456 WeakPolarHBondContact CA-OG 3.29Å; L298-S456 WeakPolarHBondContact CB-OG 3.33Å; L298-S456 PolarHBondContact O-OG 2.97Å
299	L	82.1	Confident	84.4	Confident	30 Å²	30	55.3 Å²	55.3	16%	0.157	30%	0.3	C	S	.	.	H	α-helix	trans	-56	-46.1	173.9	175.9	67.4	0	0	0	112.8	I152 L156 Q295 I296 A297 V301 L302 V303	I152-L299 HydrophobicContact CD1-CD2 4.4Å; I152-L299 HydrophobicContact CG2-CD1 4.43Å; I152-L299 HydrophobicContact CG2-CD2 3.44Å; I152-L299 VanDerWaalsContact CG2-CD2 3.44Å; L156-L299 HydrophobicContact CD1-CB 4.11Å; L156-L299 HydrophobicContact CD1-CD1 4.22Å; L156-L299 HydrophobicContact CD2-CB 3.8Å; L156-L299 HydrophobicContact CD2-CD1 3.39Å; L156-L299 HydrophobicContact CD2-CG 4.17Å; L156-L299 HydrophobicContact CG-CB 4.37Å; L156-L299 HydrophobicContact CG-CD1 3.72Å; Q295-L299 VanDerWaalsContact O-CB 3.32Å; Q295-L299 WeakPolarHBondContact O-CB 3.25Å; Q295-L299 PolarHBondContact O-N 3.32Å; I296-L299 WeakPolarHBondContact O-CB 3.48Å; I296-L299 PolarHBondContact O-N 2.93Å; A297-L299 VanDerWaalsContact C-N 3.34Å; A297-L299 PolarHBondContact O-N 3.39Å; L299-V301 VanDerWaalsContact C-N 3.29Å; L299-V301 PolarHBondContact O-N 3.22Å; L299-L302 WeakPolarHBondContact O-CB 3.26Å; L299-L302 PolarHBondContact O-N 3.03Å; L299-L302 VanDerWaalsContact O-N 3.16Å; L299-V303 HydrophobicContact CD1-CG2 4.03Å; L299-V303 HydrophobicContact CG-CG2 4.4Å; L299-V303 WeakPolarHBondContact O-CG2 3.42Å; L299-V303 PolarHBondContact O-N 3.42Å
300	V	88.5	Confident	85.3	Confident	79 Å²	79	51.7 Å²	51.7	48%	0.479	28%	0.278	S	S	.	.	H	α-helix	trans	-60.8	-43.9	-178.6	172.4	0	0	0	0	110.1	I296 A297 L298 L302 V303 I304	I296-V300 WeakPolarHBondContact O-CG2 3.44Å; I296-V300 PolarHBondContact O-N 2.63Å; A297-V300 PolarHBondContact O-N 3.07Å; L298-V300 VanDerWaalsContact C-N 3.34Å; L298-V300 PolarHBondContact O-N 3.16Å; V300-L302 VanDerWaalsContact C-N 3.33Å; V300-L302 PolarHBondContact O-N 3.44Å; V300-V303 PolarHBondContact O-N 2.92Å; V300-I304 HydrophobicContact CG1-CD1 3.67Å; V300-I304 HydrophobicContact CG1-CG1 4.47Å; V300-I304 WeakPolarHBondContact O-CB 3.26Å; V300-I304 WeakPolarHBondContact O-CD1 3.2Å; V300-I304 WeakPolarHBondContact O-CG1 3.24Å; V300-I304 PolarHBondContact O-N 3.46Å
301	V	91.3	Very high	86.3	Confident	50 Å²	50	50.4 Å²	50.4	30%	0.303	28%	0.276	S	S	.	.	H	α-helix	trans	-62	-41.8	175.8	178.4	0	0	0	0	111.4	A297 L298 L299 I304 S305 A452	A297-V301 PolarHBondContact O-N 3.48Å; L298-V301 PolarHBondContact O-N 3.09Å; L299-V301 VanDerWaalsContact C-N 3.29Å; L299-V301 PolarHBondContact O-N 3.22Å; V301-I304 PolarHBondContact O-N 3.3Å; V301-S305 VanDerWaalsContact O-CB 3.27Å; V301-S305 WeakPolarHBondContact O-CB 3.44Å; V301-S305 PolarHBondContact O-N 3.07Å; V301-A452 HydrophobicContact CG1-CB 4.17Å
302	L	89.6	Confident	87.2	Confident	3 Å²	3	49.9 Å²	49.9	2%	0.016	28%	0.276	C	S	.	.	H	α-helix	trans	-62.8	-47.2	179.1	-176.5	68.7	0	0	0	112.2	L156 I159 Y164 L298 L299 V300 S305 L306	L156-L302 HydrophobicContact CD2-CD2 3.85Å; I159-L302 HydrophobicContact CB-CD2 4.11Å; I159-L302 HydrophobicContact CG2-CD1 4Å; I159-L302 HydrophobicContact CG2-CD2 3.84Å; I159-L302 HydrophobicContact CG2-CG 4.29Å; Y164-L302 HydrophobicContact CE2-CD1 3.87Å; Y164-L302 WeakPolarHBondContact OH-CD1 3.38Å; L298-L302 PolarHBondContact O-N 3.13Å; L299-L302 WeakPolarHBondContact O-CB 3.26Å; L299-L302 PolarHBondContact O-N 3.03Å; L299-L302 VanDerWaalsContact O-N 3.16Å; V300-L302 VanDerWaalsContact C-N 3.33Å; V300-L302 PolarHBondContact O-N 3.44Å; L302-S305 WeakPolarHBondContact O-CB 3.28Å; L302-S305 PolarHBondContact O-N 3.49Å; L302-L306 WeakPolarHBondContact O-CG 3.11Å; L302-L306 PolarHBondContact O-N 3.28Å
303	V	89.9	Confident	88.3	Confident	72 Å²	72	48.7 Å²	48.7	44%	0.436	27%	0.266	S	S	.	.	H	α-helix	trans	-64.5	-43.7	179.5	173.4	0	0	0	0	110.7	L299 V300 S305 L306 L307	L299-V303 HydrophobicContact CD1-CG2 4.03Å; L299-V303 HydrophobicContact CG-CG2 4.4Å; L299-V303 WeakPolarHBondContact O-CG2 3.42Å; L299-V303 PolarHBondContact O-N 3.42Å; V300-V303 PolarHBondContact O-N 2.92Å; V303-S305 VanDerWaalsContact C-N 3.3Å; V303-S305 PolarHBondContact O-N 3.26Å; V303-L306 PolarHBondContact O-N 3.35Å; V303-L307 HydrophobicContact CG1-CD1 4.29Å; V303-L307 WeakPolarHBondContact O-CG 3.28Å; V303-L307 PolarHBondContact O-N 3Å
304	I	93.3	Very high	88.9	Confident	81 Å²	81	46.8 Å²	46.8	42%	0.415	27%	0.271	S	S	.	.	H	α-helix	trans	-62.1	-40.2	176.6	-68.5	169.3	0	0	0	110.7	V300 V301 L307 N308 L449	V300-I304 HydrophobicContact CG1-CD1 3.67Å; V300-I304 HydrophobicContact CG1-CG1 4.47Å; V300-I304 WeakPolarHBondContact O-CB 3.26Å; V300-I304 WeakPolarHBondContact O-CD1 3.2Å; V300-I304 WeakPolarHBondContact O-CG1 3.24Å; V300-I304 PolarHBondContact O-N 3.46Å; V301-I304 PolarHBondContact O-N 3.3Å; I304-L307 PolarHBondContact O-N 3.24Å; I304-N308 WeakPolarHBondContact O-CB 3.39Å; I304-N308 PolarHBondContact O-N 3.14Å; I304-L449 HydrophobicContact CG2-CD1 3.96Å; I304-L449 HydrophobicContact CG2-CD2 3.82Å; I304-L449 HydrophobicContact CG2-CG 4.26Å
305	S	93.6	Very high	89.5	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.6	-44.6	175.3	177.5	0	0	0	0	112.5	Y164 V301 L302 V303 N308 Y309 L449 I450 G453	Y164-S305 PolarHBondContact OH-OG 2.98Å; V301-S305 VanDerWaalsContact O-CB 3.27Å; V301-S305 WeakPolarHBondContact O-CB 3.44Å; V301-S305 PolarHBondContact O-N 3.07Å; L302-S305 WeakPolarHBondContact O-CB 3.28Å; L302-S305 PolarHBondContact O-N 3.49Å; V303-S305 VanDerWaalsContact C-N 3.3Å; V303-S305 PolarHBondContact O-N 3.26Å; S305-N308 WeakPolarHBondContact O-CB 3.37Å; S305-N308 PolarHBondContact O-N 3.12Å; S305-Y309 PolarHBondContact O-N 3.25Å; S305-L449 WeakPolarHBondContact CB-O 3.29Å; S305-L449 PolarHBondContact OG-O 2.71Å; S305-I450 VanDerWaalsContact O-CD1 3.22Å; S305-I450 WeakPolarHBondContact O-CD1 3.49Å; S305-I450 WeakPolarHBondContact OG-CA 3.39Å; S305-G453 WeakPolarHBondContact OG-CA 3.49Å
306	L	91.6	Very high	89.9	Confident	17 Å²	17	55.1 Å²	55.1	9%	0.089	32%	0.318	C	S	.	.	H	α-helix	trans	-65.2	-39.9	176.2	-70.8	172.3	0	0	0	112.4	I159 L163 L302 V303 N308 Y309 F310 L392	I159-L306 HydrophobicContact CD1-CD1 4.15Å; L163-L306 HydrophobicContact CD2-CD2 3.75Å; L302-L306 WeakPolarHBondContact O-CG 3.11Å; L302-L306 PolarHBondContact O-N 3.28Å; V303-L306 PolarHBondContact O-N 3.35Å; L306-N308 VanDerWaalsContact C-N 3.32Å; L306-N308 PolarHBondContact O-N 3.44Å; L306-Y309 WeakPolarHBondContact O-CB 3.28Å; L306-Y309 PolarHBondContact O-N 3.41Å; L306-F310 WeakPolarHBondContact O-CD2 2.99Å; L306-F310 PolarHBondContact O-N 2.65Å; L306-F310 VanDerWaalsContact O-N 3.13Å; L306-L392 HydrophobicContact CD1-CD2 3.95Å
307	L	93.1	Very high	90.4	Very high	99 Å²	99	51.5 Å²	51.5	52%	0.518	30%	0.301	S	S	.	.	H	α-helix	trans	-62.3	-41.4	173.5	-69.8	174	0	0	0	111.4	V303 I304 Y309 F310 I311	V303-L307 HydrophobicContact CG1-CD1 4.29Å; V303-L307 WeakPolarHBondContact O-CG 3.28Å; V303-L307 PolarHBondContact O-N 3Å; I304-L307 PolarHBondContact O-N 3.24Å; L307-Y309 VanDerWaalsContact C-N 3.29Å; L307-Y309 PolarHBondContact O-N 3.04Å; L307-F310 PolarHBondContact O-N 2.81Å; L307-I311 VanDerWaalsContact O-CG1 3.24Å; L307-I311 WeakPolarHBondContact O-CG1 3.29Å; L307-I311 PolarHBondContact O-N 2.87Å
308	N	95	Very high	90.6	Very high	15 Å²	15	52.2 Å²	52.2	8%	0.08	30%	0.299	C	S	.	.	H	α-helix	trans	-61.3	-36.4	175.9	177.4	72.2	0	0	0	112.8	I304 S305 L306 G312 A445 W446 L449 I450	I304-N308 WeakPolarHBondContact O-CB 3.39Å; I304-N308 PolarHBondContact O-N 3.14Å; S305-N308 WeakPolarHBondContact O-CB 3.37Å; S305-N308 PolarHBondContact O-N 3.12Å; L306-N308 VanDerWaalsContact C-N 3.32Å; L306-N308 PolarHBondContact O-N 3.44Å; N308-G312 PolarHBondContact O-N 2.97Å; N308-A445 PolarHBondContact O-N 2.91Å; N308-A445 VanDerWaalsContact O-N 3.12Å; N308-W446 PolarHBondContact ND2-N 2.87Å; N308-W446 PolarHBondContact ND2-O 3.09Å; N308-W446 PolarHBondContact OD1-N 3.25Å; N308-L449 HydrophobicContact CB-CD2 3.65Å; N308-L449 HydrophobicContact CB-CG 4.2Å; N308-I450 HydrophobicContact CB-CD1 4.31Å; N308-I450 WeakPolarHBondContact ND2-CD1 3.47Å; N308-I450 WeakPolarHBondContact ND2-CG1 3.44Å
309	Y	94.3	Very high	90.7	Very high	1 Å²	1	54.6 Å²	54.6	0%	0.004	32%	0.316	C	S	.	.	H	α-helix	trans	-62.3	-52.1	171.7	166.4	-100.6	0	0	0	111.4	S305 L306 L307 I311 G312 L313 V396 T400 L440 E443	S305-Y309 PolarHBondContact O-N 3.25Å; L306-Y309 WeakPolarHBondContact O-CB 3.28Å; L306-Y309 PolarHBondContact O-N 3.41Å; L307-Y309 VanDerWaalsContact C-N 3.29Å; L307-Y309 PolarHBondContact O-N 3.04Å; Y309-I311 VanDerWaalsContact C-N 3.33Å; Y309-I311 PolarHBondContact O-N 2.68Å; Y309-G312 WeakPolarHBondContact O-CA 3.29Å; Y309-G312 PolarHBondContact O-N 3.45Å; Y309-G312 VanDerWaalsContact O-N 3.08Å; Y309-L313 HydrophobicContact CD1-CD1 4.27Å; Y309-L313 HydrophobicContact CE1-CD1 3.61Å; Y309-L313 HydrophobicContact CE1-CG 4.35Å; Y309-L313 HydrophobicContact CE2-CD1 4.31Å; Y309-L313 HydrophobicContact CE2-CD2 4.17Å; Y309-L313 HydrophobicContact CE2-CG 4.26Å; Y309-L313 PolarHBondContact O-N 3.18Å; Y309-L313 VanDerWaalsContact O-N 3.08Å; Y309-V396 HydrophobicContact CE1-CB 4.47Å; Y309-V396 HydrophobicContact CE1-CG1 4.27Å; Y309-V396 HydrophobicContact CE1-CG2 3.9Å; Y309-T400 PolarHBondContact OH-OG1 2.73Å; Y309-L440 HydrophobicContact CD2-CB 4.29Å; Y309-L440 HydrophobicContact CD2-CD2 4.26Å; Y309-L440 HydrophobicContact CD2-CG 3.94Å; Y309-L440 HydrophobicContact CE2-CB 4.44Å; Y309-L440 HydrophobicContact CE2-CD2 4.24Å; Y309-L440 HydrophobicContact CE2-CG 3.72Å; Y309-E443 HydrophobicContact CD2-CB 4.35Å; Y309-E443 HydrophobicContact CE2-CB 4.11Å; Y309-E443 WeakPolarHBondContact CE2-OE2 3.43Å
310	F	93.7	Very high	91	Very high	60 Å²	60	57.8 Å²	57.8	26%	0.263	33%	0.332	S	S	.	.	H	α-helix	trans	-63.4	-36.5	179.6	-69.9	-64.6	0	0	0	113.4	L306 L307 G312 L313 L392 V396 F399	L306-F310 WeakPolarHBondContact O-CD2 2.99Å; L306-F310 PolarHBondContact O-N 2.65Å; L306-F310 VanDerWaalsContact O-N 3.13Å; L307-F310 PolarHBondContact O-N 2.81Å; F310-G312 VanDerWaalsContact C-N 3.33Å; F310-L313 HydrophobicContact CD1-CD1 4.16Å; F310-L313 PolarHBondContact O-N 2.95Å; F310-L392 HydrophobicContact CE2-CD1 3.96Å; F310-L392 HydrophobicContact CZ-CD1 3.74Å; F310-V396 HydrophobicContact CZ-CG2 4.34Å; F310-F399 HydrophobicContact CD1-CD2 4.12Å; F310-F399 HydrophobicContact CD1-CE2 4.07Å; F310-F399 AromaticContact CE1-CD2 3.73Å; F310-F399 HydrophobicContact CE1-CD2 3.73Å; F310-F399 AromaticContact CE1-CE2 3.67Å; F310-F399 HydrophobicContact CE1-CE2 3.67Å
311	I	93.6	Very high	91	Very high	99 Å²	99	56.1 Å²	56.1	51%	0.508	32%	0.32	S	S	.	.	H	α-helix	trans	-64.7	-40.5	173.8	-66.9	164.3	0	0	0	110.3	L307 Y309 L313 C314 M315 A445	L307-I311 VanDerWaalsContact O-CG1 3.24Å; L307-I311 WeakPolarHBondContact O-CG1 3.29Å; L307-I311 PolarHBondContact O-N 2.87Å; Y309-I311 VanDerWaalsContact C-N 3.33Å; Y309-I311 PolarHBondContact O-N 2.68Å; I311-L313 VanDerWaalsContact C-N 3.34Å; I311-L313 PolarHBondContact O-N 3.4Å; I311-C314 WeakPolarHBondContact O-CB 3.43Å; I311-C314 PolarHBondContact O-N 3.01Å; I311-C314 VanDerWaalsContact O-N 3.1Å; I311-M315 PolarHBondContact O-N 3.13Å; I311-A445 HydrophobicContact CB-CB 4.42Å; I311-A445 HydrophobicContact CG2-CB 4.02Å
312	G	92.2	Very high	90.9	Very high	9 Å²	9	59.2 Å²	59.2	9%	0.093	33%	0.326	C	S	.	.	H	α-helix	trans	-60.4	-40.2	177.4	0	0	0	0	0	113.2	N308 Y309 F310 C314 M315 E443 A445	N308-G312 PolarHBondContact O-N 2.97Å; Y309-G312 WeakPolarHBondContact O-CA 3.29Å; Y309-G312 PolarHBondContact O-N 3.45Å; Y309-G312 VanDerWaalsContact O-N 3.08Å; F310-G312 VanDerWaalsContact C-N 3.33Å; G312-C314 PolarHBondContact O-N 3.44Å; G312-M315 PolarHBondContact O-N 3.32Å; G312-E443 CarbonylContact C-O 3.56Å; G312-E443 VanDerWaalsContact C-O 3.26Å; G312-E443 VanDerWaalsContact CA-O 3.25Å; G312-E443 WeakPolarHBondContact CA-O 3.23Å; G312-A445 VanDerWaalsContact CA-N 3.35Å
313	L	91.7	Very high	90.9	Very high	16 Å²	16	59 Å²	59	8%	0.084	33%	0.325	C	S	.	.	H	α-helix	trans	-61	-28.6	174.4	-65	174.5	0	0	0	113.5	Y309 F310 I311 F329 F399 T403 E443	Y309-L313 HydrophobicContact CD1-CD1 4.27Å; Y309-L313 HydrophobicContact CE1-CD1 3.61Å; Y309-L313 HydrophobicContact CE1-CG 4.35Å; Y309-L313 HydrophobicContact CE2-CD1 4.31Å; Y309-L313 HydrophobicContact CE2-CD2 4.17Å; Y309-L313 HydrophobicContact CE2-CG 4.26Å; Y309-L313 PolarHBondContact O-N 3.18Å; Y309-L313 VanDerWaalsContact O-N 3.08Å; F310-L313 HydrophobicContact CD1-CD1 4.16Å; F310-L313 PolarHBondContact O-N 2.95Å; I311-L313 VanDerWaalsContact C-N 3.34Å; I311-L313 PolarHBondContact O-N 3.4Å; L313-F329 HydrophobicContact CB-CE2 4.16Å; L313-F329 HydrophobicContact CB-CZ 4.34Å; L313-F329 WeakPolarHBondContact O-CE2 3.02Å; L313-F399 HydrophobicContact CD1-CB 3.62Å; L313-F399 HydrophobicContact CD1-CD2 3.77Å; L313-F399 HydrophobicContact CD1-CG 3.93Å; L313-T403 HydrophobicContact CD2-CG2 4.01Å; L313-E443 HydrophobicContact CD2-CB 4.32Å
314	C	90.3	Very high	90.8	Very high	113 Å²	113	56.7 Å²	56.7	76%	0.764	31%	0.309	S	S	*	.	H	α-helix	trans	-81.2	-15.8	177	-64.6	0	0	0	0	113.1	I311 G312	I311-C314 WeakPolarHBondContact O-CB 3.43Å; I311-C314 PolarHBondContact O-N 3.01Å; I311-C314 VanDerWaalsContact O-N 3.1Å; G312-C314 PolarHBondContact O-N 3.44Å
315	M	89.8	Confident	90.7	Very high	115 Å²	115	52.8 Å²	52.8	57%	0.567	29%	0.289	S	S	*	.	S	Bend	trans	-84.9	141.9	178.7	-65.6	-179.8	66.8	0	0	110.6	I311 G312 A445	I311-M315 PolarHBondContact O-N 3.13Å; G312-M315 PolarHBondContact O-N 3.32Å; M315-A445 HydrophobicContact SD-CB 3.76Å
316	S	86.9	Confident	90.6	Very high	99 Å²	99	53.3 Å²	53.3	69%	0.692	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-68.4	133.6	175.9	58.3	0	0	0	0	110.6
317	P	87.8	Confident	90.5	Very high	18 Å²	18	54.6 Å²	54.6	12%	0.117	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-67.8	136.9	-176	25.8	-33.4	0	0	0	111.6	Q321 R322 I326	P317-Q321 HydrophobicContact CB-CB 4.18Å; P317-R322 HydrophobicContact CB-CG 4.1Å; P317-R322 HydrophobicContact CG-CG 4.08Å; P317-R322 PolarHBondContact O-NE 3.47Å; P317-R322 PolarHBondContact O-NH2 3.28Å; P317-I326 HydrophobicContact CB-CB 4.39Å; P317-I326 HydrophobicContact CB-CG2 3.85Å; P317-I326 HydrophobicContact CG-CG2 4.47Å
318	T	89.3	Confident	90.3	Very high	76 Å²	76	50.5 Å²	50.5	47%	0.466	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-65.9	161.9	172.9	59.8	0	0	0	0	111.4	L320 Q321 R322	T318-L320 PolarHBondContact O-N 2.9Å; T318-Q321 PolarHBondContact O-N 2.72Å; T318-Q321 VanDerWaalsContact O-N 3.17Å; T318-Q321 WeakPolarHBondContact OG1-CB 3.28Å; T318-Q321 VanDerWaalsContact OG1-CG 3.28Å; T318-Q321 WeakPolarHBondContact OG1-CG 3.48Å; T318-Q321 PolarHBondContact OG1-N 3.47Å; T318-Q321 PolarHBondContact OG1-OE1 2.82Å; T318-R322 WeakPolarHBondContact O-CG 3.38Å; T318-R322 PolarHBondContact O-N 2.91Å
319	T	86.8	Confident	90.1	Very high	95 Å²	95	55.3 Å²	55.3	58%	0.583	30%	0.303	S	S	*	.	H	α-helix	trans	-58.1	-36.7	178.6	47.8	0	0	0	0	112.6	R322 A323	T319-R322 PolarHBondContact O-N 2.91Å; T319-A323 PolarHBondContact O-N 2.9Å; T319-A323 VanDerWaalsContact O-N 3.07Å
320	L	88.4	Confident	89.9	Confident	96 Å²	96	58.1 Å²	58.1	50%	0.503	32%	0.317	S	S	.	.	H	α-helix	trans	-67.3	-47.9	175.2	-168.6	162	0	0	0	111.1	T318 R322 A323 Q324	T318-L320 PolarHBondContact O-N 2.9Å; L320-R322 VanDerWaalsContact C-N 3.25Å; L320-R322 PolarHBondContact O-N 2.82Å; L320-A323 CarbonylContact O-C 3.39Å; L320-A323 WeakPolarHBondContact O-CA 3.19Å; L320-A323 WeakPolarHBondContact O-CB 3.24Å; L320-A323 PolarHBondContact O-N 2.87Å; L320-Q324 HydrophobicContact CD2-CG 4.02Å; L320-Q324 VanDerWaalsContact CD2-OE1 3.25Å; L320-Q324 PolarHBondContact O-N 3.32Å
321	Q	89.1	Confident	89.8	Confident	45 Å²	45	57.6 Å²	57.6	21%	0.21	33%	0.329	C	S	.	.	H	α-helix	trans	-59.2	-37.2	176.4	-77.3	169.3	-40.9	0	0	112	P317 T318 Q324 G325 I326 L442	P317-Q321 HydrophobicContact CB-CB 4.18Å; T318-Q321 PolarHBondContact O-N 2.72Å; T318-Q321 VanDerWaalsContact O-N 3.17Å; T318-Q321 WeakPolarHBondContact OG1-CB 3.28Å; T318-Q321 VanDerWaalsContact OG1-CG 3.28Å; T318-Q321 WeakPolarHBondContact OG1-CG 3.48Å; T318-Q321 PolarHBondContact OG1-N 3.47Å; T318-Q321 PolarHBondContact OG1-OE1 2.82Å; Q321-Q324 CarbonylContact O-C 3.54Å; Q321-Q324 PolarHBondContact O-N 2.74Å; Q321-G325 PolarHBondContact O-N 2.81Å; Q321-I326 HydrophobicContact CB-CB 4.18Å; Q321-I326 HydrophobicContact CB-CD1 3.98Å; Q321-I326 HydrophobicContact CG-CD1 4.06Å; Q321-I326 WeakPolarHBondContact O-CB 3.25Å; Q321-I326 PolarHBondContact O-N 2.86Å; Q321-L442 PolarHBondContact NE2-O 3.23Å
322	R	89	Confident	89.6	Confident	114 Å²	114	56.5 Å²	56.5	43%	0.43	33%	0.327	S	S	.	.	H	α-helix	trans	-64.1	-41.4	172.8	-70.5	-178.8	-163.3	169.4	4.5	112.6	P317 T318 T319 L320 Q324 G325 I326 L415 L420	P317-R322 HydrophobicContact CB-CG 4.1Å; P317-R322 HydrophobicContact CG-CG 4.08Å; P317-R322 PolarHBondContact O-NE 3.47Å; P317-R322 PolarHBondContact O-NH2 3.28Å; T318-R322 WeakPolarHBondContact O-CG 3.38Å; T318-R322 PolarHBondContact O-N 2.91Å; T319-R322 PolarHBondContact O-N 2.91Å; L320-R322 VanDerWaalsContact C-N 3.25Å; L320-R322 PolarHBondContact O-N 2.82Å; R322-Q324 PolarHBondContact O-N 2.81Å; R322-G325 PolarHBondContact O-N 2.75Å; R322-I326 WeakPolarHBondContact CA-O 3.5Å; R322-I326 WeakPolarHBondContact CG-O 3.36Å; R322-L415 HydrophobicContact CB-CD1 4.18Å; R322-L415 HydrophobicContact CB-CD2 3.71Å; R322-L420 WeakPolarHBondContact O-CD2 3.26Å
323	A	89.1	Confident	89.5	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-65.1	-26.5	174.2	0	0	0	0	0	112.4	T319 L320 G325 G410 V412 L415 L420	T319-A323 PolarHBondContact O-N 2.9Å; T319-A323 VanDerWaalsContact O-N 3.07Å; L320-A323 CarbonylContact O-C 3.39Å; L320-A323 WeakPolarHBondContact O-CA 3.19Å; L320-A323 WeakPolarHBondContact O-CB 3.24Å; L320-A323 PolarHBondContact O-N 2.87Å; A323-G325 VanDerWaalsContact C-N 3.27Å; A323-G410 WeakPolarHBondContact O-CA 3.28Å; A323-G410 PolarHBondContact O-N 2.89Å; A323-V412 HydrophobicContact CB-CG2 4.05Å; A323-L415 HydrophobicContact CB-CB 4.49Å; A323-L415 HydrophobicContact CB-CD2 4.47Å; A323-L420 WeakPolarHBondContact O-CD1 3.45Å
324	Q	89.1	Confident	89.6	Confident	22 Å²	22	58.1 Å²	58.1	10%	0.103	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	0.6	172.3	-66.7	173.8	-37.1	0	0	113.6	L320 Q321 R322 A408 Y431 L442	L320-Q324 HydrophobicContact CD2-CG 4.02Å; L320-Q324 VanDerWaalsContact CD2-OE1 3.25Å; L320-Q324 PolarHBondContact O-N 3.32Å; Q321-Q324 CarbonylContact O-C 3.54Å; Q321-Q324 PolarHBondContact O-N 2.74Å; R322-Q324 PolarHBondContact O-N 2.81Å; Q324-A408 VanDerWaalsContact C-CB 3.45Å; Q324-A408 WeakPolarHBondContact O-CB 3.44Å; Q324-Y431 HydrophobicContact CB-CD1 4.19Å; Q324-Y431 HydrophobicContact CB-CG 4.15Å; Q324-Y431 HydrophobicContact CG-CD1 4.05Å; Q324-Y431 HydrophobicContact CG-CD2 4.2Å; Q324-Y431 HydrophobicContact CG-CE1 4.12Å; Q324-Y431 HydrophobicContact CG-CE2 4.28Å; Q324-Y431 HydrophobicContact CG-CG 4.08Å; Q324-Y431 WeakPolarHBondContact O-CB 3.27Å; Q324-L442 HydrophobicContact CB-CD1 4.19Å
325	G	89.5	Confident	89.7	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	102.1	4.5	174.5	0	0	0	0	0	115.6	Q321 R322 A323 T327 C404 L405	Q321-G325 PolarHBondContact O-N 2.81Å; R322-G325 PolarHBondContact O-N 2.75Å; A323-G325 VanDerWaalsContact C-N 3.27Å; G325-T327 PolarHBondContact O-N 2.8Å; G325-C404 CarbonylContact O-C 3.58Å; G325-C404 WeakPolarHBondContact O-CA 3.33Å; G325-L405 PolarHBondContact O-N 2.95Å
326	I	92	Very high	89.8	Confident	10 Å²	10	57.2 Å²	57.2	5%	0.051	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-83.5	109.8	176.6	-58.4	172.6	0	0	0	109.7	P317 Q321 R322 T403 L442 E443	P317-I326 HydrophobicContact CB-CB 4.39Å; P317-I326 HydrophobicContact CB-CG2 3.85Å; P317-I326 HydrophobicContact CG-CG2 4.47Å; Q321-I326 HydrophobicContact CB-CB 4.18Å; Q321-I326 HydrophobicContact CB-CD1 3.98Å; Q321-I326 HydrophobicContact CG-CD1 4.06Å; Q321-I326 WeakPolarHBondContact O-CB 3.25Å; Q321-I326 PolarHBondContact O-N 2.86Å; R322-I326 WeakPolarHBondContact CA-O 3.5Å; R322-I326 WeakPolarHBondContact CG-O 3.36Å; I326-T403 CarbonylContact C-O 3.6Å; I326-T403 WeakPolarHBondContact CA-O 3.2Å; I326-L442 VanDerWaalsContact CD1-C 3.43Å; I326-L442 HydrophobicContact CD1-CB 3.53Å; I326-L442 VanDerWaalsContact CD1-O 3.24Å; I326-L442 WeakPolarHBondContact CD1-O 3.4Å; I326-E443 HydrophobicContact CD1-CG 3.99Å; I326-E443 HydrophobicContact CG1-CG 4.29Å
327	T	90.2	Very high	90.1	Very high	45 Å²	45	52.5 Å²	52.5	28%	0.276	29%	0.29	S	S	.	.			trans	-91.1	-18.2	179.5	51.2	0	0	0	0	112.7	G325 T333 T403 L405	G325-T327 PolarHBondContact O-N 2.8Å; T327-T333 PolarHBondContact OG1-OG1 2.9Å; T327-T333 VanDerWaalsContact OG1-OG1 3.06Å; T327-T403 PolarHBondContact N-O 3.08Å; T327-T403 PolarHBondContact OG1-O 2.76Å; T327-L405 HydrophobicContact CG2-CD1 3.79Å; T327-L405 HydrophobicContact CG2-CD2 4.24Å; T327-L405 HydrophobicContact CG2-CG 3.76Å
328	G	89.4	Confident	90.3	Very high	13 Å²	13	53.2 Å²	53.2	13%	0.134	30%	0.295	C	S	.	.			trans	74.6	-175.9	-163.5	0	0	0	0	0	110.5	N330 T403	G328-N330 PolarHBondContact O-N 3.32Å; G328-T403 PolarHBondContact N-O 2.58Å; G328-T403 WeakPolarHBondContact O-CA 3.48Å
329	F	90.3	Very high	90.5	Very high	116 Å²	116	55.1 Å²	55.1	51%	0.509	30%	0.302	S	S	.	.	S	Bend	trans	-63.1	102.4	-178	-73.4	-76.5	0	0	0	111.3	L313 F399 T402 T403	L313-F329 HydrophobicContact CB-CE2 4.16Å; L313-F329 HydrophobicContact CB-CZ 4.34Å; L313-F329 WeakPolarHBondContact O-CE2 3.02Å; F329-F399 AromaticContact CE1-CD1 3.82Å; F329-F399 HydrophobicContact CE1-CD1 3.82Å; F329-F399 HydrophobicContact CE1-CE1 4.45Å; F329-F399 HydrophobicContact CE1-CG 4.47Å; F329-F399 HydrophobicContact CZ-CD1 4.02Å; F329-F399 HydrophobicContact CZ-CG 4.4Å; F329-T402 HydrophobicContact CD1-CG2 3.74Å; F329-T402 HydrophobicContact CE1-CG2 4.46Å; F329-T403 HydrophobicContact CD1-CG2 4.01Å; F329-T403 HydrophobicContact CD2-CG2 4.26Å; F329-T403 HydrophobicContact CE1-CG2 4.02Å; F329-T403 HydrophobicContact CE2-CG2 4.28Å; F329-T403 HydrophobicContact CG-CG2 4.12Å; F329-T403 HydrophobicContact CZ-CG2 4.16Å
330	N	90.4	Very high	90.7	Very high	59 Å²	59	53.2 Å²	53.2	32%	0.316	29%	0.291	S	S	.	.			trans	-129.3	128.3	-177.2	-172.8	-0.1	0	0	0	111.1	G328 T332 T333 L334	G328-N330 PolarHBondContact O-N 3.32Å; N330-T332 VanDerWaalsContact C-N 3.26Å; N330-T332 PolarHBondContact ND2-OG1 3.24Å; N330-T332 PolarHBondContact O-N 3.19Å; N330-T332 PolarHBondContact OD1-N 3.12Å; N330-T332 PolarHBondContact OD1-OG1 3.32Å; N330-T333 PolarHBondContact O-N 3.4Å; N330-L334 PolarHBondContact O-N 3.41Å; N330-L334 VanDerWaalsContact O-N 3.07Å
331	G	90	Very high	90.9	Very high	49 Å²	49	51.1 Å²	51.1	51%	0.505	28%	0.281	S	S	.	.	H	α-helix	trans	-62.8	-30.5	178.8	0	0	0	0	0	113.4	T335	G331-T335 WeakPolarHBondContact O-CG2 3.47Å; G331-T335 PolarHBondContact O-N 2.81Å; G331-T335 VanDerWaalsContact O-N 3.12Å; G331-T335 PolarHBondContact O-OG1 3.42Å
332	T	90.5	Very high	90.9	Very high	77 Å²	77	53.4 Å²	53.4	47%	0.472	29%	0.288	S	S	.	.	H	α-helix	trans	-71.2	-45.6	178.3	63.6	0	0	0	0	111.2	N330 L334 T335 E336	N330-T332 VanDerWaalsContact C-N 3.26Å; N330-T332 PolarHBondContact ND2-OG1 3.24Å; N330-T332 PolarHBondContact O-N 3.19Å; N330-T332 PolarHBondContact OD1-N 3.12Å; N330-T332 PolarHBondContact OD1-OG1 3.32Å; T332-L334 VanDerWaalsContact C-N 3.3Å; T332-L334 PolarHBondContact O-N 3.02Å; T332-T335 WeakPolarHBondContact CA-OG1 3.49Å; T332-T335 PolarHBondContact O-N 2.73Å; T332-T335 VanDerWaalsContact O-N 3.12Å; T332-T335 PolarHBondContact O-OG1 3.45Å; T332-E336 WeakPolarHBondContact O-CG 3.39Å; T332-E336 PolarHBondContact O-N 3.28Å
333	T	90.7	Very high	90.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-58.7	-42.3	174.8	-55.8	0	0	0	0	111.2	T327 N330 T335 E336 N337 T402 C404 L405	T327-T333 PolarHBondContact OG1-OG1 2.9Å; T327-T333 VanDerWaalsContact OG1-OG1 3.06Å; N330-T333 PolarHBondContact O-N 3.4Å; T333-T335 PolarHBondContact O-N 3.05Å; T333-E336 PolarHBondContact O-N 3.44Å; T333-N337 WeakPolarHBondContact O-CB 3.24Å; T333-N337 PolarHBondContact O-N 3.28Å; T333-N337 PolarHBondContact O-ND2 2.96Å; T333-T402 WeakPolarHBondContact CG2-O 3.3Å; T333-C404 WeakPolarHBondContact CG2-O 3.38Å; T333-L405 HydrophobicContact CG2-CD2 4.11Å
334	L	92.7	Very high	90.5	Very high	58 Å²	58	55.3 Å²	55.3	30%	0.304	32%	0.321	S	S	.	.	H	α-helix	trans	-57.2	-46.7	174.1	177.4	65.1	0	0	0	112.2	L176 N330 T332 S338 W398 T402	L176-L334 HydrophobicContact CD1-CD1 3.46Å; L176-L334 VanDerWaalsContact CD1-CD1 3.46Å; N330-L334 PolarHBondContact O-N 3.41Å; N330-L334 VanDerWaalsContact O-N 3.07Å; T332-L334 VanDerWaalsContact C-N 3.3Å; T332-L334 PolarHBondContact O-N 3.02Å; L334-S338 PolarHBondContact O-N 3.49Å; L334-W398 HydrophobicContact CD1-CE3 4.42Å; L334-W398 HydrophobicContact CD1-CZ3 4.24Å; L334-T402 HydrophobicContact CB-CG2 4.18Å; L334-T402 WeakPolarHBondContact CD1-OG1 3.26Å
335	T	92.5	Very high	90.5	Very high	94 Å²	94	56.9 Å²	56.9	58%	0.577	33%	0.329	S	S	*	.	H	α-helix	trans	-67.7	-38.9	-179.1	51.1	0	0	0	0	112.4	G331 T332 T333 S338	G331-T335 WeakPolarHBondContact O-CG2 3.47Å; G331-T335 PolarHBondContact O-N 2.81Å; G331-T335 VanDerWaalsContact O-N 3.12Å; G331-T335 PolarHBondContact O-OG1 3.42Å; T332-T335 WeakPolarHBondContact CA-OG1 3.49Å; T332-T335 PolarHBondContact O-N 2.73Å; T332-T335 VanDerWaalsContact O-N 3.12Å; T332-T335 PolarHBondContact O-OG1 3.45Å; T333-T335 PolarHBondContact O-N 3.05Å; T335-S338 WeakPolarHBondContact O-CB 3.45Å; T335-S338 PolarHBondContact O-N 3.46Å; T335-S338 PolarHBondContact O-OG 3.33Å
336	E	91.1	Very high	90.6	Very high	115 Å²	115	60.8 Å²	60.8	54%	0.537	35%	0.352	S	S	.	.	H	α-helix	trans	-68.3	-37.6	179.2	-72.2	174.6	-179.2	0	0	112.4	T332 T333 S338 R406	T332-E336 WeakPolarHBondContact O-CG 3.39Å; T332-E336 PolarHBondContact O-N 3.28Å; T333-E336 PolarHBondContact O-N 3.44Å; E336-S338 VanDerWaalsContact C-N 3.32Å; E336-S338 PolarHBondContact O-N 2.87Å; E336-R406 PolarHBondContact O-NH1 2.91Å
337	N	94.4	Very high	90.6	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.005	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-2.1	179.7	-69.7	-21.6	0	0	0	113.8	G175 L176 T333 G401 C404 R406	G175-N337 CarbonylContact C-O 3.56Å; G175-N337 WeakPolarHBondContact CA-O 3.34Å; L176-N337 HydrophobicContact CD1-CB 4.41Å; L176-N337 HydrophobicContact CG-CB 4.47Å; L176-N337 PolarHBondContact N-O 3.48Å; T333-N337 WeakPolarHBondContact O-CB 3.24Å; T333-N337 PolarHBondContact O-N 3.28Å; T333-N337 PolarHBondContact O-ND2 2.96Å; N337-G401 WeakPolarHBondContact CB-O 3.4Å; N337-G401 PolarHBondContact ND2-O 2.83Å; N337-C404 PolarHBondContact ND2-O 3.1Å; N337-R406 VanDerWaalsContact OD1-CG 3.31Å; N337-R406 WeakPolarHBondContact OD1-CG 3.34Å
338	S	91.8	Very high	90.6	Very high	32 Å²	32	60.9 Å²	60.9	22%	0.224	35%	0.351	C	S	.	.	S	Bend	trans	-70.5	-38.6	-174.2	66.9	0	0	0	0	114.1	L177 L334 T335 E336	L177-S338 PolarHBondContact N-O 2.94Å; L334-S338 PolarHBondContact O-N 3.49Å; T335-S338 WeakPolarHBondContact O-CB 3.45Å; T335-S338 PolarHBondContact O-N 3.46Å; T335-S338 PolarHBondContact O-OG 3.33Å; E336-S338 VanDerWaalsContact C-N 3.32Å; E336-S338 PolarHBondContact O-N 2.87Å
339	L	92.6	Very high	90.6	Very high	116 Å²	116	61.6 Å²	61.6	61%	0.607	36%	0.355	S	S	*	.	S	Bend	trans	-95.7	156.8	-179.3	-69.6	173.7	0	0	0	111.3	R406	L339-R406 PolarHBondContact O-NH2 3.5Å
340	P	92.8	Very high	90.7	Very high	55 Å²	55	56.1 Å²	56.1	36%	0.357	33%	0.33	S	S	.	.			trans	-70	146.4	179.3	27.3	-34.8	0	0	0	113.7	Q173 A174 L178 W342	Q173-P340 WeakPolarHBondContact O-CA 3.46Å; Q173-P340 WeakPolarHBondContact O-CB 3.49Å; A174-P340 WeakPolarHBondContact O-CA 3.42Å; A174-P340 WeakPolarHBondContact O-CB 3.17Å; L178-P340 HydrophobicContact CD2-CB 4.47Å; P340-W342 HydrophobicContact CB-CZ2 4.11Å
341	D	90.6	Very high	90.8	Very high	52 Å²	52	53.3 Å²	53.3	28%	0.278	32%	0.315	S	S	.	.			trans	-127.5	92.8	166.9	-177.9	25.4	0	0	0	109.1	Q173 R343 H434	Q173-D341 WeakPolarHBondContact CA-O 3.48Å; Q173-D341 CarbonylContact O-C 3.52Å; Q173-D341 PolarHBondContact O-N 3.24Å; Q173-D341 PolarHBondContact OE1-O 3.38Å; D341-R343 PolarHBondContact O-N 3.38Å; D341-R343 IonicContact OD2-CZ 2.64Å; D341-R343 IonicContact OD2-NE 2.97Å; D341-R343 PolarHBondContact OD2-NE 2.99Å; D341-R343 IonicContact OD2-NH2 3.42Å; D341-R343 PolarHBondContact OD2-NH2 2.8Å; D341-H434 PolarHBondContact O-CE1 2.95Å; D341-H434 VanDerWaalsContact O-CE1 3.31Å; D341-H434 IonicContact OD2-NE2 3.93Å
342	W	90.2	Very high	90.8	Very high	93 Å²	93	51 Å²	51	35%	0.352	29%	0.292	S	S	.	.			trans	-80	113.1	-174.2	-61.1	112.8	0	0	0	111.9	Q173 A174 L178 P340 E345 T346 F347 V350	Q173-W342 HydrophobicContact CB-CE3 4.22Å; Q173-W342 HydrophobicContact CB-CZ3 4.19Å; A174-W342 HydrophobicContact CB-CH2 4.03Å; A174-W342 HydrophobicContact CB-CZ3 4.49Å; L178-W342 HydrophobicContact CD2-CH2 3.97Å; L178-W342 HydrophobicContact CD2-CZ2 3.44Å; L178-W342 VanDerWaalsContact CD2-CZ2 3.44Å; P340-W342 HydrophobicContact CB-CZ2 4.11Å; W342-E345 HydrophobicContact CE3-CB 4.44Å; W342-T346 VanDerWaalsContact CZ3-C 3.44Å; W342-F347 VanDerWaalsContact CH2-CA 3.46Å; W342-F347 HydrophobicContact CH2-CB 3.92Å; W342-F347 HydrophobicContact CZ2-CB 4.1Å; W342-V350 HydrophobicContact CZ3-CB 4.35Å; W342-V350 HydrophobicContact CZ3-CG2 3.66Å
343	R	86.1	Confident	90.8	Very high	69 Å²	69	47.5 Å²	47.5	26%	0.26	27%	0.27	S	S	.	.	S	Bend	trans	-112.5	88.7	173.7	-61.4	-170.1	-173.4	175.6	5.7	110.9	Q173 D341 E345 D407	Q173-R343 PolarHBondContact NE2-O 3.01Å; D341-R343 PolarHBondContact O-N 3.38Å; D341-R343 IonicContact OD2-CZ 2.64Å; D341-R343 IonicContact OD2-NE 2.97Å; D341-R343 PolarHBondContact OD2-NE 2.99Å; D341-R343 IonicContact OD2-NH2 3.42Å; D341-R343 PolarHBondContact OD2-NH2 2.8Å; R343-E345 PolarHBondContact O-N 3.45Å; R343-D407 IonicContact CZ-OD1 3.53Å; R343-D407 IonicContact CZ-OD2 3.72Å; R343-D407 VanDerWaalsContact CZ-OD2 3.29Å; R343-D407 IonicContact NH1-OD1 2.96Å; R343-D407 PolarHBondContact NH1-OD1 3.45Å; R343-D407 IonicContact NH1-OD2 3.07Å; R343-D407 PolarHBondContact NH1-OD2 3.23Å; R343-D407 VanDerWaalsContact NH1-OD2 3.15Å; R343-D407 IonicContact NH2-OD1 2.97Å; R343-D407 IonicContact NH2-OD2 3.84Å; R343-D407 PolarHBondContact NH2-OD2 3.48Å
344	G	84.1	Confident	90.8	Very high	85 Å²	85	47.6 Å²	47.6	88%	0.876	27%	0.271	S	S	*	.	S	Bend	trans	76.1	3	178.5	0	0	0	0	0	115.1
345	E	89.1	Confident	90.8	Very high	55 Å²	55	44.9 Å²	44.9	26%	0.257	26%	0.256	S	S	.	.			trans	-124.4	163.5	-172.8	-65.3	-69.1	174.3	0	0	111.8	W169 W342 R343 S349 V350	W169-E345 HydrophobicContact CH2-CG 4.12Å; W169-E345 HydrophobicContact CZ2-CG 3.65Å; W342-E345 HydrophobicContact CE3-CB 4.44Å; R343-E345 PolarHBondContact O-N 3.45Å; E345-S349 WeakPolarHBondContact OE2-CB 3.44Å; E345-S349 PolarHBondContact OE2-OG 3.43Å; E345-V350 HydrophobicContact CB-CG2 4.25Å
346	T	91.5	Very high	90.6	Very high	82 Å²	82	40.8 Å²	40.8	50%	0.503	23%	0.231	S	C	.	.			trans	-127	165.8	178.7	63.3	0	0	0	0	110.2	W342 A348 S349 V350	W342-T346 VanDerWaalsContact CZ3-C 3.44Å; T346-A348 PolarHBondContact O-N 2.89Å; T346-S349 PolarHBondContact N-OG 2.93Å; T346-S349 PolarHBondContact O-N 2.84Å; T346-S349 VanDerWaalsContact O-N 3.17Å; T346-S349 PolarHBondContact O-OG 2.85Å; T346-S349 PolarHBondContact OG1-N 2.9Å; T346-S349 PolarHBondContact OG1-OG 2.9Å; T346-V350 WeakPolarHBondContact O-CG2 3.25Å; T346-V350 PolarHBondContact O-N 3.07Å
347	F	91.5	Very high	90.6	Very high	43 Å²	43	35.4 Å²	35.4	19%	0.189	21%	0.206	C	C	.	.	H	α-helix	trans	-54.1	-38.1	173	-179.2	-94.7	0	0	0	112.7	L178 L181 V182 W342 L351 F576	L178-F347 HydrophobicContact CD1-CD2 4.07Å; L178-F347 HydrophobicContact CD1-CE2 3.94Å; L178-F347 HydrophobicContact CD2-CD2 3.66Å; L178-F347 HydrophobicContact CD2-CE2 4.29Å; L178-F347 HydrophobicContact CG-CD2 3.64Å; L178-F347 HydrophobicContact CG-CE2 3.75Å; L181-F347 HydrophobicContact CD2-CE2 4.34Å; L181-F347 HydrophobicContact CD2-CZ 4.3Å; L181-F347 HydrophobicContact CG-CZ 4.44Å; V182-F347 HydrophobicContact CG2-CD2 3.81Å; V182-F347 HydrophobicContact CG2-CE2 3.29Å; V182-F347 HydrophobicContact CG2-CZ 3.83Å; W342-F347 VanDerWaalsContact CH2-CA 3.46Å; W342-F347 HydrophobicContact CH2-CB 3.92Å; W342-F347 HydrophobicContact CZ2-CB 4.1Å; F347-L351 VanDerWaalsContact O-CB 3.27Å; F347-L351 WeakPolarHBondContact O-CB 3.47Å; F347-L351 PolarHBondContact O-N 2.95Å; F347-F576 AromaticContact CD1-CE1 3.91Å; F347-F576 HydrophobicContact CD1-CE1 3.91Å; F347-F576 HydrophobicContact CD1-CZ 4.31Å; F347-F576 HydrophobicContact CE1-CE1 4.39Å
348	A	89.9	Confident	90.4	Very high	14 Å²	14	35.7 Å²	35.7	12%	0.116	21%	0.209	C	C	.	.	H	α-helix	trans	-67.6	-42.5	179.1	0	0	0	0	0	112.5	T346 L351 A352 F576	T346-A348 PolarHBondContact O-N 2.89Å; A348-L351 PolarHBondContact O-N 2.97Å; A348-A352 WeakPolarHBondContact O-CB 3.4Å; A348-A352 PolarHBondContact O-N 2.95Å; A348-F576 HydrophobicContact CB-CD1 3.88Å; A348-F576 HydrophobicContact CB-CE1 3.51Å; A348-F576 HydrophobicContact CB-CZ 3.99Å
349	S	89.7	Confident	90.4	Very high	29 Å²	29	34.2 Å²	34.2	20%	0.203	20%	0.199	C	C	.	.	H	α-helix	trans	-70.8	-40.1	178.6	59.8	0	0	0	0	111.7	E345 T346 L351 A352 V353	E345-S349 WeakPolarHBondContact OE2-CB 3.44Å; E345-S349 PolarHBondContact OE2-OG 3.43Å; T346-S349 PolarHBondContact N-OG 2.93Å; T346-S349 PolarHBondContact O-N 2.84Å; T346-S349 VanDerWaalsContact O-N 3.17Å; T346-S349 PolarHBondContact O-OG 2.85Å; T346-S349 PolarHBondContact OG1-N 2.9Å; T346-S349 PolarHBondContact OG1-OG 2.9Å; S349-L351 PolarHBondContact O-N 3.39Å; S349-A352 WeakPolarHBondContact O-CB 3.28Å; S349-A352 PolarHBondContact O-N 2.85Å; S349-A352 VanDerWaalsContact O-N 3.13Å; S349-V353 WeakPolarHBondContact O-CG2 3.13Å; S349-V353 PolarHBondContact O-N 3.46Å
350	V	92.4	Very high	90	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.8	-42.2	173.3	175.6	0	0	0	0	111.6	W169 V170 Q173 W342 E345 T346 A352 V353 Y354	W169-V350 HydrophobicContact CH2-CG2 3.8Å; W169-V350 HydrophobicContact CZ3-CB 4.28Å; W169-V350 HydrophobicContact CZ3-CG1 4.19Å; W169-V350 HydrophobicContact CZ3-CG2 3.82Å; V170-V350 HydrophobicContact CB-CG1 4.34Å; V170-V350 HydrophobicContact CG1-CG1 4.02Å; V170-V350 HydrophobicContact CG2-CG1 3.96Å; Q173-V350 HydrophobicContact CB-CG2 4.02Å; W342-V350 HydrophobicContact CZ3-CB 4.35Å; W342-V350 HydrophobicContact CZ3-CG2 3.66Å; E345-V350 HydrophobicContact CB-CG2 4.25Å; T346-V350 WeakPolarHBondContact O-CG2 3.25Å; T346-V350 PolarHBondContact O-N 3.07Å; V350-A352 VanDerWaalsContact C-N 3.31Å; V350-A352 PolarHBondContact O-N 2.82Å; V350-V353 PolarHBondContact O-N 3.4Å; V350-Y354 VanDerWaalsContact O-CB 3.31Å; V350-Y354 WeakPolarHBondContact O-CB 3.24Å; V350-Y354 PolarHBondContact O-N 3.05Å
351	L	91.6	Very high	89.9	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.8	-42	172.4	178.3	67.3	0	0	0	111.5	V182 L185 S186 F347 A348 S349 Y354 F355 M573	V182-L351 HydrophobicContact CG1-CB 4.34Å; V182-L351 HydrophobicContact CG1-CD1 3.85Å; L185-L351 HydrophobicContact CD2-CD1 4.37Å; L185-L351 HydrophobicContact CD2-CD2 4.07Å; S186-L351 VanDerWaalsContact OG-CD1 3.3Å; S186-L351 WeakPolarHBondContact OG-CD1 3.26Å; F347-L351 VanDerWaalsContact O-CB 3.27Å; F347-L351 WeakPolarHBondContact O-CB 3.47Å; F347-L351 PolarHBondContact O-N 2.95Å; A348-L351 PolarHBondContact O-N 2.97Å; S349-L351 PolarHBondContact O-N 3.39Å; L351-Y354 PolarHBondContact O-N 3.49Å; L351-F355 VanDerWaalsContact O-CB 3.25Å; L351-F355 WeakPolarHBondContact O-CB 3.43Å; L351-F355 PolarHBondContact O-N 3.47Å; L351-M573 HydrophobicContact CD2-SD 3.94Å
352	A	90.6	Very high	89.8	Confident	1 Å²	1	24.1 Å²	24.1	1%	0.008	14%	0.144	C	C	.	.	H	α-helix	trans	-66.2	-36.2	179.7	0	0	0	0	0	113	A348 S349 V350 P356 P523 S526 I577	A348-A352 WeakPolarHBondContact O-CB 3.4Å; A348-A352 PolarHBondContact O-N 2.95Å; S349-A352 WeakPolarHBondContact O-CB 3.28Å; S349-A352 PolarHBondContact O-N 2.85Å; S349-A352 VanDerWaalsContact O-N 3.13Å; V350-A352 VanDerWaalsContact C-N 3.31Å; V350-A352 PolarHBondContact O-N 2.82Å; A352-P356 WeakPolarHBondContact O-CD 3.28Å; A352-P523 HydrophobicContact CB-CB 4.16Å; A352-P523 HydrophobicContact CB-CG 4.06Å; A352-S526 PolarHBondContact O-OG 2.88Å; A352-I577 HydrophobicContact CB-CB 4.41Å; A352-I577 HydrophobicContact CB-CD1 4.11Å; A352-I577 HydrophobicContact CB-CG1 4.07Å; A352-I577 HydrophobicContact CB-CG2 3.5Å
353	V	90.2	Very high	89.4	Confident	3 Å²	3	20.4 Å²	20.4	2%	0.018	13%	0.133	C	C	.	.	H	α-helix	trans	-75	-37	176	175.2	0	0	0	0	111.4	R166 W169 S349 V350 P356 A522	R166-V353 HydrophobicContact CG-CG1 4.35Å; W169-V353 HydrophobicContact CE3-CG1 4.47Å; W169-V353 HydrophobicContact CH2-CB 4.36Å; W169-V353 HydrophobicContact CH2-CG1 4.46Å; W169-V353 HydrophobicContact CH2-CG2 4.24Å; W169-V353 HydrophobicContact CZ3-CB 3.97Å; W169-V353 HydrophobicContact CZ3-CG1 3.9Å; W169-V353 HydrophobicContact CZ3-CG2 4.36Å; S349-V353 WeakPolarHBondContact O-CG2 3.13Å; S349-V353 PolarHBondContact O-N 3.46Å; V350-V353 PolarHBondContact O-N 3.4Å; V353-P356 VanDerWaalsContact O-CD 3.32Å; V353-P356 WeakPolarHBondContact O-CD 3.07Å; V353-A522 HydrophobicContact CB-CB 4.43Å; V353-A522 HydrophobicContact CG2-CB 4.32Å
354	Y	91.7	Very high	89.2	Confident	3 Å²	3	17.1 Å²	17.1	1%	0.012	12%	0.121	C	C	.	.	H	α-helix	trans	-76.5	-39.3	179.8	176	-96.9	0	0	0	113.4	I167 V170 V182 L183 V350 L351 P356 A357 Y393	I167-Y354 HydrophobicContact CD1-CE2 4.07Å; V170-Y354 HydrophobicContact CG2-CD2 4.26Å; V182-Y354 HydrophobicContact CG1-CD1 3.76Å; V182-Y354 HydrophobicContact CG1-CG 3.98Å; L183-Y354 HydrophobicContact CB-CE1 4.47Å; L183-Y354 HydrophobicContact CD1-CD1 4.26Å; L183-Y354 HydrophobicContact CD1-CD2 3.88Å; L183-Y354 HydrophobicContact CD1-CE1 3.92Å; L183-Y354 HydrophobicContact CD1-CE2 3.5Å; L183-Y354 VanDerWaalsContact CD1-CE2 3.5Å; L183-Y354 HydrophobicContact CD1-CG 4.26Å; L183-Y354 HydrophobicContact CG-CE1 4Å; L183-Y354 HydrophobicContact CG-CE2 3.89Å; L183-Y354 WeakPolarHBondContact CG-OH 3.47Å; V350-Y354 VanDerWaalsContact O-CB 3.31Å; V350-Y354 WeakPolarHBondContact O-CB 3.24Å; V350-Y354 PolarHBondContact O-N 3.05Å; L351-Y354 PolarHBondContact O-N 3.49Å; Y354-P356 VanDerWaalsContact C-N 3.31Å; Y354-P356 WeakPolarHBondContact O-CD 3.22Å; Y354-A357 HydrophobicContact CD2-CB 4.14Å; Y354-A357 HydrophobicContact CE2-CB 3.8Å; Y354-A357 WeakPolarHBondContact O-CA 3.44Å; Y354-A357 WeakPolarHBondContact O-CB 3.37Å; Y354-A357 PolarHBondContact O-N 3.26Å; Y354-Y393 HydrophobicContact CE2-CD1 4.02Å; Y354-Y393 HydrophobicContact CE2-CE1 4.38Å
355	F	91.7	Very high	89.2	Confident	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-51	-36.1	-171	-176.5	-96	0	0	0	115.6	I189 L351 A357 A358 T359 F529 M530 Y533	I189-F355 HydrophobicContact CB-CE2 4.42Å; I189-F355 HydrophobicContact CD1-CE2 4.32Å; I189-F355 HydrophobicContact CG2-CE2 4.07Å; I189-F355 HydrophobicContact CG2-CZ 4.29Å; L351-F355 VanDerWaalsContact O-CB 3.25Å; L351-F355 WeakPolarHBondContact O-CB 3.43Å; L351-F355 PolarHBondContact O-N 3.47Å; F355-A357 PolarHBondContact O-N 3.47Å; F355-A357 VanDerWaalsContact O-N 3.11Å; F355-A358 PolarHBondContact O-N 3.48Å; F355-T359 HydrophobicContact CD1-CG2 4.12Å; F355-T359 HydrophobicContact CE1-CG2 3.94Å; F355-F529 HydrophobicContact CE1-CB 4.02Å; F355-M530 HydrophobicContact CB-CE 4.25Å; F355-M530 HydrophobicContact CD1-CE 3.93Å; F355-M530 HydrophobicContact CD1-CG 4.23Å; F355-M530 HydrophobicContact CD2-CE 3.42Å; F355-M530 VanDerWaalsContact CD2-CE 3.42Å; F355-M530 HydrophobicContact CE1-CE 4.07Å; F355-M530 HydrophobicContact CE1-CG 3.56Å; F355-M530 HydrophobicContact CE2-CE 3.58Å; F355-M530 HydrophobicContact CE2-CG 4.11Å; F355-M530 HydrophobicContact CG-CE 3.59Å; F355-M530 HydrophobicContact CZ-CE 3.89Å; F355-M530 HydrophobicContact CZ-CG 3.48Å; F355-M530 VanDerWaalsContact CZ-CG 3.48Å; F355-Y533 HydrophobicContact CE1-CE2 4.17Å; F355-Y533 AromaticContact CZ-CD2 3.96Å; F355-Y533 HydrophobicContact CZ-CD2 3.96Å; F355-Y533 AromaticContact CZ-CE2 3.82Å; F355-Y533 HydrophobicContact CZ-CE2 3.82Å
356	P	89.4	Confident	88.9	Confident	8 Å²	8	12.5 Å²	12.5	5%	0.052	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-55.1	-27.4	173.2	-26.1	37.7	0	0	0	113.6	M162 A352 V353 Y354 A358 T359 A522 I525 S526	M162-P356 HydrophobicContact CE-CB 4.12Å; M162-P356 HydrophobicContact CE-CG 4.26Å; A352-P356 WeakPolarHBondContact O-CD 3.28Å; V353-P356 VanDerWaalsContact O-CD 3.32Å; V353-P356 WeakPolarHBondContact O-CD 3.07Å; Y354-P356 VanDerWaalsContact C-N 3.31Å; Y354-P356 WeakPolarHBondContact O-CD 3.22Å; P356-A358 VanDerWaalsContact C-N 3.27Å; P356-A358 PolarHBondContact O-N 3.15Å; P356-T359 PolarHBondContact O-N 3.22Å; P356-T359 PolarHBondContact O-OG1 3.06Å; P356-A522 HydrophobicContact CG-CB 4.26Å; P356-I525 HydrophobicContact CB-CG2 4.17Å; P356-I525 HydrophobicContact CG-CB 4.42Å; P356-I525 HydrophobicContact CG-CG2 4.03Å; P356-S526 VanDerWaalsContact CD-OG 3.3Å; P356-S526 WeakPolarHBondContact CD-OG 3.3Å
357	A	90.1	Very high	88.3	Confident	2 Å²	2	9.7 Å²	9.7	2%	0.017	6%	0.06	C	C	.	.	G	3₁₀ helix	trans	-63	-29.6	174.8	0	0	0	0	0	113.5	I158 M162 Y354 F355 Y393	I158-A357 WeakPolarHBondContact CG2-O 3.23Å; M162-A357 HydrophobicContact CB-CB 3.52Å; M162-A357 HydrophobicContact CG-CB 4.06Å; Y354-A357 HydrophobicContact CD2-CB 4.14Å; Y354-A357 HydrophobicContact CE2-CB 3.8Å; Y354-A357 WeakPolarHBondContact O-CA 3.44Å; Y354-A357 WeakPolarHBondContact O-CB 3.37Å; Y354-A357 PolarHBondContact O-N 3.26Å; F355-A357 PolarHBondContact O-N 3.47Å; F355-A357 VanDerWaalsContact O-N 3.11Å; A357-Y393 HydrophobicContact CB-CE1 3.91Å
358	A	90.7	Very high	87.7	Confident	8 Å²	8	7.7 Å²	7.7	7%	0.066	5%	0.051	C	C	.	.	G	3₁₀ helix	trans	-88.7	-6.9	178.8	0	0	0	0	0	112.5	V190 F355 P356	V190-A358 HydrophobicContact CG2-CB 3.89Å; V190-A358 WeakPolarHBondContact CG2-O 3.35Å; F355-A358 PolarHBondContact O-N 3.48Å; P356-A358 VanDerWaalsContact C-N 3.27Å; P356-A358 PolarHBondContact O-N 3.15Å
359	T	90.9	Very high	86.9	Confident	0 Å²	0	8.2 Å²	8.2	0%	0	6%	0.058	C	C	.	.			trans	-78.7	179.1	-179.8	72	0	0	0	0	111.8	I158 F355 P356 F361 F529 Y533	I158-T359 VanDerWaalsContact CG1-O 3.31Å; I158-T359 WeakPolarHBondContact CG1-O 3.41Å; F355-T359 HydrophobicContact CD1-CG2 4.12Å; F355-T359 HydrophobicContact CE1-CG2 3.94Å; P356-T359 PolarHBondContact O-N 3.22Å; P356-T359 PolarHBondContact O-OG1 3.06Å; T359-F361 PolarHBondContact O-N 2.77Å; T359-F529 HydrophobicContact CG2-CB 4.05Å; T359-F529 HydrophobicContact CG2-CD1 4.49Å; T359-F529 HydrophobicContact CG2-CD2 3.78Å; T359-F529 HydrophobicContact CG2-CE2 4.33Å; T359-F529 HydrophobicContact CG2-CG 3.87Å; T359-Y533 HydrophobicContact CG2-CE2 4.49Å
360	G	85.6	Confident	86.3	Confident	8 Å²	8	11.2 Å²	11.2	8%	0.082	7%	0.072	C	C	.	.			trans	90.1	-6.5	175.4	0	0	0	0	0	116.2	N157 L362 A363	N157-G360 WeakPolarHBondContact ND2-CA 3.13Å; N157-G360 PolarHBondContact ND2-O 2.96Å; N157-G360 VanDerWaalsContact ND2-O 3.15Å; G360-L362 PolarHBondContact O-N 3.28Å; G360-A363 WeakPolarHBondContact O-CB 3.34Å; G360-A363 PolarHBondContact O-N 3Å; G360-A363 VanDerWaalsContact O-N 3.08Å
361	F	90.8	Very high	85.8	Confident	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-16.1	177.4	77.4	-90.4	0	0	0	115	C154 I158 V190 T193 A194 T359 A363 T382 V386 Y533	C154-F361 PolarHBondContact SG-O 2.79Å; I158-F361 HydrophobicContact CD1-CB 4.03Å; I158-F361 HydrophobicContact CG1-CB 4.42Å; V190-F361 HydrophobicContact CG1-CB 4.34Å; V190-F361 HydrophobicContact CG1-CD1 3.45Å; V190-F361 VanDerWaalsContact CG1-CD1 3.45Å; V190-F361 HydrophobicContact CG1-CE1 3.84Å; V190-F361 HydrophobicContact CG1-CG 3.95Å; V190-F361 HydrophobicContact CG2-CE1 4.5Å; T193-F361 HydrophobicContact CG2-CZ 3.84Å; A194-F361 HydrophobicContact CB-CD2 4.31Å; A194-F361 HydrophobicContact CB-CE2 4.2Å; T359-F361 PolarHBondContact O-N 2.77Å; F361-A363 VanDerWaalsContact C-N 3.29Å; F361-T382 HydrophobicContact CB-CG2 4.27Å; F361-T382 HydrophobicContact CD2-CG2 3.59Å; F361-T382 HydrophobicContact CE2-CG2 4.44Å; F361-T382 HydrophobicContact CG-CG2 4.38Å; F361-V386 HydrophobicContact CB-CG2 3.74Å; F361-V386 HydrophobicContact CG-CG2 4.38Å; F361-Y533 HydrophobicContact CE1-CD1 4.4Å; F361-Y533 AromaticContact CE1-CE1 3.69Å; F361-Y533 HydrophobicContact CE1-CE1 3.69Å; F361-Y533 HydrophobicContact CE1-CE2 4.14Å; F361-Y533 AromaticContact CE1-CZ 3.54Å; F361-Y533 HydrophobicContact CZ-CD1 4.5Å; F361-Y533 HydrophobicContact CZ-CE1 4.08Å
362	L	87	Confident	85.3	Confident	4 Å²	4	17.5 Å²	17.5	2%	0.021	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-4.9	177.2	-69	170.5	0	0	0	113.3	M197 T211 F231 G360 G364 A365 N366 Y533 I536	M197-L362 HydrophobicContact CB-CD2 4.47Å; M197-L362 HydrophobicContact CE-CD2 4.16Å; M197-L362 HydrophobicContact CG-CD2 3.74Å; M197-L362 HydrophobicContact SD-CD2 4.06Å; T211-L362 HydrophobicContact CG2-CD2 4.33Å; F231-L362 HydrophobicContact CD2-CD1 4.27Å; F231-L362 HydrophobicContact CE2-CB 4.39Å; F231-L362 HydrophobicContact CE2-CD1 3.51Å; F231-L362 HydrophobicContact CZ-CB 3.99Å; F231-L362 HydrophobicContact CZ-CD1 3.84Å; G360-L362 PolarHBondContact O-N 3.28Å; L362-G364 VanDerWaalsContact C-N 3.3Å; L362-G364 PolarHBondContact O-N 3.11Å; L362-A365 PolarHBondContact O-N 3.27Å; L362-A365 VanDerWaalsContact O-N 3.08Å; L362-N366 PolarHBondContact O-N 2.68Å; L362-Y533 HydrophobicContact CD1-CE1 4.05Å; L362-I536 HydrophobicContact CD1-CD1 4.47Å
363	A	83.6	Confident	85	Confident	14 Å²	14	21.3 Å²	21.3	12%	0.116	12%	0.117	C	C	.	.	H	α-helix	trans	-58	-39.6	-179.7	0	0	0	0	0	113.1	N157 G360 F361 A365 N366	N157-A363 HydrophobicContact CB-CB 3.86Å; G360-A363 WeakPolarHBondContact O-CB 3.34Å; G360-A363 PolarHBondContact O-N 3Å; G360-A363 VanDerWaalsContact O-N 3.08Å; F361-A363 VanDerWaalsContact C-N 3.29Å; A363-A365 VanDerWaalsContact C-N 3.31Å; A363-A365 PolarHBondContact O-N 2.87Å; A363-N366 WeakPolarHBondContact O-CB 3.38Å; A363-N366 PolarHBondContact O-N 3.09Å
364	G	80.5	Confident	84.8	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-66.7	-29.7	177	0	0	0	0	0	113.7	L362	L362-G364 VanDerWaalsContact C-N 3.3Å; L362-G364 PolarHBondContact O-N 3.11Å
365	A	85.1	Confident	84.6	Confident	1 Å²	1	25.5 Å²	25.5	1%	0.008	14%	0.137	C	C	.	.	H	α-helix	trans	-77.4	-22.3	176.7	0	0	0	0	0	112.8	M197 G210 T211 L362 A363 I367 S368 I378	M197-A365 HydrophobicContact CE-CB 3.65Å; G210-A365 CarbonylContact C-O 3.59Å; T211-A365 PolarHBondContact N-O 2.89Å; T211-A365 VanDerWaalsContact OG1-CB 3.26Å; T211-A365 WeakPolarHBondContact OG1-CB 3.47Å; T211-A365 PolarHBondContact OG1-O 2.77Å; L362-A365 PolarHBondContact O-N 3.27Å; L362-A365 VanDerWaalsContact O-N 3.08Å; A363-A365 VanDerWaalsContact C-N 3.31Å; A363-A365 PolarHBondContact O-N 2.87Å; A365-I367 PolarHBondContact O-N 2.82Å; A365-S368 WeakPolarHBondContact O-CB 3.38Å; A365-S368 PolarHBondContact O-N 3.09Å; A365-S368 PolarHBondContact O-OG 2.96Å; A365-I378 HydrophobicContact CB-CD1 4.4Å; A365-I378 HydrophobicContact CB-CG2 4.17Å
366	N	82.9	Confident	84.4	Confident	43 Å²	43	33.2 Å²	33.2	23%	0.23	17%	0.166	C	C	.	.	H	α-helix	trans	-65	-23.4	178.6	-76	-17.8	0	0	0	113.4	G210 T211 L362 A363 S468	G210-N366 VanDerWaalsContact CA-O 3.29Å; G210-N366 WeakPolarHBondContact CA-O 3.34Å; T211-N366 WeakPolarHBondContact CB-OD1 3.41Å; T211-N366 PolarHBondContact OG1-N 2.98Å; T211-N366 VanDerWaalsContact OG1-N 3.13Å; T211-N366 PolarHBondContact OG1-OD1 2.81Å; L362-N366 PolarHBondContact O-N 2.68Å; A363-N366 WeakPolarHBondContact O-CB 3.38Å; A363-N366 PolarHBondContact O-N 3.09Å; N366-S468 PolarHBondContact ND2-OG 3.22Å
367	I	77.7	Confident	84.5	Confident	22 Å²	22	33.1 Å²	33.1	11%	0.113	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	29.9	179.7	62.8	126.8	0	0	0	113.2	L144 G149 R153 A365 G369 D370 L371	L144-I367 HydrophobicContact CD1-CD1 4.13Å; G149-I367 VanDerWaalsContact O-CD1 3.26Å; G149-I367 WeakPolarHBondContact O-CD1 3.33Å; R153-I367 VanDerWaalsContact NH1-CG1 3.34Å; A365-I367 PolarHBondContact O-N 2.82Å; I367-G369 PolarHBondContact O-N 3.42Å; I367-D370 PolarHBondContact O-N 3.1Å; I367-L371 HydrophobicContact CD1-CD2 4.12Å; I367-L371 HydrophobicContact CD1-CG 4.48Å
368	S	80.1	Confident	84.5	Confident	2 Å²	2	33.1 Å²	33.1	1%	0.014	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-54.9	-22.4	-179.5	61.4	0	0	0	0	115.2	G210 A365 D370	G210-S368 WeakPolarHBondContact CA-OG 3.46Å; G210-S368 PolarHBondContact N-OG 2.81Å; A365-S368 WeakPolarHBondContact O-CB 3.38Å; A365-S368 PolarHBondContact O-N 3.09Å; A365-S368 PolarHBondContact O-OG 2.96Å; S368-D370 VanDerWaalsContact C-N 3.34Å
369	G	73	Confident	84.6	Confident	25 Å²	25	33 Å²	33	26%	0.258	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-71.1	-25.5	175.5	0	0	0	0	0	115.3	I367	I367-G369 PolarHBondContact O-N 3.42Å
370	D	75.8	Confident	84.7	Confident	92 Å²	92	38.9 Å²	38.9	49%	0.492	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-96.4	-2.2	-174.7	-58.9	-38.9	0	0	0	112.1	K143 L144 I367 S368	K143-D370 CarbonylContact C-O 3.5Å; K143-D370 WeakPolarHBondContact CA-O 3.47Å; K143-D370 WeakPolarHBondContact CB-O 3.38Å; L144-D370 WeakPolarHBondContact CB-O 3.33Å; L144-D370 HydrophobicContact CD1-CB 4.09Å; L144-D370 PolarHBondContact N-O 3.46Å; I367-D370 PolarHBondContact O-N 3.1Å; S368-D370 VanDerWaalsContact C-N 3.34Å
371	L	83.1	Confident	85	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-88.5	137.7	-179.5	-62	175.6	0	0	0	112	K143 L144 V150 I367 E373 P374 A377 I378	K143-L371 WeakPolarHBondContact CD-O 3.41Å; L144-L371 HydrophobicContact CB-CD2 4.26Å; L144-L371 WeakPolarHBondContact O-CA 3.44Å; V150-L371 HydrophobicContact CG2-CD1 3.48Å; V150-L371 VanDerWaalsContact CG2-CD1 3.48Å; V150-L371 HydrophobicContact CG2-CD2 3.79Å; V150-L371 HydrophobicContact CG2-CG 4.31Å; I367-L371 HydrophobicContact CD1-CD2 4.12Å; I367-L371 HydrophobicContact CD1-CG 4.48Å; L371-E373 PolarHBondContact O-N 2.94Å; L371-P374 HydrophobicContact CB-CB 4.08Å; L371-P374 HydrophobicContact CD1-CB 4.18Å; L371-A377 HydrophobicContact CD1-CB 4.22Å; L371-I378 HydrophobicContact CD1-CD1 4.13Å; L371-I378 HydrophobicContact CD1-CG1 3.65Å
372	K	80.8	Confident	85.2	Confident	132 Å²	132	38.7 Å²	38.7	57%	0.574	19%	0.187	S	C	*	.	S	Bend	trans	-57.9	-50.4	178.3	-171	-177.4	173.3	-174	0	112	K143 L144	K143-K372 VanDerWaalsContact CB-CA 3.46Å; K143-K372 HydrophobicContact CB-CB 3.94Å; K143-K372 VanDerWaalsContact CB-N 3.33Å; L144-K372 PolarHBondContact O-N 3.41Å
373	E	84.6	Confident	85.5	Confident	81 Å²	81	40.1 Å²	40.1	38%	0.379	19%	0.194	S	C	.	.	S	Bend	trans	-134.5	78.7	-179.2	-73.1	169.5	-130.8	0	0	108.7	L371 E375 R376 A377	L371-E373 PolarHBondContact O-N 2.94Å; E373-E375 VanDerWaalsContact C-N 3.25Å; E373-E375 PolarHBondContact O-N 3.3Å; E373-R376 PolarHBondContact O-N 2.88Å; E373-R376 IonicContact OE2-NH1 3.46Å; E373-A377 WeakPolarHBondContact O-CB 3.33Å; E373-A377 PolarHBondContact O-N 3.08Å
374	P	85.7	Confident	86	Confident	12 Å²	12	42.7 Å²	42.7	8%	0.078	21%	0.206	C	C	.	.	H	α-helix	trans	-60.2	-34.9	-173.1	24.6	-35.3	0	0	0	112.7	I206 L371 R376 A377 I378	I206-P374 HydrophobicContact CB-CB 4.09Å; I206-P374 HydrophobicContact CB-CG 3.71Å; I206-P374 HydrophobicContact CD1-CB 3.76Å; I206-P374 HydrophobicContact CD1-CG 4.12Å; I206-P374 HydrophobicContact CG1-CG 4.46Å; I206-P374 HydrophobicContact CG2-CB 4.15Å; I206-P374 HydrophobicContact CG2-CG 4.1Å; L371-P374 HydrophobicContact CB-CB 4.08Å; L371-P374 HydrophobicContact CD1-CB 4.18Å; P374-R376 VanDerWaalsContact C-N 3.27Å; P374-R376 PolarHBondContact O-N 2.75Å; P374-A377 PolarHBondContact O-N 3.42Å; P374-I378 HydrophobicContact CB-CD1 4.09Å; P374-I378 WeakPolarHBondContact O-CB 3.43Å; P374-I378 VanDerWaalsContact O-CG1 3.31Å; P374-I378 WeakPolarHBondContact O-CG1 3.32Å; P374-I378 PolarHBondContact O-N 2.54Å
375	E	86.6	Confident	86.6	Confident	82 Å²	82	42.7 Å²	42.7	38%	0.383	21%	0.206	S	C	.	.	H	α-helix	trans	-62.2	-28.4	179.8	61	-164.2	-169.2	0	0	113.8	T202 E373 P379	T202-E375 WeakPolarHBondContact CG2-O 3.43Å; E373-E375 VanDerWaalsContact C-N 3.25Å; E373-E375 PolarHBondContact O-N 3.3Å; E375-P379 WeakPolarHBondContact O-CD 3.49Å; E375-P379 WeakPolarHBondContact O-CG 3.41Å
376	R	88.2	Confident	87	Confident	162 Å²	162	42.8 Å²	42.8	61%	0.611	21%	0.206	S	C	*	.	H	α-helix	trans	-100.7	-35.1	174.8	-72.4	178.7	172.3	-178	-3.2	112.6	E373 P374 K380	E373-R376 PolarHBondContact O-N 2.88Å; E373-R376 IonicContact OE2-NH1 3.46Å; P374-R376 VanDerWaalsContact C-N 3.27Å; P374-R376 PolarHBondContact O-N 2.75Å; R376-K380 WeakPolarHBondContact O-CG 3.44Å; R376-K380 PolarHBondContact O-N 2.98Å
377	A	90.8	Very high	87.5	Confident	6 Å²	6	43.6 Å²	43.6	5%	0.05	21%	0.213	C	C	.	.	H	α-helix	trans	-69	-43.9	-175.6	0	0	0	0	0	112.6	W146 V150 L371 E373 P374 G381	W146-A377 HydrophobicContact CB-CB 3.49Å; W146-A377 VanDerWaalsContact CB-CB 3.49Å; V150-A377 HydrophobicContact CG2-CB 4.14Å; L371-A377 HydrophobicContact CD1-CB 4.22Å; E373-A377 WeakPolarHBondContact O-CB 3.33Å; E373-A377 PolarHBondContact O-N 3.08Å; P374-A377 PolarHBondContact O-N 3.42Å; A377-G381 PolarHBondContact O-N 3.27Å
378	I	91.4	Very high	88.3	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-65.8	-53.5	-176.2	-61.4	167.1	0	0	0	111	V150 C201 I206 I214 A365 L371 P374 K380 G381 T382	V150-I378 HydrophobicContact CG2-CG1 4.21Å; C201-I378 HydrophobicContact CB-CG2 4.47Å; I206-I378 HydrophobicContact CD1-CD1 4.11Å; I214-I378 HydrophobicContact CD1-CD1 4.27Å; A365-I378 HydrophobicContact CB-CD1 4.4Å; A365-I378 HydrophobicContact CB-CG2 4.17Å; L371-I378 HydrophobicContact CD1-CD1 4.13Å; L371-I378 HydrophobicContact CD1-CG1 3.65Å; P374-I378 HydrophobicContact CB-CD1 4.09Å; P374-I378 WeakPolarHBondContact O-CB 3.43Å; P374-I378 VanDerWaalsContact O-CG1 3.31Å; P374-I378 WeakPolarHBondContact O-CG1 3.32Å; P374-I378 PolarHBondContact O-N 2.54Å; I378-K380 VanDerWaalsContact C-N 3.34Å; I378-K380 PolarHBondContact O-N 2.95Å; I378-G381 PolarHBondContact O-N 2.77Å; I378-T382 VanDerWaalsContact O-CB 3.26Å; I378-T382 WeakPolarHBondContact O-CB 3.21Å; I378-T382 PolarHBondContact O-N 2.85Å; I378-T382 PolarHBondContact O-OG1 3.24Å; I378-T382 VanDerWaalsContact O-OG1 3.13Å
379	P	92.8	Very high	88.9	Confident	7 Å²	7	46.6 Å²	46.6	5%	0.045	23%	0.228	C	C	.	.	H	α-helix	trans	-58	-44	179.6	-26.6	36.5	0	0	0	113.3	S198 T202 E375 I383 F555	S198-P379 WeakPolarHBondContact OG-CA 3.37Å; T202-P379 HydrophobicContact CG2-CG 4.16Å; E375-P379 WeakPolarHBondContact O-CD 3.49Å; E375-P379 WeakPolarHBondContact O-CG 3.41Å; P379-I383 WeakPolarHBondContact O-CB 3.36Å; P379-I383 VanDerWaalsContact O-CG1 3.26Å; P379-I383 WeakPolarHBondContact O-CG1 3.19Å; P379-I383 PolarHBondContact O-N 3.39Å; P379-I383 VanDerWaalsContact O-N 3.12Å; P379-F555 HydrophobicContact CB-CD2 4.21Å; P379-F555 HydrophobicContact CB-CE2 4Å
380	K	92.5	Very high	89.9	Confident	123 Å²	123	46.4 Å²	46.4	54%	0.535	22%	0.223	S	C	.	.	H	α-helix	trans	-65	-52.6	179.3	-73.2	-174.5	176.3	-171.6	0	111.8	W146 R376 I378 I384	W146-K380 HydrophobicContact CE3-CB 4.38Å; R376-K380 WeakPolarHBondContact O-CG 3.44Å; R376-K380 PolarHBondContact O-N 2.98Å; I378-K380 VanDerWaalsContact C-N 3.34Å; I378-K380 PolarHBondContact O-N 2.95Å; K380-I384 VanDerWaalsContact O-CB 3.3Å; K380-I384 WeakPolarHBondContact O-CB 3.26Å; K380-I384 WeakPolarHBondContact O-CD1 3.48Å; K380-I384 VanDerWaalsContact O-CG1 3.23Å; K380-I384 WeakPolarHBondContact O-CG1 3.35Å; K380-I384 PolarHBondContact O-N 3.37Å; K380-I384 VanDerWaalsContact O-N 3.14Å
381	G	92.7	Very high	90.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66.1	-39.5	-176	0	0	0	0	0	112.9	L151 A377 I378 G385	L151-G381 WeakPolarHBondContact CD1-O 3.05Å; A377-G381 PolarHBondContact O-N 3.27Å; I378-G381 PolarHBondContact O-N 2.77Å; G381-G385 WeakPolarHBondContact O-CA 3.05Å; G381-G385 PolarHBondContact O-N 3.08Å
382	T	93.5	Very high	91.3	Very high	4 Å²	4	48.5 Å²	48.5	3%	0.025	23%	0.233	C	C	.	.	H	α-helix	trans	-71.2	-47.9	180	-63.8	0	0	0	0	112.3	A194 F361 I378 G385 V386	A194-T382 HydrophobicContact CB-CG2 3.94Å; F361-T382 HydrophobicContact CB-CG2 4.27Å; F361-T382 HydrophobicContact CD2-CG2 3.59Å; F361-T382 HydrophobicContact CE2-CG2 4.44Å; F361-T382 HydrophobicContact CG-CG2 4.38Å; I378-T382 VanDerWaalsContact O-CB 3.26Å; I378-T382 WeakPolarHBondContact O-CB 3.21Å; I378-T382 PolarHBondContact O-N 2.85Å; I378-T382 PolarHBondContact O-OG1 3.24Å; I378-T382 VanDerWaalsContact O-OG1 3.13Å; T382-G385 PolarHBondContact O-N 3.22Å; T382-V386 WeakPolarHBondContact O-CG2 3.3Å; T382-V386 PolarHBondContact O-N 3.12Å
383	I	93.8	Very high	91.9	Very high	33 Å²	33	42.4 Å²	42.4	17%	0.169	21%	0.206	C	C	.	.	H	α-helix	trans	-64.6	-48.7	-178.5	-68.2	172.3	0	0	0	110.5	F191 L195 P379 G385 V386 T387 F555	F191-I383 HydrophobicContact CE2-CG2 3.92Å; L195-I383 HydrophobicContact CD2-CD1 4.02Å; P379-I383 WeakPolarHBondContact O-CB 3.36Å; P379-I383 VanDerWaalsContact O-CG1 3.26Å; P379-I383 WeakPolarHBondContact O-CG1 3.19Å; P379-I383 PolarHBondContact O-N 3.39Å; P379-I383 VanDerWaalsContact O-N 3.12Å; I383-G385 VanDerWaalsContact C-N 3.3Å; I383-G385 PolarHBondContact O-N 2.85Å; I383-V386 PolarHBondContact O-N 3.47Å; I383-T387 PolarHBondContact O-N 3.5Å; I383-T387 PolarHBondContact O-OG1 2.96Å; I383-T387 VanDerWaalsContact O-OG1 3.05Å; I383-F555 HydrophobicContact CD1-CE1 4.26Å; I383-F555 HydrophobicContact CD1-CE2 4.23Å; I383-F555 HydrophobicContact CD1-CZ 3.49Å; I383-F555 VanDerWaalsContact CD1-CZ 3.49Å
384	I	94.2	Very high	92.4	Very high	68 Å²	68	40.4 Å²	40.4	35%	0.349	20%	0.198	S	C	.	.	H	α-helix	trans	-61.7	-42	177.5	-65.1	170.7	0	0	0	110.2	W146 L151 K380 T387 I388	W146-I384 HydrophobicContact CH2-CD1 4.27Å; W146-I384 HydrophobicContact CZ3-CD1 4.08Å; L151-I384 HydrophobicContact CD1-CB 4.15Å; L151-I384 HydrophobicContact CD1-CG2 3.87Å; K380-I384 VanDerWaalsContact O-CB 3.3Å; K380-I384 WeakPolarHBondContact O-CB 3.26Å; K380-I384 WeakPolarHBondContact O-CD1 3.48Å; K380-I384 VanDerWaalsContact O-CG1 3.23Å; K380-I384 WeakPolarHBondContact O-CG1 3.35Å; K380-I384 PolarHBondContact O-N 3.37Å; K380-I384 VanDerWaalsContact O-N 3.14Å; I384-T387 PolarHBondContact O-N 3.25Å; I384-I388 HydrophobicContact CG2-CD1 3.58Å; I384-I388 HydrophobicContact CG2-CG1 4.18Å; I384-I388 WeakPolarHBondContact O-CB 3.41Å; I384-I388 VanDerWaalsContact O-CG1 3.29Å; I384-I388 WeakPolarHBondContact O-CG1 3.2Å; I384-I388 PolarHBondContact O-N 3.41Å
385	G	92.7	Very high	92.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-58.5	-51.7	177.8	0	0	0	0	0	112.5	G381 T382 I383 T387 I388 T389	G381-G385 WeakPolarHBondContact O-CA 3.05Å; G381-G385 PolarHBondContact O-N 3.08Å; T382-G385 PolarHBondContact O-N 3.22Å; I383-G385 VanDerWaalsContact C-N 3.3Å; I383-G385 PolarHBondContact O-N 2.85Å; G385-T387 VanDerWaalsContact C-N 3.35Å; G385-T387 PolarHBondContact O-N 3.04Å; G385-I388 PolarHBondContact O-N 3.33Å; G385-T389 WeakPolarHBondContact O-CG2 3.36Å; G385-T389 PolarHBondContact O-N 3.43Å; G385-T389 PolarHBondContact O-OG1 3.28Å
386	V	94	Very high	93.2	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.024	19%	0.187	C	C	.	.	H	α-helix	trans	-58.6	-46.5	177.2	171.4	0	0	0	0	110.7	I158 V190 F361 T382 I383 T389 S390	I158-V386 HydrophobicContact CD1-CG2 4.15Å; V190-V386 HydrophobicContact CG1-CG1 4.01Å; V190-V386 HydrophobicContact CG1-CG2 3.86Å; F361-V386 HydrophobicContact CB-CG2 3.74Å; F361-V386 HydrophobicContact CG-CG2 4.38Å; T382-V386 WeakPolarHBondContact O-CG2 3.3Å; T382-V386 PolarHBondContact O-N 3.12Å; I383-V386 PolarHBondContact O-N 3.47Å; V386-T389 WeakPolarHBondContact CA-OG1 3.35Å; V386-T389 PolarHBondContact O-N 3Å; V386-T389 PolarHBondContact O-OG1 3.06Å; V386-S390 WeakPolarHBondContact O-CB 3.27Å; V386-S390 PolarHBondContact O-N 3.29Å; V386-S390 PolarHBondContact O-OG 3.2Å; V386-S390 VanDerWaalsContact O-OG 3.07Å
387	T	93.9	Very high	93.5	Very high	60 Å²	60	29.6 Å²	29.6	37%	0.368	16%	0.158	S	C	.	.	H	α-helix	trans	-61.7	-46.8	179.4	-58.9	0	0	0	0	112.4	I383 I384 G385 T389 S390 I391	I383-T387 PolarHBondContact O-N 3.5Å; I383-T387 PolarHBondContact O-OG1 2.96Å; I383-T387 VanDerWaalsContact O-OG1 3.05Å; I384-T387 PolarHBondContact O-N 3.25Å; G385-T387 VanDerWaalsContact C-N 3.35Å; G385-T387 PolarHBondContact O-N 3.04Å; T387-T389 VanDerWaalsContact C-N 3.32Å; T387-T389 PolarHBondContact O-N 3.03Å; T387-S390 PolarHBondContact O-N 3.33Å; T387-I391 HydrophobicContact CG2-CD1 3.99Å; T387-I391 WeakPolarHBondContact O-CG1 3.47Å; T387-I391 PolarHBondContact O-N 2.98Å; T387-I391 VanDerWaalsContact O-N 3.1Å
388	I	93.5	Very high	93.7	Very high	83 Å²	83	34.1 Å²	34.1	43%	0.426	17%	0.174	S	C	.	.	H	α-helix	trans	-59.5	-46.3	177.8	-71.3	171.6	0	0	0	110.2	L151 I384 G385 I391 L392	L151-I388 HydrophobicContact CD1-CD1 4.48Å; I384-I388 HydrophobicContact CG2-CD1 3.58Å; I384-I388 HydrophobicContact CG2-CG1 4.18Å; I384-I388 WeakPolarHBondContact O-CB 3.41Å; I384-I388 VanDerWaalsContact O-CG1 3.29Å; I384-I388 WeakPolarHBondContact O-CG1 3.2Å; I384-I388 PolarHBondContact O-N 3.41Å; G385-I388 PolarHBondContact O-N 3.33Å; I388-I391 PolarHBondContact O-N 3.39Å; I388-L392 WeakPolarHBondContact O-CB 3.33Å; I388-L392 PolarHBondContact O-N 2.87Å
389	T	93.2	Very high	93.8	Very high	4 Å²	4	37.6 Å²	37.6	3%	0.025	19%	0.189	C	C	.	.	H	α-helix	trans	-65.9	-44.9	-179.7	51	0	0	0	0	111.5	V155 I158 I159 G385 V386 T387 I391 L392 Y393	V155-T389 HydrophobicContact CG1-CG2 4.29Å; V155-T389 HydrophobicContact CG2-CG2 4.35Å; I158-T389 HydrophobicContact CB-CG2 3.97Å; I158-T389 HydrophobicContact CD1-CG2 4.21Å; I158-T389 HydrophobicContact CG2-CG2 3.75Å; I159-T389 HydrophobicContact CG1-CG2 4.12Å; G385-T389 WeakPolarHBondContact O-CG2 3.36Å; G385-T389 PolarHBondContact O-N 3.43Å; G385-T389 PolarHBondContact O-OG1 3.28Å; V386-T389 WeakPolarHBondContact CA-OG1 3.35Å; V386-T389 PolarHBondContact O-N 3Å; V386-T389 PolarHBondContact O-OG1 3.06Å; T387-T389 VanDerWaalsContact C-N 3.32Å; T387-T389 PolarHBondContact O-N 3.03Å; T389-I391 VanDerWaalsContact C-N 3.27Å; T389-I391 PolarHBondContact O-N 3.32Å; T389-L392 WeakPolarHBondContact O-CA 3.14Å; T389-L392 WeakPolarHBondContact O-CB 3.23Å; T389-L392 PolarHBondContact O-N 2.97Å; T389-Y393 WeakPolarHBondContact O-CD2 3.46Å; T389-Y393 PolarHBondContact O-N 3.17Å
390	S	93.4	Very high	93.8	Very high	21 Å²	21	37.3 Å²	37.3	15%	0.147	19%	0.187	C	C	.	.	H	α-helix	trans	-58.1	-40.3	178.2	-65.8	0	0	0	0	112.2	S187 V386 T387 L394	S187-S390 VanDerWaalsContact CB-OG 3.28Å; S187-S390 WeakPolarHBondContact CB-OG 3.38Å; S187-S390 PolarHBondContact OG-OG 3.3Å; V386-S390 WeakPolarHBondContact O-CB 3.27Å; V386-S390 PolarHBondContact O-N 3.29Å; V386-S390 PolarHBondContact O-OG 3.2Å; V386-S390 VanDerWaalsContact O-OG 3.07Å; T387-S390 PolarHBondContact O-N 3.33Å; S390-L394 WeakPolarHBondContact O-CG 3.5Å; S390-L394 PolarHBondContact O-N 3.42Å; S390-L394 VanDerWaalsContact O-N 3.08Å
391	I	94.8	Very high	93.8	Very high	109 Å²	109	31.4 Å²	31.4	56%	0.559	16%	0.162	S	C	*	.	H	α-helix	trans	-64.9	-44.6	175	-66.1	166.9	0	0	0	110.6	T387 I388 T389 L394 A395	T387-I391 HydrophobicContact CG2-CD1 3.99Å; T387-I391 WeakPolarHBondContact O-CG1 3.47Å; T387-I391 PolarHBondContact O-N 2.98Å; T387-I391 VanDerWaalsContact O-N 3.1Å; I388-I391 PolarHBondContact O-N 3.39Å; T389-I391 VanDerWaalsContact C-N 3.27Å; T389-I391 PolarHBondContact O-N 3.32Å; I391-L394 PolarHBondContact O-N 3.25Å; I391-A395 WeakPolarHBondContact O-CB 3.06Å; I391-A395 PolarHBondContact O-N 3Å
392	L	93.7	Very high	93.8	Very high	27 Å²	27	32.2 Å²	32.2	14%	0.141	17%	0.167	C	C	.	.	H	α-helix	trans	-59.7	-48.4	177.5	178.1	65.7	0	0	0	111.9	I159 L163 L306 F310 I388 T389 L394 A395 V396	I159-L392 HydrophobicContact CD1-CD2 3.72Å; I159-L392 HydrophobicContact CG1-CD2 4.28Å; L163-L392 HydrophobicContact CD2-CD2 4.34Å; L306-L392 HydrophobicContact CD1-CD2 3.95Å; F310-L392 HydrophobicContact CE2-CD1 3.96Å; F310-L392 HydrophobicContact CZ-CD1 3.74Å; I388-L392 WeakPolarHBondContact O-CB 3.33Å; I388-L392 PolarHBondContact O-N 2.87Å; T389-L392 WeakPolarHBondContact O-CA 3.14Å; T389-L392 WeakPolarHBondContact O-CB 3.23Å; T389-L392 PolarHBondContact O-N 2.97Å; L392-L394 VanDerWaalsContact C-N 3.34Å; L392-L394 PolarHBondContact O-N 3Å; L392-A395 PolarHBondContact O-N 2.98Å; L392-V396 HydrophobicContact CD1-CG2 4.21Å; L392-V396 WeakPolarHBondContact O-CG2 3.4Å; L392-V396 PolarHBondContact O-N 2.72Å
393	Y	93.9	Very high	93.8	Very high	3 Å²	3	32.2 Å²	32.2	1%	0.012	17%	0.166	C	C	.	.	H	α-helix	trans	-61.4	-40.9	178.6	-85.6	-86.6	0	0	0	112	I158 L163 I167 L183 Y354 A357 T389 L397	I158-Y393 HydrophobicContact CG2-CE2 4.12Å; I158-Y393 PolarHBondContact O-OH 3.01Å; L163-Y393 HydrophobicContact CB-CE1 3.64Å; L163-Y393 HydrophobicContact CD1-CD1 3.53Å; L163-Y393 HydrophobicContact CD1-CE1 3.52Å; L163-Y393 HydrophobicContact CD1-CE2 4.49Å; L163-Y393 HydrophobicContact CD1-CG 4.05Å; L163-Y393 HydrophobicContact CG-CE1 4.16Å; I167-Y393 HydrophobicContact CD1-CD1 4.11Å; L183-Y393 WeakPolarHBondContact CD2-O 3.36Å; Y354-Y393 HydrophobicContact CE2-CD1 4.02Å; Y354-Y393 HydrophobicContact CE2-CE1 4.38Å; A357-Y393 HydrophobicContact CB-CE1 3.91Å; T389-Y393 WeakPolarHBondContact O-CD2 3.46Å; T389-Y393 PolarHBondContact O-N 3.17Å; Y393-L397 WeakPolarHBondContact O-CB 3.31Å; Y393-L397 PolarHBondContact O-N 3.28Å
394	L	94.7	Very high	93.7	Very high	39 Å²	39	30.6 Å²	30.6	20%	0.204	16%	0.158	C	C	.	.	H	α-helix	trans	-64.9	-43.4	174.9	-75.1	168.3	0	0	0	111.7	L183 L184 S390 I391 L392 L397 W398	L183-L394 HydrophobicContact CB-CD2 3.94Å; L183-L394 HydrophobicContact CD2-CD2 3.79Å; L183-L394 HydrophobicContact CD2-CG 4.11Å; L184-L394 HydrophobicContact CD2-CD1 3.92Å; L184-L394 HydrophobicContact CG-CD2 4.49Å; S390-L394 WeakPolarHBondContact O-CG 3.5Å; S390-L394 PolarHBondContact O-N 3.42Å; S390-L394 VanDerWaalsContact O-N 3.08Å; I391-L394 PolarHBondContact O-N 3.25Å; L392-L394 VanDerWaalsContact C-N 3.34Å; L392-L394 PolarHBondContact O-N 3Å; L394-L397 PolarHBondContact O-N 3.17Å; L394-W398 VanDerWaalsContact O-CD1 3.24Å; L394-W398 PolarHBondContact O-N 3.3Å
395	A	94.5	Very high	93.7	Very high	28 Å²	28	28.9 Å²	28.9	23%	0.231	15%	0.15	C	C	.	.	H	α-helix	trans	-61.6	-47.3	178.7	0	0	0	0	0	111.6	I391 L392 L397 W398 F399	I391-A395 WeakPolarHBondContact O-CB 3.06Å; I391-A395 PolarHBondContact O-N 3Å; L392-A395 PolarHBondContact O-N 2.98Å; A395-L397 PolarHBondContact O-N 2.8Å; A395-W398 PolarHBondContact O-N 2.9Å; A395-F399 HydrophobicContact CB-CD2 4.43Å; A395-F399 HydrophobicContact CB-CE2 4.09Å; A395-F399 WeakPolarHBondContact O-CB 3.47Å; A395-F399 VanDerWaalsContact O-CD2 3.25Å; A395-F399 WeakPolarHBondContact O-CD2 3.14Å; A395-F399 WeakPolarHBondContact O-CG 3.31Å; A395-F399 PolarHBondContact O-N 3.45Å
396	V	94.1	Very high	93.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.4	-41.3	177.9	175.3	0	0	0	0	111.3	L163 I167 Y309 F310 L392 W398 T400 L440	L163-V396 HydrophobicContact CD1-CB 4.15Å; L163-V396 HydrophobicContact CD1-CG1 4.13Å; L163-V396 HydrophobicContact CD1-CG2 4.16Å; I167-V396 HydrophobicContact CG1-CG1 4.34Å; I167-V396 HydrophobicContact CG2-CG1 3.73Å; Y309-V396 HydrophobicContact CE1-CB 4.47Å; Y309-V396 HydrophobicContact CE1-CG1 4.27Å; Y309-V396 HydrophobicContact CE1-CG2 3.9Å; F310-V396 HydrophobicContact CZ-CG2 4.34Å; L392-V396 HydrophobicContact CD1-CG2 4.21Å; L392-V396 WeakPolarHBondContact O-CG2 3.4Å; L392-V396 PolarHBondContact O-N 2.72Å; V396-W398 PolarHBondContact O-N 3.47Å; V396-T400 WeakPolarHBondContact O-CB 3.48Å; V396-T400 PolarHBondContact O-N 2.88Å; V396-T400 PolarHBondContact O-OG1 3.15Å; V396-L440 HydrophobicContact CG1-CD2 3.98Å
397	L	94.8	Very high	93.5	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-57.3	-50.9	175.1	-177.5	79.1	0	0	0	111.5	I167 V170 A171 L176 L183 Y393 L394 A395 G401	I167-L397 HydrophobicContact CD1-CB 4.26Å; I167-L397 HydrophobicContact CD1-CD1 4.06Å; I167-L397 HydrophobicContact CG1-CB 4.19Å; I167-L397 HydrophobicContact CG1-CD1 4.17Å; V170-L397 HydrophobicContact CG1-CD1 4.25Å; A171-L397 HydrophobicContact CB-CD1 3.7Å; L176-L397 HydrophobicContact CD2-CG 4.3Å; L176-L397 WeakPolarHBondContact CD2-O 3.36Å; L183-L397 HydrophobicContact CD1-CD2 4.41Å; L183-L397 HydrophobicContact CD2-CB 4.08Å; L183-L397 HydrophobicContact CD2-CD2 3.97Å; Y393-L397 WeakPolarHBondContact O-CB 3.31Å; Y393-L397 PolarHBondContact O-N 3.28Å; L394-L397 PolarHBondContact O-N 3.17Å; A395-L397 PolarHBondContact O-N 2.8Å; L397-G401 PolarHBondContact O-N 3.21Å
398	W	94.9	Very high	93.4	Very high	101 Å²	101	28.3 Å²	28.3	38%	0.383	14%	0.141	S	C	.	.	H	α-helix	trans	-67.3	-42.1	-178.1	-85.5	77.1	0	0	0	112.7	S180 L334 L394 A395 V396 T402	S180-W398 PolarHBondContact OG-NE1 3.46Å; L334-W398 HydrophobicContact CD1-CE3 4.42Å; L334-W398 HydrophobicContact CD1-CZ3 4.24Å; L394-W398 VanDerWaalsContact O-CD1 3.24Å; L394-W398 PolarHBondContact O-N 3.3Å; A395-W398 PolarHBondContact O-N 2.9Å; V396-W398 PolarHBondContact O-N 3.47Å; W398-T402 WeakPolarHBondContact O-CB 3.49Å; W398-T402 PolarHBondContact O-N 3.03Å; W398-T402 VanDerWaalsContact O-N 3.07Å; W398-T402 PolarHBondContact O-OG1 3.35Å
399	F	94.1	Very high	93.2	Very high	74 Å²	74	25.2 Å²	25.2	33%	0.325	13%	0.127	S	C	.	.	H	α-helix	trans	-66.2	-55.9	179.5	-65	-27.5	0	0	0	111.4	F310 L313 F329 A395 G401 T402 T403	F310-F399 HydrophobicContact CD1-CD2 4.12Å; F310-F399 HydrophobicContact CD1-CE2 4.07Å; F310-F399 AromaticContact CE1-CD2 3.73Å; F310-F399 HydrophobicContact CE1-CD2 3.73Å; F310-F399 AromaticContact CE1-CE2 3.67Å; F310-F399 HydrophobicContact CE1-CE2 3.67Å; L313-F399 HydrophobicContact CD1-CB 3.62Å; L313-F399 HydrophobicContact CD1-CD2 3.77Å; L313-F399 HydrophobicContact CD1-CG 3.93Å; F329-F399 AromaticContact CE1-CD1 3.82Å; F329-F399 HydrophobicContact CE1-CD1 3.82Å; F329-F399 HydrophobicContact CE1-CE1 4.45Å; F329-F399 HydrophobicContact CE1-CG 4.47Å; F329-F399 HydrophobicContact CZ-CD1 4.02Å; F329-F399 HydrophobicContact CZ-CG 4.4Å; A395-F399 HydrophobicContact CB-CD2 4.43Å; A395-F399 HydrophobicContact CB-CE2 4.09Å; A395-F399 WeakPolarHBondContact O-CB 3.47Å; A395-F399 VanDerWaalsContact O-CD2 3.25Å; A395-F399 WeakPolarHBondContact O-CD2 3.14Å; A395-F399 WeakPolarHBondContact O-CG 3.31Å; A395-F399 PolarHBondContact O-N 3.45Å; F399-G401 VanDerWaalsContact C-N 3.3Å; F399-G401 PolarHBondContact O-N 3.21Å; F399-T402 WeakPolarHBondContact O-CA 3.33Å; F399-T402 WeakPolarHBondContact O-CB 3.07Å; F399-T402 PolarHBondContact O-N 3.11Å; F399-T403 PolarHBondContact O-N 3.05Å; F399-T403 PolarHBondContact O-OG1 2.76Å
400	T	93	Very high	92.9	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.006	14%	0.137	C	C	.	.	H	α-helix	trans	-60.1	-37.6	179.1	-67.3	0	0	0	0	112.5	Y309 V396 T402 T403 C404 I439 E443	Y309-T400 PolarHBondContact OH-OG1 2.73Å; V396-T400 WeakPolarHBondContact O-CB 3.48Å; V396-T400 PolarHBondContact O-N 2.88Å; V396-T400 PolarHBondContact O-OG1 3.15Å; T400-T402 VanDerWaalsContact C-N 3.26Å; T400-T402 PolarHBondContact O-N 3.39Å; T400-T403 WeakPolarHBondContact CA-OG1 3.42Å; T400-T403 PolarHBondContact O-N 2.93Å; T400-T403 PolarHBondContact O-OG1 3.47Å; T400-C404 PolarHBondContact O-N 3.22Å; T400-C404 VanDerWaalsContact O-N 3.16Å; T400-I439 HydrophobicContact CG2-CG2 3.79Å; T400-E443 WeakPolarHBondContact CB-OE2 3.5Å; T400-E443 PolarHBondContact OG1-OE2 3.17Å
401	G	92.9	Very high	92.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-74.2	-11.1	174.8	0	0	0	0	0	114.6	N337 L397 F399	N337-G401 WeakPolarHBondContact CB-O 3.4Å; N337-G401 PolarHBondContact ND2-O 2.83Å; L397-G401 PolarHBondContact O-N 3.21Å; F399-G401 VanDerWaalsContact C-N 3.3Å; F399-G401 PolarHBondContact O-N 3.21Å
402	T	93	Very high	92.1	Very high	17 Å²	17	27.9 Å²	27.9	10%	0.104	15%	0.148	C	C	.	.	H	α-helix	trans	-93.2	-26.8	171.5	-56	0	0	0	0	112	F329 T333 L334 W398 F399 T400	F329-T402 HydrophobicContact CD1-CG2 3.74Å; F329-T402 HydrophobicContact CE1-CG2 4.46Å; T333-T402 WeakPolarHBondContact CG2-O 3.3Å; L334-T402 HydrophobicContact CB-CG2 4.18Å; L334-T402 WeakPolarHBondContact CD1-OG1 3.26Å; W398-T402 WeakPolarHBondContact O-CB 3.49Å; W398-T402 PolarHBondContact O-N 3.03Å; W398-T402 VanDerWaalsContact O-N 3.07Å; W398-T402 PolarHBondContact O-OG1 3.35Å; F399-T402 WeakPolarHBondContact O-CA 3.33Å; F399-T402 WeakPolarHBondContact O-CB 3.07Å; F399-T402 PolarHBondContact O-N 3.11Å; T400-T402 VanDerWaalsContact C-N 3.26Å; T400-T402 PolarHBondContact O-N 3.39Å
403	T	92.8	Very high	91.8	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.018	17%	0.173	C	C	.	.	H	α-helix	trans	-100.6	-13.6	-171.1	48.1	0	0	0	0	115.3	L313 I326 T327 G328 F329 F399 T400 E443	L313-T403 HydrophobicContact CD2-CG2 4.01Å; I326-T403 CarbonylContact C-O 3.6Å; I326-T403 WeakPolarHBondContact CA-O 3.2Å; T327-T403 PolarHBondContact N-O 3.08Å; T327-T403 PolarHBondContact OG1-O 2.76Å; G328-T403 PolarHBondContact N-O 2.58Å; G328-T403 WeakPolarHBondContact O-CA 3.48Å; F329-T403 HydrophobicContact CD1-CG2 4.01Å; F329-T403 HydrophobicContact CD2-CG2 4.26Å; F329-T403 HydrophobicContact CE1-CG2 4.02Å; F329-T403 HydrophobicContact CE2-CG2 4.28Å; F329-T403 HydrophobicContact CG-CG2 4.12Å; F329-T403 HydrophobicContact CZ-CG2 4.16Å; F399-T403 PolarHBondContact O-N 3.05Å; F399-T403 PolarHBondContact O-OG1 2.76Å; T400-T403 WeakPolarHBondContact CA-OG1 3.42Å; T400-T403 PolarHBondContact O-N 2.93Å; T400-T403 PolarHBondContact O-OG1 3.47Å; T403-E443 WeakPolarHBondContact CB-OE1 3.27Å; T403-E443 PolarHBondContact OG1-OE1 2.78Å
404	C	92.6	Very high	91.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-131.2	141.5	-176.7	-171.6	0	0	0	0	112.6	G325 T333 N337 T400 L433 I439	G325-C404 CarbonylContact O-C 3.58Å; G325-C404 WeakPolarHBondContact O-CA 3.33Å; T333-C404 WeakPolarHBondContact CG2-O 3.38Å; N337-C404 PolarHBondContact ND2-O 3.1Å; T400-C404 PolarHBondContact O-N 3.22Å; T400-C404 VanDerWaalsContact O-N 3.16Å; C404-L433 HydrophobicContact CB-CD1 3.45Å; C404-L433 VanDerWaalsContact CB-CD1 3.45Å; C404-L433 WeakPolarHBondContact O-CD1 3.29Å; C404-L433 VanDerWaalsContact SG-CD1 3.53Å; C404-I439 HydrophobicContact CB-CG2 4.16Å
405	L	92.7	Very high	90.9	Very high	32 Å²	32	35.9 Å²	35.9	17%	0.168	19%	0.186	C	C	.	.			trans	-79.3	153	177.6	-67.2	168.4	0	0	0	111.6	G325 T327 T333 D407 L420 G432 L433	G325-L405 PolarHBondContact O-N 2.95Å; T327-L405 HydrophobicContact CG2-CD1 3.79Å; T327-L405 HydrophobicContact CG2-CD2 4.24Å; T327-L405 HydrophobicContact CG2-CG 3.76Å; T333-L405 HydrophobicContact CG2-CD2 4.11Å; L405-D407 VanDerWaalsContact C-N 3.27Å; L405-D407 PolarHBondContact O-N 3.29Å; L405-L420 HydrophobicContact CD1-CD2 4.13Å; L405-G432 VanDerWaalsContact O-CA 3.32Å; L405-G432 WeakPolarHBondContact O-CA 3.37Å; L405-L433 WeakPolarHBondContact O-CD1 3.32Å; L405-L433 PolarHBondContact O-N 3.15Å; L405-L433 VanDerWaalsContact O-N 3.08Å
406	R	91.2	Very high	90.4	Very high	40 Å²	40	40.7 Å²	40.7	15%	0.151	21%	0.208	C	C	.	.	S	Bend	trans	-55.4	-40.6	177.4	-80	-159.5	165.9	110.5	17	114.1	A172 E336 N337 L339 G432 L433 H434	A172-R406 PolarHBondContact O-NE 3.05Å; A172-R406 PolarHBondContact O-NH2 3.18Å; E336-R406 PolarHBondContact O-NH1 2.91Å; N337-R406 VanDerWaalsContact OD1-CG 3.31Å; N337-R406 WeakPolarHBondContact OD1-CG 3.34Å; L339-R406 PolarHBondContact O-NH2 3.5Å; R406-G432 CarbonylContact O-C 3.52Å; R406-G432 WeakPolarHBondContact O-CA 3.22Å; R406-L433 PolarHBondContact O-N 2.95Å; R406-H434 PolarHBondContact O-N 2.85Å; R406-H434 VanDerWaalsContact O-N 3.13Å
407	D	92	Very high	89.9	Confident	11 Å²	11	46 Å²	46	6%	0.059	24%	0.236	C	C	.	.			trans	-141.6	134.9	-171.9	-71.2	-70.5	0	0	0	110.4	R343 L405 A424 C429 N435	R343-D407 IonicContact CZ-OD1 3.53Å; R343-D407 IonicContact CZ-OD2 3.72Å; R343-D407 VanDerWaalsContact CZ-OD2 3.29Å; R343-D407 IonicContact NH1-OD1 2.96Å; R343-D407 PolarHBondContact NH1-OD1 3.45Å; R343-D407 IonicContact NH1-OD2 3.07Å; R343-D407 PolarHBondContact NH1-OD2 3.23Å; R343-D407 VanDerWaalsContact NH1-OD2 3.15Å; R343-D407 IonicContact NH2-OD1 2.97Å; R343-D407 IonicContact NH2-OD2 3.84Å; R343-D407 PolarHBondContact NH2-OD2 3.48Å; L405-D407 VanDerWaalsContact C-N 3.27Å; L405-D407 PolarHBondContact O-N 3.29Å; D407-A424 HydrophobicContact CB-CB 3.91Å; D407-C429 HydrophobicContact CB-CB 4.35Å; D407-N435 PolarHBondContact OD1-ND2 2.87Å
408	A	90.9	Very high	89.3	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-147.9	142.3	174.5	0	0	0	0	0	111.5	Q324 L420 Y431	Q324-A408 VanDerWaalsContact C-CB 3.45Å; Q324-A408 WeakPolarHBondContact O-CB 3.44Å; A408-L420 HydrophobicContact CB-CD2 4.25Å; A408-L420 HydrophobicContact CB-CG 4.13Å; A408-Y431 PolarHBondContact N-O 3.25Å; A408-Y431 CarbonylContact O-C 3.57Å; A408-Y431 WeakPolarHBondContact O-CA 3.43Å; A408-Y431 PolarHBondContact O-N 3.41Å
409	S	89	Confident	88.8	Confident	19 Å²	19	49.4 Å²	49.4	13%	0.133	28%	0.276	C	S	.	.			trans	-77.2	-26	-179.9	65.6	0	0	0	0	113.8	L411 D414 L420	S409-L411 VanDerWaalsContact C-N 3.29Å; S409-L411 PolarHBondContact OG-N 3Å; S409-D414 WeakPolarHBondContact CB-OD2 3.44Å; S409-D414 WeakPolarHBondContact OG-CB 3.13Å; S409-D414 PolarHBondContact OG-OD2 3.18Å; S409-L420 PolarHBondContact N-O 3.1Å
410	G	87.2	Confident	88.3	Confident	22 Å²	22	46.7 Å²	46.7	23%	0.227	26%	0.264	C	S	.	.			trans	85.1	-5.5	-173.1	0	0	0	0	0	114.3	A323	A323-G410 WeakPolarHBondContact O-CA 3.28Å; A323-G410 PolarHBondContact O-N 2.89Å
411	L	86.7	Confident	87.7	Confident	100 Å²	100	50.3 Å²	50.3	52%	0.524	29%	0.29	S	S	.	.			trans	-91.9	128.2	-177.7	-64.8	171.7	0	0	0	110.9	S409 E413 D414 L415	S409-L411 VanDerWaalsContact C-N 3.29Å; S409-L411 PolarHBondContact OG-N 3Å; L411-E413 PolarHBondContact O-N 3.34Å; L411-D414 HydrophobicContact CB-CB 4.37Å; L411-D414 PolarHBondContact O-N 3.38Å; L411-L415 PolarHBondContact O-N 3.09Å
412	V	86.5	Confident	87.2	Confident	68 Å²	68	52.5 Å²	52.5	41%	0.412	31%	0.308	S	S	.	.	H	α-helix	trans	-66.4	-26.7	178.2	-176	0	0	0	0	111.4	A323 L415 N416	A323-V412 HydrophobicContact CB-CG2 4.05Å; V412-L415 WeakPolarHBondContact O-CB 3.21Å; V412-L415 PolarHBondContact O-N 3.34Å; V412-N416 PolarHBondContact O-N 3.49Å; V412-N416 VanDerWaalsContact O-N 3.15Å
413	E	85.8	Confident	86.9	Confident	145 Å²	145	52.5 Å²	52.5	68%	0.678	31%	0.308	S	S	*	.	H	α-helix	trans	-65.6	-43.3	175.7	-63.1	-177.3	179.8	0	0	111.9	L411 L415 N416 N417	L411-E413 PolarHBondContact O-N 3.34Å; E413-L415 VanDerWaalsContact C-N 3.27Å; E413-L415 PolarHBondContact O-N 3.29Å; E413-N416 PolarHBondContact O-N 3.36Å; E413-N417 WeakPolarHBondContact O-CB 3.38Å; E413-N417 VanDerWaalsContact O-CG 3.28Å; E413-N417 PolarHBondContact O-N 3.35Å; E413-N417 PolarHBondContact O-ND2 3.43Å
414	D	84.9	Confident	86.4	Confident	40 Å²	40	53.5 Å²	53.5	21%	0.214	32%	0.317	C	S	.	.	H	α-helix	trans	-66.6	-32	177.5	-67.4	-19.8	0	0	0	111.9	S409 L411 N417 G418 M419 L420	S409-D414 WeakPolarHBondContact CB-OD2 3.44Å; S409-D414 WeakPolarHBondContact OG-CB 3.13Å; S409-D414 PolarHBondContact OG-OD2 3.18Å; L411-D414 HydrophobicContact CB-CB 4.37Å; L411-D414 PolarHBondContact O-N 3.38Å; D414-N417 PolarHBondContact O-N 2.74Å; D414-G418 PolarHBondContact O-N 3.3Å; D414-M419 PolarHBondContact O-N 3.17Å; D414-L420 HydrophobicContact CB-CD1 4.31Å
415	L	84.7	Confident	85.9	Confident	51 Å²	51	59.6 Å²	59.6	27%	0.267	35%	0.354	S	S	.	.	H	α-helix	trans	-63.2	-45.9	172.5	-179.4	68.9	0	0	0	111	R322 A323 L411 V412 E413 N417 G418 L420	R322-L415 HydrophobicContact CB-CD1 4.18Å; R322-L415 HydrophobicContact CB-CD2 3.71Å; A323-L415 HydrophobicContact CB-CB 4.49Å; A323-L415 HydrophobicContact CB-CD2 4.47Å; L411-L415 PolarHBondContact O-N 3.09Å; V412-L415 WeakPolarHBondContact O-CB 3.21Å; V412-L415 PolarHBondContact O-N 3.34Å; E413-L415 VanDerWaalsContact C-N 3.27Å; E413-L415 PolarHBondContact O-N 3.29Å; L415-N417 VanDerWaalsContact C-N 3.31Å; L415-N417 PolarHBondContact O-N 3.4Å; L415-G418 PolarHBondContact O-N 2.89Å; L415-L420 HydrophobicContact CB-CD1 4.42Å; L415-L420 HydrophobicContact CD1-CD2 4.27Å
416	N	85.1	Confident	85.5	Confident	129 Å²	129	64 Å²	64	69%	0.69	38%	0.378	S	S	*	.	H	α-helix	trans	-68.2	-31.9	179.1	-70.3	-20.2	0	0	0	112.4	V412 E413 G418	V412-N416 PolarHBondContact O-N 3.49Å; V412-N416 VanDerWaalsContact O-N 3.15Å; E413-N416 PolarHBondContact O-N 3.36Å; N416-G418 VanDerWaalsContact C-N 3.34Å
417	N	84.2	Confident	84.9	Confident	112 Å²	112	69.6 Å²	69.6	60%	0.599	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-6	178.3	-66	-20.6	0	0	0	113.5	E413 D414 L415 M419	E413-N417 WeakPolarHBondContact O-CB 3.38Å; E413-N417 VanDerWaalsContact O-CG 3.28Å; E413-N417 PolarHBondContact O-N 3.35Å; E413-N417 PolarHBondContact O-ND2 3.43Å; D414-N417 PolarHBondContact O-N 2.74Å; L415-N417 VanDerWaalsContact C-N 3.31Å; L415-N417 PolarHBondContact O-N 3.4Å; N417-M419 HydrophobicContact CB-CG 4.29Å; N417-M419 PolarHBondContact O-N 3.45Å
418	G	81	Confident	84.7	Confident	66 Å²	66	73.4 Å²	73.4	68%	0.68	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	19.5	-175.9	0	0	0	0	0	114.2	D414 L415 N416	D414-G418 PolarHBondContact O-N 3.3Å; L415-G418 PolarHBondContact O-N 2.89Å; N416-G418 VanDerWaalsContact C-N 3.34Å
419	M	85.1	Confident	84.5	Confident	108 Å²	108	73.9 Å²	73.9	53%	0.532	43%	0.432	S	S	.	.			trans	-105.3	19.6	-175.6	-66.1	-175.3	68.4	0	0	113.2	D414 N417 S421 A422	D414-M419 PolarHBondContact O-N 3.17Å; N417-M419 HydrophobicContact CB-CG 4.29Å; N417-M419 PolarHBondContact O-N 3.45Å; M419-S421 VanDerWaalsContact C-N 3.27Å; M419-S421 PolarHBondContact O-N 3.17Å; M419-S421 VanDerWaalsContact O-N 3.14Å; M419-A422 HydrophobicContact CB-CB 4.28Å; M419-A422 HydrophobicContact CE-CB 4.32Å; M419-A422 VanDerWaalsContact O-CB 3.23Å; M419-A422 WeakPolarHBondContact O-CB 3.17Å; M419-A422 PolarHBondContact O-N 3.26Å
420	L	82.5	Confident	84.4	Confident	16 Å²	16	77.1 Å²	77.1	8%	0.084	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-34.1	-170.4	-163.7	67.6	0	0	0	114.7	R322 A323 L405 A408 S409 D414 L415	R322-L420 WeakPolarHBondContact O-CD2 3.26Å; A323-L420 WeakPolarHBondContact O-CD1 3.45Å; L405-L420 HydrophobicContact CD1-CD2 4.13Å; A408-L420 HydrophobicContact CB-CD2 4.25Å; A408-L420 HydrophobicContact CB-CG 4.13Å; S409-L420 PolarHBondContact N-O 3.1Å; D414-L420 HydrophobicContact CB-CD1 4.31Å; L415-L420 HydrophobicContact CB-CD1 4.42Å; L415-L420 HydrophobicContact CD1-CD2 4.27Å
421	S	80.8	Confident	84.6	Confident	78 Å²	78	79 Å²	79	55%	0.545	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-1.2	-179.9	56.2	0	0	0	0	113.8	M419 C423 A424	M419-S421 VanDerWaalsContact C-N 3.27Å; M419-S421 PolarHBondContact O-N 3.17Å; M419-S421 VanDerWaalsContact O-N 3.14Å; S421-C423 PolarHBondContact O-N 3.09Å; S421-A424 WeakPolarHBondContact O-CB 3.36Å; S421-A424 PolarHBondContact O-N 3.18Å
422	A	82.3	Confident	84.7	Confident	46 Å²	46	74.2 Å²	74.2	38%	0.38	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-64.4	-26	-177.3	0	0	0	0	0	112.7	M419 A424 V425	M419-A422 HydrophobicContact CB-CB 4.28Å; M419-A422 HydrophobicContact CE-CB 4.32Å; M419-A422 VanDerWaalsContact O-CB 3.23Å; M419-A422 WeakPolarHBondContact O-CB 3.17Å; M419-A422 PolarHBondContact O-N 3.26Å; A422-A424 PolarHBondContact O-N 3.39Å; A422-A424 VanDerWaalsContact O-N 3.17Å; A422-V425 PolarHBondContact O-N 3.39Å
423	C	86	Confident	84.9	Confident	16 Å²	16	71 Å²	71	11%	0.108	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-63.6	-17.1	175.2	59.1	0	0	0	0	113.3	S421 V425 N426 Q427 T428 C429	S421-C423 PolarHBondContact O-N 3.09Å; C423-V425 VanDerWaalsContact C-N 3.29Å; C423-V425 PolarHBondContact O-N 3.27Å; C423-N426 PolarHBondContact O-N 3.31Å; C423-Q427 PolarHBondContact O-N 3.15Å; C423-Q427 VanDerWaalsContact O-N 3.09Å; C423-T428 PolarHBondContact O-N 2.78Å; C423-C429 VanDerWaalsContact CA-SG 3.53Å; C423-C429 HydrophobicContact CB-CB 4.01Å; C423-C429 WeakPolarHBondContact CB-SG 3.33Å; C423-C429 WeakPolarHBondContact SG-CA 3.29Å; C423-C429 WeakPolarHBondContact SG-CB 3.44Å; C423-C429 CovalentContact SG-SG 2.02Å; C423-C429 PolarHBondContact SG-SG 3.19Å
424	A	83.1	Confident	85.1	Confident	25 Å²	25	64.5 Å²	64.5	21%	0.207	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-67.3	-33	-179.1	0	0	0	0	0	111.5	D407 S421 A422 N426 Q427 C429	D407-A424 HydrophobicContact CB-CB 3.91Å; S421-A424 WeakPolarHBondContact O-CB 3.36Å; S421-A424 PolarHBondContact O-N 3.18Å; A422-A424 PolarHBondContact O-N 3.39Å; A422-A424 VanDerWaalsContact O-N 3.17Å; A424-N426 VanDerWaalsContact C-N 3.3Å; A424-N426 PolarHBondContact O-N 3.19Å; A424-Q427 PolarHBondContact O-N 2.93Å; A424-C429 PolarHBondContact N-SG 3.4Å
425	V	83.1	Confident	85.3	Confident	128 Å²	128	65.5 Å²	65.5	78%	0.776	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-37.5	179.4	-178.3	0	0	0	0	111.4	A422 C423	A422-V425 PolarHBondContact O-N 3.39Å; C423-V425 VanDerWaalsContact C-N 3.29Å; C423-V425 PolarHBondContact O-N 3.27Å
426	N	83.1	Confident	85.6	Confident	124 Å²	124	64.4 Å²	64.4	66%	0.663	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-0.2	179.6	-68	-13.1	0	0	0	113.2	C423 A424 T428	C423-N426 PolarHBondContact O-N 3.31Å; A424-N426 VanDerWaalsContact C-N 3.3Å; A424-N426 PolarHBondContact O-N 3.19Å; N426-T428 HydrophobicContact CB-CG2 3.97Å; N426-T428 PolarHBondContact O-N 2.97Å
427	Q	79.5	Confident	85.8	Confident	158 Å²	158	61.4 Å²	61.4	74%	0.738	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	33.5	-172.6	-58.3	-175.6	-22.1	0	0	113.6	C423 A424	C423-Q427 PolarHBondContact O-N 3.15Å; C423-Q427 VanDerWaalsContact O-N 3.09Å; A424-Q427 PolarHBondContact O-N 2.93Å
428	T	86.3	Confident	86.1	Confident	91 Å²	91	56.5 Å²	56.5	56%	0.558	33%	0.328	S	S	*	.			trans	-103.8	5.5	-179.1	56.4	0	0	0	0	113.3	C423 N426 V430	C423-T428 PolarHBondContact O-N 2.78Å; N426-T428 HydrophobicContact CB-CG2 3.97Å; N426-T428 PolarHBondContact O-N 2.97Å; T428-V430 PolarHBondContact O-N 2.91Å
429	C	86.7	Confident	86.7	Confident	9 Å²	9	53.3 Å²	53.3	6%	0.061	30%	0.295	C	S	.	.			trans	-66	132.1	177.8	-62	0	0	0	0	111.1	D407 C423 A424 N435	D407-C429 HydrophobicContact CB-CB 4.35Å; C423-C429 VanDerWaalsContact CA-SG 3.53Å; C423-C429 HydrophobicContact CB-CB 4.01Å; C423-C429 WeakPolarHBondContact CB-SG 3.33Å; C423-C429 WeakPolarHBondContact SG-CA 3.29Å; C423-C429 WeakPolarHBondContact SG-CB 3.44Å; C423-C429 CovalentContact SG-SG 2.02Å; C423-C429 PolarHBondContact SG-SG 3.19Å; A424-C429 PolarHBondContact N-SG 3.4Å; C429-N435 WeakPolarHBondContact CB-ND2 3.34Å; C429-N435 WeakPolarHBondContact O-CB 3.17Å; C429-N435 VanDerWaalsContact O-CG 3.28Å; C429-N435 PolarHBondContact O-ND2 3Å
430	V	88	Confident	87	Confident	88 Å²	88	48.3 Å²	48.3	53%	0.533	27%	0.27	S	S	.	.			trans	-91.3	-33.5	177.7	-177.4	0	0	0	0	110.9	T428	T428-V430 PolarHBondContact O-N 2.91Å
431	Y	90.4	Very high	87.5	Confident	60 Å²	60	49.3 Å²	49.3	24%	0.235	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-113.6	178.1	-177	-63	-83.3	0	0	0	112	Q324 A408 N435 Y436 L442	Q324-Y431 HydrophobicContact CB-CD1 4.19Å; Q324-Y431 HydrophobicContact CB-CG 4.15Å; Q324-Y431 HydrophobicContact CG-CD1 4.05Å; Q324-Y431 HydrophobicContact CG-CD2 4.2Å; Q324-Y431 HydrophobicContact CG-CE1 4.12Å; Q324-Y431 HydrophobicContact CG-CE2 4.28Å; Q324-Y431 HydrophobicContact CG-CG 4.08Å; Q324-Y431 WeakPolarHBondContact O-CB 3.27Å; A408-Y431 PolarHBondContact N-O 3.25Å; A408-Y431 CarbonylContact O-C 3.57Å; A408-Y431 WeakPolarHBondContact O-CA 3.43Å; A408-Y431 PolarHBondContact O-N 3.41Å; Y431-N435 PolarHBondContact O-ND2 2.88Å; Y431-Y436 HydrophobicContact CD1-CD1 4.28Å; Y431-Y436 HydrophobicContact CD1-CD2 4.2Å; Y431-Y436 HydrophobicContact CD1-CG 4.02Å; Y431-Y436 HydrophobicContact CE1-CD2 4.26Å; Y431-Y436 HydrophobicContact CE1-CE2 4.28Å; Y431-Y436 HydrophobicContact CE1-CG 4.44Å; Y431-L442 HydrophobicContact CD1-CD1 4.05Å; Y431-L442 HydrophobicContact CE1-CD1 4.39Å
432	G	89.9	Confident	88	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	97.5	165.3	-173.1	0	0	0	0	0	113.4	L405 R406 H434 N435 Y436	L405-G432 VanDerWaalsContact O-CA 3.32Å; L405-G432 WeakPolarHBondContact O-CA 3.37Å; R406-G432 CarbonylContact O-C 3.52Å; R406-G432 WeakPolarHBondContact O-CA 3.22Å; G432-H434 PolarHBondContact O-N 3.39Å; G432-H434 VanDerWaalsContact O-N 3.1Å; G432-N435 PolarHBondContact O-N 3.37Å; G432-Y436 PolarHBondContact O-N 3.35Å; G432-Y436 VanDerWaalsContact O-N 3.09Å
433	L	91.5	Very high	88.4	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-29.9	-173.9	-82.7	78.4	0	0	0	114.2	A171 A172 C404 L405 R406	A171-L433 HydrophobicContact CB-CD2 3.65Å; A172-L433 HydrophobicContact CB-CB 3.54Å; A172-L433 HydrophobicContact CB-CD2 4.48Å; C404-L433 HydrophobicContact CB-CD1 3.45Å; C404-L433 VanDerWaalsContact CB-CD1 3.45Å; C404-L433 WeakPolarHBondContact O-CD1 3.29Å; C404-L433 VanDerWaalsContact SG-CD1 3.53Å; L405-L433 WeakPolarHBondContact O-CD1 3.32Å; L405-L433 PolarHBondContact O-N 3.15Å; L405-L433 VanDerWaalsContact O-N 3.08Å; R406-L433 PolarHBondContact O-N 2.95Å
434	H	89.2	Confident	88.7	Confident	10 Å²	10	44.2 Å²	44.2	5%	0.046	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-40.9	-179.9	-84.3	-76	0	0	0	113.6	A172 Q173 D341 R406 G432	A172-H434 HydrophobicContact CB-CB 4.44Å; A172-H434 PolarHBondContact O-NE2 2.72Å; Q173-H434 PolarHBondContact NE2-ND1 2.66Å; D341-H434 PolarHBondContact O-CE1 2.95Å; D341-H434 VanDerWaalsContact O-CE1 3.31Å; D341-H434 IonicContact OD2-NE2 3.93Å; R406-H434 PolarHBondContact O-N 2.85Å; R406-H434 VanDerWaalsContact O-N 3.13Å; G432-H434 PolarHBondContact O-N 3.39Å; G432-H434 VanDerWaalsContact O-N 3.1Å
435	N	88.7	Confident	89.2	Confident	61 Å²	61	45.1 Å²	45.1	33%	0.326	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-29.4	-162.7	-50.9	-55.1	0	0	0	112.5	D407 C429 Y431 G432	D407-N435 PolarHBondContact OD1-ND2 2.87Å; C429-N435 WeakPolarHBondContact CB-ND2 3.34Å; C429-N435 WeakPolarHBondContact O-CB 3.17Å; C429-N435 VanDerWaalsContact O-CG 3.28Å; C429-N435 PolarHBondContact O-ND2 3Å; Y431-N435 PolarHBondContact O-ND2 2.88Å; G432-N435 PolarHBondContact O-N 3.37Å
436	Y	90.3	Very high	89.6	Confident	28 Å²	28	46.6 Å²	46.6	11%	0.11	23%	0.233	C	C	.	.			trans	-111.3	118.3	-179.1	-164.9	-112.5	0	0	0	110.8	E252 Y431 G432 H438 I439 L442	E252-Y436 HydrophobicContact CG-CE2 4.48Å; E252-Y436 WeakPolarHBondContact OE1-CE2 3.5Å; Y431-Y436 HydrophobicContact CD1-CD1 4.28Å; Y431-Y436 HydrophobicContact CD1-CD2 4.2Å; Y431-Y436 HydrophobicContact CD1-CG 4.02Å; Y431-Y436 HydrophobicContact CE1-CD2 4.26Å; Y431-Y436 HydrophobicContact CE1-CE2 4.28Å; Y431-Y436 HydrophobicContact CE1-CG 4.44Å; G432-Y436 PolarHBondContact O-N 3.35Å; G432-Y436 VanDerWaalsContact O-N 3.09Å; Y436-H438 HydrophobicContact CD1-CB 4.13Å; Y436-H438 HydrophobicContact CE1-CB 3.46Å; Y436-H438 VanDerWaalsContact CE1-CB 3.46Å; Y436-H438 WeakPolarHBondContact CE1-O 3.28Å; Y436-I439 HydrophobicContact CD1-CD1 4.03Å; Y436-I439 VanDerWaalsContact O-CG1 3.23Å; Y436-I439 WeakPolarHBondContact O-CG1 3.41Å; Y436-L442 HydrophobicContact CD1-CD1 3.71Å; Y436-L442 HydrophobicContact CD1-CG 4.26Å; Y436-L442 HydrophobicContact CE1-CD1 3.71Å; Y436-L442 HydrophobicContact CE1-CD2 4.26Å; Y436-L442 HydrophobicContact CE1-CG 3.83Å
437	Y	89.7	Confident	90	Very high	65 Å²	65	42.3 Å²	42.3	26%	0.255	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-15.3	-177.4	-63.3	-28.5	0	0	0	113.8	L165 W169 I439	L165-Y437 WeakPolarHBondContact CA-O 3.34Å; L165-Y437 WeakPolarHBondContact O-CB 3.38Å; W169-Y437 HydrophobicContact CB-CD1 4.31Å; W169-Y437 HydrophobicContact CB-CE1 4.29Å; W169-Y437 AromaticContact CD1-CE1 3.57Å; W169-Y437 HydrophobicContact CG-CE1 4.11Å; Y437-I439 PolarHBondContact O-N 3.31Å
438	H	91.8	Very high	90.6	Very high	9 Å²	9	37.9 Å²	37.9	4%	0.042	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	34	-177.5	-58.9	-100.2	0	0	0	112.4	L165 Y436 L440 E441	L165-H438 WeakPolarHBondContact CD2-CE1 3.4Å; L165-H438 WeakPolarHBondContact CD2-ND1 3.46Å; Y436-H438 HydrophobicContact CD1-CB 4.13Å; Y436-H438 HydrophobicContact CE1-CB 3.46Å; Y436-H438 VanDerWaalsContact CE1-CB 3.46Å; Y436-H438 WeakPolarHBondContact CE1-O 3.28Å; H438-L440 PolarHBondContact O-N 3.01Å; H438-E441 HydrophobicContact CB-CB 4.33Å; H438-E441 VanDerWaalsContact O-CB 3.23Å; H438-E441 WeakPolarHBondContact O-CB 3.4Å; H438-E441 PolarHBondContact O-N 3.08Å
439	I	92.8	Very high	90.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-55.9	-38.5	-178.8	-61.3	-64.6	0	0	0	112.4	T400 C404 Y436 Y437 E441 L442 E443	T400-I439 HydrophobicContact CG2-CG2 3.79Å; C404-I439 HydrophobicContact CB-CG2 4.16Å; Y436-I439 HydrophobicContact CD1-CD1 4.03Å; Y436-I439 VanDerWaalsContact O-CG1 3.23Å; Y436-I439 WeakPolarHBondContact O-CG1 3.41Å; Y437-I439 PolarHBondContact O-N 3.31Å; I439-E441 PolarHBondContact O-N 3.42Å; I439-L442 WeakPolarHBondContact O-CB 3.49Å; I439-L442 PolarHBondContact O-N 3.47Å; I439-E443 HydrophobicContact CG2-CG 4.05Å; I439-E443 PolarHBondContact O-N 3.41Å
440	L	92.3	Very high	91.2	Very high	2 Å²	2	35 Å²	35	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-62.2	-25.4	178.9	-85.4	73	0	0	0	112.6	Y164 I167 Y309 V396 H438 G444 I450	Y164-L440 HydrophobicContact CD1-CB 4.45Å; Y164-L440 HydrophobicContact CD1-CD2 3.97Å; Y164-L440 HydrophobicContact CE1-CD2 4.5Å; I167-L440 HydrophobicContact CG2-CD1 3.77Å; Y309-L440 HydrophobicContact CD2-CB 4.29Å; Y309-L440 HydrophobicContact CD2-CD2 4.26Å; Y309-L440 HydrophobicContact CD2-CG 3.94Å; Y309-L440 HydrophobicContact CE2-CB 4.44Å; Y309-L440 HydrophobicContact CE2-CD2 4.24Å; Y309-L440 HydrophobicContact CE2-CG 3.72Å; V396-L440 HydrophobicContact CG1-CD2 3.98Å; H438-L440 PolarHBondContact O-N 3.01Å; L440-G444 PolarHBondContact O-N 2.9Å; L440-G444 VanDerWaalsContact O-N 3.16Å; L440-I450 HydrophobicContact CB-CG2 4.4Å
441	E	92.2	Very high	91.4	Very high	38 Å²	38	31.3 Å²	31.3	18%	0.178	16%	0.158	C	C	.	.	H	α-helix	trans	-69.5	-39.3	173.5	-175.8	173.4	151.1	0	0	111.3	H438 I439 A447 I450 T451	H438-E441 HydrophobicContact CB-CB 4.33Å; H438-E441 VanDerWaalsContact O-CB 3.23Å; H438-E441 WeakPolarHBondContact O-CB 3.4Å; H438-E441 PolarHBondContact O-N 3.08Å; I439-E441 PolarHBondContact O-N 3.42Å; E441-A447 HydrophobicContact CG-CB 3.56Å; E441-I450 HydrophobicContact CB-CB 4.44Å; E441-I450 HydrophobicContact CB-CG2 4.25Å; E441-T451 VanDerWaalsContact CD-OG1 3.27Å; E441-T451 PolarHBondContact OE2-OG1 2.98Å
442	L	90.7	Very high	91.5	Very high	22 Å²	22	30.2 Å²	30.2	12%	0.115	16%	0.162	C	C	.	.	H	α-helix	trans	-72.7	-32.6	178.2	-56.3	-179.5	0	0	0	112.4	Q321 Q324 I326 Y431 Y436 I439	Q321-L442 PolarHBondContact NE2-O 3.23Å; Q324-L442 HydrophobicContact CB-CD1 4.19Å; I326-L442 VanDerWaalsContact CD1-C 3.43Å; I326-L442 HydrophobicContact CD1-CB 3.53Å; I326-L442 VanDerWaalsContact CD1-O 3.24Å; I326-L442 WeakPolarHBondContact CD1-O 3.4Å; Y431-L442 HydrophobicContact CD1-CD1 4.05Å; Y431-L442 HydrophobicContact CE1-CD1 4.39Å; Y436-L442 HydrophobicContact CD1-CD1 3.71Å; Y436-L442 HydrophobicContact CD1-CG 4.26Å; Y436-L442 HydrophobicContact CE1-CD1 3.71Å; Y436-L442 HydrophobicContact CE1-CD2 4.26Å; Y436-L442 HydrophobicContact CE1-CG 3.83Å; I439-L442 WeakPolarHBondContact O-CB 3.49Å; I439-L442 PolarHBondContact O-N 3.47Å
443	E	91.9	Very high	91.6	Very high	7 Å²	7	30.2 Å²	30.2	3%	0.033	16%	0.162	C	C	.	.	H	α-helix	trans	-81.4	-20.2	179.2	-68	-174.9	148.6	0	0	113.6	Y309 G312 L313 I326 T400 T403 I439	Y309-E443 HydrophobicContact CD2-CB 4.35Å; Y309-E443 HydrophobicContact CE2-CB 4.11Å; Y309-E443 WeakPolarHBondContact CE2-OE2 3.43Å; G312-E443 CarbonylContact C-O 3.56Å; G312-E443 VanDerWaalsContact C-O 3.26Å; G312-E443 VanDerWaalsContact CA-O 3.25Å; G312-E443 WeakPolarHBondContact CA-O 3.23Å; L313-E443 HydrophobicContact CD2-CB 4.32Å; I326-E443 HydrophobicContact CD1-CG 3.99Å; I326-E443 HydrophobicContact CG1-CG 4.29Å; T400-E443 WeakPolarHBondContact CB-OE2 3.5Å; T400-E443 PolarHBondContact OG1-OE2 3.17Å; T403-E443 WeakPolarHBondContact CB-OE1 3.27Å; T403-E443 PolarHBondContact OG1-OE1 2.78Å; I439-E443 HydrophobicContact CG2-CG 4.05Å; I439-E443 PolarHBondContact O-N 3.41Å
444	G	92.1	Very high	91.7	Very high	4 Å²	4	30.3 Å²	30.3	4%	0.041	16%	0.163	C	C	.	.	S	Bend	trans	-70.5	150.1	-179.9	0	0	0	0	0	113.4	L440 W446	L440-G444 PolarHBondContact O-N 2.9Å; L440-G444 VanDerWaalsContact O-N 3.16Å; G444-W446 PolarHBondContact O-N 3.21Å
445	A	92.7	Very high	91.8	Very high	43 Å²	43	32.6 Å²	32.6	36%	0.355	17%	0.172	S	C	.	.	S	Bend	trans	-62.1	-33.1	178.9	0	0	0	0	0	112.5	N308 I311 G312 M315	N308-A445 PolarHBondContact O-N 2.91Å; N308-A445 VanDerWaalsContact O-N 3.12Å; I311-A445 HydrophobicContact CB-CB 4.42Å; I311-A445 HydrophobicContact CG2-CB 4.02Å; G312-A445 VanDerWaalsContact CA-N 3.35Å; M315-A445 HydrophobicContact SD-CB 3.76Å
446	W	92.5	Very high	91.9	Very high	159 Å²	159	29.9 Å²	29.9	60%	0.602	16%	0.158	S	C	*	.	S	Bend	trans	-136.6	110.8	172.4	-169.6	48.9	0	0	0	110.9	N308 G444 P448 L449	N308-W446 PolarHBondContact ND2-N 2.87Å; N308-W446 PolarHBondContact ND2-O 3.09Å; N308-W446 PolarHBondContact OD1-N 3.25Å; G444-W446 PolarHBondContact O-N 3.21Å; W446-P448 HydrophobicContact CD2-CB 4.43Å; W446-P448 HydrophobicContact CD2-CG 4.41Å; W446-P448 HydrophobicContact CH2-CB 4.05Å; W446-P448 HydrophobicContact CZ2-CB 3.77Å; W446-P448 HydrophobicContact CZ2-CG 3.84Å; W446-L449 HydrophobicContact CD2-CB 4.29Å; W446-L449 HydrophobicContact CE3-CB 3.47Å; W446-L449 VanDerWaalsContact CE3-CB 3.47Å; W446-L449 HydrophobicContact CE3-CD2 4.15Å; W446-L449 HydrophobicContact CE3-CG 4.34Å; W446-L449 HydrophobicContact CZ3-CB 3.92Å; W446-L449 PolarHBondContact O-N 2.6Å
447	A	90.4	Very high	91.9	Very high	34 Å²	34	28.7 Å²	28.7	28%	0.281	15%	0.154	S	C	.	.	H	α-helix	trans	-54.7	-48.9	-174.8	0	0	0	0	0	114.4	E441 L449 I450 T451	E441-A447 HydrophobicContact CG-CB 3.56Å; A447-L449 PolarHBondContact O-N 3.11Å; A447-I450 WeakPolarHBondContact O-CA 3.44Å; A447-I450 WeakPolarHBondContact O-CB 3.49Å; A447-I450 PolarHBondContact O-N 2.81Å; A447-T451 PolarHBondContact O-N 3.32Å; A447-T451 VanDerWaalsContact O-N 3.12Å; A447-T451 PolarHBondContact O-OG1 3.37Å
448	P	92.1	Very high	92	Very high	66 Å²	66	25.6 Å²	25.6	43%	0.429	14%	0.142	S	C	.	.	H	α-helix	trans	-58.8	-26.6	-178.5	-26.6	35.6	0	0	0	114.7	W446 A452	W446-P448 HydrophobicContact CD2-CB 4.43Å; W446-P448 HydrophobicContact CD2-CG 4.41Å; W446-P448 HydrophobicContact CH2-CB 4.05Å; W446-P448 HydrophobicContact CZ2-CB 3.77Å; W446-P448 HydrophobicContact CZ2-CG 3.84Å; P448-A452 WeakPolarHBondContact O-CB 3.18Å; P448-A452 PolarHBondContact O-N 2.92Å
449	L	93.2	Very high	91.9	Very high	36 Å²	36	27.2 Å²	27.2	19%	0.188	15%	0.151	C	C	.	.	H	α-helix	trans	-76.6	-29.8	176.8	-174.1	58.3	0	0	0	112.6	I304 S305 N308 W446 A447 G453	I304-L449 HydrophobicContact CG2-CD1 3.96Å; I304-L449 HydrophobicContact CG2-CD2 3.82Å; I304-L449 HydrophobicContact CG2-CG 4.26Å; S305-L449 WeakPolarHBondContact CB-O 3.29Å; S305-L449 PolarHBondContact OG-O 2.71Å; N308-L449 HydrophobicContact CB-CD2 3.65Å; N308-L449 HydrophobicContact CB-CG 4.2Å; W446-L449 HydrophobicContact CD2-CB 4.29Å; W446-L449 HydrophobicContact CE3-CB 3.47Å; W446-L449 VanDerWaalsContact CE3-CB 3.47Å; W446-L449 HydrophobicContact CE3-CD2 4.15Å; W446-L449 HydrophobicContact CE3-CG 4.34Å; W446-L449 HydrophobicContact CZ3-CB 3.92Å; W446-L449 PolarHBondContact O-N 2.6Å; A447-L449 PolarHBondContact O-N 3.11Å; L449-G453 PolarHBondContact O-N 3.24Å
450	I	93.1	Very high	91.7	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-66.1	-49.8	168.5	-57.9	-57.1	0	0	0	109.2	Y164 S305 N308 L440 E441 A447 A452 G453 V454	Y164-I450 HydrophobicContact CD1-CG2 4Å; Y164-I450 HydrophobicContact CE1-CG2 4.05Å; S305-I450 VanDerWaalsContact O-CD1 3.22Å; S305-I450 WeakPolarHBondContact O-CD1 3.49Å; S305-I450 WeakPolarHBondContact OG-CA 3.39Å; N308-I450 HydrophobicContact CB-CD1 4.31Å; N308-I450 WeakPolarHBondContact ND2-CD1 3.47Å; N308-I450 WeakPolarHBondContact ND2-CG1 3.44Å; L440-I450 HydrophobicContact CB-CG2 4.4Å; E441-I450 HydrophobicContact CB-CB 4.44Å; E441-I450 HydrophobicContact CB-CG2 4.25Å; A447-I450 WeakPolarHBondContact O-CA 3.44Å; A447-I450 WeakPolarHBondContact O-CB 3.49Å; A447-I450 PolarHBondContact O-N 2.81Å; I450-A452 VanDerWaalsContact C-N 3.3Å; I450-A452 PolarHBondContact O-N 2.9Å; I450-G453 CarbonylContact O-C 3.49Å; I450-G453 VanDerWaalsContact O-CA 3.32Å; I450-G453 WeakPolarHBondContact O-CA 3.35Å; I450-G453 PolarHBondContact O-N 3.13Å; I450-V454 HydrophobicContact CG2-CG2 4.43Å; I450-V454 WeakPolarHBondContact O-CG2 3.12Å; I450-V454 PolarHBondContact O-N 3.19Å
451	T	92.6	Very high	91.5	Very high	11 Å²	11	27.3 Å²	27.3	7%	0.067	15%	0.152	C	C	.	.	H	α-helix	trans	-56.5	-43	176.6	-38.2	0	0	0	0	111.9	T249 V253 E441 A447 G453 V454 F455	T249-T451 HydrophobicContact CG2-CG2 3.95Å; V253-T451 HydrophobicContact CG2-CG2 3.7Å; E441-T451 VanDerWaalsContact CD-OG1 3.27Å; E441-T451 PolarHBondContact OE2-OG1 2.98Å; A447-T451 PolarHBondContact O-N 3.32Å; A447-T451 VanDerWaalsContact O-N 3.12Å; A447-T451 PolarHBondContact O-OG1 3.37Å; T451-G453 VanDerWaalsContact C-N 3.31Å; T451-G453 PolarHBondContact O-N 2.95Å; T451-V454 WeakPolarHBondContact O-CB 3.43Å; T451-V454 PolarHBondContact O-N 2.9Å; T451-F455 HydrophobicContact CG2-CE1 4.35Å; T451-F455 HydrophobicContact CG2-CE2 4.1Å; T451-F455 HydrophobicContact CG2-CZ 3.93Å; T451-F455 WeakPolarHBondContact O-CG 3.42Å; T451-F455 PolarHBondContact O-N 3.25Å
452	A	92.7	Very high	91.5	Very high	37 Å²	37	25.5 Å²	25.5	31%	0.306	14%	0.143	S	C	.	.	H	α-helix	trans	-62.2	-36.7	173.6	0	0	0	0	0	112.7	V301 P448 I450 S456	V301-A452 HydrophobicContact CG1-CB 4.17Å; P448-A452 WeakPolarHBondContact O-CB 3.18Å; P448-A452 PolarHBondContact O-N 2.92Å; I450-A452 VanDerWaalsContact C-N 3.3Å; I450-A452 PolarHBondContact O-N 2.9Å; A452-S456 VanDerWaalsContact O-CB 3.3Å; A452-S456 WeakPolarHBondContact O-CB 3.45Å; A452-S456 PolarHBondContact O-N 3.2Å
453	G	92.2	Very high	91.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.1	-40.9	171.8	0	0	0	0	0	113.3	S305 L449 I450 T451 S456 S457	S305-G453 WeakPolarHBondContact OG-CA 3.49Å; L449-G453 PolarHBondContact O-N 3.24Å; I450-G453 CarbonylContact O-C 3.49Å; I450-G453 VanDerWaalsContact O-CA 3.32Å; I450-G453 WeakPolarHBondContact O-CA 3.35Å; I450-G453 PolarHBondContact O-N 3.13Å; T451-G453 VanDerWaalsContact C-N 3.31Å; T451-G453 PolarHBondContact O-N 2.95Å; G453-S456 WeakPolarHBondContact O-CB 3.3Å; G453-S456 PolarHBondContact O-N 2.87Å; G453-S457 WeakPolarHBondContact O-CB 3.34Å; G453-S457 PolarHBondContact O-N 3.37Å
454	V	92.2	Very high	91	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.018	15%	0.145	C	C	.	.	H	α-helix	trans	-61.9	-47.5	175.1	-179.9	0	0	0	0	110.4	Y164 T249 I450 T451 S456 S457 T458	Y164-V454 HydrophobicContact CD1-CG2 3.72Å; Y164-V454 HydrophobicContact CD2-CG2 4.15Å; Y164-V454 HydrophobicContact CE1-CG2 4.36Å; Y164-V454 HydrophobicContact CG-CG2 3.59Å; T249-V454 HydrophobicContact CG2-CB 4.24Å; T249-V454 HydrophobicContact CG2-CG1 3.82Å; T249-V454 VanDerWaalsContact OG1-CG1 3.27Å; T249-V454 WeakPolarHBondContact OG1-CG1 3.47Å; I450-V454 HydrophobicContact CG2-CG2 4.43Å; I450-V454 WeakPolarHBondContact O-CG2 3.12Å; I450-V454 PolarHBondContact O-N 3.19Å; T451-V454 WeakPolarHBondContact O-CB 3.43Å; T451-V454 PolarHBondContact O-N 2.9Å; V454-S456 VanDerWaalsContact C-N 3.3Å; V454-S456 PolarHBondContact O-N 3.36Å; V454-S457 PolarHBondContact O-N 2.99Å; V454-T458 HydrophobicContact CG1-CG2 4.34Å; V454-T458 WeakPolarHBondContact O-CB 3.43Å; V454-T458 WeakPolarHBondContact O-CG2 3.36Å; V454-T458 PolarHBondContact O-N 2.78Å; V454-T458 PolarHBondContact O-OG1 3.37Å
455	F	92.6	Very high	90.9	Very high	57 Å²	57	25.3 Å²	25.3	25%	0.25	14%	0.144	C	C	.	.	H	α-helix	trans	-59.7	-42.3	174.5	-67.8	-17.9	0	0	0	111.8	F246 T249 V250 T451 T458 L459	F246-F455 HydrophobicContact CD2-CB 4.34Å; F246-F455 AromaticContact CD2-CD1 3.58Å; F246-F455 HydrophobicContact CD2-CD1 3.58Å; F246-F455 HydrophobicContact CD2-CE1 4.21Å; F246-F455 HydrophobicContact CD2-CG 4.2Å; F246-F455 HydrophobicContact CE2-CB 3.99Å; F246-F455 AromaticContact CE2-CD1 3.39Å; F246-F455 HydrophobicContact CE2-CD1 3.39Å; F246-F455 HydrophobicContact CE2-CD2 4.46Å; F246-F455 AromaticContact CE2-CE1 3.92Å; F246-F455 HydrophobicContact CE2-CE1 3.92Å; F246-F455 AromaticContact CE2-CG 3.7Å; F246-F455 HydrophobicContact CE2-CG 3.7Å; F246-F455 HydrophobicContact CZ-CD1 4.35Å; F246-F455 HydrophobicContact CZ-CE1 4.5Å; T249-F455 HydrophobicContact CG2-CD1 4.14Å; T249-F455 HydrophobicContact CG2-CE1 3.58Å; T249-F455 HydrophobicContact CG2-CZ 4.32Å; V250-F455 HydrophobicContact CG2-CE1 3.71Å; V250-F455 HydrophobicContact CG2-CZ 3.91Å; T451-F455 HydrophobicContact CG2-CE1 4.35Å; T451-F455 HydrophobicContact CG2-CE2 4.1Å; T451-F455 HydrophobicContact CG2-CZ 3.93Å; T451-F455 WeakPolarHBondContact O-CG 3.42Å; T451-F455 PolarHBondContact O-N 3.25Å; F455-T458 WeakPolarHBondContact CA-OG1 3.45Å; F455-T458 PolarHBondContact O-OG1 2.79Å; F455-T458 VanDerWaalsContact O-OG1 3.09Å; F455-L459 VanDerWaalsContact O-CB 3.26Å; F455-L459 WeakPolarHBondContact O-CB 3.26Å; F455-L459 VanDerWaalsContact O-CG 3.28Å; F455-L459 WeakPolarHBondContact O-CG 3.45Å; F455-L459 PolarHBondContact O-N 2.97Å
456	S	90.4	Very high	90.6	Very high	5 Å²	5	23.8 Å²	23.8	4%	0.035	13%	0.13	C	C	.	.	H	α-helix	trans	-63.1	-48.3	178.2	-175.5	0	0	0	0	112.7	L298 A452 G453 V454 S460	L298-S456 WeakPolarHBondContact CA-OG 3.29Å; L298-S456 WeakPolarHBondContact CB-OG 3.33Å; L298-S456 PolarHBondContact O-OG 2.97Å; A452-S456 VanDerWaalsContact O-CB 3.3Å; A452-S456 WeakPolarHBondContact O-CB 3.45Å; A452-S456 PolarHBondContact O-N 3.2Å; G453-S456 WeakPolarHBondContact O-CB 3.3Å; G453-S456 PolarHBondContact O-N 2.87Å; V454-S456 VanDerWaalsContact C-N 3.3Å; V454-S456 PolarHBondContact O-N 3.36Å; S456-S460 WeakPolarHBondContact O-CB 3.47Å; S456-S460 PolarHBondContact O-N 3.08Å
457	S	90.6	Very high	90.4	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.014	10%	0.103	C	C	.	.	H	α-helix	trans	-61.2	-49.7	178.5	173.5	0	0	0	0	112.2	I159 G160 G453 V454 S461	I159-S457 PolarHBondContact O-OG 2.68Å; G160-S457 WeakPolarHBondContact CA-OG 3.48Å; G160-S457 PolarHBondContact O-OG 3.39Å; G453-S457 WeakPolarHBondContact O-CB 3.34Å; G453-S457 PolarHBondContact O-N 3.37Å; V454-S457 PolarHBondContact O-N 2.99Å; S457-S461 WeakPolarHBondContact O-CB 3.44Å; S457-S461 PolarHBondContact O-N 3.17Å; S457-S461 VanDerWaalsContact O-N 3.07Å; S457-S461 PolarHBondContact O-OG 3.1Å
458	T	91.6	Very high	90.2	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.006	9%	0.093	C	C	.	.	H	α-helix	trans	-65.4	-49.3	-177.7	48.9	0	0	0	0	111.8	V161 F246 V454 F455 A462	V161-T458 HydrophobicContact CB-CG2 3.74Å; V161-T458 HydrophobicContact CG2-CG2 3.82Å; F246-T458 HydrophobicContact CB-CG2 4.39Å; V454-T458 HydrophobicContact CG1-CG2 4.34Å; V454-T458 WeakPolarHBondContact O-CB 3.43Å; V454-T458 WeakPolarHBondContact O-CG2 3.36Å; V454-T458 PolarHBondContact O-N 2.78Å; V454-T458 PolarHBondContact O-OG1 3.37Å; F455-T458 WeakPolarHBondContact CA-OG1 3.45Å; F455-T458 PolarHBondContact O-OG1 2.79Å; F455-T458 VanDerWaalsContact O-OG1 3.09Å; T458-A462 WeakPolarHBondContact O-CB 3.27Å; T458-A462 PolarHBondContact O-N 2.94Å
459	L	89.6	Confident	90.1	Very high	43 Å²	43	12.2 Å²	12.2	23%	0.225	7%	0.073	C	C	.	.	H	α-helix	trans	-67.4	-38.7	-179.8	-68.3	173	0	0	0	112.1	F246 L280 F455 L463	F246-L459 HydrophobicContact CD2-CD1 4.22Å; F246-L459 HydrophobicContact CD2-CD2 4.03Å; F246-L459 HydrophobicContact CD2-CG 3.84Å; F246-L459 HydrophobicContact CE2-CD1 3.79Å; F246-L459 HydrophobicContact CE2-CD2 4.16Å; F246-L459 HydrophobicContact CE2-CG 3.94Å; F246-L459 HydrophobicContact CG-CD2 4.3Å; F246-L459 HydrophobicContact CZ-CD1 4.45Å; L280-L459 HydrophobicContact CD2-CD2 4.28Å; F455-L459 VanDerWaalsContact O-CB 3.26Å; F455-L459 WeakPolarHBondContact O-CB 3.26Å; F455-L459 VanDerWaalsContact O-CG 3.28Å; F455-L459 WeakPolarHBondContact O-CG 3.45Å; F455-L459 PolarHBondContact O-N 2.97Å; L459-L463 WeakPolarHBondContact O-CB 3.5Å; L459-L463 PolarHBondContact O-N 3.27Å
460	S	87.6	Confident	90	Very high	4 Å²	4	10.5 Å²	10.5	3%	0.028	6%	0.064	C	C	.	.	H	α-helix	trans	-62.4	-49.8	177.1	179.6	0	0	0	0	111.7	S456 L463 A464	S456-S460 WeakPolarHBondContact O-CB 3.47Å; S456-S460 PolarHBondContact O-N 3.08Å; S460-L463 PolarHBondContact O-N 3.45Å; S460-A464 WeakPolarHBondContact O-CB 3.47Å; S460-A464 PolarHBondContact O-N 2.99Å
461	S	89.3	Confident	89.7	Confident	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-71.1	-34.2	-178.5	-62.6	0	0	0	0	112.5	L156 Y242 S457 S465	L156-S461 PolarHBondContact O-OG 3.43Å; Y242-S461 VanDerWaalsContact CD2-C 3.43Å; Y242-S461 WeakPolarHBondContact CD2-O 3.3Å; S457-S461 WeakPolarHBondContact O-CB 3.44Å; S457-S461 PolarHBondContact O-N 3.17Å; S457-S461 VanDerWaalsContact O-N 3.07Å; S457-S461 PolarHBondContact O-OG 3.1Å; S461-S465 VanDerWaalsContact O-CB 3.3Å; S461-S465 WeakPolarHBondContact O-CB 3.47Å; S461-S465 PolarHBondContact O-N 3.28Å; S461-S465 PolarHBondContact O-OG 2.62Å
462	A	90.7	Very high	89.5	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.1	-50.9	169.7	0	0	0	0	0	111	L243 L280 T458 A464 S465 T466	L243-A462 HydrophobicContact CD2-CB 4.17Å; L243-A462 HydrophobicContact CG-CB 4.11Å; L280-A462 HydrophobicContact CD1-CB 3.53Å; T458-A462 WeakPolarHBondContact O-CB 3.27Å; T458-A462 PolarHBondContact O-N 2.94Å; A462-A464 PolarHBondContact O-N 3.46Å; A462-S465 PolarHBondContact O-N 3.23Å; A462-T466 WeakPolarHBondContact O-CB 3.27Å; A462-T466 PolarHBondContact O-N 2.73Å; A462-T466 PolarHBondContact O-OG1 3.31Å
463	L	87.3	Confident	89.4	Confident	8 Å²	8	12.9 Å²	12.9	4%	0.042	7%	0.068	C	C	.	.	H	α-helix	trans	-58.6	-46.1	178.6	-169.7	80.2	0	0	0	111.5	L280 V283 V284 E291 L459 S460 S465 T466 V467	L280-L463 HydrophobicContact CD2-CD1 4.13Å; V283-L463 HydrophobicContact CG1-CD1 3.97Å; V284-L463 HydrophobicContact CG2-CD1 3.56Å; V284-L463 HydrophobicContact CG2-CG 4.48Å; E291-L463 HydrophobicContact CB-CD2 4Å; E291-L463 HydrophobicContact CG-CD2 3.48Å; E291-L463 VanDerWaalsContact CG-CD2 3.48Å; E291-L463 HydrophobicContact CG-CG 4Å; L459-L463 WeakPolarHBondContact O-CB 3.5Å; L459-L463 PolarHBondContact O-N 3.27Å; S460-L463 PolarHBondContact O-N 3.45Å; L463-S465 VanDerWaalsContact C-N 3.34Å; L463-S465 PolarHBondContact O-N 3.16Å; L463-T466 PolarHBondContact O-N 3.37Å; L463-V467 WeakPolarHBondContact O-CG2 3.44Å; L463-V467 PolarHBondContact O-N 3.46Å
464	A	85.5	Confident	89.3	Confident	18 Å²	18	13.5 Å²	13.5	15%	0.149	7%	0.071	C	C	.	.	H	α-helix	trans	-60.8	-42	177.8	0	0	0	0	0	112.2	S460 A462 V467 S468	S460-A464 WeakPolarHBondContact O-CB 3.47Å; S460-A464 PolarHBondContact O-N 2.99Å; A462-A464 PolarHBondContact O-N 3.46Å; A464-V467 PolarHBondContact O-N 2.91Å; A464-S468 VanDerWaalsContact O-CB 3.28Å; A464-S468 WeakPolarHBondContact O-CB 3.28Å; A464-S468 PolarHBondContact O-N 3.17Å
465	S	89	Confident	89.1	Confident	2 Å²	2	14.4 Å²	14.4	1%	0.014	8%	0.079	C	C	.	.	H	α-helix	trans	-71	-40.5	179.7	-62.2	0	0	0	0	112.5	N235 Y242 S461 A462 L463 V467 S468 A469	N235-S465 WeakPolarHBondContact O-CB 3.4Å; Y242-S465 WeakPolarHBondContact CE2-OG 3.41Å; S461-S465 VanDerWaalsContact O-CB 3.3Å; S461-S465 WeakPolarHBondContact O-CB 3.47Å; S461-S465 PolarHBondContact O-N 3.28Å; S461-S465 PolarHBondContact O-OG 2.62Å; A462-S465 PolarHBondContact O-N 3.23Å; L463-S465 VanDerWaalsContact C-N 3.34Å; L463-S465 PolarHBondContact O-N 3.16Å; S465-V467 VanDerWaalsContact C-N 3.26Å; S465-V467 PolarHBondContact O-N 3.49Å; S465-S468 PolarHBondContact O-N 2.9Å; S465-A469 PolarHBondContact O-N 3.23Å; S465-A469 VanDerWaalsContact O-N 3.11Å
466	T	88.4	Confident	88.9	Confident	11 Å²	11	11.7 Å²	11.7	7%	0.067	7%	0.067	C	C	.	.	H	α-helix	trans	-64.2	-29.4	174.1	-58.7	0	0	0	0	112.1	V284 A462 L463 P470 Y502	V284-T466 HydrophobicContact CG2-CG2 4.2Å; A462-T466 WeakPolarHBondContact O-CB 3.27Å; A462-T466 PolarHBondContact O-N 2.73Å; A462-T466 PolarHBondContact O-OG1 3.31Å; L463-T466 PolarHBondContact O-N 3.37Å; T466-P470 WeakPolarHBondContact O-CD 3.32Å; T466-P470 VanDerWaalsContact O-CG 3.25Å; T466-P470 WeakPolarHBondContact O-CG 3.31Å; T466-Y502 WeakPolarHBondContact O-CE1 3.49Å
467	V	86.3	Confident	88.8	Confident	6 Å²	6	11.5 Å²	11.5	4%	0.036	7%	0.065	C	C	.	.	H	α-helix	trans	-81	-38.4	173.3	172.4	0	0	0	0	112.3	V284 L288 E291 L463 A464 S465 K471	V284-V467 HydrophobicContact CG1-CG2 3.94Å; V284-V467 HydrophobicContact CG2-CG2 3.96Å; L288-V467 HydrophobicContact CD2-CB 4.47Å; L288-V467 HydrophobicContact CD2-CG1 3.54Å; L288-V467 HydrophobicContact CD2-CG2 4Å; E291-V467 HydrophobicContact CG-CG2 4.48Å; L463-V467 WeakPolarHBondContact O-CG2 3.44Å; L463-V467 PolarHBondContact O-N 3.46Å; A464-V467 PolarHBondContact O-N 2.91Å; S465-V467 VanDerWaalsContact C-N 3.26Å; S465-V467 PolarHBondContact O-N 3.49Å; V467-K471 HydrophobicContact CG1-CD 3.84Å; V467-K471 WeakPolarHBondContact O-CG 3.27Å
468	S	86.8	Confident	88.7	Confident	10 Å²	10	16.3 Å²	16.3	7%	0.07	8%	0.083	C	C	.	.	H	α-helix	trans	-66.4	-49.9	-176.8	-179.5	0	0	0	0	112.8	N235 N366 A464 S465 K471 V472	N235-S468 PolarHBondContact ND2-OG 2.91Å; N366-S468 PolarHBondContact ND2-OG 3.22Å; A464-S468 VanDerWaalsContact O-CB 3.28Å; A464-S468 WeakPolarHBondContact O-CB 3.28Å; A464-S468 PolarHBondContact O-N 3.17Å; S465-S468 PolarHBondContact O-N 2.9Å; S468-K471 PolarHBondContact O-N 3.48Å; S468-V472 WeakPolarHBondContact O-CG2 3.41Å; S468-V472 PolarHBondContact O-N 2.85Å
469	A	90.7	Very high	88.3	Confident	1 Å²	1	17.8 Å²	17.8	1%	0.008	9%	0.091	C	C	.	.	H	α-helix	trans	-58.7	-49.7	-174.4	0	0	0	0	0	113.8	A232 N235 A236 S465 K471 V472 L473 T505	A232-A469 VanDerWaalsContact O-CB 3.26Å; A232-A469 WeakPolarHBondContact O-CB 3.48Å; N235-A469 HydrophobicContact CB-CB 3.78Å; A236-A469 HydrophobicContact CB-CB 4.13Å; S465-A469 PolarHBondContact O-N 3.23Å; S465-A469 VanDerWaalsContact O-N 3.11Å; A469-K471 PolarHBondContact O-N 3.07Å; A469-V472 PolarHBondContact O-N 3.1Å; A469-L473 WeakPolarHBondContact O-CB 3.1Å; A469-L473 PolarHBondContact O-N 2.95Å; A469-T505 HydrophobicContact CB-CG2 4.02Å
470	P	90.2	Very high	88	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63.7	-38.3	177.3	-28.5	39.9	0	0	0	113.9	T466 L473 Q474 P498 Y502 T505	T466-P470 WeakPolarHBondContact O-CD 3.32Å; T466-P470 VanDerWaalsContact O-CG 3.25Å; T466-P470 WeakPolarHBondContact O-CG 3.31Å; P470-L473 PolarHBondContact O-N 3.16Å; P470-Q474 WeakPolarHBondContact O-CB 3.41Å; P470-Q474 PolarHBondContact O-N 3.48Å; P470-P498 HydrophobicContact CB-CB 4.06Å; P470-P498 HydrophobicContact CB-CG 3.53Å; P470-Y502 HydrophobicContact CB-CD1 3.96Å; P470-Y502 HydrophobicContact CB-CE1 3.97Å; P470-Y502 HydrophobicContact CB-CG 4.39Å; P470-Y502 HydrophobicContact CG-CD1 3.48Å; P470-Y502 VanDerWaalsContact CG-CD1 3.48Å; P470-Y502 HydrophobicContact CG-CE1 3.73Å; P470-Y502 HydrophobicContact CG-CG 4.21Å; P470-T505 WeakPolarHBondContact CD-OG1 3.34Å; P470-T505 HydrophobicContact CG-CG2 4.41Å; P470-T505 WeakPolarHBondContact CG-OG1 3.28Å
471	K	87.4	Confident	87.8	Confident	70 Å²	70	24.7 Å²	24.7	30%	0.304	11%	0.114	S	C	.	.	H	α-helix	trans	-66	-43.1	178.8	-76.1	179.6	178	172	0	111.5	L288 V467 S468 A469 Q474 A475 P498	L288-K471 VanDerWaalsContact CD1-CE 3.47Å; L288-K471 VanDerWaalsContact CD2-NZ 3.34Å; V467-K471 HydrophobicContact CG1-CD 3.84Å; V467-K471 WeakPolarHBondContact O-CG 3.27Å; S468-K471 PolarHBondContact O-N 3.48Å; A469-K471 PolarHBondContact O-N 3.07Å; K471-Q474 PolarHBondContact O-N 2.66Å; K471-A475 WeakPolarHBondContact O-CB 3.39Å; K471-A475 PolarHBondContact O-N 3.1Å; K471-P498 HydrophobicContact CG-CG 4.44Å
472	V	89.3	Confident	87.6	Confident	7 Å²	7	25.4 Å²	25.4	4%	0.042	12%	0.117	C	C	.	.	H	α-helix	trans	-60.9	-48.9	173.5	172.7	0	0	0	0	110.1	G228 F231 A232 S468 A469 Q474 A475 V476	G228-V472 VanDerWaalsContact O-CG1 3.23Å; G228-V472 WeakPolarHBondContact O-CG1 3.17Å; F231-V472 HydrophobicContact CD1-CG1 4.23Å; F231-V472 HydrophobicContact CD1-CG2 3.83Å; F231-V472 HydrophobicContact CE1-CG2 3.97Å; A232-V472 HydrophobicContact CB-CB 4.3Å; A232-V472 HydrophobicContact CB-CG1 3.99Å; S468-V472 WeakPolarHBondContact O-CG2 3.41Å; S468-V472 PolarHBondContact O-N 2.85Å; A469-V472 PolarHBondContact O-N 3.1Å; V472-Q474 VanDerWaalsContact C-N 3.34Å; V472-Q474 PolarHBondContact O-N 3.21Å; V472-A475 PolarHBondContact O-N 3.03Å; V472-V476 HydrophobicContact CG1-CG2 4.43Å; V472-V476 WeakPolarHBondContact O-CG2 3.36Å; V472-V476 PolarHBondContact O-N 3.18Å
473	L	90.3	Very high	87	Confident	22 Å²	22	28 Å²	28	12%	0.115	13%	0.133	C	C	.	.	H	α-helix	trans	-62.4	-40.3	-179.9	-175.3	65.5	0	0	0	112.7	A232 A469 P470 V476 A477 F488 L504	A232-L473 HydrophobicContact CB-CB 4.36Å; A469-L473 WeakPolarHBondContact O-CB 3.1Å; A469-L473 PolarHBondContact O-N 2.95Å; P470-L473 PolarHBondContact O-N 3.16Å; L473-V476 PolarHBondContact O-N 2.78Å; L473-A477 VanDerWaalsContact O-CB 3.3Å; L473-A477 WeakPolarHBondContact O-CB 3.39Å; L473-A477 PolarHBondContact O-N 2.92Å; L473-F488 HydrophobicContact CD2-CB 4.35Å; L473-F488 HydrophobicContact CD2-CD1 4.31Å; L473-F488 HydrophobicContact CD2-CD2 4.4Å; L473-F488 HydrophobicContact CD2-CG 4.11Å; L473-F488 HydrophobicContact CG-CB 4.38Å; L473-L504 HydrophobicContact CD2-CD2 3.51Å
474	Q	90.4	Very high	86.8	Confident	13 Å²	13	37.2 Å²	37.2	6%	0.061	17%	0.169	C	C	.	.	H	α-helix	trans	-63.7	-42.2	176.6	-174.1	-174.1	39.5	0	0	111.3	P470 K471 V472 A477 R478 G491 D496 P498	P470-Q474 WeakPolarHBondContact O-CB 3.41Å; P470-Q474 PolarHBondContact O-N 3.48Å; K471-Q474 PolarHBondContact O-N 2.66Å; V472-Q474 VanDerWaalsContact C-N 3.34Å; V472-Q474 PolarHBondContact O-N 3.21Å; Q474-A477 PolarHBondContact O-N 2.66Å; Q474-R478 VanDerWaalsContact O-CG 3.32Å; Q474-R478 WeakPolarHBondContact O-CG 3.37Å; Q474-R478 PolarHBondContact O-N 2.83Å; Q474-G491 VanDerWaalsContact NE2-CA 3.34Å; Q474-D496 PolarHBondContact NE2-O 3.43Å; Q474-P498 HydrophobicContact CB-CB 3.87Å; Q474-P498 HydrophobicContact CG-CB 4.09Å
475	A	87.2	Confident	86.8	Confident	23 Å²	23	38 Å²	38	19%	0.19	17%	0.17	C	C	.	.	H	α-helix	trans	-63.5	-44.2	176.7	0	0	0	0	0	111.5	Y212 K471 V472 A477 R478 D479	Y212-A475 HydrophobicContact CD1-CB 3.45Å; Y212-A475 VanDerWaalsContact CD1-CB 3.45Å; Y212-A475 HydrophobicContact CE1-CB 3.98Å; Y212-A475 HydrophobicContact CG-CB 4.34Å; K471-A475 WeakPolarHBondContact O-CB 3.39Å; K471-A475 PolarHBondContact O-N 3.1Å; V472-A475 PolarHBondContact O-N 3.03Å; A475-A477 VanDerWaalsContact C-N 3.31Å; A475-A477 PolarHBondContact O-N 3.48Å; A475-R478 PolarHBondContact O-N 3.47Å; A475-D479 PolarHBondContact O-N 3.34Å
476	V	88.5	Confident	86.6	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.2	-42.4	174.4	-176.2	0	0	0	0	111.1	Y212 I229 V472 L473 D479 F482 I485	Y212-V476 HydrophobicContact CD1-CG2 4.25Å; Y212-V476 HydrophobicContact CD2-CG2 3.58Å; Y212-V476 HydrophobicContact CE1-CB 4.37Å; Y212-V476 HydrophobicContact CE1-CG2 4Å; Y212-V476 HydrophobicContact CE2-CB 4.17Å; Y212-V476 HydrophobicContact CE2-CG1 4.43Å; Y212-V476 HydrophobicContact CE2-CG2 3.28Å; Y212-V476 HydrophobicContact CG-CG2 4.04Å; Y212-V476 WeakPolarHBondContact OH-CA 3.23Å; I229-V476 HydrophobicContact CG1-CG1 4.37Å; V472-V476 HydrophobicContact CG1-CG2 4.43Å; V472-V476 WeakPolarHBondContact O-CG2 3.36Å; V472-V476 PolarHBondContact O-N 3.18Å; L473-V476 PolarHBondContact O-N 2.78Å; V476-D479 PolarHBondContact O-N 3.18Å; V476-F482 HydrophobicContact CG1-CD2 4.11Å; V476-F482 HydrophobicContact CG1-CE2 4.31Å; V476-I485 HydrophobicContact CB-CD1 4.35Å; V476-I485 HydrophobicContact CG1-CD1 3.69Å
477	A	88.9	Confident	86.6	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-68.7	-33.7	-179.5	0	0	0	0	0	113.1	L473 Q474 A475 R480 I485 F488 A489	L473-A477 VanDerWaalsContact O-CB 3.3Å; L473-A477 WeakPolarHBondContact O-CB 3.39Å; L473-A477 PolarHBondContact O-N 2.92Å; Q474-A477 PolarHBondContact O-N 2.66Å; A475-A477 VanDerWaalsContact C-N 3.31Å; A475-A477 PolarHBondContact O-N 3.48Å; A477-R480 PolarHBondContact O-N 3.29Å; A477-I485 HydrophobicContact CB-CD1 4.31Å; A477-I485 HydrophobicContact CB-CG1 4.05Å; A477-I485 VanDerWaalsContact CB-O 3.28Å; A477-I485 WeakPolarHBondContact CB-O 3.14Å; A477-F488 HydrophobicContact CB-CB 4.2Å; A477-A489 HydrophobicContact CB-CB 3.77Å
478	R	86.7	Confident	86.7	Confident	104 Å²	104	46.1 Å²	46.1	39%	0.392	21%	0.213	S	C	.	.	H	α-helix	trans	-66.8	-36.7	176.7	-78.3	176.2	-170.5	178.6	5	113	Q474 A475 R480 A489 D496	Q474-R478 VanDerWaalsContact O-CG 3.32Å; Q474-R478 WeakPolarHBondContact O-CG 3.37Å; Q474-R478 PolarHBondContact O-N 2.83Å; A475-R478 PolarHBondContact O-N 3.47Å; R478-R480 PolarHBondContact O-N 2.76Å; R478-A489 HydrophobicContact CG-CB 3.99Å; R478-A489 PolarHBondContact NE-O 3.45Å; R478-D496 IonicContact CZ-OD1 3.57Å; R478-D496 IonicContact CZ-OD2 3.78Å; R478-D496 IonicContact NH1-OD2 2.63Å; R478-D496 PolarHBondContact NH1-OD2 3.21Å; R478-D496 IonicContact NH2-OD1 3.19Å; R478-D496 PolarHBondContact NH2-OD1 3.17Å; R478-D496 IonicContact NH2-OD2 3.15Å; R478-D496 PolarHBondContact NH2-OD2 2.75Å
479	D	84.9	Confident	86.6	Confident	32 Å²	32	46.6 Å²	46.6	17%	0.171	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-6.6	176.8	-77.1	-27	0	0	0	112.7	Y212 R217 A475 V476 I481 W605	Y212-D479 WeakPolarHBondContact CE1-OD2 3.36Å; Y212-D479 PolarHBondContact OH-OD2 3.47Å; R217-D479 IonicContact NH2-OD1 2.8Å; R217-D479 PolarHBondContact NH2-OD1 2.99Å; R217-D479 VanDerWaalsContact NH2-OD1 3.1Å; A475-D479 PolarHBondContact O-N 3.34Å; V476-D479 PolarHBondContact O-N 3.18Å; D479-I481 HydrophobicContact CB-CD1 4.15Å; D479-I481 HydrophobicContact CB-CG1 3.78Å; D479-I481 PolarHBondContact O-N 3.21Å; D479-W605 HydrophobicContact CB-CH2 3.55Å; D479-W605 HydrophobicContact CB-CZ2 3.86Å; D479-W605 VanDerWaalsContact CG-CZ2 3.44Å; D479-W605 WeakPolarHBondContact OD2-CH2 3.31Å
480	R	83.5	Confident	86.4	Confident	192 Å²	192	53 Å²	53	73%	0.725	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	26.3	177.7	-60.9	-175.8	-175.6	179.3	1.9	113.8	A477 R478 F482 R599	A477-R480 PolarHBondContact O-N 3.29Å; R478-R480 PolarHBondContact O-N 2.76Å; R480-F482 PolarHBondContact O-N 3.38Å; R480-R599 PolarHBondContact O-NH1 3.04Å
481	I	82.5	Confident	86	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	-62.1	-36	176.5	-54.8	-178.5	0	0	0	110.5	Y212 P221 D479 L596 R599 W605	Y212-I481 WeakPolarHBondContact OH-CD1 3.34Å; P221-I481 HydrophobicContact CB-CD1 4.45Å; D479-I481 HydrophobicContact CB-CD1 4.15Å; D479-I481 HydrophobicContact CB-CG1 3.78Å; D479-I481 PolarHBondContact O-N 3.21Å; I481-L596 HydrophobicContact CG2-CD1 4.08Å; I481-L596 HydrophobicContact CG2-CD2 3.34Å; I481-L596 HydrophobicContact CG2-CG 4.33Å; I481-R599 PolarHBondContact O-NH1 3.09Å; I481-W605 HydrophobicContact CD1-CH2 3.6Å; I481-W605 HydrophobicContact CD1-CZ3 3.58Å; I481-W605 HydrophobicContact CG1-CH2 3.95Å; I481-W605 HydrophobicContact CG1-CZ3 4.28Å
482	F	84.6	Confident	85.6	Confident	14 Å²	14	52.8 Å²	52.8	6%	0.061	26%	0.256	C	S	.	.	S	Bend	trans	-112.4	122.4	168.9	-58.3	-90.9	0	0	0	108.4	I229 V476 R480 Y484 I485 L592 Y595 L596	I229-F482 HydrophobicContact CD1-CD1 4.43Å; I229-F482 HydrophobicContact CD1-CD2 3.75Å; I229-F482 HydrophobicContact CD1-CE1 4.04Å; I229-F482 HydrophobicContact CD1-CE2 3.29Å; I229-F482 HydrophobicContact CD1-CG 4.3Å; I229-F482 HydrophobicContact CD1-CZ 3.44Å; I229-F482 VanDerWaalsContact CD1-CZ 3.44Å; I229-F482 HydrophobicContact CG1-CE2 4.12Å; V476-F482 HydrophobicContact CG1-CD2 4.11Å; V476-F482 HydrophobicContact CG1-CE2 4.31Å; R480-F482 PolarHBondContact O-N 3.38Å; F482-Y484 VanDerWaalsContact C-N 3.35Å; F482-Y484 PolarHBondContact O-N 3.4Å; F482-I485 HydrophobicContact CB-CD1 3.65Å; F482-I485 HydrophobicContact CB-CG1 3.72Å; F482-I485 HydrophobicContact CB-CG2 4.34Å; F482-I485 HydrophobicContact CD2-CD1 3.82Å; F482-I485 HydrophobicContact CG-CD1 4.12Å; F482-I485 WeakPolarHBondContact O-CG1 3.2Å; F482-L592 HydrophobicContact CE1-CD2 3.73Å; F482-L592 HydrophobicContact CZ-CD2 3.97Å; F482-Y595 AromaticContact CD1-CD1 3.94Å; F482-Y595 HydrophobicContact CD1-CD1 3.94Å; F482-Y595 AromaticContact CD1-CE1 3.61Å; F482-Y595 HydrophobicContact CD1-CE1 3.61Å; F482-Y595 AromaticContact CE1-CD1 3.78Å; F482-Y595 HydrophobicContact CE1-CD1 3.78Å; F482-Y595 AromaticContact CE1-CE1 3.96Å; F482-Y595 HydrophobicContact CE1-CE1 3.96Å; F482-L596 HydrophobicContact CD1-CD2 4.16Å; F482-L596 HydrophobicContact CE1-CD1 4.44Å; F482-L596 HydrophobicContact CE1-CD2 3.66Å; F482-L596 HydrophobicContact CE1-CG 4.11Å; F482-L596 HydrophobicContact CE2-CD1 4.24Å; F482-L596 HydrophobicContact CE2-CD2 4.14Å; F482-L596 HydrophobicContact CZ-CD1 3.73Å; F482-L596 HydrophobicContact CZ-CD2 3.66Å; F482-L596 HydrophobicContact CZ-CG 3.89Å
483	P	77.9	Confident	84.6	Confident	54 Å²	54	62.4 Å²	62.4	35%	0.351	30%	0.297	S	S	.	.	S	Bend	trans	-68.4	-35.6	-173	23.5	-27.1	0	0	0	112.4	G486 Y595	P483-G486 PolarHBondContact O-N 3.18Å; P483-Y595 WeakPolarHBondContact CD-OH 3.4Å
484	Y	83.9	Confident	83.8	Confident	203 Å²	203	71.2 Å²	71.2	80%	0.796	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-76.9	-27.2	-173	-62.2	-66.7	0	0	0	113.8	F482 G486	F482-Y484 VanDerWaalsContact C-N 3.35Å; F482-Y484 PolarHBondContact O-N 3.4Å; Y484-G486 PolarHBondContact O-N 3.35Å
485	I	86.4	Confident	82.8	Confident	34 Å²	34	73.9 Å²	73.9	17%	0.174	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-79.6	-2.9	176.7	71.3	178.7	0	0	0	112.8	V476 A477 F482 F487 F488	V476-I485 HydrophobicContact CB-CD1 4.35Å; V476-I485 HydrophobicContact CG1-CD1 3.69Å; A477-I485 HydrophobicContact CB-CD1 4.31Å; A477-I485 HydrophobicContact CB-CG1 4.05Å; A477-I485 VanDerWaalsContact CB-O 3.28Å; A477-I485 WeakPolarHBondContact CB-O 3.14Å; F482-I485 HydrophobicContact CB-CD1 3.65Å; F482-I485 HydrophobicContact CB-CG1 3.72Å; F482-I485 HydrophobicContact CB-CG2 4.34Å; F482-I485 HydrophobicContact CD2-CD1 3.82Å; F482-I485 HydrophobicContact CG-CD1 4.12Å; F482-I485 WeakPolarHBondContact O-CG1 3.2Å; I485-F487 PolarHBondContact O-N 2.66Å; I485-F488 HydrophobicContact CB-CD2 4.35Å; I485-F488 PolarHBondContact O-N 3.39Å
486	G	83.8	Confident	82.5	Confident	32 Å²	32	76.7 Å²	76.7	33%	0.33	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-56.3	-19.9	179.4	0	0	0	0	0	113.7	P483 Y484 F488 A489	P483-G486 PolarHBondContact O-N 3.18Å; Y484-G486 PolarHBondContact O-N 3.35Å; G486-F488 VanDerWaalsContact C-N 3.26Å; G486-F488 PolarHBondContact O-N 3.44Å; G486-A489 VanDerWaalsContact O-CB 3.28Å; G486-A489 WeakPolarHBondContact O-CB 3.37Å; G486-A489 PolarHBondContact O-N 2.79Å
487	F	87.6	Confident	82.2	Confident	113 Å²	113	78 Å²	78	50%	0.496	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-56.3	-36.1	169.8	179.1	-100.9	0	0	0	113.5	I485 A489 R500	I485-F487 PolarHBondContact O-N 2.66Å; F487-A489 VanDerWaalsContact C-N 3.33Å; F487-R500 VanDerWaalsContact CD2-NH1 3.29Å; F487-R500 HydrophobicContact CE1-CB 4.25Å; F487-R500 HydrophobicContact CE1-CG 4.02Å; F487-R500 VanDerWaalsContact CE2-NH1 3.34Å; F487-R500 HydrophobicContact CZ-CG 4.28Å; F487-R500 VanDerWaalsContact O-CD 3.27Å; F487-R500 WeakPolarHBondContact O-CD 3.2Å; F487-R500 PolarHBondContact O-NH1 3.29Å
488	F	89.8	Confident	82.1	Confident	44 Å²	44	78 Å²	78	19%	0.193	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-82.5	-6.9	180	-62.3	-74.1	0	0	0	113.7	L473 A477 I485 G486 K490 R500 L504	L473-F488 HydrophobicContact CD2-CB 4.35Å; L473-F488 HydrophobicContact CD2-CD1 4.31Å; L473-F488 HydrophobicContact CD2-CD2 4.4Å; L473-F488 HydrophobicContact CD2-CG 4.11Å; L473-F488 HydrophobicContact CG-CB 4.38Å; A477-F488 HydrophobicContact CB-CB 4.2Å; I485-F488 HydrophobicContact CB-CD2 4.35Å; I485-F488 PolarHBondContact O-N 3.39Å; G486-F488 VanDerWaalsContact C-N 3.26Å; G486-F488 PolarHBondContact O-N 3.44Å; F488-K490 VanDerWaalsContact C-N 3.3Å; F488-K490 PolarHBondContact O-N 3.12Å; F488-R500 HydrophobicContact CD1-CB 3.82Å; F488-R500 HydrophobicContact CE1-CB 4.25Å; F488-L504 HydrophobicContact CE1-CB 3.99Å; F488-L504 HydrophobicContact CE1-CD2 4.02Å; F488-L504 HydrophobicContact CE2-CD2 4.27Å; F488-L504 HydrophobicContact CZ-CB 4.41Å; F488-L504 HydrophobicContact CZ-CD2 3.81Å
489	A	83.8	Confident	82.1	Confident	21 Å²	21	77 Å²	77	17%	0.174	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-70.4	-25.4	-178.6	0	0	0	0	0	113.5	A477 R478 G486 F487 G491	A477-A489 HydrophobicContact CB-CB 3.77Å; R478-A489 HydrophobicContact CG-CB 3.99Å; R478-A489 PolarHBondContact NE-O 3.45Å; G486-A489 VanDerWaalsContact O-CB 3.28Å; G486-A489 WeakPolarHBondContact O-CB 3.37Å; G486-A489 PolarHBondContact O-N 2.79Å; F487-A489 VanDerWaalsContact C-N 3.33Å; A489-G491 PolarHBondContact O-N 3.13Å
490	K	86.4	Confident	82.3	Confident	136 Å²	136	79.7 Å²	79.7	59%	0.591	39%	0.385	S	S	*	.			trans	-75.7	113	-174	-172.5	176.6	-178.5	178.7	0	110.7	F488	F488-K490 VanDerWaalsContact C-N 3.3Å; F488-K490 PolarHBondContact O-N 3.12Å
491	G	83.2	Confident	82.7	Confident	16 Å²	16	70.6 Å²	70.6	17%	0.165	35%	0.351	C	S	.	.			trans	-80.6	167.2	169.6	0	0	0	0	0	113.5	Q474 A489 E497	Q474-G491 VanDerWaalsContact NE2-CA 3.34Å; A489-G491 PolarHBondContact O-N 3.13Å; G491-E497 CarbonylContact C-O 3.26Å; G491-E497 VanDerWaalsContact CA-O 3.31Å; G491-E497 WeakPolarHBondContact CA-O 3.45Å
492	S	79	Confident	83.1	Confident	49 Å²	49	70.7 Å²	70.7	34%	0.343	35%	0.352	S	S	.	.			trans	-63.5	145.1	169.9	-176.9	0	0	0	0	111	K494 D496 E497	S492-K494 VanDerWaalsContact C-N 3.27Å; S492-K494 PolarHBondContact O-N 2.97Å; S492-D496 VanDerWaalsContact O-CA 3.27Å; S492-D496 WeakPolarHBondContact O-CA 3.37Å; S492-D496 PolarHBondContact O-N 2.79Å; S492-E497 PolarHBondContact N-O 3.11Å
493	K	67.8	Low	83.5	Confident	209 Å²	209	75.4 Å²	75.4	91%	0.909	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-29.3	-173.4	-70.1	-175.8	178.7	-179.3	0	114.5
494	K	72.1	Confident	84.2	Confident	207 Å²	207	75.9 Å²	75.9	90%	0.9	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-37.3	-172.7	-67	-174.8	179.4	-178.5	0	113.4	S492	S492-K494 VanDerWaalsContact C-N 3.27Å; S492-K494 PolarHBondContact O-N 2.97Å
495	S	70.6	Confident	84.6	Confident	68 Å²	68	66.4 Å²	66.4	48%	0.476	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.7	7.3	-168.1	46.8	0	0	0	0	113.6	E497	S495-E497 PolarHBondContact O-N 3.35Å; S495-E497 WeakPolarHBondContact OG-CG 3.18Å
496	D	80	Confident	84.9	Confident	83 Å²	83	67 Å²	67	44%	0.444	34%	0.341	S	S	.	.			trans	58.1	18	179.4	-158.7	28.5	0	0	0	114.9	Q474 R478 S492	Q474-D496 PolarHBondContact NE2-O 3.43Å; R478-D496 IonicContact CZ-OD1 3.57Å; R478-D496 IonicContact CZ-OD2 3.78Å; R478-D496 IonicContact NH1-OD2 2.63Å; R478-D496 PolarHBondContact NH1-OD2 3.21Å; R478-D496 IonicContact NH2-OD1 3.19Å; R478-D496 PolarHBondContact NH2-OD1 3.17Å; R478-D496 IonicContact NH2-OD2 3.15Å; R478-D496 PolarHBondContact NH2-OD2 2.75Å; S492-D496 VanDerWaalsContact O-CA 3.27Å; S492-D496 WeakPolarHBondContact O-CA 3.37Å; S492-D496 PolarHBondContact O-N 2.79Å
497	E	81.9	Confident	85.5	Confident	27 Å²	27	68.2 Å²	68.2	13%	0.126	35%	0.348	C	S	.	.			trans	-70.5	138	-175	-62.1	-66.3	171.4	0	0	113.3	L288 G491 S492 S495 V499 Y502	L288-E497 WeakPolarHBondContact CD1-OE1 3.45Å; L288-E497 WeakPolarHBondContact CD1-OE2 3.26Å; L288-E497 WeakPolarHBondContact CG-OE1 3.34Å; G491-E497 CarbonylContact C-O 3.26Å; G491-E497 VanDerWaalsContact CA-O 3.31Å; G491-E497 WeakPolarHBondContact CA-O 3.45Å; S492-E497 PolarHBondContact N-O 3.11Å; S495-E497 PolarHBondContact O-N 3.35Å; S495-E497 WeakPolarHBondContact OG-CG 3.18Å; E497-V499 VanDerWaalsContact C-N 3.34Å; E497-V499 PolarHBondContact O-N 3.49Å; E497-Y502 HydrophobicContact CB-CE2 4.3Å; E497-Y502 PolarHBondContact OE2-OH 3.05Å
498	P	87.4	Confident	85.8	Confident	1 Å²	1	65.5 Å²	65.5	1%	0.006	34%	0.338	C	S	.	.			trans	-81	66.2	-176.9	33.2	-37	0	0	0	113.5	P470 K471 Q474 R500 G501 Y502	P470-P498 HydrophobicContact CB-CB 4.06Å; P470-P498 HydrophobicContact CB-CG 3.53Å; K471-P498 HydrophobicContact CG-CG 4.44Å; Q474-P498 HydrophobicContact CB-CB 3.87Å; Q474-P498 HydrophobicContact CG-CB 4.09Å; P498-R500 PolarHBondContact O-N 2.63Å; P498-R500 VanDerWaalsContact O-N 3.09Å; P498-G501 CarbonylContact O-C 3.53Å; P498-G501 WeakPolarHBondContact O-CA 3.2Å; P498-G501 PolarHBondContact O-N 3.26Å; P498-Y502 HydrophobicContact CG-CD2 4.34Å; P498-Y502 HydrophobicContact CG-CE2 3.88Å; P498-Y502 WeakPolarHBondContact O-CD2 3.44Å; P498-Y502 PolarHBondContact O-N 3.35Å
499	V	86.7	Confident	85.9	Confident	82 Å²	82	63.6 Å²	63.6	50%	0.497	33%	0.33	S	S	.	.	H	α-helix	trans	-49.9	-41.1	-179.5	-177	0	0	0	0	113.1	E497 Y502 L503	E497-V499 VanDerWaalsContact C-N 3.34Å; E497-V499 PolarHBondContact O-N 3.49Å; V499-Y502 PolarHBondContact O-N 3.36Å; V499-L503 PolarHBondContact O-N 2.87Å; V499-L503 VanDerWaalsContact O-N 3.14Å
500	R	90.3	Very high	86.4	Confident	88 Å²	88	64.2 Å²	64.2	33%	0.332	33%	0.331	S	S	.	.	H	α-helix	trans	-68.9	-36.2	177.4	-65.4	169.6	176	-173.7	-6	112.6	F487 F488 P498 L504	F487-R500 VanDerWaalsContact CD2-NH1 3.29Å; F487-R500 HydrophobicContact CE1-CB 4.25Å; F487-R500 HydrophobicContact CE1-CG 4.02Å; F487-R500 VanDerWaalsContact CE2-NH1 3.34Å; F487-R500 HydrophobicContact CZ-CG 4.28Å; F487-R500 VanDerWaalsContact O-CD 3.27Å; F487-R500 WeakPolarHBondContact O-CD 3.2Å; F487-R500 PolarHBondContact O-NH1 3.29Å; F488-R500 HydrophobicContact CD1-CB 3.82Å; F488-R500 HydrophobicContact CE1-CB 4.25Å; P498-R500 PolarHBondContact O-N 2.63Å; P498-R500 VanDerWaalsContact O-N 3.09Å; R500-L504 PolarHBondContact O-N 2.9Å
501	G	90.9	Very high	86.8	Confident	1 Å²	1	60 Å²	60	1%	0.01	33%	0.326	C	S	.	.	H	α-helix	trans	-67.6	-41.6	174.4	0	0	0	0	0	111.1	P498 L503 L504 T505	P498-G501 CarbonylContact O-C 3.53Å; P498-G501 WeakPolarHBondContact O-CA 3.2Å; P498-G501 PolarHBondContact O-N 3.26Å; G501-L503 VanDerWaalsContact C-N 3.32Å; G501-L503 PolarHBondContact O-N 3.4Å; G501-L504 PolarHBondContact O-N 3.4Å; G501-L504 VanDerWaalsContact O-N 3.16Å; G501-T505 PolarHBondContact O-N 3.34Å; G501-T505 PolarHBondContact O-OG1 3.48Å
502	Y	91.5	Very high	87.2	Confident	3 Å²	3	60.5 Å²	60.5	1%	0.012	33%	0.325	C	S	.	.	H	α-helix	trans	-56.7	-45.1	174.4	-72.3	-53.9	0	0	0	111.9	V284 T466 P470 E497 P498 V499 L504 T505 F506	V284-Y502 HydrophobicContact CB-CE1 4.47Å; V284-Y502 HydrophobicContact CG1-CD1 3.55Å; V284-Y502 HydrophobicContact CG1-CD2 4.34Å; V284-Y502 HydrophobicContact CG1-CE1 3.09Å; V284-Y502 HydrophobicContact CG1-CE2 3.93Å; V284-Y502 HydrophobicContact CG1-CG 4.2Å; T466-Y502 WeakPolarHBondContact O-CE1 3.49Å; P470-Y502 HydrophobicContact CB-CD1 3.96Å; P470-Y502 HydrophobicContact CB-CE1 3.97Å; P470-Y502 HydrophobicContact CB-CG 4.39Å; P470-Y502 HydrophobicContact CG-CD1 3.48Å; P470-Y502 VanDerWaalsContact CG-CD1 3.48Å; P470-Y502 HydrophobicContact CG-CE1 3.73Å; P470-Y502 HydrophobicContact CG-CG 4.21Å; E497-Y502 HydrophobicContact CB-CE2 4.3Å; E497-Y502 PolarHBondContact OE2-OH 3.05Å; P498-Y502 HydrophobicContact CG-CD2 4.34Å; P498-Y502 HydrophobicContact CG-CE2 3.88Å; P498-Y502 WeakPolarHBondContact O-CD2 3.44Å; P498-Y502 PolarHBondContact O-N 3.35Å; V499-Y502 PolarHBondContact O-N 3.36Å; Y502-L504 PolarHBondContact O-N 2.93Å; Y502-T505 PolarHBondContact O-N 3.39Å; Y502-F506 VanDerWaalsContact O-CB 3.23Å; Y502-F506 WeakPolarHBondContact O-CB 3.46Å; Y502-F506 PolarHBondContact O-N 2.88Å
503	L	92.2	Very high	87.9	Confident	113 Å²	113	58.2 Å²	58.2	59%	0.592	31%	0.309	S	S	*	.	H	α-helix	trans	-63.6	-40.3	176.9	-172.1	67.3	0	0	0	112.6	V499 G501 F506 A507	V499-L503 PolarHBondContact O-N 2.87Å; V499-L503 VanDerWaalsContact O-N 3.14Å; G501-L503 VanDerWaalsContact C-N 3.32Å; G501-L503 PolarHBondContact O-N 3.4Å; L503-F506 PolarHBondContact O-N 2.9Å; L503-A507 WeakPolarHBondContact O-CB 3.13Å; L503-A507 PolarHBondContact O-N 3.44Å
504	L	92.5	Very high	89.1	Confident	63 Å²	63	50.2 Å²	50.2	33%	0.33	28%	0.282	S	S	.	.	H	α-helix	trans	-66.4	-47.3	177	179.9	67.2	0	0	0	111.6	L473 F488 R500 G501 Y502 F506 A507 I508	L473-L504 HydrophobicContact CD2-CD2 3.51Å; F488-L504 HydrophobicContact CE1-CB 3.99Å; F488-L504 HydrophobicContact CE1-CD2 4.02Å; F488-L504 HydrophobicContact CE2-CD2 4.27Å; F488-L504 HydrophobicContact CZ-CB 4.41Å; F488-L504 HydrophobicContact CZ-CD2 3.81Å; R500-L504 PolarHBondContact O-N 2.9Å; G501-L504 PolarHBondContact O-N 3.4Å; G501-L504 VanDerWaalsContact O-N 3.16Å; Y502-L504 PolarHBondContact O-N 2.93Å; L504-F506 VanDerWaalsContact C-N 3.31Å; L504-F506 PolarHBondContact O-N 3.38Å; L504-A507 PolarHBondContact O-N 2.89Å; L504-I508 HydrophobicContact CD1-CD1 4.36Å; L504-I508 HydrophobicContact CG-CD1 4.09Å; L504-I508 WeakPolarHBondContact O-CG1 3.49Å; L504-I508 PolarHBondContact O-N 3.5Å
505	T	93	Very high	89.9	Confident	4 Å²	4	43.3 Å²	43.3	3%	0.025	25%	0.254	C	S	.	.	H	α-helix	trans	-59.6	-44.7	176.2	-67.4	0	0	0	0	110.4	A236 A469 P470 G501 Y502 A507 I508 T509	A236-T505 HydrophobicContact CB-CG2 3.94Å; A469-T505 HydrophobicContact CB-CG2 4.02Å; P470-T505 WeakPolarHBondContact CD-OG1 3.34Å; P470-T505 HydrophobicContact CG-CG2 4.41Å; P470-T505 WeakPolarHBondContact CG-OG1 3.28Å; G501-T505 PolarHBondContact O-N 3.34Å; G501-T505 PolarHBondContact O-OG1 3.48Å; Y502-T505 PolarHBondContact O-N 3.39Å; T505-A507 PolarHBondContact O-N 2.89Å; T505-I508 PolarHBondContact O-N 3.32Å; T505-T509 WeakPolarHBondContact O-CB 3.3Å; T505-T509 PolarHBondContact O-N 3.44Å; T505-T509 PolarHBondContact O-OG1 2.92Å
506	F	93.3	Very high	90.5	Very high	46 Å²	46	40.2 Å²	40.2	20%	0.202	23%	0.233	C	C	.	.	H	α-helix	trans	-57.1	-46.8	174.7	174.8	-100.7	0	0	0	112.4	A277 I278 L281 Y502 L503 L504 I508 T509 V510	A277-F506 HydrophobicContact CB-CD2 4.28Å; A277-F506 HydrophobicContact CB-CE2 3.81Å; I278-F506 HydrophobicContact CG1-CE2 3.92Å; I278-F506 HydrophobicContact CG1-CZ 3.67Å; L281-F506 HydrophobicContact CB-CD2 4.06Å; L281-F506 HydrophobicContact CB-CE2 4.45Å; L281-F506 HydrophobicContact CD1-CB 4.33Å; L281-F506 HydrophobicContact CD2-CB 4.22Å; L281-F506 HydrophobicContact CD2-CD1 4.1Å; L281-F506 HydrophobicContact CD2-CD2 3.86Å; L281-F506 HydrophobicContact CD2-CE1 4.46Å; L281-F506 HydrophobicContact CD2-CE2 4.24Å; L281-F506 HydrophobicContact CD2-CG 3.79Å; L281-F506 HydrophobicContact CG-CD2 4.45Å; Y502-F506 VanDerWaalsContact O-CB 3.23Å; Y502-F506 WeakPolarHBondContact O-CB 3.46Å; Y502-F506 PolarHBondContact O-N 2.88Å; L503-F506 PolarHBondContact O-N 2.9Å; L504-F506 VanDerWaalsContact C-N 3.31Å; L504-F506 PolarHBondContact O-N 3.38Å; F506-I508 PolarHBondContact O-N 2.95Å; F506-T509 PolarHBondContact O-N 2.71Å; F506-V510 HydrophobicContact CD1-CG2 4.33Å; F506-V510 HydrophobicContact CD2-CG2 4.06Å; F506-V510 HydrophobicContact CE1-CG2 3.95Å; F506-V510 HydrophobicContact CE2-CG2 3.65Å; F506-V510 HydrophobicContact CG-CG2 4.38Å; F506-V510 HydrophobicContact CZ-CG2 3.59Å; F506-V510 WeakPolarHBondContact O-CB 3.21Å; F506-V510 VanDerWaalsContact O-CG2 3.31Å; F506-V510 WeakPolarHBondContact O-CG2 3.49Å; F506-V510 PolarHBondContact O-N 3.16Å
507	A	94.6	Very high	90.8	Very high	59 Å²	59	38.8 Å²	38.8	49%	0.488	23%	0.225	S	C	.	.	H	α-helix	trans	-61.5	-41.6	177.8	0	0	0	0	0	112.5	L503 L504 T505 G511	L503-A507 WeakPolarHBondContact O-CB 3.13Å; L503-A507 PolarHBondContact O-N 3.44Å; L504-A507 PolarHBondContact O-N 2.89Å; T505-A507 PolarHBondContact O-N 2.89Å; A507-G511 PolarHBondContact O-N 3.44Å
508	I	94	Very high	90.9	Very high	55 Å²	55	37.8 Å²	37.8	28%	0.282	22%	0.221	S	C	.	.	H	α-helix	trans	-64.2	-48.1	175.2	-65.6	167.7	0	0	0	110.1	A236 V237 L504 T505 F506 V510 G511 I512	A236-I508 HydrophobicContact CB-CB 4.22Å; A236-I508 HydrophobicContact CB-CD1 4.33Å; A236-I508 HydrophobicContact CB-CG2 3.88Å; V237-I508 HydrophobicContact CG2-CG2 4.36Å; L504-I508 HydrophobicContact CD1-CD1 4.36Å; L504-I508 HydrophobicContact CG-CD1 4.09Å; L504-I508 WeakPolarHBondContact O-CG1 3.49Å; L504-I508 PolarHBondContact O-N 3.5Å; T505-I508 PolarHBondContact O-N 3.32Å; F506-I508 PolarHBondContact O-N 2.95Å; I508-V510 PolarHBondContact O-N 2.97Å; I508-G511 PolarHBondContact O-N 3.39Å; I508-I512 HydrophobicContact CG2-CG1 4.47Å; I508-I512 WeakPolarHBondContact O-CG1 3.38Å; I508-I512 PolarHBondContact O-N 3.04Å
509	T	93.4	Very high	90.8	Very high	4 Å²	4	39.1 Å²	39.1	3%	0.025	23%	0.228	C	C	.	.	H	α-helix	trans	-59.6	-48.3	-179.6	-61.7	0	0	0	0	111.5	A236 A239 A240 L243 T505 F506 G511 I512 I513	A236-T509 PolarHBondContact O-OG1 3.13Å; A239-T509 HydrophobicContact CB-CG2 4.15Å; A240-T509 HydrophobicContact CB-CG2 4.05Å; L243-T509 HydrophobicContact CD1-CG2 3.84Å; T505-T509 WeakPolarHBondContact O-CB 3.3Å; T505-T509 PolarHBondContact O-N 3.44Å; T505-T509 PolarHBondContact O-OG1 2.92Å; F506-T509 PolarHBondContact O-N 2.71Å; T509-G511 VanDerWaalsContact C-N 3.34Å; T509-G511 PolarHBondContact O-N 3.11Å; T509-I512 PolarHBondContact O-N 3.47Å; T509-I513 HydrophobicContact CG2-CD1 3.84Å; T509-I513 VanDerWaalsContact O-CG1 3.27Å; T509-I513 WeakPolarHBondContact O-CG1 3.43Å; T509-I513 PolarHBondContact O-N 2.94Å
510	V	93.6	Very high	90.7	Very high	34 Å²	34	41.5 Å²	41.5	21%	0.206	23%	0.233	C	C	.	.	H	α-helix	trans	-61.5	-41.1	177.3	167.3	0	0	0	0	111.8	W274 A277 F506 I508 I513 A514	W274-V510 HydrophobicContact CG-CG1 4.46Å; W274-V510 PolarHBondContact NE1-O 3.39Å; A277-V510 HydrophobicContact CB-CG2 4.21Å; F506-V510 HydrophobicContact CD1-CG2 4.33Å; F506-V510 HydrophobicContact CD2-CG2 4.06Å; F506-V510 HydrophobicContact CE1-CG2 3.95Å; F506-V510 HydrophobicContact CE2-CG2 3.65Å; F506-V510 HydrophobicContact CG-CG2 4.38Å; F506-V510 HydrophobicContact CZ-CG2 3.59Å; F506-V510 WeakPolarHBondContact O-CB 3.21Å; F506-V510 VanDerWaalsContact O-CG2 3.31Å; F506-V510 WeakPolarHBondContact O-CG2 3.49Å; F506-V510 PolarHBondContact O-N 3.16Å; I508-V510 PolarHBondContact O-N 2.97Å; V510-I513 PolarHBondContact O-N 2.89Å; V510-A514 PolarHBondContact O-N 3.39Å; V510-A514 VanDerWaalsContact O-N 3.17Å
511	G	93.9	Very high	90.5	Very high	47 Å²	47	37.3 Å²	37.3	49%	0.485	22%	0.218	S	C	.	.	H	α-helix	trans	-64.5	-37.1	177.3	0	0	0	0	0	113.3	A507 I508 T509 A514	A507-G511 PolarHBondContact O-N 3.44Å; I508-G511 PolarHBondContact O-N 3.39Å; T509-G511 VanDerWaalsContact C-N 3.34Å; T509-G511 PolarHBondContact O-N 3.11Å; G511-A514 WeakPolarHBondContact O-CB 3.4Å
512	I	93.2	Very high	90.2	Very high	28 Å²	28	37.2 Å²	37.2	14%	0.144	22%	0.217	C	C	.	.	H	α-helix	trans	-74.9	-39.2	176	-63.5	-63.9	0	0	0	111.5	V237 A240 I508 T509 A514 I515 I521 L524	V237-I512 HydrophobicContact CG1-CD1 4.49Å; V237-I512 HydrophobicContact CG1-CG1 4.25Å; V237-I512 HydrophobicContact CG1-CG2 4.09Å; V237-I512 HydrophobicContact CG2-CG1 4.34Å; A240-I512 HydrophobicContact CB-CB 3.69Å; A240-I512 HydrophobicContact CB-CG2 3.51Å; I508-I512 HydrophobicContact CG2-CG1 4.47Å; I508-I512 WeakPolarHBondContact O-CG1 3.38Å; I508-I512 PolarHBondContact O-N 3.04Å; T509-I512 PolarHBondContact O-N 3.47Å; I512-A514 PolarHBondContact O-N 2.78Å; I512-I515 WeakPolarHBondContact O-CB 2.98Å; I512-I515 WeakPolarHBondContact O-CG1 3.43Å; I512-I515 PolarHBondContact O-N 3.24Å; I512-I515 VanDerWaalsContact O-N 3.08Å; I512-I521 HydrophobicContact CG2-CB 4.38Å; I512-I521 HydrophobicContact CG2-CD1 4.1Å; I512-I521 HydrophobicContact CG2-CG1 4.03Å; I512-I521 HydrophobicContact CG2-CG2 3.38Å; I512-L524 HydrophobicContact CD1-CD2 3.95Å
513	I	93	Very high	90	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-58	-30	174.6	-71.5	169	0	0	0	111.2	A240 L243 A277 T509 V510 I515 G516	A240-I513 HydrophobicContact CB-CG1 3.89Å; L243-I513 HydrophobicContact CB-CD1 3.81Å; L243-I513 HydrophobicContact CD1-CD1 3.81Å; L243-I513 HydrophobicContact CG-CD1 4.49Å; A277-I513 HydrophobicContact CB-CD1 4.4Å; T509-I513 HydrophobicContact CG2-CD1 3.84Å; T509-I513 VanDerWaalsContact O-CG1 3.27Å; T509-I513 WeakPolarHBondContact O-CG1 3.43Å; T509-I513 PolarHBondContact O-N 2.94Å; V510-I513 PolarHBondContact O-N 2.89Å; I513-I515 PolarHBondContact O-N 3.09Å; I513-I515 VanDerWaalsContact O-N 3.09Å; I513-G516 WeakPolarHBondContact O-CA 3.48Å; I513-G516 PolarHBondContact O-N 2.82Å
514	A	92	Very high	89.7	Confident	40 Å²	40	35.5 Å²	35.5	33%	0.331	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-21	177.8	0	0	0	0	0	113.9	R270 W274 V510 G511 I512 G516	R270-A514 PolarHBondContact NE-O 2.9Å; R270-A514 PolarHBondContact NH2-O 3.23Å; W274-A514 HydrophobicContact CZ2-CB 4.24Å; V510-A514 PolarHBondContact O-N 3.39Å; V510-A514 VanDerWaalsContact O-N 3.17Å; G511-A514 WeakPolarHBondContact O-CB 3.4Å; I512-A514 PolarHBondContact O-N 2.78Å; A514-G516 VanDerWaalsContact C-N 3.31Å
515	I	90.5	Very high	89.7	Confident	63 Å²	63	32.5 Å²	32.5	32%	0.323	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-43.6	172	-62.5	171.4	0	0	0	109.5	R270 I512 I513 D517 Q520 I521	R270-I515 PolarHBondContact NH2-O 3.1Å; I512-I515 WeakPolarHBondContact O-CB 2.98Å; I512-I515 WeakPolarHBondContact O-CG1 3.43Å; I512-I515 PolarHBondContact O-N 3.24Å; I512-I515 VanDerWaalsContact O-N 3.08Å; I513-I515 PolarHBondContact O-N 3.09Å; I513-I515 VanDerWaalsContact O-N 3.09Å; I515-D517 VanDerWaalsContact C-N 3.28Å; I515-D517 PolarHBondContact O-N 2.95Å; I515-Q520 HydrophobicContact CG2-CB 4Å; I515-I521 HydrophobicContact CB-CD1 4.26Å; I515-I521 HydrophobicContact CB-CG1 4.03Å; I515-I521 HydrophobicContact CD1-CG1 4.06Å; I515-I521 HydrophobicContact CG2-CG1 4.1Å
516	G	82.4	Confident	89.6	Confident	3 Å²	3	32.3 Å²	32.3	3%	0.031	19%	0.193	C	C	.	.			trans	82.4	-10.2	173.2	0	0	0	0	0	115.7	I513 A514	I513-G516 WeakPolarHBondContact O-CA 3.48Å; I513-G516 PolarHBondContact O-N 2.82Å; A514-G516 VanDerWaalsContact C-N 3.31Å
517	D	86	Confident	89.6	Confident	52 Å²	52	30.3 Å²	30.3	28%	0.278	19%	0.185	S	C	.	.			trans	-116.4	120.2	179	-178.2	2.2	0	0	0	111.4	I515 N519 Q520 I521	I515-D517 VanDerWaalsContact C-N 3.28Å; I515-D517 PolarHBondContact O-N 2.95Å; D517-N519 VanDerWaalsContact C-N 3.26Å; D517-N519 PolarHBondContact O-N 3.41Å; D517-N519 PolarHBondContact OD1-N 3.23Å; D517-Q520 HydrophobicContact CB-CB 4.45Å; D517-Q520 HydrophobicContact CB-CG 4.28Å; D517-Q520 PolarHBondContact O-N 2.86Å; D517-Q520 PolarHBondContact OD2-NE2 2.93Å; D517-I521 WeakPolarHBondContact O-CD1 3.33Å; D517-I521 VanDerWaalsContact O-CG1 3.31Å; D517-I521 WeakPolarHBondContact O-CG1 3.38Å; D517-I521 PolarHBondContact O-N 3.29Å
518	I	85.3	Confident	89.4	Confident	7 Å²	7	29.4 Å²	29.4	4%	0.036	17%	0.17	C	C	.	.	H	α-helix	trans	-61	-36.3	-179.9	-61.8	171.6	0	0	0	111.1	M162 V241 A244 D248 Q520 I521 A522	M162-I518 HydrophobicContact CE-CG2 4.14Å; V241-I518 HydrophobicContact CG1-CG2 4.5Å; A244-I518 HydrophobicContact CB-CD1 4.43Å; A244-I518 HydrophobicContact CB-CG1 3.83Å; D248-I518 HydrophobicContact CB-CD1 4.15Å; I518-Q520 VanDerWaalsContact C-N 3.28Å; I518-Q520 PolarHBondContact O-N 3Å; I518-I521 PolarHBondContact O-N 3.4Å; I518-A522 WeakPolarHBondContact O-CB 3.38Å; I518-A522 PolarHBondContact O-N 2.91Å
519	N	84.4	Confident	89.4	Confident	29 Å²	29	27 Å²	27	16%	0.155	16%	0.157	C	C	.	.	H	α-helix	trans	-71.3	-25.5	-174.9	-64	-16.9	0	0	0	111.9	R166 D517 P523	R166-N519 PolarHBondContact NE-OD1 3.01Å; R166-N519 PolarHBondContact NH2-OD1 3.3Å; D517-N519 VanDerWaalsContact C-N 3.26Å; D517-N519 PolarHBondContact O-N 3.41Å; D517-N519 PolarHBondContact OD1-N 3.23Å; N519-P523 WeakPolarHBondContact O-CD 3.29Å
520	Q	84.8	Confident	89.4	Confident	131 Å²	131	26.8 Å²	26.8	61%	0.612	16%	0.156	S	C	*	.	H	α-helix	trans	-83.8	-31.6	174.1	-66.3	-177.1	27.6	0	0	113.2	I515 D517 I518	I515-Q520 HydrophobicContact CG2-CB 4Å; D517-Q520 HydrophobicContact CB-CB 4.45Å; D517-Q520 HydrophobicContact CB-CG 4.28Å; D517-Q520 PolarHBondContact O-N 2.86Å; D517-Q520 PolarHBondContact OD2-NE2 2.93Å; I518-Q520 VanDerWaalsContact C-N 3.28Å; I518-Q520 PolarHBondContact O-N 3Å
521	I	86.2	Confident	89.4	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-76.6	-33.4	179.7	-57.5	162.1	0	0	0	110.9	V237 V241 I512 I515 D517 I518 L524 I525	V237-I521 HydrophobicContact CG1-CG2 4.28Å; V241-I521 HydrophobicContact CG2-CB 3.81Å; V241-I521 HydrophobicContact CG2-CG2 3.37Å; I512-I521 HydrophobicContact CG2-CB 4.38Å; I512-I521 HydrophobicContact CG2-CD1 4.1Å; I512-I521 HydrophobicContact CG2-CG1 4.03Å; I512-I521 HydrophobicContact CG2-CG2 3.38Å; I515-I521 HydrophobicContact CB-CD1 4.26Å; I515-I521 HydrophobicContact CB-CG1 4.03Å; I515-I521 HydrophobicContact CD1-CG1 4.06Å; I515-I521 HydrophobicContact CG2-CG1 4.1Å; D517-I521 WeakPolarHBondContact O-CD1 3.33Å; D517-I521 VanDerWaalsContact O-CG1 3.31Å; D517-I521 WeakPolarHBondContact O-CG1 3.38Å; D517-I521 PolarHBondContact O-N 3.29Å; I518-I521 PolarHBondContact O-N 3.4Å; I521-L524 WeakPolarHBondContact O-CB 3.36Å; I521-L524 PolarHBondContact O-N 2.97Å; I521-L524 VanDerWaalsContact O-N 3.17Å; I521-I525 HydrophobicContact CG2-CD1 4.12Å; I521-I525 HydrophobicContact CG2-CG1 4.48Å; I521-I525 PolarHBondContact O-N 3.07Å
522	A	85.3	Confident	89.3	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.4	-44	-173.9	0	0	0	0	0	114.7	M162 V353 P356 I518 L524 I525 S526	M162-A522 HydrophobicContact CE-CB 4.34Å; V353-A522 HydrophobicContact CB-CB 4.43Å; V353-A522 HydrophobicContact CG2-CB 4.32Å; P356-A522 HydrophobicContact CG-CB 4.26Å; I518-A522 WeakPolarHBondContact O-CB 3.38Å; I518-A522 PolarHBondContact O-N 2.91Å; A522-L524 PolarHBondContact O-N 3.27Å; A522-I525 PolarHBondContact O-N 3.24Å; A522-S526 PolarHBondContact O-N 2.95Å; A522-S526 PolarHBondContact O-OG 3.5Å; A522-S526 VanDerWaalsContact O-OG 3.11Å
523	P	85.9	Confident	89.4	Confident	33 Å²	33	21.7 Å²	21.7	21%	0.214	12%	0.117	C	C	.	.	H	α-helix	trans	-58.3	-33.3	175.3	-26.4	34.5	0	0	0	114	A352 N519 N527 I577	A352-P523 HydrophobicContact CB-CB 4.16Å; A352-P523 HydrophobicContact CB-CG 4.06Å; N519-P523 WeakPolarHBondContact O-CD 3.29Å; P523-N527 WeakPolarHBondContact O-CB 3.46Å; P523-N527 PolarHBondContact O-N 3.41Å; P523-I577 HydrophobicContact CB-CG2 4.39Å
524	L	87.5	Confident	89.4	Confident	46 Å²	46	22.2 Å²	22.2	24%	0.241	12%	0.121	C	C	.	.	H	α-helix	trans	-66.8	-45.5	177.7	-177.2	63.8	0	0	0	111.3	V237 I512 I521 A522 N527 F528	V237-L524 HydrophobicContact CG1-CD2 4.26Å; I512-L524 HydrophobicContact CD1-CD2 3.95Å; I521-L524 WeakPolarHBondContact O-CB 3.36Å; I521-L524 PolarHBondContact O-N 2.97Å; I521-L524 VanDerWaalsContact O-N 3.17Å; A522-L524 PolarHBondContact O-N 3.27Å; L524-N527 PolarHBondContact O-N 3.3Å; L524-F528 HydrophobicContact CD1-CD2 4.06Å; L524-F528 HydrophobicContact CD1-CE2 3.47Å; L524-F528 VanDerWaalsContact CD1-CE2 3.47Å; L524-F528 HydrophobicContact CD1-CZ 4.24Å; L524-F528 HydrophobicContact CD2-CE2 4.38Å; L524-F528 HydrophobicContact CG-CD2 4.04Å; L524-F528 HydrophobicContact CG-CE2 3.74Å; L524-F528 VanDerWaalsContact O-CD2 3.23Å; L524-F528 WeakPolarHBondContact O-CD2 3.27Å; L524-F528 PolarHBondContact O-N 2.78Å; L524-F528 VanDerWaalsContact O-N 3.13Å
525	I	90.9	Very high	89.5	Confident	1 Å²	1	21.4 Å²	21.4	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-62.7	-47.1	176.7	-71.9	173.7	0	0	0	110.8	V237 V241 P356 I521 A522 N527 F528 F529	V237-I525 HydrophobicContact CB-CG1 3.99Å; V237-I525 HydrophobicContact CG1-CD1 3.93Å; V237-I525 HydrophobicContact CG1-CG1 3.3Å; V241-I525 HydrophobicContact CB-CD1 3.62Å; V241-I525 HydrophobicContact CG1-CD1 4.44Å; V241-I525 HydrophobicContact CG2-CD1 3.2Å; P356-I525 HydrophobicContact CB-CG2 4.17Å; P356-I525 HydrophobicContact CG-CB 4.42Å; P356-I525 HydrophobicContact CG-CG2 4.03Å; I521-I525 HydrophobicContact CG2-CD1 4.12Å; I521-I525 HydrophobicContact CG2-CG1 4.48Å; I521-I525 PolarHBondContact O-N 3.07Å; A522-I525 PolarHBondContact O-N 3.24Å; I525-N527 VanDerWaalsContact C-N 3.26Å; I525-N527 PolarHBondContact O-N 3.08Å; I525-F528 PolarHBondContact O-N 2.97Å; I525-F529 HydrophobicContact CG2-CD2 3.48Å; I525-F529 VanDerWaalsContact CG2-CD2 3.48Å; I525-F529 HydrophobicContact CG2-CE2 3.67Å; I525-F529 PolarHBondContact O-N 2.89Å
526	S	92.2	Very high	89.6	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-57.2	-43.5	179.4	-64.6	0	0	0	0	111.2	A352 P356 A522 M530	A352-S526 PolarHBondContact O-OG 2.88Å; P356-S526 VanDerWaalsContact CD-OG 3.3Å; P356-S526 WeakPolarHBondContact CD-OG 3.3Å; A522-S526 PolarHBondContact O-N 2.95Å; A522-S526 PolarHBondContact O-OG 3.5Å; A522-S526 VanDerWaalsContact O-OG 3.11Å; S526-M530 VanDerWaalsContact O-CB 3.26Å; S526-M530 WeakPolarHBondContact O-CB 3.14Å; S526-M530 WeakPolarHBondContact O-CG 2.93Å; S526-M530 PolarHBondContact O-N 2.88Å
527	N	91.9	Very high	90.3	Very high	4 Å²	4	18.3 Å²	18.3	2%	0.021	10%	0.095	C	C	.	.	H	α-helix	trans	-62.3	-47.4	176.3	-169	52.3	0	0	0	112.6	P523 L524 I525 A531 M574 N581 T585	P523-N527 WeakPolarHBondContact O-CB 3.46Å; P523-N527 PolarHBondContact O-N 3.41Å; L524-N527 PolarHBondContact O-N 3.3Å; I525-N527 VanDerWaalsContact C-N 3.26Å; I525-N527 PolarHBondContact O-N 3.08Å; N527-A531 VanDerWaalsContact O-CB 3.27Å; N527-A531 WeakPolarHBondContact O-CB 3.2Å; N527-A531 PolarHBondContact O-N 3.01Å; N527-M574 WeakPolarHBondContact OD1-CE 3.36Å; N527-N581 PolarHBondContact ND2-O 3.46Å; N527-N581 VanDerWaalsContact ND2-O 3.1Å; N527-T585 WeakPolarHBondContact ND2-CG2 3.2Å; N527-T585 PolarHBondContact ND2-OG1 3.23Å
528	F	91.8	Very high	90.7	Very high	39 Å²	39	21 Å²	21	17%	0.171	10%	0.102	C	C	.	.	H	α-helix	trans	-66	-40.9	179.2	-76.7	-59.8	0	0	0	113.4	V233 A234 L524 I525 A531 S532 T585	V233-F528 HydrophobicContact CG1-CD2 4.46Å; V233-F528 HydrophobicContact CG1-CE1 4.27Å; V233-F528 HydrophobicContact CG1-CE2 4.19Å; V233-F528 HydrophobicContact CG1-CZ 4.11Å; A234-F528 HydrophobicContact CB-CB 3.96Å; L524-F528 HydrophobicContact CD1-CD2 4.06Å; L524-F528 HydrophobicContact CD1-CE2 3.47Å; L524-F528 VanDerWaalsContact CD1-CE2 3.47Å; L524-F528 HydrophobicContact CD1-CZ 4.24Å; L524-F528 HydrophobicContact CD2-CE2 4.38Å; L524-F528 HydrophobicContact CG-CD2 4.04Å; L524-F528 HydrophobicContact CG-CE2 3.74Å; L524-F528 VanDerWaalsContact O-CD2 3.23Å; L524-F528 WeakPolarHBondContact O-CD2 3.27Å; L524-F528 PolarHBondContact O-N 2.78Å; L524-F528 VanDerWaalsContact O-N 3.13Å; I525-F528 PolarHBondContact O-N 2.97Å; F528-A531 PolarHBondContact O-N 3.21Å; F528-S532 PolarHBondContact O-N 3.2Å; F528-T585 HydrophobicContact CD1-CG2 4.22Å; F528-T585 HydrophobicContact CE1-CG2 3.97Å
529	F	92.6	Very high	90.9	Very high	4 Å²	4	20.6 Å²	20.6	2%	0.018	10%	0.1	C	C	.	.	H	α-helix	trans	-69.6	-44.6	176.9	-83.9	-64.5	0	0	0	111.9	F231 A234 F355 T359 I525 A531 S532 Y533	F231-F529 HydrophobicContact CD2-CE1 4.28Å; F231-F529 HydrophobicContact CE2-CE1 4.01Å; A234-F529 HydrophobicContact CB-CD1 3.95Å; A234-F529 HydrophobicContact CB-CD2 4.23Å; A234-F529 HydrophobicContact CB-CE1 3.79Å; A234-F529 HydrophobicContact CB-CE2 4.11Å; A234-F529 HydrophobicContact CB-CG 4.16Å; A234-F529 HydrophobicContact CB-CZ 3.88Å; F355-F529 HydrophobicContact CE1-CB 4.02Å; T359-F529 HydrophobicContact CG2-CB 4.05Å; T359-F529 HydrophobicContact CG2-CD1 4.49Å; T359-F529 HydrophobicContact CG2-CD2 3.78Å; T359-F529 HydrophobicContact CG2-CE2 4.33Å; T359-F529 HydrophobicContact CG2-CG 3.87Å; I525-F529 HydrophobicContact CG2-CD2 3.48Å; I525-F529 VanDerWaalsContact CG2-CD2 3.48Å; I525-F529 HydrophobicContact CG2-CE2 3.67Å; I525-F529 PolarHBondContact O-N 2.89Å; F529-A531 VanDerWaalsContact C-N 3.26Å; F529-A531 PolarHBondContact O-N 2.8Å; F529-S532 PolarHBondContact O-N 2.99Å; F529-S532 VanDerWaalsContact O-N 3.12Å; F529-S532 PolarHBondContact O-OG 3.5Å; F529-Y533 HydrophobicContact CB-CE2 4.08Å; F529-Y533 HydrophobicContact CD1-CE1 4.15Å; F529-Y533 AromaticContact CD1-CZ 3.91Å; F529-Y533 WeakPolarHBondContact O-CD1 3.35Å; F529-Y533 WeakPolarHBondContact O-CD2 3.35Å; F529-Y533 PolarHBondContact O-N 3.4Å
530	M	93.7	Very high	91.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-59.1	-39.1	174.6	-73.2	-174.9	-176.6	0	0	111.6	F355 S526 Y533 A534 M573 M574 I577	F355-M530 HydrophobicContact CB-CE 4.25Å; F355-M530 HydrophobicContact CD1-CE 3.93Å; F355-M530 HydrophobicContact CD1-CG 4.23Å; F355-M530 HydrophobicContact CD2-CE 3.42Å; F355-M530 VanDerWaalsContact CD2-CE 3.42Å; F355-M530 HydrophobicContact CE1-CE 4.07Å; F355-M530 HydrophobicContact CE1-CG 3.56Å; F355-M530 HydrophobicContact CE2-CE 3.58Å; F355-M530 HydrophobicContact CE2-CG 4.11Å; F355-M530 HydrophobicContact CG-CE 3.59Å; F355-M530 HydrophobicContact CZ-CE 3.89Å; F355-M530 HydrophobicContact CZ-CG 3.48Å; F355-M530 VanDerWaalsContact CZ-CG 3.48Å; S526-M530 VanDerWaalsContact O-CB 3.26Å; S526-M530 WeakPolarHBondContact O-CB 3.14Å; S526-M530 WeakPolarHBondContact O-CG 2.93Å; S526-M530 PolarHBondContact O-N 2.88Å; M530-Y533 PolarHBondContact O-N 3.28Å; M530-A534 WeakPolarHBondContact O-CB 3.4Å; M530-A534 PolarHBondContact O-N 3.45Å; M530-M573 HydrophobicContact CE-CB 4.11Å; M530-M573 HydrophobicContact SD-CB 3.81Å; M530-M574 HydrophobicContact CB-CG 3.41Å; M530-M574 VanDerWaalsContact CB-CG 3.41Å; M530-M574 HydrophobicContact CB-SD 3.9Å; M530-M574 HydrophobicContact CG-CG 4.32Å; M530-M574 HydrophobicContact SD-CG 4.01Å; M530-I577 HydrophobicContact CE-CD1 3.48Å; M530-I577 VanDerWaalsContact CE-CD1 3.48Å; M530-I577 HydrophobicContact SD-CD1 3.82Å
531	A	93.2	Very high	91.7	Very high	2 Å²	2	14.2 Å²	14.2	2%	0.017	7%	0.069	C	C	.	.	H	α-helix	trans	-62.2	-44.3	174.7	0	0	0	0	0	112.1	N527 F528 F529 Y533 A534 L535 M574 I589	N527-A531 VanDerWaalsContact O-CB 3.27Å; N527-A531 WeakPolarHBondContact O-CB 3.2Å; N527-A531 PolarHBondContact O-N 3.01Å; F528-A531 PolarHBondContact O-N 3.21Å; F529-A531 VanDerWaalsContact C-N 3.26Å; F529-A531 PolarHBondContact O-N 2.8Å; A531-Y533 VanDerWaalsContact C-N 3.34Å; A531-Y533 PolarHBondContact O-N 3.14Å; A531-A534 PolarHBondContact O-N 3.27Å; A531-L535 WeakPolarHBondContact O-CG 3.44Å; A531-L535 PolarHBondContact O-N 3.1Å; A531-L535 VanDerWaalsContact O-N 3.09Å; A531-M574 VanDerWaalsContact CA-SD 3.58Å; A531-M574 HydrophobicContact CB-CE 3.59Å; A531-M574 HydrophobicContact CB-SD 3.96Å; A531-M574 PolarHBondContact N-SD 3.33Å; A531-M574 VanDerWaalsContact N-SD 3.42Å; A531-I589 HydrophobicContact CB-CD1 4Å
532	S	92.6	Very high	91.9	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-63.3	-39.9	176.5	77.1	0	0	0	0	112.1	F528 F529 L535 I536	F528-S532 PolarHBondContact O-N 3.2Å; F529-S532 PolarHBondContact O-N 2.99Å; F529-S532 VanDerWaalsContact O-N 3.12Å; F529-S532 PolarHBondContact O-OG 3.5Å; S532-L535 PolarHBondContact O-N 3.21Å; S532-I536 VanDerWaalsContact O-CG1 3.29Å; S532-I536 WeakPolarHBondContact O-CG1 3.18Å; S532-I536 PolarHBondContact O-N 3.44Å
533	Y	94.5	Very high	91.9	Very high	1 Å²	1	15.9 Å²	15.9	0%	0.004	8%	0.078	C	C	.	.	H	α-helix	trans	-71.1	-39.9	178.8	-60.4	-17.3	0	0	0	111.8	I189 V190 T193 F355 T359 F361 L362 F529 M530 A531 L535 I536 N537	I189-Y533 HydrophobicContact CG2-CD2 4.45Å; V190-Y533 HydrophobicContact CG2-CE2 4.36Å; T193-Y533 HydrophobicContact CG2-CD1 3.87Å; T193-Y533 HydrophobicContact CG2-CG 3.9Å; F355-Y533 HydrophobicContact CE1-CE2 4.17Å; F355-Y533 AromaticContact CZ-CD2 3.96Å; F355-Y533 HydrophobicContact CZ-CD2 3.96Å; F355-Y533 AromaticContact CZ-CE2 3.82Å; F355-Y533 HydrophobicContact CZ-CE2 3.82Å; T359-Y533 HydrophobicContact CG2-CE2 4.49Å; F361-Y533 HydrophobicContact CE1-CD1 4.4Å; F361-Y533 AromaticContact CE1-CE1 3.69Å; F361-Y533 HydrophobicContact CE1-CE1 3.69Å; F361-Y533 HydrophobicContact CE1-CE2 4.14Å; F361-Y533 AromaticContact CE1-CZ 3.54Å; F361-Y533 HydrophobicContact CZ-CD1 4.5Å; F361-Y533 HydrophobicContact CZ-CE1 4.08Å; L362-Y533 HydrophobicContact CD1-CE1 4.05Å; F529-Y533 HydrophobicContact CB-CE2 4.08Å; F529-Y533 HydrophobicContact CD1-CE1 4.15Å; F529-Y533 AromaticContact CD1-CZ 3.91Å; F529-Y533 WeakPolarHBondContact O-CD1 3.35Å; F529-Y533 WeakPolarHBondContact O-CD2 3.35Å; F529-Y533 PolarHBondContact O-N 3.4Å; M530-Y533 PolarHBondContact O-N 3.28Å; A531-Y533 VanDerWaalsContact C-N 3.34Å; A531-Y533 PolarHBondContact O-N 3.14Å; Y533-L535 VanDerWaalsContact C-N 3.31Å; Y533-L535 PolarHBondContact O-N 2.84Å; Y533-I536 PolarHBondContact O-N 3.19Å; Y533-N537 VanDerWaalsContact O-CB 3.28Å; Y533-N537 WeakPolarHBondContact O-CB 3.38Å; Y533-N537 VanDerWaalsContact O-CG 3.27Å; Y533-N537 PolarHBondContact O-N 3.29Å; Y533-N537 PolarHBondContact O-ND2 3.31Å
534	A	94.6	Very high	92.2	Very high	11 Å²	11	15.2 Å²	15.2	9%	0.091	7%	0.074	C	C	.	.	H	α-helix	trans	-57.3	-45.5	173	0	0	0	0	0	111.3	M530 A531 N537 Y538 C570	M530-A534 WeakPolarHBondContact O-CB 3.4Å; M530-A534 PolarHBondContact O-N 3.45Å; A531-A534 PolarHBondContact O-N 3.27Å; A534-N537 PolarHBondContact O-N 3.23Å; A534-Y538 VanDerWaalsContact O-CB 3.3Å; A534-Y538 WeakPolarHBondContact O-CB 3.22Å; A534-Y538 PolarHBondContact O-N 2.99Å; A534-C570 HydrophobicContact CB-CB 3.73Å
535	L	93.4	Very high	92.2	Very high	23 Å²	23	18.6 Å²	18.6	12%	0.12	9%	0.088	C	C	.	.	H	α-helix	trans	-67	-42.4	177.6	-75.5	174.8	0	0	0	113.3	I227 I230 A531 S532 Y533 N537 Y538 A539 I589	I227-L535 HydrophobicContact CD1-CB 4.12Å; I227-L535 HydrophobicContact CG1-CB 3.67Å; I227-L535 HydrophobicContact CG1-CD1 4.18Å; I230-L535 HydrophobicContact CD1-CD1 3.52Å; A531-L535 WeakPolarHBondContact O-CG 3.44Å; A531-L535 PolarHBondContact O-N 3.1Å; A531-L535 VanDerWaalsContact O-N 3.09Å; S532-L535 PolarHBondContact O-N 3.21Å; Y533-L535 VanDerWaalsContact C-N 3.31Å; Y533-L535 PolarHBondContact O-N 2.84Å; L535-N537 VanDerWaalsContact C-N 3.32Å; L535-N537 PolarHBondContact O-N 3.38Å; L535-Y538 PolarHBondContact O-N 3.22Å; L535-A539 WeakPolarHBondContact O-CB 3.27Å; L535-A539 PolarHBondContact O-N 3.27Å; L535-I589 HydrophobicContact CD1-CD1 4.04Å; L535-I589 HydrophobicContact CD1-CG1 4.14Å; L535-I589 HydrophobicContact CD1-CG2 3.98Å; L535-I589 HydrophobicContact CD2-CG2 3.88Å; L535-I589 HydrophobicContact CG-CG2 4.39Å
536	I	93.6	Very high	91.8	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-59.1	-47.1	175.8	-72.3	166.7	0	0	0	110.2	T193 I200 I215 I227 L362 S532 Y533 C540	T193-I536 HydrophobicContact CG2-CG2 4.24Å; I200-I536 HydrophobicContact CD1-CG2 3.93Å; I215-I536 HydrophobicContact CD1-CD1 4.21Å; I215-I536 HydrophobicContact CD1-CG1 4.3Å; I227-I536 HydrophobicContact CD1-CG1 4.13Å; I227-I536 HydrophobicContact CG2-CD1 4.37Å; I227-I536 HydrophobicContact CG2-CG1 4.02Å; L362-I536 HydrophobicContact CD1-CD1 4.47Å; S532-I536 VanDerWaalsContact O-CG1 3.29Å; S532-I536 WeakPolarHBondContact O-CG1 3.18Å; S532-I536 PolarHBondContact O-N 3.44Å; Y533-I536 PolarHBondContact O-N 3.19Å; I536-C540 WeakPolarHBondContact O-CB 3.43Å; I536-C540 PolarHBondContact O-N 3.44Å; I536-C540 VanDerWaalsContact O-N 3.11Å
537	N	95.7	Very high	91.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65.3	-46.3	-179.9	-76.3	-33.6	0	0	0	112	T193 S196 Y533 A534 L535 C540 F541 S563 A567	T193-N537 WeakPolarHBondContact CA-OD1 3.19Å; T193-N537 PolarHBondContact OG1-ND2 3.46Å; S196-N537 WeakPolarHBondContact CB-OD1 3.46Å; S196-N537 PolarHBondContact OG-OD1 3.37Å; Y533-N537 VanDerWaalsContact O-CB 3.28Å; Y533-N537 WeakPolarHBondContact O-CB 3.38Å; Y533-N537 VanDerWaalsContact O-CG 3.27Å; Y533-N537 PolarHBondContact O-N 3.29Å; Y533-N537 PolarHBondContact O-ND2 3.31Å; A534-N537 PolarHBondContact O-N 3.23Å; L535-N537 VanDerWaalsContact C-N 3.32Å; L535-N537 PolarHBondContact O-N 3.38Å; N537-C540 PolarHBondContact O-N 2.86Å; N537-F541 PolarHBondContact O-N 3.48Å; N537-F541 VanDerWaalsContact O-N 3.1Å; N537-S563 WeakPolarHBondContact CB-O 3.39Å; N537-S563 WeakPolarHBondContact O-CB 3.42Å; N537-A567 HydrophobicContact CB-CB 3.78Å
538	Y	93.8	Very high	90.3	Very high	108 Å²	108	27.4 Å²	27.4	42%	0.424	13%	0.128	S	C	.	.	H	α-helix	trans	-66.3	-42.9	179.2	179.4	-105.3	0	0	0	112.5	F223 A534 L535 C540 F541 D542	F223-Y538 AromaticContact CE1-CD1 3.89Å; F223-Y538 HydrophobicContact CE1-CD1 3.89Å; F223-Y538 HydrophobicContact CE1-CE1 4.1Å; F223-Y538 HydrophobicContact CZ-CD1 4.17Å; F223-Y538 HydrophobicContact CZ-CE1 4.03Å; A534-Y538 VanDerWaalsContact O-CB 3.3Å; A534-Y538 WeakPolarHBondContact O-CB 3.22Å; A534-Y538 PolarHBondContact O-N 2.99Å; L535-Y538 PolarHBondContact O-N 3.22Å; Y538-C540 VanDerWaalsContact C-N 3.3Å; Y538-C540 PolarHBondContact O-N 3.41Å; Y538-F541 HydrophobicContact CD2-CD1 4.43Å; Y538-F541 HydrophobicContact CE2-CD1 4.39Å; Y538-F541 WeakPolarHBondContact O-CB 3.49Å; Y538-F541 PolarHBondContact O-N 2.99Å; Y538-F541 VanDerWaalsContact O-N 3.13Å; Y538-D542 PolarHBondContact O-N 3.25Å
539	A	91.3	Very high	89.3	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.4	-38.4	178.1	0	0	0	0	0	111.7	L219 F223 L535 F541 D542 A543	L219-A539 HydrophobicContact CB-CB 4.44Å; L219-A539 HydrophobicContact CD1-CB 3.56Å; L219-A539 HydrophobicContact CD2-CB 3.97Å; L219-A539 WeakPolarHBondContact CD2-O 3.38Å; L219-A539 HydrophobicContact CG-CB 4.19Å; F223-A539 HydrophobicContact CB-CB 4.05Å; F223-A539 HydrophobicContact CD1-CB 3.62Å; F223-A539 HydrophobicContact CD2-CB 4.05Å; F223-A539 HydrophobicContact CE1-CB 4.02Å; F223-A539 HydrophobicContact CE2-CB 4.41Å; F223-A539 HydrophobicContact CG-CB 3.64Å; F223-A539 HydrophobicContact CZ-CB 4.4Å; L535-A539 WeakPolarHBondContact O-CB 3.27Å; L535-A539 PolarHBondContact O-N 3.27Å; A539-F541 VanDerWaalsContact C-N 3.32Å; A539-F541 PolarHBondContact O-N 3Å; A539-D542 PolarHBondContact O-N 3.02Å; A539-A543 WeakPolarHBondContact O-CB 3.33Å; A539-A543 PolarHBondContact O-N 3.48Å
540	C	91.8	Very high	88.5	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.4	-37.8	174.3	-162.6	0	0	0	0	112	I536 N537 Y538 S544 F551 Y558	I536-C540 WeakPolarHBondContact O-CB 3.43Å; I536-C540 PolarHBondContact O-N 3.44Å; I536-C540 VanDerWaalsContact O-N 3.11Å; N537-C540 PolarHBondContact O-N 2.86Å; Y538-C540 VanDerWaalsContact C-N 3.3Å; Y538-C540 PolarHBondContact O-N 3.41Å; C540-S544 PolarHBondContact O-N 3.31Å; C540-S544 PolarHBondContact O-OG 3.44Å; C540-F551 VanDerWaalsContact SG-CZ 3.53Å; C540-Y558 PolarHBondContact O-OH 2.81Å; C540-Y558 WeakPolarHBondContact SG-CE2 3.47Å; C540-Y558 VanDerWaalsContact SG-CZ 3.5Å; C540-Y558 PolarHBondContact SG-OH 3.38Å
541	F	93.6	Very high	88	Confident	26 Å²	26	33 Å²	33	11%	0.114	18%	0.177	C	C	.	.	H	α-helix	trans	-66.6	-49	173.1	167.7	-99.2	0	0	0	112	N537 Y538 A539 A543 S544 F545 M560 W561 L564	N537-F541 PolarHBondContact O-N 3.48Å; N537-F541 VanDerWaalsContact O-N 3.1Å; Y538-F541 HydrophobicContact CD2-CD1 4.43Å; Y538-F541 HydrophobicContact CE2-CD1 4.39Å; Y538-F541 WeakPolarHBondContact O-CB 3.49Å; Y538-F541 PolarHBondContact O-N 2.99Å; Y538-F541 VanDerWaalsContact O-N 3.13Å; A539-F541 VanDerWaalsContact C-N 3.32Å; A539-F541 PolarHBondContact O-N 3Å; F541-A543 PolarHBondContact O-N 3.34Å; F541-S544 PolarHBondContact O-N 3.48Å; F541-F545 HydrophobicContact CZ-CB 4.44Å; F541-F545 HydrophobicContact CZ-CD2 4.29Å; F541-F545 HydrophobicContact CZ-CG 4.44Å; F541-F545 WeakPolarHBondContact O-CB 3.43Å; F541-F545 PolarHBondContact O-N 3.46Å; F541-M560 HydrophobicContact CD2-CB 4.15Å; F541-M560 HydrophobicContact CD2-CG 4.34Å; F541-M560 WeakPolarHBondContact CD2-O 3.45Å; F541-M560 HydrophobicContact CE2-CG 4.49Å; F541-M560 HydrophobicContact CE2-SD 4.45Å; F541-W561 HydrophobicContact CE2-CE3 4.21Å; F541-W561 HydrophobicContact CE2-CZ3 4.09Å; F541-W561 HydrophobicContact CZ-CZ3 4.47Å; F541-L564 HydrophobicContact CD1-CD1 3.96Å; F541-L564 HydrophobicContact CD2-CB 3.83Å; F541-L564 HydrophobicContact CD2-CD1 4.48Å; F541-L564 HydrophobicContact CD2-CD2 4.44Å; F541-L564 HydrophobicContact CD2-CG 4.48Å; F541-L564 HydrophobicContact CE1-CD1 4.07Å; F541-L564 HydrophobicContact CE2-CB 4.19Å; F541-L564 HydrophobicContact CE2-CD2 3.97Å; F541-L564 HydrophobicContact CE2-CG 4.48Å; F541-L564 HydrophobicContact CG-CB 4.11Å; F541-L564 HydrophobicContact CG-CD1 4.18Å; F541-L564 HydrophobicContact CZ-CD1 4.37Å; F541-L564 HydrophobicContact CZ-CD2 4.01Å
542	D	89.2	Confident	87.7	Confident	28 Å²	28	41.3 Å²	41.3	15%	0.15	21%	0.209	C	C	.	.	H	α-helix	trans	-59.9	-44.8	-179.9	-178.2	64.1	0	0	0	111.9	F223 Y538 A539 S544 F545 A546 S608	F223-D542 HydrophobicContact CZ-CB 4.43Å; Y538-D542 PolarHBondContact O-N 3.25Å; A539-D542 PolarHBondContact O-N 3.02Å; D542-S544 VanDerWaalsContact C-N 3.34Å; D542-S544 PolarHBondContact O-N 3.41Å; D542-F545 PolarHBondContact O-N 3.5Å; D542-A546 VanDerWaalsContact O-CB 3.27Å; D542-A546 WeakPolarHBondContact O-CB 3.35Å; D542-A546 PolarHBondContact O-N 3.49Å; D542-S608 PolarHBondContact OD2-OG 3.25Å
543	A	87.1	Confident	87.5	Confident	6 Å²	6	43 Å²	43	5%	0.05	22%	0.219	C	C	.	.	H	α-helix	trans	-61.2	-41.6	178.5	0	0	0	0	0	112.4	L219 A539 F541 S548 F551	L219-A543 HydrophobicContact CD2-CB 3.97Å; A539-A543 WeakPolarHBondContact O-CB 3.33Å; A539-A543 PolarHBondContact O-N 3.48Å; F541-A543 PolarHBondContact O-N 3.34Å; A543-S548 PolarHBondContact O-N 3.42Å; A543-F551 HydrophobicContact CB-CB 4.02Å; A543-F551 HydrophobicContact CB-CD1 3.78Å; A543-F551 HydrophobicContact CB-CD2 3.86Å; A543-F551 HydrophobicContact CB-CE1 4.24Å; A543-F551 HydrophobicContact CB-CE2 4.31Å; A543-F551 HydrophobicContact CB-CG 3.59Å
544	S	90.3	Very high	87.2	Confident	19 Å²	19	46.9 Å²	46.9	13%	0.133	25%	0.252	C	S	.	.	H	α-helix	trans	-68.5	-42.7	174.7	-72	0	0	0	0	112.5	C540 F541 D542 K547 F551 Y558	C540-S544 PolarHBondContact O-N 3.31Å; C540-S544 PolarHBondContact O-OG 3.44Å; F541-S544 PolarHBondContact O-N 3.48Å; D542-S544 VanDerWaalsContact C-N 3.34Å; D542-S544 PolarHBondContact O-N 3.41Å; S544-K547 PolarHBondContact O-N 3.31Å; S544-K547 VanDerWaalsContact O-N 3.1Å; S544-F551 VanDerWaalsContact OG-CE1 3.27Å; S544-F551 WeakPolarHBondContact OG-CE1 3.47Å; S544-Y558 PolarHBondContact OG-OH 3.03Å
545	F	88.4	Confident	86.9	Confident	118 Å²	118	48 Å²	48	52%	0.518	25%	0.254	S	S	.	.	H	α-helix	trans	-66.1	-38.5	179.8	-174.1	-100.5	0	0	0	111.9	F541 D542 K547	F541-F545 HydrophobicContact CZ-CB 4.44Å; F541-F545 HydrophobicContact CZ-CD2 4.29Å; F541-F545 HydrophobicContact CZ-CG 4.44Å; F541-F545 WeakPolarHBondContact O-CB 3.43Å; F541-F545 PolarHBondContact O-N 3.46Å; D542-F545 PolarHBondContact O-N 3.5Å; F545-K547 PolarHBondContact O-N 3.48Å
546	A	82.4	Confident	86.7	Confident	2 Å²	2	55.8 Å²	55.8	2%	0.017	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-11.6	174.1	0	0	0	0	0	113.5	D542 S548 N612	D542-A546 VanDerWaalsContact O-CB 3.27Å; D542-A546 WeakPolarHBondContact O-CB 3.35Å; D542-A546 PolarHBondContact O-N 3.49Å; A546-S548 PolarHBondContact O-N 2.88Å; A546-N612 WeakPolarHBondContact CB-OD1 3.37Å
547	K	80	Confident	86.5	Confident	171 Å²	171	62.9 Å²	62.9	74%	0.743	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	41.5	-171.2	-60.7	-176.5	179	-177	0	111.4	S544 F545	S544-K547 PolarHBondContact O-N 3.31Å; S544-K547 VanDerWaalsContact O-N 3.1Å; F545-K547 PolarHBondContact O-N 3.48Å
548	S	73	Confident	86.3	Confident	16 Å²	16	64.6 Å²	64.6	11%	0.112	33%	0.325	C	S	.	.			trans	-60.8	124.7	-176.4	-67.8	0	0	0	0	109.5	A543 A546 G550 F551	A543-S548 PolarHBondContact O-N 3.42Å; A546-S548 PolarHBondContact O-N 2.88Å; S548-G550 PolarHBondContact O-N 2.92Å; S548-F551 PolarHBondContact O-N 2.8Å
549	P	71	Confident	86.3	Confident	87 Å²	87	63.4 Å²	63.4	57%	0.565	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-20.5	-174.3	23.7	-33.7	0	0	0	113.2	R552	P549-R552 PolarHBondContact O-NE 3.18Å; P549-R552 PolarHBondContact O-NH2 2.98Å
550	G	75.6	Confident	86.4	Confident	58 Å²	58	66.1 Å²	66.1	60%	0.598	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-4.9	173.8	0	0	0	0	0	115	N203 S548	N203-G550 PolarHBondContact ND2-O 3.25Å; N203-G550 PolarHBondContact OD1-O 2.92Å; S548-G550 PolarHBondContact O-N 2.92Å
551	F	83.1	Confident	86.6	Confident	15 Å²	15	73.4 Å²	73.4	7%	0.066	37%	0.367	C	S	.	.			trans	-114.1	95.2	177.4	-164.8	-98.2	0	0	0	110.1	I200 N203 L219 C540 A543 S544 S548 P553	I200-F551 HydrophobicContact CG1-CE2 4.43Å; N203-F551 WeakPolarHBondContact OD1-CA 3.44Å; L219-F551 HydrophobicContact CD2-CD2 4.43Å; L219-F551 HydrophobicContact CD2-CE2 4.09Å; C540-F551 VanDerWaalsContact SG-CZ 3.53Å; A543-F551 HydrophobicContact CB-CB 4.02Å; A543-F551 HydrophobicContact CB-CD1 3.78Å; A543-F551 HydrophobicContact CB-CD2 3.86Å; A543-F551 HydrophobicContact CB-CE1 4.24Å; A543-F551 HydrophobicContact CB-CE2 4.31Å; A543-F551 HydrophobicContact CB-CG 3.59Å; S544-F551 VanDerWaalsContact OG-CE1 3.27Å; S544-F551 WeakPolarHBondContact OG-CE1 3.47Å; S548-F551 PolarHBondContact O-N 2.8Å; F551-P553 HydrophobicContact CD1-CG 4.35Å; F551-P553 HydrophobicContact CE1-CB 4.5Å; F551-P553 HydrophobicContact CE1-CG 3.83Å; F551-P553 HydrophobicContact CZ-CG 4.39Å
552	R	87.3	Confident	86.6	Confident	178 Å²	178	74.9 Å²	74.9	67%	0.672	38%	0.376	S	S	*	.			trans	-131.5	73	-178.3	-59	-178.1	-162	-171.5	-0.1	109.6	N203 P549 A554	N203-R552 PolarHBondContact OD1-N 3.07Å; P549-R552 PolarHBondContact O-NE 3.18Å; P549-R552 PolarHBondContact O-NH2 2.98Å; R552-A554 PolarHBondContact O-N 2.85Å
553	P	87	Confident	86.9	Confident	34 Å²	34	73.7 Å²	73.7	22%	0.221	37%	0.37	C	S	.	.			trans	-61.6	123.7	-178	26.2	-33.9	0	0	0	110.1	A199 F551 F555 Y558	A199-P553 HydrophobicContact CB-CB 3.7Å; F551-P553 HydrophobicContact CD1-CG 4.35Å; F551-P553 HydrophobicContact CE1-CB 4.5Å; F551-P553 HydrophobicContact CE1-CG 3.83Å; F551-P553 HydrophobicContact CZ-CG 4.39Å; P553-F555 VanDerWaalsContact C-N 3.3Å; P553-Y558 HydrophobicContact CB-CD1 4.07Å; P553-Y558 HydrophobicContact CB-CE1 4.46Å; P553-Y558 HydrophobicContact CG-CD1 3.56Å; P553-Y558 HydrophobicContact CG-CE1 3.64Å; P553-Y558 HydrophobicContact CG-CG 4.47Å
554	A	88.3	Confident	87.3	Confident	83 Å²	83	76 Å²	76	69%	0.686	38%	0.381	S	S	*	.			trans	-85.5	-3.5	177.5	0	0	0	0	0	112.9	T202 R552 K556	T202-A554 PolarHBondContact OG1-N 3.29Å; R552-A554 PolarHBondContact O-N 2.85Å; A554-K556 PolarHBondContact O-N 2.84Å
555	F	89	Confident	87.5	Confident	34 Å²	34	79.4 Å²	79.4	15%	0.149	40%	0.397	C	S	.	.			trans	-73	116.5	-177.1	-173.1	-118.5	0	0	0	112.3	L195 T202 P379 I383 P553 F557 Y558	L195-F555 HydrophobicContact CD2-CE1 3.68Å; L195-F555 HydrophobicContact CD2-CZ 4.16Å; T202-F555 HydrophobicContact CG2-CB 4.13Å; T202-F555 WeakPolarHBondContact OG1-CB 3.48Å; T202-F555 PolarHBondContact OG1-N 2.89Å; P379-F555 HydrophobicContact CB-CD2 4.21Å; P379-F555 HydrophobicContact CB-CE2 4Å; I383-F555 HydrophobicContact CD1-CE1 4.26Å; I383-F555 HydrophobicContact CD1-CE2 4.23Å; I383-F555 HydrophobicContact CD1-CZ 3.49Å; I383-F555 VanDerWaalsContact CD1-CZ 3.49Å; P553-F555 VanDerWaalsContact C-N 3.3Å; F555-F557 VanDerWaalsContact C-N 3.34Å; F555-F557 HydrophobicContact CD1-CB 4.4Å; F555-F557 HydrophobicContact CE1-CB 3.69Å; F555-F557 HydrophobicContact CE2-CD2 4.28Å; F555-F557 HydrophobicContact CZ-CB 3.93Å; F555-F557 AromaticContact CZ-CD2 3.91Å; F555-F557 HydrophobicContact CZ-CD2 3.91Å; F555-F557 HydrophobicContact CZ-CG 4.43Å; F555-F557 PolarHBondContact O-N 3.39Å; F555-Y558 WeakPolarHBondContact O-CB 3.47Å; F555-Y558 PolarHBondContact O-N 3.09Å
556	K	89.2	Confident	87.8	Confident	188 Å²	188	73.8 Å²	73.8	82%	0.817	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-34.2	-172.4	-172.4	177.7	179.6	-179.5	0	114.9	A554 Y558	A554-K556 PolarHBondContact O-N 2.84Å; K556-Y558 VanDerWaalsContact C-N 3.31Å
557	F	90.3	Very high	88.5	Confident	150 Å²	150	74 Å²	74	66%	0.658	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	8.4	-177	-60	-74.1	0	0	0	113.5	L195 F555	L195-F557 HydrophobicContact CD2-CB 4.39Å; F555-F557 VanDerWaalsContact C-N 3.34Å; F555-F557 HydrophobicContact CD1-CB 4.4Å; F555-F557 HydrophobicContact CE1-CB 3.69Å; F555-F557 HydrophobicContact CE2-CD2 4.28Å; F555-F557 HydrophobicContact CZ-CB 3.93Å; F555-F557 AromaticContact CZ-CD2 3.91Å; F555-F557 HydrophobicContact CZ-CD2 3.91Å; F555-F557 HydrophobicContact CZ-CG 4.43Å; F555-F557 PolarHBondContact O-N 3.39Å
558	Y	91.8	Very high	89.2	Confident	35 Å²	35	72.3 Å²	72.3	14%	0.137	37%	0.367	C	S	.	.			trans	-80.5	136.6	176.2	174	-107.9	0	0	0	111.7	A199 C540 S544 P553 F555 K556 S563	A199-Y558 HydrophobicContact CB-CD1 4.14Å; A199-Y558 HydrophobicContact CB-CD2 3.29Å; A199-Y558 HydrophobicContact CB-CE2 3.72Å; A199-Y558 HydrophobicContact CB-CG 3.52Å; C540-Y558 PolarHBondContact O-OH 2.81Å; C540-Y558 WeakPolarHBondContact SG-CE2 3.47Å; C540-Y558 VanDerWaalsContact SG-CZ 3.5Å; C540-Y558 PolarHBondContact SG-OH 3.38Å; S544-Y558 PolarHBondContact OG-OH 3.03Å; P553-Y558 HydrophobicContact CB-CD1 4.07Å; P553-Y558 HydrophobicContact CB-CE1 4.46Å; P553-Y558 HydrophobicContact CG-CD1 3.56Å; P553-Y558 HydrophobicContact CG-CE1 3.64Å; P553-Y558 HydrophobicContact CG-CG 4.47Å; F555-Y558 WeakPolarHBondContact O-CB 3.47Å; F555-Y558 PolarHBondContact O-N 3.09Å; K556-Y558 VanDerWaalsContact C-N 3.31Å; Y558-S563 VanDerWaalsContact CE2-OG 3.26Å; Y558-S563 WeakPolarHBondContact CE2-OG 3.27Å
559	N	93.8	Very high	90.2	Very high	84 Å²	84	73 Å²	73	45%	0.449	37%	0.371	S	S	.	.			trans	-140.3	135.5	168.5	-175.9	-20.2	0	0	0	109.3	W561 L562 S563	N559-W561 VanDerWaalsContact C-N 3.27Å; N559-W561 PolarHBondContact O-N 3Å; N559-W561 PolarHBondContact OD1-N 3.43Å; N559-W561 VanDerWaalsContact OD1-N 3.11Å; N559-L562 HydrophobicContact CB-CB 4.16Å; N559-L562 WeakPolarHBondContact O-CB 3.49Å; N559-L562 PolarHBondContact O-N 3.24Å; N559-L562 VanDerWaalsContact O-N 3.16Å; N559-S563 PolarHBondContact O-N 2.89Å
560	M	92.6	Very high	91.3	Very high	57 Å²	57	68.8 Å²	68.8	28%	0.281	34%	0.344	S	S	.	.	H	α-helix	trans	-58.7	-37.4	-179.1	75.6	175.7	73.9	0	0	112.8	F541 L562 S563 L564	F541-M560 HydrophobicContact CD2-CB 4.15Å; F541-M560 HydrophobicContact CD2-CG 4.34Å; F541-M560 WeakPolarHBondContact CD2-O 3.45Å; F541-M560 HydrophobicContact CE2-CG 4.49Å; F541-M560 HydrophobicContact CE2-SD 4.45Å; M560-L562 VanDerWaalsContact C-N 3.31Å; M560-L562 PolarHBondContact O-N 2.91Å; M560-S563 WeakPolarHBondContact O-CB 3.33Å; M560-S563 PolarHBondContact O-N 2.96Å; M560-L564 PolarHBondContact O-N 3.17Å
561	W	95.5	Very high	92.1	Very high	153 Å²	153	68.6 Å²	68.6	58%	0.58	33%	0.331	S	S	*	.	H	α-helix	trans	-71.8	-29.3	-178.4	-62	111.2	0	0	0	112.2	F541 N559 L564 L565	F541-W561 HydrophobicContact CE2-CE3 4.21Å; F541-W561 HydrophobicContact CE2-CZ3 4.09Å; F541-W561 HydrophobicContact CZ-CZ3 4.47Å; N559-W561 VanDerWaalsContact C-N 3.27Å; N559-W561 PolarHBondContact O-N 3Å; N559-W561 PolarHBondContact OD1-N 3.43Å; N559-W561 VanDerWaalsContact OD1-N 3.11Å; W561-L564 HydrophobicContact CE3-CD2 3.81Å; W561-L564 HydrophobicContact CZ3-CD2 3.83Å; W561-L564 PolarHBondContact O-N 3.48Å; W561-L565 WeakPolarHBondContact O-CB 3.4Å; W561-L565 PolarHBondContact O-N 3.36Å
562	L	94	Very high	92.6	Very high	57 Å²	57	70.9 Å²	70.9	30%	0.298	35%	0.346	S	S	.	.	H	α-helix	trans	-69.7	-37.7	175	-167.1	63.4	0	0	0	110.9	L192 L195 N559 M560 L565 G566	L192-L562 HydrophobicContact CD2-CD1 3.26Å; L192-L562 HydrophobicContact CD2-CD2 4.07Å; L192-L562 HydrophobicContact CD2-CG 3.44Å; L192-L562 VanDerWaalsContact CD2-CG 3.44Å; L195-L562 HydrophobicContact CD1-CD2 3.43Å; L195-L562 VanDerWaalsContact CD1-CD2 3.43Å; L195-L562 HydrophobicContact CD1-CG 4.5Å; N559-L562 HydrophobicContact CB-CB 4.16Å; N559-L562 WeakPolarHBondContact O-CB 3.49Å; N559-L562 PolarHBondContact O-N 3.24Å; N559-L562 VanDerWaalsContact O-N 3.16Å; M560-L562 VanDerWaalsContact C-N 3.31Å; M560-L562 PolarHBondContact O-N 2.91Å; L562-L565 HydrophobicContact CD1-CD2 4.31Å; L562-L565 PolarHBondContact O-N 3.43Å; L562-G566 PolarHBondContact O-N 3.5Å
563	S	94.6	Very high	92.8	Very high	2 Å²	2	64 Å²	64	1%	0.014	32%	0.322	C	S	.	.	H	α-helix	trans	-65	-41.7	169.3	-61.4	0	0	0	0	111.9	S196 N537 Y558 N559 M560 L565 G566 A567	S196-S563 WeakPolarHBondContact OG-CB 3.18Å; S196-S563 PolarHBondContact OG-OG 3.16Å; N537-S563 WeakPolarHBondContact CB-O 3.39Å; N537-S563 WeakPolarHBondContact O-CB 3.42Å; Y558-S563 VanDerWaalsContact CE2-OG 3.26Å; Y558-S563 WeakPolarHBondContact CE2-OG 3.27Å; N559-S563 PolarHBondContact O-N 2.89Å; M560-S563 WeakPolarHBondContact O-CB 3.33Å; M560-S563 PolarHBondContact O-N 2.96Å; S563-L565 VanDerWaalsContact C-N 3.33Å; S563-L565 PolarHBondContact O-N 3.14Å; S563-G566 PolarHBondContact O-N 3.4Å; S563-A567 PolarHBondContact O-N 2.86Å
564	L	95.8	Very high	93	Very high	56 Å²	56	62.6 Å²	62.6	29%	0.293	31%	0.312	S	S	.	.	H	α-helix	trans	-61.1	-42.9	175.2	-175.1	64.3	0	0	0	111.7	F541 M560 W561 G566 A567 F568	F541-L564 HydrophobicContact CD1-CD1 3.96Å; F541-L564 HydrophobicContact CD2-CB 3.83Å; F541-L564 HydrophobicContact CD2-CD1 4.48Å; F541-L564 HydrophobicContact CD2-CD2 4.44Å; F541-L564 HydrophobicContact CD2-CG 4.48Å; F541-L564 HydrophobicContact CE1-CD1 4.07Å; F541-L564 HydrophobicContact CE2-CB 4.19Å; F541-L564 HydrophobicContact CE2-CD2 3.97Å; F541-L564 HydrophobicContact CE2-CG 4.48Å; F541-L564 HydrophobicContact CG-CB 4.11Å; F541-L564 HydrophobicContact CG-CD1 4.18Å; F541-L564 HydrophobicContact CZ-CD1 4.37Å; F541-L564 HydrophobicContact CZ-CD2 4.01Å; M560-L564 PolarHBondContact O-N 3.17Å; W561-L564 HydrophobicContact CE3-CD2 3.81Å; W561-L564 HydrophobicContact CZ3-CD2 3.83Å; W561-L564 PolarHBondContact O-N 3.48Å; L564-G566 PolarHBondContact O-N 2.86Å; L564-A567 PolarHBondContact O-N 3.2Å; L564-F568 WeakPolarHBondContact O-CB 3.36Å; L564-F568 PolarHBondContact O-N 2.88Å
565	L	95.9	Very high	93.2	Very high	90 Å²	90	62.7 Å²	62.7	47%	0.471	30%	0.298	S	S	.	.	H	α-helix	trans	-58.5	-46.9	174.1	-179	65.6	0	0	0	111	W561 L562 S563 A567 F568 T569	W561-L565 WeakPolarHBondContact O-CB 3.4Å; W561-L565 PolarHBondContact O-N 3.36Å; L562-L565 HydrophobicContact CD1-CD2 4.31Å; L562-L565 PolarHBondContact O-N 3.43Å; S563-L565 VanDerWaalsContact C-N 3.33Å; S563-L565 PolarHBondContact O-N 3.14Å; L565-A567 PolarHBondContact O-N 3.29Å; L565-F568 PolarHBondContact O-N 3.35Å; L565-T569 WeakPolarHBondContact O-CB 3.31Å; L565-T569 PolarHBondContact O-N 2.93Å; L565-T569 PolarHBondContact O-OG1 3.1Å
566	G	94.6	Very high	93.3	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-58.5	-43.2	175.9	0	0	0	0	0	113.2	L562 S563 L564 C570	L562-G566 PolarHBondContact O-N 3.5Å; S563-G566 PolarHBondContact O-N 3.4Å; L564-G566 PolarHBondContact O-N 2.86Å; G566-C570 WeakPolarHBondContact O-CB 3.46Å; G566-C570 PolarHBondContact O-N 3Å; G566-C570 PolarHBondContact O-SG 2.73Å
567	A	95.4	Very high	93.2	Very high	7 Å²	7	58.7 Å²	58.7	6%	0.058	28%	0.281	C	S	.	.	H	α-helix	trans	-63.9	-43.2	176.2	0	0	0	0	0	112.2	N537 S563 L564 L565 T571	N537-A567 HydrophobicContact CB-CB 3.78Å; S563-A567 PolarHBondContact O-N 2.86Å; L564-A567 PolarHBondContact O-N 3.2Å; L565-A567 PolarHBondContact O-N 3.29Å; A567-T571 PolarHBondContact O-N 3.25Å; A567-T571 VanDerWaalsContact O-N 3.07Å; A567-T571 PolarHBondContact O-OG1 3.26Å
568	F	95.2	Very high	93.1	Very high	135 Å²	135	53 Å²	53	59%	0.592	26%	0.26	S	S	*	.	H	α-helix	trans	-63.2	-50.7	177.4	179.5	-102.3	0	0	0	111.4	L564 L565 C570 T571 V572	L564-F568 WeakPolarHBondContact O-CB 3.36Å; L564-F568 PolarHBondContact O-N 2.88Å; L565-F568 PolarHBondContact O-N 3.35Å; F568-C570 PolarHBondContact O-N 3.02Å; F568-T571 PolarHBondContact O-N 3.42Å; F568-T571 VanDerWaalsContact O-N 3.17Å; F568-V572 HydrophobicContact CD1-CG2 4.31Å; F568-V572 HydrophobicContact CD2-CG2 4.38Å; F568-V572 HydrophobicContact CE1-CG2 3.91Å; F568-V572 HydrophobicContact CE2-CG2 3.99Å; F568-V572 HydrophobicContact CZ-CG2 3.74Å; F568-V572 WeakPolarHBondContact O-CG2 3.26Å; F568-V572 PolarHBondContact O-N 3.22Å
569	T	93.5	Very high	93.1	Very high	29 Å²	29	59.5 Å²	59.5	18%	0.178	28%	0.284	C	S	.	.	H	α-helix	trans	-60.1	-43.1	178.6	-56.4	0	0	0	0	111.7	I189 L565 T571 V572 M573	I189-T569 HydrophobicContact CD1-CG2 4.19Å; I189-T569 HydrophobicContact CG1-CG2 3.87Å; L565-T569 WeakPolarHBondContact O-CB 3.31Å; L565-T569 PolarHBondContact O-N 2.93Å; L565-T569 PolarHBondContact O-OG1 3.1Å; T569-T571 VanDerWaalsContact C-N 3.35Å; T569-T571 PolarHBondContact O-N 3.5Å; T569-V572 PolarHBondContact O-N 3.27Å; T569-M573 HydrophobicContact CG2-CG 4.36Å; T569-M573 WeakPolarHBondContact O-CB 3.4Å; T569-M573 WeakPolarHBondContact O-CG 3.42Å; T569-M573 PolarHBondContact O-N 2.91Å
570	C	94.3	Very high	92.9	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.5	-45.8	175.5	-68.2	0	0	0	0	111.7	I189 A534 G566 F568 M573 M574	I189-C570 WeakPolarHBondContact CG2-SG 3.25Å; A534-C570 HydrophobicContact CB-CB 3.73Å; G566-C570 WeakPolarHBondContact O-CB 3.46Å; G566-C570 PolarHBondContact O-N 3Å; G566-C570 PolarHBondContact O-SG 2.73Å; F568-C570 PolarHBondContact O-N 3.02Å; C570-M573 PolarHBondContact O-N 3.18Å; C570-M574 VanDerWaalsContact O-CG 3.32Å; C570-M574 WeakPolarHBondContact O-CG 3.02Å; C570-M574 PolarHBondContact O-N 2.9Å
571	T	92.8	Very high	92.7	Very high	54 Å²	54	58.9 Å²	58.9	33%	0.331	29%	0.285	S	S	.	.	H	α-helix	trans	-64.6	-46.5	-178.1	-54	0	0	0	0	111.1	A567 F568 T569 M573 M574 F575	A567-T571 PolarHBondContact O-N 3.25Å; A567-T571 VanDerWaalsContact O-N 3.07Å; A567-T571 PolarHBondContact O-OG1 3.26Å; F568-T571 PolarHBondContact O-N 3.42Å; F568-T571 VanDerWaalsContact O-N 3.17Å; T569-T571 VanDerWaalsContact C-N 3.35Å; T569-T571 PolarHBondContact O-N 3.5Å; T571-M573 VanDerWaalsContact C-N 3.31Å; T571-M573 PolarHBondContact O-N 3.43Å; T571-M574 PolarHBondContact O-N 3.49Å; T571-F575 HydrophobicContact CG2-CD2 4.16Å; T571-F575 HydrophobicContact CG2-CE2 4.06Å; T571-F575 WeakPolarHBondContact O-CD2 3.48Å; T571-F575 PolarHBondContact O-N 2.83Å
572	V	93.1	Very high	92.5	Very high	63 Å²	63	51.6 Å²	51.6	38%	0.382	26%	0.257	S	S	.	.	H	α-helix	trans	-59.9	-43.5	177.1	172.8	0	0	0	0	110.8	F568 T569 M574 F575 F576	F568-V572 HydrophobicContact CD1-CG2 4.31Å; F568-V572 HydrophobicContact CD2-CG2 4.38Å; F568-V572 HydrophobicContact CE1-CG2 3.91Å; F568-V572 HydrophobicContact CE2-CG2 3.99Å; F568-V572 HydrophobicContact CZ-CG2 3.74Å; F568-V572 WeakPolarHBondContact O-CG2 3.26Å; F568-V572 PolarHBondContact O-N 3.22Å; T569-V572 PolarHBondContact O-N 3.27Å; V572-M574 PolarHBondContact O-N 3.07Å; V572-F575 PolarHBondContact O-N 2.96Å; V572-F576 WeakPolarHBondContact O-CB 3.27Å; V572-F576 PolarHBondContact O-N 3.32Å
573	M	91.7	Very high	92.4	Very high	32 Å²	32	52.7 Å²	52.7	16%	0.158	26%	0.263	C	S	.	.	H	α-helix	trans	-67.7	-34.5	-179.7	-69	-62.4	156.5	0	0	113.2	L185 I189 L351 M530 T569 C570 T571 F576 I577	L185-M573 HydrophobicContact CD1-CE 4.15Å; L185-M573 HydrophobicContact CD2-CE 3.76Å; L185-M573 HydrophobicContact CD2-SD 3.92Å; L185-M573 HydrophobicContact CG-CE 4.46Å; I189-M573 HydrophobicContact CD1-CB 4.5Å; I189-M573 HydrophobicContact CD1-CG 4.06Å; L351-M573 HydrophobicContact CD2-SD 3.94Å; M530-M573 HydrophobicContact CE-CB 4.11Å; M530-M573 HydrophobicContact SD-CB 3.81Å; T569-M573 HydrophobicContact CG2-CG 4.36Å; T569-M573 WeakPolarHBondContact O-CB 3.4Å; T569-M573 WeakPolarHBondContact O-CG 3.42Å; T569-M573 PolarHBondContact O-N 2.91Å; C570-M573 PolarHBondContact O-N 3.18Å; T571-M573 VanDerWaalsContact C-N 3.31Å; T571-M573 PolarHBondContact O-N 3.43Å; M573-F576 PolarHBondContact O-N 3.31Å; M573-F576 HydrophobicContact SD-CD1 4.39Å; M573-I577 WeakPolarHBondContact O-CG1 3.26Å; M573-I577 PolarHBondContact O-N 3.05Å
574	M	92	Very high	92.3	Very high	6 Å²	6	56.9 Å²	56.9	3%	0.03	29%	0.288	C	S	.	.	H	α-helix	trans	-59.8	-49.4	172.2	-72.4	170.9	66.8	0	0	111.7	N527 M530 A531 C570 T571 V572 F576 I577 S578 A582 T585	N527-M574 WeakPolarHBondContact OD1-CE 3.36Å; M530-M574 HydrophobicContact CB-CG 3.41Å; M530-M574 VanDerWaalsContact CB-CG 3.41Å; M530-M574 HydrophobicContact CB-SD 3.9Å; M530-M574 HydrophobicContact CG-CG 4.32Å; M530-M574 HydrophobicContact SD-CG 4.01Å; A531-M574 VanDerWaalsContact CA-SD 3.58Å; A531-M574 HydrophobicContact CB-CE 3.59Å; A531-M574 HydrophobicContact CB-SD 3.96Å; A531-M574 PolarHBondContact N-SD 3.33Å; A531-M574 VanDerWaalsContact N-SD 3.42Å; C570-M574 VanDerWaalsContact O-CG 3.32Å; C570-M574 WeakPolarHBondContact O-CG 3.02Å; C570-M574 PolarHBondContact O-N 2.9Å; T571-M574 PolarHBondContact O-N 3.49Å; V572-M574 PolarHBondContact O-N 3.07Å; M574-F576 VanDerWaalsContact C-N 3.27Å; M574-F576 PolarHBondContact O-N 3.27Å; M574-I577 PolarHBondContact O-N 3.2Å; M574-S578 CarbonylContact O-C 3.32Å; M574-S578 PolarHBondContact O-N 3.31Å; M574-A582 HydrophobicContact CB-CB 3.94Å; M574-T585 VanDerWaalsContact CE-OG1 3.29Å; M574-T585 WeakPolarHBondContact CE-OG1 3.45Å
575	F	92.3	Very high	92	Very high	85 Å²	85	54.8 Å²	54.8	37%	0.373	28%	0.278	S	S	.	.	H	α-helix	trans	-64.8	-33.9	178.1	-82.8	-79.2	0	0	0	112.3	T571 V572 W579 A582	T571-F575 HydrophobicContact CG2-CD2 4.16Å; T571-F575 HydrophobicContact CG2-CE2 4.06Å; T571-F575 WeakPolarHBondContact O-CD2 3.48Å; T571-F575 PolarHBondContact O-N 2.83Å; V572-F575 PolarHBondContact O-N 2.96Å; F575-W579 HydrophobicContact CD1-CB 4.18Å; F575-W579 PolarHBondContact O-N 3.13Å; F575-A582 HydrophobicContact CD1-CB 4.02Å; F575-A582 HydrophobicContact CD2-CB 4.32Å; F575-A582 HydrophobicContact CE1-CB 4.18Å; F575-A582 HydrophobicContact CE2-CB 4.47Å; F575-A582 HydrophobicContact CG-CB 4.09Å; F575-A582 HydrophobicContact CZ-CB 4.4Å
576	F	90.9	Very high	91.8	Very high	110 Å²	110	53 Å²	53	48%	0.482	27%	0.27	S	S	.	.	H	α-helix	trans	-69.3	-37.8	177.1	-174.8	-109	0	0	0	112.9	F347 A348 V572 M573 M574	F347-F576 AromaticContact CD1-CE1 3.91Å; F347-F576 HydrophobicContact CD1-CE1 3.91Å; F347-F576 HydrophobicContact CD1-CZ 4.31Å; F347-F576 HydrophobicContact CE1-CE1 4.39Å; A348-F576 HydrophobicContact CB-CD1 3.88Å; A348-F576 HydrophobicContact CB-CE1 3.51Å; A348-F576 HydrophobicContact CB-CZ 3.99Å; V572-F576 WeakPolarHBondContact O-CB 3.27Å; V572-F576 PolarHBondContact O-N 3.32Å; M573-F576 PolarHBondContact O-N 3.31Å; M573-F576 HydrophobicContact SD-CD1 4.39Å; M574-F576 VanDerWaalsContact C-N 3.27Å; M574-F576 PolarHBondContact O-N 3.27Å
577	I	88.2	Confident	91.7	Very high	27 Å²	27	57.3 Å²	57.3	14%	0.138	29%	0.292	C	S	.	.	H	α-helix	trans	-70.3	-53.4	175.9	-71.9	168.8	0	0	0	111.1	A352 P523 M530 M573 M574	A352-I577 HydrophobicContact CB-CB 4.41Å; A352-I577 HydrophobicContact CB-CD1 4.11Å; A352-I577 HydrophobicContact CB-CG1 4.07Å; A352-I577 HydrophobicContact CB-CG2 3.5Å; P523-I577 HydrophobicContact CB-CG2 4.39Å; M530-I577 HydrophobicContact CE-CD1 3.48Å; M530-I577 VanDerWaalsContact CE-CD1 3.48Å; M530-I577 HydrophobicContact SD-CD1 3.82Å; M573-I577 WeakPolarHBondContact O-CG1 3.26Å; M573-I577 PolarHBondContact O-N 3.05Å; M574-I577 PolarHBondContact O-N 3.2Å
578	S	87.9	Confident	91.5	Very high	31 Å²	31	61.5 Å²	61.5	22%	0.217	31%	0.31	C	S	.	.			trans	-158.5	102.5	-180	178.5	0	0	0	0	110.4	M574 V580 N581 A582	M574-S578 CarbonylContact O-C 3.32Å; M574-S578 PolarHBondContact O-N 3.31Å; S578-V580 VanDerWaalsContact C-N 3.26Å; S578-V580 PolarHBondContact O-N 3.25Å; S578-N581 PolarHBondContact O-N 3.25Å; S578-N581 PolarHBondContact OG-N 3.26Å; S578-N581 PolarHBondContact OG-ND2 3.27Å; S578-A582 VanDerWaalsContact O-CB 3.23Å; S578-A582 WeakPolarHBondContact O-CB 3.37Å; S578-A582 PolarHBondContact O-N 2.82Å
579	W	91	Very high	91.3	Very high	171 Å²	171	56.1 Å²	56.1	65%	0.648	29%	0.287	S	S	*	.	H	α-helix	trans	-61.1	-33.6	-178.6	72.6	-88.7	0	0	0	113.1	F575 L583	F575-W579 HydrophobicContact CD1-CB 4.18Å; F575-W579 PolarHBondContact O-N 3.13Å; W579-L583 VanDerWaalsContact O-CB 3.25Å; W579-L583 WeakPolarHBondContact O-CB 3.32Å; W579-L583 PolarHBondContact O-N 3.33Å
580	V	90.5	Very high	91.1	Very high	68 Å²	68	59.8 Å²	59.8	41%	0.412	30%	0.303	S	S	.	.	H	α-helix	trans	-68.2	-52	178.5	-177.6	0	0	0	0	110.5	S578 A582 L583 V584	S578-V580 VanDerWaalsContact C-N 3.26Å; S578-V580 PolarHBondContact O-N 3.25Å; V580-A582 VanDerWaalsContact C-N 3.31Å; V580-A582 PolarHBondContact O-N 3.4Å; V580-L583 PolarHBondContact O-N 3.44Å; V580-V584 WeakPolarHBondContact O-CG2 3.38Å; V580-V584 PolarHBondContact O-N 2.99Å
581	N	87.9	Confident	91	Very high	61 Å²	61	65.2 Å²	65.2	33%	0.326	33%	0.332	S	S	.	.	H	α-helix	trans	-64.2	-39.3	179.5	-68.6	-20.2	0	0	0	111	N527 S578 V584 T585	N527-N581 PolarHBondContact ND2-O 3.46Å; N527-N581 VanDerWaalsContact ND2-O 3.1Å; S578-N581 PolarHBondContact O-N 3.25Å; S578-N581 PolarHBondContact OG-N 3.26Å; S578-N581 PolarHBondContact OG-ND2 3.27Å; N581-V584 PolarHBondContact O-N 3.23Å; N581-T585 WeakPolarHBondContact O-CG2 3.25Å; N581-T585 PolarHBondContact O-N 2.86Å; N581-T585 PolarHBondContact O-OG1 3.3Å
582	A	91.5	Very high	90.9	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-59.6	-51.2	174.5	0	0	0	0	0	111.3	M574 F575 S578 V580 V584 T585 V586	M574-A582 HydrophobicContact CB-CB 3.94Å; F575-A582 HydrophobicContact CD1-CB 4.02Å; F575-A582 HydrophobicContact CD2-CB 4.32Å; F575-A582 HydrophobicContact CE1-CB 4.18Å; F575-A582 HydrophobicContact CE2-CB 4.47Å; F575-A582 HydrophobicContact CG-CB 4.09Å; F575-A582 HydrophobicContact CZ-CB 4.4Å; S578-A582 VanDerWaalsContact O-CB 3.23Å; S578-A582 WeakPolarHBondContact O-CB 3.37Å; S578-A582 PolarHBondContact O-N 2.82Å; V580-A582 VanDerWaalsContact C-N 3.31Å; V580-A582 PolarHBondContact O-N 3.4Å; A582-V584 PolarHBondContact O-N 3.26Å; A582-T585 WeakPolarHBondContact CA-OG1 3.18Å; A582-T585 PolarHBondContact O-N 2.85Å; A582-T585 PolarHBondContact O-OG1 3.17Å; A582-V586 WeakPolarHBondContact O-CG2 3.32Å; A582-V586 PolarHBondContact O-N 3.15Å
583	L	92.1	Very high	90.5	Very high	79 Å²	79	63.8 Å²	63.8	41%	0.414	32%	0.315	S	S	.	.	H	α-helix	trans	-57.9	-47.1	179.2	-173.1	76	0	0	0	111.7	W579 V580 T585 V586 I587	W579-L583 VanDerWaalsContact O-CB 3.25Å; W579-L583 WeakPolarHBondContact O-CB 3.32Å; W579-L583 PolarHBondContact O-N 3.33Å; V580-L583 PolarHBondContact O-N 3.44Å; L583-T585 VanDerWaalsContact C-N 3.34Å; L583-T585 PolarHBondContact O-N 3.42Å; L583-V586 PolarHBondContact O-N 2.8Å; L583-I587 HydrophobicContact CD1-CD1 4.49Å; L583-I587 HydrophobicContact CD2-CD1 4.48Å; L583-I587 HydrophobicContact CG-CD1 3.98Å; L583-I587 VanDerWaalsContact O-CG1 3.3Å; L583-I587 WeakPolarHBondContact O-CG1 3.34Å; L583-I587 PolarHBondContact O-N 2.95Å
584	V	91.7	Very high	90.3	Very high	90 Å²	90	64.8 Å²	64.8	55%	0.545	32%	0.323	S	S	.	.	H	α-helix	trans	-59.4	-45.6	177.4	172.3	0	0	0	0	110.8	V580 N581 A582 I587 F588	V580-V584 WeakPolarHBondContact O-CG2 3.38Å; V580-V584 PolarHBondContact O-N 2.99Å; N581-V584 PolarHBondContact O-N 3.23Å; A582-V584 PolarHBondContact O-N 3.26Å; V584-I587 PolarHBondContact O-N 2.67Å; V584-F588 WeakPolarHBondContact O-CB 3.28Å; V584-F588 PolarHBondContact O-N 3.41Å
585	T	90.3	Very high	90.2	Very high	12 Å²	12	68.9 Å²	68.9	7%	0.074	34%	0.339	C	S	.	.	H	α-helix	trans	-65.9	-40.3	178.2	50.9	0	0	0	0	113.4	N527 F528 M574 N581 A582 L583 F588 I589	N527-T585 WeakPolarHBondContact ND2-CG2 3.2Å; N527-T585 PolarHBondContact ND2-OG1 3.23Å; F528-T585 HydrophobicContact CD1-CG2 4.22Å; F528-T585 HydrophobicContact CE1-CG2 3.97Å; M574-T585 VanDerWaalsContact CE-OG1 3.29Å; M574-T585 WeakPolarHBondContact CE-OG1 3.45Å; N581-T585 WeakPolarHBondContact O-CG2 3.25Å; N581-T585 PolarHBondContact O-N 2.86Å; N581-T585 PolarHBondContact O-OG1 3.3Å; A582-T585 WeakPolarHBondContact CA-OG1 3.18Å; A582-T585 PolarHBondContact O-N 2.85Å; A582-T585 PolarHBondContact O-OG1 3.17Å; L583-T585 VanDerWaalsContact C-N 3.34Å; L583-T585 PolarHBondContact O-N 3.42Å; T585-F588 PolarHBondContact O-N 3.11Å; T585-I589 WeakPolarHBondContact O-CB 3.23Å; T585-I589 WeakPolarHBondContact O-CD1 3.15Å; T585-I589 WeakPolarHBondContact O-CG1 3.17Å; T585-I589 PolarHBondContact O-N 3.4Å
586	V	90.7	Very high	89.9	Confident	53 Å²	53	64.9 Å²	64.9	32%	0.321	32%	0.321	S	S	.	.	H	α-helix	trans	-64.3	-43.4	176.9	171.3	0	0	0	0	110.9	A582 L583 F588 I589 M590	A582-V586 WeakPolarHBondContact O-CG2 3.32Å; A582-V586 PolarHBondContact O-N 3.15Å; L583-V586 PolarHBondContact O-N 2.8Å; V586-F588 VanDerWaalsContact C-N 3.35Å; V586-F588 PolarHBondContact O-N 3.41Å; V586-I589 PolarHBondContact O-N 2.87Å; V586-M590 HydrophobicContact CG1-CG 4.5Å; V586-M590 WeakPolarHBondContact O-CG 3.27Å; V586-M590 PolarHBondContact O-N 3.4Å
587	I	93	Very high	89.3	Confident	90 Å²	90	61.5 Å²	61.5	46%	0.462	31%	0.314	S	S	.	.	H	α-helix	trans	-60.8	-46.1	175.4	-69.8	168.9	0	0	0	110.4	L583 V584 I589 M590 L591	L583-I587 HydrophobicContact CD1-CD1 4.49Å; L583-I587 HydrophobicContact CD2-CD1 4.48Å; L583-I587 HydrophobicContact CG-CD1 3.98Å; L583-I587 VanDerWaalsContact O-CG1 3.3Å; L583-I587 WeakPolarHBondContact O-CG1 3.34Å; L583-I587 PolarHBondContact O-N 2.95Å; V584-I587 PolarHBondContact O-N 2.67Å; I587-I589 VanDerWaalsContact C-N 3.34Å; I587-I589 PolarHBondContact O-N 3.24Å; I587-M590 PolarHBondContact O-N 3.38Å; I587-L591 HydrophobicContact CG2-CD1 4Å; I587-L591 HydrophobicContact CG2-CG 4.41Å; I587-L591 WeakPolarHBondContact O-CG 3.34Å; I587-L591 PolarHBondContact O-N 3.11Å
588	F	91.5	Very high	89.1	Confident	96 Å²	96	70.3 Å²	70.3	42%	0.421	35%	0.345	S	S	.	.	H	α-helix	trans	-60.4	-42.9	178.1	-178.5	-107.4	0	0	0	112.3	V584 T585 V586 L591 L592	V584-F588 WeakPolarHBondContact O-CB 3.28Å; V584-F588 PolarHBondContact O-N 3.41Å; T585-F588 PolarHBondContact O-N 3.11Å; V586-F588 VanDerWaalsContact C-N 3.35Å; V586-F588 PolarHBondContact O-N 3.41Å; F588-L591 PolarHBondContact O-N 2.98Å; F588-L592 HydrophobicContact CD1-CD1 3.92Å; F588-L592 HydrophobicContact CE1-CD1 3.42Å; F588-L592 VanDerWaalsContact CE1-CD1 3.42Å; F588-L592 HydrophobicContact CE1-CG 4.27Å; F588-L592 HydrophobicContact CE2-CD1 4.47Å; F588-L592 HydrophobicContact CZ-CD1 3.73Å; F588-L592 HydrophobicContact CZ-CG 4.23Å; F588-L592 WeakPolarHBondContact O-CG 3.5Å; F588-L592 PolarHBondContact O-N 2.89Å
589	I	90.6	Very high	88.8	Confident	21 Å²	21	73.2 Å²	73.2	11%	0.108	35%	0.352	C	S	.	.	H	α-helix	trans	-59.8	-48.6	174.5	-73.1	163.7	0	0	0	111.3	I230 A531 L535 T585 V586 I587 L591 L592 Y593	I230-I589 HydrophobicContact CD1-CD1 3.97Å; I230-I589 HydrophobicContact CD1-CG1 3.42Å; I230-I589 VanDerWaalsContact CD1-CG1 3.42Å; A531-I589 HydrophobicContact CB-CD1 4Å; L535-I589 HydrophobicContact CD1-CD1 4.04Å; L535-I589 HydrophobicContact CD1-CG1 4.14Å; L535-I589 HydrophobicContact CD1-CG2 3.98Å; L535-I589 HydrophobicContact CD2-CG2 3.88Å; L535-I589 HydrophobicContact CG-CG2 4.39Å; T585-I589 WeakPolarHBondContact O-CB 3.23Å; T585-I589 WeakPolarHBondContact O-CD1 3.15Å; T585-I589 WeakPolarHBondContact O-CG1 3.17Å; T585-I589 PolarHBondContact O-N 3.4Å; V586-I589 PolarHBondContact O-N 2.87Å; I587-I589 VanDerWaalsContact C-N 3.34Å; I587-I589 PolarHBondContact O-N 3.24Å; I589-L591 VanDerWaalsContact C-N 3.32Å; I589-L591 PolarHBondContact O-N 3.45Å; I589-L592 PolarHBondContact O-N 3.03Å; I589-Y593 WeakPolarHBondContact O-CB 2.98Å; I589-Y593 PolarHBondContact O-N 3.41Å
590	M	89.3	Confident	87.8	Confident	107 Å²	107	72.5 Å²	72.5	53%	0.527	35%	0.353	S	S	.	.	H	α-helix	trans	-63.3	-39.1	-179.6	-73.4	-61.1	-66	0	0	111.8	V586 I587 Y593 V594	V586-M590 HydrophobicContact CG1-CG 4.5Å; V586-M590 WeakPolarHBondContact O-CG 3.27Å; V586-M590 PolarHBondContact O-N 3.4Å; I587-M590 PolarHBondContact O-N 3.38Å; M590-Y593 PolarHBondContact O-N 2.87Å; M590-V594 WeakPolarHBondContact O-CB 3.25Å; M590-V594 VanDerWaalsContact O-CG2 3.27Å; M590-V594 WeakPolarHBondContact O-CG2 3.45Å; M590-V594 PolarHBondContact O-N 3.47Å
591	L	92.5	Very high	86.7	Confident	114 Å²	114	70.4 Å²	70.4	60%	0.597	34%	0.34	S	S	*	.	H	α-helix	trans	-63.9	-43.9	174.7	-72.8	173	0	0	0	111.9	I587 F588 I589 Y595	I587-L591 HydrophobicContact CG2-CD1 4Å; I587-L591 HydrophobicContact CG2-CG 4.41Å; I587-L591 WeakPolarHBondContact O-CG 3.34Å; I587-L591 PolarHBondContact O-N 3.11Å; F588-L591 PolarHBondContact O-N 2.98Å; I589-L591 VanDerWaalsContact C-N 3.32Å; I589-L591 PolarHBondContact O-N 3.45Å; L591-Y595 WeakPolarHBondContact O-CB 3.36Å; L591-Y595 PolarHBondContact O-N 2.99Å
592	L	89.3	Confident	85.5	Confident	22 Å²	22	73.2 Å²	73.2	12%	0.115	36%	0.356	C	S	.	.	H	α-helix	trans	-61.2	-46.9	174.8	-76.1	175.2	0	0	0	111.3	I229 F482 F588 I589 Y595 L596	I229-L592 HydrophobicContact CD1-CD2 4.28Å; I229-L592 HydrophobicContact CG2-CD1 4.4Å; F482-L592 HydrophobicContact CE1-CD2 3.73Å; F482-L592 HydrophobicContact CZ-CD2 3.97Å; F588-L592 HydrophobicContact CD1-CD1 3.92Å; F588-L592 HydrophobicContact CE1-CD1 3.42Å; F588-L592 VanDerWaalsContact CE1-CD1 3.42Å; F588-L592 HydrophobicContact CE1-CG 4.27Å; F588-L592 HydrophobicContact CE2-CD1 4.47Å; F588-L592 HydrophobicContact CZ-CD1 3.73Å; F588-L592 HydrophobicContact CZ-CG 4.23Å; F588-L592 WeakPolarHBondContact O-CG 3.5Å; F588-L592 PolarHBondContact O-N 2.89Å; I589-L592 PolarHBondContact O-N 3.03Å; L592-Y595 PolarHBondContact O-N 3.27Å; L592-L596 WeakPolarHBondContact O-CG 3.26Å; L592-L596 PolarHBondContact O-N 3.3Å; L592-L596 VanDerWaalsContact O-N 3.07Å
593	Y	85.9	Confident	84.3	Confident	65 Å²	65	75 Å²	75	26%	0.255	37%	0.366	S	S	.	.	H	α-helix	trans	-61.6	-48.6	179.2	-175	-93.8	0	0	0	112.2	D222 F223 I589 M590 Y595 L596 A597	D222-Y593 HydrophobicContact CB-CD2 4.13Å; D222-Y593 HydrophobicContact CB-CE2 3.79Å; F223-Y593 HydrophobicContact CD1-CE2 4.47Å; F223-Y593 HydrophobicContact CE1-CE2 4.19Å; F223-Y593 HydrophobicContact CZ-CE2 4.22Å; I589-Y593 WeakPolarHBondContact O-CB 2.98Å; I589-Y593 PolarHBondContact O-N 3.41Å; M590-Y593 PolarHBondContact O-N 2.87Å; Y593-Y595 VanDerWaalsContact C-N 3.33Å; Y593-Y595 PolarHBondContact O-N 3.4Å; Y593-L596 PolarHBondContact O-N 3.48Å; Y593-A597 WeakPolarHBondContact O-CB 3.39Å; Y593-A597 PolarHBondContact O-N 2.96Å
594	V	86.9	Confident	83.1	Confident	52 Å²	52	79.3 Å²	79.3	32%	0.315	39%	0.39	S	S	.	.	H	α-helix	trans	-64.2	-37.7	178.4	170.9	0	0	0	0	111.8	M590 L596 R598	M590-V594 WeakPolarHBondContact O-CB 3.25Å; M590-V594 VanDerWaalsContact O-CG2 3.27Å; M590-V594 WeakPolarHBondContact O-CG2 3.45Å; M590-V594 PolarHBondContact O-N 3.47Å; V594-L596 VanDerWaalsContact C-N 3.35Å; V594-R598 WeakPolarHBondContact O-CG 3.45Å; V594-R598 PolarHBondContact O-N 3.43Å; V594-R598 VanDerWaalsContact O-N 3.08Å
595	Y	89.9	Confident	81.7	Confident	93 Å²	93	76.9 Å²	76.9	37%	0.365	37%	0.371	S	S	.	.	H	α-helix	trans	-59.3	-46.1	174.8	174	-94.1	0	0	0	111.3	F482 P483 L591 L592 Y593 R599	F482-Y595 AromaticContact CD1-CD1 3.94Å; F482-Y595 HydrophobicContact CD1-CD1 3.94Å; F482-Y595 AromaticContact CD1-CE1 3.61Å; F482-Y595 HydrophobicContact CD1-CE1 3.61Å; F482-Y595 AromaticContact CE1-CD1 3.78Å; F482-Y595 HydrophobicContact CE1-CD1 3.78Å; F482-Y595 AromaticContact CE1-CE1 3.96Å; F482-Y595 HydrophobicContact CE1-CE1 3.96Å; P483-Y595 WeakPolarHBondContact CD-OH 3.4Å; L591-Y595 WeakPolarHBondContact O-CB 3.36Å; L591-Y595 PolarHBondContact O-N 2.99Å; L592-Y595 PolarHBondContact O-N 3.27Å; Y593-Y595 VanDerWaalsContact C-N 3.33Å; Y593-Y595 PolarHBondContact O-N 3.4Å; Y595-R599 WeakPolarHBondContact O-CB 3.31Å; Y595-R599 PolarHBondContact O-N 3.32Å; Y595-R599 VanDerWaalsContact O-N 3.11Å
596	L	85.6	Confident	80.3	Confident	0 Å²	0	78.9 Å²	78.9	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-67.1	-45.9	178.9	-65.9	-176.8	0	0	0	112.6	D222 I481 F482 L592 Y593 V594 R598 R599 K600	D222-L596 WeakPolarHBondContact OD1-CB 3.18Å; I481-L596 HydrophobicContact CG2-CD1 4.08Å; I481-L596 HydrophobicContact CG2-CD2 3.34Å; I481-L596 HydrophobicContact CG2-CG 4.33Å; F482-L596 HydrophobicContact CD1-CD2 4.16Å; F482-L596 HydrophobicContact CE1-CD1 4.44Å; F482-L596 HydrophobicContact CE1-CD2 3.66Å; F482-L596 HydrophobicContact CE1-CG 4.11Å; F482-L596 HydrophobicContact CE2-CD1 4.24Å; F482-L596 HydrophobicContact CE2-CD2 4.14Å; F482-L596 HydrophobicContact CZ-CD1 3.73Å; F482-L596 HydrophobicContact CZ-CD2 3.66Å; F482-L596 HydrophobicContact CZ-CG 3.89Å; L592-L596 WeakPolarHBondContact O-CG 3.26Å; L592-L596 PolarHBondContact O-N 3.3Å; L592-L596 VanDerWaalsContact O-N 3.07Å; Y593-L596 PolarHBondContact O-N 3.48Å; V594-L596 VanDerWaalsContact C-N 3.35Å; L596-R598 VanDerWaalsContact C-N 3.28Å; L596-R598 PolarHBondContact O-N 3.43Å; L596-R599 PolarHBondContact O-N 3.32Å; L596-R599 VanDerWaalsContact O-N 3.12Å; L596-K600 PolarHBondContact O-N 3.25Å; L596-K600 VanDerWaalsContact O-N 3.13Å
597	A	79.5	Confident	79.2	Confident	40 Å²	40	77.9 Å²	77.9	33%	0.331	39%	0.386	S	S	.	.	H	α-helix	trans	-59.5	-36.2	178.5	0	0	0	0	0	112.9	Y593 K600	Y593-A597 WeakPolarHBondContact O-CB 3.39Å; Y593-A597 PolarHBondContact O-N 2.96Å; A597-K600 WeakPolarHBondContact O-CG 3.35Å
598	R	84.3	Confident	78.1	Confident	211 Å²	211	74.2 Å²	74.2	80%	0.796	37%	0.369	S	S	*	.	H	α-helix	trans	-75.3	-36.7	175.9	-76.7	-173.7	176.1	136.9	0.3	113.1	V594 L596 K600	V594-R598 WeakPolarHBondContact O-CG 3.45Å; V594-R598 PolarHBondContact O-N 3.43Å; V594-R598 VanDerWaalsContact O-N 3.08Å; L596-R598 VanDerWaalsContact C-N 3.28Å; L596-R598 PolarHBondContact O-N 3.43Å; R598-K600 VanDerWaalsContact C-N 3.28Å; R598-K600 PolarHBondContact O-N 3.02Å
599	R	80.3	Confident	77	Confident	93 Å²	93	72.8 Å²	72.8	35%	0.351	37%	0.368	S	S	.	.	H	α-helix	trans	-67.6	-31.8	-179	-164.7	-176.5	-177.1	-137.7	-6.2	111.6	R480 I481 Y595 L596	R480-R599 PolarHBondContact O-NH1 3.04Å; I481-R599 PolarHBondContact O-NH1 3.09Å; Y595-R599 WeakPolarHBondContact O-CB 3.31Å; Y595-R599 PolarHBondContact O-N 3.32Å; Y595-R599 VanDerWaalsContact O-N 3.11Å; L596-R599 PolarHBondContact O-N 3.32Å; L596-R599 VanDerWaalsContact O-N 3.12Å
600	K	70.5	Confident	76	Confident	156 Å²	156	77.6 Å²	77.6	68%	0.678	39%	0.39	S	S	*	.			trans	46.2	70.9	-171.9	-66.5	-167.9	176	-168.6	0	110.3	L596 A597 R598 D602	L596-K600 PolarHBondContact O-N 3.25Å; L596-K600 VanDerWaalsContact O-N 3.13Å; A597-K600 WeakPolarHBondContact O-CG 3.35Å; R598-K600 VanDerWaalsContact C-N 3.28Å; R598-K600 PolarHBondContact O-N 3.02Å; K600-D602 PolarHBondContact O-N 3.44Å
601	P	67.7	Low	75.1	Confident	23 Å²	23	73.8 Å²	73.8	15%	0.149	38%	0.375	C	S	.	.			trans	-54.9	136.5	-178.5	24.3	-32.8	0	0	0	110	P221 V603	P221-P601 HydrophobicContact CB-CG 3.87Å; P221-P601 HydrophobicContact CG-CG 4.03Å; P601-V603 HydrophobicContact CB-CG2 4.04Å; P601-V603 HydrophobicContact CG-CG2 4.06Å; P601-V603 PolarHBondContact O-N 3.24Å
602	D	63.4	Low	74.1	Confident	121 Å²	121	70 Å²	70	65%	0.647	36%	0.356	S	S	*	.	S	Bend	trans	-74.1	54.3	-178.1	-64.6	-36.9	0	0	0	111.1	K600	K600-D602 PolarHBondContact O-N 3.44Å
603	V	65.7	Low	73.5	Confident	36 Å²	36	72.4 Å²	72.4	22%	0.218	37%	0.374	C	S	.	.			trans	-118.2	121.1	-179.4	-65.6	0	0	0	0	110.6	P221 P601 W605	P221-V603 HydrophobicContact CB-CG2 3.67Å; P221-V603 HydrophobicContact CG-CG2 3.79Å; P601-V603 HydrophobicContact CB-CG2 4.04Å; P601-V603 HydrophobicContact CG-CG2 4.06Å; P601-V603 PolarHBondContact O-N 3.24Å; V603-W605 VanDerWaalsContact C-N 3.26Å; V603-W605 HydrophobicContact CB-CD2 3.93Å; V603-W605 HydrophobicContact CB-CG 4.25Å; V603-W605 HydrophobicContact CB-CZ2 3.96Å; V603-W605 HydrophobicContact CG1-CH2 4.47Å; V603-W605 HydrophobicContact CG1-CZ2 3.86Å; V603-W605 HydrophobicContact CG2-CD2 3.82Å; V603-W605 HydrophobicContact CG2-CE3 3.98Å; V603-W605 HydrophobicContact CG2-CG 4.32Å; V603-W605 HydrophobicContact CG2-CH2 4.38Å; V603-W605 HydrophobicContact CG2-CZ2 4.22Å; V603-W605 HydrophobicContact CG2-CZ3 4.25Å; V603-W605 PolarHBondContact O-N 3.43Å
604	N	65.7	Low	73.2	Confident	171 Å²	171	76.3 Å²	76.3	91%	0.914	39%	0.393	S	S	*	.			trans	-84.5	58.6	-178	-69.6	-16.7	0	0	0	111.7	G606	N604-G606 VanDerWaalsContact C-N 3.34Å
605	W	63.9	Low	72.8	Confident	39 Å²	39	78.8 Å²	78.8	15%	0.148	40%	0.397	C	S	.	.	S	Bend	trans	-92.3	-0.2	179.6	-55.4	-15.7	0	0	0	113.3	P221 D479 I481 V603	P221-W605 HydrophobicContact CB-CE3 3.7Å; P221-W605 HydrophobicContact CB-CZ3 3.74Å; P221-W605 HydrophobicContact CG-CE3 4.34Å; D479-W605 HydrophobicContact CB-CH2 3.55Å; D479-W605 HydrophobicContact CB-CZ2 3.86Å; D479-W605 VanDerWaalsContact CG-CZ2 3.44Å; D479-W605 WeakPolarHBondContact OD2-CH2 3.31Å; I481-W605 HydrophobicContact CD1-CH2 3.6Å; I481-W605 HydrophobicContact CD1-CZ3 3.58Å; I481-W605 HydrophobicContact CG1-CH2 3.95Å; I481-W605 HydrophobicContact CG1-CZ3 4.28Å; V603-W605 VanDerWaalsContact C-N 3.26Å; V603-W605 HydrophobicContact CB-CD2 3.93Å; V603-W605 HydrophobicContact CB-CG 4.25Å; V603-W605 HydrophobicContact CB-CZ2 3.96Å; V603-W605 HydrophobicContact CG1-CH2 4.47Å; V603-W605 HydrophobicContact CG1-CZ2 3.86Å; V603-W605 HydrophobicContact CG2-CD2 3.82Å; V603-W605 HydrophobicContact CG2-CE3 3.98Å; V603-W605 HydrophobicContact CG2-CG 4.32Å; V603-W605 HydrophobicContact CG2-CH2 4.38Å; V603-W605 HydrophobicContact CG2-CZ2 4.22Å; V603-W605 HydrophobicContact CG2-CZ3 4.25Å; V603-W605 PolarHBondContact O-N 3.43Å
606	G	60.8	Low	72.7	Confident	53 Å²	53	77.9 Å²	77.9	55%	0.546	40%	0.398	S	S	.	.			trans	75.8	138	-162.3	0	0	0	0	0	109.4	N604	N604-G606 VanDerWaalsContact C-N 3.34Å
607	D	67.7	Low	72.8	Confident	32 Å²	32	80.2 Å²	80.2	17%	0.171	42%	0.418	C	S	.	.			trans	-126.1	126.6	-179.7	173.6	-3.4	0	0	0	105.9	T609 Q610 A611	D607-T609 PolarHBondContact O-N 3.31Å; D607-T609 WeakPolarHBondContact OD1-CB 3.46Å; D607-T609 WeakPolarHBondContact OD1-CG2 3.46Å; D607-T609 PolarHBondContact OD1-N 3.05Å; D607-T609 PolarHBondContact OD1-OG1 3.35Å; D607-T609 PolarHBondContact OD2-OG1 2.95Å; D607-Q610 HydrophobicContact CB-CB 4.1Å; D607-Q610 HydrophobicContact CB-CG 3.9Å; D607-Q610 PolarHBondContact O-N 3.44Å; D607-Q610 VanDerWaalsContact O-N 3.1Å; D607-Q610 PolarHBondContact OD2-NE2 2.94Å; D607-A611 PolarHBondContact O-N 2.84Å
608	S	68.2	Low	73.2	Confident	13 Å²	13	81.1 Å²	81.1	9%	0.091	42%	0.419	C	S	.	.	H	α-helix	trans	-60.3	-29.3	-179.9	63.8	0	0	0	0	110.7	D542 N612	D542-S608 PolarHBondContact OD2-OG 3.25Å; S608-N612 WeakPolarHBondContact O-CB 3.37Å; S608-N612 PolarHBondContact O-N 3Å; S608-N612 PolarHBondContact O-ND2 3.27Å
609	T	68.3	Low	73.5	Confident	67 Å²	67	76.4 Å²	76.4	41%	0.411	41%	0.406	S	S	.	.	H	α-helix	trans	-69.3	-40	176.1	75.2	0	0	0	0	112	D607 N612 S613	D607-T609 PolarHBondContact O-N 3.31Å; D607-T609 WeakPolarHBondContact OD1-CB 3.46Å; D607-T609 WeakPolarHBondContact OD1-CG2 3.46Å; D607-T609 PolarHBondContact OD1-N 3.05Å; D607-T609 PolarHBondContact OD1-OG1 3.35Å; D607-T609 PolarHBondContact OD2-OG1 2.95Å; T609-N612 PolarHBondContact O-N 3.24Å; T609-S613 PolarHBondContact O-N 2.93Å
610	Q	70.1	Confident	74.1	Confident	122 Å²	122	76.7 Å²	76.7	57%	0.57	41%	0.414	S	S	*	.	H	α-helix	trans	-68.6	-43.1	175.4	-67.9	178.9	28.2	0	0	111.2	D607 N612 S613 F614	D607-Q610 HydrophobicContact CB-CB 4.1Å; D607-Q610 HydrophobicContact CB-CG 3.9Å; D607-Q610 PolarHBondContact O-N 3.44Å; D607-Q610 VanDerWaalsContact O-N 3.1Å; D607-Q610 PolarHBondContact OD2-NE2 2.94Å; Q610-N612 VanDerWaalsContact C-N 3.32Å; Q610-N612 PolarHBondContact O-N 3.4Å; Q610-S613 PolarHBondContact O-N 2.85Å; Q610-S613 VanDerWaalsContact O-N 3.16Å; Q610-S613 PolarHBondContact O-OG 3.46Å; Q610-F614 PolarHBondContact O-N 3.44Å
611	A	71.1	Confident	75	Confident	26 Å²	26	71.7 Å²	71.7	22%	0.215	39%	0.394	C	S	.	.	H	α-helix	trans	-58.8	-44.2	175.4	0	0	0	0	0	111.4	D607 F614 R615	D607-A611 PolarHBondContact O-N 2.84Å; A611-F614 PolarHBondContact O-N 3.25Å; A611-R615 WeakPolarHBondContact O-CB 3.23Å; A611-R615 PolarHBondContact O-N 3.44Å
612	N	72.1	Confident	76.1	Confident	36 Å²	36	75.3 Å²	75.3	19%	0.193	41%	0.411	C	S	.	.	H	α-helix	trans	-62.7	-42.4	174	-83.5	-37.3	0	0	0	112.4	A546 S608 T609 Q610 F614 R615 N616	A546-N612 WeakPolarHBondContact CB-OD1 3.37Å; S608-N612 WeakPolarHBondContact O-CB 3.37Å; S608-N612 PolarHBondContact O-N 3Å; S608-N612 PolarHBondContact O-ND2 3.27Å; T609-N612 PolarHBondContact O-N 3.24Å; Q610-N612 VanDerWaalsContact C-N 3.32Å; Q610-N612 PolarHBondContact O-N 3.4Å; N612-F614 VanDerWaalsContact C-N 3.34Å; N612-F614 PolarHBondContact O-N 3.44Å; N612-R615 PolarHBondContact O-N 3.33Å; N612-N616 VanDerWaalsContact O-CB 3.31Å; N612-N616 WeakPolarHBondContact O-CB 3.34Å; N612-N616 PolarHBondContact O-N 3.49Å; N612-N616 PolarHBondContact O-ND2 2.93Å
613	S	76.4	Confident	77.5	Confident	71 Å²	71	76.1 Å²	76.1	50%	0.497	41%	0.409	S	S	.	.	H	α-helix	trans	-62.3	-40.3	177.3	76.3	0	0	0	0	112.6	T609 Q610 A617	T609-S613 PolarHBondContact O-N 2.93Å; Q610-S613 PolarHBondContact O-N 2.85Å; Q610-S613 VanDerWaalsContact O-N 3.16Å; Q610-S613 PolarHBondContact O-OG 3.46Å; S613-A617 WeakPolarHBondContact O-CB 3.34Å; S613-A617 PolarHBondContact O-N 2.98Å
614	F	79.1	Confident	78.6	Confident	147 Å²	147	77.7 Å²	77.7	65%	0.645	42%	0.416	S	S	*	.	H	α-helix	trans	-67.8	-47.5	175.9	-179.8	-92.9	0	0	0	111.4	Q610 A611 N612 N616 A617 V618	Q610-F614 PolarHBondContact O-N 3.44Å; A611-F614 PolarHBondContact O-N 3.25Å; N612-F614 VanDerWaalsContact C-N 3.34Å; N612-F614 PolarHBondContact O-N 3.44Å; F614-N616 VanDerWaalsContact C-N 3.31Å; F614-N616 PolarHBondContact O-N 3.32Å; F614-A617 WeakPolarHBondContact O-CB 3.31Å; F614-A617 PolarHBondContact O-N 2.86Å; F614-A617 VanDerWaalsContact O-N 3.13Å; F614-V618 HydrophobicContact CD1-CG2 4.14Å; F614-V618 HydrophobicContact CE1-CG2 3.69Å; F614-V618 HydrophobicContact CE2-CG2 4.27Å; F614-V618 HydrophobicContact CZ-CG2 3.76Å; F614-V618 WeakPolarHBondContact O-CG2 3.41Å; F614-V618 PolarHBondContact O-N 3.44Å
615	R	78.4	Confident	79.7	Confident	104 Å²	104	74.9 Å²	74.9	39%	0.392	40%	0.397	S	S	.	.	H	α-helix	trans	-57.2	-45.5	176.8	-173.6	178.4	73.3	90.2	-3.5	111.2	A611 N612 V618 H619	A611-R615 WeakPolarHBondContact O-CB 3.23Å; A611-R615 PolarHBondContact O-N 3.44Å; N612-R615 PolarHBondContact O-N 3.33Å; R615-V618 PolarHBondContact O-N 2.94Å; R615-H619 VanDerWaalsContact O-CB 3.23Å; R615-H619 WeakPolarHBondContact O-CB 3.4Å; R615-H619 PolarHBondContact O-N 2.9Å
616	N	87.7	Confident	80.9	Confident	74 Å²	74	80.8 Å²	80.8	40%	0.396	43%	0.429	S	S	.	.	H	α-helix	trans	-64.3	-40.9	176.9	-70.1	-12.7	0	0	0	111.5	N612 F614 N620	N612-N616 VanDerWaalsContact O-CB 3.31Å; N612-N616 WeakPolarHBondContact O-CB 3.34Å; N612-N616 PolarHBondContact O-N 3.49Å; N612-N616 PolarHBondContact O-ND2 2.93Å; F614-N616 VanDerWaalsContact C-N 3.31Å; F614-N616 PolarHBondContact O-N 3.32Å; N616-N620 WeakPolarHBondContact O-CB 3.4Å; N616-N620 PolarHBondContact O-N 3.47Å; N616-N620 PolarHBondContact O-ND2 3.27Å; N616-N620 VanDerWaalsContact O-ND2 3.11Å
617	A	88.5	Confident	82.1	Confident	50 Å²	50	81.8 Å²	81.8	41%	0.413	42%	0.424	S	S	.	.	H	α-helix	trans	-61.5	-49.9	175.9	0	0	0	0	0	111.8	S613 F614 N620 M621	S613-A617 WeakPolarHBondContact O-CB 3.34Å; S613-A617 PolarHBondContact O-N 2.98Å; F614-A617 WeakPolarHBondContact O-CB 3.31Å; F614-A617 PolarHBondContact O-N 2.86Å; F614-A617 VanDerWaalsContact O-N 3.13Å; A617-N620 PolarHBondContact O-N 3.34Å; A617-M621 WeakPolarHBondContact O-CB 3.32Å; A617-M621 VanDerWaalsContact O-CG 3.26Å; A617-M621 WeakPolarHBondContact O-CG 3.49Å; A617-M621 PolarHBondContact O-N 3.49Å
618	V	87.6	Confident	82.9	Confident	58 Å²	58	88.7 Å²	88.7	35%	0.352	46%	0.455	S	S	.	.	H	α-helix	trans	-62.2	-46.7	177.7	173.6	0	0	0	0	111.3	F614 R615 N620 M621 L622	F614-V618 HydrophobicContact CD1-CG2 4.14Å; F614-V618 HydrophobicContact CE1-CG2 3.69Å; F614-V618 HydrophobicContact CE2-CG2 4.27Å; F614-V618 HydrophobicContact CZ-CG2 3.76Å; F614-V618 WeakPolarHBondContact O-CG2 3.41Å; F614-V618 PolarHBondContact O-N 3.44Å; R615-V618 PolarHBondContact O-N 2.94Å; V618-N620 PolarHBondContact O-N 3.19Å; V618-M621 WeakPolarHBondContact O-CB 3.38Å; V618-M621 PolarHBondContact O-N 3.09Å; V618-L622 HydrophobicContact CG1-CD1 3.98Å; V618-L622 HydrophobicContact CG1-CG 4.41Å; V618-L622 WeakPolarHBondContact O-CG 3.26Å; V618-L622 PolarHBondContact O-N 3.39Å
619	H	90.3	Very high	83.2	Confident	112 Å²	112	94.3 Å²	94.3	52%	0.519	48%	0.484	S	S	.	.	H	α-helix	trans	-61.5	-43.4	179.1	-175.3	75.7	0	0	0	111.9	R615 M621 L622 K623	R615-H619 VanDerWaalsContact O-CB 3.23Å; R615-H619 WeakPolarHBondContact O-CB 3.4Å; R615-H619 PolarHBondContact O-N 2.9Å; H619-M621 VanDerWaalsContact C-N 3.34Å; H619-M621 PolarHBondContact O-N 2.97Å; H619-L622 PolarHBondContact O-N 3.13Å; H619-K623 WeakPolarHBondContact O-CB 3.44Å; H619-K623 PolarHBondContact O-N 3.42Å
620	N	91.9	Very high	83.8	Confident	99 Å²	99	94.9 Å²	94.9	53%	0.529	48%	0.482	S	S	.	.	H	α-helix	trans	-66	-35.6	175.6	-72	-25.1	0	0	0	112.1	N616 A617 V618 K623 L624	N616-N620 WeakPolarHBondContact O-CB 3.4Å; N616-N620 PolarHBondContact O-N 3.47Å; N616-N620 PolarHBondContact O-ND2 3.27Å; N616-N620 VanDerWaalsContact O-ND2 3.11Å; A617-N620 PolarHBondContact O-N 3.34Å; V618-N620 PolarHBondContact O-N 3.19Å; N620-K623 PolarHBondContact O-N 3.17Å; N620-L624 VanDerWaalsContact O-CB 3.3Å; N620-L624 WeakPolarHBondContact O-CB 3.49Å; N620-L624 PolarHBondContact O-N 3.47Å
621	M	90.3	Very high	84.1	Confident	51 Å²	51	90.7 Å²	90.7	25%	0.251	47%	0.465	S	S	.	.	H	α-helix	trans	-65.8	-45.1	174.4	-76.9	-172.6	128.9	0	0	112.4	A617 V618 H619 K623 L624 Q625 M724 L727	A617-M621 WeakPolarHBondContact O-CB 3.32Å; A617-M621 VanDerWaalsContact O-CG 3.26Å; A617-M621 WeakPolarHBondContact O-CG 3.49Å; A617-M621 PolarHBondContact O-N 3.49Å; V618-M621 WeakPolarHBondContact O-CB 3.38Å; V618-M621 PolarHBondContact O-N 3.09Å; H619-M621 VanDerWaalsContact C-N 3.34Å; H619-M621 PolarHBondContact O-N 2.97Å; M621-K623 VanDerWaalsContact C-N 3.34Å; M621-L624 PolarHBondContact O-N 2.91Å; M621-Q625 PolarHBondContact O-N 3.41Å; M621-M724 HydrophobicContact CE-CB 3.58Å; M621-M724 HydrophobicContact CE-CE 3.65Å; M621-M724 HydrophobicContact SD-CB 4.33Å; M621-M724 HydrophobicContact SD-CE 3.91Å; M621-L727 HydrophobicContact CE-CB 4.24Å; M621-L727 HydrophobicContact CE-CD1 3.46Å; M621-L727 VanDerWaalsContact CE-CD1 3.46Å; M621-L727 HydrophobicContact CE-CG 4.01Å
622	L	91.1	Very high	84.5	Confident	99 Å²	99	95.8 Å²	95.8	52%	0.518	48%	0.482	S	S	.	.	H	α-helix	trans	-63.1	-41.1	175.6	-69.5	170.6	0	0	0	111.3	V618 H619 L624 Q625 M626	V618-L622 HydrophobicContact CG1-CD1 3.98Å; V618-L622 HydrophobicContact CG1-CG 4.41Å; V618-L622 WeakPolarHBondContact O-CG 3.26Å; V618-L622 PolarHBondContact O-N 3.39Å; H619-L622 PolarHBondContact O-N 3.13Å; L622-L624 VanDerWaalsContact C-N 3.34Å; L622-L624 PolarHBondContact O-N 2.92Å; L622-Q625 WeakPolarHBondContact O-CB 3.45Å; L622-Q625 PolarHBondContact O-N 2.73Å; L622-M626 PolarHBondContact O-N 3.02Å
623	K	91.7	Very high	85	Confident	139 Å²	139	98.3 Å²	98.3	60%	0.604	50%	0.499	S	S	*	.	H	α-helix	trans	-62.1	-41.5	173.6	-174.3	174.5	-178.6	173.7	0	111.9	H619 N620 M621 Q625 M626 T627	H619-K623 WeakPolarHBondContact O-CB 3.44Å; H619-K623 PolarHBondContact O-N 3.42Å; N620-K623 PolarHBondContact O-N 3.17Å; M621-K623 VanDerWaalsContact C-N 3.34Å; K623-Q625 VanDerWaalsContact C-N 3.34Å; K623-M626 PolarHBondContact O-N 2.88Å; K623-T627 PolarHBondContact O-N 3.22Å; K623-T627 PolarHBondContact O-OG1 3.01Å
624	L	89.9	Confident	85.5	Confident	68 Å²	68	97.1 Å²	97.1	36%	0.356	48%	0.484	S	S	.	.	H	α-helix	trans	-65.4	-37.5	177.1	-173.2	65.8	0	0	0	111.5	N620 M621 L622 M626 T627 K726 L727	N620-L624 VanDerWaalsContact O-CB 3.3Å; N620-L624 WeakPolarHBondContact O-CB 3.49Å; N620-L624 PolarHBondContact O-N 3.47Å; M621-L624 PolarHBondContact O-N 2.91Å; L622-L624 VanDerWaalsContact C-N 3.34Å; L622-L624 PolarHBondContact O-N 2.92Å; L624-M626 VanDerWaalsContact C-N 3.28Å; L624-M626 PolarHBondContact O-N 3.49Å; L624-T627 WeakPolarHBondContact O-CB 3.32Å; L624-T627 PolarHBondContact O-N 3.25Å; L624-T627 VanDerWaalsContact O-N 3.16Å; L624-K726 HydrophobicContact CD2-CB 4.01Å; L624-K726 HydrophobicContact CG-CB 4.03Å; L624-K726 HydrophobicContact CG-CD 4.34Å; L624-K726 HydrophobicContact CG-CG 4.48Å; L624-K726 VanDerWaalsContact O-CD 3.27Å; L624-K726 WeakPolarHBondContact O-CD 3.49Å; L624-K726 WeakPolarHBondContact O-CE 3.45Å; L624-L727 HydrophobicContact CD2-CD2 3.74Å; L624-L727 HydrophobicContact CD2-CG 4.16Å
625	Q	88.3	Confident	85.9	Confident	113 Å²	113	95.8 Å²	95.8	53%	0.528	47%	0.474	S	S	.	.	H	α-helix	trans	-59	-38	176.2	-174.7	175	-11.9	0	0	112.6	M621 L622 K623 K726	M621-Q625 PolarHBondContact O-N 3.41Å; L622-Q625 WeakPolarHBondContact O-CB 3.45Å; L622-Q625 PolarHBondContact O-N 2.73Å; K623-Q625 VanDerWaalsContact C-N 3.34Å; Q625-K726 WeakPolarHBondContact O-CE 3.32Å
626	M	88.6	Confident	86.5	Confident	163 Å²	163	91.1 Å²	91.1	80%	0.803	46%	0.458	S	S	*	.	H	α-helix	trans	-80.7	-13.2	178.5	-62.2	-62.9	-176.6	0	0	114.2	L622 K623 L624	L622-M626 PolarHBondContact O-N 3.02Å; K623-M626 PolarHBondContact O-N 2.88Å; L624-M626 VanDerWaalsContact C-N 3.28Å; L624-M626 PolarHBondContact O-N 3.49Å
627	T	86.8	Confident	86.8	Confident	73 Å²	73	88.6 Å²	88.6	45%	0.448	44%	0.444	S	S	.	.	S	Bend	trans	-78.2	132.8	-177.7	-57.1	0	0	0	0	110.1	K623 L624 K726	K623-T627 PolarHBondContact O-N 3.22Å; K623-T627 PolarHBondContact O-OG1 3.01Å; L624-T627 WeakPolarHBondContact O-CB 3.32Å; L624-T627 PolarHBondContact O-N 3.25Å; L624-T627 VanDerWaalsContact O-N 3.16Å; T627-K726 VanDerWaalsContact O-CE 3.3Å; T627-K726 WeakPolarHBondContact O-CE 3.16Å; T627-K726 PolarHBondContact O-NZ 3.22Å
628	Q	83.7	Confident	87.1	Confident	177 Å²	177	86.3 Å²	86.3	83%	0.827	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-68	142.1	178.2	-67.4	-178.9	-17.5	0	0	112.2
629	D	76.1	Confident	87.5	Confident	132 Å²	132	83.5 Å²	83.5	71%	0.706	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-74.2	134	176.9	-64.4	-47.8	0	0	0	110.9	K726	D629-K726 IonicContact OD1-NZ 3.4Å; D629-K726 PolarHBondContact OD1-NZ 3.44Å; D629-K726 IonicContact OD2-NZ 2.75Å; D629-K726 PolarHBondContact OD2-NZ 3.33Å
630	H	80.3	Confident	87.8	Confident	79 Å²	79	78.2 Å²	78.2	37%	0.366	38%	0.383	S	S	.	.			trans	-134.6	138.7	-180	-170	-73	0	0	0	110.4	K632 T633	H630-K632 VanDerWaalsContact C-N 3.3Å; H630-K632 WeakPolarHBondContact ND1-CB 3.26Å; H630-K632 PolarHBondContact ND1-N 3.19Å; H630-K632 PolarHBondContact O-N 3.31Å; H630-T633 HydrophobicContact CB-CG2 4.43Å; H630-T633 PolarHBondContact N-OG1 3.32Å; H630-T633 WeakPolarHBondContact O-CA 3.31Å; H630-T633 PolarHBondContact O-N 3.28Å; H630-T633 PolarHBondContact O-OG1 3.32Å
631	V	76.2	Confident	88	Confident	34 Å²	34	74.5 Å²	74.5	21%	0.206	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-55.1	-43.2	-176.6	-179.6	0	0	0	0	112.4	T633 Y634 P1115 V1116 T1118	V631-T633 PolarHBondContact O-N 3.31Å; V631-T633 VanDerWaalsContact O-N 3.08Å; V631-Y634 WeakPolarHBondContact O-CB 3.39Å; V631-Y634 PolarHBondContact O-N 3.42Å; V631-P1115 WeakPolarHBondContact CG1-O 3.44Å; V631-P1115 HydrophobicContact CG2-CG 4.08Å; V631-P1115 WeakPolarHBondContact CG2-O 3.34Å; V631-V1116 VanDerWaalsContact CG1-C 3.47Å; V631-T1118 HydrophobicContact CB-CG2 4.28Å; V631-T1118 HydrophobicContact CG1-CG2 3.92Å; V631-T1118 HydrophobicContact CG2-CG2 4.2Å
632	K	79.2	Confident	88	Confident	133 Å²	133	72.1 Å²	72.1	58%	0.578	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-58.3	-20.1	174.8	-66.9	176.4	174.1	165.3	0	115.1	H630 Y1120	H630-K632 VanDerWaalsContact C-N 3.3Å; H630-K632 WeakPolarHBondContact ND1-CB 3.26Å; H630-K632 PolarHBondContact ND1-N 3.19Å; H630-K632 PolarHBondContact O-N 3.31Å; K632-Y1120 VanDerWaalsContact CE-CE2 3.44Å
633	T	82.7	Confident	87.8	Confident	88 Å²	88	68.3 Å²	68.3	54%	0.54	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-96.8	-0.2	177.7	60.6	0	0	0	0	113.2	H630 V631 R635	H630-T633 HydrophobicContact CB-CG2 4.43Å; H630-T633 PolarHBondContact N-OG1 3.32Å; H630-T633 WeakPolarHBondContact O-CA 3.31Å; H630-T633 PolarHBondContact O-N 3.28Å; H630-T633 PolarHBondContact O-OG1 3.32Å; V631-T633 PolarHBondContact O-N 3.31Å; V631-T633 VanDerWaalsContact O-N 3.08Å; T633-R635 PolarHBondContact O-N 3.08Å
634	Y	86.3	Confident	87.7	Confident	46 Å²	46	63.5 Å²	63.5	18%	0.18	32%	0.317	C	S	.	.			trans	-54.2	135.5	178.1	-176.2	-90.9	0	0	0	111	V631 N730 L947 L950 V1116	V631-Y634 WeakPolarHBondContact O-CB 3.39Å; V631-Y634 PolarHBondContact O-N 3.42Å; Y634-N730 WeakPolarHBondContact CE2-ND2 3.44Å; Y634-N730 PolarHBondContact OH-ND2 3Å; Y634-L947 HydrophobicContact CE1-CD1 4.26Å; Y634-L950 HydrophobicContact CD1-CD2 3.66Å; Y634-L950 HydrophobicContact CE1-CD2 3.74Å; Y634-V1116 HydrophobicContact CD1-CB 3.8Å; Y634-V1116 HydrophobicContact CD1-CG1 3.93Å; Y634-V1116 HydrophobicContact CD2-CB 4.32Å; Y634-V1116 HydrophobicContact CD2-CG1 3.8Å; Y634-V1116 HydrophobicContact CE1-CB 3.9Å; Y634-V1116 HydrophobicContact CE1-CG1 3.65Å; Y634-V1116 HydrophobicContact CE2-CB 4.4Å; Y634-V1116 HydrophobicContact CE2-CG1 3.5Å; Y634-V1116 HydrophobicContact CG-CB 4.03Å; Y634-V1116 HydrophobicContact CG-CG1 4Å; Y634-V1116 VanDerWaalsContact CZ-CG1 3.42Å
635	R	88.7	Confident	87.6	Confident	119 Å²	119	60.2 Å²	60.2	45%	0.449	30%	0.3	S	S	.	.			trans	-135.5	141.2	175.1	-66.5	-68	-178.2	-93.6	3.6	108.4	T633 M637 N730	T633-R635 PolarHBondContact O-N 3.08Å; R635-M637 PolarHBondContact O-N 2.83Å; R635-N730 PolarHBondContact O-ND2 2.92Å
636	P	91.2	Very high	87.5	Confident	7 Å²	7	57 Å²	57	5%	0.045	29%	0.289	C	S	.	.			trans	-68.6	115	173.9	27.2	-32.1	0	0	0	110	I638 I658 G663 M664 I731 I951 L954	P636-I638 HydrophobicContact CB-CD1 4.25Å; P636-I638 HydrophobicContact CB-CG1 4.21Å; P636-I658 HydrophobicContact CB-CG2 4.45Å; P636-I658 HydrophobicContact CG-CG2 4.35Å; P636-G663 WeakPolarHBondContact O-CA 3.49Å; P636-M664 PolarHBondContact O-N 3.06Å; P636-I731 HydrophobicContact CB-CD1 3.94Å; P636-I951 HydrophobicContact CB-CD1 4.41Å; P636-L954 HydrophobicContact CG-CD1 3.92Å
637	M	93.4	Very high	87.3	Confident	21 Å²	21	57.5 Å²	57.5	10%	0.103	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	96.4	177.3	-58.2	-67.1	-88.1	0	0	107.3	R635 M664 L727 S728 P729 N730 I731	R635-M637 PolarHBondContact O-N 2.83Å; M637-M664 HydrophobicContact CB-CE 4.25Å; M637-M664 HydrophobicContact CE-CB 3.46Å; M637-M664 VanDerWaalsContact CE-CB 3.46Å; M637-M664 HydrophobicContact CE-CE 3.68Å; M637-M664 HydrophobicContact CE-CG 4.28Å; M637-M664 HydrophobicContact CE-SD 3.88Å; M637-M664 HydrophobicContact SD-CB 3.33Å; M637-M664 WeakPolarHBondContact SD-CB 3.44Å; M637-M664 PolarHBondContact SD-N 2.77Å; M637-M664 VanDerWaalsContact SD-N 3.39Å; M637-L727 HydrophobicContact CE-CB 4.02Å; M637-L727 HydrophobicContact CE-CD2 3.66Å; M637-L727 HydrophobicContact CE-CG 4.44Å; M637-S728 VanDerWaalsContact CB-O 3.29Å; M637-S728 WeakPolarHBondContact CB-O 3.19Å; M637-P729 CarbonylContact O-C 3.3Å; M637-P729 WeakPolarHBondContact O-CA 3.23Å; M637-N730 WeakPolarHBondContact CA-OD1 3.45Å; M637-N730 WeakPolarHBondContact CB-OD1 3.39Å; M637-N730 PolarHBondContact N-OD1 3.16Å; M637-N730 PolarHBondContact O-N 2.97Å; M637-N730 PolarHBondContact O-OD1 3.5Å; M637-I731 PolarHBondContact O-N 3.07Å; M637-I731 VanDerWaalsContact O-N 3.09Å
638	I	95.3	Very high	87.3	Confident	1 Å²	1	60 Å²	60	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	124	-162.8	-56.9	178.6	0	0	0	111.2	P636 V655 I658 T659 M664 L665 I666 I731 I733	P636-I638 HydrophobicContact CB-CD1 4.25Å; P636-I638 HydrophobicContact CB-CG1 4.21Å; I638-V655 HydrophobicContact CB-CG1 4.13Å; I638-V655 HydrophobicContact CD1-CG1 3.69Å; I638-V655 HydrophobicContact CG2-CG1 3.69Å; I638-I658 HydrophobicContact CD1-CB 4.21Å; I638-I658 HydrophobicContact CD1-CG2 3.84Å; I638-T659 HydrophobicContact CB-CG2 4.38Å; I638-T659 HydrophobicContact CD1-CG2 3.72Å; I638-T659 HydrophobicContact CG1-CG2 4.05Å; I638-M664 PolarHBondContact N-O 3.13Å; I638-L665 HydrophobicContact CB-CD1 4.39Å; I638-L665 HydrophobicContact CG2-CD1 4.4Å; I638-I666 PolarHBondContact O-N 3.1Å; I638-I731 CarbonylContact C-O 3.6Å; I638-I731 WeakPolarHBondContact CA-O 3.43Å; I638-I731 HydrophobicContact CG1-CB 4.29Å; I638-I731 HydrophobicContact CG1-CD1 4.33Å; I638-I733 HydrophobicContact CD1-CD1 4.03Å; I638-I733 HydrophobicContact CG2-CB 4.19Å; I638-I733 HydrophobicContact CG2-CD1 3.62Å; I638-I733 HydrophobicContact CG2-CG1 3.75Å
639	L	96.3	Very high	87.5	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	107.7	160.4	175	62.5	0	0	0	109	L641 I666 L718 L719 P729 I731 M732 I733	L639-L641 HydrophobicContact CD2-CD2 4.35Å; L639-L641 HydrophobicContact CG-CD2 4.23Å; L639-I666 HydrophobicContact CD1-CB 4.13Å; L639-I666 HydrophobicContact CD1-CG2 3.66Å; L639-L718 HydrophobicContact CD2-CB 4.16Å; L639-L719 HydrophobicContact CD2-CD2 3.95Å; L639-L719 HydrophobicContact CD2-CG 4.38Å; L639-P729 HydrophobicContact CB-CB 3.7Å; L639-P729 HydrophobicContact CB-CG 4.05Å; L639-I731 PolarHBondContact N-O 3.48Å; L639-M732 CarbonylContact O-C 3.51Å; L639-M732 WeakPolarHBondContact O-CA 3.43Å; L639-I733 PolarHBondContact O-N 3.37Å
640	L	96.2	Very high	88	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	112.7	177.1	-176.3	61.9	0	0	0	110.1	T642 M651 V652 V655 L665 I666 C667 G668 I733	L640-T642 HydrophobicContact CB-CG2 4.17Å; L640-T642 HydrophobicContact CD2-CG2 3.26Å; L640-T642 HydrophobicContact CG-CG2 3.36Å; L640-T642 PolarHBondContact O-N 3.21Å; L640-M651 HydrophobicContact CD1-CE 3.92Å; L640-M651 HydrophobicContact CD2-CB 4.44Å; L640-V652 HydrophobicContact CD2-CG2 4.38Å; L640-V655 HydrophobicContact CD1-CG2 3.81Å; L640-V655 HydrophobicContact CD2-CB 4.03Å; L640-V655 HydrophobicContact CD2-CG1 4.48Å; L640-V655 HydrophobicContact CD2-CG2 3.97Å; L640-V655 HydrophobicContact CG-CG2 4.43Å; L640-L665 HydrophobicContact CB-CD1 3.94Å; L640-L665 HydrophobicContact CD2-CD1 4.43Å; L640-I666 PolarHBondContact N-O 3.27Å; L640-C667 WeakPolarHBondContact O-CA 3.34Å; L640-G668 PolarHBondContact O-N 2.87Å; L640-I733 WeakPolarHBondContact CA-O 3.47Å; L640-I733 HydrophobicContact CD1-CB 3.78Å; L640-I733 HydrophobicContact CD1-CG2 3.56Å
641	L	95.3	Very high	88.5	Confident	22 Å²	22	47 Å²	47	12%	0.115	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	74.7	173.4	-58.9	-176.8	0	0	0	109.9	L639 V715 L718 M732 I733 M734 I754	L639-L641 HydrophobicContact CD2-CD2 4.35Å; L639-L641 HydrophobicContact CG-CD2 4.23Å; L641-V715 HydrophobicContact CD1-CG1 3.76Å; L641-V715 HydrophobicContact CD1-CG2 3.92Å; L641-V715 HydrophobicContact CD2-CG1 4.31Å; L641-V715 HydrophobicContact CD2-CG2 4.15Å; L641-L718 HydrophobicContact CD2-CD1 4.2Å; L641-M732 HydrophobicContact CD1-CG 4.14Å; L641-M732 HydrophobicContact CD1-SD 3.86Å; L641-M732 HydrophobicContact CG-CG 4.32Å; L641-I733 PolarHBondContact N-O 2.89Å; L641-M734 HydrophobicContact CB-CB 4.23Å; L641-M734 HydrophobicContact CD1-CB 4.26Å; L641-I754 HydrophobicContact CD1-CG2 3.96Å
642	T	89.8	Confident	89.2	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.214	C	C	.	.			trans	-76.4	-25.7	-177	52.2	0	0	0	0	113.1	L640 R648 V652 C667 G668	L640-T642 HydrophobicContact CB-CG2 4.17Å; L640-T642 HydrophobicContact CD2-CG2 3.26Å; L640-T642 HydrophobicContact CG-CG2 3.36Å; L640-T642 PolarHBondContact O-N 3.21Å; T642-R648 WeakPolarHBondContact O-CD 3.34Å; T642-R648 PolarHBondContact O-NH1 3.48Å; T642-V652 HydrophobicContact CG2-CG2 3.69Å; T642-C667 HydrophobicContact CG2-CB 4.31Å; T642-G668 PolarHBondContact N-O 3.43Å
643	G	88.3	Confident	89.7	Confident	19 Å²	19	39.2 Å²	39.2	20%	0.196	19%	0.187	C	C	.	.	S	Bend	trans	60.2	-136.9	-154.6	0	0	0	0	0	108.6	P645 G668 Q669	G643-P645 WeakPolarHBondContact O-CD 3.18Å; G643-P645 VanDerWaalsContact O-N 3.14Å; G643-G668 PolarHBondContact N-O 3.48Å; G643-Q669 PolarHBondContact O-OE1 2.86Å
644	N	88.8	Confident	90.1	Very high	38 Å²	38	35 Å²	35	20%	0.203	16%	0.161	C	C	.	.	S	Bend	trans	-65.9	111.7	173	-176	-18.4	0	0	0	110.5	C646 K647 R648	N644-C646 PolarHBondContact O-N 2.94Å; N644-C646 VanDerWaalsContact O-N 3.11Å; N644-C646 VanDerWaalsContact OD1-CB 3.28Å; N644-C646 WeakPolarHBondContact OD1-CB 3.36Å; N644-C646 PolarHBondContact OD1-N 3.08Å; N644-K647 HydrophobicContact CB-CB 4.35Å; N644-K647 HydrophobicContact CB-CD 4.35Å; N644-K647 HydrophobicContact CB-CG 4.13Å; N644-K647 PolarHBondContact O-N 3.34Å; N644-R648 PolarHBondContact O-N 3Å
645	P	88.2	Confident	90.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-25.4	-177.5	-22.1	35.2	0	0	0	112.9	G643 K647 R648 K649 V652 C667 I690 W693 Y703	G643-P645 WeakPolarHBondContact O-CD 3.18Å; G643-P645 VanDerWaalsContact O-N 3.14Å; P645-K647 VanDerWaalsContact C-N 3.32Å; P645-R648 CarbonylContact O-C 3.51Å; P645-K649 PolarHBondContact O-N 3.47Å; P645-V652 HydrophobicContact CB-CG2 3.97Å; P645-C667 HydrophobicContact CG-CB 4.31Å; P645-I690 HydrophobicContact CG-CD1 4.37Å; P645-I690 HydrophobicContact CG-CG2 3.91Å; P645-W693 HydrophobicContact CB-CZ3 4.15Å; P645-Y703 HydrophobicContact CG-CD2 4Å; P645-Y703 HydrophobicContact CG-CE2 3.85Å
646	C	86.5	Confident	90.5	Very high	44 Å²	44	28.4 Å²	28.4	30%	0.297	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-23.4	176.1	-58.1	0	0	0	0	113	N644 K649	N644-C646 PolarHBondContact O-N 2.94Å; N644-C646 VanDerWaalsContact O-N 3.11Å; N644-C646 VanDerWaalsContact OD1-CB 3.28Å; N644-C646 WeakPolarHBondContact OD1-CB 3.36Å; N644-C646 PolarHBondContact OD1-N 3.08Å; C646-K649 WeakPolarHBondContact O-CE 3.43Å; C646-K649 VanDerWaalsContact O-CG 3.29Å; C646-K649 WeakPolarHBondContact O-CG 3.45Å
647	K	85.2	Confident	90.5	Very high	174 Å²	174	29.2 Å²	29.2	76%	0.757	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-38.9	174.3	-70.4	-170.7	175.6	-173.5	0	111.3	N644 P645	N644-K647 HydrophobicContact CB-CB 4.35Å; N644-K647 HydrophobicContact CB-CD 4.35Å; N644-K647 HydrophobicContact CB-CG 4.13Å; N644-K647 PolarHBondContact O-N 3.34Å; P645-K647 VanDerWaalsContact C-N 3.32Å
648	R	85.8	Confident	90.4	Very high	127 Å²	127	28.5 Å²	28.5	48%	0.479	14%	0.141	S	C	.	.	S	Bend	trans	-109.2	53	-177.5	-57.7	-167	-176.2	115.9	-8.6	112.7	T642 N644 P645 D650 M651 V652	T642-R648 WeakPolarHBondContact O-CD 3.34Å; T642-R648 PolarHBondContact O-NH1 3.48Å; N644-R648 PolarHBondContact O-N 3Å; P645-R648 CarbonylContact O-C 3.51Å; R648-D650 PolarHBondContact O-N 2.9Å; R648-M651 HydrophobicContact CB-CB 4.44Å; R648-M651 HydrophobicContact CB-CG 4.21Å; R648-M651 HydrophobicContact CB-SD 4Å; R648-M651 VanDerWaalsContact CD-SD 3.58Å; R648-M651 HydrophobicContact CG-SD 4.36Å; R648-M651 PolarHBondContact O-N 3.47Å; R648-V652 PolarHBondContact O-N 2.88Å
649	K	88.2	Confident	90.1	Very high	66 Å²	66	28.6 Å²	28.6	29%	0.287	14%	0.141	S	C	.	.	H	α-helix	trans	-59.2	-36.7	-175	-55.6	177.7	-176.6	168	0	112.6	P645 C646 M651 V652 N653 W693	P645-K649 PolarHBondContact O-N 3.47Å; C646-K649 WeakPolarHBondContact O-CE 3.43Å; C646-K649 VanDerWaalsContact O-CG 3.29Å; C646-K649 WeakPolarHBondContact O-CG 3.45Å; K649-M651 VanDerWaalsContact C-N 3.34Å; K649-M651 PolarHBondContact O-N 2.96Å; K649-V652 PolarHBondContact O-N 3.44Å; K649-N653 PolarHBondContact O-N 2.86Å; K649-W693 HydrophobicContact CD-CZ2 4.15Å; K649-W693 HydrophobicContact CG-CH2 4.19Å; K649-W693 HydrophobicContact CG-CZ2 3.86Å
650	D	85.8	Confident	89.4	Confident	42 Å²	42	31.4 Å²	31.4	23%	0.225	15%	0.152	C	C	.	.	H	α-helix	trans	-64.2	-40.5	-176.8	-63.9	-19.1	0	0	0	111.6	R648 N653 F654 L770 F927	R648-D650 PolarHBondContact O-N 2.9Å; D650-N653 PolarHBondContact O-N 3.01Å; D650-F654 WeakPolarHBondContact O-CB 3.43Å; D650-F654 PolarHBondContact O-N 2.71Å; D650-L770 HydrophobicContact CB-CD1 4.12Å; D650-L770 HydrophobicContact CB-CD2 4.3Å; D650-F927 HydrophobicContact CB-CD2 4.29Å; D650-F927 HydrophobicContact CB-CE2 3.96Å
651	M	90.5	Very high	88.5	Confident	6 Å²	6	34.1 Å²	34.1	3%	0.03	17%	0.171	C	C	.	.	H	α-helix	trans	-63.1	-46.1	173.8	-62.1	-173.4	69.9	0	0	111.7	L640 R648 K649 N653 F654 V655 G735 L768	L640-M651 HydrophobicContact CD1-CE 3.92Å; L640-M651 HydrophobicContact CD2-CB 4.44Å; R648-M651 HydrophobicContact CB-CB 4.44Å; R648-M651 HydrophobicContact CB-CG 4.21Å; R648-M651 HydrophobicContact CB-SD 4Å; R648-M651 VanDerWaalsContact CD-SD 3.58Å; R648-M651 HydrophobicContact CG-SD 4.36Å; R648-M651 PolarHBondContact O-N 3.47Å; K649-M651 VanDerWaalsContact C-N 3.34Å; K649-M651 PolarHBondContact O-N 2.96Å; M651-N653 VanDerWaalsContact C-N 3.32Å; M651-N653 PolarHBondContact O-N 2.92Å; M651-F654 PolarHBondContact O-N 3.42Å; M651-V655 WeakPolarHBondContact O-CG2 3.29Å; M651-V655 PolarHBondContact O-N 3.42Å; M651-G735 VanDerWaalsContact CE-N 3.28Å; M651-L768 HydrophobicContact CB-CD2 4.45Å; M651-L768 HydrophobicContact CE-CB 4.45Å; M651-L768 HydrophobicContact CG-CD2 4.13Å
652	V	91.7	Very high	87.9	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.1	-46.2	179	-177.5	0	0	0	0	110.1	L640 T642 P645 R648 K649 S656 L694 I699	L640-V652 HydrophobicContact CD2-CG2 4.38Å; T642-V652 HydrophobicContact CG2-CG2 3.69Å; P645-V652 HydrophobicContact CB-CG2 3.97Å; R648-V652 PolarHBondContact O-N 2.88Å; K649-V652 PolarHBondContact O-N 3.44Å; V652-S656 VanDerWaalsContact O-CB 3.23Å; V652-S656 WeakPolarHBondContact O-CB 3.3Å; V652-S656 PolarHBondContact O-N 3.34Å; V652-S656 PolarHBondContact O-OG 2.91Å; V652-L694 HydrophobicContact CG1-CD2 4.24Å; V652-I699 HydrophobicContact CG1-CD1 3.93Å; V652-I699 HydrophobicContact CG1-CG2 4.07Å
653	N	90.2	Very high	87.7	Confident	3 Å²	3	39.8 Å²	39.8	2%	0.016	20%	0.201	C	C	.	.	H	α-helix	trans	-64.3	-46.9	179.7	-71.8	-17.7	0	0	0	111.4	K649 D650 M651 V655 S656 N657 F927	K649-N653 PolarHBondContact O-N 2.86Å; D650-N653 PolarHBondContact O-N 3.01Å; M651-N653 VanDerWaalsContact C-N 3.32Å; M651-N653 PolarHBondContact O-N 2.92Å; N653-V655 PolarHBondContact O-N 3.31Å; N653-S656 WeakPolarHBondContact CA-OG 3.2Å; N653-S656 PolarHBondContact O-N 3.12Å; N653-S656 PolarHBondContact O-OG 3.45Å; N653-N657 PolarHBondContact O-N 3.22Å; N653-N657 VanDerWaalsContact O-N 3.17Å; N653-N657 PolarHBondContact O-ND2 3.14Å; N653-N657 VanDerWaalsContact O-ND2 3.15Å; N653-F927 HydrophobicContact CB-CB 3.79Å; N653-F927 HydrophobicContact CB-CD2 4.4Å; N653-F927 HydrophobicContact CB-CG 4.47Å
654	F	90.7	Very high	87.9	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-56.3	-50.3	177.3	176	-99.3	0	0	0	111.8	D650 M651 N657 I658 L768 F927 L955 Y960 L1074 L1105 F1107	D650-F654 WeakPolarHBondContact O-CB 3.43Å; D650-F654 PolarHBondContact O-N 2.71Å; M651-F654 PolarHBondContact O-N 3.42Å; F654-N657 WeakPolarHBondContact O-CB 3.5Å; F654-N657 PolarHBondContact O-N 3.48Å; F654-I658 HydrophobicContact CD1-CD1 4.22Å; F654-I658 HydrophobicContact CE1-CD1 3.76Å; F654-I658 HydrophobicContact CZ-CD1 4.32Å; F654-L768 HydrophobicContact CB-CD2 4.3Å; F654-L768 HydrophobicContact CD1-CD1 4.03Å; F654-L768 HydrophobicContact CD1-CD2 3.7Å; F654-L768 HydrophobicContact CE1-CD1 3.77Å; F654-L768 HydrophobicContact CE1-CD2 4.26Å; F654-L768 HydrophobicContact CG-CD2 4.1Å; F654-L768 HydrophobicContact CZ-CD1 4.1Å; F654-F927 HydrophobicContact CB-CD1 4.36Å; F654-F927 HydrophobicContact CB-CE1 4.39Å; F654-F927 HydrophobicContact CB-CG 4.42Å; F654-F927 HydrophobicContact CB-CZ 4.46Å; F654-F927 HydrophobicContact CD2-CD1 4.18Å; F654-F927 AromaticContact CD2-CE1 3.84Å; F654-F927 HydrophobicContact CD2-CE1 3.84Å; F654-F927 HydrophobicContact CD2-CZ 4.41Å; F654-L955 HydrophobicContact CE2-CD1 4.41Å; F654-L955 HydrophobicContact CZ-CD1 4.4Å; F654-Y960 HydrophobicContact CD2-CE1 4.23Å; F654-Y960 WeakPolarHBondContact CD2-OH 3.49Å; F654-Y960 WeakPolarHBondContact CE2-OH 3.4Å; F654-L1074 HydrophobicContact CE2-CD1 3.94Å; F654-L1074 HydrophobicContact CE2-CD2 4.1Å; F654-L1074 HydrophobicContact CZ-CD1 4.03Å; F654-L1074 HydrophobicContact CZ-CD2 4.29Å; F654-L1105 HydrophobicContact CD2-CD2 4.07Å; F654-L1105 HydrophobicContact CE2-CD2 3.96Å; F654-F1107 HydrophobicContact CE1-CD1 4.26Å; F654-F1107 HydrophobicContact CE1-CG 4.3Å; F654-F1107 HydrophobicContact CZ-CB 4.44Å; F654-F1107 HydrophobicContact CZ-CD1 4.25Å; F654-F1107 HydrophobicContact CZ-CG 4.36Å
655	V	92.5	Very high	88.1	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-71.3	-32.9	-178.6	-179.8	0	0	0	0	112.1	I638 L640 M651 N653 N657 I658 T659 L665 I733	I638-V655 HydrophobicContact CB-CG1 4.13Å; I638-V655 HydrophobicContact CD1-CG1 3.69Å; I638-V655 HydrophobicContact CG2-CG1 3.69Å; L640-V655 HydrophobicContact CD1-CG2 3.81Å; L640-V655 HydrophobicContact CD2-CB 4.03Å; L640-V655 HydrophobicContact CD2-CG1 4.48Å; L640-V655 HydrophobicContact CD2-CG2 3.97Å; L640-V655 HydrophobicContact CG-CG2 4.43Å; M651-V655 WeakPolarHBondContact O-CG2 3.29Å; M651-V655 PolarHBondContact O-N 3.42Å; N653-V655 PolarHBondContact O-N 3.31Å; V655-N657 PolarHBondContact O-N 2.89Å; V655-I658 WeakPolarHBondContact O-CB 3.24Å; V655-I658 PolarHBondContact O-N 3.44Å; V655-T659 PolarHBondContact O-N 3.43Å; V655-T659 VanDerWaalsContact O-N 3.17Å; V655-L665 HydrophobicContact CB-CD1 4.33Å; V655-L665 HydrophobicContact CG1-CD1 3.46Å; V655-L665 VanDerWaalsContact CG1-CD1 3.46Å; V655-L665 HydrophobicContact CG1-CD2 4.34Å; V655-I733 HydrophobicContact CG1-CD1 4.38Å; V655-I733 HydrophobicContact CG2-CD1 4.01Å; V655-I733 HydrophobicContact CG2-CG2 4.34Å
656	S	91.4	Very high	88.5	Confident	26 Å²	26	38 Å²	38	18%	0.182	19%	0.186	C	C	.	.	H	α-helix	trans	-61.4	-30.5	173.8	74.9	0	0	0	0	112.7	V652 N653 I658 R660	V652-S656 VanDerWaalsContact O-CB 3.23Å; V652-S656 WeakPolarHBondContact O-CB 3.3Å; V652-S656 PolarHBondContact O-N 3.34Å; V652-S656 PolarHBondContact O-OG 2.91Å; N653-S656 WeakPolarHBondContact CA-OG 3.2Å; N653-S656 PolarHBondContact O-N 3.12Å; N653-S656 PolarHBondContact O-OG 3.45Å; S656-I658 VanDerWaalsContact C-N 3.3Å; S656-R660 PolarHBondContact O-N 3.03Å
657	N	89.6	Confident	88.9	Confident	25 Å²	25	35.9 Å²	35.9	13%	0.134	17%	0.172	C	C	.	.	H	α-helix	trans	-73.4	-19.6	173.7	-75.7	-50.6	0	0	0	113.5	N653 F654 V655 R660 F927 L955 Y960	N653-N657 PolarHBondContact O-N 3.22Å; N653-N657 VanDerWaalsContact O-N 3.17Å; N653-N657 PolarHBondContact O-ND2 3.14Å; N653-N657 VanDerWaalsContact O-ND2 3.15Å; F654-N657 WeakPolarHBondContact O-CB 3.5Å; F654-N657 PolarHBondContact O-N 3.48Å; V655-N657 PolarHBondContact O-N 2.89Å; N657-R660 WeakPolarHBondContact O-CG 3.3Å; N657-R660 PolarHBondContact O-NE 3.09Å; N657-R660 VanDerWaalsContact O-NE 3.11Å; N657-R660 PolarHBondContact O-NH2 3.12Å; N657-F927 PolarHBondContact ND2-O 3.4Å; N657-L955 HydrophobicContact CB-CD2 4.02Å; N657-Y960 HydrophobicContact CB-CD1 3.99Å; N657-Y960 HydrophobicContact CB-CE1 4.33Å; N657-Y960 VanDerWaalsContact ND2-CD1 3.33Å; N657-Y960 WeakPolarHBondContact ND2-CD1 3.48Å
658	I	91.3	Very high	89.3	Confident	5 Å²	5	27.7 Å²	27.7	3%	0.026	14%	0.137	C	C	.	.	H	α-helix	trans	-78.7	-47.5	173.5	-59.1	174.7	0	0	0	109.8	P636 I638 F654 V655 S656 I951 L955	P636-I658 HydrophobicContact CB-CG2 4.45Å; P636-I658 HydrophobicContact CG-CG2 4.35Å; I638-I658 HydrophobicContact CD1-CB 4.21Å; I638-I658 HydrophobicContact CD1-CG2 3.84Å; F654-I658 HydrophobicContact CD1-CD1 4.22Å; F654-I658 HydrophobicContact CE1-CD1 3.76Å; F654-I658 HydrophobicContact CZ-CD1 4.32Å; V655-I658 WeakPolarHBondContact O-CB 3.24Å; V655-I658 PolarHBondContact O-N 3.44Å; S656-I658 VanDerWaalsContact C-N 3.3Å; I658-I951 HydrophobicContact CD1-CG2 4.04Å; I658-I951 HydrophobicContact CG1-CG2 4.35Å; I658-I951 HydrophobicContact CG2-CD1 3.7Å; I658-I951 HydrophobicContact CG2-CG2 4.35Å; I658-L955 HydrophobicContact CG1-CD1 4.29Å; I658-L955 HydrophobicContact CG1-CD2 3.88Å; I658-L955 HydrophobicContact CG1-CG 4.19Å
659	T	90.1	Very high	89.7	Confident	4 Å²	4	22.4 Å²	22.4	3%	0.025	12%	0.118	C	C	.	.	H	α-helix	trans	-81.6	-34	-173.5	60.5	0	0	0	0	113.8	I638 V655 S661 Q662 G663 L665	I638-T659 HydrophobicContact CB-CG2 4.38Å; I638-T659 HydrophobicContact CD1-CG2 3.72Å; I638-T659 HydrophobicContact CG1-CG2 4.05Å; V655-T659 PolarHBondContact O-N 3.43Å; V655-T659 VanDerWaalsContact O-N 3.17Å; T659-S661 PolarHBondContact O-N 3.37Å; T659-Q662 PolarHBondContact O-N 2.86Å; T659-G663 PolarHBondContact O-N 3.49Å; T659-L665 HydrophobicContact CG2-CB 4.18Å
660	R	81.4	Confident	89.9	Confident	58 Å²	58	20.4 Å²	20.4	22%	0.219	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	28.8	176.1	-63	-177.1	-179.6	-82.1	-34.5	116.4	S656 N657 Q662 E958 G959	S656-R660 PolarHBondContact O-N 3.03Å; N657-R660 WeakPolarHBondContact O-CG 3.3Å; N657-R660 PolarHBondContact O-NE 3.09Å; N657-R660 VanDerWaalsContact O-NE 3.11Å; N657-R660 PolarHBondContact O-NH2 3.12Å; R660-Q662 PolarHBondContact O-N 2.98Å; R660-Q662 VanDerWaalsContact O-N 3.16Å; R660-E958 VanDerWaalsContact CZ-CB 3.43Å; R660-E958 PolarHBondContact NH1-O 2.87Å; R660-E958 IonicContact NH1-OE2 3.5Å; R660-E958 PolarHBondContact NH2-O 3.13Å; R660-G959 VanDerWaalsContact NH1-CA 3.27Å
661	S	77	Confident	90.1	Very high	57 Å²	57	20.5 Å²	20.5	40%	0.399	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	65	5	-172.6	-35.8	0	0	0	0	115.8	T659 R700	T659-S661 PolarHBondContact O-N 3.37Å; S661-R700 VanDerWaalsContact CB-NH1 3.27Å; S661-R700 WeakPolarHBondContact OG-CD 3.48Å; S661-R700 PolarHBondContact OG-NE 3.21Å; S661-R700 PolarHBondContact OG-NH1 2.78Å
662	Q	82.6	Confident	90.1	Very high	127 Å²	127	26.2 Å²	26.2	59%	0.593	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-29.3	170.5	-62.8	-170.3	2.6	0	0	111.5	T659 R660	T659-Q662 PolarHBondContact O-N 2.86Å; R660-Q662 PolarHBondContact O-N 2.98Å; R660-Q662 VanDerWaalsContact O-N 3.16Å
663	G	86	Confident	89.8	Confident	15 Å²	15	28 Å²	28	16%	0.155	15%	0.153	C	C	.	.	S	Bend	trans	-101.8	-178.2	164.5	0	0	0	0	0	111.9	P636 T659	P636-G663 WeakPolarHBondContact O-CA 3.49Å; T659-G663 PolarHBondContact O-N 3.49Å
664	M	91.8	Very high	89.5	Confident	17 Å²	17	31.8 Å²	31.8	8%	0.084	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	136.3	176.4	-175.6	179.8	66.7	0	0	110.3	P636 M637 I638 I666 F702 L727	P636-M664 PolarHBondContact O-N 3.06Å; M637-M664 HydrophobicContact CB-CE 4.25Å; M637-M664 HydrophobicContact CE-CB 3.46Å; M637-M664 VanDerWaalsContact CE-CB 3.46Å; M637-M664 HydrophobicContact CE-CE 3.68Å; M637-M664 HydrophobicContact CE-CG 4.28Å; M637-M664 HydrophobicContact CE-SD 3.88Å; M637-M664 HydrophobicContact SD-CB 3.33Å; M637-M664 WeakPolarHBondContact SD-CB 3.44Å; M637-M664 PolarHBondContact SD-N 2.77Å; M637-M664 VanDerWaalsContact SD-N 3.39Å; I638-M664 PolarHBondContact N-O 3.13Å; M664-I666 HydrophobicContact CE-CD1 3.44Å; M664-I666 VanDerWaalsContact CE-CD1 3.44Å; M664-I666 HydrophobicContact CE-CG1 3.94Å; M664-I666 HydrophobicContact CG-CG1 4.16Å; M664-I666 HydrophobicContact SD-CD1 3.98Å; M664-I666 HydrophobicContact SD-CG1 4.14Å; M664-F702 HydrophobicContact CG-CD2 3.92Å; M664-F702 HydrophobicContact CG-CE2 3.96Å; M664-F702 HydrophobicContact SD-CD2 4.27Å; M664-F702 HydrophobicContact SD-CE2 4.22Å; M664-L727 WeakPolarHBondContact CE-O 3.08Å; M664-L727 HydrophobicContact SD-CB 4.28Å
665	L	94.6	Very high	89.3	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	123	170.4	177	53.1	0	0	0	109.4	I638 L640 V655 T659 I699 A701 F702	I638-L665 HydrophobicContact CB-CD1 4.39Å; I638-L665 HydrophobicContact CG2-CD1 4.4Å; L640-L665 HydrophobicContact CB-CD1 3.94Å; L640-L665 HydrophobicContact CD2-CD1 4.43Å; V655-L665 HydrophobicContact CB-CD1 4.33Å; V655-L665 HydrophobicContact CG1-CD1 3.46Å; V655-L665 VanDerWaalsContact CG1-CD1 3.46Å; V655-L665 HydrophobicContact CG1-CD2 4.34Å; T659-L665 HydrophobicContact CG2-CB 4.18Å; L665-I699 HydrophobicContact CD2-CG2 4.48Å; L665-A701 HydrophobicContact CB-CB 4Å; L665-A701 HydrophobicContact CD2-CB 3.89Å; L665-A701 HydrophobicContact CG-CB 3.7Å; L665-A701 CarbonylContact O-C 3.56Å; L665-A701 VanDerWaalsContact O-CA 3.23Å; L665-A701 WeakPolarHBondContact O-CA 3.41Å; L665-F702 PolarHBondContact O-N 3.34Å
666	I	95	Very high	89	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	121.7	172.8	-62.4	179.1	0	0	0	108.4	I638 L639 L640 M664 F702 Y704 C722	I638-I666 PolarHBondContact O-N 3.1Å; L639-I666 HydrophobicContact CD1-CB 4.13Å; L639-I666 HydrophobicContact CD1-CG2 3.66Å; L640-I666 PolarHBondContact N-O 3.27Å; M664-I666 HydrophobicContact CE-CD1 3.44Å; M664-I666 VanDerWaalsContact CE-CD1 3.44Å; M664-I666 HydrophobicContact CE-CG1 3.94Å; M664-I666 HydrophobicContact CG-CG1 4.16Å; M664-I666 HydrophobicContact SD-CD1 3.98Å; M664-I666 HydrophobicContact SD-CG1 4.14Å; I666-F702 CarbonylContact C-O 3.6Å; I666-F702 WeakPolarHBondContact CA-O 3.48Å; I666-F702 HydrophobicContact CG1-CB 4.3Å; I666-F702 HydrophobicContact CG1-CD2 4.48Å; I666-Y704 HydrophobicContact CD1-CE2 4.38Å; I666-Y704 HydrophobicContact CG1-CE2 4.5Å; I666-Y704 HydrophobicContact CG2-CD2 3.49Å; I666-Y704 VanDerWaalsContact CG2-CD2 3.49Å; I666-Y704 HydrophobicContact CG2-CE2 3.99Å; I666-Y704 HydrophobicContact CG2-CG 4.35Å; I666-C722 HydrophobicContact CD1-CB 4.17Å
667	C	95.1	Very high	88.7	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	110.2	170	-62.8	0	0	0	0	109.5	L640 T642 P645 F702 Y703 Y704	L640-C667 WeakPolarHBondContact O-CA 3.34Å; T642-C667 HydrophobicContact CG2-CB 4.31Å; P645-C667 HydrophobicContact CG-CB 4.31Å; C667-F702 PolarHBondContact N-O 3.39Å; C667-Y703 HydrophobicContact CB-CD2 4.1Å; C667-Y704 PolarHBondContact O-N 3.05Å
668	G	93.7	Very high	88.6	Confident	2 Å²	2	53 Å²	53	2%	0.021	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	130.6	177.8	0	0	0	0	0	112.4	L640 T642 G643 Y704	L640-G668 PolarHBondContact O-N 2.87Å; T642-G668 PolarHBondContact N-O 3.43Å; G643-G668 PolarHBondContact N-O 3.48Å; G668-Y704 CarbonylContact C-O 3.57Å; G668-Y704 WeakPolarHBondContact CA-O 3.26Å
669	Q	93.8	Very high	88.4	Confident	16 Å²	16	54.3 Å²	54.3	8%	0.075	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	123.2	172.2	178.9	170.4	-12.1	0	0	110.4	G643 L671 Y703 Y704 S705 Y706	G643-Q669 PolarHBondContact O-OE1 2.86Å; Q669-L671 HydrophobicContact CG-CD2 4.37Å; Q669-L671 HydrophobicContact CG-CG 4.44Å; Q669-Y703 HydrophobicContact CB-CE2 4.06Å; Q669-Y703 PolarHBondContact OE1-OH 2.96Å; Q669-Y704 PolarHBondContact N-O 3.15Å; Q669-S705 CarbonylContact O-C 3.6Å; Q669-S705 VanDerWaalsContact O-CA 3.26Å; Q669-S705 WeakPolarHBondContact O-CA 3.44Å; Q669-Y706 PolarHBondContact O-N 3.32Å
670	V	93.1	Very high	88.3	Confident	24 Å²	24	57 Å²	57	15%	0.145	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	128.3	168.5	-175.9	0	0	0	0	108.7	Y706 A708 L711 V715 L718	V670-Y706 CarbonylContact C-O 3.6Å; V670-Y706 WeakPolarHBondContact CA-O 3.32Å; V670-A708 HydrophobicContact CG1-CB 4.06Å; V670-L711 HydrophobicContact CB-CD1 3.72Å; V670-L711 HydrophobicContact CG1-CD1 4.25Å; V670-L711 HydrophobicContact CG2-CD1 3.99Å; V670-V715 HydrophobicContact CG2-CG2 3.96Å; V670-L718 HydrophobicContact CG2-CD1 3.89Å
671	L	90.8	Very high	88.6	Confident	44 Å²	44	59.8 Å²	59.8	23%	0.23	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	122.8	173.6	-68.7	172.6	0	0	0	108.1	Q669 A673 R683 S705 Y706 L707 A708	Q669-L671 HydrophobicContact CG-CD2 4.37Å; Q669-L671 HydrophobicContact CG-CG 4.44Å; L671-A673 PolarHBondContact O-N 3.48Å; L671-R683 HydrophobicContact CD1-CB 4.35Å; L671-R683 HydrophobicContact CD1-CG 4.2Å; L671-S705 VanDerWaalsContact CD1-OG 3.26Å; L671-S705 WeakPolarHBondContact CD1-OG 3.49Å; L671-Y706 PolarHBondContact N-O 3Å; L671-L707 HydrophobicContact CB-CD1 3.97Å; L671-L707 WeakPolarHBondContact O-CA 3.43Å; L671-A708 PolarHBondContact O-N 3.12Å; L671-A708 VanDerWaalsContact O-N 3.13Å
672	Q	89.3	Confident	89	Confident	126 Å²	126	59.8 Å²	59.8	59%	0.589	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	96.6	171.8	-66	174	5.1	0	0	108.1	A708	Q672-A708 WeakPolarHBondContact CA-O 3.42Å
673	A	86	Confident	89.4	Confident	39 Å²	39	57.3 Å²	57.3	32%	0.322	31%	0.314	S	S	.	.			trans	-157.4	154.8	177.6	0	0	0	0	0	110.3	L671 T679 L707	L671-A673 PolarHBondContact O-N 3.48Å; A673-T679 HydrophobicContact CB-CG2 3.76Å; A673-L707 HydrophobicContact CB-CD1 3.82Å; A673-L707 WeakPolarHBondContact O-CD1 3.35Å; A673-L707 WeakPolarHBondContact O-CG 3.27Å
674	P	84.9	Confident	89.4	Confident	82 Å²	82	63.2 Å²	63.2	53%	0.532	33%	0.333	S	S	.	.			trans	-64	150.9	177.2	26.9	-35	0	0	0	111.9	D676 T679	P674-D676 VanDerWaalsContact C-N 3.25Å; P674-D676 WeakPolarHBondContact CG-OD2 3.4Å; P674-D676 PolarHBondContact O-N 3.02Å; P674-T679 WeakPolarHBondContact O-CB 3.5Å; P674-T679 PolarHBondContact O-OG1 3.27Å
675	L	85.3	Confident	89.2	Confident	134 Å²	134	66 Å²	66	70%	0.702	35%	0.346	S	S	*	.			trans	-77.9	74.2	178.5	-173.6	69.2	0	0	0	110.6	L680 L707	L675-L680 HydrophobicContact CD1-CD1 4.17Å; L675-L680 HydrophobicContact CD1-CD2 3.91Å; L675-L680 HydrophobicContact CD1-CG 4.23Å; L675-L707 HydrophobicContact CB-CD2 4.18Å; L675-L707 HydrophobicContact CD1-CD2 3.69Å
676	D	86.2	Confident	89	Confident	84 Å²	84	69.2 Å²	69.2	45%	0.449	36%	0.36	S	S	.	.			trans	-111.6	150.3	177.5	-53.7	-28.5	0	0	0	110.9	P674 N678 T679 L680	P674-D676 VanDerWaalsContact C-N 3.25Å; P674-D676 WeakPolarHBondContact CG-OD2 3.4Å; P674-D676 PolarHBondContact O-N 3.02Å; D676-N678 PolarHBondContact O-N 3.33Å; D676-T679 WeakPolarHBondContact O-CA 3.39Å; D676-T679 WeakPolarHBondContact O-CB 3.27Å; D676-T679 PolarHBondContact O-N 3.44Å; D676-L680 PolarHBondContact O-N 3Å
677	D	85.8	Confident	88.8	Confident	138 Å²	138	70.2 Å²	70.2	74%	0.738	37%	0.367	S	S	*	.	H	α-helix	trans	-55.1	-37.6	178.7	-79.6	-15.5	0	0	0	112.7	L680 H681	D677-L680 PolarHBondContact O-N 2.97Å; D677-H681 WeakPolarHBondContact O-CB 3.19Å; D677-H681 PolarHBondContact O-N 3.29Å
678	N	87.1	Confident	88.5	Confident	140 Å²	140	76.3 Å²	76.3	75%	0.749	39%	0.39	S	S	*	.	H	α-helix	trans	-63.4	-43.1	176.2	-69.8	-27	0	0	0	111.6	D676 H681 A682	D676-N678 PolarHBondContact O-N 3.33Å; N678-H681 PolarHBondContact O-N 2.93Å; N678-A682 VanDerWaalsContact O-CB 3.31Å; N678-A682 WeakPolarHBondContact O-CB 3.28Å; N678-A682 PolarHBondContact O-N 3.27Å
679	T	87.6	Confident	88.3	Confident	32 Å²	32	82.2 Å²	82.2	20%	0.196	42%	0.415	C	S	.	.	H	α-helix	trans	-66.5	-41.4	177.7	-55.9	0	0	0	0	110.9	A673 P674 D676 A682 R683 L707	A673-T679 HydrophobicContact CB-CG2 3.76Å; P674-T679 WeakPolarHBondContact O-CB 3.5Å; P674-T679 PolarHBondContact O-OG1 3.27Å; D676-T679 WeakPolarHBondContact O-CA 3.39Å; D676-T679 WeakPolarHBondContact O-CB 3.27Å; D676-T679 PolarHBondContact O-N 3.44Å; T679-A682 PolarHBondContact O-N 2.95Å; T679-R683 VanDerWaalsContact O-CB 3.27Å; T679-R683 WeakPolarHBondContact O-CB 3.45Å; T679-R683 PolarHBondContact O-N 3.45Å; T679-L707 HydrophobicContact CG2-CD1 3.89Å; T679-L707 HydrophobicContact CG2-CD2 4.35Å
680	L	87.1	Confident	88.2	Confident	62 Å²	62	81.6 Å²	81.6	33%	0.325	41%	0.412	S	S	.	.	H	α-helix	trans	-63.9	-44.2	175.7	-70.2	176.6	0	0	0	112	L675 D676 D677 R683 Y684	L675-L680 HydrophobicContact CD1-CD1 4.17Å; L675-L680 HydrophobicContact CD1-CD2 3.91Å; L675-L680 HydrophobicContact CD1-CG 4.23Å; D676-L680 PolarHBondContact O-N 3Å; D677-L680 PolarHBondContact O-N 2.97Å; L680-R683 PolarHBondContact O-N 3.33Å; L680-Y684 PolarHBondContact O-N 2.87Å
681	H	87.8	Confident	88.1	Confident	116 Å²	116	84.9 Å²	84.9	54%	0.537	43%	0.428	S	S	.	.	H	α-helix	trans	-63.7	-45	176.1	-168.9	82.7	0	0	0	111.5	D677 N678 R683 Y684 Q685	D677-H681 WeakPolarHBondContact O-CB 3.19Å; D677-H681 PolarHBondContact O-N 3.29Å; N678-H681 PolarHBondContact O-N 2.93Å; H681-R683 PolarHBondContact O-N 2.98Å; H681-Y684 PolarHBondContact O-N 3.27Å; H681-Q685 PolarHBondContact NE2-NE2 3.45Å; H681-Q685 VanDerWaalsContact NE2-NE2 3.18Å; H681-Q685 WeakPolarHBondContact O-CG 3.06Å; H681-Q685 PolarHBondContact O-N 2.93Å
682	A	86.2	Confident	88.1	Confident	56 Å²	56	89.7 Å²	89.7	46%	0.463	44%	0.443	S	S	.	.	H	α-helix	trans	-61.3	-44	176.7	0	0	0	0	0	111.9	N678 T679 Y684 Q685 F686	N678-A682 VanDerWaalsContact O-CB 3.31Å; N678-A682 WeakPolarHBondContact O-CB 3.28Å; N678-A682 PolarHBondContact O-N 3.27Å; T679-A682 PolarHBondContact O-N 2.95Å; A682-Y684 PolarHBondContact O-N 3.01Å; A682-Q685 PolarHBondContact O-N 3.14Å; A682-F686 VanDerWaalsContact O-CB 3.24Å; A682-F686 WeakPolarHBondContact O-CB 3.3Å; A682-F686 PolarHBondContact O-N 3.18Å
683	R	89.5	Confident	88.2	Confident	76 Å²	76	85.5 Å²	85.5	29%	0.287	42%	0.422	S	S	.	.	H	α-helix	trans	-58.2	-45.3	174.3	172.9	179.1	164.3	-143.7	-3.9	111.6	L671 T679 L680 H681 F686 S687 S705	L671-R683 HydrophobicContact CD1-CB 4.35Å; L671-R683 HydrophobicContact CD1-CG 4.2Å; T679-R683 VanDerWaalsContact O-CB 3.27Å; T679-R683 WeakPolarHBondContact O-CB 3.45Å; T679-R683 PolarHBondContact O-N 3.45Å; L680-R683 PolarHBondContact O-N 3.33Å; H681-R683 PolarHBondContact O-N 2.98Å; R683-F686 PolarHBondContact O-N 3.27Å; R683-S687 WeakPolarHBondContact O-CB 3.34Å; R683-S687 PolarHBondContact O-N 3.17Å; R683-S687 PolarHBondContact O-OG 3.12Å; R683-S705 PolarHBondContact NE-O 3.41Å; R683-S705 PolarHBondContact NH2-O 3.49Å
684	Y	87.6	Confident	88.4	Confident	138 Å²	138	83.8 Å²	83.8	54%	0.541	41%	0.407	S	S	.	.	H	α-helix	trans	-62.5	-49	178.5	178.5	-99	0	0	0	111.9	L680 H681 A682 F686 S687 R688	L680-Y684 PolarHBondContact O-N 2.87Å; H681-Y684 PolarHBondContact O-N 3.27Å; A682-Y684 PolarHBondContact O-N 3.01Å; Y684-F686 VanDerWaalsContact C-N 3.34Å; Y684-F686 PolarHBondContact O-N 3.44Å; Y684-S687 PolarHBondContact O-N 3.28Å; Y684-R688 HydrophobicContact CE1-CG 4.38Å; Y684-R688 PolarHBondContact O-N 3.05Å; Y684-R688 VanDerWaalsContact O-N 3.13Å
685	Q	88	Confident	88.6	Confident	76 Å²	76	87.7 Å²	87.7	36%	0.355	42%	0.416	S	S	.	.	H	α-helix	trans	-61.2	-43	178	-67.5	-70.7	1.2	0	0	111.9	H681 A682 R688 K689	H681-Q685 PolarHBondContact NE2-NE2 3.45Å; H681-Q685 VanDerWaalsContact NE2-NE2 3.18Å; H681-Q685 WeakPolarHBondContact O-CG 3.06Å; H681-Q685 PolarHBondContact O-N 2.93Å; A682-Q685 PolarHBondContact O-N 3.14Å; Q685-R688 PolarHBondContact O-N 3.32Å; Q685-K689 WeakPolarHBondContact O-CG 3.32Å; Q685-K689 PolarHBondContact O-N 3.34Å
686	F	89	Confident	88.8	Confident	68 Å²	68	88.2 Å²	88.2	30%	0.298	41%	0.412	S	S	.	.	H	α-helix	trans	-64.8	-42.3	178.1	-174.2	-106.8	0	0	0	112.3	A682 R683 Y684 R688 K689 I690	A682-F686 VanDerWaalsContact O-CB 3.24Å; A682-F686 WeakPolarHBondContact O-CB 3.3Å; A682-F686 PolarHBondContact O-N 3.18Å; R683-F686 PolarHBondContact O-N 3.27Å; Y684-F686 VanDerWaalsContact C-N 3.34Å; Y684-F686 PolarHBondContact O-N 3.44Å; F686-R688 VanDerWaalsContact C-N 3.34Å; F686-R688 PolarHBondContact O-N 3.01Å; F686-K689 WeakPolarHBondContact O-CB 3.27Å; F686-K689 PolarHBondContact O-N 3.34Å; F686-K689 VanDerWaalsContact O-N 3.12Å; F686-I690 HydrophobicContact CD1-CD1 3.69Å; F686-I690 HydrophobicContact CE1-CD1 3.12Å; F686-I690 HydrophobicContact CE1-CG1 4.15Å; F686-I690 HydrophobicContact CE2-CD1 4.38Å; F686-I690 HydrophobicContact CZ-CD1 3.52Å; F686-I690 HydrophobicContact CZ-CG1 4.22Å; F686-I690 PolarHBondContact O-N 3.47Å
687	S	90.6	Very high	88.8	Confident	21 Å²	21	87.2 Å²	87.2	15%	0.147	40%	0.403	C	S	.	.	H	α-helix	trans	-59.6	-43.1	176.7	-59.2	0	0	0	0	111.8	R683 Y684 K689 I690 I691	R683-S687 WeakPolarHBondContact O-CB 3.34Å; R683-S687 PolarHBondContact O-N 3.17Å; R683-S687 PolarHBondContact O-OG 3.12Å; Y684-S687 PolarHBondContact O-N 3.28Å; S687-K689 VanDerWaalsContact C-N 3.35Å; S687-K689 PolarHBondContact O-N 2.92Å; S687-I690 PolarHBondContact O-N 3.34Å; S687-I691 WeakPolarHBondContact O-CG1 3.23Å; S687-I691 PolarHBondContact O-N 3.29Å
688	R	89.1	Confident	88.8	Confident	128 Å²	128	88.7 Å²	88.7	48%	0.483	40%	0.404	S	S	.	.	H	α-helix	trans	-60.2	-42.4	174.2	-71.3	-174.7	65.8	-176.5	-0.8	112.3	Y684 Q685 F686 I690 I691 W692	Y684-R688 HydrophobicContact CE1-CG 4.38Å; Y684-R688 PolarHBondContact O-N 3.05Å; Y684-R688 VanDerWaalsContact O-N 3.13Å; Q685-R688 PolarHBondContact O-N 3.32Å; F686-R688 VanDerWaalsContact C-N 3.34Å; F686-R688 PolarHBondContact O-N 3.01Å; R688-I690 PolarHBondContact O-N 3.16Å; R688-I691 PolarHBondContact O-N 3.27Å; R688-W692 PolarHBondContact O-N 3.12Å
689	K	89.4	Confident	88.9	Confident	127 Å²	127	82.7 Å²	82.7	55%	0.552	37%	0.372	S	S	*	.	H	α-helix	trans	-61.8	-40.8	177	-70.7	177.4	-179.1	-179.8	0	111.9	Q685 F686 S687 W692 W693	Q685-K689 WeakPolarHBondContact O-CG 3.32Å; Q685-K689 PolarHBondContact O-N 3.34Å; F686-K689 WeakPolarHBondContact O-CB 3.27Å; F686-K689 PolarHBondContact O-N 3.34Å; F686-K689 VanDerWaalsContact O-N 3.12Å; S687-K689 VanDerWaalsContact C-N 3.35Å; S687-K689 PolarHBondContact O-N 2.92Å; K689-W692 PolarHBondContact O-N 2.95Å; K689-W693 PolarHBondContact O-N 3.11Å
690	I	92.1	Very high	89	Confident	3 Å²	3	90.1 Å²	90.1	2%	0.015	40%	0.397	C	S	.	.	H	α-helix	trans	-68.8	-44	177.5	-72.5	172.5	0	0	0	111.9	P645 F686 S687 R688 W692 W693 L694 Y703	P645-I690 HydrophobicContact CG-CD1 4.37Å; P645-I690 HydrophobicContact CG-CG2 3.91Å; F686-I690 HydrophobicContact CD1-CD1 3.69Å; F686-I690 HydrophobicContact CE1-CD1 3.12Å; F686-I690 HydrophobicContact CE1-CG1 4.15Å; F686-I690 HydrophobicContact CE2-CD1 4.38Å; F686-I690 HydrophobicContact CZ-CD1 3.52Å; F686-I690 HydrophobicContact CZ-CG1 4.22Å; F686-I690 PolarHBondContact O-N 3.47Å; S687-I690 PolarHBondContact O-N 3.34Å; R688-I690 PolarHBondContact O-N 3.16Å; I690-W692 PolarHBondContact O-N 3.25Å; I690-W693 WeakPolarHBondContact O-CA 3.3Å; I690-W693 WeakPolarHBondContact O-CB 3.45Å; I690-W693 PolarHBondContact O-N 3.29Å; I690-L694 HydrophobicContact CG2-CD1 4.22Å; I690-L694 HydrophobicContact CG2-CG 4.44Å; I690-L694 PolarHBondContact O-N 2.87Å; I690-Y703 HydrophobicContact CB-CD1 4.29Å; I690-Y703 HydrophobicContact CB-CD2 4.49Å; I690-Y703 HydrophobicContact CB-CE1 4.32Å; I690-Y703 HydrophobicContact CB-CG 4.37Å; I690-Y703 HydrophobicContact CD1-CD2 4.42Å; I690-Y703 HydrophobicContact CD1-CE1 3.94Å; I690-Y703 HydrophobicContact CD1-CE2 3.65Å; I690-Y703 VanDerWaalsContact CD1-OH 3.28Å; I690-Y703 WeakPolarHBondContact CD1-OH 3.42Å; I690-Y703 HydrophobicContact CG2-CD1 4.12Å; I690-Y703 HydrophobicContact CG2-CD2 3.6Å; I690-Y703 HydrophobicContact CG2-CE1 4.41Å; I690-Y703 HydrophobicContact CG2-CE2 3.92Å; I690-Y703 HydrophobicContact CG2-CG 3.7Å
691	I	91.1	Very high	89.2	Confident	93 Å²	93	88.2 Å²	88.2	48%	0.477	39%	0.39	S	S	.	.	H	α-helix	trans	-58.7	-41.4	176.6	-68.2	166	0	0	0	110.1	S687 R688 L694 K695	S687-I691 WeakPolarHBondContact O-CG1 3.23Å; S687-I691 PolarHBondContact O-N 3.29Å; R688-I691 PolarHBondContact O-N 3.27Å; I691-L694 PolarHBondContact O-N 2.93Å; I691-K695 WeakPolarHBondContact O-CB 3.45Å; I691-K695 PolarHBondContact O-N 3.31Å
692	W	90.3	Very high	89.4	Confident	144 Å²	144	88.4 Å²	88.4	55%	0.545	39%	0.389	S	S	.	.	H	α-helix	trans	-64.1	-40.5	174.1	-173.8	88.3	0	0	0	112.6	R688 K689 I690 K695 K696	R688-W692 PolarHBondContact O-N 3.12Å; K689-W692 PolarHBondContact O-N 2.95Å; I690-W692 PolarHBondContact O-N 3.25Å; W692-K695 PolarHBondContact O-N 3.41Å; W692-K696 HydrophobicContact CH2-CD 3.69Å; W692-K696 HydrophobicContact CZ2-CD 4.3Å; W692-K696 HydrophobicContact CZ3-CD 3.83Å; W692-K696 WeakPolarHBondContact O-CB 3.33Å; W692-K696 PolarHBondContact O-N 3.4Å
693	W	91.7	Very high	89.8	Confident	38 Å²	38	86.8 Å²	86.8	14%	0.144	37%	0.371	C	S	.	.	H	α-helix	trans	-61.6	-42.1	174.9	179.3	93.3	0	0	0	112.6	P645 K649 K689 I690 K696 R697	P645-W693 HydrophobicContact CB-CZ3 4.15Å; K649-W693 HydrophobicContact CD-CZ2 4.15Å; K649-W693 HydrophobicContact CG-CH2 4.19Å; K649-W693 HydrophobicContact CG-CZ2 3.86Å; K689-W693 PolarHBondContact O-N 3.11Å; I690-W693 WeakPolarHBondContact O-CA 3.3Å; I690-W693 WeakPolarHBondContact O-CB 3.45Å; I690-W693 PolarHBondContact O-N 3.29Å; W693-K696 PolarHBondContact O-N 2.94Å; W693-R697 VanDerWaalsContact CZ2-CD 3.44Å; W693-R697 VanDerWaalsContact CZ2-NE 3.26Å; W693-R697 VanDerWaalsContact CZ2-NH1 3.28Å; W693-R697 PolarHBondContact O-N 3.3Å
694	L	90.9	Very high	90	Very high	4 Å²	4	87.1 Å²	87.1	2%	0.021	37%	0.373	C	S	.	.	H	α-helix	trans	-62.4	-46.7	174.2	-72.2	169.9	0	0	0	111.1	V652 I690 I691 K696 R697 H698 I699 A701	V652-L694 HydrophobicContact CG1-CD2 4.24Å; I690-L694 HydrophobicContact CG2-CD1 4.22Å; I690-L694 HydrophobicContact CG2-CG 4.44Å; I690-L694 PolarHBondContact O-N 2.87Å; I691-L694 PolarHBondContact O-N 2.93Å; L694-K696 PolarHBondContact O-N 3.02Å; L694-R697 CarbonylContact O-C 3.57Å; L694-R697 PolarHBondContact O-N 3.26Å; L694-H698 PolarHBondContact O-N 3.46Å; L694-I699 HydrophobicContact CD2-CB 4.04Å; L694-I699 HydrophobicContact CD2-CD1 4.46Å; L694-I699 HydrophobicContact CD2-CG2 3.88Å; L694-I699 PolarHBondContact O-N 3.37Å; L694-A701 HydrophobicContact CD1-CB 4.22Å; L694-A701 HydrophobicContact CD2-CB 4.35Å
695	K	88.9	Confident	90.1	Very high	164 Å²	164	81 Å²	81	71%	0.713	35%	0.351	S	S	*	.	H	α-helix	trans	-60.2	-44.5	177.2	-173.2	178.4	-179.5	179.8	0	112.1	I691 W692 R697 H698	I691-K695 WeakPolarHBondContact O-CB 3.45Å; I691-K695 PolarHBondContact O-N 3.31Å; W692-K695 PolarHBondContact O-N 3.41Å; K695-R697 PolarHBondContact O-N 2.86Å; K695-H698 PolarHBondContact O-N 3.21Å; K695-H698 VanDerWaalsContact O-N 3.09Å
696	K	88.4	Confident	90.2	Very high	144 Å²	144	81.2 Å²	81.2	63%	0.626	35%	0.349	S	S	*	.	H	α-helix	trans	-61.8	-30	177.9	-175.4	174.6	-178.9	177.5	0	112.6	W692 W693 L694	W692-K696 HydrophobicContact CH2-CD 3.69Å; W692-K696 HydrophobicContact CZ2-CD 4.3Å; W692-K696 HydrophobicContact CZ3-CD 3.83Å; W692-K696 WeakPolarHBondContact O-CB 3.33Å; W692-K696 PolarHBondContact O-N 3.4Å; W693-K696 PolarHBondContact O-N 2.94Å; L694-K696 PolarHBondContact O-N 3.02Å
697	R	86.4	Confident	90.3	Very high	64 Å²	64	79 Å²	79	24%	0.242	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	3.6	177.8	-71.8	-175.2	164.9	-141.9	-10.1	114	W693 L694 K695 I699	W693-R697 VanDerWaalsContact CZ2-CD 3.44Å; W693-R697 VanDerWaalsContact CZ2-NE 3.26Å; W693-R697 VanDerWaalsContact CZ2-NH1 3.28Å; W693-R697 PolarHBondContact O-N 3.3Å; L694-R697 CarbonylContact O-C 3.57Å; L694-R697 PolarHBondContact O-N 3.26Å; K695-R697 PolarHBondContact O-N 2.86Å; R697-I699 HydrophobicContact CB-CD1 3.8Å; R697-I699 HydrophobicContact CB-CG1 3.95Å; R697-I699 PolarHBondContact O-N 3.2Å
698	H	86.3	Confident	90.2	Very high	168 Å²	168	78.5 Å²	78.5	78%	0.778	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	26.5	-174.4	-61.4	-82.8	0	0	0	114.1	L694 K695	L694-H698 PolarHBondContact O-N 3.46Å; K695-H698 PolarHBondContact O-N 3.21Å; K695-H698 VanDerWaalsContact O-N 3.09Å
699	I	88	Confident	90.1	Very high	15 Å²	15	77.1 Å²	77.1	8%	0.077	35%	0.347	C	S	.	.			trans	-88.4	115.8	176.6	-61	168.1	0	0	0	108.1	V652 L665 L694 R697 A701	V652-I699 HydrophobicContact CG1-CD1 3.93Å; V652-I699 HydrophobicContact CG1-CG2 4.07Å; L665-I699 HydrophobicContact CD2-CG2 4.48Å; L694-I699 HydrophobicContact CD2-CB 4.04Å; L694-I699 HydrophobicContact CD2-CD1 4.46Å; L694-I699 HydrophobicContact CD2-CG2 3.88Å; L694-I699 PolarHBondContact O-N 3.37Å; R697-I699 HydrophobicContact CB-CD1 3.8Å; R697-I699 HydrophobicContact CB-CG1 3.95Å; R697-I699 PolarHBondContact O-N 3.2Å; I699-A701 HydrophobicContact CG2-CB 4.09Å; I699-A701 PolarHBondContact O-N 3.24Å; I699-A701 VanDerWaalsContact O-N 3.15Å
700	R	89.8	Confident	90.1	Very high	188 Å²	188	72.4 Å²	72.4	71%	0.709	33%	0.33	S	S	*	.			trans	-83.8	86.8	177.1	-55.9	-160.3	-160.4	160.3	-1.5	109.9	S661	S661-R700 VanDerWaalsContact CB-NH1 3.27Å; S661-R700 WeakPolarHBondContact OG-CD 3.48Å; S661-R700 PolarHBondContact OG-NE 3.21Å; S661-R700 PolarHBondContact OG-NH1 2.78Å
701	A	92.1	Very high	90	Very high	21 Å²	21	75.2 Å²	75.2	17%	0.174	35%	0.345	C	S	.	.			trans	-137.7	147.3	178.2	0	0	0	0	0	111.5	L665 L694 I699	L665-A701 HydrophobicContact CB-CB 4Å; L665-A701 HydrophobicContact CD2-CB 3.89Å; L665-A701 HydrophobicContact CG-CB 3.7Å; L665-A701 CarbonylContact O-C 3.56Å; L665-A701 VanDerWaalsContact O-CA 3.23Å; L665-A701 WeakPolarHBondContact O-CA 3.41Å; L694-A701 HydrophobicContact CD1-CB 4.22Å; L694-A701 HydrophobicContact CD2-CB 4.35Å; I699-A701 HydrophobicContact CG2-CB 4.09Å; I699-A701 PolarHBondContact O-N 3.24Å; I699-A701 VanDerWaalsContact O-N 3.15Å
702	F	93	Very high	90	Very high	121 Å²	121	73.6 Å²	73.6	53%	0.531	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	148.3	166	-61.3	-79.5	0	0	0	109.7	M664 L665 I666 C667 Y704	M664-F702 HydrophobicContact CG-CD2 3.92Å; M664-F702 HydrophobicContact CG-CE2 3.96Å; M664-F702 HydrophobicContact SD-CD2 4.27Å; M664-F702 HydrophobicContact SD-CE2 4.22Å; L665-F702 PolarHBondContact O-N 3.34Å; I666-F702 CarbonylContact C-O 3.6Å; I666-F702 WeakPolarHBondContact CA-O 3.48Å; I666-F702 HydrophobicContact CG1-CB 4.3Å; I666-F702 HydrophobicContact CG1-CD2 4.48Å; C667-F702 PolarHBondContact N-O 3.39Å; F702-Y704 HydrophobicContact CB-CD2 4.32Å; F702-Y704 HydrophobicContact CB-CE2 3.86Å
703	Y	94.2	Very high	90	Very high	21 Å²	21	71.2 Å²	71.2	8%	0.082	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.7	177.2	175.5	-103.7	0	0	0	109.7	P645 C667 Q669 I690	P645-Y703 HydrophobicContact CG-CD2 4Å; P645-Y703 HydrophobicContact CG-CE2 3.85Å; C667-Y703 HydrophobicContact CB-CD2 4.1Å; Q669-Y703 HydrophobicContact CB-CE2 4.06Å; Q669-Y703 PolarHBondContact OE1-OH 2.96Å; I690-Y703 HydrophobicContact CB-CD1 4.29Å; I690-Y703 HydrophobicContact CB-CD2 4.49Å; I690-Y703 HydrophobicContact CB-CE1 4.32Å; I690-Y703 HydrophobicContact CB-CG 4.37Å; I690-Y703 HydrophobicContact CD1-CD2 4.42Å; I690-Y703 HydrophobicContact CD1-CE1 3.94Å; I690-Y703 HydrophobicContact CD1-CE2 3.65Å; I690-Y703 VanDerWaalsContact CD1-OH 3.28Å; I690-Y703 WeakPolarHBondContact CD1-OH 3.42Å; I690-Y703 HydrophobicContact CG2-CD1 4.12Å; I690-Y703 HydrophobicContact CG2-CD2 3.6Å; I690-Y703 HydrophobicContact CG2-CE1 4.41Å; I690-Y703 HydrophobicContact CG2-CE2 3.92Å; I690-Y703 HydrophobicContact CG2-CG 3.7Å
704	Y	92.5	Very high	90	Very high	83 Å²	83	69.4 Å²	69.4	33%	0.325	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	122.5	175.4	-73.4	-101.7	0	0	0	108.7	I666 C667 G668 Q669 F702	I666-Y704 HydrophobicContact CD1-CE2 4.38Å; I666-Y704 HydrophobicContact CG1-CE2 4.5Å; I666-Y704 HydrophobicContact CG2-CD2 3.49Å; I666-Y704 VanDerWaalsContact CG2-CD2 3.49Å; I666-Y704 HydrophobicContact CG2-CE2 3.99Å; I666-Y704 HydrophobicContact CG2-CG 4.35Å; C667-Y704 PolarHBondContact O-N 3.05Å; G668-Y704 CarbonylContact C-O 3.57Å; G668-Y704 WeakPolarHBondContact CA-O 3.26Å; Q669-Y704 PolarHBondContact N-O 3.15Å; F702-Y704 HydrophobicContact CB-CD2 4.32Å; F702-Y704 HydrophobicContact CB-CE2 3.86Å
705	S	91.3	Very high	90.2	Very high	10 Å²	10	69.3 Å²	69.3	7%	0.07	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	128.9	168.3	171.3	0	0	0	0	107.9	Q669 L671 R683	Q669-S705 CarbonylContact O-C 3.6Å; Q669-S705 VanDerWaalsContact O-CA 3.26Å; Q669-S705 WeakPolarHBondContact O-CA 3.44Å; L671-S705 VanDerWaalsContact CD1-OG 3.26Å; L671-S705 WeakPolarHBondContact CD1-OG 3.49Å; R683-S705 PolarHBondContact NE-O 3.41Å; R683-S705 PolarHBondContact NH2-O 3.49Å
706	Y	89.2	Confident	90.3	Very high	80 Å²	80	64.2 Å²	64.2	31%	0.314	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	143.1	176.6	-162.4	-95.3	0	0	0	109.7	Q669 V670 L671 A708 A717	Q669-Y706 PolarHBondContact O-N 3.32Å; V670-Y706 CarbonylContact C-O 3.6Å; V670-Y706 WeakPolarHBondContact CA-O 3.32Å; L671-Y706 PolarHBondContact N-O 3Å; Y706-A708 HydrophobicContact CD1-CB 3.94Å; Y706-A708 HydrophobicContact CE1-CB 4.03Å; Y706-A717 HydrophobicContact CD1-CB 4.12Å; Y706-A717 HydrophobicContact CD2-CB 4.22Å; Y706-A717 HydrophobicContact CE1-CB 3.55Å; Y706-A717 HydrophobicContact CE2-CB 3.67Å; Y706-A717 HydrophobicContact CG-CB 4.42Å
707	L	91	Very high	90.5	Very high	23 Å²	23	57.8 Å²	57.8	12%	0.12	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	121.5	176.6	-168.5	75.8	0	0	0	107.3	L671 A673 L675 T679	L671-L707 HydrophobicContact CB-CD1 3.97Å; L671-L707 WeakPolarHBondContact O-CA 3.43Å; A673-L707 HydrophobicContact CB-CD1 3.82Å; A673-L707 WeakPolarHBondContact O-CD1 3.35Å; A673-L707 WeakPolarHBondContact O-CG 3.27Å; L675-L707 HydrophobicContact CB-CD2 4.18Å; L675-L707 HydrophobicContact CD1-CD2 3.69Å; T679-L707 HydrophobicContact CG2-CD1 3.89Å; T679-L707 HydrophobicContact CG2-CD2 4.35Å
708	A	89.4	Confident	90.9	Very high	9 Å²	9	55 Å²	55	7%	0.074	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	160.2	-179.2	0	0	0	0	0	110.6	V670 L671 Q672 Y706 S710 E713	V670-A708 HydrophobicContact CG1-CB 4.06Å; L671-A708 PolarHBondContact O-N 3.12Å; L671-A708 VanDerWaalsContact O-N 3.13Å; Q672-A708 WeakPolarHBondContact CA-O 3.42Å; Y706-A708 HydrophobicContact CD1-CB 3.94Å; Y706-A708 HydrophobicContact CE1-CB 4.03Å; A708-S710 WeakPolarHBondContact CB-O 3.48Å; A708-E713 HydrophobicContact CB-CB 4.37Å; A708-E713 HydrophobicContact CB-CG 4.49Å
709	S	86.8	Confident	91.1	Very high	99 Å²	99	47.4 Å²	47.4	69%	0.692	23%	0.232	S	C	*	.	S	Bend	trans	-69.8	-40.6	176.8	67.7	0	0	0	0	111.6	E713	S709-E713 PolarHBondContact N-OE2 3.44Å; S709-E713 PolarHBondContact OG-OE2 2.66Å
710	S	88.1	Confident	91.2	Very high	28 Å²	28	52.1 Å²	52.1	20%	0.196	25%	0.253	C	S	.	.	S	Bend	trans	-121.1	159	179.5	63.8	0	0	0	0	111.4	A708 Q712 E713 G714	A708-S710 WeakPolarHBondContact CB-O 3.48Å; S710-Q712 VanDerWaalsContact C-N 3.3Å; S710-E713 WeakPolarHBondContact OG-CB 3.41Å; S710-E713 PolarHBondContact OG-N 3.06Å; S710-G714 PolarHBondContact O-N 3.35Å
711	L	91	Very high	91.3	Very high	62 Å²	62	48.9 Å²	48.9	33%	0.325	25%	0.25	S	C	.	.	H	α-helix	trans	-64.9	-39.8	174.9	-178.8	61.3	0	0	0	110.9	V670 G714 V715 E750 I754	V670-L711 HydrophobicContact CB-CD1 3.72Å; V670-L711 HydrophobicContact CG1-CD1 4.25Å; V670-L711 HydrophobicContact CG2-CD1 3.99Å; L711-G714 PolarHBondContact O-N 3.3Å; L711-V715 HydrophobicContact CD1-CG2 4.19Å; L711-V715 HydrophobicContact CG-CG2 4.4Å; L711-V715 WeakPolarHBondContact O-CG2 3.32Å; L711-V715 PolarHBondContact O-N 3.47Å; L711-E750 WeakPolarHBondContact CB-OE2 3.4Å; L711-I754 HydrophobicContact CD2-CD1 3.76Å; L711-I754 HydrophobicContact CG-CD1 3.76Å
712	Q	90	Very high	91.3	Very high	60 Å²	60	48.3 Å²	48.3	28%	0.28	24%	0.244	S	C	.	.	H	α-helix	trans	-61.2	-50.8	-179.1	-175.8	-170.5	-5.5	0	0	111.9	S710 G714 V715 L716 L753	S710-Q712 VanDerWaalsContact C-N 3.3Å; Q712-G714 VanDerWaalsContact C-N 3.29Å; Q712-G714 PolarHBondContact O-N 2.99Å; Q712-V715 PolarHBondContact O-N 3.37Å; Q712-L716 WeakPolarHBondContact O-CB 3.44Å; Q712-L716 PolarHBondContact O-N 2.87Å; Q712-L753 HydrophobicContact CG-CB 4.2Å
713	E	90.9	Very high	91	Very high	93 Å²	93	43.5 Å²	43.5	44%	0.435	23%	0.229	S	C	.	.	H	α-helix	trans	-58.7	-42.7	178.5	-176.8	-173.4	-168.3	0	0	111.2	A708 S709 S710 L716 A717	A708-E713 HydrophobicContact CB-CB 4.37Å; A708-E713 HydrophobicContact CB-CG 4.49Å; S709-E713 PolarHBondContact N-OE2 3.44Å; S709-E713 PolarHBondContact OG-OE2 2.66Å; S710-E713 WeakPolarHBondContact OG-CB 3.41Å; S710-E713 PolarHBondContact OG-N 3.06Å; E713-L716 WeakPolarHBondContact O-CB 3.3Å; E713-L716 PolarHBondContact O-N 3.31Å; E713-A717 PolarHBondContact O-N 2.95Å
714	G	92.1	Very high	90.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66.4	-38.1	177.7	0	0	0	0	0	113.6	S710 L711 Q712 L718	S710-G714 PolarHBondContact O-N 3.35Å; L711-G714 PolarHBondContact O-N 3.3Å; Q712-G714 VanDerWaalsContact C-N 3.29Å; Q712-G714 PolarHBondContact O-N 2.99Å; G714-L718 VanDerWaalsContact O-CG 3.29Å; G714-L718 WeakPolarHBondContact O-CG 3.37Å; G714-L718 PolarHBondContact O-N 3.48Å; G714-L718 VanDerWaalsContact O-N 3.07Å
715	V	93.9	Very high	90.3	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.012	27%	0.266	C	S	.	.	H	α-helix	trans	-71.3	-37.4	175.4	174.1	0	0	0	0	111.3	L641 V670 L711 Q712 A717 L718 L719 M732 I754	L641-V715 HydrophobicContact CD1-CG1 3.76Å; L641-V715 HydrophobicContact CD1-CG2 3.92Å; L641-V715 HydrophobicContact CD2-CG1 4.31Å; L641-V715 HydrophobicContact CD2-CG2 4.15Å; V670-V715 HydrophobicContact CG2-CG2 3.96Å; L711-V715 HydrophobicContact CD1-CG2 4.19Å; L711-V715 HydrophobicContact CG-CG2 4.4Å; L711-V715 WeakPolarHBondContact O-CG2 3.32Å; L711-V715 PolarHBondContact O-N 3.47Å; Q712-V715 PolarHBondContact O-N 3.37Å; V715-A717 VanDerWaalsContact C-N 3.34Å; V715-A717 PolarHBondContact O-N 3.15Å; V715-L718 WeakPolarHBondContact O-CB 3.41Å; V715-L718 PolarHBondContact O-N 3.42Å; V715-L718 VanDerWaalsContact O-N 3.16Å; V715-L719 HydrophobicContact CG1-CD1 4.1Å; V715-L719 HydrophobicContact CG1-CG 4.36Å; V715-L719 WeakPolarHBondContact O-CG 3.39Å; V715-L719 PolarHBondContact O-N 2.74Å; V715-M732 HydrophobicContact CG1-SD 4.24Å; V715-I754 HydrophobicContact CB-CG1 4.19Å; V715-I754 HydrophobicContact CG1-CG1 4.29Å; V715-I754 HydrophobicContact CG1-CG2 3.84Å; V715-I754 HydrophobicContact CG2-CD1 4.13Å; V715-I754 HydrophobicContact CG2-CG1 4.29Å
716	L	92.8	Very high	90	Very high	58 Å²	58	49.6 Å²	49.6	30%	0.304	28%	0.276	S	S	.	.	H	α-helix	trans	-58.4	-47.6	174.5	-176.6	65	0	0	0	110.8	Q712 E713 L718 L719 Q720 F761	Q712-L716 WeakPolarHBondContact O-CB 3.44Å; Q712-L716 PolarHBondContact O-N 2.87Å; E713-L716 WeakPolarHBondContact O-CB 3.3Å; E713-L716 PolarHBondContact O-N 3.31Å; L716-L718 VanDerWaalsContact C-N 3.34Å; L716-L718 PolarHBondContact O-N 3.06Å; L716-L719 PolarHBondContact O-N 2.88Å; L716-Q720 WeakPolarHBondContact O-CG 3.42Å; L716-Q720 PolarHBondContact O-N 3.47Å; L716-Q720 VanDerWaalsContact O-N 3.09Å; L716-F761 HydrophobicContact CD1-CE2 3.36Å; L716-F761 HydrophobicContact CD1-CZ 3.78Å
717	A	92.6	Very high	90	Very high	9 Å²	9	48.7 Å²	48.7	7%	0.074	28%	0.276	C	S	.	.	H	α-helix	trans	-61.5	-39.6	174.7	0	0	0	0	0	112.4	Y706 E713 V715 Q720 L721	Y706-A717 HydrophobicContact CD1-CB 4.12Å; Y706-A717 HydrophobicContact CD2-CB 4.22Å; Y706-A717 HydrophobicContact CE1-CB 3.55Å; Y706-A717 HydrophobicContact CE2-CB 3.67Å; Y706-A717 HydrophobicContact CG-CB 4.42Å; E713-A717 PolarHBondContact O-N 2.95Å; V715-A717 VanDerWaalsContact C-N 3.34Å; V715-A717 PolarHBondContact O-N 3.15Å; A717-Q720 PolarHBondContact O-N 3.36Å; A717-L721 VanDerWaalsContact O-CB 3.27Å; A717-L721 WeakPolarHBondContact O-CB 3.21Å; A717-L721 WeakPolarHBondContact O-CG 3.39Å; A717-L721 PolarHBondContact O-N 3.06Å
718	L	93.1	Very high	90	Very high	5 Å²	5	49.8 Å²	49.8	3%	0.026	29%	0.286	C	S	.	.	H	α-helix	trans	-64.2	-40.9	174.8	-71.1	169.4	0	0	0	112	L639 L641 V670 G714 V715 L716 Q720 C722	L639-L718 HydrophobicContact CD2-CB 4.16Å; L641-L718 HydrophobicContact CD2-CD1 4.2Å; V670-L718 HydrophobicContact CG2-CD1 3.89Å; G714-L718 VanDerWaalsContact O-CG 3.29Å; G714-L718 WeakPolarHBondContact O-CG 3.37Å; G714-L718 PolarHBondContact O-N 3.48Å; G714-L718 VanDerWaalsContact O-N 3.07Å; V715-L718 WeakPolarHBondContact O-CB 3.41Å; V715-L718 PolarHBondContact O-N 3.42Å; V715-L718 VanDerWaalsContact O-N 3.16Å; L716-L718 VanDerWaalsContact C-N 3.34Å; L716-L718 PolarHBondContact O-N 3.06Å; L718-Q720 VanDerWaalsContact C-N 3.33Å; L718-Q720 PolarHBondContact O-N 3Å; L718-C722 WeakPolarHBondContact CD2-SG 3.35Å; L718-C722 WeakPolarHBondContact O-CB 3.5Å; L718-C722 PolarHBondContact O-N 3.42Å; L718-C722 PolarHBondContact O-SG 3.27Å
719	L	92.3	Very high	90.2	Very high	8 Å²	8	49.5 Å²	49.5	4%	0.042	28%	0.283	C	S	.	.	H	α-helix	trans	-66.3	-35	179	-75.8	169.1	0	0	0	112.8	L639 V715 L716 M732 F761 K763	L639-L719 HydrophobicContact CD2-CD2 3.95Å; L639-L719 HydrophobicContact CD2-CG 4.38Å; V715-L719 HydrophobicContact CG1-CD1 4.1Å; V715-L719 HydrophobicContact CG1-CG 4.36Å; V715-L719 WeakPolarHBondContact O-CG 3.39Å; V715-L719 PolarHBondContact O-N 2.74Å; L716-L719 PolarHBondContact O-N 2.88Å; L719-M732 HydrophobicContact CD1-SD 3.96Å; L719-M732 HydrophobicContact CD2-CB 4.19Å; L719-M732 HydrophobicContact CD2-CG 4.28Å; L719-M732 HydrophobicContact CD2-SD 3.85Å; L719-M732 HydrophobicContact CG-SD 4.24Å; L719-F761 HydrophobicContact CB-CD2 3.86Å; L719-F761 HydrophobicContact CB-CE2 4.31Å; L719-F761 HydrophobicContact CB-CG 4.24Å; L719-F761 HydrophobicContact CD1-CD2 4.03Å; L719-K763 HydrophobicContact CD2-CG 4.34Å
720	Q	90	Very high	90.5	Very high	114 Å²	114	46.2 Å²	46.2	53%	0.533	26%	0.258	S	S	.	.	H	α-helix	trans	-79.1	-43.9	178.9	-73	176.9	-21.1	0	0	113.1	L716 A717 L718 F761	L716-Q720 WeakPolarHBondContact O-CG 3.42Å; L716-Q720 PolarHBondContact O-N 3.47Å; L716-Q720 VanDerWaalsContact O-N 3.09Å; A717-Q720 PolarHBondContact O-N 3.36Å; L718-Q720 VanDerWaalsContact C-N 3.33Å; L718-Q720 PolarHBondContact O-N 3Å; Q720-F761 HydrophobicContact CG-CD1 4.36Å; Q720-F761 HydrophobicContact CG-CE1 3.35Å; Q720-F761 HydrophobicContact CG-CE2 4.25Å; Q720-F761 HydrophobicContact CG-CZ 3.3Å
721	L	91.4	Very high	90.8	Very high	121 Å²	121	45 Å²	45	63%	0.634	25%	0.249	S	C	*	.	H	α-helix	trans	-107.1	-10.9	-164	-56.3	175.6	0	0	0	114.3	A717 G723	A717-L721 VanDerWaalsContact O-CB 3.27Å; A717-L721 WeakPolarHBondContact O-CB 3.21Å; A717-L721 WeakPolarHBondContact O-CG 3.39Å; A717-L721 PolarHBondContact O-N 3.06Å; L721-G723 PolarHBondContact O-N 2.93Å
722	C	91.4	Very high	91	Very high	8 Å²	8	42.1 Å²	42.1	5%	0.054	23%	0.234	C	C	.	.	S	Bend	trans	-73.5	131.2	-180	-77.8	0	0	0	0	112.6	I666 L718 P729	I666-C722 HydrophobicContact CD1-CB 4.17Å; L718-C722 WeakPolarHBondContact CD2-SG 3.35Å; L718-C722 WeakPolarHBondContact O-CB 3.5Å; L718-C722 PolarHBondContact O-N 3.42Å; L718-C722 PolarHBondContact O-SG 3.27Å; C722-P729 HydrophobicContact CB-CG 4.27Å; C722-P729 WeakPolarHBondContact O-CD 3.28Å
723	G	87.5	Confident	91.3	Very high	20 Å²	20	39.3 Å²	39.3	21%	0.206	22%	0.221	C	C	.	.	S	Bend	trans	102.9	-178.5	176.5	0	0	0	0	0	113.1	L721 L727	L721-G723 PolarHBondContact O-N 2.93Å; G723-L727 WeakPolarHBondContact CA-O 3.48Å
724	M	86.4	Confident	91.5	Very high	121 Å²	121	35.3 Å²	35.3	60%	0.596	20%	0.202	S	C	*	.	B	Isolated β-bridge	trans	-142	122.9	178	-69.7	-173.1	-66.4	0	0	110.3	M621 K726 L727	M621-M724 HydrophobicContact CE-CB 3.58Å; M621-M724 HydrophobicContact CE-CE 3.65Å; M621-M724 HydrophobicContact SD-CB 4.33Å; M621-M724 HydrophobicContact SD-CE 3.91Å; M724-K726 PolarHBondContact O-N 3.09Å; M724-L727 PolarHBondContact N-O 3.01Å; M724-L727 WeakPolarHBondContact O-CA 3.47Å; M724-L727 WeakPolarHBondContact O-CB 3.46Å; M724-L727 PolarHBondContact O-N 2.93Å
725	G	85.2	Confident	91.5	Very high	59 Å²	59	36.2 Å²	36.2	61%	0.608	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	-128.1	-178	0	0	0	0	0	112.2	L727	G725-L727 PolarHBondContact O-N 3.24Å
726	K	85.6	Confident	91.5	Very high	62 Å²	62	36.7 Å²	36.7	27%	0.27	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-11.8	175.5	-62	-155.5	176.5	-150.3	0	114.4	L624 Q625 T627 D629 M724 S728	L624-K726 HydrophobicContact CD2-CB 4.01Å; L624-K726 HydrophobicContact CG-CB 4.03Å; L624-K726 HydrophobicContact CG-CD 4.34Å; L624-K726 HydrophobicContact CG-CG 4.48Å; L624-K726 VanDerWaalsContact O-CD 3.27Å; L624-K726 WeakPolarHBondContact O-CD 3.49Å; L624-K726 WeakPolarHBondContact O-CE 3.45Å; Q625-K726 WeakPolarHBondContact O-CE 3.32Å; T627-K726 VanDerWaalsContact O-CE 3.3Å; T627-K726 WeakPolarHBondContact O-CE 3.16Å; T627-K726 PolarHBondContact O-NZ 3.22Å; D629-K726 IonicContact OD1-NZ 3.4Å; D629-K726 PolarHBondContact OD1-NZ 3.44Å; D629-K726 IonicContact OD2-NZ 2.75Å; D629-K726 PolarHBondContact OD2-NZ 3.33Å; M724-K726 PolarHBondContact O-N 3.09Å; K726-S728 PolarHBondContact O-N 3.49Å; K726-S728 VanDerWaalsContact O-N 3.09Å
727	L	88.8	Confident	91.4	Very high	62 Å²	62	35.7 Å²	35.7	33%	0.325	21%	0.207	S	C	.	.	B	Isolated β-bridge	trans	-85.2	52.9	172.2	-56.4	-171.4	0	0	0	110.8	M621 L624 M637 M664 G723 M724 G725	M621-L727 HydrophobicContact CE-CB 4.24Å; M621-L727 HydrophobicContact CE-CD1 3.46Å; M621-L727 VanDerWaalsContact CE-CD1 3.46Å; M621-L727 HydrophobicContact CE-CG 4.01Å; L624-L727 HydrophobicContact CD2-CD2 3.74Å; L624-L727 HydrophobicContact CD2-CG 4.16Å; M637-L727 HydrophobicContact CE-CB 4.02Å; M637-L727 HydrophobicContact CE-CD2 3.66Å; M637-L727 HydrophobicContact CE-CG 4.44Å; M664-L727 WeakPolarHBondContact CE-O 3.08Å; M664-L727 HydrophobicContact SD-CB 4.28Å; G723-L727 WeakPolarHBondContact CA-O 3.48Å; M724-L727 PolarHBondContact N-O 3.01Å; M724-L727 WeakPolarHBondContact O-CA 3.47Å; M724-L727 WeakPolarHBondContact O-CB 3.46Å; M724-L727 PolarHBondContact O-N 2.93Å; G725-L727 PolarHBondContact O-N 3.24Å
728	S	90.4	Very high	91.3	Very high	45 Å²	45	38.9 Å²	38.9	32%	0.315	22%	0.221	S	C	.	.	S	Bend	trans	-104	151.8	173.2	57.9	0	0	0	0	110.2	M637 K726	M637-S728 VanDerWaalsContact CB-O 3.29Å; M637-S728 WeakPolarHBondContact CB-O 3.19Å; K726-S728 PolarHBondContact O-N 3.49Å; K726-S728 VanDerWaalsContact O-N 3.09Å
729	P	93.6	Very high	91.1	Very high	4 Å²	4	42.3 Å²	42.3	3%	0.026	24%	0.239	C	C	.	.			trans	-66.7	136.5	177.8	27.6	-32.2	0	0	0	110.4	M637 L639 C722 K763	M637-P729 CarbonylContact O-C 3.3Å; M637-P729 WeakPolarHBondContact O-CA 3.23Å; L639-P729 HydrophobicContact CB-CB 3.7Å; L639-P729 HydrophobicContact CB-CG 4.05Å; C722-P729 HydrophobicContact CB-CG 4.27Å; C722-P729 WeakPolarHBondContact O-CD 3.28Å; P729-K763 WeakPolarHBondContact O-CD 3.43Å; P729-K763 VanDerWaalsContact O-CE 3.3Å; P729-K763 WeakPolarHBondContact O-CE 3.43Å; P729-K763 PolarHBondContact O-NZ 3.24Å
730	N	92.9	Very high	91	Very high	30 Å²	30	42 Å²	42	16%	0.16	24%	0.237	C	C	.	.	S	Bend	trans	-107.5	-12.9	172.8	60.5	6.4	0	0	0	112.5	Y634 R635 M637 K763 G764	Y634-N730 WeakPolarHBondContact CE2-ND2 3.44Å; Y634-N730 PolarHBondContact OH-ND2 3Å; R635-N730 PolarHBondContact O-ND2 2.92Å; M637-N730 WeakPolarHBondContact CA-OD1 3.45Å; M637-N730 WeakPolarHBondContact CB-OD1 3.39Å; M637-N730 PolarHBondContact N-OD1 3.16Å; M637-N730 PolarHBondContact O-N 2.97Å; M637-N730 PolarHBondContact O-OD1 3.5Å; N730-K763 WeakPolarHBondContact O-CA 3.43Å; N730-G764 PolarHBondContact O-N 3.42Å
731	I	94.7	Very high	90.9	Very high	2 Å²	2	39 Å²	39	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	129.6	177.2	-56.3	162.1	0	0	0	109.1	P636 M637 I638 L639 I733 G764 L947 I951	P636-I731 HydrophobicContact CB-CD1 3.94Å; M637-I731 PolarHBondContact O-N 3.07Å; M637-I731 VanDerWaalsContact O-N 3.09Å; I638-I731 CarbonylContact C-O 3.6Å; I638-I731 WeakPolarHBondContact CA-O 3.43Å; I638-I731 HydrophobicContact CG1-CB 4.29Å; I638-I731 HydrophobicContact CG1-CD1 4.33Å; L639-I731 PolarHBondContact N-O 3.48Å; I731-I733 HydrophobicContact CG2-CD1 4.38Å; I731-I733 HydrophobicContact CG2-CG1 3.88Å; I731-G764 CarbonylContact C-O 3.54Å; I731-G764 VanDerWaalsContact CA-O 3.28Å; I731-G764 WeakPolarHBondContact CA-O 3.41Å; I731-L947 HydrophobicContact CD1-CD1 3.79Å; I731-L947 HydrophobicContact CD1-CD2 4.11Å; I731-L947 HydrophobicContact CG1-CD2 4.11Å; I731-I951 HydrophobicContact CD1-CD1 4.48Å
732	M	95.8	Very high	90.7	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	125.8	168.4	-176.9	-176.3	71	0	0	109.4	L639 L641 V715 L719 M734 I754 G764 V765 G766	L639-M732 CarbonylContact O-C 3.51Å; L639-M732 WeakPolarHBondContact O-CA 3.43Å; L641-M732 HydrophobicContact CD1-CG 4.14Å; L641-M732 HydrophobicContact CD1-SD 3.86Å; L641-M732 HydrophobicContact CG-CG 4.32Å; V715-M732 HydrophobicContact CG1-SD 4.24Å; L719-M732 HydrophobicContact CD1-SD 3.96Å; L719-M732 HydrophobicContact CD2-CB 4.19Å; L719-M732 HydrophobicContact CD2-CG 4.28Å; L719-M732 HydrophobicContact CD2-SD 3.85Å; L719-M732 HydrophobicContact CG-SD 4.24Å; M732-M734 HydrophobicContact CE-SD 4.07Å; M732-I754 HydrophobicContact CE-CG2 4.01Å; M732-I754 WeakPolarHBondContact CE-O 3.36Å; M732-I754 HydrophobicContact SD-CG2 4.17Å; M732-G764 PolarHBondContact N-O 2.69Å; M732-V765 HydrophobicContact CE-CG1 4.16Å; M732-V765 HydrophobicContact CE-CG2 4.29Å; M732-V765 CarbonylContact O-C 3.52Å; M732-V765 WeakPolarHBondContact O-CA 3.26Å; M732-G766 PolarHBondContact O-N 2.82Å
733	I	96.3	Very high	90.4	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	133.4	175.2	-60.1	-176.5	0	0	0	110.2	I638 L639 L640 L641 V655 I731 G766 F1107	I638-I733 HydrophobicContact CD1-CD1 4.03Å; I638-I733 HydrophobicContact CG2-CB 4.19Å; I638-I733 HydrophobicContact CG2-CD1 3.62Å; I638-I733 HydrophobicContact CG2-CG1 3.75Å; L639-I733 PolarHBondContact O-N 3.37Å; L640-I733 WeakPolarHBondContact CA-O 3.47Å; L640-I733 HydrophobicContact CD1-CB 3.78Å; L640-I733 HydrophobicContact CD1-CG2 3.56Å; L641-I733 PolarHBondContact N-O 2.89Å; V655-I733 HydrophobicContact CG1-CD1 4.38Å; V655-I733 HydrophobicContact CG2-CD1 4.01Å; V655-I733 HydrophobicContact CG2-CG2 4.34Å; I731-I733 HydrophobicContact CG2-CD1 4.38Å; I731-I733 HydrophobicContact CG2-CG1 3.88Å; I733-G766 CarbonylContact C-O 3.59Å; I733-G766 VanDerWaalsContact CA-O 3.24Å; I733-G766 WeakPolarHBondContact CA-O 3.22Å; I733-F1107 HydrophobicContact CD1-CE2 4.17Å; I733-F1107 HydrophobicContact CD1-CZ 3.66Å; I733-F1107 HydrophobicContact CG1-CE2 4.39Å; I733-F1107 HydrophobicContact CG1-CZ 4.15Å; I733-F1107 HydrophobicContact CG2-CE2 4.16Å
734	M	94.5	Very high	90.5	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.039	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	165.8	175.8	61.4	-159.2	-82.1	0	0	111.8	L641 M732 Y751 I754 I755 G766 I767 L768	L641-M734 HydrophobicContact CB-CB 4.23Å; L641-M734 HydrophobicContact CD1-CB 4.26Å; M732-M734 HydrophobicContact CE-SD 4.07Å; M734-Y751 HydrophobicContact CE-CD1 4.26Å; M734-Y751 HydrophobicContact CE-CD2 3.47Å; M734-Y751 VanDerWaalsContact CE-CD2 3.47Å; M734-Y751 HydrophobicContact CE-CE1 3.98Å; M734-Y751 HydrophobicContact CE-CE2 3.12Å; M734-Y751 HydrophobicContact CE-CG 4.04Å; M734-I754 HydrophobicContact CE-CB 4.31Å; M734-I754 HydrophobicContact CE-CG2 3.84Å; M734-I754 HydrophobicContact SD-CG2 3.83Å; M734-I755 HydrophobicContact CE-CG1 4.07Å; M734-I755 HydrophobicContact SD-CG1 3.97Å; M734-G766 PolarHBondContact N-O 3.46Å; M734-I767 HydrophobicContact CG-CG1 3.96Å; M734-I767 WeakPolarHBondContact O-CA 3.39Å; M734-L768 PolarHBondContact O-N 3.27Å
735	G	93	Very high	90.6	Very high	20 Å²	20	42.5 Å²	42.5	21%	0.206	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	150	174.9	0	0	0	0	0	111	M651 Y751	M651-G735 VanDerWaalsContact CE-N 3.28Å; G735-Y751 WeakPolarHBondContact O-CE2 3.31Å; G735-Y751 PolarHBondContact O-OH 3.1Å
736	F	93.5	Very high	90.8	Very high	12 Å²	12	41.4 Å²	41.4	5%	0.053	23%	0.225	C	C	.	.			trans	-66.5	133.4	171.5	-168	-90.8	0	0	0	110.9	H738 Y751 I767 L768 R769 L1096 E1097 L1108	F736-H738 AromaticContact CD1-ND1 3.94Å; F736-H738 PolarHBondContact O-N 3.07Å; F736-Y751 WeakPolarHBondContact CA-OH 3.24Å; F736-I767 HydrophobicContact CB-CG2 3.95Å; F736-I767 HydrophobicContact CD2-CG2 3.87Å; F736-I767 HydrophobicContact CG-CG2 4.41Å; F736-L768 PolarHBondContact N-O 3.38Å; F736-R769 HydrophobicContact CB-CB 3.8Å; F736-R769 HydrophobicContact CB-CG 3.98Å; F736-R769 HydrophobicContact CD1-CG 4.27Å; F736-R769 HydrophobicContact CG-CB 4.21Å; F736-R769 HydrophobicContact CG-CG 4.1Å; F736-L1096 HydrophobicContact CE2-CB 3.85Å; F736-E1097 WeakPolarHBondContact CE1-OE2 3.31Å; F736-E1097 WeakPolarHBondContact CZ-OE2 3.38Å; F736-L1108 HydrophobicContact CD2-CD1 4.32Å
737	K	91.6	Very high	91	Very high	36 Å²	36	40.2 Å²	40.2	16%	0.157	23%	0.227	C	C	.	.			trans	-82.9	103	176	-176.3	175.2	169.9	55.8	0	109.5	D739 W740 S743 Y751	K737-D739 WeakPolarHBondContact CG-OD1 3.04Å; K737-D739 IonicContact NZ-OD1 2.81Å; K737-D739 PolarHBondContact NZ-OD1 3.34Å; K737-D739 IonicContact NZ-OD2 3.93Å; K737-D739 PolarHBondContact NZ-OD2 2.8Å; K737-W740 HydrophobicContact CD-CB 4.28Å; K737-W740 HydrophobicContact CG-CB 4.23Å; K737-W740 VanDerWaalsContact O-CD1 3.25Å; K737-S743 WeakPolarHBondContact CE-OG 3.33Å; K737-Y751 HydrophobicContact CB-CD1 4.48Å; K737-Y751 HydrophobicContact CB-CD2 3.98Å; K737-Y751 HydrophobicContact CB-CE1 4.34Å; K737-Y751 HydrophobicContact CB-CE2 3.81Å; K737-Y751 HydrophobicContact CB-CG 4.3Å; K737-Y751 HydrophobicContact CD-CD2 4.44Å; K737-Y751 HydrophobicContact CD-CG 4.41Å
738	H	88.6	Confident	91.1	Very high	77 Å²	77	37.2 Å²	37.2	36%	0.356	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-24.5	-175.1	-69.6	-71.3	0	0	0	114.7	F736	F736-H738 AromaticContact CD1-ND1 3.94Å; F736-H738 PolarHBondContact O-N 3.07Å
739	D	89.8	Confident	91.1	Very high	77 Å²	77	37.1 Å²	37.1	41%	0.412	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	16.8	-173	64	-44.5	0	0	0	112.8	K737 E741 T742 S743	K737-D739 WeakPolarHBondContact CG-OD1 3.04Å; K737-D739 IonicContact NZ-OD1 2.81Å; K737-D739 PolarHBondContact NZ-OD1 3.34Å; K737-D739 IonicContact NZ-OD2 3.93Å; K737-D739 PolarHBondContact NZ-OD2 2.8Å; D739-E741 PolarHBondContact O-N 3.45Å; D739-T742 PolarHBondContact O-N 3.42Å; D739-T742 PolarHBondContact O-OG1 3.11Å; D739-T742 VanDerWaalsContact O-OG1 3.05Å; D739-S743 WeakPolarHBondContact O-CB 3.46Å; D739-S743 PolarHBondContact O-N 3.14Å; D739-S743 PolarHBondContact O-OG 3.2Å
740	W	90	Very high	91	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-28.7	-174.5	73.7	-88.7	0	0	0	113.7	K737 T742 S743 L1020 F1024 L1093 A1094 E1097	K737-W740 HydrophobicContact CD-CB 4.28Å; K737-W740 HydrophobicContact CG-CB 4.23Å; K737-W740 VanDerWaalsContact O-CD1 3.25Å; W740-T742 VanDerWaalsContact C-N 3.3Å; W740-T742 PolarHBondContact O-N 3.2Å; W740-S743 WeakPolarHBondContact CA-OG 3.19Å; W740-S743 PolarHBondContact O-OG 2.92Å; W740-L1020 HydrophobicContact CH2-CD2 4.41Å; W740-L1020 HydrophobicContact CZ2-CD2 4Å; W740-F1024 HydrophobicContact CE3-CE2 4.29Å; W740-F1024 HydrophobicContact CE3-CZ 4.24Å; W740-F1024 HydrophobicContact CH2-CE2 4.27Å; W740-F1024 HydrophobicContact CZ3-CD2 4.24Å; W740-F1024 AromaticContact CZ3-CE2 3.59Å; W740-F1024 HydrophobicContact CZ3-CE2 3.59Å; W740-F1024 AromaticContact CZ3-CZ 3.98Å; W740-F1024 HydrophobicContact CZ3-CZ 3.98Å; W740-L1093 HydrophobicContact CB-CD1 4.07Å; W740-L1093 HydrophobicContact CD2-CB 3.99Å; W740-L1093 HydrophobicContact CD2-CD1 4.16Å; W740-L1093 HydrophobicContact CE3-CB 3.94Å; W740-L1093 HydrophobicContact CE3-CD1 3.99Å; W740-L1093 HydrophobicContact CG-CD1 4.23Å; W740-L1093 HydrophobicContact CH2-CB 4.33Å; W740-L1093 HydrophobicContact CZ2-CB 4.38Å; W740-L1093 HydrophobicContact CZ3-CB 4.11Å; W740-A1094 HydrophobicContact CH2-CB 4.24Å; W740-E1097 HydrophobicContact CZ2-CB 4.14Å; W740-E1097 HydrophobicContact CZ2-CG 4.34Å; W740-E1097 PolarHBondContact NE1-OE2 3.49Å
741	E	87.6	Confident	91	Very high	52 Å²	52	38.9 Å²	38.9	24%	0.243	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-24	175.6	-66.6	-174	-128.8	0	0	113.7	D739 L1020 K1023 R1101	D739-E741 PolarHBondContact O-N 3.45Å; E741-L1020 HydrophobicContact CG-CD2 4.39Å; E741-L1020 WeakPolarHBondContact OE1-CD2 3.42Å; E741-K1023 IonicContact OE2-NZ 3.55Å; E741-K1023 PolarHBondContact OE2-NZ 3.36Å; E741-R1101 IonicContact OE1-NH1 3.96Å
742	T	88	Confident	90.9	Very high	125 Å²	125	39.4 Å²	39.4	77%	0.767	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.6	-12.2	-175.2	52.1	0	0	0	0	113.3	D739 W740	D739-T742 PolarHBondContact O-N 3.42Å; D739-T742 PolarHBondContact O-OG1 3.11Å; D739-T742 VanDerWaalsContact O-OG1 3.05Å; W740-T742 VanDerWaalsContact C-N 3.3Å; W740-T742 PolarHBondContact O-N 3.2Å
743	S	85.2	Confident	90.8	Very high	22 Å²	22	41.5 Å²	41.5	15%	0.154	23%	0.225	C	C	.	.	S	Bend	trans	-79.3	156.8	-176.9	60.6	0	0	0	0	112.1	K737 D739 W740 V748	K737-S743 WeakPolarHBondContact CE-OG 3.33Å; D739-S743 WeakPolarHBondContact O-CB 3.46Å; D739-S743 PolarHBondContact O-N 3.14Å; D739-S743 PolarHBondContact O-OG 3.2Å; W740-S743 WeakPolarHBondContact CA-OG 3.19Å; W740-S743 PolarHBondContact O-OG 2.92Å; S743-V748 WeakPolarHBondContact OG-CG2 3.29Å
744	D	88.9	Confident	90.6	Very high	111 Å²	111	41.6 Å²	41.6	59%	0.594	23%	0.225	S	C	*	.			trans	-56.3	144.8	172.8	-175.9	24.9	0	0	0	112.2	A746 A747 V748	D744-A746 PolarHBondContact O-N 2.94Å; D744-A747 PolarHBondContact O-N 2.94Å; D744-V748 PolarHBondContact O-N 2.78Å
745	Y	89.7	Confident	90.6	Very high	86 Å²	86	41.2 Å²	41.2	34%	0.337	22%	0.223	S	C	.	.	H	α-helix	trans	-57.9	-34.4	-178.9	-65	-42.3	0	0	0	111.8	A747 V748 K749 F1024 A1038 V1041	Y745-A747 PolarHBondContact O-N 3.19Å; Y745-V748 PolarHBondContact O-N 3.13Å; Y745-K749 WeakPolarHBondContact O-CB 3.34Å; Y745-K749 PolarHBondContact O-N 3.35Å; Y745-F1024 HydrophobicContact CD1-CE1 4.42Å; Y745-F1024 AromaticContact CE1-CD1 3.98Å; Y745-F1024 HydrophobicContact CE1-CD1 3.98Å; Y745-F1024 AromaticContact CE1-CE1 3.82Å; Y745-F1024 HydrophobicContact CE1-CE1 3.82Å; Y745-A1038 HydrophobicContact CD2-CB 3.88Å; Y745-A1038 HydrophobicContact CE2-CB 4.3Å; Y745-V1041 HydrophobicContact CD1-CB 4.24Å; Y745-V1041 HydrophobicContact CD1-CG1 3.8Å; Y745-V1041 HydrophobicContact CE1-CG1 4.35Å; Y745-V1041 WeakPolarHBondContact O-CG2 3.44Å
746	A	88.8	Confident	90.5	Very high	35 Å²	35	40.8 Å²	40.8	29%	0.289	22%	0.216	S	C	.	.	H	α-helix	trans	-58.6	-44.6	174.9	0	0	0	0	0	112.4	D744 K749 E750 P1037	D744-A746 PolarHBondContact O-N 2.94Å; A746-K749 PolarHBondContact O-N 3.42Å; A746-E750 WeakPolarHBondContact O-CG 3.2Å; A746-E750 PolarHBondContact O-N 3.02Å; A746-P1037 HydrophobicContact CB-CB 4.48Å; A746-P1037 HydrophobicContact CB-CG 4.1Å
747	A	89.6	Confident	90.4	Very high	37 Å²	37	40.7 Å²	40.7	31%	0.306	22%	0.216	S	C	.	.	H	α-helix	trans	-69.4	-34.9	-179.7	0	0	0	0	0	112.5	D744 Y745 Y751	D744-A747 PolarHBondContact O-N 2.94Å; Y745-A747 PolarHBondContact O-N 3.19Å; A747-Y751 WeakPolarHBondContact O-CB 3.16Å; A747-Y751 PolarHBondContact O-N 3.02Å; A747-Y751 VanDerWaalsContact O-N 3.14Å
748	V	91.3	Very high	90.4	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.2	-46.6	174.6	178.4	0	0	0	0	110.4	S743 D744 Y745 Y751 F752 V1041 A1089 L1093	S743-V748 WeakPolarHBondContact OG-CG2 3.29Å; D744-V748 PolarHBondContact O-N 2.78Å; Y745-V748 PolarHBondContact O-N 3.13Å; V748-Y751 PolarHBondContact O-N 3.29Å; V748-F752 PolarHBondContact O-N 2.99Å; V748-F752 VanDerWaalsContact O-N 3.1Å; V748-V1041 HydrophobicContact CB-CG1 4.37Å; V748-V1041 HydrophobicContact CB-CG2 4.36Å; V748-V1041 HydrophobicContact CG1-CG1 3.89Å; V748-V1041 HydrophobicContact CG1-CG2 4.32Å; V748-A1089 HydrophobicContact CG1-CB 4.08Å; V748-L1093 HydrophobicContact CG1-CD1 3.55Å
749	K	90.7	Very high	90.6	Very high	43 Å²	43	35.3 Å²	35.3	19%	0.187	19%	0.192	C	C	.	.	H	α-helix	trans	-58.5	-49.9	175.2	-177.2	-176.6	-172.3	165.8	0	111.6	Y745 A746 Y751 F752 L753 E1036 P1037 S1040 V1041	Y745-K749 WeakPolarHBondContact O-CB 3.34Å; Y745-K749 PolarHBondContact O-N 3.35Å; A746-K749 PolarHBondContact O-N 3.42Å; K749-Y751 VanDerWaalsContact C-N 3.34Å; K749-Y751 PolarHBondContact O-N 3.41Å; K749-F752 PolarHBondContact O-N 3.41Å; K749-L753 HydrophobicContact CD-CD1 4.32Å; K749-L753 HydrophobicContact CG-CD1 3.77Å; K749-L753 HydrophobicContact CG-CG 4.26Å; K749-L753 WeakPolarHBondContact O-CB 3.16Å; K749-L753 VanDerWaalsContact O-CG 3.28Å; K749-L753 WeakPolarHBondContact O-CG 3.26Å; K749-L753 PolarHBondContact O-N 2.86Å; K749-E1036 IonicContact NZ-OE1 2.82Å; K749-E1036 PolarHBondContact NZ-OE1 3.49Å; K749-E1036 IonicContact NZ-OE2 3.58Å; K749-E1036 PolarHBondContact NZ-OE2 3.01Å; K749-P1037 HydrophobicContact CB-CB 4.49Å; K749-P1037 HydrophobicContact CD-CB 3.72Å; K749-S1040 WeakPolarHBondContact CD-OG 3.39Å; K749-S1040 WeakPolarHBondContact CE-OG 3.38Å; K749-S1040 WeakPolarHBondContact CG-OG 3.23Å; K749-V1041 HydrophobicContact CB-CG2 4.03Å
750	E	91.2	Very high	90.5	Very high	50 Å²	50	33.8 Å²	33.8	23%	0.234	18%	0.184	C	C	.	.	H	α-helix	trans	-58	-44	178.6	-78.3	-168.5	173.4	0	0	112.3	L711 A746 F752 L753 I754	L711-E750 WeakPolarHBondContact CB-OE2 3.4Å; A746-E750 WeakPolarHBondContact O-CG 3.2Å; A746-E750 PolarHBondContact O-N 3.02Å; E750-F752 VanDerWaalsContact C-N 3.34Å; E750-F752 PolarHBondContact O-N 3.18Å; E750-L753 PolarHBondContact O-N 2.92Å; E750-I754 WeakPolarHBondContact O-CD1 3.4Å; E750-I754 VanDerWaalsContact O-CG1 3.28Å; E750-I754 WeakPolarHBondContact O-CG1 3.45Å; E750-I754 PolarHBondContact O-N 3.32Å
751	Y	92.9	Very high	90.4	Very high	21 Å²	21	36.9 Å²	36.9	8%	0.082	20%	0.197	C	C	.	.	H	α-helix	trans	-61.4	-42.5	178.2	-174	-93.3	0	0	0	112	M734 G735 F736 K737 A747 V748 K749 I754 I755 I767 L1093	M734-Y751 HydrophobicContact CE-CD1 4.26Å; M734-Y751 HydrophobicContact CE-CD2 3.47Å; M734-Y751 VanDerWaalsContact CE-CD2 3.47Å; M734-Y751 HydrophobicContact CE-CE1 3.98Å; M734-Y751 HydrophobicContact CE-CE2 3.12Å; M734-Y751 HydrophobicContact CE-CG 4.04Å; G735-Y751 WeakPolarHBondContact O-CE2 3.31Å; G735-Y751 PolarHBondContact O-OH 3.1Å; F736-Y751 WeakPolarHBondContact CA-OH 3.24Å; K737-Y751 HydrophobicContact CB-CD1 4.48Å; K737-Y751 HydrophobicContact CB-CD2 3.98Å; K737-Y751 HydrophobicContact CB-CE1 4.34Å; K737-Y751 HydrophobicContact CB-CE2 3.81Å; K737-Y751 HydrophobicContact CB-CG 4.3Å; K737-Y751 HydrophobicContact CD-CD2 4.44Å; K737-Y751 HydrophobicContact CD-CG 4.41Å; A747-Y751 WeakPolarHBondContact O-CB 3.16Å; A747-Y751 PolarHBondContact O-N 3.02Å; A747-Y751 VanDerWaalsContact O-N 3.14Å; V748-Y751 PolarHBondContact O-N 3.29Å; K749-Y751 VanDerWaalsContact C-N 3.34Å; K749-Y751 PolarHBondContact O-N 3.41Å; Y751-I754 PolarHBondContact O-N 3.43Å; Y751-I755 HydrophobicContact CD1-CD1 4.09Å; Y751-I755 HydrophobicContact CE1-CD1 3.8Å; Y751-I755 PolarHBondContact O-N 2.77Å; Y751-I767 WeakPolarHBondContact OH-CG2 3.23Å; Y751-L1093 HydrophobicContact CD1-CD2 3.93Å; Y751-L1093 HydrophobicContact CE1-CD2 3.86Å
752	F	93	Very high	90.5	Very high	12 Å²	12	37.1 Å²	37.1	5%	0.053	20%	0.2	C	C	.	.	H	α-helix	trans	-67.1	-41.5	176.6	-177.6	-121.8	0	0	0	112.3	V748 K749 E750 I754 I755 H756 P1082 L1087 A1089 Y1092	V748-F752 PolarHBondContact O-N 2.99Å; V748-F752 VanDerWaalsContact O-N 3.1Å; K749-F752 PolarHBondContact O-N 3.41Å; E750-F752 VanDerWaalsContact C-N 3.34Å; E750-F752 PolarHBondContact O-N 3.18Å; F752-I754 VanDerWaalsContact C-N 3.28Å; F752-I754 PolarHBondContact O-N 3.39Å; F752-I755 WeakPolarHBondContact O-CB 3.37Å; F752-I755 PolarHBondContact O-N 3.49Å; F752-I755 VanDerWaalsContact O-N 3.11Å; F752-H756 AromaticContact CD1-CD2 3.82Å; F752-H756 AromaticContact CD1-NE2 3.98Å; F752-H756 AromaticContact CE1-CD2 3.57Å; F752-H756 AromaticContact CE1-NE2 3.23Å; F752-H756 WeakPolarHBondContact CE1-NE2 3.44Å; F752-H756 AromaticContact CE2-CD2 3.92Å; F752-H756 AromaticContact CE2-NE2 3.57Å; F752-H756 AromaticContact CZ-CD2 3.63Å; F752-H756 AromaticContact CZ-NE2 3Å; F752-H756 WeakPolarHBondContact CZ-NE2 3.34Å; F752-H756 PolarHBondContact O-CD2 2.96Å; F752-H756 PolarHBondContact O-N 3.04Å; F752-P1082 HydrophobicContact CE2-CB 3.92Å; F752-P1082 HydrophobicContact CE2-CG 4.47Å; F752-P1082 HydrophobicContact CZ-CB 4.15Å; F752-L1087 WeakPolarHBondContact CE1-O 3.38Å; F752-A1089 HydrophobicContact CB-CB 3.66Å; F752-A1089 HydrophobicContact CD1-CB 3.61Å; F752-A1089 HydrophobicContact CD2-CB 4.39Å; F752-A1089 HydrophobicContact CE1-CB 4.29Å; F752-A1089 HydrophobicContact CG-CB 3.65Å; F752-Y1092 AromaticContact CD2-CD1 3.83Å; F752-Y1092 HydrophobicContact CD2-CD1 3.83Å; F752-Y1092 HydrophobicContact CD2-CG 4.29Å; F752-Y1092 AromaticContact CE2-CD1 3.61Å; F752-Y1092 HydrophobicContact CE2-CD1 3.61Å; F752-Y1092 HydrophobicContact CE2-CE1 4.44Å; F752-Y1092 AromaticContact CE2-CG 3.66Å; F752-Y1092 HydrophobicContact CE2-CG 3.66Å
753	L	91.9	Very high	90.6	Very high	46 Å²	46	32.9 Å²	32.9	24%	0.241	17%	0.171	C	C	.	.	H	α-helix	trans	-64.5	-30.9	176.6	-71.1	173.5	0	0	0	113	Q712 K749 E750 H756 S757	Q712-L753 HydrophobicContact CG-CB 4.2Å; K749-L753 HydrophobicContact CD-CD1 4.32Å; K749-L753 HydrophobicContact CG-CD1 3.77Å; K749-L753 HydrophobicContact CG-CG 4.26Å; K749-L753 WeakPolarHBondContact O-CB 3.16Å; K749-L753 VanDerWaalsContact O-CG 3.28Å; K749-L753 WeakPolarHBondContact O-CG 3.26Å; K749-L753 PolarHBondContact O-N 2.86Å; E750-L753 PolarHBondContact O-N 2.92Å; L753-H756 PolarHBondContact O-N 3.3Å; L753-S757 WeakPolarHBondContact O-CB 3.23Å; L753-S757 PolarHBondContact O-N 3.4Å; L753-S757 PolarHBondContact O-OG 2.89Å
754	I	93.5	Very high	91	Very high	3 Å²	3	32 Å²	32	2%	0.015	17%	0.165	C	C	.	.	H	α-helix	trans	-64.4	-42.2	172.1	-71.2	161.1	0	0	0	110.9	L641 L711 V715 M732 M734 E750 Y751 F752 S757 G758	L641-I754 HydrophobicContact CD1-CG2 3.96Å; L711-I754 HydrophobicContact CD2-CD1 3.76Å; L711-I754 HydrophobicContact CG-CD1 3.76Å; V715-I754 HydrophobicContact CB-CG1 4.19Å; V715-I754 HydrophobicContact CG1-CG1 4.29Å; V715-I754 HydrophobicContact CG1-CG2 3.84Å; V715-I754 HydrophobicContact CG2-CD1 4.13Å; V715-I754 HydrophobicContact CG2-CG1 4.29Å; M732-I754 HydrophobicContact CE-CG2 4.01Å; M732-I754 WeakPolarHBondContact CE-O 3.36Å; M732-I754 HydrophobicContact SD-CG2 4.17Å; M734-I754 HydrophobicContact CE-CB 4.31Å; M734-I754 HydrophobicContact CE-CG2 3.84Å; M734-I754 HydrophobicContact SD-CG2 3.83Å; E750-I754 WeakPolarHBondContact O-CD1 3.4Å; E750-I754 VanDerWaalsContact O-CG1 3.28Å; E750-I754 WeakPolarHBondContact O-CG1 3.45Å; E750-I754 PolarHBondContact O-N 3.32Å; Y751-I754 PolarHBondContact O-N 3.43Å; F752-I754 VanDerWaalsContact C-N 3.28Å; F752-I754 PolarHBondContact O-N 3.39Å; I754-S757 WeakPolarHBondContact O-CB 3.49Å; I754-S757 PolarHBondContact O-N 2.87Å; I754-G758 PolarHBondContact O-N 3.08Å
755	I	93.6	Very high	91.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.5	-46.3	176.4	-64.5	169.3	0	0	0	110	M734 Y751 F752 S757 G758 F759 V765 I767 P1082 Y1092 L1096	M734-I755 HydrophobicContact CE-CG1 4.07Å; M734-I755 HydrophobicContact SD-CG1 3.97Å; Y751-I755 HydrophobicContact CD1-CD1 4.09Å; Y751-I755 HydrophobicContact CE1-CD1 3.8Å; Y751-I755 PolarHBondContact O-N 2.77Å; F752-I755 WeakPolarHBondContact O-CB 3.37Å; F752-I755 PolarHBondContact O-N 3.49Å; F752-I755 VanDerWaalsContact O-N 3.11Å; I755-S757 VanDerWaalsContact C-N 3.35Å; I755-S757 PolarHBondContact O-N 2.93Å; I755-G758 PolarHBondContact O-N 3.47Å; I755-F759 HydrophobicContact CG2-CD2 4.04Å; I755-F759 HydrophobicContact CG2-CE2 3.62Å; I755-F759 VanDerWaalsContact O-CD2 3.25Å; I755-F759 WeakPolarHBondContact O-CD2 3.34Å; I755-F759 PolarHBondContact O-N 2.88Å; I755-V765 HydrophobicContact CG2-CG1 4.45Å; I755-I767 HydrophobicContact CD1-CD1 3.72Å; I755-I767 HydrophobicContact CG1-CD1 4.24Å; I755-P1082 HydrophobicContact CG2-CG 4.19Å; I755-Y1092 HydrophobicContact CD1-CE1 4.11Å; I755-Y1092 HydrophobicContact CG2-CE1 4.11Å; I755-L1096 HydrophobicContact CD1-CD1 4.45Å
756	H	91.8	Very high	91.6	Very high	12 Å²	12	22.6 Å²	22.6	6%	0.056	12%	0.121	C	C	.	.	H	α-helix	trans	-56.2	-47.4	172.5	-85.8	-74.8	0	0	0	112.3	H117 F752 L753 G758 F759 D760	H117-H756 AromaticContact CE1-CE1 3.61Å; H117-H756 AromaticContact CE1-CG 3.93Å; H117-H756 AromaticContact CE1-ND1 2.96Å; H117-H756 PolarHBondContact CE1-ND1 3.43Å; H117-H756 AromaticContact NE2-CE1 3.95Å; H117-H756 AromaticContact NE2-CG 3.86Å; H117-H756 AromaticContact NE2-ND1 2.98Å; H117-H756 PolarHBondContact NE2-ND1 3.38Å; F752-H756 AromaticContact CD1-CD2 3.82Å; F752-H756 AromaticContact CD1-NE2 3.98Å; F752-H756 AromaticContact CE1-CD2 3.57Å; F752-H756 AromaticContact CE1-NE2 3.23Å; F752-H756 WeakPolarHBondContact CE1-NE2 3.44Å; F752-H756 AromaticContact CE2-CD2 3.92Å; F752-H756 AromaticContact CE2-NE2 3.57Å; F752-H756 AromaticContact CZ-CD2 3.63Å; F752-H756 AromaticContact CZ-NE2 3Å; F752-H756 WeakPolarHBondContact CZ-NE2 3.34Å; F752-H756 PolarHBondContact O-CD2 2.96Å; F752-H756 PolarHBondContact O-N 3.04Å; L753-H756 PolarHBondContact O-N 3.3Å; H756-G758 VanDerWaalsContact C-N 3.28Å; H756-G758 PolarHBondContact O-N 3.02Å; H756-F759 PolarHBondContact O-N 3.42Å; H756-D760 PolarHBondContact O-N 3.23Å
757	S	91.3	Very high	91.9	Very high	9 Å²	9	20.9 Å²	20.9	6%	0.063	11%	0.107	C	C	.	.	H	α-helix	trans	-57.6	-42.2	178.8	-57.1	0	0	0	0	111.1	L753 I754 I755 F759 D760 F761	L753-S757 WeakPolarHBondContact O-CB 3.23Å; L753-S757 PolarHBondContact O-N 3.4Å; L753-S757 PolarHBondContact O-OG 2.89Å; I754-S757 WeakPolarHBondContact O-CB 3.49Å; I754-S757 PolarHBondContact O-N 2.87Å; I755-S757 VanDerWaalsContact C-N 3.35Å; I755-S757 PolarHBondContact O-N 2.93Å; S757-F759 VanDerWaalsContact C-N 3.31Å; S757-F759 PolarHBondContact O-N 3.09Å; S757-D760 PolarHBondContact O-N 3.19Å; S757-F761 WeakPolarHBondContact O-CD2 3.47Å; S757-F761 PolarHBondContact O-N 3.4Å; S757-F761 VanDerWaalsContact O-N 3.13Å
758	G	91.6	Very high	92.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-56.3	-43.4	175.4	0	0	0	0	0	113.4	I754 I755 H756 K763	I754-G758 PolarHBondContact O-N 3.08Å; I755-G758 PolarHBondContact O-N 3.47Å; H756-G758 VanDerWaalsContact C-N 3.28Å; H756-G758 PolarHBondContact O-N 3.02Å; G758-K763 WeakPolarHBondContact O-CB 3.36Å; G758-K763 PolarHBondContact O-N 3.46Å; G758-K763 VanDerWaalsContact O-N 3.12Å
759	F	91.5	Very high	92.2	Very high	1 Å²	1	20.7 Å²	20.7	0%	0.004	10%	0.099	C	C	.	.	H	α-helix	trans	-73.9	-37.4	177	-66.6	-58.5	0	0	0	112.9	L113 I755 H756 S757 F761 N762 V765 V1081 P1082 R1110	L113-F759 HydrophobicContact CD1-CD1 3.79Å; L113-F759 HydrophobicContact CD1-CE1 4.34Å; L113-F759 HydrophobicContact CD2-CB 4.21Å; L113-F759 HydrophobicContact CD2-CD1 4.01Å; L113-F759 VanDerWaalsContact CD2-O 3.25Å; L113-F759 WeakPolarHBondContact CD2-O 3.25Å; L113-F759 HydrophobicContact CG-CD1 4.37Å; I755-F759 HydrophobicContact CG2-CD2 4.04Å; I755-F759 HydrophobicContact CG2-CE2 3.62Å; I755-F759 VanDerWaalsContact O-CD2 3.25Å; I755-F759 WeakPolarHBondContact O-CD2 3.34Å; I755-F759 PolarHBondContact O-N 2.88Å; H756-F759 PolarHBondContact O-N 3.42Å; S757-F759 VanDerWaalsContact C-N 3.31Å; S757-F759 PolarHBondContact O-N 3.09Å; F759-F761 PolarHBondContact O-N 3.05Å; F759-N762 PolarHBondContact O-N 3.35Å; F759-V765 HydrophobicContact CD1-CG2 3.8Å; F759-V765 HydrophobicContact CD2-CG2 4.21Å; F759-V765 HydrophobicContact CE1-CB 3.93Å; F759-V765 HydrophobicContact CE1-CG2 3.68Å; F759-V765 HydrophobicContact CE2-CB 4.3Å; F759-V765 HydrophobicContact CE2-CG2 4.09Å; F759-V765 HydrophobicContact CG-CG2 4.09Å; F759-V765 HydrophobicContact CZ-CB 3.8Å; F759-V765 HydrophobicContact CZ-CG1 4.48Å; F759-V765 HydrophobicContact CZ-CG2 3.84Å; F759-V1081 HydrophobicContact CD2-CG1 4.42Å; F759-V1081 HydrophobicContact CE1-CG2 4.44Å; F759-V1081 HydrophobicContact CG-CG1 4.38Å; F759-P1082 HydrophobicContact CD2-CG 4.09Å; F759-P1082 HydrophobicContact CE2-CG 4.04Å; F759-R1110 HydrophobicContact CE1-CB 3.97Å; F759-R1110 HydrophobicContact CE1-CG 3.72Å; F759-R1110 HydrophobicContact CZ-CB 4.03Å; F759-R1110 HydrophobicContact CZ-CG 3.99Å
760	D	88.5	Confident	91.8	Very high	45 Å²	45	21.2 Å²	21.2	24%	0.241	10%	0.103	C	C	.	.	H	α-helix	trans	-56.8	-36.5	174.9	-80.4	-21.9	0	0	0	111.8	H117 V119 H756 S757 N762 K1084	H117-D760 IonicContact CD2-OD1 3.5Å; H117-D760 PolarHBondContact CD2-OD1 3.44Å; H117-D760 IonicContact NE2-OD1 2.68Å; H117-D760 PolarHBondContact NE2-OD1 3.42Å; V119-D760 WeakPolarHBondContact CG2-OD1 3.36Å; H756-D760 PolarHBondContact O-N 3.23Å; S757-D760 PolarHBondContact O-N 3.19Å; D760-N762 VanDerWaalsContact C-N 3.29Å; D760-N762 PolarHBondContact O-N 3.01Å; D760-K1084 IonicContact OD1-NZ 2.69Å; D760-K1084 PolarHBondContact OD1-NZ 2.97Å; D760-K1084 IonicContact OD2-NZ 3.59Å; D760-K1084 PolarHBondContact OD2-NZ 2.9Å
761	F	88.1	Confident	90.7	Very high	64 Å²	64	21.3 Å²	21.3	28%	0.281	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	13.6	176.2	-75.4	-75.8	0	0	0	115	L716 L719 Q720 S757 F759 K763	L716-F761 HydrophobicContact CD1-CE2 3.36Å; L716-F761 HydrophobicContact CD1-CZ 3.78Å; L719-F761 HydrophobicContact CB-CD2 3.86Å; L719-F761 HydrophobicContact CB-CE2 4.31Å; L719-F761 HydrophobicContact CB-CG 4.24Å; L719-F761 HydrophobicContact CD1-CD2 4.03Å; Q720-F761 HydrophobicContact CG-CD1 4.36Å; Q720-F761 HydrophobicContact CG-CE1 3.35Å; Q720-F761 HydrophobicContact CG-CE2 4.25Å; Q720-F761 HydrophobicContact CG-CZ 3.3Å; S757-F761 WeakPolarHBondContact O-CD2 3.47Å; S757-F761 PolarHBondContact O-N 3.4Å; S757-F761 VanDerWaalsContact O-N 3.13Å; F759-F761 PolarHBondContact O-N 3.05Å; F761-K763 HydrophobicContact CB-CG 3.88Å; F761-K763 WeakPolarHBondContact O-CD 3.29Å; F761-K763 WeakPolarHBondContact O-CE 3.48Å; F761-K763 PolarHBondContact O-N 3.36Å
762	N	89.1	Confident	88.9	Confident	57 Å²	57	25.1 Å²	25.1	31%	0.305	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	38.2	-177.1	-71.6	-20.6	0	0	0	113.5	F759 D760 N1112	F759-N762 PolarHBondContact O-N 3.35Å; D760-N762 VanDerWaalsContact C-N 3.29Å; D760-N762 PolarHBondContact O-N 3.01Å; N762-N1112 WeakPolarHBondContact O-CB 3.21Å; N762-N1112 PolarHBondContact O-ND2 3.15Å
763	K	90.8	Very high	86.4	Confident	37 Å²	37	31.8 Å²	31.8	16%	0.161	17%	0.166	C	C	.	.			trans	-100.1	151.3	177.6	-50.5	-58.6	179.7	176.9	0	110.6	L719 P729 N730 G758 F761	L719-K763 HydrophobicContact CD2-CG 4.34Å; P729-K763 WeakPolarHBondContact O-CD 3.43Å; P729-K763 VanDerWaalsContact O-CE 3.3Å; P729-K763 WeakPolarHBondContact O-CE 3.43Å; P729-K763 PolarHBondContact O-NZ 3.24Å; N730-K763 WeakPolarHBondContact O-CA 3.43Å; G758-K763 WeakPolarHBondContact O-CB 3.36Å; G758-K763 PolarHBondContact O-N 3.46Å; G758-K763 VanDerWaalsContact O-N 3.12Å; F761-K763 HydrophobicContact CB-CG 3.88Å; F761-K763 WeakPolarHBondContact O-CD 3.29Å; F761-K763 WeakPolarHBondContact O-CE 3.48Å; F761-K763 PolarHBondContact O-N 3.36Å
764	G	93.4	Very high	83.5	Confident	2 Å²	2	32.2 Å²	32.2	2%	0.021	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	138.4	163.3	0	0	0	0	0	109.8	N730 I731 M732 R1110	N730-G764 PolarHBondContact O-N 3.42Å; I731-G764 CarbonylContact C-O 3.54Å; I731-G764 VanDerWaalsContact CA-O 3.28Å; I731-G764 WeakPolarHBondContact CA-O 3.41Å; M732-G764 PolarHBondContact N-O 2.69Å; G764-R1110 CarbonylContact C-O 3.51Å; G764-R1110 WeakPolarHBondContact CA-O 3.42Å
765	V	95.6	Very high	80.4	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	127.8	179.9	-179.4	0	0	0	0	109.5	M732 I755 F759 L1109 R1110	M732-V765 HydrophobicContact CE-CG1 4.16Å; M732-V765 HydrophobicContact CE-CG2 4.29Å; M732-V765 CarbonylContact O-C 3.52Å; M732-V765 WeakPolarHBondContact O-CA 3.26Å; I755-V765 HydrophobicContact CG2-CG1 4.45Å; F759-V765 HydrophobicContact CD1-CG2 3.8Å; F759-V765 HydrophobicContact CD2-CG2 4.21Å; F759-V765 HydrophobicContact CE1-CB 3.93Å; F759-V765 HydrophobicContact CE1-CG2 3.68Å; F759-V765 HydrophobicContact CE2-CB 4.3Å; F759-V765 HydrophobicContact CE2-CG2 4.09Å; F759-V765 HydrophobicContact CG-CG2 4.09Å; F759-V765 HydrophobicContact CZ-CB 3.8Å; F759-V765 HydrophobicContact CZ-CG1 4.48Å; F759-V765 HydrophobicContact CZ-CG2 3.84Å; V765-L1109 CarbonylContact O-C 3.52Å; V765-L1109 WeakPolarHBondContact O-CA 3.18Å; V765-R1110 PolarHBondContact N-O 3.04Å; V765-R1110 PolarHBondContact O-N 3.44Å
766	G	95.5	Very high	77.1	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	132.4	176.9	0	0	0	0	0	112.1	M732 I733 M734 L1108	M732-G766 PolarHBondContact O-N 2.82Å; I733-G766 CarbonylContact C-O 3.59Å; I733-G766 VanDerWaalsContact CA-O 3.24Å; I733-G766 WeakPolarHBondContact CA-O 3.22Å; M734-G766 PolarHBondContact N-O 3.46Å; G766-L1108 CarbonylContact C-O 3.58Å; G766-L1108 VanDerWaalsContact CA-O 3.25Å; G766-L1108 WeakPolarHBondContact CA-O 3.44Å
767	I	96.2	Very high	74.2	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	114.8	176	-54.3	168.5	0	0	0	108.3	M734 F736 Y751 I755 I1079 L1096 L1108	M734-I767 HydrophobicContact CG-CG1 3.96Å; M734-I767 WeakPolarHBondContact O-CA 3.39Å; F736-I767 HydrophobicContact CB-CG2 3.95Å; F736-I767 HydrophobicContact CD2-CG2 3.87Å; F736-I767 HydrophobicContact CG-CG2 4.41Å; Y751-I767 WeakPolarHBondContact OH-CG2 3.23Å; I755-I767 HydrophobicContact CD1-CD1 3.72Å; I755-I767 HydrophobicContact CG1-CD1 4.24Å; I767-I1079 HydrophobicContact CD1-CD1 4.33Å; I767-L1096 HydrophobicContact CD1-CD1 3.61Å; I767-L1108 HydrophobicContact CB-CB 4.07Å; I767-L1108 HydrophobicContact CB-CD1 4.38Å; I767-L1108 HydrophobicContact CG2-CD1 4.5Å; I767-L1108 PolarHBondContact N-O 3.05Å; I767-L1108 WeakPolarHBondContact O-CB 3.09Å; I767-L1108 PolarHBondContact O-N 3.14Å
768	L	94.1	Very high	71.2	Confident	4 Å²	4	58 Å²	58	2%	0.021	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	119.3	-178.5	-172	66.3	0	0	0	110.5	M651 F654 M734 F736 L1105 F1107	M651-L768 HydrophobicContact CB-CD2 4.45Å; M651-L768 HydrophobicContact CE-CB 4.45Å; M651-L768 HydrophobicContact CG-CD2 4.13Å; F654-L768 HydrophobicContact CB-CD2 4.3Å; F654-L768 HydrophobicContact CD1-CD1 4.03Å; F654-L768 HydrophobicContact CD1-CD2 3.7Å; F654-L768 HydrophobicContact CE1-CD1 3.77Å; F654-L768 HydrophobicContact CE1-CD2 4.26Å; F654-L768 HydrophobicContact CG-CD2 4.1Å; F654-L768 HydrophobicContact CZ-CD1 4.1Å; M734-L768 PolarHBondContact O-N 3.27Å; F736-L768 PolarHBondContact N-O 3.38Å; L768-L1105 HydrophobicContact CD1-CD1 3.85Å; L768-L1105 HydrophobicContact CD1-CG 4.47Å; L768-L1105 HydrophobicContact CG-CD1 4.41Å; L768-F1107 HydrophobicContact CB-CD2 4.29Å; L768-F1107 HydrophobicContact CD1-CB 4.02Å; L768-F1107 HydrophobicContact CD1-CD2 4.04Å; L768-F1107 HydrophobicContact CD1-CG 4.27Å
769	R	91.7	Very high	68.2	Low	29 Å²	29	66.8 Å²	66.8	11%	0.109	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	114.6	172.1	-169.3	177.7	-177.7	137.8	2	109.8	F736 E1097 S1100 T1106	F736-R769 HydrophobicContact CB-CB 3.8Å; F736-R769 HydrophobicContact CB-CG 3.98Å; F736-R769 HydrophobicContact CD1-CG 4.27Å; F736-R769 HydrophobicContact CG-CB 4.21Å; F736-R769 HydrophobicContact CG-CG 4.1Å; R769-E1097 IonicContact CZ-OE1 2.93Å; R769-E1097 IonicContact CZ-OE2 3.3Å; R769-E1097 IonicContact NH1-OE1 3.2Å; R769-E1097 PolarHBondContact NH1-OE1 3.09Å; R769-E1097 IonicContact NH1-OE2 3.75Å; R769-E1097 PolarHBondContact NH1-OE2 2.98Å; R769-E1097 IonicContact NH2-OE1 2.7Å; R769-E1097 PolarHBondContact NH2-OE1 3.27Å; R769-E1097 IonicContact NH2-OE2 3.8Å; R769-S1100 VanDerWaalsContact CD-CB 3.49Å; R769-S1100 VanDerWaalsContact CD-OG 3.23Å; R769-S1100 WeakPolarHBondContact CD-OG 3.48Å; R769-S1100 PolarHBondContact NH1-OG 3.43Å; R769-T1106 PolarHBondContact N-O 2.93Å; R769-T1106 PolarHBondContact O-N 3.39Å; R769-T1106 VanDerWaalsContact O-N 3.15Å
770	L	82.4	Confident	65.2	Low	53 Å²	53	76.2 Å²	76.2	28%	0.277	41%	0.409	S	S	.	.			trans	-79.4	144	173.3	-64.8	166.9	0	0	0	109.2	D650 N772 F927 L1105	D650-L770 HydrophobicContact CB-CD1 4.12Å; D650-L770 HydrophobicContact CB-CD2 4.3Å; L770-N772 PolarHBondContact O-N 3.16Å; L770-F927 HydrophobicContact CD2-CE2 4.43Å; L770-F927 HydrophobicContact CD2-CZ 4.44Å; L770-L1105 HydrophobicContact CD2-CD1 3.72Å
771	S	67.6	Low	62.3	Low	52 Å²	52	83.1 Å²	83.1	36%	0.364	44%	0.44	S	S	.	.			trans	-75.6	125	-176.5	-167.7	0	0	0	0	111.5	I773 L1103	S771-I773 VanDerWaalsContact C-N 3.35Å; S771-I773 PolarHBondContact O-N 2.98Å; S771-I773 VanDerWaalsContact OG-CD1 3.25Å; S771-I773 WeakPolarHBondContact OG-CD1 3.3Å; S771-I773 WeakPolarHBondContact OG-CG1 3.46Å; S771-L1103 PolarHBondContact OG-O 2.84Å
772	N	55	Low	59.4	Low	102 Å²	102	85.8 Å²	85.8	55%	0.545	46%	0.464	S	S	.	.			trans	-90.4	33.4	-177.7	-90.2	-11.9	0	0	0	113.6	L770 A774	L770-N772 PolarHBondContact O-N 3.16Å; N772-A774 CarbonylContact O-C 3.55Å; N772-A774 PolarHBondContact O-N 3Å
773	I	41.1	Very low	56.4	Low	151 Å²	151	93.1 Å²	93.1	77%	0.774	49%	0.487	S	S	*	.			trans	-66.9	18.5	-176.2	-63.1	167.2	0	0	0	113.9	S771	S771-I773 VanDerWaalsContact C-N 3.35Å; S771-I773 PolarHBondContact O-N 2.98Å; S771-I773 VanDerWaalsContact OG-CD1 3.25Å; S771-I773 WeakPolarHBondContact OG-CD1 3.3Å; S771-I773 WeakPolarHBondContact OG-CG1 3.46Å
774	A	30.7	Very low	53.3	Low	56 Å²	56	96.7 Å²	96.7	46%	0.463	51%	0.514	S	S	.	.	S	Bend	trans	-141.8	93.7	156.7	0	0	0	0	0	110	N772 A776	N772-A774 CarbonylContact O-C 3.55Å; N772-A774 PolarHBondContact O-N 3Å; A774-A776 VanDerWaalsContact C-N 3.35Å; A774-A776 PolarHBondContact O-N 2.8Å
775	K	28.4	Very low	50.1	Low	209 Å²	209	105.5 Å²	105.5	91%	0.909	55%	0.552	S	S	*	*			trans	-57.2	98.5	159.5	-78.3	-178.9	175.8	179.1	0	107.8
776	A	25.7	Very low	46.9	Very low	82 Å²	82	111.3 Å²	111.3	68%	0.678	59%	0.588	S	S	*	*			trans	-80.8	140	150.1	0	0	0	0	0	106.8	A774 V778	A774-A776 VanDerWaalsContact C-N 3.35Å; A774-A776 PolarHBondContact O-N 2.8Å; A776-V778 PolarHBondContact O-N 3.29Å
777	P	29.3	Very low	43.6	Very low	125 Å²	125	118.7 Å²	118.7	81%	0.812	62%	0.622	S	S	*	*			trans	-59.8	139.4	-177.7	25.3	-32	0	0	0	110.1	E779	P777-E779 PolarHBondContact O-N 3.4Å
778	V	29.8	Very low	40.3	Very low	148 Å²	148	124.3 Å²	124.3	90%	0.897	66%	0.657	S	S	*	*			trans	-59.2	96	174.1	177.7	0	0	0	0	108.3	A776	A776-V778 PolarHBondContact O-N 3.29Å
779	E	27.5	Very low	37	Very low	185 Å²	185	130.1 Å²	130.1	86%	0.864	70%	0.696	S	S	*	*			trans	-83	122.2	162	-125.1	171.7	-169.8	0	0	107	P777 E781	P777-E779 PolarHBondContact O-N 3.4Å; E779-E781 PolarHBondContact O-N 2.88Å
780	K	28.2	Very low	33.7	Very low	199 Å²	199	135.9 Å²	135.9	87%	0.865	73%	0.729	S	S	*	*			trans	-39.8	124.7	-177.3	-70.3	173.9	174.9	178.2	0	111.3	P782	K780-P782 WeakPolarHBondContact O-CD 3.47Å
781	E	27.5	Very low	31.2	Very low	190 Å²	190	138.7 Å²	138.7	89%	0.888	75%	0.753	S	S	*	*			trans	-51.2	122.9	169.6	-88.3	-169	147.9	0	0	109.6	E779 R783	E779-E781 PolarHBondContact O-N 2.88Å; E781-R783 PolarHBondContact O-N 3.42Å
782	P	27.4	Very low	29.3	Very low	121 Å²	121	144.2 Å²	144.2	79%	0.786	77%	0.773	S	S	*	*			trans	-76.5	117.8	167	29.7	-26.7	0	0	0	107.8	K780	K780-P782 WeakPolarHBondContact O-CD 3.47Å
783	R	25.9	Very low	28	Very low	211 Å²	211	142.5 Å²	142.5	80%	0.796	77%	0.768	S	S	*	*			trans	23	138.9	154.9	-59.2	-178.4	-164.9	-178	3.1	119.1	E781	E781-R783 PolarHBondContact O-N 3.42Å
784	P	26	Very low	27.3	Very low	112 Å²	112	142.7 Å²	142.7	73%	0.727	77%	0.766	S	S	*	*	S	Bend	trans	-57.2	143	179	25.4	-33.1	0	0	0	111.7	T786	P784-T786 VanDerWaalsContact C-N 3.29Å; P784-T786 PolarHBondContact O-N 2.63Å; P784-T786 PolarHBondContact O-OG1 2.95Å
785	F	26.8	Very low	27.1	Very low	186 Å²	186	147.1 Å²	147.1	82%	0.816	78%	0.777	S	S	*	*	S	Bend	trans	-48	80.8	-177.5	-161	-99.4	0	0	0	112.9
786	T	27.9	Very low	27	Very low	122 Å²	122	145.5 Å²	145.5	75%	0.748	78%	0.777	S	S	*	*			trans	-139.1	32	170.6	33.3	0	0	0	0	110.3	P784	P784-T786 VanDerWaalsContact C-N 3.29Å; P784-T786 PolarHBondContact O-N 2.63Å; P784-T786 PolarHBondContact O-OG1 2.95Å
787	E	25.8	Very low	27.1	Very low	155 Å²	155	148.4 Å²	148.4	72%	0.724	78%	0.781	S	S	*	*			trans	-157.4	80.6	176.9	-107.5	161.4	-150	0	0	109.9
788	T	27.1	Very low	27	Very low	118 Å²	118	147.8 Å²	147.8	72%	0.724	78%	0.775	S	S	*	*	S	Bend	trans	-154.7	21.3	157.3	-2.8	0	0	0	0	113.3
789	C	25	Very low	26.8	Very low	126 Å²	126	148.5 Å²	148.5	85%	0.851	77%	0.773	S	S	*	*	S	Bend	trans	-112.5	-1.7	164.6	-90.2	0	0	0	0	114.1
790	N	23.3	Very low	26.8	Very low	151 Å²	151	147.6 Å²	147.6	81%	0.807	77%	0.768	S	S	*	*			trans	-128.4	87.8	-174.2	-68.3	-10.1	0	0	0	112.4
791	S	28.6	Very low	26.8	Very low	112 Å²	112	145 Å²	145	78%	0.783	76%	0.763	S	S	*	*			trans	-164.2	106.8	157.8	57.9	0	0	0	0	103.7
792	E	27.7	Very low	26.9	Very low	167 Å²	167	140.4 Å²	140.4	78%	0.78	75%	0.752	S	S	*	*	S	Bend	cis	-162.6	169.3	28.8	-82.5	173.6	148.4	0	0	107.3
793	P	29.6	Very low	26.9	Very low	66 Å²	66	139.5 Å²	139.5	43%	0.429	76%	0.755	S	S	.	*			cis	-136.4	154	-25.3	32.1	-13.5	0	0	0	114.1	F888	P793-F888 HydrophobicContact CB-CD1 4.21Å; P793-F888 HydrophobicContact CB-CD2 3.78Å; P793-F888 HydrophobicContact CB-CE1 3.88Å; P793-F888 HydrophobicContact CB-CE2 3.42Å; P793-F888 VanDerWaalsContact CB-CE2 3.42Å; P793-F888 HydrophobicContact CB-CG 4.16Å; P793-F888 HydrophobicContact CB-CZ 3.47Å; P793-F888 VanDerWaalsContact CB-CZ 3.47Å; P793-F888 HydrophobicContact CG-CB 4.02Å; P793-F888 HydrophobicContact CG-CD1 3.67Å; P793-F888 HydrophobicContact CG-CD2 3.27Å; P793-F888 HydrophobicContact CG-CE1 3.88Å; P793-F888 HydrophobicContact CG-CE2 3.51Å; P793-F888 HydrophobicContact CG-CG 3.34Å; P793-F888 HydrophobicContact CG-CZ 3.81Å
794	Q	26.2	Very low	27.1	Very low	156 Å²	156	136.5 Å²	136.5	73%	0.729	76%	0.755	S	S	*	*			trans	34.1	110	136	-61.8	172.3	-21.2	0	0	119.5	F888	Q794-F888 HydrophobicContact CB-CE2 4.35Å; Q794-F888 VanDerWaalsContact OE1-CE2 3.26Å; Q794-F888 VanDerWaalsContact OE1-CZ 3.22Å
795	Q	26.4	Very low	27.2	Very low	149 Å²	149	137.6 Å²	137.6	70%	0.696	75%	0.752	S	S	*	*				-178.5	91.5	127.1	-98.7	174.8	24.4	0	0	108.1
796	L	25.8	Very low	27.3	Very low	174 Å²	174	138.1 Å²	138.1	91%	0.911	75%	0.749	S	S	*	*				-179.2	106.4	122.4	-139.4	72.5	0	0	0	108
797	N	27.5	Very low	27.2	Very low	143 Å²	143	138.5 Å²	138.5	77%	0.765	75%	0.751	S	S	*	*			trans	-66.6	152	175.1	-90.8	-25.1	0	0	0	111.6
798	T	27.5	Very low	27.4	Very low	113 Å²	113	135.7 Å²	135.7	69%	0.693	75%	0.748	S	S	*	*			trans	70.3	112.2	143	52.7	0	0	0	0	118.8
799	L	26.1	Very low	27.4	Very low	163 Å²	163	141.3 Å²	141.3	85%	0.853	76%	0.756	S	S	*	*				171.2	91.2	120.5	-88.3	151.5	0	0	0	106.6
800	H	27	Very low	27.4	Very low	165 Å²	165	146.1 Å²	146.1	76%	0.764	76%	0.756	S	S	*	*				29.8	98.6	86.4	-89.9	-78.1	0	0	0	112.3
801	L	27.8	Very low	27.7	Very low	144 Å²	144	143.4 Å²	143.4	75%	0.754	75%	0.749	S	S	*	*				170.6	148.3	100.3	-124.6	76.3	0	0	0	110.7
802	S	29.3	Very low	27.6	Very low	94 Å²	94	144.1 Å²	144.1	66%	0.657	75%	0.749	S	S	*	*			trans	-8.6	128.3	154.7	40.8	0	0	0	0	117.3	D804	S802-D804 PolarHBondContact O-N 2.69Å; S802-D804 VanDerWaalsContact O-N 3.1Å
803	A	28.8	Very low	27.7	Very low	103 Å²	103	144 Å²	144	85%	0.851	75%	0.753	S	S	*	*			trans	-61.2	106.1	159.6	0	0	0	0	0	109.7
804	D	29.8	Very low	27.7	Very low	148 Å²	148	145.6 Å²	145.6	79%	0.791	77%	0.766	S	S	*	*			trans	-142.4	126.7	147.5	-109.9	-27.3	0	0	0	110.2	S802	S802-D804 PolarHBondContact O-N 2.69Å; S802-D804 VanDerWaalsContact O-N 3.1Å
805	M	27.7	Very low	27.7	Very low	134 Å²	134	144.7 Å²	144.7	66%	0.66	77%	0.771	S	S	*	*			trans	59.7	114.5	154.4	-73.2	-160.8	-175	0	0	122.6
806	R	28.1	Very low	27.7	Very low	198 Å²	198	142.4 Å²	142.4	75%	0.747	77%	0.772	S	S	*	*				85.2	111.9	120.2	-71.3	177.9	-179.9	168.5	1.4	119.5
807	T	26.9	Very low	27.8	Very low	130 Å²	130	143.7 Å²	143.7	80%	0.798	77%	0.773	S	S	*	*			trans	64.9	114.8	130.8	58.1	0	0	0	0	119.3
808	S	28.6	Very low	27.9	Very low	95 Å²	95	141.4 Å²	141.4	66%	0.664	77%	0.768	S	S	*	*				138	119.8	111.2	-168.1	0	0	0	0	113.3
809	R	27.1	Very low	28.1	Very low	236 Å²	236	142.4 Å²	142.4	89%	0.891	77%	0.774	S	S	*	*			trans	66.7	149.3	153.4	-70	169.5	178.4	-171.7	-0.8	117.8
810	R	26.3	Very low	28.3	Very low	227 Å²	227	142.4 Å²	142.4	86%	0.857	77%	0.769	S	S	*	*			cis	-179.4	157.2	-24.2	-157.7	173.6	-169	179.3	2.9	103
811	S	29.8	Very low	28.5	Very low	94 Å²	94	138.4 Å²	138.4	66%	0.657	76%	0.76	S	S	*	*			trans	69.9	99.8	163.5	45.5	0	0	0	0	117.9
812	T	26.6	Very low	28.6	Very low	128 Å²	128	139.6 Å²	139.6	79%	0.785	76%	0.759	S	S	*	*				77.5	109.8	74.8	58	0	0	0	0	114.6
813	L	28.4	Very low	28.7	Very low	165 Å²	165	138.5 Å²	138.5	86%	0.864	75%	0.752	S	S	*	*				-160.8	109.1	128.5	-135.7	77.3	0	0	0	112.9
814	S	30	Very low	29	Very low	99 Å²	99	138 Å²	138	69%	0.692	73%	0.734	S	S	*	*			trans	38.5	100.3	145.4	63.1	0	0	0	0	122.8
815	T	26.5	Very low	28.9	Very low	136 Å²	136	137.3 Å²	137.3	83%	0.834	72%	0.724	S	S	*	*				-2.1	130.6	124.1	-28.9	0	0	0	0	120
816	S	26	Very low	29.2	Very low	102 Å²	102	134 Å²	134	71%	0.713	72%	0.718	S	S	*	*				137.7	93.1	121.9	77.7	0	0	0	0	112.7
817	Q	27	Very low	29.6	Very low	200 Å²	200	132.3 Å²	132.3	94%	0.935	72%	0.719	S	S	*	*			trans	172.7	82.8	158.1	-99.6	167.5	21.8	0	0	109.5
818	S	29.9	Very low	29.7	Very low	95 Å²	95	136 Å²	136	66%	0.664	72%	0.718	S	S	*	*			trans	-165.8	5.1	166.9	55	0	0	0	0	117.8
819	V	32.5	Very low	29.9	Very low	135 Å²	135	136.8 Å²	136.8	82%	0.818	71%	0.714	S	S	*	*	S	Bend	trans	-84.3	-13.2	-178.6	-174.2	0	0	0	0	113.3
820	E	29.9	Very low	30.3	Very low	163 Å²	163	134.5 Å²	134.5	76%	0.762	71%	0.705	S	S	*	*	S	Bend	trans	-93.2	-11.8	-175.9	-77.2	-174.5	147.2	0	0	115.9	S823	E820-S823 PolarHBondContact O-OG 3.37Å
821	S	31	Very low	30.7	Very low	80 Å²	80	127.1 Å²	127.1	56%	0.559	69%	0.687	S	S	*	*	H	α-helix	trans	-89.3	-20.9	-174.4	32.7	0	0	0	0	114.5
822	F	31.3	Very low	31.1	Very low	170 Å²	170	127.2 Å²	127.2	75%	0.746	68%	0.684	S	S	*	*	H	α-helix	trans	-84.5	-30.4	-179.7	-116.3	-91.4	0	0	0	114.1	I824 F825 A826	F822-I824 VanDerWaalsContact C-N 3.32Å; F822-I824 PolarHBondContact O-N 2.92Å; F822-F825 PolarHBondContact O-N 3.03Å; F822-A826 PolarHBondContact O-N 2.78Å
823	S	31.1	Very low	31.9	Very low	71 Å²	71	125.6 Å²	125.6	50%	0.497	67%	0.667	S	S	.	*	H	α-helix	trans	-69.7	-30.7	176.5	61	0	0	0	0	112.4	E820	E820-S823 PolarHBondContact O-OG 3.37Å
824	I	33.7	Very low	32.4	Very low	92 Å²	92	120.5 Å²	120.5	47%	0.472	65%	0.645	S	S	.	*	H	α-helix	trans	-77.8	-27.7	178.7	-63.4	177.1	0	0	0	111.9	F822	F822-I824 VanDerWaalsContact C-N 3.32Å; F822-I824 PolarHBondContact O-N 2.92Å
825	F	29.3	Very low	33	Very low	133 Å²	133	119.9 Å²	119.9	58%	0.583	63%	0.632	S	S	*	*	H	α-helix	trans	-78.4	-38.4	176.3	-165.6	-103.6	0	0	0	112.3	F822 Q827 R828 L829	F822-F825 PolarHBondContact O-N 3.03Å; F825-Q827 VanDerWaalsContact C-N 3.27Å; F825-Q827 PolarHBondContact O-N 3.48Å; F825-R828 PolarHBondContact O-N 3.38Å; F825-R828 VanDerWaalsContact O-N 3.12Å; F825-L829 HydrophobicContact CD1-CD1 4.08Å; F825-L829 HydrophobicContact CE1-CD1 3.45Å; F825-L829 VanDerWaalsContact CE1-CD1 3.45Å; F825-L829 HydrophobicContact CE2-CD1 4.41Å; F825-L829 HydrophobicContact CZ-CD1 3.65Å
826	A	34.2	Very low	33.7	Very low	66 Å²	66	117.7 Å²	117.7	55%	0.545	62%	0.615	S	S	.	*	H	α-helix	trans	-65.3	-27.1	176.6	0	0	0	0	0	113.5	F822	F822-A826 PolarHBondContact O-N 2.78Å
827	Q	34.7	Very low	34.5	Very low	162 Å²	162	119.4 Å²	119.4	76%	0.757	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-15.6	174.1	-80.5	-178.2	-15.2	0	0	114.3	F825	F825-Q827 VanDerWaalsContact C-N 3.27Å; F825-Q827 PolarHBondContact O-N 3.48Å
828	R	30.4	Very low	35.2	Very low	208 Å²	208	116 Å²	116	79%	0.785	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-14.3	-175.8	-95.1	177.7	173.3	163.9	-0.8	115.2	F825	F825-R828 PolarHBondContact O-N 3.38Å; F825-R828 VanDerWaalsContact O-N 3.12Å
829	L	31.3	Very low	35.7	Very low	111 Å²	111	115.2 Å²	115.2	58%	0.581	58%	0.579	S	S	*	*	S	Bend	trans	-101.5	-1.2	-176.1	-92.7	150.3	0	0	0	114.8	F825	F825-L829 HydrophobicContact CD1-CD1 4.08Å; F825-L829 HydrophobicContact CE1-CD1 3.45Å; F825-L829 VanDerWaalsContact CE1-CD1 3.45Å; F825-L829 HydrophobicContact CE2-CD1 4.41Å; F825-L829 HydrophobicContact CZ-CD1 3.65Å
830	W	36.1	Very low	35.9	Very low	187 Å²	187	111.4 Å²	111.4	71%	0.708	56%	0.561	S	S	*	*	S	Bend	trans	-135.1	125.7	-175.7	-66.1	99.6	0	0	0	112.1	T832	W830-T832 PolarHBondContact O-N 3.15Å
831	P	34.4	Very low	36.3	Very low	73 Å²	73	105.1 Å²	105.1	47%	0.474	54%	0.54	S	S	.	.			trans	-63.5	128.1	176.9	17	-16.9	0	0	0	109.2	E835 L836	P831-E835 HydrophobicContact CB-CB 3.68Å; P831-L836 HydrophobicContact CG-CG 4.37Å
832	T	38.7	Very low	36.5	Very low	95 Å²	95	110.9 Å²	110.9	58%	0.583	55%	0.55	S	S	*	.			trans	-51.6	151.1	167.5	33.2	0	0	0	0	110.6	W830 S834 E835 L836	W830-T832 PolarHBondContact O-N 3.15Å; T832-S834 PolarHBondContact O-N 3.39Å; T832-S834 PolarHBondContact OG1-OG 2.85Å; T832-E835 PolarHBondContact O-N 3.11Å; T832-L836 PolarHBondContact O-N 3.03Å
833	E	43.3	Very low	36.9	Very low	94 Å²	94	107.9 Å²	107.9	44%	0.439	54%	0.54	S	S	.	.	H	α-helix	trans	-52.1	-24.6	-176.2	-160	171.2	166.7	0	0	113.7	R837	E833-R837 PolarHBondContact O-N 3.4Å
834	S	39.9	Very low	37.1	Very low	58 Å²	58	109 Å²	109	41%	0.406	54%	0.544	S	S	.	.	H	α-helix	trans	-66.1	-38.3	171.9	56.7	0	0	0	0	114.6	T832 K838	T832-S834 PolarHBondContact O-N 3.39Å; T832-S834 PolarHBondContact OG1-OG 2.85Å; S834-K838 PolarHBondContact O-N 3.09Å
835	E	41.7	Very low	37.3	Very low	86 Å²	86	111.6 Å²	111.6	40%	0.402	55%	0.554	S	S	.	*	H	α-helix	trans	-75.8	-35.6	179.4	-74.1	-63.3	123.6	0	0	111.1	P831 T832 R837 K838 T839	P831-E835 HydrophobicContact CB-CB 3.68Å; T832-E835 PolarHBondContact O-N 3.11Å; E835-R837 PolarHBondContact O-N 2.85Å; E835-K838 PolarHBondContact O-N 3.43Å; E835-K838 IonicContact OE1-NZ 3.75Å; E835-K838 PolarHBondContact OE1-NZ 2.72Å; E835-T839 PolarHBondContact O-N 2.96Å; E835-T839 VanDerWaalsContact O-N 3.1Å; E835-T839 PolarHBondContact O-OG1 3.18Å
836	L	41.3	Very low	37.6	Very low	91 Å²	91	109 Å²	109	48%	0.476	55%	0.552	S	S	.	*	H	α-helix	trans	-64.8	-35.4	172.5	-87.7	157.8	0	0	0	112.7	P831 T832 T839 A840	P831-L836 HydrophobicContact CG-CG 4.37Å; T832-L836 PolarHBondContact O-N 3.03Å; L836-T839 PolarHBondContact O-OG1 3.38Å; L836-A840 VanDerWaalsContact O-CB 3.29Å; L836-A840 WeakPolarHBondContact O-CB 3.33Å; L836-A840 PolarHBondContact O-N 3.25Å
837	R	42.7	Very low	37.7	Very low	138 Å²	138	109.7 Å²	109.7	52%	0.521	55%	0.553	S	S	.	*	H	α-helix	trans	-69.4	-34.9	174.2	-76.9	-173.1	-175	173.8	10.3	112.7	E833 E835 A840 G841	E833-R837 PolarHBondContact O-N 3.4Å; E835-R837 PolarHBondContact O-N 2.85Å; R837-A840 PolarHBondContact O-N 2.97Å; R837-G841 PolarHBondContact O-N 2.93Å
838	K	42.8	Very low	37.6	Very low	129 Å²	129	111 Å²	111	56%	0.561	56%	0.557	S	S	*	*	H	α-helix	trans	-68.8	-38.8	175.4	-71	177.1	-170.2	164.8	0	112.5	S834 E835 R842	S834-K838 PolarHBondContact O-N 3.09Å; E835-K838 PolarHBondContact O-N 3.43Å; E835-K838 IonicContact OE1-NZ 3.75Å; E835-K838 PolarHBondContact OE1-NZ 2.72Å; K838-R842 PolarHBondContact O-N 3.45Å; K838-R842 VanDerWaalsContact O-N 3.13Å
839	T	38.8	Very low	37.7	Very low	78 Å²	78	109.7 Å²	109.7	48%	0.479	56%	0.56	S	S	.	*	H	α-helix	trans	-71.2	-37.5	174.6	13.4	0	0	0	0	111.6	E835 L836 I843	E835-T839 PolarHBondContact O-N 2.96Å; E835-T839 VanDerWaalsContact O-N 3.1Å; E835-T839 PolarHBondContact O-OG1 3.18Å; L836-T839 PolarHBondContact O-OG1 3.38Å; T839-I843 WeakPolarHBondContact O-CD1 3.38Å; T839-I843 WeakPolarHBondContact O-CG1 3.31Å; T839-I843 PolarHBondContact O-N 3.42Å; T839-I843 VanDerWaalsContact O-N 3.17Å
840	A	37.8	Very low	37.7	Very low	55 Å²	55	115 Å²	115	46%	0.455	57%	0.572	S	S	.	*	H	α-helix	trans	-63.9	-42.4	173.7	0	0	0	0	0	112.1	L836 R837 I843 T844	L836-A840 VanDerWaalsContact O-CB 3.29Å; L836-A840 WeakPolarHBondContact O-CB 3.33Å; L836-A840 PolarHBondContact O-N 3.25Å; R837-A840 PolarHBondContact O-N 2.97Å; A840-I843 PolarHBondContact O-N 3.17Å; A840-T844 PolarHBondContact O-N 3.41Å; A840-T844 VanDerWaalsContact O-N 3.09Å; A840-T844 PolarHBondContact O-OG1 3.11Å
841	G	37	Very low	37.3	Very low	30 Å²	30	115 Å²	115	31%	0.309	58%	0.58	S	S	.	*	H	α-helix	trans	-60.6	-44.8	176	0	0	0	0	0	113.5	R837 I843 T844 E845	R837-G841 PolarHBondContact O-N 2.93Å; G841-I843 VanDerWaalsContact C-N 3.32Å; G841-I843 PolarHBondContact O-N 2.98Å; G841-T844 WeakPolarHBondContact CA-OG1 3.46Å; G841-T844 PolarHBondContact O-N 3Å; G841-T844 PolarHBondContact O-OG1 3.48Å; G841-E845 PolarHBondContact O-N 2.81Å
842	R	35.7	Very low	37	Very low	202 Å²	202	121.1 Å²	121.1	76%	0.762	60%	0.602	S	S	*	*	H	α-helix	trans	-66.4	-28.9	176.4	-82.6	-175.4	-175.4	171.8	1.4	114	K838 S846	K838-R842 PolarHBondContact O-N 3.45Å; K838-R842 VanDerWaalsContact O-N 3.13Å; R842-S846 PolarHBondContact O-N 2.95Å; R842-S846 PolarHBondContact O-OG 2.99Å
843	I	39	Very low	36.6	Very low	107 Å²	107	120.3 Å²	120.3	55%	0.549	61%	0.613	S	S	.	*	H	α-helix	trans	-81.2	-28.3	179	-65.7	166.5	0	0	0	111.3	T839 A840 G841 S846 S847	T839-I843 WeakPolarHBondContact O-CD1 3.38Å; T839-I843 WeakPolarHBondContact O-CG1 3.31Å; T839-I843 PolarHBondContact O-N 3.42Å; T839-I843 VanDerWaalsContact O-N 3.17Å; A840-I843 PolarHBondContact O-N 3.17Å; G841-I843 VanDerWaalsContact C-N 3.32Å; G841-I843 PolarHBondContact O-N 2.98Å; I843-S846 PolarHBondContact O-OG 3.32Å; I843-S847 WeakPolarHBondContact O-CB 3.34Å; I843-S847 PolarHBondContact O-OG 3.35Å
844	T	37.3	Very low	36.1	Very low	95 Å²	95	122.4 Å²	122.4	58%	0.583	63%	0.632	S	S	*	*	H	α-helix	trans	-75.2	-31.9	173	31.7	0	0	0	0	113.6	A840 G841	A840-T844 PolarHBondContact O-N 3.41Å; A840-T844 VanDerWaalsContact O-N 3.09Å; A840-T844 PolarHBondContact O-OG1 3.11Å; G841-T844 WeakPolarHBondContact CA-OG1 3.46Å; G841-T844 PolarHBondContact O-N 3Å; G841-T844 PolarHBondContact O-OG1 3.48Å
845	E	36.1	Very low	35.8	Very low	146 Å²	146	125.2 Å²	125.2	68%	0.682	65%	0.648	S	S	*	*	H	α-helix	trans	-76.8	-34.5	176.4	-75.8	173.7	169.7	0	0	112.3	G841 S847	G841-E845 PolarHBondContact O-N 2.81Å; E845-S847 VanDerWaalsContact C-N 3.27Å; E845-S847 PolarHBondContact O-N 3.43Å
846	S	35.8	Very low	35.4	Very low	77 Å²	77	128.2 Å²	128.2	54%	0.538	67%	0.673	S	S	.	*	H	α-helix	trans	-77.6	-7.3	178	71.5	0	0	0	0	115	R842 I843	R842-S846 PolarHBondContact O-N 2.95Å; R842-S846 PolarHBondContact O-OG 2.99Å; I843-S846 PolarHBondContact O-OG 3.32Å
847	S	36.2	Very low	34.8	Very low	82 Å²	82	132.1 Å²	132.1	57%	0.573	69%	0.689	S	S	*	*	H	α-helix	trans	-113.7	-7.4	-173.9	-50.3	0	0	0	0	113.8	I843 E845	I843-S847 WeakPolarHBondContact O-CB 3.34Å; I843-S847 PolarHBondContact O-OG 3.35Å; E845-S847 VanDerWaalsContact C-N 3.27Å; E845-S847 PolarHBondContact O-N 3.43Å
848	F	33.8	Very low	34.4	Very low	190 Å²	190	133.8 Å²	133.8	83%	0.833	70%	0.7	S	S	*	*	H	α-helix	trans	-104.3	-10.2	-178.9	-143.3	-100.3	0	0	0	113.9	R850	F848-R850 PolarHBondContact O-N 3.04Å
849	E	33	Very low	34	Very low	180 Å²	180	136.6 Å²	136.6	84%	0.841	72%	0.715	S	S	*	*	S	Bend	trans	-89.9	17	176.8	-72.6	-172.6	139	0	0	114.7
850	R	29.4	Very low	33.7	Very low	222 Å²	222	137 Å²	137	84%	0.838	73%	0.734	S	S	*	*	S	Bend	trans	-112.5	16.3	-175.2	-120.8	-171.3	-96.3	-161.7	-5.6	116.6	F848	F848-R850 PolarHBondContact O-N 3.04Å
851	Q	29.6	Very low	33.5	Very low	186 Å²	186	137.9 Å²	137.9	87%	0.869	75%	0.749	S	S	*	*	S	Bend	trans	-142.2	67.5	175.6	-71.2	-172.1	-15.3	0	0	112
852	Q	28	Very low	33.5	Very low	202 Å²	202	142.5 Å²	142.5	94%	0.944	77%	0.771	S	S	*	*			trans	-160.7	114.1	157.2	-104.7	170.1	32.9	0	0	107
853	G	30.1	Very low	33.4	Very low	78 Å²	78	140.7 Å²	140.7	80%	0.804	78%	0.777	S	S	*	*			trans	171.7	90.7	-177.2	0	0	0	0	0	112.3
854	V	32.2	Very low	33.1	Very low	138 Å²	138	139.6 Å²	139.6	84%	0.836	79%	0.791	S	S	*	*			trans	-61.1	145.8	169	176.4	0	0	0	0	109.7
855	P	32.9	Very low	32.9	Very low	117 Å²	117	140.3 Å²	140.3	76%	0.76	80%	0.8	S	S	*	*			trans	-91.9	130.4	-176.1	34.5	-28.4	0	0	0	111.8
856	T	33.9	Very low	32.8	Very low	149 Å²	149	144.4 Å²	144.4	91%	0.914	81%	0.81	S	S	*	*			trans	-140.9	141.9	154.7	23.1	0	0	0	0	110.8
857	E	29.7	Very low	32.9	Very low	174 Å²	174	146.9 Å²	146.9	81%	0.813	82%	0.817	S	S	*	*			trans	-82.8	141.6	-160.8	-151	177.2	-163.9	0	0	113.2
858	K	34.4	Very low	32.8	Very low	172 Å²	172	153.9 Å²	153.9	75%	0.748	83%	0.83	S	S	*	*				152.6	118.6	125.8	-82.9	177.8	-178.8	-178.4	0	115.2
859	Q	34.3	Very low	33	Very low	189 Å²	189	150 Å²	150	88%	0.883	82%	0.824	S	S	*	*			trans	50	117	134.3	-68.7	175.9	-17.1	0	0	122.8
860	G	32.1	Very low	33	Very low	86 Å²	86	151.3 Å²	151.3	89%	0.887	82%	0.821	S	S	*	*				106.4	122.9	114.5	0	0	0	0	0	119.7
861	G	32.6	Very low	33.3	Very low	73 Å²	73	147.4 Å²	147.4	75%	0.753	81%	0.812	S	S	*	*			trans	124.5	81.6	142.6	0	0	0	0	0	120.5
862	T	36.7	Very low	33.6	Very low	128 Å²	128	143.7 Å²	143.7	79%	0.785	80%	0.803	S	S	*	*			trans	33.8	129.2	131.7	49.1	0	0	0	0	125.2
863	D	33.6	Very low	33.7	Very low	164 Å²	164	140 Å²	140	88%	0.877	79%	0.794	S	S	*	*				74.5	134.6	129.8	-68.8	-19.6	0	0	0	124.5
864	G	34.1	Very low	33.9	Very low	83 Å²	83	141.1 Å²	141.1	86%	0.856	79%	0.79	S	S	*	*			trans	155.1	93.7	153.2	0	0	0	0	0	118
865	S	33.4	Very low	34	Very low	110 Å²	110	139.8 Å²	139.8	77%	0.769	79%	0.787	S	S	*	*			trans	-76.5	149.1	175.3	166.4	0	0	0	0	114.9
866	R	33.7	Very low	33.8	Very low	233 Å²	233	139.4 Å²	139.4	88%	0.879	79%	0.787	S	S	*	*			trans	179.6	116.5	132.1	-106.1	174.1	171.9	171.9	-2.6	117.1
867	N	36.7	Very low	33.7	Very low	128 Å²	128	137.6 Å²	137.6	68%	0.684	78%	0.78	S	S	*	*				41.9	123	121.1	-80.8	-19.1	0	0	0	125
868	R	33.6	Very low	33.8	Very low	229 Å²	229	134 Å²	134	86%	0.864	77%	0.774	S	S	*	*				108.8	143.2	113.2	-87.1	-173.3	-174.6	-165.2	2.4	122.2
869	P	39.5	Very low	33.6	Very low	108 Å²	108	133.1 Å²	133.1	70%	0.701	78%	0.777	S	S	*	*			trans	-116.7	178.1	-173.5	43.8	-31.2	0	0	0	114.8
870	R	32.1	Very low	33.4	Very low	208 Å²	208	129 Å²	129	79%	0.785	77%	0.769	S	S	*	*			trans	162.5	154.2	135.3	-104.3	163.6	173.3	-150	10.2	118.7
871	H	37.1	Very low	33.2	Very low	140 Å²	140	134 Å²	134	65%	0.648	77%	0.769	S	S	*	*			trans	80	143.7	146.4	-67.3	-46.4	0	0	0	119.1
872	T	34	Very low	32.9	Very low	108 Å²	108	137.1 Å²	137.1	66%	0.663	77%	0.774	S	S	*	*			cis	-178.7	143.8	11.5	18	0	0	0	0	112.7
873	T	31.6	Very low	32.5	Very low	125 Å²	125	136.8 Å²	136.8	77%	0.767	78%	0.777	S	S	*	*			trans	44.2	152.9	136.4	57.6	0	0	0	0	122.8
874	S	33.8	Very low	32.2	Very low	102 Å²	102	133.7 Å²	133.7	71%	0.713	77%	0.774	S	S	*	*			cis	-176.8	166.3	18.2	32.2	0	0	0	0	113.7
875	S	33.7	Very low	31.9	Very low	110 Å²	110	139.4 Å²	139.4	77%	0.769	78%	0.775	S	S	*	*			trans	78.5	142.9	149.3	62.8	0	0	0	0	121.4
876	S	29.4	Very low	31.7	Very low	109 Å²	109	139.4 Å²	139.4	76%	0.762	78%	0.775	S	S	*	*			cis	176.1	163.7	-21.8	46.8	0	0	0	0	109.9
877	S	32.6	Very low	31.5	Very low	110 Å²	110	135.5 Å²	135.5	77%	0.769	77%	0.767	S	S	*	*			trans	106.7	98.3	165.7	74.8	0	0	0	0	117
878	S	29.9	Very low	31.1	Very low	100 Å²	100	135 Å²	135	70%	0.699	76%	0.759	S	S	*	*				86.7	127.1	86.6	68.8	0	0	0	0	112.3
879	L	31.6	Very low	30.8	Very low	153 Å²	153	133 Å²	133	80%	0.801	76%	0.76	S	S	*	*			cis	-161.8	151.2	43.7	-89.7	112.7	0	0	0	112
880	S	29.2	Very low	30.3	Very low	102 Å²	102	136 Å²	136	71%	0.713	77%	0.767	S	S	*	*			trans	49.2	129.5	148.8	64.9	0	0	0	0	119.8
881	E	28.4	Very low	30.1	Very low	191 Å²	191	135 Å²	135	89%	0.893	77%	0.772	S	S	*	*			cis	-144.3	130.5	31.2	-70.1	171.8	136.3	0	0	110.4
882	T	26.8	Very low	29.9	Very low	138 Å²	138	136.1 Å²	136.1	85%	0.847	78%	0.781	S	S	*	*			trans	-119.1	114.4	178	-39.8	0	0	0	0	107.5
883	S	26.8	Very low	29.8	Very low	122 Å²	122	139.5 Å²	139.5	85%	0.853	79%	0.794	S	S	*	*			trans	-149.3	140.8	159.3	-167	0	0	0	0	108
884	A	27.7	Very low	29.8	Very low	99 Å²	99	140.7 Å²	140.7	82%	0.818	80%	0.796	S	S	*	*	S	Bend	trans	87.4	26.8	-178.9	0	0	0	0	0	119.4
885	K	28.1	Very low	29.7	Very low	203 Å²	203	141 Å²	141	88%	0.883	79%	0.79	S	S	*	*	S	Bend	trans	-120.8	17	167.6	-99.9	-170.4	-179.9	-174.3	0	116.5
886	S	30	Very low	29.7	Very low	110 Å²	110	144.2 Å²	144.2	77%	0.769	79%	0.792	S	S	*	*	S	Bend	trans	-148.8	79.6	178.4	57.8	0	0	0	0	111
887	Q	28.9	Very low	30.1	Very low	151 Å²	151	148.1 Å²	148.1	71%	0.706	80%	0.798	S	S	*	*	S	Bend	trans	-153.8	17.8	167.8	-117.8	178.4	16.7	0	0	114.6
888	F	27.6	Very low	30.2	Very low	116 Å²	116	150.9 Å²	150.9	51%	0.509	80%	0.797	S	S	.	*	S	Bend	trans	-136.1	26.6	176.1	-132.8	-99.3	0	0	0	114.3	P793 Q794	P793-F888 HydrophobicContact CB-CD1 4.21Å; P793-F888 HydrophobicContact CB-CD2 3.78Å; P793-F888 HydrophobicContact CB-CE1 3.88Å; P793-F888 HydrophobicContact CB-CE2 3.42Å; P793-F888 VanDerWaalsContact CB-CE2 3.42Å; P793-F888 HydrophobicContact CB-CG 4.16Å; P793-F888 HydrophobicContact CB-CZ 3.47Å; P793-F888 VanDerWaalsContact CB-CZ 3.47Å; P793-F888 HydrophobicContact CG-CB 4.02Å; P793-F888 HydrophobicContact CG-CD1 3.67Å; P793-F888 HydrophobicContact CG-CD2 3.27Å; P793-F888 HydrophobicContact CG-CE1 3.88Å; P793-F888 HydrophobicContact CG-CE2 3.51Å; P793-F888 HydrophobicContact CG-CG 3.34Å; P793-F888 HydrophobicContact CG-CZ 3.81Å; Q794-F888 HydrophobicContact CB-CE2 4.35Å; Q794-F888 VanDerWaalsContact OE1-CE2 3.26Å; Q794-F888 VanDerWaalsContact OE1-CZ 3.22Å
889	E	28.8	Very low	30.5	Very low	189 Å²	189	153.5 Å²	153.5	88%	0.883	80%	0.795	S	S	*	*			trans	-118.2	25.6	-177.1	-127.1	175.9	-168.5	0	0	113.6
890	I	29.1	Very low	30.7	Very low	169 Å²	169	155.1 Å²	155.1	87%	0.867	80%	0.796	S	S	*	*	S	Bend	trans	-134.3	76.7	171	-55	178.8	0	0	0	108.9
891	E	27.6	Very low	31	Very low	188 Å²	188	157.7 Å²	157.7	88%	0.879	80%	0.802	S	S	*	*	S	Bend	trans	-167.8	21.6	157	-124.5	176.2	-171.9	0	0	115
892	I	31.7	Very low	31.4	Very low	164 Å²	164	149.8 Å²	149.8	84%	0.841	77%	0.771	S	S	*	*			trans	-131.1	60	175.1	-47.2	-178.1	0	0	0	110
893	L	31.9	Very low	32	Very low	178 Å²	178	148.8 Å²	148.8	93%	0.932	76%	0.76	S	S	*	*			trans	-137.8	52	164.3	-78.7	175.9	0	0	0	109.3
894	D	31.5	Very low	32.5	Very low	151 Å²	151	149.2 Å²	149.2	81%	0.807	75%	0.752	S	S	*	*	S	Bend	trans	-161.5	81.4	161.9	-151.9	14.8	0	0	0	111.6
895	N	32.1	Very low	33.3	Very low	109 Å²	109	147.4 Å²	147.4	58%	0.583	73%	0.733	S	S	*	*			trans	172.9	62.3	153.2	-100.3	-65.1	0	0	0	110.9
896	E	34.9	Very low	34.2	Very low	177 Å²	177	143.1 Å²	143.1	83%	0.827	72%	0.719	S	S	*	*	S	Bend	trans	-82.5	-9.2	167.8	-81.7	-146.3	130.2	0	0	113.8
897	E	36.9	Very low	34.9	Very low	190 Å²	190	140.1 Å²	140.1	89%	0.888	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	-11	-176.3	-79.2	-171.1	140.5	0	0	116
898	K	35.3	Very low	36	Very low	169 Å²	169	139.4 Å²	139.4	74%	0.735	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-1.8	176.2	-77.4	178.9	178.9	170.1	0	114.7
899	K	35.1	Very low	37.2	Very low	154 Å²	154	139.3 Å²	139.3	67%	0.67	70%	0.697	S	S	*	*	S	Bend	trans	-83.9	-8.5	-169.9	-124.9	172.7	-175.8	172.6	0	115.5	I903	K899-I903 WeakPolarHBondContact O-CD1 3.46Å; K899-I903 WeakPolarHBondContact O-CG1 3.5Å
900	K	36.4	Very low	38.4	Very low	188 Å²	188	138.6 Å²	138.6	82%	0.817	69%	0.686	S	S	*	*	S	Bend	trans	-85.6	-22.9	180	-83	179.5	176	173.4	0	115
901	N	35.3	Very low	39.7	Very low	155 Å²	155	139.2 Å²	139.2	83%	0.829	68%	0.677	S	S	*	*	S	Bend	trans	-96.6	-9.4	179.7	-68.5	-12.3	0	0	0	114.2
902	G	37.4	Very low	41.1	Very low	25 Å²	25	137.8 Å²	137.8	26%	0.258	67%	0.668	S	S	.	*	S	Bend	trans	-85	-9.9	176.4	0	0	0	0	0	115.3	L904 S905 I906	G902-L904 VanDerWaalsContact C-N 3.34Å; G902-L904 PolarHBondContact O-N 3.41Å; G902-S905 PolarHBondContact O-N 2.96Å; G902-S905 PolarHBondContact O-OG 3.32Å; G902-I906 WeakPolarHBondContact O-CG1 3.49Å; G902-I906 PolarHBondContact O-N 3.24Å
903	I	39.1	Very low	42	Very low	118 Å²	118	134.4 Å²	134.4	61%	0.605	65%	0.651	S	S	*	*	H	α-helix	trans	-76.1	-23.9	-174	-63	170.7	0	0	0	111.6	K899 S907	K899-I903 WeakPolarHBondContact O-CD1 3.46Å; K899-I903 WeakPolarHBondContact O-CG1 3.5Å; I903-S907 PolarHBondContact O-OG 2.71Å
904	L	36.8	Very low	42.7	Very low	130 Å²	130	130.8 Å²	130.8	68%	0.681	63%	0.629	S	S	*	*	H	α-helix	trans	-82.1	-22.1	174.9	-146.2	83.5	0	0	0	113.4	G902 S907	G902-L904 VanDerWaalsContact C-N 3.34Å; G902-L904 PolarHBondContact O-N 3.41Å; L904-S907 PolarHBondContact O-OG 3.11Å; L904-S907 VanDerWaalsContact O-OG 3.13Å
905	S	44.7	Very low	43.5	Very low	61 Å²	61	126.5 Å²	126.5	43%	0.427	62%	0.615	S	S	.	*	H	α-helix	trans	-86.1	-34.5	176.8	65.8	0	0	0	0	112.3	G902 K908 L909	G902-S905 PolarHBondContact O-N 2.96Å; G902-S905 PolarHBondContact O-OG 3.32Å; S905-K908 PolarHBondContact O-N 3.48Å; S905-L909 PolarHBondContact O-N 2.92Å
906	I	46.7	Very low	44.3	Very low	113 Å²	113	127.1 Å²	127.1	58%	0.579	61%	0.614	S	S	*	*	H	α-helix	trans	-66.9	-35.7	175.5	-67.9	170.3	0	0	0	111.5	G902 L909 R910	G902-I906 WeakPolarHBondContact O-CG1 3.49Å; G902-I906 PolarHBondContact O-N 3.24Å; I906-L909 PolarHBondContact O-N 3.42Å; I906-R910 VanDerWaalsContact O-CB 3.25Å; I906-R910 WeakPolarHBondContact O-CB 3.4Å; I906-R910 PolarHBondContact O-N 2.92Å
907	S	45.3	Very low	44.5	Very low	47 Å²	47	124.8 Å²	124.8	33%	0.329	60%	0.602	S	S	.	*	H	α-helix	trans	-69.2	-36.1	174.6	55.4	0	0	0	0	112.7	I903 L904 R910 R911	I903-S907 PolarHBondContact O-OG 2.71Å; L904-S907 PolarHBondContact O-OG 3.11Å; L904-S907 VanDerWaalsContact O-OG 3.13Å; S907-R910 PolarHBondContact O-N 2.93Å; S907-R911 WeakPolarHBondContact O-CG 3.28Å; S907-R911 PolarHBondContact O-N 3.22Å
908	K	51.7	Low	44.6	Very low	137 Å²	137	120.3 Å²	120.3	60%	0.596	59%	0.587	S	S	*	*	H	α-helix	trans	-67.3	-41.7	170.6	-77.8	-179.4	179.4	176.2	0	112.1	S905 R911 K912	S905-K908 PolarHBondContact O-N 3.48Å; K908-R911 PolarHBondContact O-N 3.31Å; K908-K912 PolarHBondContact O-N 3.31Å
909	L	53.8	Low	44.7	Very low	114 Å²	114	117.1 Å²	117.1	60%	0.597	58%	0.578	S	S	*	*	H	α-helix	trans	-64.9	-39.9	173.6	-105.1	103.3	0	0	0	111.6	S905 I906 K912 L913	S905-L909 PolarHBondContact O-N 2.92Å; I906-L909 PolarHBondContact O-N 3.42Å; L909-K912 PolarHBondContact O-N 2.93Å; L909-L913 VanDerWaalsContact O-CB 3.28Å; L909-L913 WeakPolarHBondContact O-CB 3.44Å; L909-L913 PolarHBondContact O-N 3.26Å
910	R	53.4	Low	44.8	Very low	174 Å²	174	113.5 Å²	113.5	66%	0.657	57%	0.566	S	S	*	*	H	α-helix	trans	-64.3	-43.1	176.7	-163.2	-179.4	-144.2	165.8	6.2	111.5	I906 S907 L913 E914	I906-R910 VanDerWaalsContact O-CB 3.25Å; I906-R910 WeakPolarHBondContact O-CB 3.4Å; I906-R910 PolarHBondContact O-N 2.92Å; S907-R910 PolarHBondContact O-N 2.93Å; R910-L913 PolarHBondContact O-N 2.87Å; R910-E914 VanDerWaalsContact O-CB 3.27Å; R910-E914 WeakPolarHBondContact O-CB 3.34Å; R910-E914 VanDerWaalsContact O-CG 3.29Å; R910-E914 WeakPolarHBondContact O-CG 3.16Å; R910-E914 PolarHBondContact O-N 3.42Å
911	R	55.3	Low	44.7	Very low	182 Å²	182	109.8 Å²	109.8	69%	0.687	56%	0.555	S	S	*	*	H	α-helix	trans	-64	-38.3	172.2	-75.2	-175.6	-161.9	160.6	5.5	112.6	S907 K908 A915	S907-R911 WeakPolarHBondContact O-CG 3.28Å; S907-R911 PolarHBondContact O-N 3.22Å; K908-R911 PolarHBondContact O-N 3.31Å; R911-A915 WeakPolarHBondContact O-CB 3.41Å; R911-A915 PolarHBondContact O-N 3.46Å
912	K	57.4	Low	44.8	Very low	158 Å²	158	106.5 Å²	106.5	69%	0.687	54%	0.54	S	S	*	.	H	α-helix	trans	-65	-42.6	173.6	-82	-172.7	174.4	-172.6	0	111.9	K908 L909 A915 E916	K908-K912 PolarHBondContact O-N 3.31Å; L909-K912 PolarHBondContact O-N 2.93Å; K912-A915 PolarHBondContact O-N 3.49Å; K912-E916 WeakPolarHBondContact O-CB 3.25Å; K912-E916 PolarHBondContact O-N 2.9Å
913	L	51.2	Low	45	Very low	92 Å²	92	110.8 Å²	110.8	48%	0.482	55%	0.549	S	S	.	.	H	α-helix	trans	-73.4	-29.5	179.9	-154.1	131.1	0	0	0	111.9	L909 R910 K917	L909-L913 VanDerWaalsContact O-CB 3.28Å; L909-L913 WeakPolarHBondContact O-CB 3.44Å; L909-L913 PolarHBondContact O-N 3.26Å; R910-L913 PolarHBondContact O-N 2.87Å; L913-K917 WeakPolarHBondContact O-CB 3.21Å; L913-K917 WeakPolarHBondContact O-CG 3.41Å; L913-K917 PolarHBondContact O-N 3.33Å
914	E	47.5	Very low	45.2	Very low	102 Å²	102	107.1 Å²	107.1	48%	0.477	53%	0.532	S	S	.	.	H	α-helix	trans	-72	-42.1	168.4	-78	171.5	-180	0	0	111.5	R910 K917 V918	R910-E914 VanDerWaalsContact O-CB 3.27Å; R910-E914 WeakPolarHBondContact O-CB 3.34Å; R910-E914 VanDerWaalsContact O-CG 3.29Å; R910-E914 WeakPolarHBondContact O-CG 3.16Å; R910-E914 PolarHBondContact O-N 3.42Å; E914-K917 CarbonylContact O-C 3.56Å; E914-K917 WeakPolarHBondContact O-CB 3.21Å; E914-K917 PolarHBondContact O-N 3.28Å; E914-V918 VanDerWaalsContact O-CG2 3.3Å; E914-V918 WeakPolarHBondContact O-CG2 3.32Å; E914-V918 PolarHBondContact O-N 3.41Å
915	A	47.6	Very low	45.9	Very low	61 Å²	61	105 Å²	105	50%	0.504	52%	0.518	S	S	.	.	H	α-helix	trans	-64	-39.9	173.4	0	0	0	0	0	111.7	R911 K912 V918 N919	R911-A915 WeakPolarHBondContact O-CB 3.41Å; R911-A915 PolarHBondContact O-N 3.46Å; K912-A915 PolarHBondContact O-N 3.49Å; A915-V918 PolarHBondContact O-N 3.02Å; A915-N919 WeakPolarHBondContact O-CB 3.45Å; A915-N919 PolarHBondContact O-N 3.17Å
916	E	47.6	Very low	46.7	Very low	122 Å²	122	106.1 Å²	106.1	57%	0.57	52%	0.52	S	S	*	.	H	α-helix	trans	-66	-37.8	171.2	-83.9	-172.4	148.7	0	0	112.2	K912 N919 N920	K912-E916 WeakPolarHBondContact O-CB 3.25Å; K912-E916 PolarHBondContact O-N 2.9Å; E916-N919 PolarHBondContact O-N 3.23Å; E916-N920 WeakPolarHBondContact O-CB 3.3Å; E916-N920 PolarHBondContact O-N 3.04Å; E916-N920 PolarHBondContact O-ND2 3.4Å
917	K	39.4	Very low	48	Very low	129 Å²	129	101.5 Å²	101.5	56%	0.561	50%	0.496	S	S	*	.	H	α-helix	trans	-64.7	-39.1	172.3	-85.9	177.6	177.6	177.5	0	112	L913 E914 N921	L913-K917 WeakPolarHBondContact O-CB 3.21Å; L913-K917 WeakPolarHBondContact O-CG 3.41Å; L913-K917 PolarHBondContact O-N 3.33Å; E914-K917 CarbonylContact O-C 3.56Å; E914-K917 WeakPolarHBondContact O-CB 3.21Å; E914-K917 PolarHBondContact O-N 3.28Å; K917-N921 WeakPolarHBondContact O-CB 3.41Å; K917-N921 PolarHBondContact O-N 3.31Å; K917-N921 PolarHBondContact O-ND2 3.35Å
918	V	39.5	Very low	49.2	Very low	96 Å²	96	104.7 Å²	104.7	58%	0.582	51%	0.505	S	S	*	.	H	α-helix	trans	-66.9	-46	175.4	172.5	0	0	0	0	110.2	E914 A915 N920 N921 V922	E914-V918 VanDerWaalsContact O-CG2 3.3Å; E914-V918 WeakPolarHBondContact O-CG2 3.32Å; E914-V918 PolarHBondContact O-N 3.41Å; A915-V918 PolarHBondContact O-N 3.02Å; V918-N920 PolarHBondContact O-N 3.34Å; V918-N921 PolarHBondContact O-N 3.39Å; V918-V922 WeakPolarHBondContact O-CG2 3.32Å; V918-V922 PolarHBondContact O-N 3.13Å
919	N	38.1	Very low	50.2	Low	102 Å²	102	103.8 Å²	103.8	55%	0.545	50%	0.501	S	S	.	.	H	α-helix	trans	-68.7	-33.9	179.7	-135.2	8.4	0	0	0	112.4	A915 E916 R923	A915-N919 WeakPolarHBondContact O-CB 3.45Å; A915-N919 PolarHBondContact O-N 3.17Å; E916-N919 PolarHBondContact O-N 3.23Å; N919-R923 PolarHBondContact O-N 3.23Å; N919-R923 VanDerWaalsContact O-N 3.13Å
920	N	37.1	Very low	51.3	Low	78 Å²	78	106.1 Å²	106.1	42%	0.417	50%	0.502	S	S	.	.	H	α-helix	trans	-74.8	-32.6	173.1	-75.9	-27.8	0	0	0	112.4	E916 V918 V922 R923 V924	E916-N920 WeakPolarHBondContact O-CB 3.3Å; E916-N920 PolarHBondContact O-N 3.04Å; E916-N920 PolarHBondContact O-ND2 3.4Å; V918-N920 PolarHBondContact O-N 3.34Å; N920-V922 VanDerWaalsContact C-N 3.32Å; N920-R923 PolarHBondContact O-N 2.96Å; N920-V924 WeakPolarHBondContact O-CG2 3.33Å; N920-V924 PolarHBondContact O-N 3.31Å; N920-V924 VanDerWaalsContact O-N 3.12Å
921	N	33.9	Very low	52.7	Low	110 Å²	110	100.6 Å²	100.6	59%	0.588	49%	0.485	S	S	*	.	H	α-helix	trans	-67.6	-34	172.4	-77	-12.7	0	0	0	111.6	K917 V918 V924	K917-N921 WeakPolarHBondContact O-CB 3.41Å; K917-N921 PolarHBondContact O-N 3.31Å; K917-N921 PolarHBondContact O-ND2 3.35Å; V918-N921 PolarHBondContact O-N 3.39Å; N921-V924 PolarHBondContact O-N 3.32Å
922	V	37.5	Very low	53.7	Low	86 Å²	86	101.4 Å²	101.4	52%	0.521	49%	0.493	S	S	.	.	H	α-helix	trans	-67.5	-38	172.1	175.1	0	0	0	0	111.4	V918 N920 V924 N926	V918-V922 WeakPolarHBondContact O-CG2 3.32Å; V918-V922 PolarHBondContact O-N 3.13Å; N920-V922 VanDerWaalsContact C-N 3.32Å; V922-V924 VanDerWaalsContact C-N 3.34Å; V922-V924 PolarHBondContact O-N 3.29Å; V922-N926 PolarHBondContact O-OD1 2.95Å
923	R	41.6	Very low	54.9	Low	114 Å²	114	102.7 Å²	102.7	43%	0.43	50%	0.499	S	S	.	.	H	α-helix	trans	-65.2	-33	175.1	-79.6	177.2	168.3	163	-5.3	113.8	N919 N920 E925	N919-R923 PolarHBondContact O-N 3.23Å; N919-R923 VanDerWaalsContact O-N 3.13Å; N920-R923 PolarHBondContact O-N 2.96Å; R923-E925 VanDerWaalsContact C-N 3.29Å; R923-E925 PolarHBondContact O-N 3.39Å
924	V	42.8	Very low	56.6	Low	42 Å²	42	98.3 Å²	98.3	26%	0.255	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-12	-172.6	171.1	0	0	0	0	113.6	N920 N921 V922	N920-V924 WeakPolarHBondContact O-CG2 3.33Å; N920-V924 PolarHBondContact O-N 3.31Å; N920-V924 VanDerWaalsContact O-N 3.12Å; N921-V924 PolarHBondContact O-N 3.32Å; V922-V924 VanDerWaalsContact C-N 3.34Å; V922-V924 PolarHBondContact O-N 3.29Å
925	E	51.5	Low	58.7	Low	84 Å²	84	95.7 Å²	95.7	39%	0.393	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-6.6	-177.7	-65.5	-170.9	143.3	0	0	115.2	R923 F927 Q928 K929	R923-E925 VanDerWaalsContact C-N 3.29Å; R923-E925 PolarHBondContact O-N 3.39Å; E925-F927 PolarHBondContact O-N 2.89Å; E925-Q928 PolarHBondContact O-N 3.36Å; E925-Q928 VanDerWaalsContact O-N 3.07Å; E925-K929 HydrophobicContact CB-CD 4.4Å; E925-K929 VanDerWaalsContact CD-CE 3.42Å; E925-K929 PolarHBondContact O-N 3.34Å; E925-K929 VanDerWaalsContact OE1-CE 3.26Å; E925-K929 WeakPolarHBondContact OE1-CE 3.35Å; E925-K929 IonicContact OE1-NZ 3.75Å; E925-K929 PolarHBondContact OE1-NZ 3.03Å; E925-K929 VanDerWaalsContact OE2-CE 3.28Å; E925-K929 WeakPolarHBondContact OE2-CE 3.34Å; E925-K929 IonicContact OE2-NZ 3.54Å; E925-K929 PolarHBondContact OE2-NZ 3.29Å
926	N	61.4	Low	60.9	Low	86 Å²	86	92.8 Å²	92.8	46%	0.46	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-21.5	-163.6	-76.1	-15.2	0	0	0	115.6	V922	V922-N926 PolarHBondContact O-OD1 2.95Å
927	F	73.8	Confident	63.2	Low	16 Å²	16	87 Å²	87	7%	0.07	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	2.4	-178.9	-61	-65.8	0	0	0	114	D650 N653 F654 N657 L770 E925 Y960 L1105	D650-F927 HydrophobicContact CB-CD2 4.29Å; D650-F927 HydrophobicContact CB-CE2 3.96Å; N653-F927 HydrophobicContact CB-CB 3.79Å; N653-F927 HydrophobicContact CB-CD2 4.4Å; N653-F927 HydrophobicContact CB-CG 4.47Å; F654-F927 HydrophobicContact CB-CD1 4.36Å; F654-F927 HydrophobicContact CB-CE1 4.39Å; F654-F927 HydrophobicContact CB-CG 4.42Å; F654-F927 HydrophobicContact CB-CZ 4.46Å; F654-F927 HydrophobicContact CD2-CD1 4.18Å; F654-F927 AromaticContact CD2-CE1 3.84Å; F654-F927 HydrophobicContact CD2-CE1 3.84Å; F654-F927 HydrophobicContact CD2-CZ 4.41Å; N657-F927 PolarHBondContact ND2-O 3.4Å; L770-F927 HydrophobicContact CD2-CE2 4.43Å; L770-F927 HydrophobicContact CD2-CZ 4.44Å; E925-F927 PolarHBondContact O-N 2.89Å; F927-Y960 HydrophobicContact CD1-CD1 4.29Å; F927-Y960 AromaticContact CD1-CD2 3.99Å; F927-Y960 HydrophobicContact CD1-CD2 3.99Å; F927-Y960 AromaticContact CD1-CE1 3.87Å; F927-Y960 HydrophobicContact CD1-CE1 3.87Å; F927-Y960 AromaticContact CD1-CE2 3.53Å; F927-Y960 HydrophobicContact CD1-CE2 3.53Å; F927-Y960 HydrophobicContact CD1-CG 4.34Å; F927-Y960 AromaticContact CD1-CZ 3.48Å; F927-Y960 VanDerWaalsContact CD1-CZ 3.48Å; F927-Y960 HydrophobicContact CE1-CE1 4.48Å; F927-Y960 AromaticContact CE1-CE2 3.84Å; F927-Y960 HydrophobicContact CE1-CE2 3.84Å; F927-Y960 AromaticContact CE1-CZ 3.73Å; F927-Y960 WeakPolarHBondContact O-CB 3.4Å; F927-L1105 HydrophobicContact CE1-CD2 3.53Å; F927-L1105 HydrophobicContact CZ-CD1 4.36Å; F927-L1105 HydrophobicContact CZ-CD2 3.68Å
928	Q	70.8	Confident	65.8	Low	113 Å²	113	80.8 Å²	80.8	53%	0.528	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-30.5	179.4	-67.3	-172.8	-28.8	0	0	112	E925	E925-Q928 PolarHBondContact O-N 3.36Å; E925-Q928 VanDerWaalsContact O-N 3.07Å
929	K	73.6	Confident	68.5	Low	118 Å²	118	76.2 Å²	76.2	51%	0.513	36%	0.359	S	S	.	.	S	Bend	trans	-91.6	139.3	176.8	-68.9	-177.3	178.2	171.4	0	110.8	E925	E925-K929 HydrophobicContact CB-CD 4.4Å; E925-K929 VanDerWaalsContact CD-CE 3.42Å; E925-K929 PolarHBondContact O-N 3.34Å; E925-K929 VanDerWaalsContact OE1-CE 3.26Å; E925-K929 WeakPolarHBondContact OE1-CE 3.35Å; E925-K929 IonicContact OE1-NZ 3.75Å; E925-K929 PolarHBondContact OE1-NZ 3.03Å; E925-K929 VanDerWaalsContact OE2-CE 3.28Å; E925-K929 WeakPolarHBondContact OE2-CE 3.34Å; E925-K929 IonicContact OE2-NZ 3.54Å; E925-K929 PolarHBondContact OE2-NZ 3.29Å
930	R	76.8	Confident	71	Confident	164 Å²	164	71.4 Å²	71.4	62%	0.619	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-69	133.2	176.6	-59.6	-173.3	-178.7	-162.6	-9.1	110.5	E962	R930-E962 IonicContact CZ-OE1 2.81Å; R930-E962 IonicContact CZ-OE2 2.66Å; R930-E962 IonicContact NE-OE2 3.75Å; R930-E962 IonicContact NH1-OE1 2.78Å; R930-E962 PolarHBondContact NH1-OE1 3.33Å; R930-E962 IonicContact NH1-OE2 3.18Å; R930-E962 PolarHBondContact NH1-OE2 2.9Å; R930-E962 IonicContact NH2-OE1 2.8Å; R930-E962 IonicContact NH2-OE2 3.1Å; R930-E962 PolarHBondContact NH2-OE2 2.9Å
931	I	81.7	Confident	73.6	Confident	58 Å²	58	68 Å²	68	30%	0.297	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-93.8	119	175.4	-57.4	175.3	0	0	0	108.4	A934 Y960 L961	I931-A934 HydrophobicContact CB-CB 4.17Å; I931-A934 HydrophobicContact CG2-CB 3.97Å; I931-Y960 HydrophobicContact CD1-CD2 3.98Å; I931-Y960 HydrophobicContact CD1-CE2 4.21Å; I931-Y960 HydrophobicContact CG1-CD2 4.45Å; I931-Y960 PolarHBondContact N-O 3.44Å; I931-L961 HydrophobicContact CD1-CD2 4.23Å
932	K	77.3	Confident	76.1	Confident	198 Å²	198	63.1 Å²	63.1	86%	0.861	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	133.2	175.6	-65.8	-176.2	180	-179.3	0	109.8	A934	K932-A934 PolarHBondContact O-N 3.1Å
933	K	82	Confident	78.4	Confident	186 Å²	186	59.3 Å²	59.3	81%	0.809	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	39.9	176.6	-57.4	-179.5	178.1	178.3	0	114.2
934	A	87.7	Confident	80.6	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	24%	0.244	C	C	.	.			trans	-66.1	153.6	178.1	0	0	0	0	0	112.6	I931 K932 L961 A964 K965 N1073	I931-A934 HydrophobicContact CB-CB 4.17Å; I931-A934 HydrophobicContact CG2-CB 3.97Å; K932-A934 PolarHBondContact O-N 3.1Å; A934-L961 HydrophobicContact CB-CD2 3.45Å; A934-L961 VanDerWaalsContact CB-CD2 3.45Å; A934-A964 HydrophobicContact CB-CB 3.96Å; A934-A964 CarbonylContact O-C 3.49Å; A934-A964 WeakPolarHBondContact O-CA 3.4Å; A934-A964 WeakPolarHBondContact O-CB 3.4Å; A934-K965 PolarHBondContact O-N 3.38Å; A934-N1073 VanDerWaalsContact CA-OD1 3.24Å; A934-N1073 WeakPolarHBondContact CA-OD1 3.48Å; A934-N1073 HydrophobicContact CB-CB 4.31Å
935	I	91.5	Very high	82.4	Confident	46 Å²	46	51.9 Å²	51.9	24%	0.236	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	127.5	177.5	-59.4	174.9	0	0	0	108.7	D937 R967 A1072 N1073 L1074	I935-D937 WeakPolarHBondContact CG2-OD1 3.1Å; I935-R967 HydrophobicContact CG2-CG 4.49Å; I935-A1072 HydrophobicContact CG2-CB 4.4Å; I935-N1073 PolarHBondContact N-OD1 2.93Å; I935-N1073 PolarHBondContact O-N 3.28Å; I935-L1074 PolarHBondContact O-N 2.9Å
936	I	93	Very high	84.1	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	121.9	173.6	-57.4	172.6	0	0	0	108.2	V938 P952 L955 L961 A964 K965 L966 R967 L1074	I936-V938 HydrophobicContact CG2-CG2 4.37Å; I936-P952 HydrophobicContact CD1-CB 4.5Å; I936-P952 HydrophobicContact CG2-CB 3.68Å; I936-L955 HydrophobicContact CD1-CB 4.47Å; I936-L961 HydrophobicContact CD1-CB 4.15Å; I936-L961 HydrophobicContact CD1-CD1 3.81Å; I936-L961 HydrophobicContact CG1-CD1 3.96Å; I936-A964 HydrophobicContact CD1-CB 3.68Å; I936-A964 HydrophobicContact CG1-CB 3.78Å; I936-K965 PolarHBondContact N-O 3.44Å; I936-L966 HydrophobicContact CB-CD1 3.98Å; I936-L966 HydrophobicContact CG2-CD1 3.85Å; I936-L966 CarbonylContact O-C 3.5Å; I936-L966 WeakPolarHBondContact O-CA 3.42Å; I936-R967 PolarHBondContact O-N 3.01Å; I936-L1074 WeakPolarHBondContact CA-O 3.37Å; I936-L1074 HydrophobicContact CG1-CB 4.46Å; I936-L1074 HydrophobicContact CG2-CD2 4.3Å; I936-L1074 HydrophobicContact CG2-CG 4.44Å
937	D	95.4	Very high	85.4	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	131	176	-72.3	-0.1	0	0	0	110.3	I935 R967 F969 S1069 A1072 L1074 I1075 I1076	I935-D937 WeakPolarHBondContact CG2-OD1 3.1Å; D937-R967 CarbonylContact C-O 3.57Å; D937-R967 WeakPolarHBondContact CA-O 3.45Å; D937-R967 IonicContact OD1-CZ 2.88Å; D937-R967 IonicContact OD1-NE 3.52Å; D937-R967 PolarHBondContact OD1-NE 3.47Å; D937-R967 IonicContact OD1-NH2 2.92Å; D937-R967 PolarHBondContact OD1-NH2 2.98Å; D937-R967 IonicContact OD2-CZ 3.53Å; D937-R967 IonicContact OD2-NE 2.98Å; D937-R967 IonicContact OD2-NH2 2.81Å; D937-R967 PolarHBondContact OD2-NH2 3.28Å; D937-F969 HydrophobicContact CB-CD2 4.42Å; D937-F969 HydrophobicContact CB-CE2 4Å; D937-S1069 VanDerWaalsContact OD2-CA 3.25Å; D937-S1069 WeakPolarHBondContact OD2-CA 3.25Å; D937-S1069 WeakPolarHBondContact OD2-CB 3.49Å; D937-S1069 PolarHBondContact OD2-OG 3.17Å; D937-A1072 HydrophobicContact CB-CB 4.22Å; D937-L1074 PolarHBondContact N-O 3.48Å; D937-I1075 CarbonylContact O-C 3.57Å; D937-I1075 WeakPolarHBondContact O-CA 3.43Å; D937-I1076 PolarHBondContact O-N 3.3Å
938	V	94.9	Very high	86.3	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	113.9	178.3	-175.5	0	0	0	0	108.8	I936 W940 S948 P952 L966 R967 I968 F969 I1076	I936-V938 HydrophobicContact CG2-CG2 4.37Å; V938-W940 PolarHBondContact O-N 3.07Å; V938-S948 WeakPolarHBondContact CG1-O 3.24Å; V938-P952 HydrophobicContact CG2-CB 4Å; V938-P952 HydrophobicContact CG2-CG 3.59Å; V938-L966 HydrophobicContact CG2-CD1 3.56Å; V938-R967 PolarHBondContact N-O 3.44Å; V938-I968 HydrophobicContact CB-CG1 4.3Å; V938-I968 WeakPolarHBondContact O-CA 3.45Å; V938-F969 PolarHBondContact O-N 3.34Å; V938-I1076 CarbonylContact C-O 3.57Å; V938-I1076 WeakPolarHBondContact CA-O 3.24Å
939	W	95.3	Very high	87.3	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	92	172.4	-69.5	84.8	0	0	0	109	L941 F969 F1002 L1064 I1065 H1068 S1069 I1076 V1077 T1078	W939-L941 VanDerWaalsContact C-N 3.35Å; W939-L941 HydrophobicContact CB-CD2 4.39Å; W939-L941 HydrophobicContact CB-CG 4.34Å; W939-L941 HydrophobicContact CE3-CD2 4.19Å; W939-L941 PolarHBondContact O-N 3Å; W939-F969 CarbonylContact C-O 3.54Å; W939-F969 WeakPolarHBondContact CA-O 3.46Å; W939-F969 HydrophobicContact CD2-CB 3.7Å; W939-F969 HydrophobicContact CD2-CD2 4.34Å; W939-F969 HydrophobicContact CD2-CG 4.23Å; W939-F969 AromaticContact CE2-CD2 3.85Å; W939-F969 AromaticContact CE2-CG 3.96Å; W939-F969 HydrophobicContact CE3-CB 3.57Å; W939-F969 HydrophobicContact CE3-CG 4.39Å; W939-F969 HydrophobicContact CG-CB 4.36Å; W939-F969 HydrophobicContact CH2-CB 3.9Å; W939-F969 HydrophobicContact CH2-CD1 4.14Å; W939-F969 AromaticContact CH2-CG 3.97Å; W939-F969 HydrophobicContact CH2-CG 3.97Å; W939-F969 HydrophobicContact CZ2-CB 4.07Å; W939-F969 HydrophobicContact CZ2-CD1 4.22Å; W939-F969 HydrophobicContact CZ2-CD2 4Å; W939-F969 AromaticContact CZ2-CG 3.83Å; W939-F969 HydrophobicContact CZ2-CG 3.83Å; W939-F969 HydrophobicContact CZ3-CB 3.68Å; W939-F969 HydrophobicContact CZ3-CG 4.27Å; W939-F969 AromaticContact NE1-CD2 3.97Å; W939-F1002 AromaticContact CH2-CE2 3.95Å; W939-F1002 HydrophobicContact CH2-CE2 3.95Å; W939-F1002 HydrophobicContact CZ3-CD2 4.27Å; W939-F1002 HydrophobicContact CZ3-CE2 4.12Å; W939-L1064 HydrophobicContact CH2-CB 3.49Å; W939-L1064 VanDerWaalsContact CH2-CB 3.49Å; W939-L1064 HydrophobicContact CZ3-CB 3.66Å; W939-L1064 HydrophobicContact CZ3-CD1 4.22Å; W939-I1065 HydrophobicContact CD2-CD1 4.36Å; W939-I1065 HydrophobicContact CD2-CG1 3.5Å; W939-I1065 VanDerWaalsContact CD2-CG1 3.5Å; W939-I1065 VanDerWaalsContact CE2-CG1 3.44Å; W939-I1065 HydrophobicContact CE3-CG1 3.95Å; W939-I1065 HydrophobicContact CG-CD1 4.39Å; W939-I1065 HydrophobicContact CG-CG1 3.88Å; W939-I1065 HydrophobicContact CH2-CG1 4.35Å; W939-I1065 HydrophobicContact CZ2-CB 4.25Å; W939-I1065 HydrophobicContact CZ2-CG1 3.9Å; W939-I1065 HydrophobicContact CZ3-CG1 4.34Å; W939-H1068 HydrophobicContact CZ2-CB 4.1Å; W939-S1069 PolarHBondContact NE1-OG 3.41Å; W939-I1076 PolarHBondContact N-O 2.87Å; W939-V1077 HydrophobicContact CB-CB 4.35Å; W939-V1077 HydrophobicContact CB-CG1 4.1Å; W939-V1077 HydrophobicContact CB-CG2 4.19Å; W939-V1077 HydrophobicContact CG-CG2 4.44Å; W939-T1078 PolarHBondContact O-N 3.22Å; W939-T1078 PolarHBondContact O-OG1 2.82Å
940	W	92	Very high	88.1	Confident	1 Å²	1	33 Å²	33	0%	0.004	14%	0.144	C	C	.	.			trans	-90.2	73.3	179.7	-157	16.3	0	0	0	109.9	P91 Y96 V938 Y942 D944 V949 F969 T970 L985 L988	P91-W940 HydrophobicContact CB-CD2 3.69Å; P91-W940 HydrophobicContact CB-CE3 3.83Å; P91-W940 HydrophobicContact CB-CG 4.39Å; P91-W940 HydrophobicContact CB-CH2 3.8Å; P91-W940 HydrophobicContact CB-CZ2 3.68Å; P91-W940 HydrophobicContact CB-CZ3 3.88Å; P91-W940 HydrophobicContact CG-CD2 3.68Å; P91-W940 HydrophobicContact CG-CE3 3.82Å; P91-W940 HydrophobicContact CG-CG 4.01Å; P91-W940 HydrophobicContact CG-CZ3 4.31Å; Y96-W940 HydrophobicContact CE1-CZ2 4.48Å; Y96-W940 AromaticContact CE2-CH2 3.91Å; Y96-W940 HydrophobicContact CE2-CH2 3.91Å; Y96-W940 HydrophobicContact CE2-CZ2 4.01Å; Y96-W940 AromaticContact CZ-CH2 3.86Å; Y96-W940 AromaticContact CZ-CZ2 3.65Å; Y96-W940 VanDerWaalsContact OH-CZ2 3.27Å; Y96-W940 WeakPolarHBondContact OH-CZ2 3.41Å; V938-W940 PolarHBondContact O-N 3.07Å; W940-Y942 VanDerWaalsContact CD1-O 3.28Å; W940-Y942 PolarHBondContact NE1-O 2.85Å; W940-D944 PolarHBondContact NE1-OD1 2.98Å; W940-D944 VanDerWaalsContact NE1-OD1 3.08Å; W940-V949 HydrophobicContact CD2-CG2 3.81Å; W940-V949 HydrophobicContact CE3-CG2 3.77Å; W940-V949 HydrophobicContact CG-CG2 4.47Å; W940-V949 HydrophobicContact CH2-CG2 3.99Å; W940-V949 HydrophobicContact CZ2-CG2 3.98Å; W940-V949 HydrophobicContact CZ3-CG2 3.87Å; W940-F969 PolarHBondContact N-O 2.86Å; W940-T970 VanDerWaalsContact O-CB 3.3Å; W940-T970 WeakPolarHBondContact O-CB 3.47Å; W940-T970 PolarHBondContact O-OG1 2.87Å; W940-L985 HydrophobicContact CE3-CD1 3.87Å; W940-L985 HydrophobicContact CZ3-CD1 3.57Å; W940-L988 HydrophobicContact CH2-CD2 4.06Å; W940-L988 HydrophobicContact CZ3-CD2 4.17Å
941	L	90.1	Very high	88.7	Confident	5 Å²	5	25.3 Å²	25.3	3%	0.026	12%	0.115	C	C	.	.			trans	-75.9	-35.1	-178.4	-53.7	-178.5	0	0	0	111.9	W939 I971 R1057 A1061 V1077 T1078	W939-L941 VanDerWaalsContact C-N 3.35Å; W939-L941 HydrophobicContact CB-CD2 4.39Å; W939-L941 HydrophobicContact CB-CG 4.34Å; W939-L941 HydrophobicContact CE3-CD2 4.19Å; W939-L941 PolarHBondContact O-N 3Å; L941-I971 HydrophobicContact CD2-CB 4.37Å; L941-I971 HydrophobicContact CD2-CD1 3.68Å; L941-I971 HydrophobicContact CD2-CG1 3.79Å; L941-R1057 PolarHBondContact O-NH2 2.76Å; L941-A1061 HydrophobicContact CD1-CB 4.07Å; L941-V1077 HydrophobicContact CD1-CG1 4Å; L941-T1078 WeakPolarHBondContact CA-OG1 3.36Å; L941-T1078 WeakPolarHBondContact CB-OG1 3.16Å; L941-T1078 PolarHBondContact N-OG1 3.06Å
942	Y	88	Confident	89.2	Confident	9 Å²	9	22.6 Å²	22.6	4%	0.035	10%	0.101	C	C	.	.	S	Bend	trans	-132.3	143.9	-176.5	-54.6	-71.7	0	0	0	111	E88 W940 D944 T1078 P1080	E88-Y942 HydrophobicContact CB-CD1 3.91Å; E88-Y942 HydrophobicContact CB-CE1 4.11Å; W940-Y942 VanDerWaalsContact CD1-O 3.28Å; W940-Y942 PolarHBondContact NE1-O 2.85Å; Y942-D944 PolarHBondContact O-N 3.28Å; Y942-T1078 PolarHBondContact N-OG1 3.27Å; Y942-P1080 HydrophobicContact CE2-CB 4.09Å
943	D	85.4	Confident	89.8	Confident	5 Å²	5	14.8 Å²	14.8	3%	0.027	7%	0.068	C	C	.	.			trans	-65.4	124.8	172.4	-170.6	15.2	0	0	0	110.3	K89 H95 Y96 R110 G945 R1110 Q1113	K89-D943 PolarHBondContact O-N 2.76Å; H95-D943 IonicContact CE1-OD2 2.87Å; H95-D943 IonicContact CG-OD2 2.95Å; H95-D943 IonicContact ND1-OD2 2.73Å; H95-D943 PolarHBondContact ND1-OD2 3.22Å; Y96-D943 PolarHBondContact OH-OD1 3.01Å; R110-D943 IonicContact CZ-OD1 2.72Å; R110-D943 IonicContact CZ-OD2 3.01Å; R110-D943 VanDerWaalsContact CZ-OD2 3.3Å; R110-D943 IonicContact NE-OD1 2.9Å; R110-D943 IonicContact NE-OD2 2.8Å; R110-D943 PolarHBondContact NE-OD2 2.88Å; R110-D943 IonicContact NH2-OD1 2.76Å; R110-D943 PolarHBondContact NH2-OD1 3.25Å; R110-D943 VanDerWaalsContact NH2-OD1 3.09Å; R110-D943 IonicContact NH2-OD2 2.78Å; R110-D943 PolarHBondContact NH2-OD2 2.89Å; D943-G945 PolarHBondContact OD1-N 3.37Å; D943-R1110 VanDerWaalsContact C-NH1 3.33Å; D943-R1110 PolarHBondContact O-NH1 3.04Å; D943-Q1113 PolarHBondContact O-NE2 3.06Å; D943-Q1113 PolarHBondContact O-OE1 3.02Å
944	D	86.7	Confident	90.2	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.038	C	C	.	.			trans	-131.2	17.8	-172.1	77.6	-33.3	0	0	0	113	W940 Y942 G946 S948 T1078 G1111 Q1113	W940-D944 PolarHBondContact NE1-OD1 2.98Å; W940-D944 VanDerWaalsContact NE1-OD1 3.08Å; Y942-D944 PolarHBondContact O-N 3.28Å; D944-G946 VanDerWaalsContact C-N 3.25Å; D944-G946 PolarHBondContact O-N 3.18Å; D944-G946 PolarHBondContact OD1-N 2.8Å; D944-G946 VanDerWaalsContact OD1-N 3.1Å; D944-S948 VanDerWaalsContact OD2-CB 3.22Å; D944-S948 WeakPolarHBondContact OD2-CB 3.31Å; D944-S948 PolarHBondContact OD2-N 2.76Å; D944-S948 PolarHBondContact OD2-OG 2.93Å; D944-T1078 HydrophobicContact CB-CG2 4.37Å; D944-G1111 WeakPolarHBondContact O-CA 3.49Å; D944-Q1113 VanDerWaalsContact CA-OE1 3.25Å
945	G	81.1	Confident	90.2	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	-2	-174.4	0	0	0	0	0	115.4	Y96 R110 D943 E1114 V1116	Y96-G945 WeakPolarHBondContact CE1-O 3.47Å; R110-G945 VanDerWaalsContact NH1-CA 3.33Å; D943-G945 PolarHBondContact OD1-N 3.37Å; G945-E1114 WeakPolarHBondContact CA-O 3.44Å; G945-V1116 VanDerWaalsContact O-CG2 3.32Å; G945-V1116 WeakPolarHBondContact O-CG2 3.23Å; G945-V1116 PolarHBondContact O-N 3.35Å
946	G	87.3	Confident	90.1	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.3	6.2	177	0	0	0	0	0	113.1	Y96 D944 S948 V949 L950 V1116	Y96-G946 PolarHBondContact OH-N 3.31Å; D944-G946 VanDerWaalsContact C-N 3.25Å; D944-G946 PolarHBondContact O-N 3.18Å; D944-G946 PolarHBondContact OD1-N 2.8Å; D944-G946 VanDerWaalsContact OD1-N 3.1Å; G946-S948 VanDerWaalsContact C-N 3.28Å; G946-S948 PolarHBondContact O-N 2.93Å; G946-V949 PolarHBondContact O-N 2.89Å; G946-V949 VanDerWaalsContact O-N 3.12Å; G946-L950 PolarHBondContact O-N 3.32Å; G946-V1116 VanDerWaalsContact C-CG2 3.45Å
947	L	90.1	Very high	89.7	Confident	2 Å²	2	11.5 Å²	11.5	1%	0.01	6%	0.057	C	C	.	.	H	α-helix	trans	-60.9	-40.2	-179.4	-174.1	64.7	0	0	0	111.1	Y634 I731 V949 L950 I951 L1109 V1116	Y634-L947 HydrophobicContact CE1-CD1 4.26Å; I731-L947 HydrophobicContact CD1-CD1 3.79Å; I731-L947 HydrophobicContact CD1-CD2 4.11Å; I731-L947 HydrophobicContact CG1-CD2 4.11Å; L947-V949 PolarHBondContact O-N 3.1Å; L947-L950 PolarHBondContact O-N 2.95Å; L947-I951 HydrophobicContact CD1-CD1 4.12Å; L947-I951 HydrophobicContact CD1-CG1 4.04Å; L947-I951 HydrophobicContact CG-CG1 4.25Å; L947-I951 WeakPolarHBondContact O-CG1 3.49Å; L947-I951 PolarHBondContact O-N 3.41Å; L947-I951 VanDerWaalsContact O-N 3.08Å; L947-L1109 HydrophobicContact CD2-CD1 3.98Å; L947-L1109 HydrophobicContact CD2-CD2 4.48Å; L947-L1109 HydrophobicContact CD2-CG 4.3Å; L947-L1109 HydrophobicContact CG-CD2 4.19Å; L947-L1109 HydrophobicContact CG-CG 4.49Å; L947-V1116 HydrophobicContact CB-CG2 4.28Å
948	S	91.5	Very high	88.8	Confident	0 Å²	0	16 Å²	16	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-64.7	-19.1	177.9	-64.9	0	0	0	0	114.6	V938 D944 G946 P952 T1078	V938-S948 WeakPolarHBondContact CG1-O 3.24Å; D944-S948 VanDerWaalsContact OD2-CB 3.22Å; D944-S948 WeakPolarHBondContact OD2-CB 3.31Å; D944-S948 PolarHBondContact OD2-N 2.76Å; D944-S948 PolarHBondContact OD2-OG 2.93Å; G946-S948 VanDerWaalsContact C-N 3.28Å; G946-S948 PolarHBondContact O-N 2.93Å; S948-P952 WeakPolarHBondContact O-CD 3.46Å; S948-P952 WeakPolarHBondContact O-CG 3.4Å; S948-T1078 WeakPolarHBondContact OG-CG2 3.33Å
949	V	91.1	Very high	87.9	Confident	1 Å²	1	16.6 Å²	16.6	1%	0.006	9%	0.085	C	C	.	.	H	α-helix	trans	-98	-31.9	174.7	-167.6	0	0	0	0	111.3	W940 G946 L947 P952 H953 I968 L989 I994 L1117	W940-V949 HydrophobicContact CD2-CG2 3.81Å; W940-V949 HydrophobicContact CE3-CG2 3.77Å; W940-V949 HydrophobicContact CG-CG2 4.47Å; W940-V949 HydrophobicContact CH2-CG2 3.99Å; W940-V949 HydrophobicContact CZ2-CG2 3.98Å; W940-V949 HydrophobicContact CZ3-CG2 3.87Å; G946-V949 PolarHBondContact O-N 2.89Å; G946-V949 VanDerWaalsContact O-N 3.12Å; L947-V949 PolarHBondContact O-N 3.1Å; V949-P952 WeakPolarHBondContact O-CD 3.49Å; V949-P952 VanDerWaalsContact O-CG 3.31Å; V949-P952 WeakPolarHBondContact O-CG 3.28Å; V949-H953 WeakPolarHBondContact O-CB 3.44Å; V949-H953 PolarHBondContact O-N 2.95Å; V949-I968 HydrophobicContact CG1-CD1 4.41Å; V949-L989 HydrophobicContact CG1-CD2 3.88Å; V949-I994 HydrophobicContact CB-CD1 4.47Å; V949-I994 HydrophobicContact CG1-CD1 3.52Å; V949-I994 HydrophobicContact CG1-CG2 4.27Å; V949-L1117 HydrophobicContact CB-CD1 4.49Å
950	L	90.2	Very high	87.5	Confident	19 Å²	19	16.9 Å²	16.9	10%	0.099	9%	0.086	C	C	.	.	H	α-helix	trans	-66.8	-48.5	177.8	178.6	63	0	0	0	113	Y634 G946 L947 H953 L954 V1116 L1117	Y634-L950 HydrophobicContact CD1-CD2 3.66Å; Y634-L950 HydrophobicContact CE1-CD2 3.74Å; G946-L950 PolarHBondContact O-N 3.32Å; L947-L950 PolarHBondContact O-N 2.95Å; L950-H953 WeakPolarHBondContact O-CB 3.22Å; L950-H953 PolarHBondContact O-N 3.24Å; L950-L954 HydrophobicContact CD1-CD1 4.29Å; L950-L954 HydrophobicContact CD1-CG 4.17Å; L950-L954 HydrophobicContact CG-CD1 4.13Å; L950-L954 HydrophobicContact CG-CG 4.41Å; L950-L954 WeakPolarHBondContact O-CG 3.31Å; L950-L954 PolarHBondContact O-N 3.08Å; L950-V1116 HydrophobicContact CB-CG2 4.32Å; L950-V1116 HydrophobicContact CD2-CB 4.14Å; L950-V1116 HydrophobicContact CD2-CG2 3.97Å; L950-L1117 HydrophobicContact CB-CD1 4.08Å; L950-L1117 HydrophobicContact CB-CG 4.37Å; L950-L1117 HydrophobicContact CD1-CD2 4.12Å
951	I	91.5	Very high	87.2	Confident	2 Å²	2	16.9 Å²	16.9	1%	0.01	9%	0.086	C	C	.	.	H	α-helix	trans	-56.2	-50.7	-179.5	-62.1	-62.1	0	0	0	113.2	P636 I658 I731 L947 H953 L954 L955 I1076 F1107 L1109	P636-I951 HydrophobicContact CB-CD1 4.41Å; I658-I951 HydrophobicContact CD1-CG2 4.04Å; I658-I951 HydrophobicContact CG1-CG2 4.35Å; I658-I951 HydrophobicContact CG2-CD1 3.7Å; I658-I951 HydrophobicContact CG2-CG2 4.35Å; I731-I951 HydrophobicContact CD1-CD1 4.48Å; L947-I951 HydrophobicContact CD1-CD1 4.12Å; L947-I951 HydrophobicContact CD1-CG1 4.04Å; L947-I951 HydrophobicContact CG-CG1 4.25Å; L947-I951 WeakPolarHBondContact O-CG1 3.49Å; L947-I951 PolarHBondContact O-N 3.41Å; L947-I951 VanDerWaalsContact O-N 3.08Å; I951-H953 VanDerWaalsContact C-N 3.29Å; I951-H953 PolarHBondContact O-N 3.18Å; I951-L954 PolarHBondContact O-N 2.86Å; I951-L955 HydrophobicContact CG2-CD1 4.2Å; I951-L955 WeakPolarHBondContact O-CG 3.32Å; I951-L955 PolarHBondContact O-N 3.06Å; I951-I1076 HydrophobicContact CG2-CD1 4.34Å; I951-F1107 HydrophobicContact CG2-CE1 4.2Å; I951-L1109 HydrophobicContact CB-CD2 4.29Å; I951-L1109 HydrophobicContact CG1-CD2 3.84Å
952	P	91.9	Very high	87	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-67.3	-31.7	178.3	25.6	-32.9	0	0	0	112.2	I936 V938 S948 V949 L955 S956 L966 I1076	I936-P952 HydrophobicContact CD1-CB 4.5Å; I936-P952 HydrophobicContact CG2-CB 3.68Å; V938-P952 HydrophobicContact CG2-CB 4Å; V938-P952 HydrophobicContact CG2-CG 3.59Å; S948-P952 WeakPolarHBondContact O-CD 3.46Å; S948-P952 WeakPolarHBondContact O-CG 3.4Å; V949-P952 WeakPolarHBondContact O-CD 3.49Å; V949-P952 VanDerWaalsContact O-CG 3.31Å; V949-P952 WeakPolarHBondContact O-CG 3.28Å; P952-L955 PolarHBondContact O-N 2.85Å; P952-S956 WeakPolarHBondContact O-CB 3.42Å; P952-S956 PolarHBondContact O-N 2.92Å; P952-L966 HydrophobicContact CB-CD1 3.7Å; P952-L966 HydrophobicContact CG-CD1 4.13Å; P952-I1076 HydrophobicContact CB-CD1 3.69Å; P952-I1076 HydrophobicContact CG-CD1 3.8Å
953	H	89.7	Confident	86.8	Confident	34 Å²	34	23.5 Å²	23.5	16%	0.157	13%	0.128	C	C	.	.	H	α-helix	trans	-60.8	-47.9	172.7	-176.3	67.5	0	0	0	111.5	V949 L950 I951 L955 S956 Q957 I994	V949-H953 WeakPolarHBondContact O-CB 3.44Å; V949-H953 PolarHBondContact O-N 2.95Å; L950-H953 WeakPolarHBondContact O-CB 3.22Å; L950-H953 PolarHBondContact O-N 3.24Å; I951-H953 VanDerWaalsContact C-N 3.29Å; I951-H953 PolarHBondContact O-N 3.18Å; H953-L955 VanDerWaalsContact C-N 3.32Å; H953-L955 PolarHBondContact O-N 2.87Å; H953-S956 PolarHBondContact O-N 2.89Å; H953-S956 VanDerWaalsContact O-N 3.08Å; H953-S956 PolarHBondContact O-OG 3.4Å; H953-Q957 PolarHBondContact NE2-NE2 3.21Å; H953-Q957 WeakPolarHBondContact O-CG 3.27Å; H953-Q957 PolarHBondContact O-N 3.34Å; H953-Q957 VanDerWaalsContact O-N 3.11Å; H953-I994 HydrophobicContact CB-CG2 4.45Å
954	L	89.3	Confident	87	Confident	35 Å²	35	23.9 Å²	23.9	18%	0.183	13%	0.131	C	C	.	.	H	α-helix	trans	-61.3	-37.9	176.2	-67.3	174.6	0	0	0	112.8	P636 L950 I951 S956	P636-L954 HydrophobicContact CG-CD1 3.92Å; L950-L954 HydrophobicContact CD1-CD1 4.29Å; L950-L954 HydrophobicContact CD1-CG 4.17Å; L950-L954 HydrophobicContact CG-CD1 4.13Å; L950-L954 HydrophobicContact CG-CG 4.41Å; L950-L954 WeakPolarHBondContact O-CG 3.31Å; L950-L954 PolarHBondContact O-N 3.08Å; I951-L954 PolarHBondContact O-N 2.86Å; L954-S956 VanDerWaalsContact C-N 3.32Å
955	L	89.1	Confident	87.3	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-69.7	-27.6	174.8	-73	173	0	0	0	113.1	F654 N657 I658 I936 I951 P952 H953 Y960 L961 L1074	F654-L955 HydrophobicContact CE2-CD1 4.41Å; F654-L955 HydrophobicContact CZ-CD1 4.4Å; N657-L955 HydrophobicContact CB-CD2 4.02Å; I658-L955 HydrophobicContact CG1-CD1 4.29Å; I658-L955 HydrophobicContact CG1-CD2 3.88Å; I658-L955 HydrophobicContact CG1-CG 4.19Å; I936-L955 HydrophobicContact CD1-CB 4.47Å; I951-L955 HydrophobicContact CG2-CD1 4.2Å; I951-L955 WeakPolarHBondContact O-CG 3.32Å; I951-L955 PolarHBondContact O-N 3.06Å; P952-L955 PolarHBondContact O-N 2.85Å; H953-L955 VanDerWaalsContact C-N 3.32Å; H953-L955 PolarHBondContact O-N 2.87Å; L955-Y960 HydrophobicContact CD2-CE1 4.19Å; L955-L961 CarbonylContact O-C 3.56Å; L955-L1074 HydrophobicContact CD1-CD2 3.64Å
956	S	88.3	Confident	87.8	Confident	19 Å²	19	30 Å²	30	13%	0.133	16%	0.158	C	C	.	.	H	α-helix	trans	-81.7	-27.7	179.8	75.4	0	0	0	0	114	P952 H953 L954 E962 S963	P952-S956 WeakPolarHBondContact O-CB 3.42Å; P952-S956 PolarHBondContact O-N 2.92Å; H953-S956 PolarHBondContact O-N 2.89Å; H953-S956 VanDerWaalsContact O-N 3.08Å; H953-S956 PolarHBondContact O-OG 3.4Å; L954-S956 VanDerWaalsContact C-N 3.32Å; S956-E962 WeakPolarHBondContact O-CA 3.43Å; S956-S963 PolarHBondContact O-N 3.3Å
957	Q	84.9	Confident	88.2	Confident	109 Å²	109	32.7 Å²	32.7	51%	0.509	17%	0.168	S	C	.	.	H	α-helix	trans	-70.4	-39.1	-178.9	-75.7	-173.2	-14.3	0	0	112	H953	H953-Q957 PolarHBondContact NE2-NE2 3.21Å; H953-Q957 WeakPolarHBondContact O-CG 3.27Å; H953-Q957 PolarHBondContact O-N 3.34Å; H953-Q957 VanDerWaalsContact O-N 3.11Å
958	E	76.2	Confident	88.3	Confident	95 Å²	95	32.6 Å²	32.6	44%	0.444	17%	0.168	S	C	.	.	S	Bend	trans	-147.5	162.8	-177.8	-62.5	-173.2	161.7	0	0	111.2	R660	R660-E958 VanDerWaalsContact CZ-CB 3.43Å; R660-E958 PolarHBondContact NH1-O 2.87Å; R660-E958 IonicContact NH1-OE2 3.5Å; R660-E958 PolarHBondContact NH2-O 3.13Å
959	G	77	Confident	88.4	Confident	13 Å²	13	32.7 Å²	32.7	13%	0.134	17%	0.168	C	C	.	.	S	Bend	trans	81.6	-142.6	168	0	0	0	0	0	116	R660 L961 E962	R660-G959 VanDerWaalsContact NH1-CA 3.27Å; G959-L961 PolarHBondContact O-N 3.13Å; G959-E962 PolarHBondContact N-OE2 2.92Å; G959-E962 VanDerWaalsContact O-CB 3.28Å; G959-E962 WeakPolarHBondContact O-CB 3.48Å; G959-E962 PolarHBondContact O-N 3.48Å; G959-E962 VanDerWaalsContact O-N 3.1Å
960	Y	85.5	Confident	88.4	Confident	6 Å²	6	33 Å²	33	2%	0.024	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-24.4	-163.4	90.1	-81.8	0	0	0	114	F654 N657 F927 I931 L955	F654-Y960 HydrophobicContact CD2-CE1 4.23Å; F654-Y960 WeakPolarHBondContact CD2-OH 3.49Å; F654-Y960 WeakPolarHBondContact CE2-OH 3.4Å; N657-Y960 HydrophobicContact CB-CD1 3.99Å; N657-Y960 HydrophobicContact CB-CE1 4.33Å; N657-Y960 VanDerWaalsContact ND2-CD1 3.33Å; N657-Y960 WeakPolarHBondContact ND2-CD1 3.48Å; F927-Y960 HydrophobicContact CD1-CD1 4.29Å; F927-Y960 AromaticContact CD1-CD2 3.99Å; F927-Y960 HydrophobicContact CD1-CD2 3.99Å; F927-Y960 AromaticContact CD1-CE1 3.87Å; F927-Y960 HydrophobicContact CD1-CE1 3.87Å; F927-Y960 AromaticContact CD1-CE2 3.53Å; F927-Y960 HydrophobicContact CD1-CE2 3.53Å; F927-Y960 HydrophobicContact CD1-CG 4.34Å; F927-Y960 AromaticContact CD1-CZ 3.48Å; F927-Y960 VanDerWaalsContact CD1-CZ 3.48Å; F927-Y960 HydrophobicContact CE1-CE1 4.48Å; F927-Y960 AromaticContact CE1-CE2 3.84Å; F927-Y960 HydrophobicContact CE1-CE2 3.84Å; F927-Y960 AromaticContact CE1-CZ 3.73Å; F927-Y960 WeakPolarHBondContact O-CB 3.4Å; I931-Y960 HydrophobicContact CD1-CD2 3.98Å; I931-Y960 HydrophobicContact CD1-CE2 4.21Å; I931-Y960 HydrophobicContact CG1-CD2 4.45Å; I931-Y960 PolarHBondContact N-O 3.44Å; L955-Y960 HydrophobicContact CD2-CE1 4.19Å
961	L	86.1	Confident	88.3	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	25.4	175.2	-62.6	174.7	0	0	0	112.8	I931 A934 I936 L955 G959 S963 A964 N1073 L1074	I931-L961 HydrophobicContact CD1-CD2 4.23Å; A934-L961 HydrophobicContact CB-CD2 3.45Å; A934-L961 VanDerWaalsContact CB-CD2 3.45Å; I936-L961 HydrophobicContact CD1-CB 4.15Å; I936-L961 HydrophobicContact CD1-CD1 3.81Å; I936-L961 HydrophobicContact CG1-CD1 3.96Å; L955-L961 CarbonylContact O-C 3.56Å; G959-L961 PolarHBondContact O-N 3.13Å; L961-S963 PolarHBondContact O-N 2.92Å; L961-A964 HydrophobicContact CB-CB 4.12Å; L961-A964 WeakPolarHBondContact O-CB 3.49Å; L961-A964 PolarHBondContact O-N 3.43Å; L961-N1073 HydrophobicContact CD2-CB 4.29Å; L961-L1074 HydrophobicContact CD1-CB 4.11Å; L961-L1074 HydrophobicContact CD1-CD2 3.87Å
962	E	85	Confident	88	Confident	56 Å²	56	33.1 Å²	33.1	26%	0.262	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	132.6	177.1	-171.1	172.2	136.9	0	0	111.3	R930 S956 G959 A964	R930-E962 IonicContact CZ-OE1 2.81Å; R930-E962 IonicContact CZ-OE2 2.66Å; R930-E962 IonicContact NE-OE2 3.75Å; R930-E962 IonicContact NH1-OE1 2.78Å; R930-E962 PolarHBondContact NH1-OE1 3.33Å; R930-E962 IonicContact NH1-OE2 3.18Å; R930-E962 PolarHBondContact NH1-OE2 2.9Å; R930-E962 IonicContact NH2-OE1 2.8Å; R930-E962 IonicContact NH2-OE2 3.1Å; R930-E962 PolarHBondContact NH2-OE2 2.9Å; S956-E962 WeakPolarHBondContact O-CA 3.43Å; G959-E962 PolarHBondContact N-OE2 2.92Å; G959-E962 VanDerWaalsContact O-CB 3.28Å; G959-E962 WeakPolarHBondContact O-CB 3.48Å; G959-E962 PolarHBondContact O-N 3.48Å; G959-E962 VanDerWaalsContact O-N 3.1Å; E962-A964 PolarHBondContact O-N 3.09Å
963	S	85.7	Confident	87.4	Confident	98 Å²	98	36.9 Å²	36.9	69%	0.685	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.6	22.6	-175	-51.2	0	0	0	0	115.1	S956 L961	S956-S963 PolarHBondContact O-N 3.3Å; L961-S963 PolarHBondContact O-N 2.92Å
964	A	89.1	Confident	86.7	Confident	12 Å²	12	43.8 Å²	43.8	10%	0.099	21%	0.212	C	C	.	.			trans	-63.5	145.8	173.4	0	0	0	0	0	112.3	A934 I936 L961 E962 L966	A934-A964 HydrophobicContact CB-CB 3.96Å; A934-A964 CarbonylContact O-C 3.49Å; A934-A964 WeakPolarHBondContact O-CA 3.4Å; A934-A964 WeakPolarHBondContact O-CB 3.4Å; I936-A964 HydrophobicContact CD1-CB 3.68Å; I936-A964 HydrophobicContact CG1-CB 3.78Å; L961-A964 HydrophobicContact CB-CB 4.12Å; L961-A964 WeakPolarHBondContact O-CB 3.49Å; L961-A964 PolarHBondContact O-N 3.43Å; E962-A964 PolarHBondContact O-N 3.09Å; A964-L966 PolarHBondContact O-N 3.37Å
965	K	92.1	Very high	85.8	Confident	128 Å²	128	43.4 Å²	43.4	56%	0.557	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	114.2	173.9	-66.6	-175.5	179.5	-174.9	0	109.4	A934 I936	A934-K965 PolarHBondContact O-N 3.38Å; I936-K965 PolarHBondContact N-O 3.44Å
966	L	92.8	Very high	84.8	Confident	2 Å²	2	51 Å²	51	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	124.9	177.2	-170.6	65	0	0	0	110.5	I936 V938 P952 A964 I968 I994 S997	I936-L966 HydrophobicContact CB-CD1 3.98Å; I936-L966 HydrophobicContact CG2-CD1 3.85Å; I936-L966 CarbonylContact O-C 3.5Å; I936-L966 WeakPolarHBondContact O-CA 3.42Å; V938-L966 HydrophobicContact CG2-CD1 3.56Å; P952-L966 HydrophobicContact CB-CD1 3.7Å; P952-L966 HydrophobicContact CG-CD1 4.13Å; A964-L966 PolarHBondContact O-N 3.37Å; L966-I968 HydrophobicContact CD2-CD1 4.11Å; L966-I968 HydrophobicContact CD2-CG1 4.43Å; L966-I968 HydrophobicContact CG-CD1 4.4Å; L966-I968 HydrophobicContact CG-CG1 4.21Å; L966-I994 HydrophobicContact CD2-CG2 3.72Å; L966-S997 PolarHBondContact O-N 3.37Å; L966-S997 PolarHBondContact O-OG 3.17Å
967	R	94.7	Very high	83.8	Confident	55 Å²	55	51.7 Å²	51.7	21%	0.208	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	127.6	173.4	-58.8	-172.7	-61.3	172.7	7	108.9	I935 I936 D937 V938 F969 S997 K998 H1068	I935-R967 HydrophobicContact CG2-CG 4.49Å; I936-R967 PolarHBondContact O-N 3.01Å; D937-R967 CarbonylContact C-O 3.57Å; D937-R967 WeakPolarHBondContact CA-O 3.45Å; D937-R967 IonicContact OD1-CZ 2.88Å; D937-R967 IonicContact OD1-NE 3.52Å; D937-R967 PolarHBondContact OD1-NE 3.47Å; D937-R967 IonicContact OD1-NH2 2.92Å; D937-R967 PolarHBondContact OD1-NH2 2.98Å; D937-R967 IonicContact OD2-CZ 3.53Å; D937-R967 IonicContact OD2-NE 2.98Å; D937-R967 IonicContact OD2-NH2 2.81Å; D937-R967 PolarHBondContact OD2-NH2 3.28Å; V938-R967 PolarHBondContact N-O 3.44Å; R967-F969 HydrophobicContact CB-CE2 3.65Å; R967-F969 HydrophobicContact CB-CZ 3.9Å; R967-S997 VanDerWaalsContact CG-OG 3.32Å; R967-S997 WeakPolarHBondContact CG-OG 3.34Å; R967-K998 WeakPolarHBondContact CA-O 3.45Å; R967-K998 HydrophobicContact CG-CB 4.33Å; R967-H1068 PolarHBondContact NH2-O 3.07Å
968	I	93.1	Very high	83.2	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	128.4	-174.3	-62	168.4	0	0	0	109	V938 V949 L966 L985 L989 F996 K998 V999 S1000	V938-I968 HydrophobicContact CB-CG1 4.3Å; V938-I968 WeakPolarHBondContact O-CA 3.45Å; V949-I968 HydrophobicContact CG1-CD1 4.41Å; L966-I968 HydrophobicContact CD2-CD1 4.11Å; L966-I968 HydrophobicContact CD2-CG1 4.43Å; L966-I968 HydrophobicContact CG-CD1 4.4Å; L966-I968 HydrophobicContact CG-CG1 4.21Å; I968-L985 HydrophobicContact CG2-CD2 4.43Å; I968-L989 HydrophobicContact CD1-CD1 3.43Å; I968-L989 VanDerWaalsContact CD1-CD1 3.43Å; I968-L989 HydrophobicContact CD1-CD2 3.6Å; I968-L989 HydrophobicContact CD1-CG 4.16Å; I968-F996 HydrophobicContact CD1-CB 4.27Å; I968-K998 PolarHBondContact N-O 3.11Å; I968-V999 CarbonylContact O-C 3.54Å; I968-V999 WeakPolarHBondContact O-CA 3.27Å; I968-S1000 PolarHBondContact O-N 3.32Å
969	F	93.7	Very high	83.4	Confident	3 Å²	3	50.7 Å²	50.7	1%	0.013	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	138.8	-177.4	-56.5	-83.9	0	0	0	109.9	D937 V938 W939 W940 R967 S1000 F1002 H1068	D937-F969 HydrophobicContact CB-CD2 4.42Å; D937-F969 HydrophobicContact CB-CE2 4Å; V938-F969 PolarHBondContact O-N 3.34Å; W939-F969 CarbonylContact C-O 3.54Å; W939-F969 WeakPolarHBondContact CA-O 3.46Å; W939-F969 HydrophobicContact CD2-CB 3.7Å; W939-F969 HydrophobicContact CD2-CD2 4.34Å; W939-F969 HydrophobicContact CD2-CG 4.23Å; W939-F969 AromaticContact CE2-CD2 3.85Å; W939-F969 AromaticContact CE2-CG 3.96Å; W939-F969 HydrophobicContact CE3-CB 3.57Å; W939-F969 HydrophobicContact CE3-CG 4.39Å; W939-F969 HydrophobicContact CG-CB 4.36Å; W939-F969 HydrophobicContact CH2-CB 3.9Å; W939-F969 HydrophobicContact CH2-CD1 4.14Å; W939-F969 AromaticContact CH2-CG 3.97Å; W939-F969 HydrophobicContact CH2-CG 3.97Å; W939-F969 HydrophobicContact CZ2-CB 4.07Å; W939-F969 HydrophobicContact CZ2-CD1 4.22Å; W939-F969 HydrophobicContact CZ2-CD2 4Å; W939-F969 AromaticContact CZ2-CG 3.83Å; W939-F969 HydrophobicContact CZ2-CG 3.83Å; W939-F969 HydrophobicContact CZ3-CB 3.68Å; W939-F969 HydrophobicContact CZ3-CG 4.27Å; W939-F969 AromaticContact NE1-CD2 3.97Å; W940-F969 PolarHBondContact N-O 2.86Å; R967-F969 HydrophobicContact CB-CE2 3.65Å; R967-F969 HydrophobicContact CB-CZ 3.9Å; F969-S1000 VanDerWaalsContact CA-O 3.29Å; F969-S1000 WeakPolarHBondContact CA-O 3.37Å; F969-F1002 AromaticContact CD1-CE2 3.82Å; F969-F1002 HydrophobicContact CD1-CE2 3.82Å; F969-F1002 HydrophobicContact CD1-CZ 4.4Å; F969-H1068 HydrophobicContact CE1-CB 4.26Å; F969-H1068 HydrophobicContact CZ-CB 4.3Å
970	T	91.1	Very high	83.6	Confident	6 Å²	6	55.4 Å²	55.4	4%	0.037	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	158.5	175.3	-168.8	0	0	0	0	111	W940 L985 S1000 V1001 F1002	W940-T970 VanDerWaalsContact O-CB 3.3Å; W940-T970 WeakPolarHBondContact O-CB 3.47Å; W940-T970 PolarHBondContact O-OG1 2.87Å; T970-L985 HydrophobicContact CG2-CD2 3.94Å; T970-S1000 PolarHBondContact N-O 3.04Å; T970-V1001 HydrophobicContact CG2-CB 4.18Å; T970-V1001 HydrophobicContact CG2-CG1 4.12Å; T970-V1001 HydrophobicContact CG2-CG2 3.74Å; T970-V1001 CarbonylContact O-C 3.45Å; T970-F1002 PolarHBondContact O-N 2.94Å
971	I	88.5	Confident	83.4	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	120.4	-178.5	-56.9	177.1	0	0	0	108.6	L941 F1002 E1004 I1007 R1057 A1061 L1064	L941-I971 HydrophobicContact CD2-CB 4.37Å; L941-I971 HydrophobicContact CD2-CD1 3.68Å; L941-I971 HydrophobicContact CD2-CG1 3.79Å; I971-F1002 CarbonylContact C-O 3.52Å; I971-F1002 VanDerWaalsContact CA-O 3.28Å; I971-F1002 WeakPolarHBondContact CA-O 3.37Å; I971-E1004 HydrophobicContact CG2-CB 4.04Å; I971-I1007 HydrophobicContact CG2-CD1 4.22Å; I971-R1057 PolarHBondContact O-NH2 3.16Å; I971-A1061 HydrophobicContact CD1-CB 3.69Å; I971-L1064 HydrophobicContact CD1-CD1 3.82Å; I971-L1064 HydrophobicContact CG1-CD1 4.04Å
972	V	84.9	Confident	83.4	Confident	23 Å²	23	60.3 Å²	60.3	14%	0.139	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	140.9	-180	179.3	0	0	0	0	110	E90 R974 V1001 F1002 A1003 E1004	E90-V972 WeakPolarHBondContact OE1-CA 3.43Å; V972-R974 PolarHBondContact O-N 3.37Å; V972-V1001 HydrophobicContact CB-CG1 4.33Å; V972-V1001 HydrophobicContact CG2-CG1 3.58Å; V972-F1002 PolarHBondContact N-O 3.24Å; V972-A1003 WeakPolarHBondContact O-CA 3.24Å; V972-E1004 WeakPolarHBondContact O-CB 3.44Å; V972-E1004 PolarHBondContact O-N 3.16Å
973	K	77.9	Confident	83.5	Confident	80 Å²	80	60.6 Å²	60.6	35%	0.348	31%	0.307	S	S	.	.	S	Bend	trans	-57.8	-40.9	-177	-77.5	-177.4	177	-179.7	0	114.7	T85 D86 E90	T85-K973 PolarHBondContact O-NZ 3.35Å; D86-K973 IonicContact OD1-NZ 3.09Å; D86-K973 PolarHBondContact OD1-NZ 3.04Å; E90-K973 PolarHBondContact OE1-N 2.91Å
974	R	75.2	Confident	83.4	Confident	178 Å²	178	59.2 Å²	59.2	67%	0.672	29%	0.289	S	S	*	.			trans	-118.7	147.4	-176.6	-65.4	-175.8	-176.1	174.9	2	110.9	V972 E976	V972-R974 PolarHBondContact O-N 3.37Å; R974-E976 VanDerWaalsContact C-N 3.3Å
975	S	70.8	Confident	83.3	Confident	27 Å²	27	59.2 Å²	59.2	19%	0.189	29%	0.287	C	S	.	.	S	Bend	trans	-76.1	-14.4	176.3	54.4	0	0	0	0	115.1	G977 D1005	S975-G977 PolarHBondContact O-N 3.29Å; S975-D1005 WeakPolarHBondContact CB-OD1 3.09Å; S975-D1005 WeakPolarHBondContact CB-OD2 3.35Å; S975-D1005 PolarHBondContact N-OD1 3.42Å; S975-D1005 PolarHBondContact N-OD2 3.25Å; S975-D1005 VanDerWaalsContact N-OD2 3.11Å; S975-D1005 PolarHBondContact OG-OD2 2.94Å
976	E	67.5	Low	83.1	Confident	159 Å²	159	55.5 Å²	55.5	74%	0.743	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	123.8	172.5	-66.9	175.9	169.9	0	0	110.2	R974	R974-E976 VanDerWaalsContact C-N 3.3Å
977	G	68.5	Low	82.9	Confident	35 Å²	35	59.3 Å²	59.3	36%	0.361	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.7	11.2	178.4	0	0	0	0	0	115.8	S975 D979 E980 E981	S975-G977 PolarHBondContact O-N 3.29Å; G977-D979 VanDerWaalsContact C-N 3.34Å; G977-D979 PolarHBondContact O-N 2.87Å; G977-E980 WeakPolarHBondContact O-CB 3.46Å; G977-E980 PolarHBondContact O-N 2.99Å; G977-E981 PolarHBondContact O-N 3.42Å
978	F	72.6	Confident	82.5	Confident	61 Å²	61	56.8 Å²	56.8	27%	0.268	28%	0.283	S	S	.	.	H	α-helix	trans	-47.5	-51.2	178.4	176.1	-87.8	0	0	0	113.9	E980 E981 Q982 V1001	F978-E980 VanDerWaalsContact C-N 3.29Å; F978-E980 PolarHBondContact O-N 3.44Å; F978-E981 PolarHBondContact O-N 3.36Å; F978-Q982 WeakPolarHBondContact O-CB 3.38Å; F978-Q982 PolarHBondContact O-N 3.34Å; F978-V1001 HydrophobicContact CD2-CB 3.97Å; F978-V1001 HydrophobicContact CD2-CG1 3.88Å; F978-V1001 VanDerWaalsContact CE2-C 3.43Å; F978-V1001 HydrophobicContact CE2-CB 3.65Å; F978-V1001 HydrophobicContact CE2-CG1 4Å; F978-V1001 WeakPolarHBondContact CE2-O 3.43Å; F978-V1001 HydrophobicContact CZ-CB 4.1Å; F978-V1001 WeakPolarHBondContact CZ-O 3.39Å
979	D	79	Confident	82.3	Confident	121 Å²	121	56.8 Å²	56.8	65%	0.647	28%	0.283	S	S	*	.	H	α-helix	trans	-67.4	-34.4	-177.8	-67.6	-42.4	0	0	0	111.4	G977 S983	G977-D979 VanDerWaalsContact C-N 3.34Å; G977-D979 PolarHBondContact O-N 2.87Å; D979-S983 VanDerWaalsContact O-CB 3.27Å; D979-S983 WeakPolarHBondContact O-CB 3.32Å; D979-S983 PolarHBondContact O-N 2.87Å; D979-S983 PolarHBondContact O-OG 3.27Å
980	E	82	Confident	82	Confident	113 Å²	113	61.3 Å²	61.3	53%	0.528	31%	0.307	S	S	.	.	H	α-helix	trans	-70	-45.9	179.5	-157.2	-167.7	144.5	0	0	111	G977 F978 S983 K984	G977-E980 WeakPolarHBondContact O-CB 3.46Å; G977-E980 PolarHBondContact O-N 2.99Å; F978-E980 VanDerWaalsContact C-N 3.29Å; F978-E980 PolarHBondContact O-N 3.44Å; E980-S983 PolarHBondContact O-N 2.99Å; E980-K984 WeakPolarHBondContact O-CB 3.04Å; E980-K984 VanDerWaalsContact O-CG 3.31Å; E980-K984 WeakPolarHBondContact O-CG 3.49Å; E980-K984 PolarHBondContact O-N 2.79Å; E980-K984 WeakPolarHBondContact OE1-CE 3.42Å; E980-K984 IonicContact OE1-NZ 3.58Å; E980-K984 PolarHBondContact OE1-NZ 3.49Å
981	E	80.7	Confident	81.7	Confident	57 Å²	57	64.8 Å²	64.8	27%	0.266	32%	0.323	S	S	.	.	H	α-helix	trans	-66.8	-40.5	177.1	-68.6	-54.4	127.4	0	0	112	G977 F978 S983 K984 L985	G977-E981 PolarHBondContact O-N 3.42Å; F978-E981 PolarHBondContact O-N 3.36Å; E981-S983 VanDerWaalsContact C-N 3.3Å; E981-S983 PolarHBondContact O-N 2.84Å; E981-K984 PolarHBondContact O-N 2.91Å; E981-K984 IonicContact OE1-NZ 2.78Å; E981-K984 PolarHBondContact OE1-NZ 3.25Å; E981-L985 WeakPolarHBondContact O-CB 3.31Å; E981-L985 PolarHBondContact O-N 2.89Å
982	Q	86.1	Confident	81.5	Confident	51 Å²	51	65.9 Å²	65.9	24%	0.238	33%	0.329	C	S	.	.	H	α-helix	trans	-60.8	-41.8	172.9	-173.1	171.9	-50.7	0	0	111.3	F978 L985 I986 V999 V1001	F978-Q982 WeakPolarHBondContact O-CB 3.38Å; F978-Q982 PolarHBondContact O-N 3.34Å; Q982-L985 PolarHBondContact O-N 3.23Å; Q982-I986 HydrophobicContact CG-CD1 4.02Å; Q982-I986 WeakPolarHBondContact O-CB 3.3Å; Q982-I986 VanDerWaalsContact O-CG1 3.26Å; Q982-I986 WeakPolarHBondContact O-CG1 3.27Å; Q982-I986 PolarHBondContact O-N 3.28Å; Q982-V999 HydrophobicContact CG-CG1 4.45Å; Q982-V1001 HydrophobicContact CB-CB 4.45Å; Q982-V1001 HydrophobicContact CB-CG2 3.63Å; Q982-V1001 HydrophobicContact CG-CG2 4.08Å
983	S	86.9	Confident	81.6	Confident	63 Å²	63	75.2 Å²	75.2	44%	0.441	36%	0.361	S	S	.	.	H	α-helix	trans	-66.6	-46	178.1	-62.2	0	0	0	0	111.7	D979 E980 E981 L985 I986 I987	D979-S983 VanDerWaalsContact O-CB 3.27Å; D979-S983 WeakPolarHBondContact O-CB 3.32Å; D979-S983 PolarHBondContact O-N 2.87Å; D979-S983 PolarHBondContact O-OG 3.27Å; E980-S983 PolarHBondContact O-N 2.99Å; E981-S983 VanDerWaalsContact C-N 3.3Å; E981-S983 PolarHBondContact O-N 2.84Å; S983-L985 VanDerWaalsContact C-N 3.31Å; S983-L985 PolarHBondContact O-N 3.41Å; S983-I986 PolarHBondContact O-N 3.23Å; S983-I987 VanDerWaalsContact O-CG1 3.23Å; S983-I987 WeakPolarHBondContact O-CG1 3.27Å; S983-I987 PolarHBondContact O-N 3.44Å
984	K	85.6	Confident	82	Confident	69 Å²	69	71.6 Å²	71.6	30%	0.3	35%	0.346	S	S	.	.	H	α-helix	trans	-57.1	-43.7	175	-74.6	170.1	-173.3	162.3	0	111.6	E980 E981 I987 L988	E980-K984 WeakPolarHBondContact O-CB 3.04Å; E980-K984 VanDerWaalsContact O-CG 3.31Å; E980-K984 WeakPolarHBondContact O-CG 3.49Å; E980-K984 PolarHBondContact O-N 2.79Å; E980-K984 WeakPolarHBondContact OE1-CE 3.42Å; E980-K984 IonicContact OE1-NZ 3.58Å; E980-K984 PolarHBondContact OE1-NZ 3.49Å; E981-K984 PolarHBondContact O-N 2.91Å; E981-K984 IonicContact OE1-NZ 2.78Å; E981-K984 PolarHBondContact OE1-NZ 3.25Å; K984-I987 PolarHBondContact O-N 3.37Å; K984-L988 WeakPolarHBondContact O-CB 3.34Å; K984-L988 PolarHBondContact O-N 2.9Å
985	L	86	Confident	82.6	Confident	11 Å²	11	72.1 Å²	72.1	6%	0.058	35%	0.353	C	S	.	.	H	α-helix	trans	-67.4	-40.2	179	-174.4	60.2	0	0	0	112.2	W940 I968 T970 E981 Q982 S983 L988 L989 V999	W940-L985 HydrophobicContact CE3-CD1 3.87Å; W940-L985 HydrophobicContact CZ3-CD1 3.57Å; I968-L985 HydrophobicContact CG2-CD2 4.43Å; T970-L985 HydrophobicContact CG2-CD2 3.94Å; E981-L985 WeakPolarHBondContact O-CB 3.31Å; E981-L985 PolarHBondContact O-N 2.89Å; Q982-L985 PolarHBondContact O-N 3.23Å; S983-L985 VanDerWaalsContact C-N 3.31Å; S983-L985 PolarHBondContact O-N 3.41Å; L985-L988 HydrophobicContact CD1-CD2 4.3Å; L985-L988 WeakPolarHBondContact O-CB 3.27Å; L985-L988 PolarHBondContact O-N 3.08Å; L985-L989 HydrophobicContact CG-CD1 4.25Å; L985-L989 VanDerWaalsContact O-CG 3.3Å; L985-L989 WeakPolarHBondContact O-CG 3.35Å; L985-L989 PolarHBondContact O-N 3.13Å; L985-V999 HydrophobicContact CB-CG1 4.47Å; L985-V999 HydrophobicContact CD2-CG1 3.56Å; L985-V999 HydrophobicContact CG-CG1 4.03Å
986	I	88.8	Confident	83.5	Confident	50 Å²	50	73.4 Å²	73.4	26%	0.256	36%	0.356	S	S	.	.	H	α-helix	trans	-61.7	-45.3	173.6	-74.7	167.2	0	0	0	110.8	Q982 S983 L989 N990 F996 V999	Q982-I986 HydrophobicContact CG-CD1 4.02Å; Q982-I986 WeakPolarHBondContact O-CB 3.3Å; Q982-I986 VanDerWaalsContact O-CG1 3.26Å; Q982-I986 WeakPolarHBondContact O-CG1 3.27Å; Q982-I986 PolarHBondContact O-N 3.28Å; S983-I986 PolarHBondContact O-N 3.23Å; I986-L989 PolarHBondContact O-N 3.01Å; I986-N990 WeakPolarHBondContact O-CB 3.42Å; I986-N990 VanDerWaalsContact O-CG 3.32Å; I986-N990 PolarHBondContact O-N 3.38Å; I986-N990 PolarHBondContact O-ND2 2.95Å; I986-F996 HydrophobicContact CG1-CE2 4.47Å; I986-F996 HydrophobicContact CG1-CZ 4.35Å; I986-F996 HydrophobicContact CG2-CZ 4.09Å; I986-V999 HydrophobicContact CG1-CB 4.04Å; I986-V999 HydrophobicContact CG1-CG1 4.37Å; I986-V999 HydrophobicContact CG1-CG2 3.99Å
987	I	87.7	Confident	84.6	Confident	83 Å²	83	68.9 Å²	68.9	43%	0.426	34%	0.341	S	S	.	.	H	α-helix	trans	-61.8	-45.5	177.2	-66.1	164.2	0	0	0	110.2	F93 S983 K984 L989 N990 Q991	F93-I987 HydrophobicContact CE2-CG2 3.93Å; S983-I987 VanDerWaalsContact O-CG1 3.23Å; S983-I987 WeakPolarHBondContact O-CG1 3.27Å; S983-I987 PolarHBondContact O-N 3.44Å; K984-I987 PolarHBondContact O-N 3.37Å; I987-L989 PolarHBondContact O-N 2.99Å; I987-N990 PolarHBondContact O-N 3.02Å; I987-Q991 HydrophobicContact CG2-CG 4.37Å; I987-Q991 WeakPolarHBondContact O-CB 3.38Å; I987-Q991 WeakPolarHBondContact O-CG 3.41Å; I987-Q991 PolarHBondContact O-N 3.36Å
988	L	86	Confident	85.8	Confident	2 Å²	2	72.4 Å²	72.4	1%	0.01	35%	0.347	C	S	.	.	H	α-helix	trans	-55.5	-52.2	176.6	178.2	61.6	0	0	0	111.5	F93 Y96 W940 K984 L985 N990 Q991 L992 F1119	F93-L988 HydrophobicContact CD2-CB 3.96Å; F93-L988 HydrophobicContact CD2-CD1 4.33Å; F93-L988 HydrophobicContact CE2-CB 4.43Å; Y96-L988 HydrophobicContact CD2-CD1 4.23Å; Y96-L988 HydrophobicContact CD2-CD2 3.87Å; Y96-L988 HydrophobicContact CE2-CD2 4.4Å; Y96-L988 HydrophobicContact CG-CD1 4Å; Y96-L988 HydrophobicContact CG-CD2 4.35Å; W940-L988 HydrophobicContact CH2-CD2 4.06Å; W940-L988 HydrophobicContact CZ3-CD2 4.17Å; K984-L988 WeakPolarHBondContact O-CB 3.34Å; K984-L988 PolarHBondContact O-N 2.9Å; L985-L988 HydrophobicContact CD1-CD2 4.3Å; L985-L988 WeakPolarHBondContact O-CB 3.27Å; L985-L988 PolarHBondContact O-N 3.08Å; L988-N990 VanDerWaalsContact C-N 3.32Å; L988-N990 PolarHBondContact O-N 2.89Å; L988-Q991 PolarHBondContact O-N 3.27Å; L988-L992 HydrophobicContact CD1-CD1 3.99Å; L988-L992 HydrophobicContact CD1-CG 4.26Å; L988-L992 HydrophobicContact CG-CD1 4.01Å; L988-L992 WeakPolarHBondContact O-CB 3.38Å; L988-L992 VanDerWaalsContact O-CG 3.28Å; L988-L992 WeakPolarHBondContact O-CG 3.47Å; L988-L992 PolarHBondContact O-N 3.48Å; L988-F1119 HydrophobicContact CD1-CD1 4.01Å; L988-F1119 HydrophobicContact CD1-CE1 3.57Å
989	L	88.3	Confident	86.6	Confident	0 Å²	0	70 Å²	70	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-64.5	-36.7	-178.1	-69.3	166.3	0	0	0	112.5	V949 I968 L985 I986 I987 L992 R993 I994 F996 V999	V949-L989 HydrophobicContact CG1-CD2 3.88Å; I968-L989 HydrophobicContact CD1-CD1 3.43Å; I968-L989 VanDerWaalsContact CD1-CD1 3.43Å; I968-L989 HydrophobicContact CD1-CD2 3.6Å; I968-L989 HydrophobicContact CD1-CG 4.16Å; L985-L989 HydrophobicContact CG-CD1 4.25Å; L985-L989 VanDerWaalsContact O-CG 3.3Å; L985-L989 WeakPolarHBondContact O-CG 3.35Å; L985-L989 PolarHBondContact O-N 3.13Å; I986-L989 PolarHBondContact O-N 3.01Å; I987-L989 PolarHBondContact O-N 2.99Å; L989-L992 CarbonylContact O-C 3.46Å; L989-L992 PolarHBondContact O-N 2.9Å; L989-R993 PolarHBondContact O-N 3.39Å; L989-R993 VanDerWaalsContact O-N 3.08Å; L989-I994 HydrophobicContact CD2-CB 4.44Å; L989-I994 PolarHBondContact O-N 2.9Å; L989-F996 HydrophobicContact CB-CD1 3.67Å; L989-F996 HydrophobicContact CB-CE1 3.59Å; L989-F996 HydrophobicContact CD1-CD1 3.88Å; L989-F996 HydrophobicContact CD1-CE1 4.19Å; L989-F996 HydrophobicContact CD1-CG 4.31Å; L989-F996 HydrophobicContact CG-CD1 4.37Å; L989-V999 HydrophobicContact CD1-CG2 3.66Å
990	N	88.6	Confident	87.2	Confident	97 Å²	97	64.8 Å²	64.8	52%	0.519	31%	0.31	S	S	.	.	H	α-helix	trans	-66.5	-42.9	174.5	-77.1	-28.3	0	0	0	112	I986 I987 L988 L992 R993 F996	I986-N990 WeakPolarHBondContact O-CB 3.42Å; I986-N990 VanDerWaalsContact O-CG 3.32Å; I986-N990 PolarHBondContact O-N 3.38Å; I986-N990 PolarHBondContact O-ND2 2.95Å; I987-N990 PolarHBondContact O-N 3.02Å; L988-N990 VanDerWaalsContact C-N 3.32Å; L988-N990 PolarHBondContact O-N 2.89Å; N990-L992 VanDerWaalsContact C-N 3.3Å; N990-L992 PolarHBondContact O-N 3.45Å; N990-R993 WeakPolarHBondContact O-CA 3.49Å; N990-R993 PolarHBondContact O-N 2.88Å; N990-F996 WeakPolarHBondContact OD1-CE1 3.44Å
991	Q	84.7	Confident	87.4	Confident	79 Å²	79	59.6 Å²	59.6	37%	0.369	29%	0.286	S	S	.	.	H	α-helix	trans	-64.9	-35.2	175.2	-74.2	178.9	-13.8	0	0	112.1	F93 I987 L988 R993 F1119	F93-Q991 VanDerWaalsContact CE2-OE1 3.22Å; F93-Q991 VanDerWaalsContact CZ-OE1 3.25Å; I987-Q991 HydrophobicContact CG2-CG 4.37Å; I987-Q991 WeakPolarHBondContact O-CB 3.38Å; I987-Q991 WeakPolarHBondContact O-CG 3.41Å; I987-Q991 PolarHBondContact O-N 3.36Å; L988-Q991 PolarHBondContact O-N 3.27Å; Q991-R993 PolarHBondContact O-N 3.12Å; Q991-F1119 HydrophobicContact CB-CB 4.28Å; Q991-F1119 HydrophobicContact CB-CD1 4.34Å; Q991-F1119 HydrophobicContact CB-CD2 4.33Å; Q991-F1119 HydrophobicContact CB-CG 4.05Å
992	L	84.3	Confident	87.8	Confident	24 Å²	24	58.8 Å²	58.8	13%	0.126	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-6	171.8	-65.9	175.9	0	0	0	113.5	L988 L989 N990 I994 L1117 F1119	L988-L992 HydrophobicContact CD1-CD1 3.99Å; L988-L992 HydrophobicContact CD1-CG 4.26Å; L988-L992 HydrophobicContact CG-CD1 4.01Å; L988-L992 WeakPolarHBondContact O-CB 3.38Å; L988-L992 VanDerWaalsContact O-CG 3.28Å; L988-L992 WeakPolarHBondContact O-CG 3.47Å; L988-L992 PolarHBondContact O-N 3.48Å; L989-L992 CarbonylContact O-C 3.46Å; L989-L992 PolarHBondContact O-N 2.9Å; N990-L992 VanDerWaalsContact C-N 3.3Å; N990-L992 PolarHBondContact O-N 3.45Å; L992-I994 VanDerWaalsContact C-N 3.26Å; L992-I994 HydrophobicContact CB-CD1 4.08Å; L992-I994 HydrophobicContact CB-CG1 4.01Å; L992-I994 HydrophobicContact CD1-CD1 4.45Å; L992-I994 PolarHBondContact O-N 3.04Å; L992-L1117 HydrophobicContact CD1-CB 4.36Å; L992-L1117 HydrophobicContact CD1-CD1 4.34Å; L992-L1117 HydrophobicContact CD2-CB 4.03Å; L992-F1119 HydrophobicContact CD2-CB 4.42Å; L992-F1119 HydrophobicContact CD2-CD1 4.27Å
993	R	87.5	Confident	87.7	Confident	219 Å²	219	56.7 Å²	56.7	83%	0.826	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	32.4	-177.7	-57	-177.3	177.2	-176.9	-1.6	114.1	L989 N990 Q991	L989-R993 PolarHBondContact O-N 3.39Å; L989-R993 VanDerWaalsContact O-N 3.08Å; N990-R993 WeakPolarHBondContact O-CA 3.49Å; N990-R993 PolarHBondContact O-N 2.88Å; Q991-R993 PolarHBondContact O-N 3.12Å
994	I	86	Confident	87.5	Confident	5 Å²	5	55 Å²	55	3%	0.026	26%	0.259	C	S	.	.			trans	-91	114	178.2	-60.1	-177.8	0	0	0	108.2	V949 H953 L966 L989 L992 F996 L1117	V949-I994 HydrophobicContact CB-CD1 4.47Å; V949-I994 HydrophobicContact CG1-CD1 3.52Å; V949-I994 HydrophobicContact CG1-CG2 4.27Å; H953-I994 HydrophobicContact CB-CG2 4.45Å; L966-I994 HydrophobicContact CD2-CG2 3.72Å; L989-I994 HydrophobicContact CD2-CB 4.44Å; L989-I994 PolarHBondContact O-N 2.9Å; L992-I994 VanDerWaalsContact C-N 3.26Å; L992-I994 HydrophobicContact CB-CD1 4.08Å; L992-I994 HydrophobicContact CB-CG1 4.01Å; L992-I994 HydrophobicContact CD1-CD1 4.45Å; L992-I994 PolarHBondContact O-N 3.04Å; I994-F996 VanDerWaalsContact O-CD1 3.29Å; I994-F996 WeakPolarHBondContact O-CD1 3.42Å; I994-F996 PolarHBondContact O-N 3.21Å; I994-L1117 HydrophobicContact CD1-CD1 3.9Å
995	K	88.3	Confident	87.2	Confident	188 Å²	188	56 Å²	56	82%	0.817	27%	0.267	S	S	*	.			trans	-68.7	117.2	176.3	-66.6	-177.1	-179.8	179.7	0	109.7
996	F	89.8	Confident	87	Confident	55 Å²	55	63.9 Å²	63.9	24%	0.241	30%	0.296	C	S	.	.			trans	-119.4	156	173.2	60.2	-91.8	0	0	0	110.5	I968 I986 L989 N990 I994 V999	I968-F996 HydrophobicContact CD1-CB 4.27Å; I986-F996 HydrophobicContact CG1-CE2 4.47Å; I986-F996 HydrophobicContact CG1-CZ 4.35Å; I986-F996 HydrophobicContact CG2-CZ 4.09Å; L989-F996 HydrophobicContact CB-CD1 3.67Å; L989-F996 HydrophobicContact CB-CE1 3.59Å; L989-F996 HydrophobicContact CD1-CD1 3.88Å; L989-F996 HydrophobicContact CD1-CE1 4.19Å; L989-F996 HydrophobicContact CD1-CG 4.31Å; L989-F996 HydrophobicContact CG-CD1 4.37Å; N990-F996 WeakPolarHBondContact OD1-CE1 3.44Å; I994-F996 VanDerWaalsContact O-CD1 3.29Å; I994-F996 WeakPolarHBondContact O-CD1 3.42Å; I994-F996 PolarHBondContact O-N 3.21Å; F996-V999 HydrophobicContact CD2-CG2 3.58Å; F996-V999 HydrophobicContact CE2-CG2 3.71Å; F996-V999 HydrophobicContact CG-CG2 4.07Å; F996-V999 HydrophobicContact CZ-CG2 4.31Å
997	S	90.6	Very high	86.7	Confident	64 Å²	64	62.6 Å²	62.6	45%	0.448	29%	0.289	S	S	.	.	S	Bend	trans	-99.9	-31.7	177.8	62.4	0	0	0	0	112.7	L966 R967	L966-S997 PolarHBondContact O-N 3.37Å; L966-S997 PolarHBondContact O-OG 3.17Å; R967-S997 VanDerWaalsContact CG-OG 3.32Å; R967-S997 WeakPolarHBondContact CG-OG 3.34Å
998	K	91.7	Very high	86.3	Confident	108 Å²	108	67 Å²	67	47%	0.47	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	137.4	178.3	-166.8	-177.3	-174	-165.1	0	109.7	R967 I968 S1000	R967-K998 WeakPolarHBondContact CA-O 3.45Å; R967-K998 HydrophobicContact CG-CB 4.33Å; I968-K998 PolarHBondContact N-O 3.11Å; K998-S1000 WeakPolarHBondContact CE-OG 3.28Å
999	V	91.2	Very high	85.8	Confident	10 Å²	10	73 Å²	73	6%	0.061	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	135.2	164.8	179.5	0	0	0	0	107.1	I968 Q982 L985 I986 L989 F996	I968-V999 CarbonylContact O-C 3.54Å; I968-V999 WeakPolarHBondContact O-CA 3.27Å; Q982-V999 HydrophobicContact CG-CG1 4.45Å; L985-V999 HydrophobicContact CB-CG1 4.47Å; L985-V999 HydrophobicContact CD2-CG1 3.56Å; L985-V999 HydrophobicContact CG-CG1 4.03Å; I986-V999 HydrophobicContact CG1-CB 4.04Å; I986-V999 HydrophobicContact CG1-CG1 4.37Å; I986-V999 HydrophobicContact CG1-CG2 3.99Å; L989-V999 HydrophobicContact CD1-CG2 3.66Å; F996-V999 HydrophobicContact CD2-CG2 3.58Å; F996-V999 HydrophobicContact CE2-CG2 3.71Å; F996-V999 HydrophobicContact CG-CG2 4.07Å; F996-V999 HydrophobicContact CZ-CG2 4.31Å
1000	S	90.1	Very high	85.7	Confident	12 Å²	12	75.6 Å²	75.6	8%	0.084	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	118.8	177.4	-62.3	0	0	0	0	109.7	I968 F969 T970 K998	I968-S1000 PolarHBondContact O-N 3.32Å; F969-S1000 VanDerWaalsContact CA-O 3.29Å; F969-S1000 WeakPolarHBondContact CA-O 3.37Å; T970-S1000 PolarHBondContact N-O 3.04Å; K998-S1000 WeakPolarHBondContact CE-OG 3.28Å
1001	V	87.6	Confident	85.6	Confident	4 Å²	4	77.2 Å²	77.2	2%	0.024	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	151.3	170.2	-177.1	0	0	0	0	107.2	T970 V972 F978 Q982	T970-V1001 HydrophobicContact CG2-CB 4.18Å; T970-V1001 HydrophobicContact CG2-CG1 4.12Å; T970-V1001 HydrophobicContact CG2-CG2 3.74Å; T970-V1001 CarbonylContact O-C 3.45Å; V972-V1001 HydrophobicContact CB-CG1 4.33Å; V972-V1001 HydrophobicContact CG2-CG1 3.58Å; F978-V1001 HydrophobicContact CD2-CB 3.97Å; F978-V1001 HydrophobicContact CD2-CG1 3.88Å; F978-V1001 VanDerWaalsContact CE2-C 3.43Å; F978-V1001 HydrophobicContact CE2-CB 3.65Å; F978-V1001 HydrophobicContact CE2-CG1 4Å; F978-V1001 WeakPolarHBondContact CE2-O 3.43Å; F978-V1001 HydrophobicContact CZ-CB 4.1Å; F978-V1001 WeakPolarHBondContact CZ-O 3.39Å; Q982-V1001 HydrophobicContact CB-CB 4.45Å; Q982-V1001 HydrophobicContact CB-CG2 3.63Å; Q982-V1001 HydrophobicContact CG-CG2 4.08Å
1002	F	88.3	Confident	85.8	Confident	41 Å²	41	80 Å²	80	18%	0.18	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	143.8	168.5	-62.9	-78.5	0	0	0	108.8	W939 F969 T970 I971 V972 I1007 L1064 H1068	W939-F1002 AromaticContact CH2-CE2 3.95Å; W939-F1002 HydrophobicContact CH2-CE2 3.95Å; W939-F1002 HydrophobicContact CZ3-CD2 4.27Å; W939-F1002 HydrophobicContact CZ3-CE2 4.12Å; F969-F1002 AromaticContact CD1-CE2 3.82Å; F969-F1002 HydrophobicContact CD1-CE2 3.82Å; F969-F1002 HydrophobicContact CD1-CZ 4.4Å; T970-F1002 PolarHBondContact O-N 2.94Å; I971-F1002 CarbonylContact C-O 3.52Å; I971-F1002 VanDerWaalsContact CA-O 3.28Å; I971-F1002 WeakPolarHBondContact CA-O 3.37Å; V972-F1002 PolarHBondContact N-O 3.24Å; F1002-I1007 HydrophobicContact CB-CD1 4.47Å; F1002-L1064 HydrophobicContact CB-CD1 3.75Å; F1002-L1064 HydrophobicContact CD1-CD1 4.32Å; F1002-L1064 HydrophobicContact CD1-CD2 4.01Å; F1002-L1064 HydrophobicContact CD2-CD1 3.7Å; F1002-L1064 HydrophobicContact CD2-CD2 4.45Å; F1002-L1064 HydrophobicContact CE1-CD2 4.1Å; F1002-L1064 HydrophobicContact CE2-CD1 4.34Å; F1002-L1064 HydrophobicContact CG-CD1 3.68Å; F1002-L1064 HydrophobicContact CG-CD2 4.19Å; F1002-L1064 HydrophobicContact CZ-CD2 4.35Å; F1002-H1068 AromaticContact CE1-CE1 3.86Å; F1002-H1068 AromaticContact CE1-NE2 4Å; F1002-H1068 AromaticContact CZ-CE1 3.48Å; F1002-H1068 VanDerWaalsContact CZ-CE1 3.48Å; F1002-H1068 WeakPolarHBondContact CZ-CE1 3.46Å; F1002-H1068 AromaticContact CZ-NE2 3.57Å
1003	A	84.8	Confident	86.1	Confident	7 Å²	7	79 Å²	79	6%	0.058	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	128.1	178.1	0	0	0	0	0	110.3	V972 D1005 R1006 I1007	V972-A1003 WeakPolarHBondContact O-CA 3.24Å; A1003-D1005 VanDerWaalsContact C-N 3.27Å; A1003-D1005 WeakPolarHBondContact CB-OD1 3.35Å; A1003-D1005 PolarHBondContact O-N 3.04Å; A1003-R1006 HydrophobicContact CB-CB 4.46Å; A1003-R1006 HydrophobicContact CB-CG 4.27Å; A1003-R1006 PolarHBondContact O-N 3.47Å; A1003-R1006 VanDerWaalsContact O-N 3.09Å; A1003-I1007 WeakPolarHBondContact O-CG1 3.42Å
1004	E	82.5	Confident	86.2	Confident	28 Å²	28	70.8 Å²	70.8	13%	0.131	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-63.3	-30	-171.7	-171	172.3	172	0	0	113.9	I971 V972 R1057 K1060	I971-E1004 HydrophobicContact CG2-CB 4.04Å; V972-E1004 WeakPolarHBondContact O-CB 3.44Å; V972-E1004 PolarHBondContact O-N 3.16Å; E1004-R1057 WeakPolarHBondContact OE1-CB 3.19Å; E1004-R1057 IonicContact OE2-CZ 2.77Å; E1004-R1057 IonicContact OE2-NH1 2.98Å; E1004-R1057 PolarHBondContact OE2-NH1 2.96Å; E1004-K1060 HydrophobicContact CG-CD 3.78Å; E1004-K1060 PolarHBondContact O-NZ 2.98Å
1005	D	79.5	Confident	86.5	Confident	89 Å²	89	78.4 Å²	78.4	48%	0.476	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-72	-24.2	175.8	58.2	-12.5	0	0	0	113.4	S975 A1003	S975-D1005 WeakPolarHBondContact CB-OD1 3.09Å; S975-D1005 WeakPolarHBondContact CB-OD2 3.35Å; S975-D1005 PolarHBondContact N-OD1 3.42Å; S975-D1005 PolarHBondContact N-OD2 3.25Å; S975-D1005 VanDerWaalsContact N-OD2 3.11Å; S975-D1005 PolarHBondContact OG-OD2 2.94Å; A1003-D1005 VanDerWaalsContact C-N 3.27Å; A1003-D1005 WeakPolarHBondContact CB-OD1 3.35Å; A1003-D1005 PolarHBondContact O-N 3.04Å
1006	R	81.1	Confident	86.6	Confident	176 Å²	176	70.2 Å²	70.2	66%	0.664	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-92.9	-7.7	-179.7	-64.4	-175.6	-177.6	-178.5	3.2	114.1	A1003 Q1008	A1003-R1006 HydrophobicContact CB-CB 4.46Å; A1003-R1006 HydrophobicContact CB-CG 4.27Å; A1003-R1006 PolarHBondContact O-N 3.47Å; A1003-R1006 VanDerWaalsContact O-N 3.09Å; R1006-Q1008 PolarHBondContact O-N 2.94Å
1007	I	82.1	Confident	86.7	Confident	24 Å²	24	68.5 Å²	68.5	12%	0.123	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-83.8	116.2	-177.4	-59.3	162.9	0	0	0	109.3	I971 F1002 A1003 K1060 L1064	I971-I1007 HydrophobicContact CG2-CD1 4.22Å; F1002-I1007 HydrophobicContact CB-CD1 4.47Å; A1003-I1007 WeakPolarHBondContact O-CG1 3.42Å; I1007-K1060 HydrophobicContact CB-CB 4.36Å; I1007-K1060 HydrophobicContact CB-CD 4.31Å; I1007-K1060 HydrophobicContact CB-CG 4.24Å; I1007-K1060 HydrophobicContact CD1-CB 4.11Å; I1007-K1060 HydrophobicContact CG2-CB 3.9Å; I1007-K1060 HydrophobicContact CG2-CG 3.95Å; I1007-L1064 HydrophobicContact CD1-CD1 3.48Å; I1007-L1064 VanDerWaalsContact CD1-CD1 3.48Å; I1007-L1064 HydrophobicContact CD1-CG 4.22Å; I1007-L1064 HydrophobicContact CG1-CD1 4.15Å
1008	Q	78.6	Confident	86.7	Confident	175 Å²	175	71.3 Å²	71.3	82%	0.818	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-66.8	140	173.8	-69.3	-179.5	-5.4	0	0	111.4	R1006	R1006-Q1008 PolarHBondContact O-N 2.94Å
1009	E	76.7	Confident	86.6	Confident	127 Å²	127	71 Å²	71	59%	0.593	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-70.1	134	174.5	-64.1	-177.9	178.8	0	0	110.5	L1014	E1009-L1014 HydrophobicContact CB-CD1 4.37Å
1010	N	84.8	Confident	86.6	Confident	56 Å²	56	70.6 Å²	70.6	30%	0.299	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-99.4	120.3	176.3	-175.2	-9.9	0	0	0	109.4	E1012 T1013 L1014 N1063	N1010-E1012 PolarHBondContact O-N 3.19Å; N1010-E1012 WeakPolarHBondContact OD1-CB 3.27Å; N1010-E1012 PolarHBondContact OD1-N 2.66Å; N1010-T1013 PolarHBondContact O-N 3.31Å; N1010-L1014 PolarHBondContact O-N 3.37Å; N1010-L1014 VanDerWaalsContact O-N 3.08Å; N1010-N1063 VanDerWaalsContact CB-CG 3.44Å; N1010-N1063 WeakPolarHBondContact CB-ND2 3.4Å; N1010-N1063 VanDerWaalsContact CB-OD1 3.26Å; N1010-N1063 WeakPolarHBondContact CB-OD1 3.38Å; N1010-N1063 PolarHBondContact N-ND2 3.19Å
1011	Q	87.7	Confident	86.6	Confident	130 Å²	130	70.3 Å²	70.3	61%	0.607	32%	0.322	S	S	*	.	H	α-helix	trans	-60	-31.4	177.9	-66.1	-173	-4.1	0	0	112.9	L1014 R1015	Q1011-L1014 PolarHBondContact O-N 3.32Å; Q1011-R1015 WeakPolarHBondContact O-CB 3.24Å; Q1011-R1015 VanDerWaalsContact O-CG 3.26Å; Q1011-R1015 WeakPolarHBondContact O-CG 3.39Å; Q1011-R1015 PolarHBondContact O-N 3.4Å
1012	E	89	Confident	86.6	Confident	138 Å²	138	73.8 Å²	73.8	65%	0.645	35%	0.346	S	S	*	.	H	α-helix	trans	-67.4	-43.6	177.8	-63.7	-175.6	162.6	0	0	111.8	N1010 L1014 R1015 L1016	N1010-E1012 PolarHBondContact O-N 3.19Å; N1010-E1012 WeakPolarHBondContact OD1-CB 3.27Å; N1010-E1012 PolarHBondContact OD1-N 2.66Å; E1012-L1014 VanDerWaalsContact C-N 3.34Å; E1012-R1015 PolarHBondContact O-N 3.18Å; E1012-L1016 WeakPolarHBondContact O-CB 3.22Å; E1012-L1016 PolarHBondContact O-N 2.95Å
1013	T	89.7	Confident	86.5	Confident	4 Å²	4	77 Å²	77	3%	0.025	36%	0.36	C	S	.	.	H	α-helix	trans	-65.2	-40.3	176.4	-68.1	0	0	0	0	111.2	N1010 L1016 F1017 M1059 R1062 N1063 L1098	N1010-T1013 PolarHBondContact O-N 3.31Å; T1013-L1016 PolarHBondContact O-N 3.24Å; T1013-F1017 PolarHBondContact O-N 2.98Å; T1013-M1059 HydrophobicContact CG2-CB 3.7Å; T1013-M1059 HydrophobicContact CG2-CG 3.79Å; T1013-M1059 HydrophobicContact CG2-SD 4.43Å; T1013-R1062 HydrophobicContact CG2-CB 4.45Å; T1013-R1062 HydrophobicContact CG2-CG 4.46Å; T1013-N1063 WeakPolarHBondContact CB-OD1 3.41Å; T1013-N1063 PolarHBondContact OG1-OD1 3.38Å; T1013-L1098 HydrophobicContact CG2-CD2 4.32Å
1014	L	89.8	Confident	86.6	Confident	46 Å²	46	77 Å²	77	24%	0.241	36%	0.359	C	S	.	.	H	α-helix	trans	-61.2	-48.7	173.6	-76.6	165.8	0	0	0	111.2	E1009 N1010 Q1011 E1012 L1016 F1017 H1018 M1059	E1009-L1014 HydrophobicContact CB-CD1 4.37Å; N1010-L1014 PolarHBondContact O-N 3.37Å; N1010-L1014 VanDerWaalsContact O-N 3.08Å; Q1011-L1014 PolarHBondContact O-N 3.32Å; E1012-L1014 VanDerWaalsContact C-N 3.34Å; L1014-L1016 VanDerWaalsContact C-N 3.32Å; L1014-L1016 PolarHBondContact O-N 2.95Å; L1014-F1017 PolarHBondContact O-N 2.52Å; L1014-H1018 PolarHBondContact O-N 3.17Å; L1014-H1018 PolarHBondContact O-ND1 3.34Å; L1014-M1059 HydrophobicContact CD2-CE 3.69Å; L1014-M1059 HydrophobicContact CD2-SD 3.61Å; L1014-M1059 HydrophobicContact CG-SD 4.34Å
1015	R	91.4	Very high	86.8	Confident	164 Å²	164	80.4 Å²	80.4	62%	0.619	37%	0.373	S	S	*	.	H	α-helix	trans	-58.6	-44.4	177.1	-74.2	174	-166.3	165.5	7.2	111.7	Q1011 E1012 F1017 H1018 E1019	Q1011-R1015 WeakPolarHBondContact O-CB 3.24Å; Q1011-R1015 VanDerWaalsContact O-CG 3.26Å; Q1011-R1015 WeakPolarHBondContact O-CG 3.39Å; Q1011-R1015 PolarHBondContact O-N 3.4Å; E1012-R1015 PolarHBondContact O-N 3.18Å; R1015-F1017 PolarHBondContact O-N 2.87Å; R1015-H1018 PolarHBondContact O-N 3.26Å; R1015-E1019 WeakPolarHBondContact O-CB 3.35Å; R1015-E1019 PolarHBondContact O-N 2.92Å
1016	L	90.5	Very high	86.9	Confident	17 Å²	17	77.2 Å²	77.2	9%	0.089	36%	0.357	C	S	.	.	H	α-helix	trans	-60.6	-44.7	177.5	176.8	64.8	0	0	0	112	E1012 T1013 L1014 E1019 L1020 L1098	E1012-L1016 WeakPolarHBondContact O-CB 3.22Å; E1012-L1016 PolarHBondContact O-N 2.95Å; T1013-L1016 PolarHBondContact O-N 3.24Å; L1014-L1016 VanDerWaalsContact C-N 3.32Å; L1014-L1016 PolarHBondContact O-N 2.95Å; L1016-E1019 WeakPolarHBondContact O-CB 3.37Å; L1016-E1019 PolarHBondContact O-N 3.32Å; L1016-L1020 HydrophobicContact CD1-CD1 4.47Å; L1016-L1020 HydrophobicContact CD1-CG 4.41Å; L1016-L1020 HydrophobicContact CG-CD1 4.32Å; L1016-L1020 VanDerWaalsContact O-CG 3.32Å; L1016-L1020 WeakPolarHBondContact O-CG 3.47Å; L1016-L1020 PolarHBondContact O-N 2.91Å; L1016-L1098 HydrophobicContact CD2-CD2 3.92Å; L1016-L1098 HydrophobicContact CG-CD2 4.17Å
1017	F	92	Very high	86.7	Confident	19 Å²	19	72.9 Å²	72.9	8%	0.083	35%	0.351	C	S	.	.	H	α-helix	trans	-62.6	-45.3	177.2	177.6	-108.1	0	0	0	111.8	T1013 L1014 R1015 E1019 L1020 I1021 L1048 T1055 M1059 L1091 A1094 L1098	T1013-F1017 PolarHBondContact O-N 2.98Å; L1014-F1017 PolarHBondContact O-N 2.52Å; R1015-F1017 PolarHBondContact O-N 2.87Å; F1017-E1019 VanDerWaalsContact C-N 3.31Å; F1017-E1019 PolarHBondContact O-N 3.26Å; F1017-L1020 PolarHBondContact O-N 3.17Å; F1017-I1021 HydrophobicContact CD2-CG1 4Å; F1017-I1021 HydrophobicContact CE1-CG1 4.16Å; F1017-I1021 HydrophobicContact CE2-CD1 4.07Å; F1017-I1021 HydrophobicContact CE2-CG1 3.5Å; F1017-I1021 VanDerWaalsContact CE2-CG1 3.5Å; F1017-I1021 HydrophobicContact CZ-CD1 4.34Å; F1017-I1021 HydrophobicContact CZ-CG1 3.58Å; F1017-I1021 PolarHBondContact O-N 3.16Å; F1017-L1048 HydrophobicContact CZ-CD2 4.22Å; F1017-T1055 HydrophobicContact CD1-CG2 4.2Å; F1017-T1055 HydrophobicContact CD2-CG2 4.19Å; F1017-T1055 HydrophobicContact CE1-CG2 3.66Å; F1017-T1055 HydrophobicContact CE2-CG2 3.63Å; F1017-T1055 HydrophobicContact CG-CG2 4.44Å; F1017-T1055 HydrophobicContact CZ-CG2 3.33Å; F1017-M1059 HydrophobicContact CB-SD 4.06Å; F1017-M1059 HydrophobicContact CD1-SD 4.33Å; F1017-M1059 HydrophobicContact CG-SD 4.24Å; F1017-L1091 HydrophobicContact CE2-CD1 4.06Å; F1017-L1091 HydrophobicContact CZ-CD1 3.94Å; F1017-A1094 HydrophobicContact CE2-CB 4.37Å; F1017-L1098 HydrophobicContact CB-CD1 4.21Å; F1017-L1098 HydrophobicContact CB-CD2 4.35Å; F1017-L1098 HydrophobicContact CD2-CD1 3.66Å; F1017-L1098 HydrophobicContact CE2-CD1 4.48Å; F1017-L1098 HydrophobicContact CG-CD1 4.27Å
1018	H	91.3	Very high	85.9	Confident	123 Å²	123	76 Å²	76	57%	0.569	37%	0.369	S	S	*	.	H	α-helix	trans	-61.8	-39.7	176.3	-72.6	88.5	0	0	0	111.7	L1014 R1015 S1022	L1014-H1018 PolarHBondContact O-N 3.17Å; L1014-H1018 PolarHBondContact O-ND1 3.34Å; R1015-H1018 PolarHBondContact O-N 3.26Å; H1018-S1022 WeakPolarHBondContact O-CB 3.23Å; H1018-S1022 PolarHBondContact O-N 3.06Å; H1018-S1022 PolarHBondContact O-OG 3.08Å
1019	E	90.8	Very high	85	Confident	102 Å²	102	76.7 Å²	76.7	48%	0.477	37%	0.369	S	S	.	.	H	α-helix	trans	-60.2	-48.4	174.8	-173.3	-172.4	165.8	0	0	111.5	R1015 L1016 F1017 S1022	R1015-E1019 WeakPolarHBondContact O-CB 3.35Å; R1015-E1019 PolarHBondContact O-N 2.92Å; L1016-E1019 WeakPolarHBondContact O-CB 3.37Å; L1016-E1019 PolarHBondContact O-N 3.32Å; F1017-E1019 VanDerWaalsContact C-N 3.31Å; F1017-E1019 PolarHBondContact O-N 3.26Å; E1019-S1022 PolarHBondContact O-OG 2.99Å
1020	L	90.4	Very high	84.4	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-61.9	-45.9	-179.7	-71.1	174.5	0	0	0	112.3	W740 E741 L1016 F1017 F1024 A1094 E1097	W740-L1020 HydrophobicContact CH2-CD2 4.41Å; W740-L1020 HydrophobicContact CZ2-CD2 4Å; E741-L1020 HydrophobicContact CG-CD2 4.39Å; E741-L1020 WeakPolarHBondContact OE1-CD2 3.42Å; L1016-L1020 HydrophobicContact CD1-CD1 4.47Å; L1016-L1020 HydrophobicContact CD1-CG 4.41Å; L1016-L1020 HydrophobicContact CG-CD1 4.32Å; L1016-L1020 VanDerWaalsContact O-CG 3.32Å; L1016-L1020 WeakPolarHBondContact O-CG 3.47Å; L1016-L1020 PolarHBondContact O-N 2.91Å; F1017-L1020 PolarHBondContact O-N 3.17Å; L1020-F1024 WeakPolarHBondContact O-CD2 3.4Å; L1020-A1094 HydrophobicContact CB-CB 4.37Å; L1020-A1094 HydrophobicContact CD1-CB 4.48Å; L1020-E1097 HydrophobicContact CD1-CB 4.09Å; L1020-E1097 HydrophobicContact CD1-CG 3.87Å; L1020-E1097 HydrophobicContact CD2-CG 4.26Å
1021	I	90.1	Very high	83.4	Confident	6 Å²	6	72 Å²	72	3%	0.031	35%	0.349	C	S	.	.	H	α-helix	trans	-79.8	-27.8	-176.2	-64.3	-60.5	0	0	0	112.4	F1017 K1023 F1024 K1025 V1043 L1048 L1091 A1094	F1017-I1021 HydrophobicContact CD2-CG1 4Å; F1017-I1021 HydrophobicContact CE1-CG1 4.16Å; F1017-I1021 HydrophobicContact CE2-CD1 4.07Å; F1017-I1021 HydrophobicContact CE2-CG1 3.5Å; F1017-I1021 VanDerWaalsContact CE2-CG1 3.5Å; F1017-I1021 HydrophobicContact CZ-CD1 4.34Å; F1017-I1021 HydrophobicContact CZ-CG1 3.58Å; F1017-I1021 PolarHBondContact O-N 3.16Å; I1021-K1023 PolarHBondContact O-N 2.87Å; I1021-F1024 PolarHBondContact O-N 3.46Å; I1021-K1025 HydrophobicContact CG2-CB 4.24Å; I1021-K1025 PolarHBondContact O-N 3.34Å; I1021-V1043 HydrophobicContact CD1-CG2 4.48Å; I1021-L1048 HydrophobicContact CG2-CD1 4.31Å; I1021-L1048 HydrophobicContact CG2-CD2 4.38Å; I1021-L1091 HydrophobicContact CD1-CD1 3.95Å; I1021-A1094 HydrophobicContact CD1-CB 3.55Å; I1021-A1094 HydrophobicContact CG1-CB 4.26Å
1022	S	87.9	Confident	82.2	Confident	77 Å²	77	69.8 Å²	69.8	54%	0.538	36%	0.361	S	S	.	.	H	α-helix	trans	-53.6	-32.7	-176.3	64.5	0	0	0	0	114.1	H1018 E1019 F1024	H1018-S1022 WeakPolarHBondContact O-CB 3.23Å; H1018-S1022 PolarHBondContact O-N 3.06Å; H1018-S1022 PolarHBondContact O-OG 3.08Å; E1019-S1022 PolarHBondContact O-OG 2.99Å; S1022-F1024 VanDerWaalsContact C-N 3.34Å
1023	K	84.9	Confident	81	Confident	108 Å²	108	71.1 Å²	71.1	47%	0.47	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-20.4	179.4	-61.8	177.1	-172.8	168.1	0	114	E741 I1021	E741-K1023 IonicContact OE2-NZ 3.55Å; E741-K1023 PolarHBondContact OE2-NZ 3.36Å; I1021-K1023 PolarHBondContact O-N 2.87Å
1024	F	88.2	Confident	80.2	Confident	8 Å²	8	73.3 Å²	73.3	4%	0.035	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118	-0.9	-172.6	-58.2	-82.1	0	0	0	113.2	W740 Y745 L1020 I1021 S1022 V1041 L1042 V1043 S1090	W740-F1024 HydrophobicContact CE3-CE2 4.29Å; W740-F1024 HydrophobicContact CE3-CZ 4.24Å; W740-F1024 HydrophobicContact CH2-CE2 4.27Å; W740-F1024 HydrophobicContact CZ3-CD2 4.24Å; W740-F1024 AromaticContact CZ3-CE2 3.59Å; W740-F1024 HydrophobicContact CZ3-CE2 3.59Å; W740-F1024 AromaticContact CZ3-CZ 3.98Å; W740-F1024 HydrophobicContact CZ3-CZ 3.98Å; Y745-F1024 HydrophobicContact CD1-CE1 4.42Å; Y745-F1024 AromaticContact CE1-CD1 3.98Å; Y745-F1024 HydrophobicContact CE1-CD1 3.98Å; Y745-F1024 AromaticContact CE1-CE1 3.82Å; Y745-F1024 HydrophobicContact CE1-CE1 3.82Å; L1020-F1024 WeakPolarHBondContact O-CD2 3.4Å; I1021-F1024 PolarHBondContact O-N 3.46Å; S1022-F1024 VanDerWaalsContact C-N 3.34Å; F1024-V1041 HydrophobicContact CD1-CG1 4.2Å; F1024-V1041 HydrophobicContact CE1-CG1 4.38Å; F1024-L1042 HydrophobicContact CB-CD2 4.33Å; F1024-L1042 HydrophobicContact CD1-CD2 4.5Å; F1024-L1042 WeakPolarHBondContact O-CA 3.33Å; F1024-L1042 WeakPolarHBondContact O-CD2 3.49Å; F1024-V1043 HydrophobicContact CB-CG2 4.44Å; F1024-V1043 PolarHBondContact O-N 2.89Å; F1024-S1090 WeakPolarHBondContact CB-OG 3.46Å
1025	K	85.9	Confident	79.6	Confident	100 Å²	100	79.3 Å²	79.3	44%	0.435	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	132.4	-177.3	-174.5	176.4	177.8	172.2	0	111.3	I1021 V1043 D1045 L1048	I1021-K1025 HydrophobicContact CG2-CB 4.24Å; I1021-K1025 PolarHBondContact O-N 3.34Å; K1025-V1043 WeakPolarHBondContact CA-O 3.49Å; K1025-D1045 WeakPolarHBondContact CE-OD1 2.81Å; K1025-D1045 IonicContact NZ-OD1 3.42Å; K1025-D1045 PolarHBondContact NZ-OD1 3.35Å; K1025-L1048 HydrophobicContact CD-CD1 4.28Å
1026	V	83.2	Confident	78.7	Confident	21 Å²	21	76.8 Å²	76.8	13%	0.127	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	143	178.1	-173.1	0	0	0	0	110.2	T1030 I1031 I1034 L1042 V1043	V1026-T1030 VanDerWaalsContact CG1-CB 3.48Å; V1026-T1030 HydrophobicContact CG1-CG2 4Å; V1026-I1031 HydrophobicContact CB-CG1 4.48Å; V1026-I1034 HydrophobicContact CG1-CD1 4.28Å; V1026-L1042 HydrophobicContact CG2-CB 3.86Å; V1026-L1042 HydrophobicContact CG2-CD1 3.92Å; V1026-L1042 HydrophobicContact CG2-CD2 4.04Å; V1026-L1042 HydrophobicContact CG2-CG 4.14Å; V1026-V1043 PolarHBondContact N-O 3.49Å
1027	P	76	Confident	78.2	Confident	85 Å²	85	78.2 Å²	78.2	55%	0.552	41%	0.411	S	S	*	.			trans	-61.4	143.8	176.7	-20.7	31.8	0	0	0	112.6	T1030	P1027-T1030 WeakPolarHBondContact O-CB 2.96Å; P1027-T1030 PolarHBondContact O-N 3.28Å; P1027-T1030 PolarHBondContact O-OG1 3.16Å
1028	N	64.9	Low	77.6	Confident	91 Å²	91	78.1 Å²	78.1	49%	0.487	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	138	176	-150.5	-5.9	0	0	0	110.9
1029	K	60.3	Low	77	Confident	189 Å²	189	73.3 Å²	73.3	82%	0.822	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.3	-14.4	-169	-55.7	178.2	177	179	0	118
1030	T	63.6	Low	76.5	Confident	51 Å²	51	69.9 Å²	69.9	31%	0.313	38%	0.382	S	S	.	.	S	Bend	trans	-83.2	-31.3	-177.7	-31.5	0	0	0	0	112.5	V1026 P1027 G1032 Q1033 I1034	V1026-T1030 VanDerWaalsContact CG1-CB 3.48Å; V1026-T1030 HydrophobicContact CG1-CG2 4Å; P1027-T1030 WeakPolarHBondContact O-CB 2.96Å; P1027-T1030 PolarHBondContact O-N 3.28Å; P1027-T1030 PolarHBondContact O-OG1 3.16Å; T1030-G1032 VanDerWaalsContact C-N 3.29Å; T1030-G1032 PolarHBondContact O-N 3.05Å; T1030-Q1033 WeakPolarHBondContact O-CB 3.42Å; T1030-Q1033 PolarHBondContact O-N 3.12Å; T1030-I1034 HydrophobicContact CG2-CD1 4.5Å
1031	I	62.9	Low	76.3	Confident	34 Å²	34	69.9 Å²	69.9	17%	0.174	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-60.8	-35.9	-174	-64.6	-171.4	0	0	0	112.6	V1026 Q1033 I1034 A1039 D1044	V1026-I1031 HydrophobicContact CB-CG1 4.48Å; I1031-Q1033 PolarHBondContact O-N 2.73Å; I1031-I1034 PolarHBondContact O-N 2.65Å; I1031-A1039 HydrophobicContact CG2-CB 4.28Å; I1031-D1044 HydrophobicContact CD1-CB 3.52Å; I1031-D1044 HydrophobicContact CG1-CB 4.28Å
1032	G	63.9	Low	76.1	Confident	83 Å²	83	70.4 Å²	70.4	86%	0.856	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-64.5	-10.2	176.8	0	0	0	0	0	115	T1030	T1030-G1032 VanDerWaalsContact C-N 3.29Å; T1030-G1032 PolarHBondContact O-N 3.05Å
1033	Q	62.7	Low	76	Confident	166 Å²	166	66.7 Å²	66.7	78%	0.776	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-104.5	-6.6	176.2	-60.3	179.6	-8.1	0	0	113	T1030 I1031	T1030-Q1033 WeakPolarHBondContact O-CB 3.42Å; T1030-Q1033 PolarHBondContact O-N 3.12Å; I1031-Q1033 PolarHBondContact O-N 2.73Å
1034	I	74.6	Confident	76	Confident	49 Å²	49	63.1 Å²	63.1	25%	0.251	35%	0.345	S	S	.	.	S	Bend	trans	-91.7	131	-176.4	-62.2	174	0	0	0	109	V1026 T1030 I1031 A1038 A1039 L1042	V1026-I1034 HydrophobicContact CG1-CD1 4.28Å; T1030-I1034 HydrophobicContact CG2-CD1 4.5Å; I1031-I1034 PolarHBondContact O-N 2.65Å; I1034-A1038 HydrophobicContact CG2-CB 3.63Å; I1034-A1039 HydrophobicContact CB-CB 4.39Å; I1034-A1039 HydrophobicContact CG2-CB 4.34Å; I1034-A1039 WeakPolarHBondContact O-CB 3.28Å; I1034-L1042 HydrophobicContact CD1-CD1 3.77Å; I1034-L1042 HydrophobicContact CG2-CD1 4.32Å
1035	E	76	Confident	75.8	Confident	172 Å²	172	65.4 Å²	65.4	80%	0.804	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-74.1	152.1	176.2	-67	-175.3	169.8	0	0	112.1	A1038 A1039	E1035-A1038 PolarHBondContact O-N 3.44Å; E1035-A1038 VanDerWaalsContact O-N 3.16Å; E1035-A1039 PolarHBondContact O-N 2.92Å
1036	E	73.3	Confident	75.7	Confident	112 Å²	112	62.4 Å²	62.4	52%	0.523	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	139.3	170.2	-75	-80.5	-136.7	0	0	110.1	K749 S1040	K749-E1036 IonicContact NZ-OE1 2.82Å; K749-E1036 PolarHBondContact NZ-OE1 3.49Å; K749-E1036 IonicContact NZ-OE2 3.58Å; K749-E1036 PolarHBondContact NZ-OE2 3.01Å; E1036-S1040 WeakPolarHBondContact OE2-CB 3.45Å; E1036-S1040 PolarHBondContact OE2-N 3.34Å; E1036-S1040 PolarHBondContact OE2-OG 3.03Å
1037	P	78.9	Confident	75.7	Confident	46 Å²	46	62.3 Å²	62.3	30%	0.299	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	cis	-89.5	-7.7	18.7	34.2	-36.5	0	0	0	116	A746 K749 A1039 S1040	A746-P1037 HydrophobicContact CB-CB 4.48Å; A746-P1037 HydrophobicContact CB-CG 4.1Å; K749-P1037 HydrophobicContact CB-CB 4.49Å; K749-P1037 HydrophobicContact CD-CB 3.72Å; P1037-A1039 PolarHBondContact O-N 3.13Å; P1037-S1040 PolarHBondContact O-N 3.14Å; P1037-S1040 PolarHBondContact O-OG 2.96Å
1038	A	80.2	Confident	76.2	Confident	17 Å²	17	59.7 Å²	59.7	14%	0.14	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-68	-36.8	-169.3	0	0	0	0	0	112.9	Y745 I1034 E1035 S1040 V1041 L1042	Y745-A1038 HydrophobicContact CD2-CB 3.88Å; Y745-A1038 HydrophobicContact CE2-CB 4.3Å; I1034-A1038 HydrophobicContact CG2-CB 3.63Å; E1035-A1038 PolarHBondContact O-N 3.44Å; E1035-A1038 VanDerWaalsContact O-N 3.16Å; A1038-S1040 VanDerWaalsContact C-N 3.28Å; A1038-S1040 PolarHBondContact O-N 2.68Å; A1038-V1041 PolarHBondContact O-N 3.37Å; A1038-L1042 HydrophobicContact CB-CD1 4.14Å; A1038-L1042 WeakPolarHBondContact O-CG 3.47Å; A1038-L1042 PolarHBondContact O-N 2.99Å
1039	A	78.8	Confident	77.2	Confident	23 Å²	23	60.4 Å²	60.4	19%	0.19	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-57.6	-36	179.4	0	0	0	0	0	113.9	I1031 I1034 E1035 P1037 V1041	I1031-A1039 HydrophobicContact CG2-CB 4.28Å; I1034-A1039 HydrophobicContact CB-CB 4.39Å; I1034-A1039 HydrophobicContact CG2-CB 4.34Å; I1034-A1039 WeakPolarHBondContact O-CB 3.28Å; E1035-A1039 PolarHBondContact O-N 2.92Å; P1037-A1039 PolarHBondContact O-N 3.13Å; A1039-V1041 VanDerWaalsContact C-N 3.32Å
1040	S	80.1	Confident	78.3	Confident	30 Å²	30	55 Å²	55	21%	0.21	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-79.9	-11.1	178.3	61.2	0	0	0	0	114.5	K749 E1036 P1037 A1038 A1089	K749-S1040 WeakPolarHBondContact CD-OG 3.39Å; K749-S1040 WeakPolarHBondContact CE-OG 3.38Å; K749-S1040 WeakPolarHBondContact CG-OG 3.23Å; E1036-S1040 WeakPolarHBondContact OE2-CB 3.45Å; E1036-S1040 PolarHBondContact OE2-N 3.34Å; E1036-S1040 PolarHBondContact OE2-OG 3.03Å; P1037-S1040 PolarHBondContact O-N 3.14Å; P1037-S1040 PolarHBondContact O-OG 2.96Å; A1038-S1040 VanDerWaalsContact C-N 3.28Å; A1038-S1040 PolarHBondContact O-N 2.68Å; S1040-A1089 PolarHBondContact O-N 3.31Å
1041	V	85.5	Confident	79.4	Confident	0 Å²	0	53 Å²	53	0%	0	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-37.9	-179.3	-179.2	0	0	0	0	111.7	Y745 V748 K749 F1024 A1038 A1039 A1089 S1090	Y745-V1041 HydrophobicContact CD1-CB 4.24Å; Y745-V1041 HydrophobicContact CD1-CG1 3.8Å; Y745-V1041 HydrophobicContact CE1-CG1 4.35Å; Y745-V1041 WeakPolarHBondContact O-CG2 3.44Å; V748-V1041 HydrophobicContact CB-CG1 4.37Å; V748-V1041 HydrophobicContact CB-CG2 4.36Å; V748-V1041 HydrophobicContact CG1-CG1 3.89Å; V748-V1041 HydrophobicContact CG1-CG2 4.32Å; K749-V1041 HydrophobicContact CB-CG2 4.03Å; F1024-V1041 HydrophobicContact CD1-CG1 4.2Å; F1024-V1041 HydrophobicContact CE1-CG1 4.38Å; A1038-V1041 PolarHBondContact O-N 3.37Å; A1039-V1041 VanDerWaalsContact C-N 3.32Å; V1041-A1089 HydrophobicContact CG2-CB 4.28Å; V1041-S1090 WeakPolarHBondContact O-CB 3.49Å; V1041-S1090 PolarHBondContact O-N 3Å; V1041-S1090 PolarHBondContact O-OG 2.98Å
1042	L	87.2	Confident	80.6	Confident	16 Å²	16	59.1 Å²	59.1	8%	0.084	33%	0.329	C	S	.	.			trans	-74.6	150	-176.7	-64	167.5	0	0	0	111.9	F1024 V1026 I1034 A1038 S1088	F1024-L1042 HydrophobicContact CB-CD2 4.33Å; F1024-L1042 HydrophobicContact CD1-CD2 4.5Å; F1024-L1042 WeakPolarHBondContact O-CA 3.33Å; F1024-L1042 WeakPolarHBondContact O-CD2 3.49Å; V1026-L1042 HydrophobicContact CG2-CB 3.86Å; V1026-L1042 HydrophobicContact CG2-CD1 3.92Å; V1026-L1042 HydrophobicContact CG2-CD2 4.04Å; V1026-L1042 HydrophobicContact CG2-CG 4.14Å; I1034-L1042 HydrophobicContact CD1-CD1 3.77Å; I1034-L1042 HydrophobicContact CG2-CD1 4.32Å; A1038-L1042 HydrophobicContact CB-CD1 4.14Å; A1038-L1042 WeakPolarHBondContact O-CG 3.47Å; A1038-L1042 PolarHBondContact O-N 2.99Å; L1042-S1088 WeakPolarHBondContact O-CB 3.46Å
1043	V	85.4	Confident	81.6	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	132.4	-176.1	-161	0	0	0	0	109.9	I1021 F1024 K1025 V1026 E1047 L1048 S1088 S1090 L1091	I1021-V1043 HydrophobicContact CD1-CG2 4.48Å; F1024-V1043 HydrophobicContact CB-CG2 4.44Å; F1024-V1043 PolarHBondContact O-N 2.89Å; K1025-V1043 WeakPolarHBondContact CA-O 3.49Å; V1026-V1043 PolarHBondContact N-O 3.49Å; V1043-E1047 HydrophobicContact CG1-CB 4.28Å; V1043-E1047 HydrophobicContact CG1-CG 4.35Å; V1043-L1048 HydrophobicContact CG1-CD1 4.43Å; V1043-L1048 HydrophobicContact CG1-CD2 3.99Å; V1043-L1048 HydrophobicContact CG1-CG 3.78Å; V1043-S1088 WeakPolarHBondContact CG2-OG 3.13Å; V1043-S1090 WeakPolarHBondContact CG2-OG 3.23Å; V1043-L1091 HydrophobicContact CG1-CB 4.23Å; V1043-L1091 HydrophobicContact CG1-CD2 4.21Å; V1043-L1091 HydrophobicContact CG2-CB 4.09Å
1044	D	84.7	Confident	82.8	Confident	32 Å²	32	50.3 Å²	50.3	17%	0.171	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	167	169.5	65.6	30.6	0	0	0	113.4	I1031 A1046 E1047 L1048	I1031-D1044 HydrophobicContact CD1-CB 3.52Å; I1031-D1044 HydrophobicContact CG1-CB 4.28Å; D1044-A1046 PolarHBondContact O-N 3.04Å; D1044-A1046 PolarHBondContact OD1-N 3.18Å; D1044-A1046 VanDerWaalsContact OD1-N 3.12Å; D1044-E1047 PolarHBondContact O-N 3.02Å; D1044-E1047 WeakPolarHBondContact OD1-CB 3.1Å; D1044-E1047 PolarHBondContact OD1-N 2.96Å; D1044-L1048 PolarHBondContact O-N 3.17Å
1045	D	84.5	Confident	83.5	Confident	57 Å²	57	48.2 Å²	48.2	31%	0.305	26%	0.262	S	S	.	.	H	α-helix	trans	-64.5	-26.6	177.1	-72.8	-54.7	0	0	0	113.2	K1025 T1049	K1025-D1045 WeakPolarHBondContact CE-OD1 2.81Å; K1025-D1045 IonicContact NZ-OD1 3.42Å; K1025-D1045 PolarHBondContact NZ-OD1 3.35Å; D1045-T1049 WeakPolarHBondContact O-CB 3.39Å; D1045-T1049 PolarHBondContact O-N 3.21Å; D1045-T1049 VanDerWaalsContact O-N 3.1Å; D1045-T1049 PolarHBondContact O-OG1 3.42Å
1046	A	82.6	Confident	84.1	Confident	36 Å²	36	42.5 Å²	42.5	30%	0.298	24%	0.235	S	C	.	.	H	α-helix	trans	-72.7	-42.4	179.9	0	0	0	0	0	111.1	D1044 T1049 T1050	D1044-A1046 PolarHBondContact O-N 3.04Å; D1044-A1046 PolarHBondContact OD1-N 3.18Å; D1044-A1046 VanDerWaalsContact OD1-N 3.12Å; A1046-T1049 PolarHBondContact O-N 2.87Å; A1046-T1050 WeakPolarHBondContact O-CB 3.25Å; A1046-T1050 PolarHBondContact O-N 2.87Å; A1046-T1050 PolarHBondContact O-OG1 3.46Å
1047	E	84	Confident	84.9	Confident	19 Å²	19	38 Å²	38	9%	0.089	21%	0.213	C	C	.	.	H	α-helix	trans	-61.8	-47.4	174.6	-172.6	-172.1	162.8	0	0	110.6	V1043 D1044 T1049 T1050 F1051 S1088 L1091	V1043-E1047 HydrophobicContact CG1-CB 4.28Å; V1043-E1047 HydrophobicContact CG1-CG 4.35Å; D1044-E1047 PolarHBondContact O-N 3.02Å; D1044-E1047 WeakPolarHBondContact OD1-CB 3.1Å; D1044-E1047 PolarHBondContact OD1-N 2.96Å; E1047-T1049 VanDerWaalsContact C-N 3.25Å; E1047-T1049 PolarHBondContact O-N 3.45Å; E1047-T1050 WeakPolarHBondContact O-CB 3.4Å; E1047-T1050 PolarHBondContact O-N 2.97Å; E1047-T1050 VanDerWaalsContact O-N 3.1Å; E1047-F1051 HydrophobicContact CG-CD2 3.92Å; E1047-F1051 HydrophobicContact CG-CE2 4.14Å; E1047-F1051 WeakPolarHBondContact O-CD2 3.2Å; E1047-F1051 PolarHBondContact O-N 3.22Å; E1047-S1088 VanDerWaalsContact CD-OG 3.25Å; E1047-S1088 VanDerWaalsContact OE1-CB 3.31Å; E1047-S1088 WeakPolarHBondContact OE1-CB 3.32Å; E1047-S1088 PolarHBondContact OE1-N 3.09Å; E1047-S1088 PolarHBondContact OE1-OG 3.01Å; E1047-S1088 VanDerWaalsContact OE2-CB 3.27Å; E1047-S1088 WeakPolarHBondContact OE2-CB 3.48Å; E1047-S1088 PolarHBondContact OE2-OG 3.22Å; E1047-S1088 VanDerWaalsContact OE2-OG 3.07Å; E1047-L1091 HydrophobicContact CG-CD2 3.97Å; E1047-L1091 WeakPolarHBondContact OE1-CD2 3.39Å
1048	L	85.6	Confident	85.5	Confident	31 Å²	31	35.9 Å²	35.9	16%	0.162	20%	0.2	C	C	.	.	H	α-helix	trans	-59.1	-37	175.5	-74.1	173.7	0	0	0	112.5	F1017 I1021 K1025 V1043 D1044 R1052 L1091	F1017-L1048 HydrophobicContact CZ-CD2 4.22Å; I1021-L1048 HydrophobicContact CG2-CD1 4.31Å; I1021-L1048 HydrophobicContact CG2-CD2 4.38Å; K1025-L1048 HydrophobicContact CD-CD1 4.28Å; V1043-L1048 HydrophobicContact CG1-CD1 4.43Å; V1043-L1048 HydrophobicContact CG1-CD2 3.99Å; V1043-L1048 HydrophobicContact CG1-CG 3.78Å; D1044-L1048 PolarHBondContact O-N 3.17Å; L1048-R1052 WeakPolarHBondContact O-CA 3.5Å; L1048-R1052 WeakPolarHBondContact O-CB 3.41Å; L1048-R1052 PolarHBondContact O-N 3.25Å; L1048-R1052 VanDerWaalsContact O-N 3.13Å; L1048-L1091 HydrophobicContact CD2-CD1 3.9Å; L1048-L1091 HydrophobicContact CD2-CD2 4.33Å
1049	T	85.7	Confident	86	Confident	105 Å²	105	36 Å²	36	64%	0.644	20%	0.198	S	C	*	.	H	α-helix	trans	-70.5	-40.7	176	-55.5	0	0	0	0	111.1	D1045 A1046 E1047 F1051 R1052	D1045-T1049 WeakPolarHBondContact O-CB 3.39Å; D1045-T1049 PolarHBondContact O-N 3.21Å; D1045-T1049 VanDerWaalsContact O-N 3.1Å; D1045-T1049 PolarHBondContact O-OG1 3.42Å; A1046-T1049 PolarHBondContact O-N 2.87Å; E1047-T1049 VanDerWaalsContact C-N 3.25Å; E1047-T1049 PolarHBondContact O-N 3.45Å; T1049-F1051 PolarHBondContact O-N 3.44Å; T1049-R1052 WeakPolarHBondContact O-CB 3.21Å; T1049-R1052 PolarHBondContact O-N 3.48Å
1050	T	84.2	Confident	86.6	Confident	76 Å²	76	36.4 Å²	36.4	47%	0.466	20%	0.195	S	C	.	.	H	α-helix	trans	-64.5	-40.1	-179.4	-57.5	0	0	0	0	112.1	V84 A1046 E1047	V84-T1050 HydrophobicContact CG2-CG2 4.33Å; A1046-T1050 WeakPolarHBondContact O-CB 3.25Å; A1046-T1050 PolarHBondContact O-N 2.87Å; A1046-T1050 PolarHBondContact O-OG1 3.46Å; E1047-T1050 WeakPolarHBondContact O-CB 3.4Å; E1047-T1050 PolarHBondContact O-N 2.97Å; E1047-T1050 VanDerWaalsContact O-N 3.1Å
1051	F	87.4	Confident	87.1	Confident	9 Å²	9	35 Å²	35	4%	0.039	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	20.1	-178.5	-63.5	-80.8	0	0	0	114.2	V84 E1047 T1049 S1053 T1054 T1055 A1086 L1087 L1091 W1095	V84-F1051 HydrophobicContact CG1-CD1 3.99Å; V84-F1051 HydrophobicContact CG1-CE1 3.61Å; V84-F1051 HydrophobicContact CG1-CZ 4.47Å; E1047-F1051 HydrophobicContact CG-CD2 3.92Å; E1047-F1051 HydrophobicContact CG-CE2 4.14Å; E1047-F1051 WeakPolarHBondContact O-CD2 3.2Å; E1047-F1051 PolarHBondContact O-N 3.22Å; T1049-F1051 PolarHBondContact O-N 3.44Å; F1051-S1053 PolarHBondContact O-N 3.39Å; F1051-T1054 PolarHBondContact O-N 3.24Å; F1051-T1055 WeakPolarHBondContact O-CB 3.48Å; F1051-T1055 PolarHBondContact O-N 3.45Å; F1051-T1055 PolarHBondContact O-OG1 2.87Å; F1051-A1086 HydrophobicContact CE2-CB 4.44Å; F1051-A1086 WeakPolarHBondContact CE2-O 3.42Å; F1051-A1086 HydrophobicContact CZ-CB 4.08Å; F1051-L1087 HydrophobicContact CD1-CD1 4.42Å; F1051-L1087 HydrophobicContact CD2-CD1 3.81Å; F1051-L1087 HydrophobicContact CE1-CD1 4.4Å; F1051-L1087 HydrophobicContact CE2-CB 4.4Å; F1051-L1087 HydrophobicContact CE2-CD1 3.82Å; F1051-L1087 HydrophobicContact CG-CD1 4.13Å; F1051-L1087 HydrophobicContact CZ-CB 4.3Å; F1051-L1087 HydrophobicContact CZ-CD1 4.12Å; F1051-L1091 HydrophobicContact CB-CD2 4.43Å; F1051-L1091 HydrophobicContact CD2-CD2 4.48Å; F1051-W1095 HydrophobicContact CB-CH2 3.91Å; F1051-W1095 HydrophobicContact CB-CZ2 3.72Å; F1051-W1095 AromaticContact CD1-CH2 3.84Å; F1051-W1095 HydrophobicContact CD1-CH2 3.84Å; F1051-W1095 HydrophobicContact CG-CH2 4.01Å; F1051-W1095 HydrophobicContact CG-CZ2 4.29Å
1052	R	87.8	Confident	87.5	Confident	162 Å²	162	35.6 Å²	35.6	61%	0.611	19%	0.188	S	C	*	.	H	α-helix	trans	-55.7	-50.3	-178.2	178.4	176.3	176	168.5	2.6	112.5	L1048 T1049 T1055 E1056	L1048-R1052 WeakPolarHBondContact O-CA 3.5Å; L1048-R1052 WeakPolarHBondContact O-CB 3.41Å; L1048-R1052 PolarHBondContact O-N 3.25Å; L1048-R1052 VanDerWaalsContact O-N 3.13Å; T1049-R1052 WeakPolarHBondContact O-CB 3.21Å; T1049-R1052 PolarHBondContact O-N 3.48Å; R1052-T1055 WeakPolarHBondContact O-CB 3.42Å; R1052-T1055 PolarHBondContact O-N 3.08Å; R1052-E1056 HydrophobicContact CG-CG 4.46Å; R1052-E1056 WeakPolarHBondContact CG-OE1 3.28Å; R1052-E1056 IonicContact CZ-OE1 2.66Å; R1052-E1056 IonicContact NE-OE1 3.82Å; R1052-E1056 PolarHBondContact NE-OE1 3.38Å; R1052-E1056 IonicContact NH2-OE1 2.69Å; R1052-E1056 WeakPolarHBondContact O-CG 3.43Å; R1052-E1056 PolarHBondContact O-N 3.32Å
1053	S	84.9	Confident	87.7	Confident	46 Å²	46	35.5 Å²	35.5	32%	0.322	19%	0.187	S	C	.	.	H	α-helix	trans	-60.2	-44	179.1	44.7	0	0	0	0	113.1	T85 F1051 T1055 E1056 R1057	T85-S1053 WeakPolarHBondContact CG2-OG 2.78Å; F1051-S1053 PolarHBondContact O-N 3.39Å; S1053-T1055 VanDerWaalsContact C-N 3.32Å; S1053-T1055 PolarHBondContact O-N 2.57Å; S1053-E1056 PolarHBondContact O-N 3.03Å; S1053-R1057 WeakPolarHBondContact O-CB 3.36Å; S1053-R1057 PolarHBondContact O-N 3.1Å
1054	T	87	Confident	88	Confident	18 Å²	18	36.4 Å²	36.4	11%	0.11	19%	0.192	C	C	.	.	H	α-helix	trans	-62.2	-42.1	174.2	-55.5	0	0	0	0	111.1	F1051 R1057 I1058 W1095	F1051-T1054 PolarHBondContact O-N 3.24Å; T1054-R1057 PolarHBondContact O-N 3.01Å; T1054-I1058 HydrophobicContact CG2-CD1 3.92Å; T1054-I1058 WeakPolarHBondContact O-CD1 3.23Å; T1054-I1058 VanDerWaalsContact O-CG1 3.26Å; T1054-I1058 WeakPolarHBondContact O-CG1 3.23Å; T1054-I1058 PolarHBondContact O-N 2.89Å; T1054-W1095 HydrophobicContact CG2-CE3 4.35Å; T1054-W1095 HydrophobicContact CG2-CH2 3.59Å; T1054-W1095 HydrophobicContact CG2-CZ2 3.94Å; T1054-W1095 HydrophobicContact CG2-CZ3 3.81Å
1055	T	90.2	Very high	88.3	Confident	6 Å²	6	34.9 Å²	34.9	4%	0.037	18%	0.184	C	C	.	.	H	α-helix	trans	-63.6	-45.7	177.2	-56.2	0	0	0	0	111.3	F1017 F1051 R1052 S1053 R1057 I1058 M1059 W1095	F1017-T1055 HydrophobicContact CD1-CG2 4.2Å; F1017-T1055 HydrophobicContact CD2-CG2 4.19Å; F1017-T1055 HydrophobicContact CE1-CG2 3.66Å; F1017-T1055 HydrophobicContact CE2-CG2 3.63Å; F1017-T1055 HydrophobicContact CG-CG2 4.44Å; F1017-T1055 HydrophobicContact CZ-CG2 3.33Å; F1051-T1055 WeakPolarHBondContact O-CB 3.48Å; F1051-T1055 PolarHBondContact O-N 3.45Å; F1051-T1055 PolarHBondContact O-OG1 2.87Å; R1052-T1055 WeakPolarHBondContact O-CB 3.42Å; R1052-T1055 PolarHBondContact O-N 3.08Å; S1053-T1055 VanDerWaalsContact C-N 3.32Å; S1053-T1055 PolarHBondContact O-N 2.57Å; T1055-R1057 PolarHBondContact O-N 3.29Å; T1055-I1058 PolarHBondContact O-N 3.08Å; T1055-M1059 HydrophobicContact CG2-CE 4.18Å; T1055-M1059 WeakPolarHBondContact O-CG 3.45Å; T1055-M1059 PolarHBondContact O-N 3.5Å; T1055-W1095 PolarHBondContact OG1-NE1 2.69Å
1056	E	89.3	Confident	88.6	Confident	51 Å²	51	34.3 Å²	34.3	24%	0.238	18%	0.181	C	C	.	.	H	α-helix	trans	-58.7	-45.7	175.3	-74.7	172.3	-175.2	0	0	111.6	R1052 S1053 I1058 M1059 K1060	R1052-E1056 HydrophobicContact CG-CG 4.46Å; R1052-E1056 WeakPolarHBondContact CG-OE1 3.28Å; R1052-E1056 IonicContact CZ-OE1 2.66Å; R1052-E1056 IonicContact NE-OE1 3.82Å; R1052-E1056 PolarHBondContact NE-OE1 3.38Å; R1052-E1056 IonicContact NH2-OE1 2.69Å; R1052-E1056 WeakPolarHBondContact O-CG 3.43Å; R1052-E1056 PolarHBondContact O-N 3.32Å; S1053-E1056 PolarHBondContact O-N 3.03Å; E1056-I1058 VanDerWaalsContact C-N 3.34Å; E1056-I1058 PolarHBondContact O-N 3.08Å; E1056-M1059 HydrophobicContact CB-CE 4.45Å; E1056-M1059 HydrophobicContact CG-CE 4.06Å; E1056-M1059 PolarHBondContact O-N 2.9Å; E1056-K1060 WeakPolarHBondContact O-CG 3.29Å; E1056-K1060 PolarHBondContact O-N 3.07Å
1057	R	89.1	Confident	88.9	Confident	17 Å²	17	37.8 Å²	37.8	6%	0.064	20%	0.198	C	C	.	.	H	α-helix	trans	-59.7	-41.9	175.8	-173	171.7	173.6	111.8	-4	112.4	E90 L941 I971 E1004 S1053 T1054 T1055 K1060 A1061	E90-R1057 IonicContact OE1-NH1 3.41Å; E90-R1057 IonicContact OE2-CZ 2.82Å; E90-R1057 IonicContact OE2-NH1 3.18Å; E90-R1057 PolarHBondContact OE2-NH1 3.36Å; E90-R1057 IonicContact OE2-NH2 3.63Å; E90-R1057 PolarHBondContact OE2-NH2 2.87Å; L941-R1057 PolarHBondContact O-NH2 2.76Å; I971-R1057 PolarHBondContact O-NH2 3.16Å; E1004-R1057 WeakPolarHBondContact OE1-CB 3.19Å; E1004-R1057 IonicContact OE2-CZ 2.77Å; E1004-R1057 IonicContact OE2-NH1 2.98Å; E1004-R1057 PolarHBondContact OE2-NH1 2.96Å; S1053-R1057 WeakPolarHBondContact O-CB 3.36Å; S1053-R1057 PolarHBondContact O-N 3.1Å; T1054-R1057 PolarHBondContact O-N 3.01Å; T1055-R1057 PolarHBondContact O-N 3.29Å; R1057-K1060 PolarHBondContact O-N 2.97Å; R1057-A1061 WeakPolarHBondContact O-CB 3.44Å; R1057-A1061 PolarHBondContact O-N 3.21Å
1058	I	91.1	Very high	89.3	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-67.7	-40.5	178.3	-71	166.9	0	0	0	111.5	T1054 T1055 E1056 A1061 R1062 P1080 W1095 L1098 L1099	T1054-I1058 HydrophobicContact CG2-CD1 3.92Å; T1054-I1058 WeakPolarHBondContact O-CD1 3.23Å; T1054-I1058 VanDerWaalsContact O-CG1 3.26Å; T1054-I1058 WeakPolarHBondContact O-CG1 3.23Å; T1054-I1058 PolarHBondContact O-N 2.89Å; T1055-I1058 PolarHBondContact O-N 3.08Å; E1056-I1058 VanDerWaalsContact C-N 3.34Å; E1056-I1058 PolarHBondContact O-N 3.08Å; I1058-A1061 PolarHBondContact O-N 3.07Å; I1058-R1062 PolarHBondContact O-N 3.48Å; I1058-P1080 HydrophobicContact CD1-CG 4.13Å; I1058-W1095 HydrophobicContact CD1-CB 3.75Å; I1058-W1095 HydrophobicContact CD1-CD2 3.44Å; I1058-W1095 VanDerWaalsContact CD1-CD2 3.44Å; I1058-W1095 HydrophobicContact CD1-CE3 3.77Å; I1058-W1095 HydrophobicContact CD1-CG 3.42Å; I1058-W1095 VanDerWaalsContact CD1-CG 3.42Å; I1058-W1095 HydrophobicContact CG2-CB 4.37Å; I1058-L1098 HydrophobicContact CG2-CB 4.09Å; I1058-L1098 HydrophobicContact CG2-CD1 4.17Å; I1058-L1099 HydrophobicContact CG2-CD1 4.45Å; I1058-L1099 HydrophobicContact CG2-CD2 3.98Å; I1058-L1099 HydrophobicContact CG2-CG 3.92Å
1059	M	91.1	Very high	89.6	Confident	21 Å²	21	38.2 Å²	38.2	10%	0.103	20%	0.199	C	C	.	.	H	α-helix	trans	-63	-43.4	174.6	-71.4	-171.6	-63.2	0	0	111.7	T1013 L1014 F1017 T1055 E1056 R1062 N1063 L1098	T1013-M1059 HydrophobicContact CG2-CB 3.7Å; T1013-M1059 HydrophobicContact CG2-CG 3.79Å; T1013-M1059 HydrophobicContact CG2-SD 4.43Å; L1014-M1059 HydrophobicContact CD2-CE 3.69Å; L1014-M1059 HydrophobicContact CD2-SD 3.61Å; L1014-M1059 HydrophobicContact CG-SD 4.34Å; F1017-M1059 HydrophobicContact CB-SD 4.06Å; F1017-M1059 HydrophobicContact CD1-SD 4.33Å; F1017-M1059 HydrophobicContact CG-SD 4.24Å; T1055-M1059 HydrophobicContact CG2-CE 4.18Å; T1055-M1059 WeakPolarHBondContact O-CG 3.45Å; T1055-M1059 PolarHBondContact O-N 3.5Å; E1056-M1059 HydrophobicContact CB-CE 4.45Å; E1056-M1059 HydrophobicContact CG-CE 4.06Å; E1056-M1059 PolarHBondContact O-N 2.9Å; M1059-R1062 PolarHBondContact O-N 2.99Å; M1059-N1063 PolarHBondContact O-N 3.22Å; M1059-N1063 PolarHBondContact O-ND2 3.4Å; M1059-L1098 HydrophobicContact CG-CD1 3.94Å
1060	K	90.9	Very high	89.7	Confident	31 Å²	31	40 Å²	40	14%	0.135	20%	0.198	C	C	.	.	H	α-helix	trans	-61.3	-43.9	173.5	-72.4	174.6	179.9	-177.1	0	111.5	E1004 I1007 E1056 R1057 N1063 L1064	E1004-K1060 HydrophobicContact CG-CD 3.78Å; E1004-K1060 PolarHBondContact O-NZ 2.98Å; I1007-K1060 HydrophobicContact CB-CB 4.36Å; I1007-K1060 HydrophobicContact CB-CD 4.31Å; I1007-K1060 HydrophobicContact CB-CG 4.24Å; I1007-K1060 HydrophobicContact CD1-CB 4.11Å; I1007-K1060 HydrophobicContact CG2-CB 3.9Å; I1007-K1060 HydrophobicContact CG2-CG 3.95Å; E1056-K1060 WeakPolarHBondContact O-CG 3.29Å; E1056-K1060 PolarHBondContact O-N 3.07Å; R1057-K1060 PolarHBondContact O-N 2.97Å; K1060-N1063 PolarHBondContact O-N 3.21Å; K1060-L1064 PolarHBondContact O-N 3.1Å
1061	A	91.9	Very high	89.8	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.008	21%	0.212	C	C	.	.	H	α-helix	trans	-60.7	-44.6	175.6	0	0	0	0	0	112.1	L941 I971 R1057 I1058 N1063 L1064 I1065 L1099	L941-A1061 HydrophobicContact CD1-CB 4.07Å; I971-A1061 HydrophobicContact CD1-CB 3.69Å; R1057-A1061 WeakPolarHBondContact O-CB 3.44Å; R1057-A1061 PolarHBondContact O-N 3.21Å; I1058-A1061 PolarHBondContact O-N 3.07Å; A1061-N1063 VanDerWaalsContact C-N 3.31Å; A1061-N1063 PolarHBondContact O-N 3.15Å; A1061-L1064 PolarHBondContact O-N 3.46Å; A1061-L1064 VanDerWaalsContact O-N 3.15Å; A1061-I1065 WeakPolarHBondContact O-CD1 3.48Å; A1061-I1065 WeakPolarHBondContact O-CG1 3.34Å; A1061-I1065 PolarHBondContact O-N 3.4Å; A1061-L1099 HydrophobicContact CB-CD2 4.09Å
1062	R	92.8	Very high	89.8	Confident	11 Å²	11	43 Å²	43	4%	0.042	21%	0.212	C	C	.	.	H	α-helix	trans	-54	-46.7	175.3	175.1	179.5	177.5	71.9	0.4	111.8	T1013 I1058 M1059 L1064 I1065 L1066 L1098 R1101 D1102	T1013-R1062 HydrophobicContact CG2-CB 4.45Å; T1013-R1062 HydrophobicContact CG2-CG 4.46Å; I1058-R1062 PolarHBondContact O-N 3.48Å; M1059-R1062 PolarHBondContact O-N 2.99Å; R1062-L1064 VanDerWaalsContact C-N 3.29Å; R1062-L1064 PolarHBondContact O-N 2.96Å; R1062-I1065 PolarHBondContact O-N 3.47Å; R1062-L1066 HydrophobicContact CG-CD1 3.85Å; R1062-L1066 HydrophobicContact CG-CG 4.33Å; R1062-L1066 WeakPolarHBondContact O-CG 3.48Å; R1062-L1066 PolarHBondContact O-N 3.13Å; R1062-L1098 WeakPolarHBondContact CD-O 3.42Å; R1062-L1098 WeakPolarHBondContact CG-O 3.48Å; R1062-L1098 PolarHBondContact NH1-O 3.17Å; R1062-R1101 PolarHBondContact NH1-O 2.98Å; R1062-D1102 IonicContact NH2-OD2 2.63Å; R1062-D1102 PolarHBondContact NH2-OD2 3.32Å
1063	N	90.7	Very high	89.9	Confident	15 Å²	15	38.1 Å²	38.1	8%	0.08	20%	0.199	C	C	.	.	H	α-helix	trans	-59.4	-42.9	-179.6	-63.7	-20.6	0	0	0	111.5	N1010 T1013 M1059 K1060 A1061 T1067	N1010-N1063 VanDerWaalsContact CB-CG 3.44Å; N1010-N1063 WeakPolarHBondContact CB-ND2 3.4Å; N1010-N1063 VanDerWaalsContact CB-OD1 3.26Å; N1010-N1063 WeakPolarHBondContact CB-OD1 3.38Å; N1010-N1063 PolarHBondContact N-ND2 3.19Å; T1013-N1063 WeakPolarHBondContact CB-OD1 3.41Å; T1013-N1063 PolarHBondContact OG1-OD1 3.38Å; M1059-N1063 PolarHBondContact O-N 3.22Å; M1059-N1063 PolarHBondContact O-ND2 3.4Å; K1060-N1063 PolarHBondContact O-N 3.21Å; A1061-N1063 VanDerWaalsContact C-N 3.31Å; A1061-N1063 PolarHBondContact O-N 3.15Å; N1063-T1067 WeakPolarHBondContact O-CB 3.39Å; N1063-T1067 PolarHBondContact O-N 2.8Å; N1063-T1067 VanDerWaalsContact O-N 3.17Å; N1063-T1067 PolarHBondContact O-OG1 3.31Å
1064	L	91.7	Very high	90.2	Very high	18 Å²	18	36 Å²	36	9%	0.094	18%	0.183	C	C	.	.	H	α-helix	trans	-67.8	-42.6	177.5	-69	178.2	0	0	0	112.4	W939 I971 F1002 I1007 K1060 A1061 R1062 T1067 H1068	W939-L1064 HydrophobicContact CH2-CB 3.49Å; W939-L1064 VanDerWaalsContact CH2-CB 3.49Å; W939-L1064 HydrophobicContact CZ3-CB 3.66Å; W939-L1064 HydrophobicContact CZ3-CD1 4.22Å; I971-L1064 HydrophobicContact CD1-CD1 3.82Å; I971-L1064 HydrophobicContact CG1-CD1 4.04Å; F1002-L1064 HydrophobicContact CB-CD1 3.75Å; F1002-L1064 HydrophobicContact CD1-CD1 4.32Å; F1002-L1064 HydrophobicContact CD1-CD2 4.01Å; F1002-L1064 HydrophobicContact CD2-CD1 3.7Å; F1002-L1064 HydrophobicContact CD2-CD2 4.45Å; F1002-L1064 HydrophobicContact CE1-CD2 4.1Å; F1002-L1064 HydrophobicContact CE2-CD1 4.34Å; F1002-L1064 HydrophobicContact CG-CD1 3.68Å; F1002-L1064 HydrophobicContact CG-CD2 4.19Å; F1002-L1064 HydrophobicContact CZ-CD2 4.35Å; I1007-L1064 HydrophobicContact CD1-CD1 3.48Å; I1007-L1064 VanDerWaalsContact CD1-CD1 3.48Å; I1007-L1064 HydrophobicContact CD1-CG 4.22Å; I1007-L1064 HydrophobicContact CG1-CD1 4.15Å; K1060-L1064 PolarHBondContact O-N 3.1Å; A1061-L1064 PolarHBondContact O-N 3.46Å; A1061-L1064 VanDerWaalsContact O-N 3.15Å; R1062-L1064 VanDerWaalsContact C-N 3.29Å; R1062-L1064 PolarHBondContact O-N 2.96Å; L1064-T1067 PolarHBondContact O-N 2.85Å; L1064-H1068 PolarHBondContact O-N 3.4Å; L1064-H1068 PolarHBondContact O-ND1 3.39Å
1065	I	92.3	Very high	90.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.2	-47	178.7	-62.9	160.4	0	0	0	110.7	W939 A1061 R1062 T1067 H1068 S1069 I1075 V1077 L1099 L1103	W939-I1065 HydrophobicContact CD2-CD1 4.36Å; W939-I1065 HydrophobicContact CD2-CG1 3.5Å; W939-I1065 VanDerWaalsContact CD2-CG1 3.5Å; W939-I1065 VanDerWaalsContact CE2-CG1 3.44Å; W939-I1065 HydrophobicContact CE3-CG1 3.95Å; W939-I1065 HydrophobicContact CG-CD1 4.39Å; W939-I1065 HydrophobicContact CG-CG1 3.88Å; W939-I1065 HydrophobicContact CH2-CG1 4.35Å; W939-I1065 HydrophobicContact CZ2-CB 4.25Å; W939-I1065 HydrophobicContact CZ2-CG1 3.9Å; W939-I1065 HydrophobicContact CZ3-CG1 4.34Å; A1061-I1065 WeakPolarHBondContact O-CD1 3.48Å; A1061-I1065 WeakPolarHBondContact O-CG1 3.34Å; A1061-I1065 PolarHBondContact O-N 3.4Å; R1062-I1065 PolarHBondContact O-N 3.47Å; I1065-T1067 VanDerWaalsContact C-N 3.26Å; I1065-T1067 PolarHBondContact O-N 3.32Å; I1065-H1068 PolarHBondContact O-N 3.31Å; I1065-S1069 WeakPolarHBondContact O-CA 3.43Å; I1065-S1069 VanDerWaalsContact O-CB 3.29Å; I1065-S1069 WeakPolarHBondContact O-CB 3.49Å; I1065-S1069 PolarHBondContact O-N 3.22Å; I1065-I1075 HydrophobicContact CG2-CG2 4.41Å; I1065-V1077 HydrophobicContact CD1-CG1 4.29Å; I1065-V1077 HydrophobicContact CD1-CG2 4.26Å; I1065-L1099 HydrophobicContact CD1-CD2 3.95Å; I1065-L1103 HydrophobicContact CG2-CD1 3.4Å; I1065-L1103 VanDerWaalsContact CG2-CD1 3.4Å; I1065-L1103 HydrophobicContact CG2-CD2 3.88Å; I1065-L1103 HydrophobicContact CG2-CG 4.32Å
1066	L	90.4	Very high	90.8	Very high	46 Å²	46	34.9 Å²	34.9	24%	0.241	18%	0.177	C	C	.	.	H	α-helix	trans	-60.4	-38.2	177.4	-74	170.8	0	0	0	112	R1062 D1102 L1103	R1062-L1066 HydrophobicContact CG-CD1 3.85Å; R1062-L1066 HydrophobicContact CG-CG 4.33Å; R1062-L1066 WeakPolarHBondContact O-CG 3.48Å; R1062-L1066 PolarHBondContact O-N 3.13Å; L1066-D1102 HydrophobicContact CD2-CB 4.44Å; L1066-L1103 HydrophobicContact CD2-CD2 3.83Å; L1066-L1103 HydrophobicContact CD2-CG 4.32Å
1067	T	89.9	Confident	91.1	Very high	108 Å²	108	32.4 Å²	32.4	66%	0.663	17%	0.165	S	C	*	.	H	α-helix	trans	-71.6	-40.9	-178.6	-55.7	0	0	0	0	112.2	N1063 L1064 I1065	N1063-T1067 WeakPolarHBondContact O-CB 3.39Å; N1063-T1067 PolarHBondContact O-N 2.8Å; N1063-T1067 VanDerWaalsContact O-N 3.17Å; N1063-T1067 PolarHBondContact O-OG1 3.31Å; L1064-T1067 PolarHBondContact O-N 2.85Å; I1065-T1067 VanDerWaalsContact C-N 3.26Å; I1065-T1067 PolarHBondContact O-N 3.32Å
1068	H	92	Very high	91.3	Very high	59 Å²	59	31.6 Å²	31.6	27%	0.273	16%	0.162	S	C	.	.	H	α-helix	trans	-103.2	-25.6	-169.3	-64.3	87.6	0	0	0	114.9	W939 R967 F969 F1002 L1064 I1065	W939-H1068 HydrophobicContact CZ2-CB 4.1Å; R967-H1068 PolarHBondContact NH2-O 3.07Å; F969-H1068 HydrophobicContact CE1-CB 4.26Å; F969-H1068 HydrophobicContact CZ-CB 4.3Å; F1002-H1068 AromaticContact CE1-CE1 3.86Å; F1002-H1068 AromaticContact CE1-NE2 4Å; F1002-H1068 AromaticContact CZ-CE1 3.48Å; F1002-H1068 VanDerWaalsContact CZ-CE1 3.48Å; F1002-H1068 WeakPolarHBondContact CZ-CE1 3.46Å; F1002-H1068 AromaticContact CZ-NE2 3.57Å; L1064-H1068 PolarHBondContact O-N 3.4Å; L1064-H1068 PolarHBondContact O-ND1 3.39Å; I1065-H1068 PolarHBondContact O-N 3.31Å
1069	S	91.5	Very high	91.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-115	1.7	-166.4	-61.6	0	0	0	0	115	D937 W939 I1065 N1071 A1072 I1075	D937-S1069 VanDerWaalsContact OD2-CA 3.25Å; D937-S1069 WeakPolarHBondContact OD2-CA 3.25Å; D937-S1069 WeakPolarHBondContact OD2-CB 3.49Å; D937-S1069 PolarHBondContact OD2-OG 3.17Å; W939-S1069 PolarHBondContact NE1-OG 3.41Å; I1065-S1069 WeakPolarHBondContact O-CA 3.43Å; I1065-S1069 VanDerWaalsContact O-CB 3.29Å; I1065-S1069 WeakPolarHBondContact O-CB 3.49Å; I1065-S1069 PolarHBondContact O-N 3.22Å; S1069-N1071 PolarHBondContact O-N 2.9Å; S1069-A1072 WeakPolarHBondContact O-CB 3.49Å; S1069-A1072 PolarHBondContact O-N 3.32Å; S1069-I1075 WeakPolarHBondContact O-CD1 3.28Å
1070	K	86.9	Confident	91.4	Very high	142 Å²	142	30.6 Å²	30.6	62%	0.617	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-29.5	179.8	-169	172.9	-176.8	175.9	0	114.5	P1104	K1070-P1104 WeakPolarHBondContact O-CG 3.38Å
1071	N	86.7	Confident	91.3	Very high	143 Å²	143	29.7 Å²	29.7	77%	0.765	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.9	5.5	-178.9	-63	-19.5	0	0	0	113.8	S1069	S1069-N1071 PolarHBondContact O-N 2.9Å
1072	A	88.4	Confident	91.1	Very high	5 Å²	5	29.6 Å²	29.6	4%	0.041	15%	0.154	C	C	.	.			trans	-73.4	150.9	178.9	0	0	0	0	0	111.5	I935 D937 S1069 I1075 P1104	I935-A1072 HydrophobicContact CG2-CB 4.4Å; D937-A1072 HydrophobicContact CB-CB 4.22Å; S1069-A1072 WeakPolarHBondContact O-CB 3.49Å; S1069-A1072 PolarHBondContact O-N 3.32Å; A1072-I1075 HydrophobicContact CB-CG1 3.92Å; A1072-P1104 VanDerWaalsContact O-CB 3.29Å; A1072-P1104 WeakPolarHBondContact O-CB 3.45Å; A1072-P1104 WeakPolarHBondContact O-CG 3.09Å
1073	N	89.4	Confident	90.5	Very high	61 Å²	61	32.5 Å²	32.5	33%	0.326	16%	0.164	S	C	.	.	S	Bend	trans	-81.5	-30.9	176.3	-63.7	98.1	0	0	0	112.2	A934 I935 L961	A934-N1073 VanDerWaalsContact CA-OD1 3.24Å; A934-N1073 WeakPolarHBondContact CA-OD1 3.48Å; A934-N1073 HydrophobicContact CB-CB 4.31Å; I935-N1073 PolarHBondContact N-OD1 2.93Å; I935-N1073 PolarHBondContact O-N 3.28Å; L961-N1073 HydrophobicContact CD2-CB 4.29Å
1074	L	91.5	Very high	89.7	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	131.7	175.5	173.5	64.2	0	0	0	108.8	F654 I935 I936 D937 L955 L961 I1076 L1105 F1107	F654-L1074 HydrophobicContact CE2-CD1 3.94Å; F654-L1074 HydrophobicContact CE2-CD2 4.1Å; F654-L1074 HydrophobicContact CZ-CD1 4.03Å; F654-L1074 HydrophobicContact CZ-CD2 4.29Å; I935-L1074 PolarHBondContact O-N 2.9Å; I936-L1074 WeakPolarHBondContact CA-O 3.37Å; I936-L1074 HydrophobicContact CG1-CB 4.46Å; I936-L1074 HydrophobicContact CG2-CD2 4.3Å; I936-L1074 HydrophobicContact CG2-CG 4.44Å; D937-L1074 PolarHBondContact N-O 3.48Å; L955-L1074 HydrophobicContact CD1-CD2 3.64Å; L961-L1074 HydrophobicContact CD1-CB 4.11Å; L961-L1074 HydrophobicContact CD1-CD2 3.87Å; L1074-I1076 HydrophobicContact CD2-CD1 4.28Å; L1074-I1076 HydrophobicContact CD2-CG1 4.27Å; L1074-I1076 HydrophobicContact CG-CG1 4.16Å; L1074-L1105 HydrophobicContact CD1-CD2 3.87Å; L1074-L1105 HydrophobicContact CD1-CG 3.87Å; L1074-F1107 HydrophobicContact CD1-CB 4.18Å
1075	I	94	Very high	88.9	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	124.3	173.7	-52.2	172	0	0	0	107.5	D937 I1065 S1069 A1072 V1077 L1103 P1104 L1105 T1106 F1107	D937-I1075 CarbonylContact O-C 3.57Å; D937-I1075 WeakPolarHBondContact O-CA 3.43Å; I1065-I1075 HydrophobicContact CG2-CG2 4.41Å; S1069-I1075 WeakPolarHBondContact O-CD1 3.28Å; A1072-I1075 HydrophobicContact CB-CG1 3.92Å; I1075-V1077 HydrophobicContact CG2-CG2 3.74Å; I1075-L1103 HydrophobicContact CD1-CB 4.07Å; I1075-L1103 HydrophobicContact CD1-CD1 4.34Å; I1075-L1103 HydrophobicContact CD1-CD2 4.03Å; I1075-L1103 HydrophobicContact CD1-CG 4.38Å; I1075-P1104 HydrophobicContact CD1-CG 4.45Å; I1075-L1105 PolarHBondContact N-O 3.34Å; I1075-T1106 CarbonylContact O-C 3.47Å; I1075-T1106 WeakPolarHBondContact O-CA 3.39Å; I1075-F1107 PolarHBondContact O-N 2.61Å
1076	I	95.1	Very high	88.3	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.8	172.4	-57.6	-176.3	0	0	0	107.6	D937 V938 W939 I951 P952 L1074 F1107 L1109	D937-I1076 PolarHBondContact O-N 3.3Å; V938-I1076 CarbonylContact C-O 3.57Å; V938-I1076 WeakPolarHBondContact CA-O 3.24Å; W939-I1076 PolarHBondContact N-O 2.87Å; I951-I1076 HydrophobicContact CG2-CD1 4.34Å; P952-I1076 HydrophobicContact CB-CD1 3.69Å; P952-I1076 HydrophobicContact CG-CD1 3.8Å; L1074-I1076 HydrophobicContact CD2-CD1 4.28Å; L1074-I1076 HydrophobicContact CD2-CG1 4.27Å; L1074-I1076 HydrophobicContact CG-CG1 4.16Å; I1076-F1107 VanDerWaalsContact CA-O 3.28Å; I1076-F1107 WeakPolarHBondContact CA-O 3.18Å; I1076-F1107 HydrophobicContact CG1-CB 4.4Å; I1076-F1107 HydrophobicContact CG1-CD1 4.46Å; I1076-L1109 HydrophobicContact CG2-CB 4.17Å; I1076-L1109 HydrophobicContact CG2-CD2 4.25Å
1077	V	95.1	Very high	88	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	129.7	-179.1	-172.8	0	0	0	0	109.2	W939 L941 I1065 I1075 I1079 L1099 T1106 F1107 L1108 L1109	W939-V1077 HydrophobicContact CB-CB 4.35Å; W939-V1077 HydrophobicContact CB-CG1 4.1Å; W939-V1077 HydrophobicContact CB-CG2 4.19Å; W939-V1077 HydrophobicContact CG-CG2 4.44Å; L941-V1077 HydrophobicContact CD1-CG1 4Å; I1065-V1077 HydrophobicContact CD1-CG1 4.29Å; I1065-V1077 HydrophobicContact CD1-CG2 4.26Å; I1075-V1077 HydrophobicContact CG2-CG2 3.74Å; V1077-I1079 PolarHBondContact O-N 3.42Å; V1077-L1099 HydrophobicContact CG1-CD1 4.25Å; V1077-L1099 HydrophobicContact CG1-CD2 4.37Å; V1077-T1106 HydrophobicContact CG2-CG2 4.26Å; V1077-F1107 PolarHBondContact N-O 3Å; V1077-L1108 HydrophobicContact CB-CD2 3.98Å; V1077-L1108 CarbonylContact O-C 3.42Å; V1077-L1108 WeakPolarHBondContact O-CA 3.01Å; V1077-L1109 PolarHBondContact O-N 3.21Å
1078	T	94.1	Very high	88	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	121.7	173.3	37.1	0	0	0	0	111.2	W939 L941 Y942 D944 S948 L1109	W939-T1078 PolarHBondContact O-N 3.22Å; W939-T1078 PolarHBondContact O-OG1 2.82Å; L941-T1078 WeakPolarHBondContact CA-OG1 3.36Å; L941-T1078 WeakPolarHBondContact CB-OG1 3.16Å; L941-T1078 PolarHBondContact N-OG1 3.06Å; Y942-T1078 PolarHBondContact N-OG1 3.27Å; D944-T1078 HydrophobicContact CB-CG2 4.37Å; S948-T1078 WeakPolarHBondContact OG-CG2 3.33Å; T1078-L1109 VanDerWaalsContact CA-O 3.24Å; T1078-L1109 WeakPolarHBondContact CA-O 3.44Å
1079	I	93	Very high	87.9	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-90.2	147.2	179.1	57.7	177.8	0	0	0	112.1	I767 V1077 L1096 L1108 L1109 R1110	I767-I1079 HydrophobicContact CD1-CD1 4.33Å; V1077-I1079 PolarHBondContact O-N 3.42Å; I1079-L1096 HydrophobicContact CB-CD2 4.12Å; I1079-L1096 HydrophobicContact CG2-CD2 3.64Å; I1079-L1108 HydrophobicContact CG2-CB 3.58Å; I1079-L1108 HydrophobicContact CG2-CD1 4.41Å; I1079-L1108 HydrophobicContact CG2-CD2 3.94Å; I1079-L1108 HydrophobicContact CG2-CG 4.17Å; I1079-L1109 PolarHBondContact N-O 2.81Å; I1079-R1110 HydrophobicContact CD1-CB 4.32Å; I1079-R1110 HydrophobicContact CG1-CB 3.66Å; I1079-R1110 HydrophobicContact CG1-CG 4.5Å; I1079-R1110 WeakPolarHBondContact O-CD 3.1Å; I1079-R1110 PolarHBondContact O-NE 3.34Å
1080	P	91.1	Very high	87.9	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.013	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-67	148.7	172.2	28.9	-34.4	0	0	0	111	Y942 I1058 Y1092 W1095	Y942-P1080 HydrophobicContact CE2-CB 4.09Å; I1058-P1080 HydrophobicContact CD1-CG 4.13Å; P1080-Y1092 HydrophobicContact CG-CE2 4.21Å; P1080-Y1092 WeakPolarHBondContact O-CE2 3.45Å; P1080-Y1092 PolarHBondContact O-OH 2.62Å; P1080-W1095 HydrophobicContact CG-CE3 3.94Å; P1080-W1095 HydrophobicContact CG-CZ3 4.36Å
1081	V	88.1	Confident	88.1	Confident	11 Å²	11	31.4 Å²	31.4	7%	0.067	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-79.2	124	175	-177.6	0	0	0	0	109.2	E88 L113 L116 H117 F759 R1083 R1110	E88-V1081 PolarHBondContact OE1-N 3.47Å; L113-V1081 HydrophobicContact CD1-CG1 4.3Å; L113-V1081 HydrophobicContact CD1-CG2 4.06Å; L116-V1081 HydrophobicContact CB-CB 4.46Å; L116-V1081 HydrophobicContact CB-CG1 4.33Å; L116-V1081 HydrophobicContact CD1-CG2 4.42Å; H117-V1081 HydrophobicContact CB-CG1 4.45Å; F759-V1081 HydrophobicContact CD2-CG1 4.42Å; F759-V1081 HydrophobicContact CE1-CG2 4.44Å; F759-V1081 HydrophobicContact CG-CG1 4.38Å; V1081-R1083 PolarHBondContact O-N 3.4Å; V1081-R1110 HydrophobicContact CG2-CG 4.06Å
1082	P	87.8	Confident	88.4	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.121	C	C	.	.	P	Polyproline II helix	trans	-70.9	130.6	177.5	28.7	-30.1	0	0	0	109.7	H117 F752 I755 F759 L1087 Y1092	H117-P1082 PolarHBondContact CE1-O 3.31Å; H117-P1082 PolarHBondContact ND1-O 3.49Å; F752-P1082 HydrophobicContact CE2-CB 3.92Å; F752-P1082 HydrophobicContact CE2-CG 4.47Å; F752-P1082 HydrophobicContact CZ-CB 4.15Å; I755-P1082 HydrophobicContact CG2-CG 4.19Å; F759-P1082 HydrophobicContact CD2-CG 4.09Å; F759-P1082 HydrophobicContact CE2-CG 4.04Å; P1082-L1087 HydrophobicContact CB-CD2 4.03Å; P1082-Y1092 HydrophobicContact CB-CD2 3.9Å; P1082-Y1092 HydrophobicContact CB-CE1 4.5Å; P1082-Y1092 HydrophobicContact CB-CE2 3.77Å; P1082-Y1092 HydrophobicContact CB-CG 4.3Å; P1082-Y1092 HydrophobicContact CG-CE1 4.32Å; P1082-Y1092 HydrophobicContact CG-CE2 4.1Å
1083	R	80.6	Confident	88.6	Confident	71 Å²	71	24.4 Å²	24.4	27%	0.268	12%	0.119	S	C	.	.	P	Polyproline II helix	trans	-80	128.5	175.2	-72.9	-167.8	-178.6	-154.1	5.1	110.2	V84 V1081 A1086	V84-R1083 PolarHBondContact O-NH2 2.71Å; V84-R1083 VanDerWaalsContact O-NH2 3.15Å; V1081-R1083 PolarHBondContact O-N 3.4Å; R1083-A1086 HydrophobicContact CB-CB 4.16Å
1084	K	74.8	Confident	88.8	Confident	85 Å²	85	21.5 Å²	21.5	37%	0.37	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	137.8	-179.6	-157.8	169.1	-173	159.9	0	110.4	H117 V119 D760 A1086	H117-K1084 WeakPolarHBondContact O-CB 3.41Å; H117-K1084 PolarHBondContact O-N 3.01Å; V119-K1084 HydrophobicContact CG2-CD 3.93Å; D760-K1084 IonicContact OD1-NZ 2.69Å; D760-K1084 PolarHBondContact OD1-NZ 2.97Å; D760-K1084 IonicContact OD2-NZ 3.59Å; D760-K1084 PolarHBondContact OD2-NZ 2.9Å; K1084-A1086 PolarHBondContact O-N 3.36Å
1085	K	74.4	Confident	88.9	Confident	211 Å²	211	21.7 Å²	21.7	92%	0.917	10%	0.104	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.9	-8.9	-179.9	-56.5	-179.1	179.7	178.2	0	117.4
1086	A	78.9	Confident	88.9	Confident	52 Å²	52	21.7 Å²	21.7	43%	0.43	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-24.5	179.9	0	0	0	0	0	113.4	F1051 R1083 K1084	F1051-A1086 HydrophobicContact CE2-CB 4.44Å; F1051-A1086 WeakPolarHBondContact CE2-O 3.42Å; F1051-A1086 HydrophobicContact CZ-CB 4.08Å; R1083-A1086 HydrophobicContact CB-CB 4.16Å; K1084-A1086 PolarHBondContact O-N 3.36Å
1087	L	85.3	Confident	88.8	Confident	12 Å²	12	22.1 Å²	22.1	6%	0.063	11%	0.106	C	C	.	.	S	Bend	trans	-117.8	129.3	-173.4	-169.2	71.8	0	0	0	111	F752 F1051 P1082 L1091 Y1092 W1095	F752-L1087 WeakPolarHBondContact CE1-O 3.38Å; F1051-L1087 HydrophobicContact CD1-CD1 4.42Å; F1051-L1087 HydrophobicContact CD2-CD1 3.81Å; F1051-L1087 HydrophobicContact CE1-CD1 4.4Å; F1051-L1087 HydrophobicContact CE2-CB 4.4Å; F1051-L1087 HydrophobicContact CE2-CD1 3.82Å; F1051-L1087 HydrophobicContact CG-CD1 4.13Å; F1051-L1087 HydrophobicContact CZ-CB 4.3Å; F1051-L1087 HydrophobicContact CZ-CD1 4.12Å; P1082-L1087 HydrophobicContact CB-CD2 4.03Å; L1087-L1091 HydrophobicContact CD1-CB 4.3Å; L1087-L1091 HydrophobicContact CD1-CD2 3.71Å; L1087-L1091 HydrophobicContact CD1-CG 4.03Å; L1087-Y1092 HydrophobicContact CD2-CD2 3.52Å; L1087-Y1092 HydrophobicContact CD2-CE2 4.49Å; L1087-Y1092 HydrophobicContact CD2-CG 4.01Å; L1087-W1095 HydrophobicContact CD1-CH2 3.75Å; L1087-W1095 HydrophobicContact CD1-CZ2 4.27Å; L1087-W1095 HydrophobicContact CD1-CZ3 4.16Å; L1087-W1095 HydrophobicContact CD2-CE3 4.42Å; L1087-W1095 HydrophobicContact CD2-CH2 4.21Å; L1087-W1095 HydrophobicContact CD2-CZ3 3.78Å
1088	S	89.1	Confident	88.7	Confident	6 Å²	6	22.1 Å²	22.1	4%	0.042	11%	0.106	C	C	.	.			trans	-75.2	151.8	174.8	62.7	0	0	0	0	111.8	L1042 V1043 E1047 S1090 L1091 Y1092	L1042-S1088 WeakPolarHBondContact O-CB 3.46Å; V1043-S1088 WeakPolarHBondContact CG2-OG 3.13Å; E1047-S1088 VanDerWaalsContact CD-OG 3.25Å; E1047-S1088 VanDerWaalsContact OE1-CB 3.31Å; E1047-S1088 WeakPolarHBondContact OE1-CB 3.32Å; E1047-S1088 PolarHBondContact OE1-N 3.09Å; E1047-S1088 PolarHBondContact OE1-OG 3.01Å; E1047-S1088 VanDerWaalsContact OE2-CB 3.27Å; E1047-S1088 WeakPolarHBondContact OE2-CB 3.48Å; E1047-S1088 PolarHBondContact OE2-OG 3.22Å; E1047-S1088 VanDerWaalsContact OE2-OG 3.07Å; S1088-S1090 VanDerWaalsContact C-N 3.34Å; S1088-S1090 PolarHBondContact O-N 2.7Å; S1088-L1091 PolarHBondContact O-N 2.97Å; S1088-L1091 VanDerWaalsContact OG-CB 3.32Å; S1088-L1091 WeakPolarHBondContact OG-CB 3.44Å; S1088-Y1092 PolarHBondContact O-N 3.04Å
1089	A	90.3	Very high	88.6	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-63.1	-39.5	-177.8	0	0	0	0	0	112.5	V748 F752 S1040 V1041 L1093	V748-A1089 HydrophobicContact CG1-CB 4.08Å; F752-A1089 HydrophobicContact CB-CB 3.66Å; F752-A1089 HydrophobicContact CD1-CB 3.61Å; F752-A1089 HydrophobicContact CD2-CB 4.39Å; F752-A1089 HydrophobicContact CE1-CB 4.29Å; F752-A1089 HydrophobicContact CG-CB 3.65Å; S1040-A1089 PolarHBondContact O-N 3.31Å; V1041-A1089 HydrophobicContact CG2-CB 4.28Å; A1089-L1093 WeakPolarHBondContact O-CB 3.4Å; A1089-L1093 VanDerWaalsContact O-CG 3.28Å; A1089-L1093 WeakPolarHBondContact O-CG 3.36Å; A1089-L1093 PolarHBondContact O-N 3.38Å
1090	S	91.1	Very high	88.6	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-72.8	-35.8	-177.1	65.5	0	0	0	0	112.7	F1024 V1041 V1043 S1088 L1093 A1094	F1024-S1090 WeakPolarHBondContact CB-OG 3.46Å; V1041-S1090 WeakPolarHBondContact O-CB 3.49Å; V1041-S1090 PolarHBondContact O-N 3Å; V1041-S1090 PolarHBondContact O-OG 2.98Å; V1043-S1090 WeakPolarHBondContact CG2-OG 3.23Å; S1088-S1090 VanDerWaalsContact C-N 3.34Å; S1088-S1090 PolarHBondContact O-N 2.7Å; S1090-L1093 PolarHBondContact O-N 3.36Å; S1090-A1094 VanDerWaalsContact O-CB 3.28Å; S1090-A1094 WeakPolarHBondContact O-CB 3.44Å; S1090-A1094 PolarHBondContact O-N 3.19Å
1091	L	92.2	Very high	88.4	Confident	0 Å²	0	25 Å²	25	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-64	-44.9	174.5	-176.4	56	0	0	0	111.1	F1017 I1021 V1043 E1047 L1048 F1051 L1087 S1088 A1094 W1095	F1017-L1091 HydrophobicContact CE2-CD1 4.06Å; F1017-L1091 HydrophobicContact CZ-CD1 3.94Å; I1021-L1091 HydrophobicContact CD1-CD1 3.95Å; V1043-L1091 HydrophobicContact CG1-CB 4.23Å; V1043-L1091 HydrophobicContact CG1-CD2 4.21Å; V1043-L1091 HydrophobicContact CG2-CB 4.09Å; E1047-L1091 HydrophobicContact CG-CD2 3.97Å; E1047-L1091 WeakPolarHBondContact OE1-CD2 3.39Å; L1048-L1091 HydrophobicContact CD2-CD1 3.9Å; L1048-L1091 HydrophobicContact CD2-CD2 4.33Å; F1051-L1091 HydrophobicContact CB-CD2 4.43Å; F1051-L1091 HydrophobicContact CD2-CD2 4.48Å; L1087-L1091 HydrophobicContact CD1-CB 4.3Å; L1087-L1091 HydrophobicContact CD1-CD2 3.71Å; L1087-L1091 HydrophobicContact CD1-CG 4.03Å; S1088-L1091 PolarHBondContact O-N 2.97Å; S1088-L1091 VanDerWaalsContact OG-CB 3.32Å; S1088-L1091 WeakPolarHBondContact OG-CB 3.44Å; L1091-A1094 PolarHBondContact O-N 3.07Å; L1091-W1095 HydrophobicContact CD2-CZ2 4.23Å; L1091-W1095 HydrophobicContact CG-CZ2 4.11Å; L1091-W1095 PolarHBondContact O-N 3.3Å; L1091-W1095 VanDerWaalsContact O-N 3.07Å
1092	Y	92.8	Very high	88.3	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.7	-43	176.5	-169.7	-108.2	0	0	0	112.5	F752 I755 P1080 P1082 L1087 S1088 A1094 W1095 L1096	F752-Y1092 AromaticContact CD2-CD1 3.83Å; F752-Y1092 HydrophobicContact CD2-CD1 3.83Å; F752-Y1092 HydrophobicContact CD2-CG 4.29Å; F752-Y1092 AromaticContact CE2-CD1 3.61Å; F752-Y1092 HydrophobicContact CE2-CD1 3.61Å; F752-Y1092 HydrophobicContact CE2-CE1 4.44Å; F752-Y1092 AromaticContact CE2-CG 3.66Å; F752-Y1092 HydrophobicContact CE2-CG 3.66Å; I755-Y1092 HydrophobicContact CD1-CE1 4.11Å; I755-Y1092 HydrophobicContact CG2-CE1 4.11Å; P1080-Y1092 HydrophobicContact CG-CE2 4.21Å; P1080-Y1092 WeakPolarHBondContact O-CE2 3.45Å; P1080-Y1092 PolarHBondContact O-OH 2.62Å; P1082-Y1092 HydrophobicContact CB-CD2 3.9Å; P1082-Y1092 HydrophobicContact CB-CE1 4.5Å; P1082-Y1092 HydrophobicContact CB-CE2 3.77Å; P1082-Y1092 HydrophobicContact CB-CG 4.3Å; P1082-Y1092 HydrophobicContact CG-CE1 4.32Å; P1082-Y1092 HydrophobicContact CG-CE2 4.1Å; L1087-Y1092 HydrophobicContact CD2-CD2 3.52Å; L1087-Y1092 HydrophobicContact CD2-CE2 4.49Å; L1087-Y1092 HydrophobicContact CD2-CG 4.01Å; S1088-Y1092 PolarHBondContact O-N 3.04Å; Y1092-A1094 VanDerWaalsContact C-N 3.33Å; Y1092-A1094 PolarHBondContact O-N 2.97Å; Y1092-W1095 AromaticContact CD2-CE3 3.88Å; Y1092-W1095 HydrophobicContact CD2-CE3 3.88Å; Y1092-W1095 HydrophobicContact CD2-CZ3 4.27Å; Y1092-W1095 HydrophobicContact CE2-CE3 4.44Å; Y1092-W1095 WeakPolarHBondContact O-CB 3.33Å; Y1092-W1095 PolarHBondContact O-N 3.4Å; Y1092-L1096 HydrophobicContact CD1-CD1 4.12Å; Y1092-L1096 HydrophobicContact CD1-CG 4.29Å; Y1092-L1096 HydrophobicContact CE1-CD1 3.77Å; Y1092-L1096 HydrophobicContact CE1-CD2 4.19Å; Y1092-L1096 HydrophobicContact CE1-CG 4.06Å; Y1092-L1096 WeakPolarHBondContact O-CG 3.46Å; Y1092-L1096 PolarHBondContact O-N 3.36Å
1093	L	93	Very high	88.3	Confident	0 Å²	0	30 Å²	30	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65.8	-35.4	176.5	-73.7	174.8	0	0	0	112.3	W740 V748 Y751 A1089 S1090 W1095 L1096 E1097	W740-L1093 HydrophobicContact CB-CD1 4.07Å; W740-L1093 HydrophobicContact CD2-CB 3.99Å; W740-L1093 HydrophobicContact CD2-CD1 4.16Å; W740-L1093 HydrophobicContact CE3-CB 3.94Å; W740-L1093 HydrophobicContact CE3-CD1 3.99Å; W740-L1093 HydrophobicContact CG-CD1 4.23Å; W740-L1093 HydrophobicContact CH2-CB 4.33Å; W740-L1093 HydrophobicContact CZ2-CB 4.38Å; W740-L1093 HydrophobicContact CZ3-CB 4.11Å; V748-L1093 HydrophobicContact CG1-CD1 3.55Å; Y751-L1093 HydrophobicContact CD1-CD2 3.93Å; Y751-L1093 HydrophobicContact CE1-CD2 3.86Å; A1089-L1093 WeakPolarHBondContact O-CB 3.4Å; A1089-L1093 VanDerWaalsContact O-CG 3.28Å; A1089-L1093 WeakPolarHBondContact O-CG 3.36Å; A1089-L1093 PolarHBondContact O-N 3.38Å; S1090-L1093 PolarHBondContact O-N 3.36Å; L1093-W1095 VanDerWaalsContact C-N 3.31Å; L1093-W1095 PolarHBondContact O-N 2.98Å; L1093-L1096 HydrophobicContact CD2-CD1 4.34Å; L1093-L1096 PolarHBondContact O-N 3.33Å; L1093-E1097 WeakPolarHBondContact O-CB 3.44Å; L1093-E1097 PolarHBondContact O-N 2.65Å
1094	A	93	Very high	88.5	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.5	-39.9	172.6	0	0	0	0	0	111.4	W740 F1017 L1020 I1021 S1090 L1091 Y1092 E1097 L1098	W740-A1094 HydrophobicContact CH2-CB 4.24Å; F1017-A1094 HydrophobicContact CE2-CB 4.37Å; L1020-A1094 HydrophobicContact CB-CB 4.37Å; L1020-A1094 HydrophobicContact CD1-CB 4.48Å; I1021-A1094 HydrophobicContact CD1-CB 3.55Å; I1021-A1094 HydrophobicContact CG1-CB 4.26Å; S1090-A1094 VanDerWaalsContact O-CB 3.28Å; S1090-A1094 WeakPolarHBondContact O-CB 3.44Å; S1090-A1094 PolarHBondContact O-N 3.19Å; L1091-A1094 PolarHBondContact O-N 3.07Å; Y1092-A1094 VanDerWaalsContact C-N 3.33Å; Y1092-A1094 PolarHBondContact O-N 2.97Å; A1094-E1097 PolarHBondContact O-N 2.02Å; A1094-L1098 VanDerWaalsContact O-CG 3.31Å; A1094-L1098 WeakPolarHBondContact O-CG 3.48Å; A1094-L1098 PolarHBondContact O-N 3.13Å
1095	W	94.1	Very high	89.3	Confident	5 Å²	5	24.6 Å²	24.6	2%	0.019	13%	0.125	C	C	.	.	H	α-helix	trans	-61.2	-46.4	172.5	-69.7	-6.6	0	0	0	112.8	F1051 T1054 T1055 I1058 P1080 L1087 L1091 Y1092 L1093 E1097 L1098 L1099	F1051-W1095 HydrophobicContact CB-CH2 3.91Å; F1051-W1095 HydrophobicContact CB-CZ2 3.72Å; F1051-W1095 AromaticContact CD1-CH2 3.84Å; F1051-W1095 HydrophobicContact CD1-CH2 3.84Å; F1051-W1095 HydrophobicContact CG-CH2 4.01Å; F1051-W1095 HydrophobicContact CG-CZ2 4.29Å; T1054-W1095 HydrophobicContact CG2-CE3 4.35Å; T1054-W1095 HydrophobicContact CG2-CH2 3.59Å; T1054-W1095 HydrophobicContact CG2-CZ2 3.94Å; T1054-W1095 HydrophobicContact CG2-CZ3 3.81Å; T1055-W1095 PolarHBondContact OG1-NE1 2.69Å; I1058-W1095 HydrophobicContact CD1-CB 3.75Å; I1058-W1095 HydrophobicContact CD1-CD2 3.44Å; I1058-W1095 VanDerWaalsContact CD1-CD2 3.44Å; I1058-W1095 HydrophobicContact CD1-CE3 3.77Å; I1058-W1095 HydrophobicContact CD1-CG 3.42Å; I1058-W1095 VanDerWaalsContact CD1-CG 3.42Å; I1058-W1095 HydrophobicContact CG2-CB 4.37Å; P1080-W1095 HydrophobicContact CG-CE3 3.94Å; P1080-W1095 HydrophobicContact CG-CZ3 4.36Å; L1087-W1095 HydrophobicContact CD1-CH2 3.75Å; L1087-W1095 HydrophobicContact CD1-CZ2 4.27Å; L1087-W1095 HydrophobicContact CD1-CZ3 4.16Å; L1087-W1095 HydrophobicContact CD2-CE3 4.42Å; L1087-W1095 HydrophobicContact CD2-CH2 4.21Å; L1087-W1095 HydrophobicContact CD2-CZ3 3.78Å; L1091-W1095 HydrophobicContact CD2-CZ2 4.23Å; L1091-W1095 HydrophobicContact CG-CZ2 4.11Å; L1091-W1095 PolarHBondContact O-N 3.3Å; L1091-W1095 VanDerWaalsContact O-N 3.07Å; Y1092-W1095 AromaticContact CD2-CE3 3.88Å; Y1092-W1095 HydrophobicContact CD2-CE3 3.88Å; Y1092-W1095 HydrophobicContact CD2-CZ3 4.27Å; Y1092-W1095 HydrophobicContact CE2-CE3 4.44Å; Y1092-W1095 WeakPolarHBondContact O-CB 3.33Å; Y1092-W1095 PolarHBondContact O-N 3.4Å; L1093-W1095 VanDerWaalsContact C-N 3.31Å; L1093-W1095 PolarHBondContact O-N 2.98Å; W1095-E1097 VanDerWaalsContact C-N 3.32Å; W1095-E1097 PolarHBondContact O-N 3.23Å; W1095-L1098 PolarHBondContact O-N 3.17Å; W1095-L1099 WeakPolarHBondContact O-CG 3.35Å; W1095-L1099 PolarHBondContact O-N 3.43Å; W1095-L1099 VanDerWaalsContact O-N 3.08Å
1096	L	94.1	Very high	90.1	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-65.2	-37.1	177.4	-58.4	-173	0	0	0	111.9	F736 I755 I767 I1079 Y1092 L1093 L1099 S1100 L1108	F736-L1096 HydrophobicContact CE2-CB 3.85Å; I755-L1096 HydrophobicContact CD1-CD1 4.45Å; I767-L1096 HydrophobicContact CD1-CD1 3.61Å; I1079-L1096 HydrophobicContact CB-CD2 4.12Å; I1079-L1096 HydrophobicContact CG2-CD2 3.64Å; Y1092-L1096 HydrophobicContact CD1-CD1 4.12Å; Y1092-L1096 HydrophobicContact CD1-CG 4.29Å; Y1092-L1096 HydrophobicContact CE1-CD1 3.77Å; Y1092-L1096 HydrophobicContact CE1-CD2 4.19Å; Y1092-L1096 HydrophobicContact CE1-CG 4.06Å; Y1092-L1096 WeakPolarHBondContact O-CG 3.46Å; Y1092-L1096 PolarHBondContact O-N 3.36Å; L1093-L1096 HydrophobicContact CD2-CD1 4.34Å; L1093-L1096 PolarHBondContact O-N 3.33Å; L1096-L1099 PolarHBondContact O-N 3.34Å; L1096-S1100 WeakPolarHBondContact O-CB 3.4Å; L1096-S1100 PolarHBondContact O-N 3.38Å; L1096-S1100 PolarHBondContact O-OG 3.29Å; L1096-L1108 HydrophobicContact CB-CD1 4.11Å; L1096-L1108 HydrophobicContact CD2-CD1 4.23Å
1097	E	92.7	Very high	90.8	Very high	9 Å²	9	12.1 Å²	12.1	4%	0.042	6%	0.061	C	C	.	.	H	α-helix	trans	-62.6	-47.3	174.4	-169.7	66.9	-149.8	0	0	110.2	F736 W740 R769 L1020 L1093 A1094 W1095 L1099 S1100 R1101	F736-E1097 WeakPolarHBondContact CE1-OE2 3.31Å; F736-E1097 WeakPolarHBondContact CZ-OE2 3.38Å; W740-E1097 HydrophobicContact CZ2-CB 4.14Å; W740-E1097 HydrophobicContact CZ2-CG 4.34Å; W740-E1097 PolarHBondContact NE1-OE2 3.49Å; R769-E1097 IonicContact CZ-OE1 2.93Å; R769-E1097 IonicContact CZ-OE2 3.3Å; R769-E1097 IonicContact NH1-OE1 3.2Å; R769-E1097 PolarHBondContact NH1-OE1 3.09Å; R769-E1097 IonicContact NH1-OE2 3.75Å; R769-E1097 PolarHBondContact NH1-OE2 2.98Å; R769-E1097 IonicContact NH2-OE1 2.7Å; R769-E1097 PolarHBondContact NH2-OE1 3.27Å; R769-E1097 IonicContact NH2-OE2 3.8Å; L1020-E1097 HydrophobicContact CD1-CB 4.09Å; L1020-E1097 HydrophobicContact CD1-CG 3.87Å; L1020-E1097 HydrophobicContact CD2-CG 4.26Å; L1093-E1097 WeakPolarHBondContact O-CB 3.44Å; L1093-E1097 PolarHBondContact O-N 2.65Å; A1094-E1097 PolarHBondContact O-N 2.02Å; W1095-E1097 VanDerWaalsContact C-N 3.32Å; W1095-E1097 PolarHBondContact O-N 3.23Å; E1097-L1099 VanDerWaalsContact C-N 3.31Å; E1097-L1099 PolarHBondContact O-N 3.26Å; E1097-S1100 PolarHBondContact O-N 3.12Å; E1097-S1100 VanDerWaalsContact O-N 3.15Å; E1097-R1101 HydrophobicContact CG-CB 4.26Å; E1097-R1101 WeakPolarHBondContact O-CB 3.41Å; E1097-R1101 PolarHBondContact O-N 3.07Å; E1097-R1101 WeakPolarHBondContact OE1-CB 3.33Å; E1097-R1101 WeakPolarHBondContact OE1-CD 3.11Å; E1097-R1101 WeakPolarHBondContact OE1-CG 3.32Å
1098	L	92.6	Very high	91.3	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-57.8	-40.8	175.8	-74.7	177.1	0	0	0	112.4	T1013 L1016 F1017 I1058 M1059 R1062 A1094 W1095 S1100	T1013-L1098 HydrophobicContact CG2-CD2 4.32Å; L1016-L1098 HydrophobicContact CD2-CD2 3.92Å; L1016-L1098 HydrophobicContact CG-CD2 4.17Å; F1017-L1098 HydrophobicContact CB-CD1 4.21Å; F1017-L1098 HydrophobicContact CB-CD2 4.35Å; F1017-L1098 HydrophobicContact CD2-CD1 3.66Å; F1017-L1098 HydrophobicContact CE2-CD1 4.48Å; F1017-L1098 HydrophobicContact CG-CD1 4.27Å; I1058-L1098 HydrophobicContact CG2-CB 4.09Å; I1058-L1098 HydrophobicContact CG2-CD1 4.17Å; M1059-L1098 HydrophobicContact CG-CD1 3.94Å; R1062-L1098 WeakPolarHBondContact CD-O 3.42Å; R1062-L1098 WeakPolarHBondContact CG-O 3.48Å; R1062-L1098 PolarHBondContact NH1-O 3.17Å; A1094-L1098 VanDerWaalsContact O-CG 3.31Å; A1094-L1098 WeakPolarHBondContact O-CG 3.48Å; A1094-L1098 PolarHBondContact O-N 3.13Å; W1095-L1098 PolarHBondContact O-N 3.17Å; L1098-S1100 VanDerWaalsContact C-N 3.3Å; L1098-S1100 PolarHBondContact O-N 3.12Å
1099	L	92.5	Very high	91.6	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.005	6%	0.056	C	C	.	.	H	α-helix	trans	-74.7	-15.4	-179.6	-68.2	175.5	0	0	0	114.3	I1058 A1061 I1065 V1077 W1095 L1096 E1097 L1103 L1108	I1058-L1099 HydrophobicContact CG2-CD1 4.45Å; I1058-L1099 HydrophobicContact CG2-CD2 3.98Å; I1058-L1099 HydrophobicContact CG2-CG 3.92Å; A1061-L1099 HydrophobicContact CB-CD2 4.09Å; I1065-L1099 HydrophobicContact CD1-CD2 3.95Å; V1077-L1099 HydrophobicContact CG1-CD1 4.25Å; V1077-L1099 HydrophobicContact CG1-CD2 4.37Å; W1095-L1099 WeakPolarHBondContact O-CG 3.35Å; W1095-L1099 PolarHBondContact O-N 3.43Å; W1095-L1099 VanDerWaalsContact O-N 3.08Å; L1096-L1099 PolarHBondContact O-N 3.34Å; E1097-L1099 VanDerWaalsContact C-N 3.31Å; E1097-L1099 PolarHBondContact O-N 3.26Å; L1099-L1103 VanDerWaalsContact O-CD1 3.31Å; L1099-L1103 WeakPolarHBondContact O-CD1 3.43Å; L1099-L1108 HydrophobicContact CB-CD2 4.25Å
1100	S	91.5	Very high	91.8	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.007	6%	0.057	C	C	.	.	H	α-helix	trans	-130.5	-17.2	-167.4	67.9	0	0	0	0	115.8	R769 L1096 E1097 L1098	R769-S1100 VanDerWaalsContact CD-CB 3.49Å; R769-S1100 VanDerWaalsContact CD-OG 3.23Å; R769-S1100 WeakPolarHBondContact CD-OG 3.48Å; R769-S1100 PolarHBondContact NH1-OG 3.43Å; L1096-S1100 WeakPolarHBondContact O-CB 3.4Å; L1096-S1100 PolarHBondContact O-N 3.38Å; L1096-S1100 PolarHBondContact O-OG 3.29Å; E1097-S1100 PolarHBondContact O-N 3.12Å; E1097-S1100 VanDerWaalsContact O-N 3.15Å; L1098-S1100 VanDerWaalsContact C-N 3.3Å; L1098-S1100 PolarHBondContact O-N 3.12Å
1101	R	88.7	Confident	91.7	Very high	60 Å²	60	11.4 Å²	11.4	23%	0.226	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	139.6	179.5	-170.6	-180	167.7	157.1	-10.7	111.1	E741 R1062 E1097 L1103	E741-R1101 IonicContact OE1-NH1 3.96Å; R1062-R1101 PolarHBondContact NH1-O 2.98Å; E1097-R1101 HydrophobicContact CG-CB 4.26Å; E1097-R1101 WeakPolarHBondContact O-CB 3.41Å; E1097-R1101 PolarHBondContact O-N 3.07Å; E1097-R1101 WeakPolarHBondContact OE1-CB 3.33Å; E1097-R1101 WeakPolarHBondContact OE1-CD 3.11Å; E1097-R1101 WeakPolarHBondContact OE1-CG 3.32Å; R1101-L1103 VanDerWaalsContact C-N 3.28Å; R1101-L1103 PolarHBondContact O-N 2.74Å
1102	D	85.8	Confident	91.4	Very high	108 Å²	108	12.2 Å²	12.2	58%	0.578	6%	0.062	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.2	21.5	179.8	-44	-52.8	0	0	0	115.6	R1062 L1066	R1062-D1102 IonicContact NH2-OD2 2.63Å; R1062-D1102 PolarHBondContact NH2-OD2 3.32Å; L1066-D1102 HydrophobicContact CD2-CB 4.44Å
1103	L	87.4	Confident	91	Very high	10 Å²	10	13.1 Å²	13.1	5%	0.052	7%	0.066	C	C	.	.			trans	-110.7	161.1	179.5	-67.1	171.3	0	0	0	112.7	S771 I1065 L1066 I1075 L1099 R1101	S771-L1103 PolarHBondContact OG-O 2.84Å; I1065-L1103 HydrophobicContact CG2-CD1 3.4Å; I1065-L1103 VanDerWaalsContact CG2-CD1 3.4Å; I1065-L1103 HydrophobicContact CG2-CD2 3.88Å; I1065-L1103 HydrophobicContact CG2-CG 4.32Å; L1066-L1103 HydrophobicContact CD2-CD2 3.83Å; L1066-L1103 HydrophobicContact CD2-CG 4.32Å; I1075-L1103 HydrophobicContact CD1-CB 4.07Å; I1075-L1103 HydrophobicContact CD1-CD1 4.34Å; I1075-L1103 HydrophobicContact CD1-CD2 4.03Å; I1075-L1103 HydrophobicContact CD1-CG 4.38Å; L1099-L1103 VanDerWaalsContact O-CD1 3.31Å; L1099-L1103 WeakPolarHBondContact O-CD1 3.43Å; R1101-L1103 VanDerWaalsContact C-N 3.28Å; R1101-L1103 PolarHBondContact O-N 2.74Å
1104	P	85.2	Confident	90.4	Very high	25 Å²	25	18.7 Å²	18.7	16%	0.162	9%	0.092	C	C	.	.	S	Bend	trans	-57.5	-170.4	163.3	-24	34	0	0	0	112.9	K1070 A1072 I1075 T1106	K1070-P1104 WeakPolarHBondContact O-CG 3.38Å; A1072-P1104 VanDerWaalsContact O-CB 3.29Å; A1072-P1104 WeakPolarHBondContact O-CB 3.45Å; A1072-P1104 WeakPolarHBondContact O-CG 3.09Å; I1075-P1104 HydrophobicContact CD1-CG 4.45Å; P1104-T1106 PolarHBondContact O-N 3.4Å; P1104-T1106 PolarHBondContact O-OG1 3.29Å
1105	L	89.8	Confident	89.8	Confident	16 Å²	16	21 Å²	21	8%	0.084	11%	0.107	C	C	.	.	S	Bend	trans	-49	112.4	176.2	-179.2	65.7	0	0	0	110.9	F654 L768 L770 F927 L1074 I1075	F654-L1105 HydrophobicContact CD2-CD2 4.07Å; F654-L1105 HydrophobicContact CE2-CD2 3.96Å; L768-L1105 HydrophobicContact CD1-CD1 3.85Å; L768-L1105 HydrophobicContact CD1-CG 4.47Å; L768-L1105 HydrophobicContact CG-CD1 4.41Å; L770-L1105 HydrophobicContact CD2-CD1 3.72Å; F927-L1105 HydrophobicContact CE1-CD2 3.53Å; F927-L1105 HydrophobicContact CZ-CD1 4.36Å; F927-L1105 HydrophobicContact CZ-CD2 3.68Å; L1074-L1105 HydrophobicContact CD1-CD2 3.87Å; L1074-L1105 HydrophobicContact CD1-CG 3.87Å; I1075-L1105 PolarHBondContact N-O 3.34Å
1106	T	92	Very high	89.2	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	124.6	-174.8	-57.4	0	0	0	0	109.2	R769 I1075 V1077 P1104 L1108	R769-T1106 PolarHBondContact N-O 2.93Å; R769-T1106 PolarHBondContact O-N 3.39Å; R769-T1106 VanDerWaalsContact O-N 3.15Å; I1075-T1106 CarbonylContact O-C 3.47Å; I1075-T1106 WeakPolarHBondContact O-CA 3.39Å; V1077-T1106 HydrophobicContact CG2-CG2 4.26Å; P1104-T1106 PolarHBondContact O-N 3.4Å; P1104-T1106 PolarHBondContact O-OG1 3.29Å; T1106-L1108 HydrophobicContact CG2-CD2 4.01Å; T1106-L1108 HydrophobicContact CG2-CG 4.37Å
1107	F	94.6	Very high	88.5	Confident	1 Å²	1	22.5 Å²	22.5	0%	0.004	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	100.9	176.6	-174.5	-143.1	0	0	0	109.5	F654 I733 L768 I951 L1074 I1075 I1076 V1077 L1109	F654-F1107 HydrophobicContact CE1-CD1 4.26Å; F654-F1107 HydrophobicContact CE1-CG 4.3Å; F654-F1107 HydrophobicContact CZ-CB 4.44Å; F654-F1107 HydrophobicContact CZ-CD1 4.25Å; F654-F1107 HydrophobicContact CZ-CG 4.36Å; I733-F1107 HydrophobicContact CD1-CE2 4.17Å; I733-F1107 HydrophobicContact CD1-CZ 3.66Å; I733-F1107 HydrophobicContact CG1-CE2 4.39Å; I733-F1107 HydrophobicContact CG1-CZ 4.15Å; I733-F1107 HydrophobicContact CG2-CE2 4.16Å; L768-F1107 HydrophobicContact CB-CD2 4.29Å; L768-F1107 HydrophobicContact CD1-CB 4.02Å; L768-F1107 HydrophobicContact CD1-CD2 4.04Å; L768-F1107 HydrophobicContact CD1-CG 4.27Å; I951-F1107 HydrophobicContact CG2-CE1 4.2Å; L1074-F1107 HydrophobicContact CD1-CB 4.18Å; I1075-F1107 PolarHBondContact O-N 2.61Å; I1076-F1107 VanDerWaalsContact CA-O 3.28Å; I1076-F1107 WeakPolarHBondContact CA-O 3.18Å; I1076-F1107 HydrophobicContact CG1-CB 4.4Å; I1076-F1107 HydrophobicContact CG1-CD1 4.46Å; V1077-F1107 PolarHBondContact N-O 3Å; F1107-L1109 HydrophobicContact CD1-CD2 4.38Å; F1107-L1109 HydrophobicContact CE1-CB 4.35Å; F1107-L1109 HydrophobicContact CE1-CD1 4.01Å; F1107-L1109 HydrophobicContact CE1-CD2 3.86Å; F1107-L1109 HydrophobicContact CE1-CG 4.31Å; F1107-L1109 HydrophobicContact CZ-CD1 3.78Å; F1107-L1109 HydrophobicContact CZ-CD2 4.48Å; F1107-L1109 HydrophobicContact CZ-CG 4.5Å
1108	L	95.5	Very high	87.6	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	121.5	176	-62.3	177.3	0	0	0	107.8	F736 G766 I767 V1077 I1079 L1096 L1099 T1106	F736-L1108 HydrophobicContact CD2-CD1 4.32Å; G766-L1108 CarbonylContact C-O 3.58Å; G766-L1108 VanDerWaalsContact CA-O 3.25Å; G766-L1108 WeakPolarHBondContact CA-O 3.44Å; I767-L1108 HydrophobicContact CB-CB 4.07Å; I767-L1108 HydrophobicContact CB-CD1 4.38Å; I767-L1108 HydrophobicContact CG2-CD1 4.5Å; I767-L1108 PolarHBondContact N-O 3.05Å; I767-L1108 WeakPolarHBondContact O-CB 3.09Å; I767-L1108 PolarHBondContact O-N 3.14Å; V1077-L1108 HydrophobicContact CB-CD2 3.98Å; V1077-L1108 CarbonylContact O-C 3.42Å; V1077-L1108 WeakPolarHBondContact O-CA 3.01Å; I1079-L1108 HydrophobicContact CG2-CB 3.58Å; I1079-L1108 HydrophobicContact CG2-CD1 4.41Å; I1079-L1108 HydrophobicContact CG2-CD2 3.94Å; I1079-L1108 HydrophobicContact CG2-CG 4.17Å; L1096-L1108 HydrophobicContact CB-CD1 4.11Å; L1096-L1108 HydrophobicContact CD2-CD1 4.23Å; L1099-L1108 HydrophobicContact CB-CD2 4.25Å; T1106-L1108 HydrophobicContact CG2-CD2 4.01Å; T1106-L1108 HydrophobicContact CG2-CG 4.37Å
1109	L	95	Very high	86.4	Confident	1 Å²	1	23.8 Å²	23.8	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	141.7	-169.1	-175.7	60.8	0	0	0	111.8	V765 L947 I951 I1076 V1077 T1078 I1079 F1107	V765-L1109 CarbonylContact O-C 3.52Å; V765-L1109 WeakPolarHBondContact O-CA 3.18Å; L947-L1109 HydrophobicContact CD2-CD1 3.98Å; L947-L1109 HydrophobicContact CD2-CD2 4.48Å; L947-L1109 HydrophobicContact CD2-CG 4.3Å; L947-L1109 HydrophobicContact CG-CD2 4.19Å; L947-L1109 HydrophobicContact CG-CG 4.49Å; I951-L1109 HydrophobicContact CB-CD2 4.29Å; I951-L1109 HydrophobicContact CG1-CD2 3.84Å; I1076-L1109 HydrophobicContact CG2-CB 4.17Å; I1076-L1109 HydrophobicContact CG2-CD2 4.25Å; V1077-L1109 PolarHBondContact O-N 3.21Å; T1078-L1109 VanDerWaalsContact CA-O 3.24Å; T1078-L1109 WeakPolarHBondContact CA-O 3.44Å; I1079-L1109 PolarHBondContact N-O 2.81Å; F1107-L1109 HydrophobicContact CD1-CD2 4.38Å; F1107-L1109 HydrophobicContact CE1-CB 4.35Å; F1107-L1109 HydrophobicContact CE1-CD1 4.01Å; F1107-L1109 HydrophobicContact CE1-CD2 3.86Å; F1107-L1109 HydrophobicContact CE1-CG 4.31Å; F1107-L1109 HydrophobicContact CZ-CD1 3.78Å; F1107-L1109 HydrophobicContact CZ-CD2 4.48Å; F1107-L1109 HydrophobicContact CZ-CG 4.5Å
1110	R	93.6	Very high	84.7	Confident	2 Å²	2	28.8 Å²	28.8	1%	0.008	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	124.9	172.4	-171.9	60.3	155.4	157.7	-1.4	109.1	E88 F759 G764 V765 D943 I1079 V1081	E88-R1110 IonicContact OE1-CZ 2.88Å; E88-R1110 IonicContact OE1-NH2 2.75Å; E88-R1110 PolarHBondContact OE1-NH2 3.1Å; F759-R1110 HydrophobicContact CE1-CB 3.97Å; F759-R1110 HydrophobicContact CE1-CG 3.72Å; F759-R1110 HydrophobicContact CZ-CB 4.03Å; F759-R1110 HydrophobicContact CZ-CG 3.99Å; G764-R1110 CarbonylContact C-O 3.51Å; G764-R1110 WeakPolarHBondContact CA-O 3.42Å; V765-R1110 PolarHBondContact N-O 3.04Å; V765-R1110 PolarHBondContact O-N 3.44Å; D943-R1110 VanDerWaalsContact C-NH1 3.33Å; D943-R1110 PolarHBondContact O-NH1 3.04Å; I1079-R1110 HydrophobicContact CD1-CB 4.32Å; I1079-R1110 HydrophobicContact CG1-CB 3.66Å; I1079-R1110 HydrophobicContact CG1-CG 4.5Å; I1079-R1110 WeakPolarHBondContact O-CD 3.1Å; I1079-R1110 PolarHBondContact O-NE 3.34Å; V1081-R1110 HydrophobicContact CG2-CG 4.06Å
1111	G	89.9	Confident	82.4	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.01	19%	0.185	C	C	.	.			trans	-74	174.3	172.2	0	0	0	0	0	113.4	D944 Q1113	D944-G1111 WeakPolarHBondContact O-CA 3.49Å; G1111-Q1113 VanDerWaalsContact C-N 3.27Å; G1111-Q1113 PolarHBondContact O-N 3.18Å
1112	N	86.4	Confident	82.1	Confident	17 Å²	17	33.7 Å²	33.7	9%	0.091	18%	0.183	C	C	.	.			trans	-87.6	11.6	-178.4	70.5	-18.3	0	0	0	113.9	L113 N762 E1114	L113-N1112 HydrophobicContact CD2-CB 4.49Å; N762-N1112 WeakPolarHBondContact O-CB 3.21Å; N762-N1112 PolarHBondContact O-ND2 3.15Å; N1112-E1114 PolarHBondContact ND2-OE2 3.31Å; N1112-E1114 PolarHBondContact O-N 3.46Å; N1112-E1114 WeakPolarHBondContact OD1-CB 3.44Å; N1112-E1114 PolarHBondContact OD1-N 2.97Å; N1112-E1114 VanDerWaalsContact OD1-N 3.11Å
1113	Q	83.4	Confident	81.9	Confident	18 Å²	18	29.7 Å²	29.7	8%	0.084	16%	0.162	C	C	.	.	S	Bend	trans	68.8	-0.6	-173.9	-56.7	-64.3	27.8	0	0	117.5	R110 L113 L116 D943 D944 G1111	R110-Q1113 WeakPolarHBondContact CD-O 3.43Å; R110-Q1113 PolarHBondContact NH1-O 3.48Å; L113-Q1113 HydrophobicContact CB-CG 4.4Å; L113-Q1113 HydrophobicContact CD1-CG 4.48Å; L116-Q1113 HydrophobicContact CD1-CG 3.93Å; L116-Q1113 VanDerWaalsContact CD1-NE2 3.35Å; D943-Q1113 PolarHBondContact O-NE2 3.06Å; D943-Q1113 PolarHBondContact O-OE1 3.02Å; D944-Q1113 VanDerWaalsContact CA-OE1 3.25Å; G1111-Q1113 VanDerWaalsContact C-N 3.27Å; G1111-Q1113 PolarHBondContact O-N 3.18Å
1114	E	81.2	Confident	81.6	Confident	117 Å²	117	30.8 Å²	30.8	55%	0.547	17%	0.168	S	C	.	.	S	Bend	trans	-78.1	141	167.3	-64.7	179.3	154.8	0	0	110.2	G945 N1112 V1116	G945-E1114 WeakPolarHBondContact CA-O 3.44Å; N1112-E1114 PolarHBondContact ND2-OE2 3.31Å; N1112-E1114 PolarHBondContact O-N 3.46Å; N1112-E1114 WeakPolarHBondContact OD1-CB 3.44Å; N1112-E1114 PolarHBondContact OD1-N 2.97Å; N1112-E1114 VanDerWaalsContact OD1-N 3.11Å; E1114-V1116 PolarHBondContact O-N 2.88Å
1115	P	80.2	Confident	81.3	Confident	49 Å²	49	31.2 Å²	31.2	32%	0.318	17%	0.169	S	C	.	.			trans	-66.1	119.3	178.8	27.3	-32.9	0	0	0	110.1	V631 T1118	V631-P1115 WeakPolarHBondContact CG1-O 3.44Å; V631-P1115 HydrophobicContact CG2-CG 4.08Å; V631-P1115 WeakPolarHBondContact CG2-O 3.34Å; P1115-T1118 HydrophobicContact CB-CG2 4Å
1116	V	81.1	Confident	80.8	Confident	8 Å²	8	32.1 Å²	32.1	5%	0.048	17%	0.174	C	C	.	.	S	Bend	trans	-97	-15	172.1	-57.8	0	0	0	0	112.3	V631 Y634 G945 G946 L947 L950 E1114	V631-V1116 VanDerWaalsContact CG1-C 3.47Å; Y634-V1116 HydrophobicContact CD1-CB 3.8Å; Y634-V1116 HydrophobicContact CD1-CG1 3.93Å; Y634-V1116 HydrophobicContact CD2-CB 4.32Å; Y634-V1116 HydrophobicContact CD2-CG1 3.8Å; Y634-V1116 HydrophobicContact CE1-CB 3.9Å; Y634-V1116 HydrophobicContact CE1-CG1 3.65Å; Y634-V1116 HydrophobicContact CE2-CB 4.4Å; Y634-V1116 HydrophobicContact CE2-CG1 3.5Å; Y634-V1116 HydrophobicContact CG-CB 4.03Å; Y634-V1116 HydrophobicContact CG-CG1 4Å; Y634-V1116 VanDerWaalsContact CZ-CG1 3.42Å; G945-V1116 VanDerWaalsContact O-CG2 3.32Å; G945-V1116 WeakPolarHBondContact O-CG2 3.23Å; G945-V1116 PolarHBondContact O-N 3.35Å; G946-V1116 VanDerWaalsContact C-CG2 3.45Å; L947-V1116 HydrophobicContact CB-CG2 4.28Å; L950-V1116 HydrophobicContact CB-CG2 4.32Å; L950-V1116 HydrophobicContact CD2-CB 4.14Å; L950-V1116 HydrophobicContact CD2-CG2 3.97Å; E1114-V1116 PolarHBondContact O-N 2.88Å
1117	L	79.8	Confident	80.1	Confident	29 Å²	29	34.3 Å²	34.3	15%	0.152	19%	0.186	C	C	.	.			trans	-128.8	136.9	175.1	-73.1	171	0	0	0	108.3	Y96 V949 L950 L992 I994	Y96-L1117 HydrophobicContact CD1-CB 4.44Å; Y96-L1117 WeakPolarHBondContact CD1-O 3.21Å; V949-L1117 HydrophobicContact CB-CD1 4.49Å; L950-L1117 HydrophobicContact CB-CD1 4.08Å; L950-L1117 HydrophobicContact CB-CG 4.37Å; L950-L1117 HydrophobicContact CD1-CD2 4.12Å; L992-L1117 HydrophobicContact CD1-CB 4.36Å; L992-L1117 HydrophobicContact CD1-CD1 4.34Å; L992-L1117 HydrophobicContact CD2-CB 4.03Å; I994-L1117 HydrophobicContact CD1-CD1 3.9Å
1118	T	73.8	Confident	79	Confident	23 Å²	23	36.6 Å²	36.6	14%	0.141	20%	0.199	C	C	.	.			trans	-148.5	148.1	173.8	52.6	0	0	0	0	109.3	Y96 N98 V631 P1115	Y96-T1118 WeakPolarHBondContact O-CA 3.48Å; N98-T1118 HydrophobicContact CB-CG2 4.39Å; V631-T1118 HydrophobicContact CB-CG2 4.28Å; V631-T1118 HydrophobicContact CG1-CG2 3.92Å; V631-T1118 HydrophobicContact CG2-CG2 4.2Å; P1115-T1118 HydrophobicContact CB-CG2 4Å
1119	F	67.8	Low	77.8	Confident	13 Å²	13	39.5 Å²	39.5	6%	0.057	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-113.4	153.2	165.9	64.1	-85.6	0	0	0	110.2	F93 Y96 R97 N98 L988 Q991 L992	F93-F1119 HydrophobicContact CD1-CZ 4.48Å; F93-F1119 HydrophobicContact CE1-CE2 4.42Å; F93-F1119 AromaticContact CE1-CZ 3.76Å; F93-F1119 HydrophobicContact CE1-CZ 3.76Å; F93-F1119 HydrophobicContact CE2-CE1 4.28Å; F93-F1119 AromaticContact CE2-CZ 3.82Å; F93-F1119 HydrophobicContact CE2-CZ 3.82Å; F93-F1119 HydrophobicContact CZ-CE1 4.26Å; F93-F1119 AromaticContact CZ-CE2 3.92Å; F93-F1119 HydrophobicContact CZ-CE2 3.92Å; F93-F1119 AromaticContact CZ-CZ 3.37Å; F93-F1119 HydrophobicContact CZ-CZ 3.37Å; Y96-F1119 WeakPolarHBondContact O-CD1 3.26Å; Y96-F1119 PolarHBondContact O-N 3.38Å; Y96-F1119 VanDerWaalsContact O-N 3.17Å; R97-F1119 HydrophobicContact CB-CE1 4.34Å; R97-F1119 HydrophobicContact CB-CE2 4.13Å; R97-F1119 HydrophobicContact CB-CZ 3.7Å; R97-F1119 HydrophobicContact CG-CE2 3.96Å; R97-F1119 HydrophobicContact CG-CZ 4.04Å; N98-F1119 PolarHBondContact N-O 2.99Å; N98-F1119 VanDerWaalsContact N-O 3.1Å; L988-F1119 HydrophobicContact CD1-CD1 4.01Å; L988-F1119 HydrophobicContact CD1-CE1 3.57Å; Q991-F1119 HydrophobicContact CB-CB 4.28Å; Q991-F1119 HydrophobicContact CB-CD1 4.34Å; Q991-F1119 HydrophobicContact CB-CD2 4.33Å; Q991-F1119 HydrophobicContact CB-CG 4.05Å; L992-F1119 HydrophobicContact CD2-CB 4.42Å; L992-F1119 HydrophobicContact CD2-CD1 4.27Å
1120	Y	56	Low	76.3	Confident	105 Å²	105	42.7 Å²	42.7	41%	0.412	23%	0.231	S	C	.	.			trans	-93.2	129.8	165.5	-74.7	-96	0	0	0	106.8	N98 L100 K632	N98-Y1120 PolarHBondContact ND2-OH 3.43Å; L100-Y1120 HydrophobicContact CD1-CE1 4.04Å; K632-Y1120 VanDerWaalsContact CE-CE2 3.44Å
1121	S	42.9	Very low	74.8	Confident	130 Å²	130	46.4 Å²	46.4	91%	0.909	25%	0.252	S	S	*	.			trans	-86.7	0	164.8	177.6	0	0	0	0	109.9

Retrieved 1,121 of 1,121 residues in 677.6 ms (Link to these results)

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