A0A5K4F2B3_SCHMA Loading...

VWFA domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F2B3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,281 aa.

						>A0A5K4F2B3_SCHMA|A0A5K4F2B3
MSEAQAEGLTLFLRDQATLKNRAELGTSPRREKPKWDSKFNTNLHAFASSDDQFLRTKLHHYYELNEVKSQNIRAEESVKQSTNEWLENYGLKAKRLTLDDFIAMGKIPDGVMEEFSANSDLTLNQIVDEFKKNFPSHLEYNSKQVNQFECGLHESIFTYTNRIRWLMEDTKKIFGLIRGENIGLLLDSSDANLGFNRDKQFKEHLIELVNEQITADRLKTLYVASYGTNINSLWPYPMCANTRAINELKYFIREQLIPMGGSNLLSGIKHMIMFGRKQLDVIIIVCGSYPDQPAIFIQQYLEQIFAGLTSPRLHLVAYDCRNPEVNQLLAQLATIKSDFIYHCYLTENESAVYTSDEIARLLKEINDAQKVLEVVGHLRQEMESSSTIAQQATDEVNMVSNAMCTSPVYYLPQPTDTSLLHGKLQLDHLHRQCCRQWKPFQPTSSQVWLHKHGLKARKLNLFQMLAPNAYSQVVGYIPSIQRSVSAQIHEKCMVQVRWLDGSIKNVHVDPNELYKYQTQITNLVGLLEKRIHWLTQKSRGYFGTLIEPNVIILTDLSEYNTIYMVHIHYCLRHLLEEQISTKSKFNLIIFGSNSMAYQSNLIDVNVNTLQASWDWFKTHNCNGSRNLLSALRLVFESQSEKDLFESHLGIYIFTSGIPDQDSEVISSYLEAKRCTFLNTDVHVALYHVDNIITDKHFPCRYANITETANSLREIAHSTPNGRFHWFRENGIIESDDVRVLLDEIDEAVSYSKQAQLLVASITDKRVGSEADWNKSDKSIVSKSVSTANQLLGGLDPSNQIEPRLNLLTLARKEAIDAKMKSITTDNDSHPKALTWYQEANNTDRIRPNPMKSKVSGRKKSNILAKPIQIKRFNCQIPTDEERLTSREWLRKYSIRSLGLNLTRLTSGMDCKHEMSFVNSTRTMVHARYCSGLFPLVNVAGTLRHLQYTLDELEAFEQEVAKALKRYIKRYEWLTTGSRKYFGLICEECIVILIDTSGSMDAHLNEIKTYLKLLIWEQLHKNKVFFNMVSFSSTLLEWQASGVVMADEVYCHDAIAWIDQLKATGGTCTGEAILCGLNHLQIMNSSNIKEMYDVNFNEMSKGIYLITDGKPDVSCSSLIKNIDEVWNFNPDSNVDLQNKKIQKNSKTLNNTSRRDKIKHTKASKLVQLYKCPPIHTISYTNDQTAILFLKKLSNLTNGRFHTFLDMTSTTNLFLDYLLQSFSKMNTSENDISKNQKDILSFPNIQSDDIRLIQKEIRTAYRTLICLKYFQDVYKETKLLRK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.5	Very low	38.6	Very low	220 Å²	220	118.5 Å²	118.5	100%	1.084	68%	0.675	S	S	*	*				0	-2	0	-70	-135.4	-53.5	0	0	113.8
2	S	43.3	Very low	38.4	Very low	104 Å²	104	120.4 Å²	120.4	73%	0.727	67%	0.67	S	S	*	*			trans	-93.1	-4.5	178	49.2	0	0	0	0	114.9
3	E	34.2	Very low	38.6	Very low	168 Å²	168	120.6 Å²	120.6	79%	0.785	67%	0.668	S	S	*	*	S	Bend	trans	-94.8	-25.6	177.6	-83	173.7	146.5	0	0	113.8	Q5	E3-Q5 VanDerWaalsContact C-N 3.35Å; E3-Q5 PolarHBondContact O-N 2.84Å
4	A	38.6	Very low	38.5	Very low	81 Å²	81	126 Å²	126	67%	0.669	67%	0.673	S	S	*	*	H	α-helix	trans	-78.4	-14	-179.9	0	0	0	0	0	114.4
5	Q	38.6	Very low	38.6	Very low	149 Å²	149	126.1 Å²	126.1	70%	0.696	67%	0.674	S	S	*	*	H	α-helix	trans	-89.7	-16.1	177.1	-74.1	177.4	-38.5	0	0	113.1	E3	E3-Q5 VanDerWaalsContact C-N 3.35Å; E3-Q5 PolarHBondContact O-N 2.84Å
6	A	39	Very low	38.5	Very low	57 Å²	57	128.1 Å²	128.1	47%	0.471	68%	0.678	S	S	.	*	H	α-helix	trans	-82.2	-30.4	178.6	0	0	0	0	0	112.9	T10	A6-T10 PolarHBondContact O-N 2.71Å; A6-T10 PolarHBondContact O-OG1 3.35Å
7	E	42.3	Very low	38.4	Very low	149 Å²	149	125.7 Å²	125.7	70%	0.696	68%	0.681	S	S	*	*	H	α-helix	trans	-75.8	-28.9	177.5	-71.5	-175	151.9	0	0	113	L11	E7-L11 PolarHBondContact O-N 3.15Å
8	G	35.1	Very low	38.4	Very low	48 Å²	48	125.1 Å²	125.1	50%	0.495	68%	0.682	S	S	.	*	H	α-helix	trans	-70.5	-34.2	175.5	0	0	0	0	0	114.2	F12	G8-F12 PolarHBondContact O-N 3.03Å
9	L	35.6	Very low	38.1	Very low	108 Å²	108	126.9 Å²	126.9	57%	0.565	69%	0.69	S	S	*	*	H	α-helix	trans	-75.3	-28.6	176.9	-101.7	144.6	0	0	0	112.8	F12 L13	L9-F12 PolarHBondContact O-N 3.25Å; L9-L13 HydrophobicContact CD2-CD1 4.5Å; L9-L13 WeakPolarHBondContact O-CG 3.49Å; L9-L13 PolarHBondContact O-N 3.23Å; L9-L13 VanDerWaalsContact O-N 3.15Å
10	T	41.1	Very low	37.8	Very low	94 Å²	94	130.4 Å²	130.4	58%	0.577	70%	0.698	S	S	*	*	H	α-helix	trans	-77	-25.8	179.5	-46.5	0	0	0	0	112.3	A6	A6-T10 PolarHBondContact O-N 2.71Å; A6-T10 PolarHBondContact O-OG1 3.35Å
11	L	43.5	Very low	37.5	Very low	125 Å²	125	131.9 Å²	131.9	65%	0.654	71%	0.706	S	S	*	*	H	α-helix	trans	-78.3	-35.6	171.1	-83.7	157.7	0	0	0	112.4	E7 R14	E7-L11 PolarHBondContact O-N 3.15Å; L11-R14 PolarHBondContact O-N 3.38Å
12	F	35.8	Very low	37.5	Very low	142 Å²	142	133.4 Å²	133.4	62%	0.623	70%	0.7	S	S	*	*	H	α-helix	trans	-70.8	-34.9	177.7	-173.2	-104	0	0	0	113.3	G8 L9 R14	G8-F12 PolarHBondContact O-N 3.03Å; L9-F12 PolarHBondContact O-N 3.25Å; F12-R14 VanDerWaalsContact C-N 3.31Å; F12-R14 PolarHBondContact O-N 3.02Å
13	L	41.7	Very low	36.9	Very low	123 Å²	123	132.9 Å²	132.9	64%	0.644	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-10.6	178.6	-69.4	170.1	0	0	0	113.8	L9	L9-L13 HydrophobicContact CD2-CD1 4.5Å; L9-L13 WeakPolarHBondContact O-CG 3.49Å; L9-L13 PolarHBondContact O-N 3.23Å; L9-L13 VanDerWaalsContact O-N 3.15Å
14	R	36.4	Very low	36.7	Very low	196 Å²	196	133.2 Å²	133.2	74%	0.74	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	-21.2	179.2	-142.2	172.9	-168.5	166.5	3	113.4	L11 F12	L11-R14 PolarHBondContact O-N 3.38Å; F12-R14 VanDerWaalsContact C-N 3.31Å; F12-R14 PolarHBondContact O-N 3.02Å
15	D	39.7	Very low	36.4	Very low	128 Å²	128	137.6 Å²	137.6	68%	0.684	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-8.7	-177.9	-89.9	-6.1	0	0	0	114.8
16	Q	38.1	Very low	36.1	Very low	158 Å²	158	133.6 Å²	133.6	74%	0.738	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-4.6	176	-71.3	-145.1	-7.6	0	0	114.8
17	A	36.5	Very low	35.8	Very low	87 Å²	87	137.5 Å²	137.5	72%	0.719	73%	0.731	S	S	*	*	S	Bend	trans	-90.8	1.6	-175.5	0	0	0	0	0	115.1
18	T	37.8	Very low	35.1	Very low	115 Å²	115	136 Å²	136	71%	0.706	74%	0.738	S	S	*	*	S	Bend	trans	-111.4	5.6	-170.5	38.3	0	0	0	0	115.7
19	L	34	Very low	34.9	Very low	160 Å²	160	138.8 Å²	138.8	84%	0.838	75%	0.747	S	S	*	*			trans	-110.8	12.8	-174.4	-90	156.8	0	0	0	116.4
20	K	31.3	Very low	34.4	Very low	196 Å²	196	145 Å²	145	85%	0.852	76%	0.763	S	S	*	*			trans	-111.4	89	168.5	-78.9	-178.5	176.5	176.7	0	109.9
21	N	31	Very low	33.8	Very low	162 Å²	162	152.6 Å²	152.6	87%	0.866	78%	0.781	S	S	*	*			trans	171.9	86.8	152.8	-89	-23.8	0	0	0	111.7
22	R	33.1	Very low	33	Very low	252 Å²	252	155.7 Å²	155.7	95%	0.951	79%	0.792	S	S	*	*			trans	164.6	137.4	155.7	-101.4	173.9	175.6	172.6	-0.2	107.1
23	A	31.6	Very low	32.5	Very low	92 Å²	92	158.5 Å²	158.5	76%	0.76	80%	0.804	S	S	*	*			cis	-174.2	151.4	-14.3	0	0	0	0	0	103.6
24	E	29.8	Very low	31.8	Very low	175 Å²	175	157 Å²	157	82%	0.818	80%	0.801	S	S	*	*			trans	-65.6	171.2	-174.1	-59.6	167	144.8	0	0	115
25	L	32.3	Very low	31.3	Very low	173 Å²	173	157.3 Å²	157.3	91%	0.906	81%	0.808	S	S	*	*			trans	95.6	121.7	155	-65.1	140.2	0	0	0	118.6
26	G	31.8	Very low	30.8	Very low	65 Å²	65	161.6 Å²	161.6	67%	0.67	82%	0.815	S	S	*	*			trans	131.2	70.8	138.7	0	0	0	0	0	118.6
27	T	32.6	Very low	30.4	Very low	139 Å²	139	161.1 Å²	161.1	85%	0.853	82%	0.817	S	S	*	*			trans	43	132	131.9	58	0	0	0	0	123
28	S	27.8	Very low	29.9	Very low	119 Å²	119	161.9 Å²	161.9	83%	0.832	82%	0.817	S	S	*	*			trans	102.4	143.5	138.4	155.2	0	0	0	0	119.6
29	P	30.8	Very low	29.5	Very low	105 Å²	105	165.6 Å²	165.6	68%	0.682	82%	0.824	S	S	*	*				-124.9	175.6	-123.2	43.8	-32.8	0	0	0	116.3
30	R	25.9	Very low	29.2	Very low	240 Å²	240	166.7 Å²	166.7	91%	0.906	82%	0.822	S	S	*	*			trans	54.8	104.1	152.9	-75.3	-179.2	179.4	-165.8	-0.5	118.2
31	R	28.5	Very low	29.2	Very low	253 Å²	253	162.4 Å²	162.4	96%	0.955	81%	0.809	S	S	*	*			trans	-140	120.3	138.4	-96.3	-176.5	177.5	172.4	-0.8	110.2
32	E	26.2	Very low	29.1	Very low	190 Å²	190	160.5 Å²	160.5	89%	0.888	80%	0.803	S	S	*	*			trans	-58.7	146.1	167	-65	170.5	145.6	0	0	111.5
33	K	26.5	Very low	29	Very low	201 Å²	201	155.3 Å²	155.3	87%	0.874	79%	0.794	S	S	*	*			trans	-175.8	151.3	158.5	-109.9	175.6	-169.5	-169.9	0	110
34	P	27.1	Very low	29	Very low	91 Å²	91	158.2 Å²	158.2	59%	0.591	80%	0.796	S	S	*	*				-126.7	168	-74.2	32.4	-15.1	0	0	0	112.1	W36	P34-W36 PolarHBondContact O-N 3.18Å
35	K	24.9	Very low	29.1	Very low	202 Å²	202	159.5 Å²	159.5	88%	0.878	80%	0.802	S	S	*	*			trans	-55.9	129.8	165.1	-71	177.8	174.2	-178.2	0	110.3
36	W	29.4	Very low	29.1	Very low	219 Å²	219	154.3 Å²	154.3	83%	0.83	78%	0.783	S	S	*	*			trans	-116.8	105.8	166.1	-84.4	78.3	0	0	0	109.1	P34	P34-W36 PolarHBondContact O-N 3.18Å
37	D	29.3	Very low	29.2	Very low	148 Å²	148	161 Å²	161	79%	0.791	79%	0.794	S	S	*	*			trans	-69.2	151.8	169.9	-89.2	-40.6	0	0	0	111.7
38	S	26	Very low	29.3	Very low	103 Å²	103	159.3 Å²	159.3	72%	0.72	80%	0.795	S	S	*	*	S	Bend	trans	-53.1	129	171.1	58	0	0	0	0	113
39	K	29	Very low	29.7	Very low	193 Å²	193	159.1 Å²	159.1	84%	0.839	79%	0.793	S	S	*	*			trans	144.4	71.8	151.2	-82.3	172.4	179.7	-178.4	0	112.2
40	F	28.6	Very low	29.9	Very low	182 Å²	182	159.4 Å²	159.4	80%	0.798	80%	0.798	S	S	*	*			trans	-165	130	163.1	-94.5	-87.7	0	0	0	104.5
41	N	30.5	Very low	30.6	Very low	107 Å²	107	155.2 Å²	155.2	57%	0.572	79%	0.793	S	S	*	*			cis	-162.7	117	5	-123.4	1.3	0	0	0	106.9
42	T	29.1	Very low	31.3	Very low	121 Å²	121	147.6 Å²	147.6	74%	0.742	77%	0.772	S	S	*	*	S	Bend	trans	-52.7	135	136.3	43.7	0	0	0	0	108.1
43	N	31.6	Very low	32.2	Very low	143 Å²	143	147 Å²	147	77%	0.765	77%	0.769	S	S	*	*			trans	111.5	59.3	175.5	-55.1	-24.3	0	0	0	117.6
44	L	31	Very low	32.9	Very low	154 Å²	154	145.6 Å²	145.6	81%	0.806	76%	0.763	S	S	*	*			trans	-131	53.8	153.5	-104.3	107	0	0	0	111.7
45	H	32.9	Very low	33.9	Very low	202 Å²	202	146.1 Å²	146.1	94%	0.935	76%	0.76	S	S	*	*			trans	-107.3	67	155.8	-90.7	-72.5	0	0	0	108.4
46	A	32	Very low	34.7	Very low	63 Å²	63	146.7 Å²	146.7	52%	0.521	76%	0.757	S	S	.	*	S	Bend	trans	-173.4	140.7	165	0	0	0	0	0	107.1
47	F	33.3	Very low	35.7	Very low	206 Å²	206	140.1 Å²	140.1	90%	0.904	74%	0.741	S	S	*	*			trans	80.4	85.2	179.7	-49.7	-77	0	0	0	116.3
48	A	34.5	Very low	36.9	Very low	104 Å²	104	141.2 Å²	141.2	86%	0.86	74%	0.739	S	S	*	*				170.1	140	109.4	0	0	0	0	0	110.5
49	S	37.6	Very low	38.1	Very low	115 Å²	115	140.5 Å²	140.5	80%	0.804	73%	0.726	S	S	*	*			trans	-60.1	161.5	-164.2	47.7	0	0	0	0	117.3	D51	S49-D51 PolarHBondContact O-N 3.34Å
50	S	34.5	Very low	39.3	Very low	111 Å²	111	136.9 Å²	136.9	78%	0.776	71%	0.712	S	S	*	*	S	Bend	trans	-78	8.7	-159.8	47.1	0	0	0	0	119.2
51	D	41	Very low	40.7	Very low	151 Å²	151	133.6 Å²	133.6	81%	0.807	70%	0.699	S	S	*	*			trans	-126.9	19.6	-164	-75.6	-32.5	0	0	0	117.6	S49	S49-D51 PolarHBondContact O-N 3.34Å
52	D	43.4	Very low	42.3	Very low	94 Å²	94	135.1 Å²	135.1	50%	0.503	70%	0.698	S	S	.	*			trans	-126.4	78.7	179.3	-142.3	-14.9	0	0	0	113.7	F54 L55	D52-F54 PolarHBondContact O-N 3.44Å; D52-F54 VanDerWaalsContact O-N 3.16Å; D52-L55 HydrophobicContact CB-CB 4.31Å; D52-L55 PolarHBondContact O-N 3.4Å
53	Q	43.1	Very low	43.4	Very low	177 Å²	177	136.4 Å²	136.4	83%	0.827	69%	0.69	S	S	*	*	H	α-helix	trans	-57.1	-24.2	175	-77.6	-176.1	-2.1	0	0	112.7	T57	Q53-T57 PolarHBondContact O-N 3.48Å; Q53-T57 PolarHBondContact O-OG1 3.17Å
54	F	42.6	Very low	44.7	Very low	171 Å²	171	133.6 Å²	133.6	75%	0.75	67%	0.672	S	S	*	*	H	α-helix	trans	-75.9	-33.8	178.6	-93.1	-84.4	0	0	0	113.6	D52 T57 K58	D52-F54 PolarHBondContact O-N 3.44Å; D52-F54 VanDerWaalsContact O-N 3.16Å; F54-T57 WeakPolarHBondContact CA-OG1 2.99Å; F54-T57 PolarHBondContact O-OG1 3.43Å; F54-K58 PolarHBondContact O-N 2.94Å
55	L	48.1	Very low	45.7	Very low	103 Å²	103	130.8 Å²	130.8	54%	0.539	66%	0.658	S	S	.	*	H	α-helix	trans	-71.9	-35.9	177.6	-121.7	108.4	0	0	0	111.5	D52 K58 L59	D52-L55 HydrophobicContact CB-CB 4.31Å; D52-L55 PolarHBondContact O-N 3.4Å; L55-K58 PolarHBondContact O-N 2.76Å; L55-L59 HydrophobicContact CD2-CD1 4.29Å; L55-L59 PolarHBondContact O-N 2.7Å
56	R	41.5	Very low	46.5	Very low	213 Å²	213	124.2 Å²	124.2	80%	0.804	63%	0.63	S	S	*	*	H	α-helix	trans	-62.5	-40.8	175.3	-120.2	-179.7	-175.1	-172.6	1.3	112	H60	R56-H60 VanDerWaalsContact O-CB 3.29Å; R56-H60 WeakPolarHBondContact O-CB 3.11Å; R56-H60 PolarHBondContact O-N 3.45Å
57	T	50.9	Low	47.5	Very low	81 Å²	81	126.9 Å²	126.9	50%	0.497	63%	0.631	S	S	.	*	H	α-helix	trans	-68.5	-39.9	176.7	13.7	0	0	0	0	112.1	Q53 F54 H61	Q53-T57 PolarHBondContact O-N 3.48Å; Q53-T57 PolarHBondContact O-OG1 3.17Å; F54-T57 WeakPolarHBondContact CA-OG1 2.99Å; F54-T57 PolarHBondContact O-OG1 3.43Å; T57-H61 WeakPolarHBondContact O-CB 3.19Å; T57-H61 PolarHBondContact O-N 3.31Å
58	K	54.4	Low	48.1	Very low	172 Å²	172	120.6 Å²	120.6	75%	0.748	61%	0.61	S	S	*	*	H	α-helix	trans	-67.4	-42.4	177.8	-97.8	-176.1	177	177.1	0	113.7	F54 L55 H61 Y62	F54-K58 PolarHBondContact O-N 2.94Å; L55-K58 PolarHBondContact O-N 2.76Å; K58-H61 PolarHBondContact O-N 3.14Å; K58-Y62 WeakPolarHBondContact O-CB 3.45Å; K58-Y62 PolarHBondContact O-N 3.41Å
59	L	51.6	Low	48.5	Very low	87 Å²	87	121.6 Å²	121.6	46%	0.455	59%	0.594	S	S	.	*	H	α-helix	trans	-66.4	-41.5	176.1	-100.8	137.4	0	0	0	111.1	L55 Y62 Y63	L55-L59 HydrophobicContact CD2-CD1 4.29Å; L55-L59 PolarHBondContact O-N 2.7Å; L59-Y62 PolarHBondContact O-N 2.56Å; L59-Y63 HydrophobicContact CD2-CD2 4.35Å; L59-Y63 HydrophobicContact CD2-CE2 3.58Å; L59-Y63 WeakPolarHBondContact O-CD2 3.42Å; L59-Y63 PolarHBondContact O-N 3.11Å
60	H	53.4	Low	48.6	Very low	117 Å²	117	118.4 Å²	118.4	54%	0.542	57%	0.572	S	S	.	*	H	α-helix	trans	-62.2	-46	175.1	-154.6	-79.5	0	0	0	111.7	R56 Y62 Y63 E64	R56-H60 VanDerWaalsContact O-CB 3.29Å; R56-H60 WeakPolarHBondContact O-CB 3.11Å; R56-H60 PolarHBondContact O-N 3.45Å; H60-Y62 VanDerWaalsContact C-N 3.32Å; H60-Y62 PolarHBondContact O-N 2.83Å; H60-Y63 PolarHBondContact O-N 2.9Å; H60-E64 IonicContact CE1-OE1 3.65Å; H60-E64 PolarHBondContact CE1-OE1 2.83Å; H60-E64 VanDerWaalsContact ND1-CD 3.31Å; H60-E64 IonicContact ND1-OE1 3.61Å; H60-E64 PolarHBondContact ND1-OE1 3.46Å; H60-E64 IonicContact ND1-OE2 3.86Å; H60-E64 WeakPolarHBondContact O-CB 3.48Å; H60-E64 WeakPolarHBondContact O-CG 3.34Å; H60-E64 PolarHBondContact O-N 3.31Å
61	H	57.2	Low	49	Very low	114 Å²	114	118.8 Å²	118.8	53%	0.528	56%	0.562	S	S	.	*	H	α-helix	trans	-61	-37.7	175.1	-117.5	123.8	0	0	0	112.7	T57 K58 L65	T57-H61 WeakPolarHBondContact O-CB 3.19Å; T57-H61 PolarHBondContact O-N 3.31Å; K58-H61 PolarHBondContact O-N 3.14Å; H61-L65 VanDerWaalsContact O-CB 3.24Å; H61-L65 WeakPolarHBondContact O-CB 3.5Å; H61-L65 WeakPolarHBondContact O-CD1 3.26Å; H61-L65 VanDerWaalsContact O-CG 3.29Å; H61-L65 WeakPolarHBondContact O-CG 3.32Å; H61-L65 PolarHBondContact O-N 3.12Å
62	Y	65.3	Low	49.1	Very low	138 Å²	138	116.4 Å²	116.4	54%	0.541	55%	0.549	S	S	.	.	H	α-helix	trans	-67.3	-41.2	178	-177.5	-95.1	0	0	0	111.8	K58 L59 H60 N66	K58-Y62 WeakPolarHBondContact O-CB 3.45Å; K58-Y62 PolarHBondContact O-N 3.41Å; L59-Y62 PolarHBondContact O-N 2.56Å; H60-Y62 VanDerWaalsContact C-N 3.32Å; H60-Y62 PolarHBondContact O-N 2.83Å; Y62-N66 WeakPolarHBondContact CE1-ND2 3.4Å; Y62-N66 VanDerWaalsContact CZ-ND2 3.34Å; Y62-N66 WeakPolarHBondContact O-CB 3.4Å; Y62-N66 PolarHBondContact O-N 3.32Å; Y62-N66 PolarHBondContact OH-ND2 2.88Å
63	Y	52.1	Low	49.1	Very low	149 Å²	149	116.7 Å²	116.7	58%	0.584	55%	0.55	S	S	*	.	H	α-helix	trans	-67.6	-43	174.5	-74.5	-63.4	0	0	0	111.9	L59 H60 L65 N66 E67	L59-Y63 HydrophobicContact CD2-CD2 4.35Å; L59-Y63 HydrophobicContact CD2-CE2 3.58Å; L59-Y63 WeakPolarHBondContact O-CD2 3.42Å; L59-Y63 PolarHBondContact O-N 3.11Å; H60-Y63 PolarHBondContact O-N 2.9Å; Y63-L65 PolarHBondContact O-N 3.44Å; Y63-N66 PolarHBondContact O-N 3.49Å; Y63-E67 PolarHBondContact O-N 2.97Å
64	E	57.4	Low	49.5	Very low	83 Å²	83	115.7 Å²	115.7	39%	0.388	54%	0.538	S	S	.	.	H	α-helix	trans	-60.9	-43.4	173.5	-78.2	174.2	170.6	0	0	111.8	H60 N66 E67 V68	H60-E64 IonicContact CE1-OE1 3.65Å; H60-E64 PolarHBondContact CE1-OE1 2.83Å; H60-E64 VanDerWaalsContact ND1-CD 3.31Å; H60-E64 IonicContact ND1-OE1 3.61Å; H60-E64 PolarHBondContact ND1-OE1 3.46Å; H60-E64 IonicContact ND1-OE2 3.86Å; H60-E64 WeakPolarHBondContact O-CB 3.48Å; H60-E64 WeakPolarHBondContact O-CG 3.34Å; H60-E64 PolarHBondContact O-N 3.31Å; E64-N66 VanDerWaalsContact C-N 3.35Å; E64-N66 PolarHBondContact O-N 3.49Å; E64-E67 PolarHBondContact O-N 2.75Å; E64-V68 WeakPolarHBondContact O-CB 3.4Å; E64-V68 VanDerWaalsContact O-CG2 3.25Å; E64-V68 WeakPolarHBondContact O-CG2 3.37Å; E64-V68 PolarHBondContact O-N 3Å
65	L	52.4	Low	49.9	Very low	96 Å²	96	109.7 Å²	109.7	50%	0.503	52%	0.52	S	S	.	.	H	α-helix	trans	-65.1	-36.6	176.7	-82.5	163.5	0	0	0	112.6	H61 Y63 K69	H61-L65 VanDerWaalsContact O-CB 3.24Å; H61-L65 WeakPolarHBondContact O-CB 3.5Å; H61-L65 WeakPolarHBondContact O-CD1 3.26Å; H61-L65 VanDerWaalsContact O-CG 3.29Å; H61-L65 WeakPolarHBondContact O-CG 3.32Å; H61-L65 PolarHBondContact O-N 3.12Å; Y63-L65 PolarHBondContact O-N 3.44Å; L65-K69 WeakPolarHBondContact O-CB 3.18Å; L65-K69 WeakPolarHBondContact O-CG 3.16Å; L65-K69 PolarHBondContact O-N 3.06Å
66	N	50.8	Low	50.1	Low	64 Å²	64	112 Å²	112	34%	0.342	53%	0.528	S	S	.	.	H	α-helix	trans	-73.3	-34.7	174.6	-87	-12.4	0	0	0	112	Y62 Y63 E64 K69 S70	Y62-N66 WeakPolarHBondContact CE1-ND2 3.4Å; Y62-N66 VanDerWaalsContact CZ-ND2 3.34Å; Y62-N66 WeakPolarHBondContact O-CB 3.4Å; Y62-N66 PolarHBondContact O-N 3.32Å; Y62-N66 PolarHBondContact OH-ND2 2.88Å; Y63-N66 PolarHBondContact O-N 3.49Å; E64-N66 VanDerWaalsContact C-N 3.35Å; E64-N66 PolarHBondContact O-N 3.49Å; N66-K69 PolarHBondContact O-N 3.19Å; N66-S70 VanDerWaalsContact O-CB 3.29Å; N66-S70 WeakPolarHBondContact O-CB 3.38Å; N66-S70 PolarHBondContact O-N 3.21Å; N66-S70 PolarHBondContact O-OG 2.9Å
67	E	52.5	Low	50.9	Low	119 Å²	119	107.1 Å²	107.1	56%	0.556	51%	0.514	S	S	*	.	H	α-helix	trans	-60.2	-50	169	-99.3	-168.3	143.9	0	0	110.6	Y63 E64 K69 S70 Q71	Y63-E67 PolarHBondContact O-N 2.97Å; E64-E67 PolarHBondContact O-N 2.75Å; E67-K69 VanDerWaalsContact C-N 3.35Å; E67-K69 PolarHBondContact O-N 3.29Å; E67-S70 WeakPolarHBondContact CA-OG 3.23Å; E67-S70 PolarHBondContact O-N 3.31Å; E67-S70 VanDerWaalsContact O-N 3.16Å; E67-S70 PolarHBondContact O-OG 3.31Å; E67-Q71 WeakPolarHBondContact O-CB 3.42Å; E67-Q71 WeakPolarHBondContact O-CG 3.13Å; E67-Q71 PolarHBondContact O-N 2.79Å
68	V	46.3	Very low	51.4	Low	74 Å²	74	104.2 Å²	104.2	45%	0.448	50%	0.497	S	S	.	.	H	α-helix	trans	-61.3	-40.7	177.1	173.8	0	0	0	0	111.6	E64 Q71 N72	E64-V68 WeakPolarHBondContact O-CB 3.4Å; E64-V68 VanDerWaalsContact O-CG2 3.25Å; E64-V68 WeakPolarHBondContact O-CG2 3.37Å; E64-V68 PolarHBondContact O-N 3Å; V68-Q71 PolarHBondContact O-N 3.48Å; V68-N72 WeakPolarHBondContact O-CB 3.16Å; V68-N72 PolarHBondContact O-N 3.27Å
69	K	42.2	Very low	51.9	Low	124 Å²	124	98.8 Å²	98.8	54%	0.539	48%	0.479	S	S	.	.	H	α-helix	trans	-65	-41.8	174.3	-81	179.7	179.1	179.5	0	112.3	L65 N66 E67 Q71 N72 I73	L65-K69 WeakPolarHBondContact O-CB 3.18Å; L65-K69 WeakPolarHBondContact O-CG 3.16Å; L65-K69 PolarHBondContact O-N 3.06Å; N66-K69 PolarHBondContact O-N 3.19Å; E67-K69 VanDerWaalsContact C-N 3.35Å; E67-K69 PolarHBondContact O-N 3.29Å; K69-Q71 VanDerWaalsContact C-N 3.32Å; K69-N72 PolarHBondContact O-N 3.08Å; K69-I73 WeakPolarHBondContact O-CG1 3.42Å; K69-I73 PolarHBondContact O-N 2.92Å
70	S	40.8	Very low	52.6	Low	49 Å²	49	102.7 Å²	102.7	34%	0.343	49%	0.492	S	S	.	.	H	α-helix	trans	-67	-35.6	177.1	73.7	0	0	0	0	111.9	N66 E67 R74	N66-S70 VanDerWaalsContact O-CB 3.29Å; N66-S70 WeakPolarHBondContact O-CB 3.38Å; N66-S70 PolarHBondContact O-N 3.21Å; N66-S70 PolarHBondContact O-OG 2.9Å; E67-S70 WeakPolarHBondContact CA-OG 3.23Å; E67-S70 PolarHBondContact O-N 3.31Å; E67-S70 VanDerWaalsContact O-N 3.16Å; E67-S70 PolarHBondContact O-OG 3.31Å; S70-R74 WeakPolarHBondContact O-CB 3.43Å; S70-R74 WeakPolarHBondContact O-CG 3.45Å; S70-R74 PolarHBondContact O-N 2.87Å
71	Q	42.7	Very low	53.5	Low	118 Å²	118	98.8 Å²	98.8	55%	0.551	47%	0.474	S	S	*	.	H	α-helix	trans	-65.7	-40.5	171.6	-73.7	177.3	0	0	0	111.4	E67 V68 K69 R74 A75	E67-Q71 WeakPolarHBondContact O-CB 3.42Å; E67-Q71 WeakPolarHBondContact O-CG 3.13Å; E67-Q71 PolarHBondContact O-N 2.79Å; V68-Q71 PolarHBondContact O-N 3.48Å; K69-Q71 VanDerWaalsContact C-N 3.32Å; Q71-R74 PolarHBondContact O-N 2.97Å; Q71-A75 WeakPolarHBondContact O-CB 3.4Å; Q71-A75 PolarHBondContact O-N 3.32Å
72	N	42.3	Very low	54.4	Low	102 Å²	102	93.9 Å²	93.9	55%	0.545	45%	0.453	S	S	.	.	H	α-helix	trans	-66.6	-40.5	175.7	-90.9	-21.3	0	0	0	113.3	V68 K69 A75 E76	V68-N72 WeakPolarHBondContact O-CB 3.16Å; V68-N72 PolarHBondContact O-N 3.27Å; K69-N72 PolarHBondContact O-N 3.08Å; N72-A75 WeakPolarHBondContact O-CB 3.42Å; N72-A75 PolarHBondContact O-N 3.33Å; N72-E76 PolarHBondContact O-N 3.06Å
73	I	43	Very low	55.3	Low	100 Å²	100	87.4 Å²	87.4	51%	0.513	43%	0.427	S	S	.	.	H	α-helix	trans	-64.9	-44.1	175.8	-65.6	165.2	0	0	0	110.1	K69 A75 E76 E77	K69-I73 WeakPolarHBondContact O-CG1 3.42Å; K69-I73 PolarHBondContact O-N 2.92Å; I73-A75 VanDerWaalsContact C-N 3.26Å; I73-A75 PolarHBondContact O-N 2.87Å; I73-E76 PolarHBondContact O-N 3.42Å; I73-E77 PolarHBondContact O-N 3.44Å
74	R	52.4	Low	56.8	Low	156 Å²	156	83.5 Å²	83.5	59%	0.589	42%	0.416	S	S	*	.	H	α-helix	trans	-61.5	-35.2	173.5	-76.2	180	177.9	169.4	-0	112.1	S70 Q71 S78	S70-R74 WeakPolarHBondContact O-CB 3.43Å; S70-R74 WeakPolarHBondContact O-CG 3.45Å; S70-R74 PolarHBondContact O-N 2.87Å; Q71-R74 PolarHBondContact O-N 2.97Å; R74-S78 VanDerWaalsContact O-CB 3.26Å; R74-S78 WeakPolarHBondContact O-CB 3.26Å; R74-S78 PolarHBondContact O-N 2.89Å
75	A	49.8	Very low	58	Low	44 Å²	44	82.8 Å²	82.8	36%	0.364	41%	0.413	S	S	.	.	H	α-helix	trans	-65.3	-45.8	176.3	0	0	0	0	0	111.7	Q71 N72 I73 E77 S78 V79	Q71-A75 WeakPolarHBondContact O-CB 3.4Å; Q71-A75 PolarHBondContact O-N 3.32Å; N72-A75 WeakPolarHBondContact O-CB 3.42Å; N72-A75 PolarHBondContact O-N 3.33Å; I73-A75 VanDerWaalsContact C-N 3.26Å; I73-A75 PolarHBondContact O-N 2.87Å; A75-E77 PolarHBondContact O-N 2.86Å; A75-S78 PolarHBondContact O-N 3.23Å; A75-S78 PolarHBondContact O-OG 3.04Å; A75-V79 PolarHBondContact O-N 2.8Å
76	E	53.7	Low	59.6	Low	153 Å²	153	78.7 Å²	78.7	72%	0.715	39%	0.391	S	S	*	.	H	α-helix	trans	-63.7	-38.5	176.2	-74.3	-172.9	173	0	0	112.7	N72 I73	N72-E76 PolarHBondContact O-N 3.06Å; I73-E76 PolarHBondContact O-N 3.42Å
77	E	58.4	Low	61.3	Low	109 Å²	109	76.6 Å²	76.6	51%	0.509	38%	0.38	S	S	.	.	H	α-helix	trans	-69.5	-35.3	175.1	-71.3	-179.5	167.2	0	0	112.1	I73 A75 V79 K80 Q81	I73-E77 PolarHBondContact O-N 3.44Å; A75-E77 PolarHBondContact O-N 2.86Å; E77-V79 PolarHBondContact O-N 3.36Å; E77-K80 PolarHBondContact O-N 2.96Å; E77-Q81 PolarHBondContact O-N 3.22Å
78	S	61.2	Low	62.8	Low	20 Å²	20	77.7 Å²	77.7	14%	0.14	39%	0.385	C	S	.	.	H	α-helix	trans	-61.5	-27.7	-179.9	79.3	0	0	0	0	113.4	R74 A75 K80 Q81 R163	R74-S78 VanDerWaalsContact O-CB 3.26Å; R74-S78 WeakPolarHBondContact O-CB 3.26Å; R74-S78 PolarHBondContact O-N 2.89Å; A75-S78 PolarHBondContact O-N 3.23Å; A75-S78 PolarHBondContact O-OG 3.04Å; S78-K80 PolarHBondContact O-N 3.05Å; S78-Q81 PolarHBondContact O-N 3.11Å; S78-R163 PolarHBondContact O-NH1 3.45Å; S78-R163 PolarHBondContact O-NH2 3.32Å
79	V	64.8	Low	64.6	Low	59 Å²	59	78.5 Å²	78.5	36%	0.358	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-27.6	176.7	178.2	0	0	0	0	111.1	A75 E77 W166	A75-V79 PolarHBondContact O-N 2.8Å; E77-V79 PolarHBondContact O-N 3.36Å; V79-W166 HydrophobicContact CB-CZ2 4.38Å; V79-W166 HydrophobicContact CG1-CZ2 3.87Å
80	K	66.1	Low	66.6	Low	168 Å²	168	75.3 Å²	75.3	73%	0.73	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-8.2	-179.4	-63.6	-177.1	-177.4	177.1	0	114.1	E77 S78 R179	E77-K80 PolarHBondContact O-N 2.96Å; S78-K80 PolarHBondContact O-N 3.05Å; K80-R179 VanDerWaalsContact C-NH2 3.33Å; K80-R179 PolarHBondContact O-NH2 3.35Å
81	Q	72	Confident	68.8	Low	35 Å²	35	73 Å²	73	16%	0.164	36%	0.356	C	S	.	.	S	Bend	trans	-88.1	143.4	-175.6	-71.9	176.1	-8.4	0	0	113.4	E77 S78 E85 W86 N89 R163 R179	E77-Q81 PolarHBondContact O-N 3.22Å; S78-Q81 PolarHBondContact O-N 3.11Å; Q81-E85 WeakPolarHBondContact CA-OE2 3.47Å; Q81-E85 HydrophobicContact CB-CB 4.12Å; Q81-E85 HydrophobicContact CG-CB 4.42Å; Q81-W86 HydrophobicContact CB-CB 4.01Å; Q81-N89 PolarHBondContact NE2-ND2 3.46Å; Q81-R163 PolarHBondContact O-NH2 3.14Å; Q81-R179 PolarHBondContact O-NH2 3.03Å
82	S	76.7	Confident	71	Confident	12 Å²	12	67.8 Å²	67.8	8%	0.084	33%	0.331	C	S	.	.			trans	-69.2	161.4	178.9	49.4	0	0	0	0	107	N84 E85 W86 R179	S82-N84 PolarHBondContact O-N 3.28Å; S82-N84 VanDerWaalsContact O-N 3.15Å; S82-E85 PolarHBondContact N-OE2 3.36Å; S82-E85 PolarHBondContact O-N 3Å; S82-E85 WeakPolarHBondContact OG-CB 3.37Å; S82-E85 WeakPolarHBondContact OG-CG 3.13Å; S82-E85 PolarHBondContact OG-N 3.41Å; S82-E85 PolarHBondContact OG-OE1 3.34Å; S82-W86 WeakPolarHBondContact O-CA 3.1Å; S82-W86 WeakPolarHBondContact O-CB 3.28Å; S82-W86 PolarHBondContact O-N 3.5Å; S82-R179 VanDerWaalsContact CA-NH1 3.35Å; S82-R179 VanDerWaalsContact CA-NH2 3.25Å; S82-R179 VanDerWaalsContact CB-NH1 3.26Å
83	T	83.9	Confident	73.1	Confident	1 Å²	1	71.4 Å²	71.4	1%	0.006	34%	0.342	C	S	.	.	H	α-helix	trans	-53.3	-36	167.6	-60.7	0	0	0	0	110.9	L87 E358 R361 L362	T83-L87 HydrophobicContact CG2-CD1 3.97Å; T83-L87 HydrophobicContact CG2-CG 4.36Å; T83-L87 VanDerWaalsContact O-CB 3.25Å; T83-L87 WeakPolarHBondContact O-CB 3.47Å; T83-L87 WeakPolarHBondContact O-CG 3.39Å; T83-L87 PolarHBondContact O-N 3.14Å; T83-E358 WeakPolarHBondContact CG2-O 3.45Å; T83-R361 HydrophobicContact CG2-CB 4.34Å; T83-L362 HydrophobicContact CG2-CD1 4.05Å; T83-L362 HydrophobicContact CG2-CD2 3.82Å; T83-L362 HydrophobicContact CG2-CG 3.58Å
84	N	82.8	Confident	75.2	Confident	67 Å²	67	68.6 Å²	68.6	36%	0.358	33%	0.334	S	S	.	.	H	α-helix	trans	-67.4	-52.8	175.2	-69	-10.6	0	0	0	113.3	S82 W86 L87 E88 R361	S82-N84 PolarHBondContact O-N 3.28Å; S82-N84 VanDerWaalsContact O-N 3.15Å; N84-W86 PolarHBondContact O-N 3.28Å; N84-L87 CarbonylContact O-C 3.58Å; N84-L87 PolarHBondContact O-N 3.4Å; N84-L87 VanDerWaalsContact O-N 3.12Å; N84-E88 WeakPolarHBondContact O-CG 3.45Å; N84-E88 PolarHBondContact O-N 2.97Å; N84-R361 WeakPolarHBondContact OD1-CD 3.33Å; N84-R361 PolarHBondContact OD1-NE 2.87Å
85	E	83	Confident	76.7	Confident	68 Å²	68	64.1 Å²	64.1	32%	0.318	32%	0.319	S	S	.	.	H	α-helix	trans	-62.9	-32.2	177.6	-71	149.1	-135.1	0	0	112.2	Q81 S82 E88 N89 R179	Q81-E85 WeakPolarHBondContact CA-OE2 3.47Å; Q81-E85 HydrophobicContact CB-CB 4.12Å; Q81-E85 HydrophobicContact CG-CB 4.42Å; S82-E85 PolarHBondContact N-OE2 3.36Å; S82-E85 PolarHBondContact O-N 3Å; S82-E85 WeakPolarHBondContact OG-CB 3.37Å; S82-E85 WeakPolarHBondContact OG-CG 3.13Å; S82-E85 PolarHBondContact OG-N 3.41Å; S82-E85 PolarHBondContact OG-OE1 3.34Å; E85-E88 WeakPolarHBondContact O-CB 3.46Å; E85-E88 PolarHBondContact O-N 2.92Å; E85-N89 PolarHBondContact O-ND2 3.47Å; E85-R179 IonicContact OE1-CZ 2.64Å; E85-R179 IonicContact OE1-NH1 2.83Å; E85-R179 PolarHBondContact OE1-NH1 3.47Å; E85-R179 IonicContact OE2-CZ 3.43Å; E85-R179 IonicContact OE2-NH1 3.61Å; E85-R179 PolarHBondContact OE2-NH1 2.98Å
86	W	86.2	Confident	78.5	Confident	11 Å²	11	71 Å²	71	4%	0.042	34%	0.335	C	S	.	.	H	α-helix	trans	-71.2	-42.2	175.6	-172.4	88.5	0	0	0	109.6	Q81 S82 N84 E88 N89 Y90 T159 Y160 R163 L362	Q81-W86 HydrophobicContact CB-CB 4.01Å; S82-W86 WeakPolarHBondContact O-CA 3.1Å; S82-W86 WeakPolarHBondContact O-CB 3.28Å; S82-W86 PolarHBondContact O-N 3.5Å; N84-W86 PolarHBondContact O-N 3.28Å; W86-E88 VanDerWaalsContact C-N 3.25Å; W86-E88 PolarHBondContact O-N 2.82Å; W86-N89 PolarHBondContact O-N 3.33Å; W86-Y90 AromaticContact CD1-CD2 3.68Å; W86-Y90 AromaticContact CD1-CE2 3.82Å; W86-Y90 AromaticContact CD2-CD2 3.71Å; W86-Y90 HydrophobicContact CD2-CD2 3.71Å; W86-Y90 HydrophobicContact CD2-CG 4.13Å; W86-Y90 AromaticContact CE2-CD2 3.34Å; W86-Y90 AromaticContact CE2-CE2 3.91Å; W86-Y90 AromaticContact CE2-CG 3.65Å; W86-Y90 HydrophobicContact CE3-CD2 4.4Å; W86-Y90 HydrophobicContact CE3-CG 4.46Å; W86-Y90 AromaticContact CG-CD2 3.91Å; W86-Y90 HydrophobicContact CG-CD2 3.91Å; W86-Y90 HydrophobicContact CG-CE2 4.48Å; W86-Y90 HydrophobicContact CH2-CD1 4.5Å; W86-Y90 HydrophobicContact CH2-CD2 4.45Å; W86-Y90 AromaticContact CH2-CG 3.94Å; W86-Y90 HydrophobicContact CH2-CG 3.94Å; W86-Y90 HydrophobicContact CZ2-CD1 4.02Å; W86-Y90 AromaticContact CZ2-CD2 3.77Å; W86-Y90 HydrophobicContact CZ2-CD2 3.77Å; W86-Y90 HydrophobicContact CZ2-CE2 4.42Å; W86-Y90 AromaticContact CZ2-CG 3.56Å; W86-Y90 HydrophobicContact CZ2-CG 3.56Å; W86-Y90 HydrophobicContact CZ3-CG 4.37Å; W86-Y90 AromaticContact NE1-CD2 3.33Å; W86-Y90 VanDerWaalsContact NE1-CD2 3.33Å; W86-Y90 AromaticContact NE1-CE2 3.44Å; W86-Y90 WeakPolarHBondContact O-CB 3.33Å; W86-Y90 VanDerWaalsContact O-CD2 3.32Å; W86-Y90 WeakPolarHBondContact O-CD2 3.47Å; W86-Y90 PolarHBondContact O-N 3Å; W86-T159 HydrophobicContact CH2-CG2 3.54Å; W86-T159 HydrophobicContact CZ2-CG2 3.57Å; W86-Y160 AromaticContact CH2-CD1 3.74Å; W86-Y160 HydrophobicContact CH2-CD1 3.74Å; W86-Y160 HydrophobicContact CH2-CE1 4.06Å; W86-Y160 AromaticContact CZ3-CD1 3.55Å; W86-Y160 HydrophobicContact CZ3-CD1 3.55Å; W86-Y160 AromaticContact CZ3-CE1 3.77Å; W86-Y160 HydrophobicContact CZ3-CE1 3.77Å; W86-R163 HydrophobicContact CD2-CG 4.32Å; W86-R163 HydrophobicContact CE3-CG 4.31Å; W86-R163 HydrophobicContact CH2-CB 4.15Å; W86-R163 HydrophobicContact CH2-CG 4.46Å; W86-R163 HydrophobicContact CZ2-CB 4.3Å; W86-R163 HydrophobicContact CZ2-CG 4.46Å; W86-R163 HydrophobicContact CZ3-CB 4.41Å; W86-R163 HydrophobicContact CZ3-CG 4.38Å; W86-L362 HydrophobicContact CE3-CD2 4.3Å; W86-L362 HydrophobicContact CZ3-CD2 4.04Å
87	L	87.1	Confident	80.1	Confident	20 Å²	20	64.3 Å²	64.3	11%	0.105	30%	0.304	C	S	.	.	H	α-helix	trans	-65.5	-24.1	171.9	-74.2	173	0	0	0	113.2	T83 N84 N89 G91 Y160 R361 L362 E365	T83-L87 HydrophobicContact CG2-CD1 3.97Å; T83-L87 HydrophobicContact CG2-CG 4.36Å; T83-L87 VanDerWaalsContact O-CB 3.25Å; T83-L87 WeakPolarHBondContact O-CB 3.47Å; T83-L87 WeakPolarHBondContact O-CG 3.39Å; T83-L87 PolarHBondContact O-N 3.14Å; N84-L87 CarbonylContact O-C 3.58Å; N84-L87 PolarHBondContact O-N 3.4Å; N84-L87 VanDerWaalsContact O-N 3.12Å; L87-N89 PolarHBondContact O-N 3.23Å; L87-G91 WeakPolarHBondContact O-CA 3.36Å; L87-G91 PolarHBondContact O-N 3.46Å; L87-Y160 HydrophobicContact CD2-CD1 4.45Å; L87-Y160 HydrophobicContact CD2-CE1 4.02Å; L87-R361 HydrophobicContact CD1-CB 4.43Å; L87-L362 HydrophobicContact CD1-CD2 4.46Å; L87-L362 HydrophobicContact CD2-CD2 4.06Å; L87-L362 HydrophobicContact CG-CD2 4.33Å; L87-E365 HydrophobicContact CD1-CG 3.9Å; L87-E365 HydrophobicContact CD2-CB 4.37Å; L87-E365 HydrophobicContact CD2-CG 3.7Å; L87-E365 HydrophobicContact CG-CG 4.43Å
88	E	84.6	Confident	81.4	Confident	142 Å²	142	60.2 Å²	60.2	66%	0.664	29%	0.287	S	S	*	.	H	α-helix	trans	-64.1	-23.5	170	-71.1	172.9	-179.5	0	0	112.9	N84 E85 W86 A94	N84-E88 WeakPolarHBondContact O-CG 3.45Å; N84-E88 PolarHBondContact O-N 2.97Å; E85-E88 WeakPolarHBondContact O-CB 3.46Å; E85-E88 PolarHBondContact O-N 2.92Å; W86-E88 VanDerWaalsContact C-N 3.25Å; W86-E88 PolarHBondContact O-N 2.82Å; E88-A94 WeakPolarHBondContact O-CB 3.39Å
89	N	83	Confident	82.4	Confident	91 Å²	91	62.8 Å²	62.8	49%	0.487	30%	0.299	S	S	.	.	H	α-helix	trans	-103.6	-33.3	177.7	-65.8	-54.6	0	0	0	113.1	Q81 E85 W86 L87 A94	Q81-N89 PolarHBondContact NE2-ND2 3.46Å; E85-N89 PolarHBondContact O-ND2 3.47Å; W86-N89 PolarHBondContact O-N 3.33Å; L87-N89 PolarHBondContact O-N 3.23Å; N89-A94 WeakPolarHBondContact O-CB 3.17Å
90	Y	85	Confident	83.2	Confident	57 Å²	57	64.4 Å²	64.4	22%	0.224	31%	0.305	C	S	.	.	H	α-helix	trans	-117.3	-9.2	-171.1	-65	-86.1	0	0	0	113.9	W86 T159 Y160	W86-Y90 AromaticContact CD1-CD2 3.68Å; W86-Y90 AromaticContact CD1-CE2 3.82Å; W86-Y90 AromaticContact CD2-CD2 3.71Å; W86-Y90 HydrophobicContact CD2-CD2 3.71Å; W86-Y90 HydrophobicContact CD2-CG 4.13Å; W86-Y90 AromaticContact CE2-CD2 3.34Å; W86-Y90 AromaticContact CE2-CE2 3.91Å; W86-Y90 AromaticContact CE2-CG 3.65Å; W86-Y90 HydrophobicContact CE3-CD2 4.4Å; W86-Y90 HydrophobicContact CE3-CG 4.46Å; W86-Y90 AromaticContact CG-CD2 3.91Å; W86-Y90 HydrophobicContact CG-CD2 3.91Å; W86-Y90 HydrophobicContact CG-CE2 4.48Å; W86-Y90 HydrophobicContact CH2-CD1 4.5Å; W86-Y90 HydrophobicContact CH2-CD2 4.45Å; W86-Y90 AromaticContact CH2-CG 3.94Å; W86-Y90 HydrophobicContact CH2-CG 3.94Å; W86-Y90 HydrophobicContact CZ2-CD1 4.02Å; W86-Y90 AromaticContact CZ2-CD2 3.77Å; W86-Y90 HydrophobicContact CZ2-CD2 3.77Å; W86-Y90 HydrophobicContact CZ2-CE2 4.42Å; W86-Y90 AromaticContact CZ2-CG 3.56Å; W86-Y90 HydrophobicContact CZ2-CG 3.56Å; W86-Y90 HydrophobicContact CZ3-CG 4.37Å; W86-Y90 AromaticContact NE1-CD2 3.33Å; W86-Y90 VanDerWaalsContact NE1-CD2 3.33Å; W86-Y90 AromaticContact NE1-CE2 3.44Å; W86-Y90 WeakPolarHBondContact O-CB 3.33Å; W86-Y90 VanDerWaalsContact O-CD2 3.32Å; W86-Y90 WeakPolarHBondContact O-CD2 3.47Å; W86-Y90 PolarHBondContact O-N 3Å; Y90-T159 HydrophobicContact CD1-CG2 4.29Å; Y90-Y160 WeakPolarHBondContact O-CE1 3.4Å; Y90-Y160 PolarHBondContact O-OH 2.78Å
91	G	86.5	Confident	84	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.01	28%	0.283	C	S	.	.	S	Bend	trans	-66.9	166.1	177.7	0	0	0	0	0	112.4	L87 K93 A94 K95 Y160	L87-G91 WeakPolarHBondContact O-CA 3.36Å; L87-G91 PolarHBondContact O-N 3.46Å; G91-K93 VanDerWaalsContact C-N 3.28Å; G91-K93 PolarHBondContact O-N 3.42Å; G91-A94 WeakPolarHBondContact O-CB 3.08Å; G91-A94 PolarHBondContact O-N 3.11Å; G91-K95 PolarHBondContact O-N 3.42Å; G91-Y160 VanDerWaalsContact C-OH 3.28Å; G91-Y160 VanDerWaalsContact CA-OH 3.29Å; G91-Y160 WeakPolarHBondContact CA-OH 3.37Å
92	L	88.3	Confident	84.4	Confident	7 Å²	7	57 Å²	57	4%	0.037	28%	0.275	C	S	.	.	H	α-helix	trans	-59.7	-39.9	-175	-67.8	171.3	0	0	0	112.2	A94 K95 R96 L97 T98 L153 Y160 E365 D368 A369	L92-A94 VanDerWaalsContact C-N 3.33Å; L92-A94 PolarHBondContact O-N 3.18Å; L92-K95 PolarHBondContact O-N 3.44Å; L92-R96 PolarHBondContact O-N 3.1Å; L92-R96 VanDerWaalsContact O-N 3.09Å; L92-L97 HydrophobicContact CD2-CB 3.91Å; L92-L97 PolarHBondContact O-N 2.78Å; L92-T98 HydrophobicContact CB-CG2 4.17Å; L92-L153 HydrophobicContact CD2-CD2 3.82Å; L92-Y160 PolarHBondContact N-OH 3.44Å; L92-E365 WeakPolarHBondContact CG-OE2 3.42Å; L92-E365 PolarHBondContact N-OE2 3.45Å; L92-D368 HydrophobicContact CD1-CB 4.02Å; L92-A369 HydrophobicContact CD1-CB 3.95Å; L92-A369 HydrophobicContact CD2-CB 3.95Å; L92-A369 HydrophobicContact CG-CB 4.48Å
93	K	87.8	Confident	84.4	Confident	178 Å²	178	57.9 Å²	57.9	77%	0.774	28%	0.278	S	S	*	.	H	α-helix	trans	-60.9	-39.8	174.7	-72.9	-179.2	179.9	-173.2	0	112.8	G91 R96 T98	G91-K93 VanDerWaalsContact C-N 3.28Å; G91-K93 PolarHBondContact O-N 3.42Å; K93-R96 PolarHBondContact O-N 3.35Å; K93-T98 HydrophobicContact CB-CG2 4.26Å; K93-T98 HydrophobicContact CG-CG2 3.62Å
94	A	86	Confident	84.1	Confident	41 Å²	41	61.8 Å²	61.8	34%	0.339	31%	0.311	S	S	.	.	H	α-helix	trans	-70.8	-41.4	-178.6	0	0	0	0	0	111.7	E88 N89 G91 L92 R96	E88-A94 WeakPolarHBondContact O-CB 3.39Å; N89-A94 WeakPolarHBondContact O-CB 3.17Å; G91-A94 WeakPolarHBondContact O-CB 3.08Å; G91-A94 PolarHBondContact O-N 3.11Å; L92-A94 VanDerWaalsContact C-N 3.33Å; L92-A94 PolarHBondContact O-N 3.18Å; A94-R96 VanDerWaalsContact C-N 3.25Å; A94-R96 PolarHBondContact O-N 3.13Å
95	K	84.5	Confident	83.7	Confident	62 Å²	62	61.2 Å²	61.2	27%	0.27	31%	0.307	S	S	.	.	H	α-helix	trans	-79.2	-1.8	177.6	-74.5	-169.2	169.8	-164.5	0	114.2	G91 L92 L97 E155 S156	G91-K95 PolarHBondContact O-N 3.42Å; L92-K95 PolarHBondContact O-N 3.44Å; K95-L97 VanDerWaalsContact C-N 3.32Å; K95-L97 HydrophobicContact CB-CD1 3.77Å; K95-L97 HydrophobicContact CB-CG 3.95Å; K95-L97 HydrophobicContact CD-CD1 4.11Å; K95-E155 IonicContact NZ-OE1 3.83Å; K95-S156 WeakPolarHBondContact CD-OG 3.43Å; K95-S156 PolarHBondContact NZ-OG 2.95Å
96	R	86.4	Confident	83	Confident	188 Å²	188	58.7 Å²	58.7	71%	0.709	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	43.5	-173.8	-56.8	-177.7	-178.5	-174.7	-2	113	L92 K93 A94 D101 F149	L92-R96 PolarHBondContact O-N 3.1Å; L92-R96 VanDerWaalsContact O-N 3.09Å; K93-R96 PolarHBondContact O-N 3.35Å; A94-R96 VanDerWaalsContact C-N 3.25Å; A94-R96 PolarHBondContact O-N 3.13Å; R96-D101 VanDerWaalsContact C-CG 3.5Å; R96-D101 WeakPolarHBondContact CA-OD2 3.46Å; R96-D101 HydrophobicContact CB-CB 4.31Å; R96-D101 VanDerWaalsContact O-CB 3.29Å; R96-D101 WeakPolarHBondContact O-CB 3.36Å; R96-F149 WeakPolarHBondContact O-CE2 3.43Å
97	L	87.5	Confident	82.2	Confident	13 Å²	13	65.3 Å²	65.3	7%	0.068	33%	0.328	C	S	.	.			trans	-113.3	26.9	-179.5	-64.4	173.2	0	0	0	111.5	L92 K95 D101 F149 G152 L153 S156	L92-L97 HydrophobicContact CD2-CB 3.91Å; L92-L97 PolarHBondContact O-N 2.78Å; K95-L97 VanDerWaalsContact C-N 3.32Å; K95-L97 HydrophobicContact CB-CD1 3.77Å; K95-L97 HydrophobicContact CB-CG 3.95Å; K95-L97 HydrophobicContact CD-CD1 4.11Å; L97-D101 PolarHBondContact N-OD2 3.33Å; L97-F149 HydrophobicContact CB-CE2 4.46Å; L97-F149 HydrophobicContact CB-CZ 4.39Å; L97-F149 HydrophobicContact CD2-CD2 3.66Å; L97-F149 HydrophobicContact CD2-CE2 3.79Å; L97-F149 HydrophobicContact CD2-CG 4.1Å; L97-F149 HydrophobicContact CD2-CZ 4.28Å; L97-G152 VanDerWaalsContact CD1-C 3.42Å; L97-G152 VanDerWaalsContact CD1-O 3.28Å; L97-G152 WeakPolarHBondContact CD1-O 3.43Å; L97-L153 HydrophobicContact CB-CD2 3.95Å; L97-S156 VanDerWaalsContact CD1-OG 3.28Å; L97-S156 WeakPolarHBondContact CD1-OG 3.41Å
98	T	86.5	Confident	80.9	Confident	24 Å²	24	67.5 Å²	67.5	15%	0.147	34%	0.34	C	S	.	.	S	Bend	trans	-87.2	165.1	175.8	69.8	0	0	0	0	111.8	L92 K93 D100 D101 F102	L92-T98 HydrophobicContact CB-CG2 4.17Å; K93-T98 HydrophobicContact CB-CG2 4.26Å; K93-T98 HydrophobicContact CG-CG2 3.62Å; T98-D100 VanDerWaalsContact C-N 3.26Å; T98-D100 PolarHBondContact O-N 2.88Å; T98-D101 WeakPolarHBondContact CB-OD2 3.39Å; T98-D101 PolarHBondContact N-OD2 2.84Å; T98-D101 WeakPolarHBondContact O-CB 3.18Å; T98-D101 PolarHBondContact O-N 3.21Å; T98-D101 VanDerWaalsContact O-N 3.13Å; T98-D101 VanDerWaalsContact OG1-CG 3.27Å; T98-D101 PolarHBondContact OG1-N 3.46Å; T98-D101 PolarHBondContact OG1-OD2 3.11Å; T98-F102 PolarHBondContact O-N 3.24Å
99	L	81.6	Confident	79.7	Confident	73 Å²	73	62.1 Å²	62.1	38%	0.382	32%	0.317	S	S	.	.	H	α-helix	trans	-58.7	-38.1	174.5	-175.1	62.6	0	0	0	112.2	D101 F102 I103 V372 V375	L99-D101 VanDerWaalsContact C-N 3.34Å; L99-D101 PolarHBondContact O-N 3.11Å; L99-F102 WeakPolarHBondContact O-CB 3.37Å; L99-F102 PolarHBondContact O-N 2.76Å; L99-I103 HydrophobicContact CG-CD1 4.11Å; L99-I103 VanDerWaalsContact O-CG1 3.3Å; L99-I103 WeakPolarHBondContact O-CG1 3.25Å; L99-I103 PolarHBondContact O-N 3.4Å; L99-V372 HydrophobicContact CB-CG2 4.33Å; L99-V375 HydrophobicContact CD1-CB 4.27Å; L99-V375 HydrophobicContact CD1-CG1 3.78Å; L99-V375 HydrophobicContact CD1-CG2 4.44Å
100	D	80.9	Confident	78.4	Confident	93 Å²	93	65 Å²	65	50%	0.497	33%	0.332	S	S	.	.	H	α-helix	trans	-64.1	-39.3	176	-71	-48.8	0	0	0	111.5	T98 F102 I103 A104 K132	T98-D100 VanDerWaalsContact C-N 3.26Å; T98-D100 PolarHBondContact O-N 2.88Å; D100-F102 VanDerWaalsContact C-N 3.32Å; D100-I103 PolarHBondContact O-N 3.41Å; D100-A104 WeakPolarHBondContact O-CB 3.49Å; D100-A104 PolarHBondContact O-N 2.77Å; D100-K132 WeakPolarHBondContact OD1-CE 3.25Å; D100-K132 IonicContact OD1-NZ 2.91Å; D100-K132 PolarHBondContact OD1-NZ 3.38Å
101	D	83.2	Confident	77	Confident	47 Å²	47	64.5 Å²	64.5	25%	0.251	34%	0.344	S	S	.	.	H	α-helix	trans	-66.3	-37.5	175.2	-60	-60.5	0	0	0	111.4	R96 L97 T98 L99 A104 M105 F149	R96-D101 VanDerWaalsContact C-CG 3.5Å; R96-D101 WeakPolarHBondContact CA-OD2 3.46Å; R96-D101 HydrophobicContact CB-CB 4.31Å; R96-D101 VanDerWaalsContact O-CB 3.29Å; R96-D101 WeakPolarHBondContact O-CB 3.36Å; L97-D101 PolarHBondContact N-OD2 3.33Å; T98-D101 WeakPolarHBondContact CB-OD2 3.39Å; T98-D101 PolarHBondContact N-OD2 2.84Å; T98-D101 WeakPolarHBondContact O-CB 3.18Å; T98-D101 PolarHBondContact O-N 3.21Å; T98-D101 VanDerWaalsContact O-N 3.13Å; T98-D101 VanDerWaalsContact OG1-CG 3.27Å; T98-D101 PolarHBondContact OG1-N 3.46Å; T98-D101 PolarHBondContact OG1-OD2 3.11Å; L99-D101 VanDerWaalsContact C-N 3.34Å; L99-D101 PolarHBondContact O-N 3.11Å; D101-A104 PolarHBondContact O-N 3.48Å; D101-M105 PolarHBondContact O-N 2.93Å; D101-F149 HydrophobicContact CB-CE2 4.39Å
102	F	81.8	Confident	75.4	Confident	1 Å²	1	65.2 Å²	65.2	0%	0.004	35%	0.349	C	S	.	.	H	α-helix	trans	-63.3	-50.1	174.5	-169	-122.9	0	0	0	110.8	T98 L99 D100 A104 M105 Y141 V146 F149 V376 L379	T98-F102 PolarHBondContact O-N 3.24Å; L99-F102 WeakPolarHBondContact O-CB 3.37Å; L99-F102 PolarHBondContact O-N 2.76Å; D100-F102 VanDerWaalsContact C-N 3.32Å; F102-A104 VanDerWaalsContact C-N 3.27Å; F102-A104 PolarHBondContact O-N 3.27Å; F102-M105 HydrophobicContact CD2-CE 3.52Å; F102-M105 HydrophobicContact CE2-CE 4.13Å; F102-M105 WeakPolarHBondContact O-CB 3.38Å; F102-M105 PolarHBondContact O-N 3.06Å; F102-Y141 HydrophobicContact CZ-CE1 4.46Å; F102-Y141 VanDerWaalsContact O-CE1 3.26Å; F102-Y141 WeakPolarHBondContact O-CE1 3.45Å; F102-V146 HydrophobicContact CE2-CG2 4.34Å; F102-F149 HydrophobicContact CB-CE1 3.86Å; F102-F149 HydrophobicContact CB-CE2 4.23Å; F102-F149 HydrophobicContact CB-CZ 3.62Å; F102-F149 AromaticContact CD2-CD1 3.64Å; F102-F149 HydrophobicContact CD2-CD1 3.64Å; F102-F149 HydrophobicContact CD2-CD2 4.36Å; F102-F149 AromaticContact CD2-CE1 3.67Å; F102-F149 HydrophobicContact CD2-CE1 3.67Å; F102-F149 HydrophobicContact CD2-CE2 4.37Å; F102-F149 AromaticContact CD2-CG 3.99Å; F102-F149 HydrophobicContact CD2-CG 3.99Å; F102-F149 HydrophobicContact CD2-CZ 4.06Å; F102-F149 HydrophobicContact CE2-CD1 4.17Å; F102-F149 HydrophobicContact CG-CD1 4.38Å; F102-F149 AromaticContact CG-CE1 3.97Å; F102-F149 HydrophobicContact CG-CE1 3.97Å; F102-F149 HydrophobicContact CG-CZ 4.2Å; F102-V376 HydrophobicContact CD1-CG2 4.02Å; F102-V376 HydrophobicContact CD2-CG2 4.04Å; F102-V376 HydrophobicContact CE1-CB 4.44Å; F102-V376 HydrophobicContact CE1-CG2 3.72Å; F102-V376 HydrophobicContact CE2-CG1 4.46Å; F102-V376 HydrophobicContact CE2-CG2 3.84Å; F102-V376 HydrophobicContact CG-CG2 4.17Å; F102-V376 HydrophobicContact CZ-CB 4.27Å; F102-V376 HydrophobicContact CZ-CG1 4.23Å; F102-V376 HydrophobicContact CZ-CG2 3.68Å; F102-L379 HydrophobicContact CD1-CD1 4.17Å; F102-L379 HydrophobicContact CE1-CB 4.27Å; F102-L379 HydrophobicContact CE1-CD1 3.34Å; F102-L379 HydrophobicContact CE1-CG 4.42Å; F102-L379 HydrophobicContact CZ-CB 4.43Å; F102-L379 HydrophobicContact CZ-CD1 4.12Å
103	I	76.3	Confident	73.6	Confident	30 Å²	30	70.1 Å²	70.1	15%	0.154	37%	0.373	C	S	.	.	H	α-helix	trans	-56.8	-42.4	176.2	-66.9	165.7	0	0	0	110.8	L99 D100 M105 G106 L139	L99-I103 HydrophobicContact CG-CD1 4.11Å; L99-I103 VanDerWaalsContact O-CG1 3.3Å; L99-I103 WeakPolarHBondContact O-CG1 3.25Å; L99-I103 PolarHBondContact O-N 3.4Å; D100-I103 PolarHBondContact O-N 3.41Å; I103-M105 PolarHBondContact O-N 2.97Å; I103-G106 PolarHBondContact O-N 3.32Å; I103-L139 HydrophobicContact CG2-CD1 3.95Å
104	A	77.6	Confident	72.1	Confident	83 Å²	83	68.6 Å²	68.6	69%	0.686	37%	0.368	S	S	*	.	H	α-helix	trans	-65.8	-19.4	179.1	0	0	0	0	0	114.6	D100 D101 F102 G106	D100-A104 WeakPolarHBondContact O-CB 3.49Å; D100-A104 PolarHBondContact O-N 2.77Å; D101-A104 PolarHBondContact O-N 3.48Å; F102-A104 VanDerWaalsContact C-N 3.27Å; F102-A104 PolarHBondContact O-N 3.27Å; A104-G106 VanDerWaalsContact C-N 3.3Å
105	M	73.9	Confident	70.5	Confident	55 Å²	55	73.2 Å²	73.2	27%	0.271	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-16.3	172.1	-73.3	-166.7	-66	0	0	113.4	D101 F102 I103 Y141 Q145 F149	D101-M105 PolarHBondContact O-N 2.93Å; F102-M105 HydrophobicContact CD2-CE 3.52Å; F102-M105 HydrophobicContact CE2-CE 4.13Å; F102-M105 WeakPolarHBondContact O-CB 3.38Å; F102-M105 PolarHBondContact O-N 3.06Å; I103-M105 PolarHBondContact O-N 2.97Å; M105-Y141 HydrophobicContact CB-CD1 4.39Å; M105-Y141 HydrophobicContact CB-CE1 4.41Å; M105-Q145 HydrophobicContact SD-CB 4.33Å; M105-F149 HydrophobicContact CE-CB 3.85Å; M105-F149 HydrophobicContact CE-CD1 4.46Å; M105-F149 HydrophobicContact CE-CD2 3.16Å; M105-F149 HydrophobicContact CE-CE2 3.71Å; M105-F149 HydrophobicContact CE-CG 3.6Å; M105-F149 HydrophobicContact SD-CD2 4.27Å
106	G	68.5	Low	68.9	Low	16 Å²	16	73 Å²	73	17%	0.165	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-73.3	135.2	179.7	0	0	0	0	0	112	I103 A104 Y141	I103-G106 PolarHBondContact O-N 3.32Å; A104-G106 VanDerWaalsContact C-N 3.3Å; G106-Y141 VanDerWaalsContact N-CE1 3.26Å
107	K	68.5	Low	67.3	Low	149 Å²	149	68.3 Å²	68.3	65%	0.648	38%	0.378	S	S	*	.	B	Isolated β-bridge	trans	-94.2	138.8	170.7	-68.8	-174.2	177.7	-175.4	0	109.9	P109 L139 E140	K107-P109 WeakPolarHBondContact O-CD 3.49Å; K107-L139 CarbonylContact O-C 3.57Å; K107-L139 WeakPolarHBondContact O-CA 3.44Å; K107-E140 HydrophobicContact CB-CB 4.42Å; K107-E140 PolarHBondContact N-O 2.97Å; K107-E140 PolarHBondContact O-N 3.45Å
108	I	61.4	Low	65.7	Low	67 Å²	67	71.5 Å²	71.5	34%	0.344	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-77	124.4	171.6	-57.1	168.1	0	0	0	107.3	V112 M113 L139	I108-V112 HydrophobicContact CG2-CB 4.31Å; I108-M113 HydrophobicContact CD1-CE 3.87Å; I108-M113 HydrophobicContact CG2-CG 4.04Å; I108-L139 HydrophobicContact CG1-CD2 3.8Å
109	P	58.8	Low	63.8	Low	28 Å²	28	76.2 Å²	76.2	18%	0.182	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-59	138.1	174.3	-16.8	24.9	0	0	0	109.9	K107 G111 V112 H138 E140	K107-P109 WeakPolarHBondContact O-CD 3.49Å; P109-G111 PolarHBondContact O-N 2.73Å; P109-V112 HydrophobicContact CB-CG2 4.15Å; P109-V112 HydrophobicContact CG-CG2 4.02Å; P109-V112 PolarHBondContact O-N 2.84Å; P109-H138 WeakPolarHBondContact CD-O 3.34Å; P109-H138 WeakPolarHBondContact CG-O 3.39Å; P109-E140 HydrophobicContact CG-CG 4.12Å
110	D	56	Low	62.1	Low	151 Å²	151	77.5 Å²	77.5	81%	0.807	45%	0.446	S	S	*	.	H	α-helix	trans	-55.4	-27.8	-176.7	-69.2	-33.3	0	0	0	112.6
111	G	54.2	Low	60.7	Low	47 Å²	47	80.5 Å²	80.5	49%	0.485	46%	0.462	S	S	.	.	H	α-helix	trans	-77.6	-24.7	178.3	0	0	0	0	0	115.9	P109 E114 E115	P109-G111 PolarHBondContact O-N 2.73Å; G111-E114 PolarHBondContact O-N 2.71Å; G111-E115 PolarHBondContact O-N 3.17Å
112	V	53.2	Low	59.3	Low	17 Å²	17	82 Å²	82	10%	0.103	47%	0.469	C	S	.	.	H	α-helix	trans	-77.9	-28.7	179.7	179.4	0	0	0	0	110.6	I108 P109 E114 E115 F116 H138	I108-V112 HydrophobicContact CG2-CB 4.31Å; P109-V112 HydrophobicContact CB-CG2 4.15Å; P109-V112 HydrophobicContact CG-CG2 4.02Å; P109-V112 PolarHBondContact O-N 2.84Å; V112-E114 PolarHBondContact O-N 2.89Å; V112-E115 PolarHBondContact O-N 3.45Å; V112-F116 HydrophobicContact CG1-CD2 3.52Å; V112-F116 HydrophobicContact CG1-CE2 3.58Å; V112-F116 WeakPolarHBondContact O-CD2 3.45Å; V112-F116 PolarHBondContact O-N 3.22Å; V112-H138 HydrophobicContact CG1-CB 4.4Å
113	M	51.8	Low	58	Low	110 Å²	110	85.7 Å²	85.7	54%	0.542	49%	0.492	S	S	.	.	H	α-helix	trans	-60.3	-32.4	169.8	-82.1	-92.2	-177.7	0	0	112.3	I108 S117	I108-M113 HydrophobicContact CD1-CE 3.87Å; I108-M113 HydrophobicContact CG2-CG 4.04Å; M113-S117 WeakPolarHBondContact O-CB 3.32Å; M113-S117 PolarHBondContact O-N 3.1Å; M113-S117 PolarHBondContact O-OG 3.09Å
114	E	54.7	Low	56.7	Low	146 Å²	146	90.3 Å²	90.3	68%	0.682	52%	0.516	S	S	*	.	H	α-helix	trans	-74	-36.9	176.9	-71.8	-171.8	166.4	0	0	112.5	G111 V112 S117 A118	G111-E114 PolarHBondContact O-N 2.71Å; V112-E114 PolarHBondContact O-N 2.89Å; E114-S117 WeakPolarHBondContact CA-OG 3.33Å; E114-S117 PolarHBondContact O-OG 2.75Å; E114-S117 VanDerWaalsContact O-OG 3.07Å; E114-A118 PolarHBondContact O-N 3.14Å
115	E	52.2	Low	55.6	Low	137 Å²	137	92.1 Å²	92.1	64%	0.64	51%	0.514	S	S	*	.	H	α-helix	trans	-71.3	-39.7	176.1	-75.7	-173.2	156.5	0	0	113	G111 V112 A118	G111-E115 PolarHBondContact O-N 3.17Å; V112-E115 PolarHBondContact O-N 3.45Å; E115-A118 PolarHBondContact O-N 2.88Å
116	F	51.6	Low	55	Low	59 Å²	59	93.7 Å²	93.7	26%	0.259	52%	0.521	S	S	.	.	H	α-helix	trans	-75.5	-24.2	175.4	-81.3	-87.7	0	0	0	112.9	V112	V112-F116 HydrophobicContact CG1-CD2 3.52Å; V112-F116 HydrophobicContact CG1-CE2 3.58Å; V112-F116 WeakPolarHBondContact O-CD2 3.45Å; V112-F116 PolarHBondContact O-N 3.22Å
117	S	52.2	Low	54.3	Low	89 Å²	89	94.7 Å²	94.7	62%	0.622	52%	0.523	S	S	*	.	H	α-helix	trans	-78.8	-16.8	172.6	59.6	0	0	0	0	113.7	M113 E114	M113-S117 WeakPolarHBondContact O-CB 3.32Å; M113-S117 PolarHBondContact O-N 3.1Å; M113-S117 PolarHBondContact O-OG 3.09Å; E114-S117 WeakPolarHBondContact CA-OG 3.33Å; E114-S117 PolarHBondContact O-OG 2.75Å; E114-S117 VanDerWaalsContact O-OG 3.07Å
118	A	55.4	Low	53.6	Low	80 Å²	80	90.3 Å²	90.3	66%	0.661	51%	0.508	S	S	*	.	H	α-helix	trans	-76.4	-21.1	172.7	0	0	0	0	0	113.5	E114 E115	E114-A118 PolarHBondContact O-N 3.14Å; E115-A118 PolarHBondContact O-N 2.88Å
119	N	47	Very low	53.3	Low	122 Å²	122	91.5 Å²	91.5	65%	0.652	52%	0.515	S	S	*	.	S	Bend	trans	-102.8	88.4	173.4	-78.2	-26.9	0	0	0	110.2	D121	N119-D121 PolarHBondContact O-N 2.92Å
120	S	44	Very low	53	Low	101 Å²	101	94.3 Å²	94.3	71%	0.706	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	129.4	174.6	48.6	0	0	0	0	112.8
121	D	53.3	Low	52.9	Low	155 Å²	155	88.2 Å²	88.2	83%	0.829	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	115.7	10.4	161.7	-62.1	-17.1	0	0	0	119.3	N119	N119-D121 PolarHBondContact O-N 2.92Å
122	L	53	Low	52.9	Low	78 Å²	78	91.4 Å²	91.4	41%	0.408	49%	0.493	S	S	.	.			trans	-94.3	126.5	173.4	-78.3	151.6	0	0	0	113.3	Q126 I127	L122-Q126 HydrophobicContact CD2-CB 3.81Å; L122-I127 HydrophobicContact CB-CG1 4.17Å
123	T	54.6	Low	53.1	Low	79 Å²	79	99.1 Å²	99.1	49%	0.485	53%	0.525	S	S	.	.			trans	-78.1	151.9	173.7	53.6	0	0	0	0	111.9	N125 Q126 I127	T123-N125 PolarHBondContact O-N 2.98Å; T123-N125 VanDerWaalsContact O-N 3.1Å; T123-Q126 WeakPolarHBondContact O-CA 3.42Å; T123-Q126 WeakPolarHBondContact O-CB 3.3Å; T123-Q126 PolarHBondContact O-N 2.84Å; T123-Q126 VanDerWaalsContact OG1-CG 3.24Å; T123-Q126 WeakPolarHBondContact OG1-CG 3.17Å; T123-Q126 PolarHBondContact OG1-OE1 2.88Å; T123-I127 PolarHBondContact O-N 2.89Å
124	L	49.2	Very low	53.1	Low	127 Å²	127	99.1 Å²	99.1	67%	0.665	53%	0.527	S	S	*	.	H	α-helix	trans	-54.5	-33.9	-179.4	-161.5	120.8	0	0	0	113.3	I127 V128	L124-I127 PolarHBondContact O-N 2.82Å; L124-V128 VanDerWaalsContact O-CG2 3.32Å; L124-V128 WeakPolarHBondContact O-CG2 3.4Å; L124-V128 PolarHBondContact O-N 2.56Å
125	N	54.7	Low	52.7	Low	121 Å²	121	96.7 Å²	96.7	65%	0.647	51%	0.514	S	S	*	.	H	α-helix	trans	-69.7	-36.2	174.2	-68.8	-17.2	0	0	0	112.5	T123 V128 D129	T123-N125 PolarHBondContact O-N 2.98Å; T123-N125 VanDerWaalsContact O-N 3.1Å; N125-V128 PolarHBondContact O-N 2.69Å; N125-D129 WeakPolarHBondContact O-CB 3.33Å; N125-D129 PolarHBondContact O-N 2.81Å
126	Q	60.2	Low	52.8	Low	89 Å²	89	90.8 Å²	90.8	42%	0.416	49%	0.488	S	S	.	.	H	α-helix	trans	-69.3	-36.2	174.4	-73.2	165.3	-28.3	0	0	111.6	L122 T123 D129 E130	L122-Q126 HydrophobicContact CD2-CB 3.81Å; T123-Q126 WeakPolarHBondContact O-CA 3.42Å; T123-Q126 WeakPolarHBondContact O-CB 3.3Å; T123-Q126 PolarHBondContact O-N 2.84Å; T123-Q126 VanDerWaalsContact OG1-CG 3.24Å; T123-Q126 WeakPolarHBondContact OG1-CG 3.17Å; T123-Q126 PolarHBondContact OG1-OE1 2.88Å; Q126-D129 PolarHBondContact O-N 2.82Å; Q126-E130 WeakPolarHBondContact O-CB 3.38Å; Q126-E130 PolarHBondContact O-N 2.97Å
127	I	53.6	Low	52.8	Low	37 Å²	37	91.4 Å²	91.4	19%	0.19	50%	0.499	C	S	.	.	H	α-helix	trans	-62.9	-45	173.2	-65	172.2	0	0	0	110.1	L122 T123 L124 E130 F131	L122-I127 HydrophobicContact CB-CG1 4.17Å; T123-I127 PolarHBondContact O-N 2.89Å; L124-I127 PolarHBondContact O-N 2.82Å; I127-E130 PolarHBondContact O-N 3.22Å; I127-F131 HydrophobicContact CG2-CD2 3.67Å; I127-F131 HydrophobicContact CG2-CE2 3.27Å; I127-F131 HydrophobicContact CG2-CZ 4.22Å; I127-F131 WeakPolarHBondContact O-CD2 3.48Å; I127-F131 WeakPolarHBondContact O-CG 3.3Å; I127-F131 PolarHBondContact O-N 3.28Å
128	V	54.2	Low	52.9	Low	56 Å²	56	91 Å²	91	34%	0.339	49%	0.488	S	S	.	.	H	α-helix	trans	-66.3	-38	175.4	174	0	0	0	0	112	L124 N125 F131 K132	L124-V128 VanDerWaalsContact O-CG2 3.32Å; L124-V128 WeakPolarHBondContact O-CG2 3.4Å; L124-V128 PolarHBondContact O-N 2.56Å; N125-V128 PolarHBondContact O-N 2.69Å; V128-F131 CarbonylContact O-C 3.59Å; V128-F131 PolarHBondContact O-N 3.47Å; V128-K132 HydrophobicContact CG1-CD 4.47Å; V128-K132 WeakPolarHBondContact O-CG 3.35Å; V128-K132 PolarHBondContact O-N 3.06Å
129	D	56.2	Low	53.3	Low	92 Å²	92	88.1 Å²	88.1	49%	0.492	46%	0.461	S	S	.	.	H	α-helix	trans	-68.8	-32.9	175	-83.5	-15.3	0	0	0	112.4	N125 Q126 K132 K133	N125-D129 WeakPolarHBondContact O-CB 3.33Å; N125-D129 PolarHBondContact O-N 2.81Å; Q126-D129 PolarHBondContact O-N 2.82Å; D129-K132 PolarHBondContact O-N 2.98Å; D129-K133 PolarHBondContact O-N 2.83Å; D129-K133 VanDerWaalsContact O-N 3.11Å
130	E	52.7	Low	54.2	Low	87 Å²	87	88.2 Å²	88.2	41%	0.407	46%	0.457	S	S	.	.	H	α-helix	trans	-65.4	-43.8	168.3	-84.8	-152.3	143.2	0	0	111.2	Q126 I127 K132 K133 N134	Q126-E130 WeakPolarHBondContact O-CB 3.38Å; Q126-E130 PolarHBondContact O-N 2.97Å; I127-E130 PolarHBondContact O-N 3.22Å; E130-K132 PolarHBondContact O-N 2.68Å; E130-K133 PolarHBondContact O-N 3Å; E130-K133 VanDerWaalsContact O-N 3.12Å; E130-N134 PolarHBondContact O-N 3.19Å
131	F	53.8	Low	55.5	Low	23 Å²	23	84.4 Å²	84.4	10%	0.101	43%	0.428	C	S	.	.	H	α-helix	trans	-67	-17.9	173.4	-71.6	-51	0	0	0	114.1	I127 V128 N134 H138	I127-F131 HydrophobicContact CG2-CD2 3.67Å; I127-F131 HydrophobicContact CG2-CE2 3.27Å; I127-F131 HydrophobicContact CG2-CZ 4.22Å; I127-F131 WeakPolarHBondContact O-CD2 3.48Å; I127-F131 WeakPolarHBondContact O-CG 3.3Å; I127-F131 PolarHBondContact O-N 3.28Å; V128-F131 CarbonylContact O-C 3.59Å; V128-F131 PolarHBondContact O-N 3.47Å; F131-N134 CarbonylContact C-O 3.06Å; F131-H138 HydrophobicContact CE1-CB 3.76Å; F131-H138 AromaticContact CE1-CD2 3.97Å; F131-H138 HydrophobicContact CZ-CB 4.21Å
132	K	54.1	Low	56.3	Low	115 Å²	115	81 Å²	81	50%	0.5	41%	0.41	S	S	.	.	H	α-helix	trans	-84.3	-26	171.3	-78	179.3	175.7	-168	0	112.9	D100 V128 D129 E130	D100-K132 WeakPolarHBondContact OD1-CE 3.25Å; D100-K132 IonicContact OD1-NZ 2.91Å; D100-K132 PolarHBondContact OD1-NZ 3.38Å; V128-K132 HydrophobicContact CG1-CD 4.47Å; V128-K132 WeakPolarHBondContact O-CG 3.35Å; V128-K132 PolarHBondContact O-N 3.06Å; D129-K132 PolarHBondContact O-N 2.98Å; E130-K132 PolarHBondContact O-N 2.68Å
133	K	56.4	Low	57.3	Low	178 Å²	178	80.7 Å²	80.7	77%	0.774	41%	0.414	S	S	*	.	H	α-helix	trans	-89.1	-39	179.2	-79.9	179.1	178.2	174.4	0	112.6	D129 E130	D129-K133 PolarHBondContact O-N 2.83Å; D129-K133 VanDerWaalsContact O-N 3.11Å; E130-K133 PolarHBondContact O-N 3Å; E130-K133 VanDerWaalsContact O-N 3.12Å
134	N	51.4	Low	58.5	Low	110 Å²	110	84.3 Å²	84.3	59%	0.588	42%	0.423	S	S	*	.	S	Bend	trans	-109.1	133.4	176.9	-66.4	-21.2	0	0	0	107.9	E130 F131	E130-N134 PolarHBondContact O-N 3.19Å; F131-N134 CarbonylContact C-O 3.06Å
135	F	47.8	Very low	59.9	Low	96 Å²	96	82 Å²	82	42%	0.421	41%	0.409	S	S	.	.			trans	-43.7	136.6	-179	-123.2	-100.4	0	0	0	110.6	S137 V375 H378 L379	F135-S137 PolarHBondContact O-N 3.47Å; F135-V375 HydrophobicContact CE1-CG1 4.46Å; F135-V375 HydrophobicContact CZ-CG1 4.32Å; F135-H378 HydrophobicContact CE1-CB 4.2Å; F135-H378 HydrophobicContact CZ-CB 4.1Å; F135-L379 HydrophobicContact CE1-CG 4.33Å
136	P	53.7	Low	61.1	Low	12 Å²	12	76.5 Å²	76.5	8%	0.078	38%	0.38	C	S	.	.			trans	-76.7	57.5	-177.7	31.7	-34.4	0	0	0	111.3	H138 L139 L379	P136-H138 PolarHBondContact O-N 3.17Å; P136-L139 HydrophobicContact CB-CB 4.47Å; P136-L139 HydrophobicContact CB-CD1 3.75Å; P136-L139 HydrophobicContact CB-CG 4.16Å; P136-L139 PolarHBondContact O-N 3.28Å; P136-L379 HydrophobicContact CG-CD1 4.27Å
137	S	50.8	Low	62.2	Low	72 Å²	72	75 Å²	75	50%	0.503	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.1	174.3	53.6	0	0	0	0	112.4	F135	F135-S137 PolarHBondContact O-N 3.47Å
138	H	54.7	Low	63.6	Low	81 Å²	81	80 Å²	80	38%	0.375	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	3.9	178.2	-61	-79.8	0	0	0	114.3	P109 V112 F131 P136	P109-H138 WeakPolarHBondContact CD-O 3.34Å; P109-H138 WeakPolarHBondContact CG-O 3.39Å; V112-H138 HydrophobicContact CG1-CB 4.4Å; F131-H138 HydrophobicContact CE1-CB 3.76Å; F131-H138 AromaticContact CE1-CD2 3.97Å; F131-H138 HydrophobicContact CZ-CB 4.21Å; P136-H138 PolarHBondContact O-N 3.17Å
139	L	64.7	Low	65.1	Low	20 Å²	20	77.8 Å²	77.8	11%	0.105	38%	0.383	C	S	.	.			trans	-98.6	123.3	177.1	-71.4	177	0	0	0	111.1	I103 K107 I108 P136 Y141	I103-L139 HydrophobicContact CG2-CD1 3.95Å; K107-L139 CarbonylContact O-C 3.57Å; K107-L139 WeakPolarHBondContact O-CA 3.44Å; I108-L139 HydrophobicContact CG1-CD2 3.8Å; P136-L139 HydrophobicContact CB-CB 4.47Å; P136-L139 HydrophobicContact CB-CD1 3.75Å; P136-L139 HydrophobicContact CB-CG 4.16Å; P136-L139 PolarHBondContact O-N 3.28Å; L139-Y141 HydrophobicContact CB-CD2 4.44Å; L139-Y141 HydrophobicContact CB-CE2 3.69Å; L139-Y141 VanDerWaalsContact O-CD2 3.22Å; L139-Y141 WeakPolarHBondContact O-CD2 3.4Å; L139-Y141 WeakPolarHBondContact O-CE2 3.26Å
140	E	64.3	Low	66.5	Low	123 Å²	123	75.7 Å²	75.7	58%	0.575	37%	0.37	S	S	*	.	B	Isolated β-bridge	trans	-80.1	122.1	171.5	-89.1	-178.4	-168.7	0	0	111.2	K107 P109	K107-E140 HydrophobicContact CB-CB 4.42Å; K107-E140 PolarHBondContact N-O 2.97Å; K107-E140 PolarHBondContact O-N 3.45Å; P109-E140 HydrophobicContact CG-CG 4.12Å
141	Y	71.5	Confident	68	Low	21 Å²	21	75.6 Å²	75.6	8%	0.082	38%	0.378	C	S	.	.			trans	-109.1	147.6	176.9	-64.2	-83.4	0	0	0	111.9	F102 M105 G106 L139 V146 L379 M383	F102-Y141 HydrophobicContact CZ-CE1 4.46Å; F102-Y141 VanDerWaalsContact O-CE1 3.26Å; F102-Y141 WeakPolarHBondContact O-CE1 3.45Å; M105-Y141 HydrophobicContact CB-CD1 4.39Å; M105-Y141 HydrophobicContact CB-CE1 4.41Å; G106-Y141 VanDerWaalsContact N-CE1 3.26Å; L139-Y141 HydrophobicContact CB-CD2 4.44Å; L139-Y141 HydrophobicContact CB-CE2 3.69Å; L139-Y141 VanDerWaalsContact O-CD2 3.22Å; L139-Y141 WeakPolarHBondContact O-CD2 3.4Å; L139-Y141 WeakPolarHBondContact O-CE2 3.26Å; Y141-V146 HydrophobicContact CG-CG2 4.33Å; Y141-L379 HydrophobicContact CE2-CD1 4.02Å; Y141-L379 HydrophobicContact CE2-CD2 4.19Å; Y141-M383 HydrophobicContact CD2-SD 4.43Å; Y141-M383 HydrophobicContact CG-SD 4.46Å; Y141-M383 WeakPolarHBondContact O-CE 3.44Å
142	N	71.6	Confident	69.6	Low	84 Å²	84	75.1 Å²	75.1	45%	0.449	38%	0.379	S	S	.	.			trans	-83	122.7	170.8	-175.4	-30.5	0	0	0	110.2	K144 Q145 V146	N142-K144 PolarHBondContact O-N 3.45Å; N142-K144 VanDerWaalsContact O-N 3.08Å; N142-K144 PolarHBondContact OD1-N 3.12Å; N142-Q145 HydrophobicContact CB-CB 4.16Å; N142-Q145 HydrophobicContact CB-CG 3.95Å; N142-Q145 VanDerWaalsContact CB-OE1 3.26Å; N142-Q145 WeakPolarHBondContact O-CA 3.37Å; N142-Q145 WeakPolarHBondContact O-CB 3.43Å; N142-Q145 PolarHBondContact O-N 3.46Å; N142-V146 PolarHBondContact O-N 3.21Å
143	S	74	Confident	71.3	Confident	72 Å²	72	69.6 Å²	69.6	50%	0.503	36%	0.355	S	S	.	.	H	α-helix	trans	-51.3	-35.5	179.1	177.4	0	0	0	0	114.1	N147	S143-N147 WeakPolarHBondContact O-CB 3.4Å; S143-N147 PolarHBondContact O-N 3.19Å; S143-N147 PolarHBondContact O-ND2 3.39Å
144	K	78.1	Confident	72.8	Confident	155 Å²	155	66 Å²	66	67%	0.674	34%	0.341	S	S	*	.	H	α-helix	trans	-67.4	-37.4	175.2	-70.8	-174.1	-179.6	179.5	0	112.4	N142 Q148	N142-K144 PolarHBondContact O-N 3.45Å; N142-K144 VanDerWaalsContact O-N 3.08Å; N142-K144 PolarHBondContact OD1-N 3.12Å; K144-Q148 WeakPolarHBondContact O-CB 3.21Å; K144-Q148 VanDerWaalsContact O-CG 3.25Å; K144-Q148 WeakPolarHBondContact O-CG 3.29Å; K144-Q148 PolarHBondContact O-N 2.97Å
145	Q	78.5	Confident	74.5	Confident	79 Å²	79	66.4 Å²	66.4	37%	0.369	34%	0.339	S	S	.	.	H	α-helix	trans	-71.2	-40.8	178.7	-67.3	178.8	-48.2	0	0	110.8	M105 N142 Q148 F149	M105-Q145 HydrophobicContact SD-CB 4.33Å; N142-Q145 HydrophobicContact CB-CB 4.16Å; N142-Q145 HydrophobicContact CB-CG 3.95Å; N142-Q145 VanDerWaalsContact CB-OE1 3.26Å; N142-Q145 WeakPolarHBondContact O-CA 3.37Å; N142-Q145 WeakPolarHBondContact O-CB 3.43Å; N142-Q145 PolarHBondContact O-N 3.46Å; Q145-Q148 PolarHBondContact O-N 3.13Å; Q145-F149 WeakPolarHBondContact O-CB 3.36Å; Q145-F149 PolarHBondContact O-N 3.47Å
146	V	81.7	Confident	76.5	Confident	5 Å²	5	61.8 Å²	61.8	3%	0.03	32%	0.319	C	S	.	.	H	α-helix	trans	-61.4	-49.1	175.5	-179.9	0	0	0	0	111	F102 Y141 N142 Q148 F149 E150 V376 M383	F102-V146 HydrophobicContact CE2-CG2 4.34Å; Y141-V146 HydrophobicContact CG-CG2 4.33Å; N142-V146 PolarHBondContact O-N 3.21Å; V146-Q148 VanDerWaalsContact C-N 3.32Å; V146-Q148 PolarHBondContact O-N 3.27Å; V146-F149 WeakPolarHBondContact O-CB 3.38Å; V146-F149 PolarHBondContact O-N 2.92Å; V146-F149 VanDerWaalsContact O-N 3.16Å; V146-E150 WeakPolarHBondContact O-CB 3.49Å; V146-E150 PolarHBondContact O-N 3.2Å; V146-V376 HydrophobicContact CG1-CG1 3.93Å; V146-M383 HydrophobicContact CG2-CE 4.46Å; V146-M383 HydrophobicContact CG2-SD 3.91Å
147	N	81.8	Confident	78.2	Confident	56 Å²	56	62.7 Å²	62.7	30%	0.299	32%	0.323	S	S	.	.	H	α-helix	trans	-61.9	-37.3	176.9	-74.3	-43.5	0	0	0	112.4	S143 C151 R380	S143-N147 WeakPolarHBondContact O-CB 3.4Å; S143-N147 PolarHBondContact O-N 3.19Å; S143-N147 PolarHBondContact O-ND2 3.39Å; N147-C151 WeakPolarHBondContact O-CB 3.19Å; N147-C151 PolarHBondContact O-N 3.49Å; N147-C151 PolarHBondContact O-SG 3.31Å; N147-R380 PolarHBondContact OD1-NH2 3.18Å
148	Q	82.9	Confident	79.9	Confident	142 Å²	142	65.5 Å²	65.5	66%	0.664	33%	0.326	S	S	*	.	H	α-helix	trans	-66.4	-39.4	175.3	-78.6	175.6	-9.9	0	0	112.1	K144 Q145 V146 G152	K144-Q148 WeakPolarHBondContact O-CB 3.21Å; K144-Q148 VanDerWaalsContact O-CG 3.25Å; K144-Q148 WeakPolarHBondContact O-CG 3.29Å; K144-Q148 PolarHBondContact O-N 2.97Å; Q145-Q148 PolarHBondContact O-N 3.13Å; V146-Q148 VanDerWaalsContact C-N 3.32Å; V146-Q148 PolarHBondContact O-N 3.27Å; Q148-G152 PolarHBondContact O-N 2.83Å
149	F	87	Confident	81.5	Confident	11 Å²	11	63.1 Å²	63.1	5%	0.048	32%	0.317	C	S	.	.	H	α-helix	trans	-65.9	-44.2	176.9	-166.9	-93.2	0	0	0	111.6	R96 L97 D101 F102 M105 Q145 V146 G152 L153 V372 V376	R96-F149 WeakPolarHBondContact O-CE2 3.43Å; L97-F149 HydrophobicContact CB-CE2 4.46Å; L97-F149 HydrophobicContact CB-CZ 4.39Å; L97-F149 HydrophobicContact CD2-CD2 3.66Å; L97-F149 HydrophobicContact CD2-CE2 3.79Å; L97-F149 HydrophobicContact CD2-CG 4.1Å; L97-F149 HydrophobicContact CD2-CZ 4.28Å; D101-F149 HydrophobicContact CB-CE2 4.39Å; F102-F149 HydrophobicContact CB-CE1 3.86Å; F102-F149 HydrophobicContact CB-CE2 4.23Å; F102-F149 HydrophobicContact CB-CZ 3.62Å; F102-F149 AromaticContact CD2-CD1 3.64Å; F102-F149 HydrophobicContact CD2-CD1 3.64Å; F102-F149 HydrophobicContact CD2-CD2 4.36Å; F102-F149 AromaticContact CD2-CE1 3.67Å; F102-F149 HydrophobicContact CD2-CE1 3.67Å; F102-F149 HydrophobicContact CD2-CE2 4.37Å; F102-F149 AromaticContact CD2-CG 3.99Å; F102-F149 HydrophobicContact CD2-CG 3.99Å; F102-F149 HydrophobicContact CD2-CZ 4.06Å; F102-F149 HydrophobicContact CE2-CD1 4.17Å; F102-F149 HydrophobicContact CG-CD1 4.38Å; F102-F149 AromaticContact CG-CE1 3.97Å; F102-F149 HydrophobicContact CG-CE1 3.97Å; F102-F149 HydrophobicContact CG-CZ 4.2Å; M105-F149 HydrophobicContact CE-CB 3.85Å; M105-F149 HydrophobicContact CE-CD1 4.46Å; M105-F149 HydrophobicContact CE-CD2 3.16Å; M105-F149 HydrophobicContact CE-CE2 3.71Å; M105-F149 HydrophobicContact CE-CG 3.6Å; M105-F149 HydrophobicContact SD-CD2 4.27Å; Q145-F149 WeakPolarHBondContact O-CB 3.36Å; Q145-F149 PolarHBondContact O-N 3.47Å; V146-F149 WeakPolarHBondContact O-CB 3.38Å; V146-F149 PolarHBondContact O-N 2.92Å; V146-F149 VanDerWaalsContact O-N 3.16Å; F149-G152 PolarHBondContact O-N 3.06Å; F149-L153 HydrophobicContact CD1-CD1 3.81Å; F149-L153 HydrophobicContact CD1-CG 4.38Å; F149-L153 HydrophobicContact CE1-CD1 3.74Å; F149-L153 HydrophobicContact CE1-CG 4.3Å; F149-L153 PolarHBondContact O-N 3.36Å; F149-V372 HydrophobicContact CE1-CG1 3.68Å; F149-V372 HydrophobicContact CZ-CG1 4.26Å; F149-V376 HydrophobicContact CD1-CG2 3.91Å; F149-V376 HydrophobicContact CE1-CG2 3.96Å
150	E	85.1	Confident	82.8	Confident	47 Å²	47	62.1 Å²	62.1	22%	0.22	31%	0.312	C	S	.	.	H	α-helix	trans	-60.8	-48.2	174.9	-168.9	-178.1	172.8	0	0	111.8	V146 G152 L153 H154 L373 V376 R380	V146-E150 WeakPolarHBondContact O-CB 3.49Å; V146-E150 PolarHBondContact O-N 3.2Å; E150-G152 VanDerWaalsContact C-N 3.28Å; E150-G152 PolarHBondContact O-N 2.9Å; E150-L153 WeakPolarHBondContact O-CB 3.43Å; E150-L153 PolarHBondContact O-N 2.75Å; E150-H154 PolarHBondContact O-CD2 2.95Å; E150-H154 VanDerWaalsContact O-CD2 3.27Å; E150-H154 PolarHBondContact O-N 2.72Å; E150-L373 HydrophobicContact CG-CD2 3.84Å; E150-V376 HydrophobicContact CB-CG1 4.45Å; E150-R380 IonicContact OE2-NE 3.98Å; E150-R380 PolarHBondContact OE2-NE 2.97Å
151	C	84.9	Confident	84.1	Confident	86 Å²	86	59 Å²	59	58%	0.581	30%	0.302	S	S	*	.	H	α-helix	trans	-57.3	-41.2	172.7	-76	0	0	0	0	112.1	N147 H154 E155	N147-C151 WeakPolarHBondContact O-CB 3.19Å; N147-C151 PolarHBondContact O-N 3.49Å; N147-C151 PolarHBondContact O-SG 3.31Å; C151-H154 PolarHBondContact O-N 2.72Å; C151-E155 WeakPolarHBondContact O-CB 3.34Å; C151-E155 PolarHBondContact O-N 3.15Å
152	G	86.9	Confident	84.8	Confident	12 Å²	12	60.4 Å²	60.4	12%	0.124	31%	0.311	C	S	.	.	H	α-helix	trans	-63.5	-37.9	177	0	0	0	0	0	113.3	L97 Q148 F149 E150 S156	L97-G152 VanDerWaalsContact CD1-C 3.42Å; L97-G152 VanDerWaalsContact CD1-O 3.28Å; L97-G152 WeakPolarHBondContact CD1-O 3.43Å; Q148-G152 PolarHBondContact O-N 2.83Å; F149-G152 PolarHBondContact O-N 3.06Å; E150-G152 VanDerWaalsContact C-N 3.28Å; E150-G152 PolarHBondContact O-N 2.9Å; G152-S156 WeakPolarHBondContact O-CB 3.42Å; G152-S156 PolarHBondContact O-N 2.78Å; G152-S156 PolarHBondContact O-OG 3.17Å
153	L	89.2	Confident	85.6	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-64.6	-46.9	174	-73.2	166.3	0	0	0	111.1	L92 L97 F149 E150 E155 S156 I157 A369 V372 L373 V376	L92-L153 HydrophobicContact CD2-CD2 3.82Å; L97-L153 HydrophobicContact CB-CD2 3.95Å; F149-L153 HydrophobicContact CD1-CD1 3.81Å; F149-L153 HydrophobicContact CD1-CG 4.38Å; F149-L153 HydrophobicContact CE1-CD1 3.74Å; F149-L153 HydrophobicContact CE1-CG 4.3Å; F149-L153 PolarHBondContact O-N 3.36Å; E150-L153 WeakPolarHBondContact O-CB 3.43Å; E150-L153 PolarHBondContact O-N 2.75Å; L153-E155 PolarHBondContact O-N 3.01Å; L153-S156 PolarHBondContact O-N 3.49Å; L153-S156 VanDerWaalsContact O-N 3.16Å; L153-I157 WeakPolarHBondContact O-CG1 3.48Å; L153-I157 PolarHBondContact O-N 2.83Å; L153-A369 HydrophobicContact CD2-CB 4.2Å; L153-V372 HydrophobicContact CD1-CB 4.29Å; L153-V372 HydrophobicContact CD1-CG1 3.77Å; L153-V372 HydrophobicContact CD2-CB 4.33Å; L153-V372 HydrophobicContact CD2-CG1 4.25Å; L153-L373 HydrophobicContact CB-CD1 4.28Å; L153-L373 HydrophobicContact CB-CD2 3.79Å; L153-L373 HydrophobicContact CB-CG 3.87Å; L153-L373 HydrophobicContact CD1-CD2 3.72Å; L153-L373 HydrophobicContact CD1-CG 3.82Å; L153-L373 HydrophobicContact CG-CD2 4.41Å; L153-L373 HydrophobicContact CG-CG 4.41Å; L153-V376 HydrophobicContact CD1-CG2 4.34Å
154	H	88.5	Confident	86.4	Confident	102 Å²	102	54.3 Å²	54.3	47%	0.472	27%	0.271	S	S	.	.	H	α-helix	trans	-60.9	-42.6	176.1	-75.6	-61	0	0	0	112.9	E150 C151 S156 I157 F158	E150-H154 PolarHBondContact O-CD2 2.95Å; E150-H154 VanDerWaalsContact O-CD2 3.27Å; E150-H154 PolarHBondContact O-N 2.72Å; C151-H154 PolarHBondContact O-N 2.72Å; H154-S156 VanDerWaalsContact C-N 3.29Å; H154-S156 PolarHBondContact O-N 3.19Å; H154-I157 PolarHBondContact O-N 3.43Å; H154-F158 PolarHBondContact O-N 3.3Å
155	E	86.7	Confident	86.9	Confident	118 Å²	118	53.8 Å²	53.8	55%	0.551	27%	0.265	S	S	*	.	H	α-helix	trans	-62.4	-37.9	175.1	-166.9	-165.7	146.9	0	0	111.7	K95 C151 L153 F158 T159	K95-E155 IonicContact NZ-OE1 3.83Å; C151-E155 WeakPolarHBondContact O-CB 3.34Å; C151-E155 PolarHBondContact O-N 3.15Å; L153-E155 PolarHBondContact O-N 3.01Å; E155-F158 PolarHBondContact O-N 3.2Å; E155-T159 PolarHBondContact O-N 3.35Å; E155-T159 PolarHBondContact O-OG1 3.29Å
156	S	89.8	Confident	87.3	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-68	-44.5	178.2	-58.7	0	0	0	0	111.8	K95 L97 G152 L153 H154 F158 T159 Y160	K95-S156 WeakPolarHBondContact CD-OG 3.43Å; K95-S156 PolarHBondContact NZ-OG 2.95Å; L97-S156 VanDerWaalsContact CD1-OG 3.28Å; L97-S156 WeakPolarHBondContact CD1-OG 3.41Å; G152-S156 WeakPolarHBondContact O-CB 3.42Å; G152-S156 PolarHBondContact O-N 2.78Å; G152-S156 PolarHBondContact O-OG 3.17Å; L153-S156 PolarHBondContact O-N 3.49Å; L153-S156 VanDerWaalsContact O-N 3.16Å; H154-S156 VanDerWaalsContact C-N 3.29Å; H154-S156 PolarHBondContact O-N 3.19Å; S156-F158 VanDerWaalsContact C-N 3.29Å; S156-F158 PolarHBondContact O-N 2.91Å; S156-T159 WeakPolarHBondContact O-CB 3.45Å; S156-T159 PolarHBondContact O-N 3.28Å; S156-T159 VanDerWaalsContact O-N 3.1Å; S156-Y160 WeakPolarHBondContact O-CD1 3.33Å; S156-Y160 VanDerWaalsContact O-CD2 3.29Å; S156-Y160 WeakPolarHBondContact O-CD2 3.35Å; S156-Y160 PolarHBondContact O-N 2.93Å
157	I	89.1	Confident	87.6	Confident	31 Å²	31	52.4 Å²	52.4	16%	0.159	26%	0.256	C	S	.	.	H	α-helix	trans	-57.1	-44.3	172.7	-68	170.1	0	0	0	110.9	L153 H154 T159 Y160 T161 I366 A369 Q370 L373	L153-I157 WeakPolarHBondContact O-CG1 3.48Å; L153-I157 PolarHBondContact O-N 2.83Å; H154-I157 PolarHBondContact O-N 3.43Å; I157-T159 PolarHBondContact O-N 3.4Å; I157-Y160 PolarHBondContact O-N 2.88Å; I157-T161 WeakPolarHBondContact O-CB 3.22Å; I157-T161 PolarHBondContact O-N 3.02Å; I157-T161 PolarHBondContact O-OG1 2.86Å; I157-I366 HydrophobicContact CG2-CG2 4.44Å; I157-A369 HydrophobicContact CD1-CB 4.13Å; I157-A369 HydrophobicContact CG1-CB 3.87Å; I157-Q370 HydrophobicContact CD1-CG 4.3Å; I157-L373 HydrophobicContact CD1-CD1 3.58Å
158	F	87.3	Confident	87.9	Confident	130 Å²	130	51.4 Å²	51.4	57%	0.57	25%	0.25	S	S	*	.	H	α-helix	trans	-61.5	-43.1	176	-178.4	-103.9	0	0	0	112	H154 E155 S156 T161 N162	H154-F158 PolarHBondContact O-N 3.3Å; E155-F158 PolarHBondContact O-N 3.2Å; S156-F158 VanDerWaalsContact C-N 3.29Å; S156-F158 PolarHBondContact O-N 2.91Å; F158-T161 PolarHBondContact O-N 3.47Å; F158-N162 WeakPolarHBondContact CD1-ND2 3.46Å; F158-N162 WeakPolarHBondContact CE1-ND2 3.38Å; F158-N162 VanDerWaalsContact CZ-ND2 3.32Å; F158-N162 WeakPolarHBondContact CZ-ND2 3.44Å; F158-N162 PolarHBondContact O-N 3.27Å; F158-N162 PolarHBondContact O-ND2 3.19Å
159	T	88	Confident	88	Confident	31 Å²	31	48.8 Å²	48.8	19%	0.19	24%	0.238	C	C	.	.	H	α-helix	trans	-62.6	-44.8	177.8	-49.2	0	0	0	0	111.5	W86 Y90 E155 S156 I157 N162 R163	W86-T159 HydrophobicContact CH2-CG2 3.54Å; W86-T159 HydrophobicContact CZ2-CG2 3.57Å; Y90-T159 HydrophobicContact CD1-CG2 4.29Å; E155-T159 PolarHBondContact O-N 3.35Å; E155-T159 PolarHBondContact O-OG1 3.29Å; S156-T159 WeakPolarHBondContact O-CB 3.45Å; S156-T159 PolarHBondContact O-N 3.28Å; S156-T159 VanDerWaalsContact O-N 3.1Å; I157-T159 PolarHBondContact O-N 3.4Å; T159-N162 PolarHBondContact O-N 2.89Å; T159-R163 PolarHBondContact O-N 2.89Å
160	Y	92.1	Very high	88	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.3	-42.5	177	-55.9	-26.1	0	0	0	111.8	W86 L87 Y90 G91 L92 S156 I157 N162 R163 I164 L362 E365 I366	W86-Y160 AromaticContact CH2-CD1 3.74Å; W86-Y160 HydrophobicContact CH2-CD1 3.74Å; W86-Y160 HydrophobicContact CH2-CE1 4.06Å; W86-Y160 AromaticContact CZ3-CD1 3.55Å; W86-Y160 HydrophobicContact CZ3-CD1 3.55Å; W86-Y160 AromaticContact CZ3-CE1 3.77Å; W86-Y160 HydrophobicContact CZ3-CE1 3.77Å; L87-Y160 HydrophobicContact CD2-CD1 4.45Å; L87-Y160 HydrophobicContact CD2-CE1 4.02Å; Y90-Y160 WeakPolarHBondContact O-CE1 3.4Å; Y90-Y160 PolarHBondContact O-OH 2.78Å; G91-Y160 VanDerWaalsContact C-OH 3.28Å; G91-Y160 VanDerWaalsContact CA-OH 3.29Å; G91-Y160 WeakPolarHBondContact CA-OH 3.37Å; L92-Y160 PolarHBondContact N-OH 3.44Å; S156-Y160 WeakPolarHBondContact O-CD1 3.33Å; S156-Y160 VanDerWaalsContact O-CD2 3.29Å; S156-Y160 WeakPolarHBondContact O-CD2 3.35Å; S156-Y160 PolarHBondContact O-N 2.93Å; I157-Y160 PolarHBondContact O-N 2.88Å; Y160-N162 VanDerWaalsContact C-N 3.32Å; Y160-N162 PolarHBondContact O-N 2.76Å; Y160-R163 WeakPolarHBondContact O-CB 3.2Å; Y160-R163 PolarHBondContact O-N 2.98Å; Y160-R163 VanDerWaalsContact O-N 3.13Å; Y160-I164 WeakPolarHBondContact O-CG1 3.5Å; Y160-I164 PolarHBondContact O-N 3.12Å; Y160-L362 HydrophobicContact CD1-CD2 4.39Å; Y160-E365 HydrophobicContact CD2-CB 4.12Å; Y160-E365 HydrophobicContact CE2-CB 3.86Å; Y160-I366 HydrophobicContact CD2-CG1 3.77Å; Y160-I366 HydrophobicContact CG-CG1 4.22Å
161	T	90.3	Very high	88.2	Confident	58 Å²	58	51.6 Å²	51.6	36%	0.356	26%	0.255	S	S	.	.	H	α-helix	trans	-61.2	-41.5	176.9	-55.7	0	0	0	0	111.6	I157 F158 I164 R165	I157-T161 WeakPolarHBondContact O-CB 3.22Å; I157-T161 PolarHBondContact O-N 3.02Å; I157-T161 PolarHBondContact O-OG1 2.86Å; F158-T161 PolarHBondContact O-N 3.47Å; T161-I164 PolarHBondContact O-N 3.17Å; T161-R165 PolarHBondContact O-N 2.86Å
162	N	87.3	Confident	88.5	Confident	50 Å²	50	48 Å²	48	27%	0.267	23%	0.23	S	C	.	.	H	α-helix	trans	-66.6	-37	174.6	-70.3	-25.8	0	0	0	112.3	F158 T159 Y160 R165 W166	F158-N162 WeakPolarHBondContact CD1-ND2 3.46Å; F158-N162 WeakPolarHBondContact CE1-ND2 3.38Å; F158-N162 VanDerWaalsContact CZ-ND2 3.32Å; F158-N162 WeakPolarHBondContact CZ-ND2 3.44Å; F158-N162 PolarHBondContact O-N 3.27Å; F158-N162 PolarHBondContact O-ND2 3.19Å; T159-N162 PolarHBondContact O-N 2.89Å; Y160-N162 VanDerWaalsContact C-N 3.32Å; Y160-N162 PolarHBondContact O-N 2.76Å; N162-R165 WeakPolarHBondContact O-CB 3.39Å; N162-R165 PolarHBondContact O-N 2.84Å; N162-R165 PolarHBondContact OD1-NH1 2.79Å; N162-W166 PolarHBondContact O-N 3.17Å
163	R	89.3	Confident	88.6	Confident	14 Å²	14	48.4 Å²	48.4	5%	0.053	23%	0.228	C	C	.	.	H	α-helix	trans	-64.6	-40	174.6	-173	62.6	174	-168.8	-5.6	112.1	S78 Q81 W86 T159 Y160 W166 L167 L362	S78-R163 PolarHBondContact O-NH1 3.45Å; S78-R163 PolarHBondContact O-NH2 3.32Å; Q81-R163 PolarHBondContact O-NH2 3.14Å; W86-R163 HydrophobicContact CD2-CG 4.32Å; W86-R163 HydrophobicContact CE3-CG 4.31Å; W86-R163 HydrophobicContact CH2-CB 4.15Å; W86-R163 HydrophobicContact CH2-CG 4.46Å; W86-R163 HydrophobicContact CZ2-CB 4.3Å; W86-R163 HydrophobicContact CZ2-CG 4.46Å; W86-R163 HydrophobicContact CZ3-CB 4.41Å; W86-R163 HydrophobicContact CZ3-CG 4.38Å; T159-R163 PolarHBondContact O-N 2.89Å; Y160-R163 WeakPolarHBondContact O-CB 3.2Å; Y160-R163 PolarHBondContact O-N 2.98Å; Y160-R163 VanDerWaalsContact O-N 3.13Å; R163-W166 VanDerWaalsContact CZ-CE3 3.48Å; R163-W166 PolarHBondContact O-N 2.78Å; R163-L167 WeakPolarHBondContact O-CG 3.37Å; R163-L167 PolarHBondContact O-N 2.57Å; R163-L362 HydrophobicContact CB-CD1 4.17Å; R163-L362 HydrophobicContact CG-CD1 3.79Å; R163-L362 HydrophobicContact CG-CD2 4.37Å
164	I	90.1	Very high	88.7	Confident	14 Å²	14	49 Å²	49	7%	0.072	23%	0.231	C	C	.	.	H	α-helix	trans	-61.7	-44.5	172.9	-66.1	171	0	0	0	110.2	Y160 T161 W166 L167 M168 Y354 I359 L362 L363 I366	Y160-I164 WeakPolarHBondContact O-CG1 3.5Å; Y160-I164 PolarHBondContact O-N 3.12Å; T161-I164 PolarHBondContact O-N 3.17Å; I164-W166 VanDerWaalsContact C-N 3.3Å; I164-W166 PolarHBondContact O-N 3.27Å; I164-L167 PolarHBondContact O-N 3.22Å; I164-L167 VanDerWaalsContact O-N 3.12Å; I164-M168 HydrophobicContact CG2-CG 4.39Å; I164-M168 VanDerWaalsContact O-CG 3.3Å; I164-M168 WeakPolarHBondContact O-CG 3.02Å; I164-M168 PolarHBondContact O-N 2.82Å; I164-M168 VanDerWaalsContact O-N 3.08Å; I164-Y354 HydrophobicContact CG2-CE1 4.09Å; I164-I359 HydrophobicContact CG1-CG2 4.5Å; I164-I359 HydrophobicContact CG2-CG2 4.34Å; I164-L362 HydrophobicContact CD1-CB 3.98Å; I164-L362 HydrophobicContact CG1-CB 3.9Å; I164-L362 HydrophobicContact CG1-CD1 3.66Å; I164-L362 HydrophobicContact CG1-CG 4.41Å; I164-L363 HydrophobicContact CD1-CD2 4.02Å; I164-L363 HydrophobicContact CD1-CG 4.39Å; I164-I366 HydrophobicContact CD1-CD1 3.96Å
165	R	88.8	Confident	88.8	Confident	144 Å²	144	44.1 Å²	44.1	54%	0.543	21%	0.208	S	C	.	.	H	α-helix	trans	-56.8	-44.5	176.8	-167.7	-177.4	-64.6	118.5	3.2	111.6	T161 N162 L167 M168	T161-R165 PolarHBondContact O-N 2.86Å; N162-R165 WeakPolarHBondContact O-CB 3.39Å; N162-R165 PolarHBondContact O-N 2.84Å; N162-R165 PolarHBondContact OD1-NH1 2.79Å; R165-L167 PolarHBondContact O-N 2.94Å; R165-M168 WeakPolarHBondContact O-CB 3.33Å; R165-M168 PolarHBondContact O-N 2.92Å; R165-M168 VanDerWaalsContact O-N 3.11Å
166	W	87.4	Confident	88.9	Confident	51 Å²	51	38.6 Å²	38.6	19%	0.193	18%	0.183	C	C	.	.	H	α-helix	trans	-63	-38.1	175.8	177.1	71.3	0	0	0	113.4	V79 N162 R163 I164 M168 E169 K172 L177	V79-W166 HydrophobicContact CB-CZ2 4.38Å; V79-W166 HydrophobicContact CG1-CZ2 3.87Å; N162-W166 PolarHBondContact O-N 3.17Å; R163-W166 VanDerWaalsContact CZ-CE3 3.48Å; R163-W166 PolarHBondContact O-N 2.78Å; I164-W166 VanDerWaalsContact C-N 3.3Å; I164-W166 PolarHBondContact O-N 3.27Å; W166-M168 PolarHBondContact O-N 3.49Å; W166-E169 PolarHBondContact O-N 3.01Å; W166-K172 HydrophobicContact CH2-CD 4.09Å; W166-K172 HydrophobicContact CZ2-CD 3.88Å; W166-K172 HydrophobicContact CZ3-CD 4.48Å; W166-K172 WeakPolarHBondContact O-CE 3.44Å; W166-L177 HydrophobicContact CH2-CD1 4.05Å; W166-L177 HydrophobicContact CH2-CD2 4.31Å; W166-L177 HydrophobicContact CZ3-CD2 4.36Å
167	L	88.1	Confident	88.8	Confident	4 Å²	4	39 Å²	39	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-68	-21.2	174.4	-71.4	172.7	0	0	0	113.1	R163 I164 R165 E169 K172 K173 L177 E358 I359 L362	R163-L167 WeakPolarHBondContact O-CG 3.37Å; R163-L167 PolarHBondContact O-N 2.57Å; I164-L167 PolarHBondContact O-N 3.22Å; I164-L167 VanDerWaalsContact O-N 3.12Å; R165-L167 PolarHBondContact O-N 2.94Å; L167-E169 VanDerWaalsContact C-N 3.31Å; L167-K172 CarbonylContact O-C 2.88Å; L167-K172 WeakPolarHBondContact O-CB 3.14Å; L167-K173 PolarHBondContact O-N 3.49Å; L167-L177 HydrophobicContact CD2-CB 4.42Å; L167-E358 HydrophobicContact CD1-CB 4.4Å; L167-I359 HydrophobicContact CD1-CG1 4.13Å; L167-L362 HydrophobicContact CD1-CD1 3.79Å
168	M	87.5	Confident	88.7	Confident	35 Å²	35	38.4 Å²	38.4	17%	0.172	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	4.7	178.3	-66.2	-65.8	-74.4	0	0	113.6	I164 R165 W166 K173 V353 Y354 I359	I164-M168 HydrophobicContact CG2-CG 4.39Å; I164-M168 VanDerWaalsContact O-CG 3.3Å; I164-M168 WeakPolarHBondContact O-CG 3.02Å; I164-M168 PolarHBondContact O-N 2.82Å; I164-M168 VanDerWaalsContact O-N 3.08Å; R165-M168 WeakPolarHBondContact O-CB 3.33Å; R165-M168 PolarHBondContact O-N 2.92Å; R165-M168 VanDerWaalsContact O-N 3.11Å; W166-M168 PolarHBondContact O-N 3.49Å; M168-K173 HydrophobicContact CE-CD 4.37Å; M168-K173 HydrophobicContact CE-CG 4.37Å; M168-K173 WeakPolarHBondContact O-CD 3.47Å; M168-K173 HydrophobicContact SD-CG 4.31Å; M168-V353 HydrophobicContact CE-CB 4.3Å; M168-V353 HydrophobicContact SD-CB 4.08Å; M168-V353 HydrophobicContact SD-CG1 3.7Å; M168-Y354 HydrophobicContact CE-CE2 4.22Å; M168-I359 HydrophobicContact SD-CD1 3.99Å
169	E	85.7	Confident	88.3	Confident	87 Å²	87	33.9 Å²	33.9	41%	0.407	16%	0.161	S	C	.	.	S	Bend	trans	-93.7	136	177.3	-67.5	168.2	-178	0	0	112.1	W166 L167 K172	W166-E169 PolarHBondContact O-N 3.01Å; L167-E169 VanDerWaalsContact C-N 3.31Å; E169-K172 WeakPolarHBondContact O-CB 3.24Å; E169-K172 WeakPolarHBondContact O-CE 3.2Å; E169-K172 PolarHBondContact O-N 2.91Å; E169-K172 PolarHBondContact O-NZ 3.28Å
170	D	85.8	Confident	88	Confident	114 Å²	114	34.1 Å²	34.1	61%	0.61	17%	0.17	S	C	*	.	H	α-helix	trans	51.6	-133.8	171.7	-52.6	-40.5	0	0	0	115	K172 K173 E212	D170-K172 VanDerWaalsContact C-N 3.26Å; D170-K172 PolarHBondContact O-N 3.02Å; D170-K173 WeakPolarHBondContact O-CB 3.44Å; D170-K173 PolarHBondContact O-N 3.49Å; D170-E212 WeakPolarHBondContact CB-OE2 3.33Å
171	T	90.3	Very high	87.7	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.012	19%	0.189	C	C	.	.	H	α-helix	trans	-72.4	-19.2	-173.8	66.3	0	0	0	0	113.2	K173 I174 F175 E208 E212 Q213	T171-K173 VanDerWaalsContact C-N 3.26Å; T171-K173 PolarHBondContact O-N 3.07Å; T171-I174 PolarHBondContact O-N 3.26Å; T171-F175 PolarHBondContact O-N 2.72Å; T171-E208 VanDerWaalsContact CG2-C 3.43Å; T171-E208 HydrophobicContact CG2-CB 3.65Å; T171-E212 WeakPolarHBondContact CB-OE2 3.38Å; T171-E212 HydrophobicContact CG2-CB 4.16Å; T171-E212 WeakPolarHBondContact CG2-OE2 3.49Å; T171-E212 PolarHBondContact N-OE2 3.38Å; T171-E212 PolarHBondContact OG1-OE2 2.9Å; T171-Q213 PolarHBondContact OG1-NE2 3.47Å
172	K	89.6	Confident	87.7	Confident	12 Å²	12	37 Å²	37	5%	0.052	18%	0.18	C	C	.	.	H	α-helix	trans	-62.6	-36.3	176.2	-63.3	172.6	-63.9	-51.8	0	111.1	W166 L167 E169 D170 I174 G176 E212 H343	W166-K172 HydrophobicContact CH2-CD 4.09Å; W166-K172 HydrophobicContact CZ2-CD 3.88Å; W166-K172 HydrophobicContact CZ3-CD 4.48Å; W166-K172 WeakPolarHBondContact O-CE 3.44Å; L167-K172 CarbonylContact O-C 2.88Å; L167-K172 WeakPolarHBondContact O-CB 3.14Å; E169-K172 WeakPolarHBondContact O-CB 3.24Å; E169-K172 WeakPolarHBondContact O-CE 3.2Å; E169-K172 PolarHBondContact O-N 2.91Å; E169-K172 PolarHBondContact O-NZ 3.28Å; D170-K172 VanDerWaalsContact C-N 3.26Å; D170-K172 PolarHBondContact O-N 3.02Å; K172-I174 VanDerWaalsContact C-N 3.29Å; K172-I174 PolarHBondContact O-N 3.31Å; K172-G176 WeakPolarHBondContact O-CA 3.46Å; K172-G176 PolarHBondContact O-N 2.83Å; K172-E212 IonicContact NZ-OE1 3.65Å; K172-E212 PolarHBondContact NZ-OE1 3.39Å; K172-H343 PolarHBondContact O-CE1 2.78Å
173	K	90.8	Very high	87.9	Confident	20 Å²	20	34.6 Å²	34.6	9%	0.087	17%	0.167	C	C	.	.	H	α-helix	trans	-65	-33.3	172.8	-177.2	-177.4	167.6	-172.6	0	112.7	L167 M168 D170 T171 H343 E350 V353	L167-K173 PolarHBondContact O-N 3.49Å; M168-K173 HydrophobicContact CE-CD 4.37Å; M168-K173 HydrophobicContact CE-CG 4.37Å; M168-K173 WeakPolarHBondContact O-CD 3.47Å; M168-K173 HydrophobicContact SD-CG 4.31Å; D170-K173 WeakPolarHBondContact O-CB 3.44Å; D170-K173 PolarHBondContact O-N 3.49Å; T171-K173 VanDerWaalsContact C-N 3.26Å; T171-K173 PolarHBondContact O-N 3.07Å; K173-H343 PolarHBondContact O-CE1 3.08Å; K173-H343 PolarHBondContact O-NE2 2.68Å; K173-E350 IonicContact NZ-OE1 2.83Å; K173-E350 PolarHBondContact NZ-OE1 3.28Å; K173-E350 IonicContact NZ-OE2 3.31Å; K173-E350 PolarHBondContact NZ-OE2 3.23Å; K173-V353 HydrophobicContact CG-CG1 4.45Å; K173-V353 HydrophobicContact CG-CG2 4.27Å
174	I	90.2	Very high	88	Confident	12 Å²	12	34 Å²	34	6%	0.062	17%	0.165	C	C	.	.	H	α-helix	trans	-89	-45.4	-171.2	-54.8	174.2	0	0	0	111.5	T171 K172 H205 Y319 H343 Y345	T171-I174 PolarHBondContact O-N 3.26Å; K172-I174 VanDerWaalsContact C-N 3.29Å; K172-I174 PolarHBondContact O-N 3.31Å; I174-H205 HydrophobicContact CD1-CB 4.37Å; I174-H205 HydrophobicContact CG2-CB 4.4Å; I174-Y319 HydrophobicContact CG2-CD2 4.16Å; I174-Y319 HydrophobicContact CG2-CE2 3.87Å; I174-H343 PolarHBondContact O-CD2 2.58Å; I174-H343 PolarHBondContact O-NE2 2.95Å; I174-Y345 HydrophobicContact CB-CD2 4.23Å; I174-Y345 HydrophobicContact CB-CE2 4.39Å; I174-Y345 HydrophobicContact CB-CG 4.32Å; I174-Y345 HydrophobicContact CG1-CD2 4.09Å; I174-Y345 HydrophobicContact CG1-CE2 3.77Å; I174-Y345 HydrophobicContact CG2-CD1 3.83Å; I174-Y345 HydrophobicContact CG2-CD2 4.34Å; I174-Y345 HydrophobicContact CG2-CE1 4.03Å; I174-Y345 HydrophobicContact CG2-CE2 4.5Å; I174-Y345 HydrophobicContact CG2-CG 3.99Å; I174-Y345 VanDerWaalsContact O-CB 3.25Å; I174-Y345 WeakPolarHBondContact O-CB 3.49Å
175	F	91.2	Very high	88.2	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-115.4	-5.1	-172.9	-59.3	-79.6	0	0	0	113.5	T171 H205 L206 L209 V286 H315 V317 Y319 H343	T171-F175 PolarHBondContact O-N 2.72Å; F175-H205 HydrophobicContact CE2-CB 3.88Å; F175-H205 VanDerWaalsContact CE2-O 3.3Å; F175-H205 WeakPolarHBondContact CE2-O 3.33Å; F175-H205 HydrophobicContact CZ-CB 3.8Å; F175-L206 HydrophobicContact CE1-CD2 3.9Å; F175-L206 HydrophobicContact CZ-CD2 3.93Å; F175-L206 HydrophobicContact CZ-CG 4.36Å; F175-L209 HydrophobicContact CB-CD1 3.79Å; F175-L209 HydrophobicContact CB-CD2 4.36Å; F175-L209 HydrophobicContact CD1-CD2 4Å; F175-L209 HydrophobicContact CD2-CB 3.98Å; F175-L209 HydrophobicContact CD2-CD1 3.52Å; F175-L209 HydrophobicContact CD2-CD2 3.96Å; F175-L209 HydrophobicContact CD2-CG 4.03Å; F175-L209 HydrophobicContact CE1-CD2 4.25Å; F175-L209 HydrophobicContact CE2-CB 3.86Å; F175-L209 HydrophobicContact CE2-CD1 4.27Å; F175-L209 HydrophobicContact CE2-CD2 4.19Å; F175-L209 HydrophobicContact CE2-CG 4.34Å; F175-L209 HydrophobicContact CG-CD1 3.79Å; F175-L209 HydrophobicContact CG-CD2 3.84Å; F175-L209 HydrophobicContact CG-CG 4.3Å; F175-L209 HydrophobicContact CZ-CB 4.5Å; F175-L209 HydrophobicContact CZ-CD2 4.33Å; F175-V286 HydrophobicContact CD1-CG2 4.35Å; F175-V286 HydrophobicContact CE1-CG1 4.21Å; F175-V286 HydrophobicContact CE1-CG2 4.44Å; F175-H315 PolarHBondContact O-NE2 3.25Å; F175-V317 HydrophobicContact CD1-CG1 4.15Å; F175-Y319 HydrophobicContact CE1-CD2 4.22Å; F175-Y319 HydrophobicContact CZ-CE2 4.41Å; F175-H343 VanDerWaalsContact C-CD2 3.44Å
176	G	87.9	Confident	88.5	Confident	1 Å²	1	26.5 Å²	26.5	1%	0.01	14%	0.136	C	C	.	.			trans	80	179.8	-170.7	0	0	0	0	0	112	K172 I178 Q213 H343	K172-G176 WeakPolarHBondContact O-CA 3.46Å; K172-G176 PolarHBondContact O-N 2.83Å; G176-I178 PolarHBondContact O-N 2.66Å; G176-Q213 PolarHBondContact O-NE2 3.11Å; G176-Q213 PolarHBondContact O-OE1 2.96Å; G176-H343 WeakPolarHBondContact CA-ND1 3.44Å; G176-H343 PolarHBondContact N-CD2 3.27Å; G176-H343 PolarHBondContact N-CE1 3.38Å; G176-H343 PolarHBondContact N-NE2 3.07Å
177	L	88.3	Confident	88.9	Confident	9 Å²	9	24 Å²	24	5%	0.047	13%	0.127	C	C	.	.			trans	-82.3	109.1	175.3	-176.7	63.8	0	0	0	110.4	W166 L167 E358	W166-L177 HydrophobicContact CH2-CD1 4.05Å; W166-L177 HydrophobicContact CH2-CD2 4.31Å; W166-L177 HydrophobicContact CZ3-CD2 4.36Å; L167-L177 HydrophobicContact CD2-CB 4.42Å; L177-E358 VanDerWaalsContact CB-OE2 3.25Å; L177-E358 WeakPolarHBondContact CB-OE2 3.32Å; L177-E358 PolarHBondContact N-OE2 3.28Å
178	I	86.2	Confident	89.2	Confident	19 Å²	19	23.9 Å²	23.9	10%	0.097	13%	0.126	C	C	.	.			trans	-78.2	138	179.5	-66.6	171.8	0	0	0	110.8	G176 I183 L209 Q213 I214 I284	G176-I178 PolarHBondContact O-N 2.66Å; I178-I183 HydrophobicContact CG2-CD1 3.49Å; I178-I183 VanDerWaalsContact CG2-CD1 3.49Å; I178-L209 HydrophobicContact CD1-CD1 3.4Å; I178-L209 HydrophobicContact CD1-CD2 3.93Å; I178-L209 HydrophobicContact CD1-CG 3.92Å; I178-Q213 HydrophobicContact CB-CB 4.47Å; I178-Q213 HydrophobicContact CD1-CB 4.43Å; I178-I214 HydrophobicContact CD1-CD1 4.35Å; I178-I214 HydrophobicContact CD1-CG1 4.26Å; I178-I284 HydrophobicContact CB-CD1 4.33Å; I178-I284 HydrophobicContact CD1-CD1 3.66Å; I178-I284 HydrophobicContact CG1-CD1 3.85Å; I178-I284 HydrophobicContact CG2-CD1 3.53Å
179	R	80.5	Confident	89.5	Confident	34 Å²	34	22.2 Å²	22.2	13%	0.128	12%	0.117	C	C	.	.			trans	-131.7	161	-177.2	-65.6	-176.5	160.9	-89.5	-44.7	112.5	K80 Q81 S82 E85 V282	K80-R179 VanDerWaalsContact C-NH2 3.33Å; K80-R179 PolarHBondContact O-NH2 3.35Å; Q81-R179 PolarHBondContact O-NH2 3.03Å; S82-R179 VanDerWaalsContact CA-NH1 3.35Å; S82-R179 VanDerWaalsContact CA-NH2 3.25Å; S82-R179 VanDerWaalsContact CB-NH1 3.26Å; E85-R179 IonicContact OE1-CZ 2.64Å; E85-R179 IonicContact OE1-NH1 2.83Å; E85-R179 PolarHBondContact OE1-NH1 3.47Å; E85-R179 IonicContact OE2-CZ 3.43Å; E85-R179 IonicContact OE2-NH1 3.61Å; E85-R179 PolarHBondContact OE2-NH1 2.98Å; R179-V282 WeakPolarHBondContact O-CG2 3.38Å
180	G	79.7	Confident	89.8	Confident	36 Å²	36	18.1 Å²	18.1	37%	0.371	10%	0.098	S	C	.	.			trans	99.9	155.3	176.7	0	0	0	0	0	112.5	L219	G180-L219 WeakPolarHBondContact O-CD2 3.04Å
181	E	86.1	Confident	89.9	Confident	89 Å²	89	16.6 Å²	16.6	42%	0.416	9%	0.09	S	C	.	.	S	Bend	trans	-94.7	-22.3	176.1	-62.1	-179.9	147	0	0	111.5	K220 T221	E181-K220 HydrophobicContact CB-CB 4.24Å; E181-K220 HydrophobicContact CB-CD 4.2Å; E181-K220 HydrophobicContact CB-CG 4.13Å; E181-K220 PolarHBondContact O-N 2.91Å; E181-K220 IonicContact OE1-NZ 3.47Å; E181-K220 PolarHBondContact OE1-NZ 3.27Å; E181-K220 VanDerWaalsContact OE2-CD 3.27Å; E181-K220 WeakPolarHBondContact OE2-CD 3.45Å; E181-K220 WeakPolarHBondContact OE2-CE 3.02Å; E181-K220 IonicContact OE2-NZ 2.64Å; E181-K220 PolarHBondContact OE2-NZ 2.9Å; E181-T221 PolarHBondContact O-N 2.68Å; E181-T221 VanDerWaalsContact O-N 3.09Å
182	N	90.1	Very high	89.7	Confident	29 Å²	29	19.3 Å²	19.3	16%	0.155	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	97.9	-179.7	-56.3	-56.5	0	0	0	110.4	T221 Q279 D281 V282	N182-T221 WeakPolarHBondContact CA-O 3.29Å; N182-T221 VanDerWaalsContact CA-OG1 3.3Å; N182-T221 WeakPolarHBondContact CA-OG1 3.38Å; N182-T221 WeakPolarHBondContact CB-OG1 3.43Å; N182-T221 WeakPolarHBondContact OD1-CB 3.09Å; N182-T221 WeakPolarHBondContact OD1-CG2 3.36Å; N182-T221 PolarHBondContact OD1-N 3.44Å; N182-T221 PolarHBondContact OD1-OG1 3.27Å; N182-Q279 WeakPolarHBondContact CB-O 3.48Å; N182-D281 HydrophobicContact CB-CB 4.33Å; N182-D281 WeakPolarHBondContact CB-OD2 3.48Å; N182-D281 PolarHBondContact N-OD2 3.32Å; N182-D281 PolarHBondContact ND2-OD2 2.83Å; N182-D281 PolarHBondContact O-N 3Å; N182-V282 PolarHBondContact O-N 3.31Å
183	I	91.3	Very high	89.7	Confident	1 Å²	1	18.7 Å²	18.7	1%	0.005	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	130.4	-168.2	-63.5	-173.3	0	0	0	112	I178 L219 T221 L222 Y223 V282 I284	I178-I183 HydrophobicContact CG2-CD1 3.49Å; I178-I183 VanDerWaalsContact CG2-CD1 3.49Å; I183-L219 HydrophobicContact CD1-CD1 4.32Å; I183-L219 HydrophobicContact CD1-CD2 3.3Å; I183-L219 HydrophobicContact CD1-CG 4.46Å; I183-L219 HydrophobicContact CG1-CD2 3.75Å; I183-T221 PolarHBondContact N-O 2.89Å; I183-L222 HydrophobicContact CB-CD1 4.4Å; I183-L222 HydrophobicContact CG2-CD1 4.4Å; I183-L222 CarbonylContact O-C 3.48Å; I183-L222 VanDerWaalsContact O-CA 3.31Å; I183-L222 WeakPolarHBondContact O-CA 3.26Å; I183-Y223 PolarHBondContact O-N 3.22Å; I183-V282 CarbonylContact C-O 3.41Å; I183-V282 WeakPolarHBondContact CA-O 3.41Å; I183-I284 HydrophobicContact CD1-CD1 4.43Å; I183-I284 HydrophobicContact CG2-CD1 3.53Å; I183-I284 HydrophobicContact CG2-CG1 4.02Å
184	G	92.8	Very high	89.6	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	132.1	161.6	0	0	0	0	0	110.7	Y223 V282 I283 I284	G184-Y223 CarbonylContact C-O 3.53Å; G184-Y223 VanDerWaalsContact CA-O 3.27Å; G184-Y223 WeakPolarHBondContact CA-O 3.44Å; G184-V282 PolarHBondContact N-O 3.1Å; G184-I283 CarbonylContact O-C 3.55Å; G184-I283 WeakPolarHBondContact O-CA 3.16Å; G184-I284 PolarHBondContact O-N 3.15Å
185	L	94.4	Very high	89.1	Confident	1 Å²	1	18.6 Å²	18.6	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	115.3	176.3	-177.7	65.2	0	0	0	109.5	L187 I214 Y223 V224 A225 I284 V286	L185-L187 HydrophobicContact CD1-CD2 3.81Å; L185-L187 HydrophobicContact CD2-CD1 4.35Å; L185-L187 HydrophobicContact CD2-CD2 4.05Å; L185-L187 HydrophobicContact CD2-CG 4.34Å; L185-L187 HydrophobicContact CG-CD2 3.73Å; L185-L187 HydrophobicContact CG-CG 4.04Å; L185-I214 HydrophobicContact CD2-CD1 4.28Å; L185-Y223 PolarHBondContact N-O 2.87Å; L185-V224 HydrophobicContact CB-CG1 4.33Å; L185-V224 HydrophobicContact CB-CG2 4.14Å; L185-V224 HydrophobicContact CD2-CG1 4.32Å; L185-V224 WeakPolarHBondContact O-CA 3.48Å; L185-A225 PolarHBondContact O-N 2.75Å; L185-I284 HydrophobicContact CD1-CB 3.97Å; L185-I284 HydrophobicContact CD1-CG2 4.02Å; L185-V286 HydrophobicContact CD1-CG2 4.29Å
186	L	95.1	Very high	88.2	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	113.9	179.1	-176.9	63.3	0	0	0	109.9	A225 Y227 G268 I269 M272 I284 I285 V286	L186-A225 WeakPolarHBondContact CA-O 3.41Å; L186-A225 HydrophobicContact CD1-CB 4.4Å; L186-Y227 HydrophobicContact CD1-CD1 3.63Å; L186-Y227 HydrophobicContact CD1-CE1 4.45Å; L186-Y227 HydrophobicContact CD1-CG 4.36Å; L186-Y227 HydrophobicContact CD2-CD1 4.13Å; L186-Y227 HydrophobicContact CD2-CE1 4.34Å; L186-Y227 HydrophobicContact CG-CD1 3.56Å; L186-Y227 HydrophobicContact CG-CE1 3.89Å; L186-G268 VanDerWaalsContact CD2-C 3.45Å; L186-I269 HydrophobicContact CD2-CG1 4.39Å; L186-M272 HydrophobicContact CB-CG 3.94Å; L186-M272 HydrophobicContact CB-SD 4.32Å; L186-M272 HydrophobicContact CD1-CE 4.43Å; L186-M272 HydrophobicContact CD1-CG 4.11Å; L186-M272 HydrophobicContact CD2-CG 4.03Å; L186-M272 HydrophobicContact CG-CG 4.24Å; L186-I284 PolarHBondContact N-O 3.35Å; L186-I285 HydrophobicContact CB-CG1 4.37Å; L186-I285 HydrophobicContact CD2-CD1 4.39Å; L186-I285 HydrophobicContact CD2-CG1 4.27Å; L186-I285 HydrophobicContact CD2-CG2 4.19Å; L186-V286 PolarHBondContact O-N 3.22Å
187	L	95.3	Very high	87.5	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	132	-171.7	-58.2	177.9	0	0	0	112.4	L185 S189 L206 A225 S226 Y227 L257 V286	L185-L187 HydrophobicContact CD1-CD2 3.81Å; L185-L187 HydrophobicContact CD2-CD1 4.35Å; L185-L187 HydrophobicContact CD2-CD2 4.05Å; L185-L187 HydrophobicContact CD2-CG 4.34Å; L185-L187 HydrophobicContact CG-CD2 3.73Å; L185-L187 HydrophobicContact CG-CG 4.04Å; L187-S189 PolarHBondContact O-N 3.41Å; L187-L206 HydrophobicContact CD1-CD1 3.98Å; L187-L206 HydrophobicContact CD2-CD1 4.12Å; L187-L206 HydrophobicContact CD2-CD2 3.73Å; L187-A225 PolarHBondContact N-O 3.29Å; L187-S226 CarbonylContact O-C 3.55Å; L187-S226 WeakPolarHBondContact O-CA 3.46Å; L187-S226 WeakPolarHBondContact O-CB 3.13Å; L187-Y227 WeakPolarHBondContact O-CD1 3.31Å; L187-Y227 PolarHBondContact O-N 2.88Å; L187-L257 HydrophobicContact CB-CD1 4.3Å; L187-L257 HydrophobicContact CD1-CD1 4.37Å; L187-V286 HydrophobicContact CD2-CB 4.15Å; L187-V286 HydrophobicContact CD2-CG2 4.03Å
188	D	93.8	Very high	87.2	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	110.5	173.1	-175.2	-10	0	0	0	111.3	S190 N193 Y227 V286 G288 S289	D188-S190 WeakPolarHBondContact OD1-CB 3.45Å; D188-S190 PolarHBondContact OD1-N 3.03Å; D188-S190 PolarHBondContact OD1-OG 2.79Å; D188-N193 HydrophobicContact CB-CB 4.39Å; D188-N193 PolarHBondContact O-ND2 2.93Å; D188-Y227 HydrophobicContact CB-CE1 3.97Å; D188-Y227 HydrophobicContact CB-CE2 4.39Å; D188-V286 VanDerWaalsContact CB-O 3.23Å; D188-V286 WeakPolarHBondContact CB-O 3.49Å; D188-V286 PolarHBondContact N-O 3.27Å; D188-G288 WeakPolarHBondContact OD2-CA 3.28Å; D188-G288 PolarHBondContact OD2-N 3.16Å; D188-S289 PolarHBondContact OD1-OG 3.01Å; D188-S289 VanDerWaalsContact OD2-CB 3.29Å; D188-S289 WeakPolarHBondContact OD2-CB 3.27Å; D188-S289 PolarHBondContact OD2-N 3.48Å; D188-S289 PolarHBondContact OD2-OG 3.32Å
189	S	93.5	Very high	87.1	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.211	C	C	.	.			trans	-108.4	23.4	175.4	61.4	0	0	0	0	112.5	L187 S226 Y227 P259 M260	L187-S189 PolarHBondContact O-N 3.41Å; S189-S226 WeakPolarHBondContact OG-CB 3.15Å; S189-S226 PolarHBondContact OG-OG 3.46Å; S189-Y227 PolarHBondContact N-O 2.88Å; S189-Y227 VanDerWaalsContact OG-C 3.22Å; S189-Y227 PolarHBondContact OG-O 3.19Å; S189-Y227 VanDerWaalsContact OG-O 3.11Å; S189-P259 CarbonylContact O-C 3.52Å; S189-P259 WeakPolarHBondContact O-CA 2.94Å; S189-M260 PolarHBondContact O-N 3.26Å
190	S	91.8	Very high	87.4	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.007	24%	0.235	C	C	.	.			trans	-63.5	154.8	173	64.4	0	0	0	0	111.9	D188 A192 N193 L194 G261 G262 S289	D188-S190 WeakPolarHBondContact OD1-CB 3.45Å; D188-S190 PolarHBondContact OD1-N 3.03Å; D188-S190 PolarHBondContact OD1-OG 2.79Å; S190-A192 PolarHBondContact O-N 3.49Å; S190-N193 PolarHBondContact O-N 2.96Å; S190-N193 VanDerWaalsContact O-N 3.13Å; S190-N193 PolarHBondContact OG-N 3.4Å; S190-L194 PolarHBondContact O-N 3.39Å; S190-G261 WeakPolarHBondContact CA-O 3.29Å; S190-G262 WeakPolarHBondContact CB-O 3.42Å; S190-S289 VanDerWaalsContact OG-CB 3.26Å; S190-S289 WeakPolarHBondContact OG-CB 3.36Å; S190-S289 PolarHBondContact OG-OG 2.88Å
191	D	89.2	Confident	87.8	Confident	82 Å²	82	45.3 Å²	45.3	44%	0.439	23%	0.23	S	C	.	.	H	α-helix	trans	-61.8	-28.3	174.9	-63	-7.1	0	0	0	111.2	G195 P259 M260 G261	D191-G195 WeakPolarHBondContact O-CA 3.45Å; D191-G195 PolarHBondContact O-N 3.37Å; D191-P259 VanDerWaalsContact OD1-C 3.32Å; D191-P259 WeakPolarHBondContact OD1-CB 3.48Å; D191-M260 PolarHBondContact OD1-N 3.33Å; D191-G261 VanDerWaalsContact CG-N 3.35Å; D191-G261 PolarHBondContact N-O 3.49Å; D191-G261 PolarHBondContact OD1-N 3.5Å; D191-G261 WeakPolarHBondContact OD2-CA 3.48Å
192	A	86.8	Confident	88.1	Confident	59 Å²	59	41 Å²	41	49%	0.488	21%	0.211	S	C	.	.	H	α-helix	trans	-70.4	-36	176.6	0	0	0	0	0	112.7	S190 R198	S190-A192 PolarHBondContact O-N 3.49Å; A192-R198 PolarHBondContact O-NH1 3.38Å
193	N	89	Confident	88.2	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-80.2	-47.1	176.5	-172.6	38.7	0	0	0	112.1	D188 S190 G195 R198 F202 G288	D188-N193 HydrophobicContact CB-CB 4.39Å; D188-N193 PolarHBondContact O-ND2 2.93Å; S190-N193 PolarHBondContact O-N 2.96Å; S190-N193 VanDerWaalsContact O-N 3.13Å; S190-N193 PolarHBondContact OG-N 3.4Å; N193-G195 VanDerWaalsContact C-N 3.32Å; N193-G195 PolarHBondContact O-N 2.74Å; N193-R198 WeakPolarHBondContact O-CB 3.21Å; N193-R198 PolarHBondContact OD1-NH2 2.91Å; N193-F202 WeakPolarHBondContact ND2-CE1 3.18Å; N193-G288 WeakPolarHBondContact OD1-CA 3.47Å
194	L	88.3	Confident	88.2	Confident	11 Å²	11	45.2 Å²	45.2	6%	0.058	23%	0.229	C	C	.	.	H	α-helix	trans	-85.1	-3.3	-177.2	-62.1	179.3	0	0	0	113.4	S190 D199 F202 L257 I258 P259	S190-L194 PolarHBondContact O-N 3.39Å; L194-D199 HydrophobicContact CD2-CB 4.47Å; L194-F202 HydrophobicContact CD2-CD1 3.73Å; L194-F202 HydrophobicContact CD2-CE1 4.35Å; L194-L257 HydrophobicContact CD1-CG 4.26Å; L194-L257 HydrophobicContact CD2-CD2 4.48Å; L194-I258 VanDerWaalsContact CD1-C 3.46Å; L194-P259 HydrophobicContact CB-CB 4.2Å
195	G	78.9	Confident	88.2	Confident	19 Å²	19	46.2 Å²	46.2	20%	0.196	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	172.5	176.1	0	0	0	0	0	114.5	D191 N193 N197 R198	D191-G195 WeakPolarHBondContact O-CA 3.45Å; D191-G195 PolarHBondContact O-N 3.37Å; N193-G195 VanDerWaalsContact C-N 3.32Å; N193-G195 PolarHBondContact O-N 2.74Å; G195-N197 PolarHBondContact O-N 2.99Å; G195-R198 WeakPolarHBondContact O-CB 3.18Å; G195-R198 PolarHBondContact O-N 2.71Å
196	F	72.6	Confident	88.1	Confident	208 Å²	208	46.2 Å²	46.2	91%	0.912	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	46	168.1	-56.4	-82.8	0	0	0	115.7	R198	F196-R198 PolarHBondContact O-N 3.06Å
197	N	72.9	Confident	88	Confident	156 Å²	156	47.3 Å²	47.3	83%	0.834	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.2	7.3	-179.4	-63.8	-22.7	0	0	0	116.1	G195 D199	G195-N197 PolarHBondContact O-N 2.99Å; N197-D199 VanDerWaalsContact C-N 3.3Å
198	R	82.6	Confident	87.9	Confident	45 Å²	45	51.8 Å²	51.8	17%	0.17	26%	0.26	C	S	.	.	H	α-helix	trans	-71.2	-26.1	174.6	-66.7	177.5	74.9	-159.3	-2.4	112.6	A192 N193 G195 F196 K200 Q201 F202 G288 Y319 D320	A192-R198 PolarHBondContact O-NH1 3.38Å; N193-R198 WeakPolarHBondContact O-CB 3.21Å; N193-R198 PolarHBondContact OD1-NH2 2.91Å; G195-R198 WeakPolarHBondContact O-CB 3.18Å; G195-R198 PolarHBondContact O-N 2.71Å; F196-R198 PolarHBondContact O-N 3.06Å; R198-K200 PolarHBondContact O-N 3.35Å; R198-Q201 PolarHBondContact O-N 3.45Å; R198-F202 WeakPolarHBondContact O-CB 3.25Å; R198-F202 PolarHBondContact O-N 2.95Å; R198-G288 PolarHBondContact NH1-O 3.48Å; R198-G288 PolarHBondContact NH2-O 2.68Å; R198-Y319 PolarHBondContact NH2-O 3.31Å; R198-D320 IonicContact NE-OD2 3.94Å; R198-D320 PolarHBondContact NH2-O 3.34Å
199	D	84.5	Confident	87.8	Confident	47 Å²	47	51.8 Å²	51.8	25%	0.251	26%	0.26	S	S	.	.	H	α-helix	trans	-49.4	-52.6	179.3	-179.2	30.7	0	0	0	113.1	L194 N197 Q201 F202 K203	L194-D199 HydrophobicContact CD2-CB 4.47Å; N197-D199 VanDerWaalsContact C-N 3.3Å; D199-Q201 PolarHBondContact O-N 3.34Å; D199-F202 PolarHBondContact O-N 3.04Å; D199-K203 VanDerWaalsContact CG-NZ 3.31Å; D199-K203 WeakPolarHBondContact O-CB 3.45Å; D199-K203 WeakPolarHBondContact O-CG 2.9Å; D199-K203 PolarHBondContact O-N 2.93Å; D199-K203 WeakPolarHBondContact OD1-CD 3.29Å; D199-K203 WeakPolarHBondContact OD1-CE 3.43Å; D199-K203 IonicContact OD1-NZ 2.86Å; D199-K203 PolarHBondContact OD1-NZ 3.08Å; D199-K203 IonicContact OD2-NZ 2.96Å; D199-K203 PolarHBondContact OD2-NZ 3.44Å
200	K	86.7	Confident	87.7	Confident	144 Å²	144	52 Å²	52	63%	0.626	26%	0.261	S	S	*	.	H	α-helix	trans	-61.2	-47.8	-176.2	-172.2	-178.6	175	-170.8	0	111.6	R198 K203 E204	R198-K200 PolarHBondContact O-N 3.35Å; K200-K203 PolarHBondContact O-N 3.42Å; K200-E204 WeakPolarHBondContact CE-OE1 3.45Å; K200-E204 IonicContact NZ-OE1 3.93Å; K200-E204 WeakPolarHBondContact O-CB 3.2Å; K200-E204 VanDerWaalsContact O-CG 3.3Å; K200-E204 WeakPolarHBondContact O-CG 3.19Å; K200-E204 PolarHBondContact O-N 3.21Å
201	Q	88.1	Confident	87.6	Confident	59 Å²	59	56 Å²	56	28%	0.276	28%	0.282	S	S	.	.	H	α-helix	trans	-67.8	-39.9	-178.7	-169.8	-177.3	-1.5	0	0	111.5	R198 D199 E204 H205	R198-Q201 PolarHBondContact O-N 3.45Å; D199-Q201 PolarHBondContact O-N 3.34Å; Q201-E204 PolarHBondContact O-N 3.47Å; Q201-H205 PolarHBondContact NE2-CE1 3.01Å; Q201-H205 VanDerWaalsContact NE2-CE1 3.29Å; Q201-H205 PolarHBondContact O-CD2 3.43Å; Q201-H205 VanDerWaalsContact O-CG 3.29Å; Q201-H205 PolarHBondContact O-N 3.29Å
202	F	91.7	Very high	87.5	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.3	-46.7	177.2	-174.2	-129	0	0	0	111.6	N193 L194 R198 D199 E204 H205 L206 L257 V286 Y319	N193-F202 WeakPolarHBondContact ND2-CE1 3.18Å; L194-F202 HydrophobicContact CD2-CD1 3.73Å; L194-F202 HydrophobicContact CD2-CE1 4.35Å; R198-F202 WeakPolarHBondContact O-CB 3.25Å; R198-F202 PolarHBondContact O-N 2.95Å; D199-F202 PolarHBondContact O-N 3.04Å; F202-E204 PolarHBondContact O-N 3.46Å; F202-H205 PolarHBondContact O-N 3.22Å; F202-L206 HydrophobicContact CD1-CD1 3.92Å; F202-L206 HydrophobicContact CD2-CD1 4.28Å; F202-L206 HydrophobicContact CD2-CG 4.31Å; F202-L206 HydrophobicContact CE1-CD1 3.66Å; F202-L206 HydrophobicContact CE2-CD1 4.05Å; F202-L206 HydrophobicContact CE2-CD2 4.37Å; F202-L206 HydrophobicContact CE2-CG 4.15Å; F202-L206 HydrophobicContact CG-CD1 4.24Å; F202-L206 HydrophobicContact CZ-CD1 3.74Å; F202-L206 HydrophobicContact CZ-CD2 4.48Å; F202-L206 HydrophobicContact CZ-CG 4.31Å; F202-L206 WeakPolarHBondContact O-CB 3.17Å; F202-L206 VanDerWaalsContact O-CG 3.26Å; F202-L206 WeakPolarHBondContact O-CG 3.32Å; F202-L206 PolarHBondContact O-N 2.86Å; F202-L257 HydrophobicContact CD1-CD2 4.13Å; F202-L257 HydrophobicContact CE1-CD2 4.04Å; F202-V286 HydrophobicContact CE2-CG1 3.6Å; F202-V286 HydrophobicContact CZ-CB 4.46Å; F202-V286 HydrophobicContact CZ-CG1 3.84Å; F202-Y319 WeakPolarHBondContact CA-OH 3.39Å; F202-Y319 HydrophobicContact CB-CE1 4.03Å; F202-Y319 AromaticContact CD2-CD1 3.56Å; F202-Y319 HydrophobicContact CD2-CD1 3.56Å; F202-Y319 HydrophobicContact CD2-CD2 4.12Å; F202-Y319 AromaticContact CD2-CE1 3.36Å; F202-Y319 HydrophobicContact CD2-CE1 3.36Å; F202-Y319 AromaticContact CD2-CE2 3.92Å; F202-Y319 HydrophobicContact CD2-CE2 3.92Å; F202-Y319 AromaticContact CD2-CG 3.96Å; F202-Y319 HydrophobicContact CD2-CG 3.96Å; F202-Y319 AromaticContact CD2-CZ 3.56Å; F202-Y319 AromaticContact CE2-CD1 3.85Å; F202-Y319 HydrophobicContact CE2-CD1 3.85Å; F202-Y319 HydrophobicContact CE2-CD2 4.19Å; F202-Y319 HydrophobicContact CE2-CE1 4.13Å; F202-Y319 HydrophobicContact CE2-CE2 4.42Å; F202-Y319 AromaticContact CE2-CG 3.9Å; F202-Y319 HydrophobicContact CE2-CG 3.9Å; F202-Y319 HydrophobicContact CG-CD1 4.47Å; F202-Y319 HydrophobicContact CG-CE1 4.06Å
203	K	92.1	Very high	87.5	Confident	29 Å²	29	52.2 Å²	52.2	13%	0.126	25%	0.252	C	S	.	.	H	α-helix	trans	-62.2	-41	175.6	-73	177.4	173.9	157.7	0	112.4	D199 K200 L206 I207 I253 L257	D199-K203 VanDerWaalsContact CG-NZ 3.31Å; D199-K203 WeakPolarHBondContact O-CB 3.45Å; D199-K203 WeakPolarHBondContact O-CG 2.9Å; D199-K203 PolarHBondContact O-N 2.93Å; D199-K203 WeakPolarHBondContact OD1-CD 3.29Å; D199-K203 WeakPolarHBondContact OD1-CE 3.43Å; D199-K203 IonicContact OD1-NZ 2.86Å; D199-K203 PolarHBondContact OD1-NZ 3.08Å; D199-K203 IonicContact OD2-NZ 2.96Å; D199-K203 PolarHBondContact OD2-NZ 3.44Å; K200-K203 PolarHBondContact O-N 3.42Å; K203-L206 PolarHBondContact O-N 3.32Å; K203-I207 WeakPolarHBondContact O-CD1 3.39Å; K203-I207 VanDerWaalsContact O-CG1 3.23Å; K203-I207 WeakPolarHBondContact O-CG1 3.47Å; K203-I207 PolarHBondContact O-N 3.5Å; K203-I253 HydrophobicContact CB-CG2 4.06Å; K203-I253 VanDerWaalsContact CD-O 3.26Å; K203-I253 WeakPolarHBondContact CD-O 3.45Å; K203-I253 WeakPolarHBondContact CE-O 2.97Å; K203-I253 HydrophobicContact CG-CG2 4.05Å; K203-I253 WeakPolarHBondContact CG-O 3.33Å; K203-L257 WeakPolarHBondContact CE-O 2.98Å; K203-L257 HydrophobicContact CG-CD2 4.37Å; K203-L257 PolarHBondContact NZ-O 3.4Å
204	E	91.3	Very high	87.3	Confident	88 Å²	88	52.2 Å²	52.2	41%	0.411	25%	0.252	S	S	.	.	H	α-helix	trans	-62	-51.3	176.3	-77.7	171.5	174	0	0	111.5	K200 Q201 F202 L206 I207 E208	K200-E204 WeakPolarHBondContact CE-OE1 3.45Å; K200-E204 IonicContact NZ-OE1 3.93Å; K200-E204 WeakPolarHBondContact O-CB 3.2Å; K200-E204 VanDerWaalsContact O-CG 3.3Å; K200-E204 WeakPolarHBondContact O-CG 3.19Å; K200-E204 PolarHBondContact O-N 3.21Å; Q201-E204 PolarHBondContact O-N 3.47Å; F202-E204 PolarHBondContact O-N 3.46Å; E204-L206 VanDerWaalsContact C-N 3.31Å; E204-L206 PolarHBondContact O-N 3.09Å; E204-I207 PolarHBondContact O-N 3.43Å; E204-I207 VanDerWaalsContact O-N 3.1Å; E204-E208 WeakPolarHBondContact O-CG 3.48Å; E204-E208 PolarHBondContact O-N 2.91Å
205	H	92.9	Very high	87	Confident	21 Å²	21	52.8 Å²	52.8	10%	0.097	26%	0.256	C	S	.	.	H	α-helix	trans	-61.3	-38.6	177.6	-67.3	-177.7	0	0	0	112.1	I174 F175 Q201 F202 E208 L209 Y319 Y345	I174-H205 HydrophobicContact CD1-CB 4.37Å; I174-H205 HydrophobicContact CG2-CB 4.4Å; F175-H205 HydrophobicContact CE2-CB 3.88Å; F175-H205 VanDerWaalsContact CE2-O 3.3Å; F175-H205 WeakPolarHBondContact CE2-O 3.33Å; F175-H205 HydrophobicContact CZ-CB 3.8Å; Q201-H205 PolarHBondContact NE2-CE1 3.01Å; Q201-H205 VanDerWaalsContact NE2-CE1 3.29Å; Q201-H205 PolarHBondContact O-CD2 3.43Å; Q201-H205 VanDerWaalsContact O-CG 3.29Å; Q201-H205 PolarHBondContact O-N 3.29Å; F202-H205 PolarHBondContact O-N 3.22Å; H205-E208 PolarHBondContact O-N 3.13Å; H205-L209 WeakPolarHBondContact O-CB 3.48Å; H205-L209 PolarHBondContact O-N 2.87Å; H205-Y319 HydrophobicContact CB-CE2 4.37Å; H205-Y319 AromaticContact ND1-CE2 3.5Å; H205-Y319 AromaticContact ND1-CZ 3.66Å; H205-Y319 PolarHBondContact ND1-OH 3.04Å; H205-Y345 PolarHBondContact CE1-OH 2.95Å
206	L	93.8	Very high	86.7	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-66.3	-35.7	175.3	-73.6	174.2	0	0	0	112.4	F175 L187 F202 K203 E204 L209 V210 I253 L257	F175-L206 HydrophobicContact CE1-CD2 3.9Å; F175-L206 HydrophobicContact CZ-CD2 3.93Å; F175-L206 HydrophobicContact CZ-CG 4.36Å; L187-L206 HydrophobicContact CD1-CD1 3.98Å; L187-L206 HydrophobicContact CD2-CD1 4.12Å; L187-L206 HydrophobicContact CD2-CD2 3.73Å; F202-L206 HydrophobicContact CD1-CD1 3.92Å; F202-L206 HydrophobicContact CD2-CD1 4.28Å; F202-L206 HydrophobicContact CD2-CG 4.31Å; F202-L206 HydrophobicContact CE1-CD1 3.66Å; F202-L206 HydrophobicContact CE2-CD1 4.05Å; F202-L206 HydrophobicContact CE2-CD2 4.37Å; F202-L206 HydrophobicContact CE2-CG 4.15Å; F202-L206 HydrophobicContact CG-CD1 4.24Å; F202-L206 HydrophobicContact CZ-CD1 3.74Å; F202-L206 HydrophobicContact CZ-CD2 4.48Å; F202-L206 HydrophobicContact CZ-CG 4.31Å; F202-L206 WeakPolarHBondContact O-CB 3.17Å; F202-L206 VanDerWaalsContact O-CG 3.26Å; F202-L206 WeakPolarHBondContact O-CG 3.32Å; F202-L206 PolarHBondContact O-N 2.86Å; K203-L206 PolarHBondContact O-N 3.32Å; E204-L206 VanDerWaalsContact C-N 3.31Å; E204-L206 PolarHBondContact O-N 3.09Å; L206-L209 HydrophobicContact CD2-CD2 4.35Å; L206-L209 WeakPolarHBondContact O-CB 3.5Å; L206-L209 PolarHBondContact O-N 2.8Å; L206-V210 VanDerWaalsContact O-CG2 3.28Å; L206-V210 WeakPolarHBondContact O-CG2 3.25Å; L206-V210 PolarHBondContact O-N 3.14Å; L206-V210 VanDerWaalsContact O-N 3.08Å; L206-I253 HydrophobicContact CB-CD1 4.06Å; L206-I253 HydrophobicContact CB-CG2 3.96Å; L206-I253 HydrophobicContact CD1-CG2 4.26Å; L206-L257 HydrophobicContact CD1-CD2 4.06Å
207	I	92.8	Very high	87	Confident	24 Å²	24	49.9 Å²	49.9	12%	0.123	25%	0.251	C	S	.	.	H	α-helix	trans	-67.3	-40.6	174.1	-71.1	162.9	0	0	0	110.5	K203 E204 L209 V210 N211 I253 R254	K203-I207 WeakPolarHBondContact O-CD1 3.39Å; K203-I207 VanDerWaalsContact O-CG1 3.23Å; K203-I207 WeakPolarHBondContact O-CG1 3.47Å; K203-I207 PolarHBondContact O-N 3.5Å; E204-I207 PolarHBondContact O-N 3.43Å; E204-I207 VanDerWaalsContact O-N 3.1Å; I207-L209 VanDerWaalsContact C-N 3.34Å; I207-V210 PolarHBondContact O-N 3.08Å; I207-N211 PolarHBondContact O-N 3.38Å; I207-N211 PolarHBondContact O-ND2 2.74Å; I207-I253 HydrophobicContact CG1-CG2 4.15Å; I207-R254 HydrophobicContact CD1-CG 3.81Å
208	E	92	Very high	87.2	Confident	94 Å²	94	48.4 Å²	48.4	44%	0.439	23%	0.233	S	C	.	.	H	α-helix	trans	-61.1	-43.5	173.9	-70.2	173.1	178.1	0	0	111.2	T171 E204 H205 V210 N211 E212	T171-E208 VanDerWaalsContact CG2-C 3.43Å; T171-E208 HydrophobicContact CG2-CB 3.65Å; E204-E208 WeakPolarHBondContact O-CG 3.48Å; E204-E208 PolarHBondContact O-N 2.91Å; H205-E208 PolarHBondContact O-N 3.13Å; E208-V210 VanDerWaalsContact C-N 3.26Å; E208-V210 PolarHBondContact O-N 3.2Å; E208-N211 PolarHBondContact O-N 3.39Å; E208-E212 PolarHBondContact O-N 2.88Å
209	L	92.6	Very high	87.3	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-55.3	-43.2	174.1	-172.5	63.6	0	0	0	112.1	F175 I178 H205 L206 I207 N211 Q213 I214	F175-L209 HydrophobicContact CB-CD1 3.79Å; F175-L209 HydrophobicContact CB-CD2 4.36Å; F175-L209 HydrophobicContact CD1-CD2 4Å; F175-L209 HydrophobicContact CD2-CB 3.98Å; F175-L209 HydrophobicContact CD2-CD1 3.52Å; F175-L209 HydrophobicContact CD2-CD2 3.96Å; F175-L209 HydrophobicContact CD2-CG 4.03Å; F175-L209 HydrophobicContact CE1-CD2 4.25Å; F175-L209 HydrophobicContact CE2-CB 3.86Å; F175-L209 HydrophobicContact CE2-CD1 4.27Å; F175-L209 HydrophobicContact CE2-CD2 4.19Å; F175-L209 HydrophobicContact CE2-CG 4.34Å; F175-L209 HydrophobicContact CG-CD1 3.79Å; F175-L209 HydrophobicContact CG-CD2 3.84Å; F175-L209 HydrophobicContact CG-CG 4.3Å; F175-L209 HydrophobicContact CZ-CB 4.5Å; F175-L209 HydrophobicContact CZ-CD2 4.33Å; I178-L209 HydrophobicContact CD1-CD1 3.4Å; I178-L209 HydrophobicContact CD1-CD2 3.93Å; I178-L209 HydrophobicContact CD1-CG 3.92Å; H205-L209 WeakPolarHBondContact O-CB 3.48Å; H205-L209 PolarHBondContact O-N 2.87Å; L206-L209 HydrophobicContact CD2-CD2 4.35Å; L206-L209 WeakPolarHBondContact O-CB 3.5Å; L206-L209 PolarHBondContact O-N 2.8Å; I207-L209 VanDerWaalsContact C-N 3.34Å; L209-N211 VanDerWaalsContact C-N 3.31Å; L209-Q213 HydrophobicContact CD1-CB 4.23Å; L209-Q213 HydrophobicContact CD1-CG 4.45Å; L209-Q213 PolarHBondContact O-N 2.92Å; L209-I214 HydrophobicContact CD2-CD1 3.93Å; L209-I214 HydrophobicContact CG-CD1 3.98Å; L209-I214 HydrophobicContact CG-CG1 4.3Å; L209-I214 PolarHBondContact O-N 3.46Å
210	V	91.4	Very high	87.4	Confident	3 Å²	3	50 Å²	50	2%	0.018	24%	0.24	C	C	.	.	H	α-helix	trans	-69.4	-28.5	177.1	177.2	0	0	0	0	112.6	L206 I207 E208 I214 I246 L249 K250 I253	L206-V210 VanDerWaalsContact O-CG2 3.28Å; L206-V210 WeakPolarHBondContact O-CG2 3.25Å; L206-V210 PolarHBondContact O-N 3.14Å; L206-V210 VanDerWaalsContact O-N 3.08Å; I207-V210 PolarHBondContact O-N 3.08Å; E208-V210 VanDerWaalsContact C-N 3.26Å; E208-V210 PolarHBondContact O-N 3.2Å; V210-I214 CarbonylContact O-C 3.53Å; V210-I246 HydrophobicContact CG1-CG2 3.58Å; V210-L249 HydrophobicContact CG1-CD2 4.42Å; V210-L249 HydrophobicContact CG2-CD2 3.64Å; V210-L249 HydrophobicContact CG2-CG 4.18Å; V210-K250 HydrophobicContact CG1-CD 4.47Å; V210-K250 HydrophobicContact CG1-CG 4.02Å; V210-I253 HydrophobicContact CG2-CD1 4Å
211	N	89.2	Confident	87.6	Confident	86 Å²	86	44.6 Å²	44.6	46%	0.46	22%	0.219	S	C	.	.	H	α-helix	trans	-81.7	-33	177.4	-67.3	-30.7	0	0	0	113.1	I207 E208 L209 T215 K250	I207-N211 PolarHBondContact O-N 3.38Å; I207-N211 PolarHBondContact O-ND2 2.74Å; E208-N211 PolarHBondContact O-N 3.39Å; L209-N211 VanDerWaalsContact C-N 3.31Å; N211-T215 VanDerWaalsContact O-CG2 3.23Å; N211-T215 WeakPolarHBondContact O-CG2 3.49Å; N211-K250 WeakPolarHBondContact OD1-CE 3.31Å; N211-K250 PolarHBondContact OD1-NZ 3.5Å
212	E	86.7	Confident	87.8	Confident	53 Å²	53	41.8 Å²	41.8	25%	0.248	21%	0.206	C	C	.	.	H	α-helix	trans	-96.6	-47.6	-173.8	-168.2	-168.8	156.2	0	0	113.2	D170 T171 K172 E208	D170-E212 WeakPolarHBondContact CB-OE2 3.33Å; T171-E212 WeakPolarHBondContact CB-OE2 3.38Å; T171-E212 HydrophobicContact CG2-CB 4.16Å; T171-E212 WeakPolarHBondContact CG2-OE2 3.49Å; T171-E212 PolarHBondContact N-OE2 3.38Å; T171-E212 PolarHBondContact OG1-OE2 2.9Å; K172-E212 IonicContact NZ-OE1 3.65Å; K172-E212 PolarHBondContact NZ-OE1 3.39Å; E208-E212 PolarHBondContact O-N 2.88Å
213	Q	87.4	Confident	87.9	Confident	8 Å²	8	41.8 Å²	41.8	4%	0.037	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-37	-169.6	-59.8	-166	60.8	0	0	114.3	T171 G176 I178 L209 T215	T171-Q213 PolarHBondContact OG1-NE2 3.47Å; G176-Q213 PolarHBondContact O-NE2 3.11Å; G176-Q213 PolarHBondContact O-OE1 2.96Å; I178-Q213 HydrophobicContact CB-CB 4.47Å; I178-Q213 HydrophobicContact CD1-CB 4.43Å; L209-Q213 HydrophobicContact CD1-CB 4.23Å; L209-Q213 HydrophobicContact CD1-CG 4.45Å; L209-Q213 PolarHBondContact O-N 2.92Å; Q213-T215 PolarHBondContact O-N 3.43Å
214	I	85.6	Confident	88	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-95.8	64.2	180	-53.7	175.7	0	0	0	109.4	I178 L185 L209 V210 L219 L222 I246	I178-I214 HydrophobicContact CD1-CD1 4.35Å; I178-I214 HydrophobicContact CD1-CG1 4.26Å; L185-I214 HydrophobicContact CD2-CD1 4.28Å; L209-I214 HydrophobicContact CD2-CD1 3.93Å; L209-I214 HydrophobicContact CG-CD1 3.98Å; L209-I214 HydrophobicContact CG-CG1 4.3Å; L209-I214 PolarHBondContact O-N 3.46Å; V210-I214 CarbonylContact O-C 3.53Å; I214-L219 HydrophobicContact CB-CD1 4.09Å; I214-L219 HydrophobicContact CG2-CD1 3.32Å; I214-L222 HydrophobicContact CG2-CD1 4.1Å; I214-L222 HydrophobicContact CG2-CD2 4.32Å; I214-I246 HydrophobicContact CG2-CD1 4.3Å; I214-I246 WeakPolarHBondContact O-CD1 3.48Å
215	T	80.7	Confident	88.1	Confident	23 Å²	23	36.2 Å²	36.2	14%	0.141	18%	0.18	C	C	.	.			trans	-103.1	152.6	-176.6	57	0	0	0	0	111.9	N211 Q213 D217 R218 L219	N211-T215 VanDerWaalsContact O-CG2 3.23Å; N211-T215 WeakPolarHBondContact O-CG2 3.49Å; Q213-T215 PolarHBondContact O-N 3.43Å; T215-D217 WeakPolarHBondContact CB-OD1 3.18Å; T215-D217 PolarHBondContact O-N 3.32Å; T215-D217 PolarHBondContact OG1-OD1 3.28Å; T215-R218 PolarHBondContact O-N 2.92Å; T215-R218 VanDerWaalsContact O-N 3.08Å; T215-R218 WeakPolarHBondContact OG1-CG 3.22Å; T215-L219 PolarHBondContact O-N 3.26Å
216	A	73.7	Confident	88.2	Confident	37 Å²	37	35.2 Å²	35.2	31%	0.306	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-19	-175.4	0	0	0	0	0	113.9	I246	A216-I246 HydrophobicContact CB-CG1 4.26Å
217	D	78.9	Confident	88.2	Confident	130 Å²	130	35.1 Å²	35.1	70%	0.695	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-17.5	175	61.8	-50.9	0	0	0	113.4	T215	T215-D217 WeakPolarHBondContact CB-OD1 3.18Å; T215-D217 PolarHBondContact O-N 3.32Å; T215-D217 PolarHBondContact OG1-OD1 3.28Å
218	R	76.7	Confident	88.2	Confident	124 Å²	124	34 Å²	34	47%	0.468	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-20.2	-176.7	-64.4	-176.6	-178.4	-167.5	3.4	113.9	T215	T215-R218 PolarHBondContact O-N 2.92Å; T215-R218 VanDerWaalsContact O-N 3.08Å; T215-R218 WeakPolarHBondContact OG1-CG 3.22Å
219	L	84.7	Confident	88.1	Confident	12 Å²	12	33.2 Å²	33.2	6%	0.063	17%	0.171	C	C	.	.			trans	-114.8	145.5	-170.7	-58.1	-179.6	0	0	0	112.4	G180 I183 I214 T215 A241	G180-L219 WeakPolarHBondContact O-CD2 3.04Å; I183-L219 HydrophobicContact CD1-CD1 4.32Å; I183-L219 HydrophobicContact CD1-CD2 3.3Å; I183-L219 HydrophobicContact CD1-CG 4.46Å; I183-L219 HydrophobicContact CG1-CD2 3.75Å; I214-L219 HydrophobicContact CB-CD1 4.09Å; I214-L219 HydrophobicContact CG2-CD1 3.32Å; T215-L219 PolarHBondContact O-N 3.26Å; L219-A241 HydrophobicContact CB-CB 3.52Å; L219-A241 WeakPolarHBondContact O-CB 3.44Å
220	K	87.1	Confident	88	Confident	115 Å²	115	38.4 Å²	38.4	50%	0.5	20%	0.199	S	C	.	.	S	Bend	trans	-101	-46.9	169.6	-72.4	179.6	-177.8	159.9	0	111.3	E181 C240 A241	E181-K220 HydrophobicContact CB-CB 4.24Å; E181-K220 HydrophobicContact CB-CD 4.2Å; E181-K220 HydrophobicContact CB-CG 4.13Å; E181-K220 PolarHBondContact O-N 2.91Å; E181-K220 IonicContact OE1-NZ 3.47Å; E181-K220 PolarHBondContact OE1-NZ 3.27Å; E181-K220 VanDerWaalsContact OE2-CD 3.27Å; E181-K220 WeakPolarHBondContact OE2-CD 3.45Å; E181-K220 WeakPolarHBondContact OE2-CE 3.02Å; E181-K220 IonicContact OE2-NZ 2.64Å; E181-K220 PolarHBondContact OE2-NZ 2.9Å; K220-C240 CarbonylContact O-C 3.59Å; K220-C240 VanDerWaalsContact O-CA 3.31Å; K220-C240 WeakPolarHBondContact O-CA 3.5Å; K220-A241 PolarHBondContact O-N 3.07Å
221	T	90	Very high	88	Confident	29 Å²	29	40.6 Å²	40.6	18%	0.178	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	145.7	178.1	67.7	0	0	0	0	112.4	E181 N182 I183 M239	E181-T221 PolarHBondContact O-N 2.68Å; E181-T221 VanDerWaalsContact O-N 3.09Å; N182-T221 WeakPolarHBondContact CA-O 3.29Å; N182-T221 VanDerWaalsContact CA-OG1 3.3Å; N182-T221 WeakPolarHBondContact CA-OG1 3.38Å; N182-T221 WeakPolarHBondContact CB-OG1 3.43Å; N182-T221 WeakPolarHBondContact OD1-CB 3.09Å; N182-T221 WeakPolarHBondContact OD1-CG2 3.36Å; N182-T221 PolarHBondContact OD1-N 3.44Å; N182-T221 PolarHBondContact OD1-OG1 3.27Å; I183-T221 PolarHBondContact N-O 2.89Å; T221-M239 CarbonylContact C-O 3.48Å; T221-M239 VanDerWaalsContact CA-O 3.24Å; T221-M239 WeakPolarHBondContact CA-O 3.34Å
222	L	92	Very high	88.2	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	131.5	-178.6	-177.9	65	0	0	0	109.5	I183 I214 V224 W235 M239 I246 L249	I183-L222 HydrophobicContact CB-CD1 4.4Å; I183-L222 HydrophobicContact CG2-CD1 4.4Å; I183-L222 CarbonylContact O-C 3.48Å; I183-L222 VanDerWaalsContact O-CA 3.31Å; I183-L222 WeakPolarHBondContact O-CA 3.26Å; I214-L222 HydrophobicContact CG2-CD1 4.1Å; I214-L222 HydrophobicContact CG2-CD2 4.32Å; L222-V224 HydrophobicContact CD1-CG2 4.07Å; L222-V224 HydrophobicContact CD2-CG2 4.32Å; L222-V224 HydrophobicContact CG-CG2 3.91Å; L222-W235 HydrophobicContact CD2-CH2 4.22Å; L222-W235 HydrophobicContact CD2-CZ3 4.27Å; L222-W235 HydrophobicContact CG-CZ3 4.19Å; L222-M239 PolarHBondContact N-O 2.79Å; L222-M239 PolarHBondContact O-N 3.39Å; L222-I246 HydrophobicContact CD2-CD1 4.04Å; L222-L249 HydrophobicContact CD2-CD2 3.9Å
223	Y	94.1	Very high	88.5	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	129.9	173.5	-171.2	-123.4	0	0	0	109.7	I183 G184 L185 W235 P238 H271 M272 F275 L280	I183-Y223 PolarHBondContact O-N 3.22Å; G184-Y223 CarbonylContact C-O 3.53Å; G184-Y223 VanDerWaalsContact CA-O 3.27Å; G184-Y223 WeakPolarHBondContact CA-O 3.44Å; L185-Y223 PolarHBondContact N-O 2.87Å; Y223-W235 WeakPolarHBondContact CE2-O 3.45Å; Y223-P238 HydrophobicContact CD2-CG 4.2Å; Y223-P238 HydrophobicContact CG-CG 4.16Å; Y223-H271 PolarHBondContact OH-NE2 3.03Å; Y223-M272 HydrophobicContact CD1-CE 3.56Å; Y223-M272 HydrophobicContact CD1-SD 3.79Å; Y223-M272 HydrophobicContact CE1-CE 3.29Å; Y223-M272 HydrophobicContact CE1-SD 4.1Å; Y223-F275 HydrophobicContact CE1-CB 3.86Å; Y223-F275 WeakPolarHBondContact OH-CB 3.36Å; Y223-L280 HydrophobicContact CD1-CD1 4.36Å
224	V	94.2	Very high	88.7	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	131.9	-173	-173.1	0	0	0	0	110.7	L185 L222 L234 W235 L249 F252	L185-V224 HydrophobicContact CB-CG1 4.33Å; L185-V224 HydrophobicContact CB-CG2 4.14Å; L185-V224 HydrophobicContact CD2-CG1 4.32Å; L185-V224 WeakPolarHBondContact O-CA 3.48Å; L222-V224 HydrophobicContact CD1-CG2 4.07Å; L222-V224 HydrophobicContact CD2-CG2 4.32Å; L222-V224 HydrophobicContact CG-CG2 3.91Å; V224-L234 HydrophobicContact CB-CB 4.25Å; V224-L234 HydrophobicContact CB-CD2 4.38Å; V224-L234 PolarHBondContact O-N 2.77Å; V224-W235 HydrophobicContact CG2-CZ3 4.06Å; V224-L249 HydrophobicContact CB-CD1 4.25Å; V224-L249 HydrophobicContact CG1-CD1 3.79Å; V224-L249 HydrophobicContact CG2-CD1 3.88Å; V224-L249 HydrophobicContact CG2-CD2 4.29Å; V224-F252 HydrophobicContact CG1-CD1 4.28Å; V224-F252 HydrophobicContact CG1-CE1 4.15Å
225	A	94.4	Very high	89	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	157.9	166.2	0	0	0	0	0	111.5	L185 L186 L187 I231 N232 M272	L185-A225 PolarHBondContact O-N 2.75Å; L186-A225 WeakPolarHBondContact CA-O 3.41Å; L186-A225 HydrophobicContact CD1-CB 4.4Å; L187-A225 PolarHBondContact N-O 3.29Å; A225-I231 HydrophobicContact CB-CG2 4.13Å; A225-N232 CarbonylContact C-O 3.57Å; A225-N232 VanDerWaalsContact CA-O 3.29Å; A225-N232 WeakPolarHBondContact CA-O 3.35Å; A225-M272 HydrophobicContact CB-CE 3.37Å
226	S	94.4	Very high	89.3	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	152.8	166.5	71.9	0	0	0	0	111.1	L187 S189 I231 N232	L187-S226 CarbonylContact O-C 3.55Å; L187-S226 WeakPolarHBondContact O-CA 3.46Å; L187-S226 WeakPolarHBondContact O-CB 3.13Å; S189-S226 WeakPolarHBondContact OG-CB 3.15Å; S189-S226 PolarHBondContact OG-OG 3.46Å; S226-I231 WeakPolarHBondContact O-CA 3.36Å; S226-N232 PolarHBondContact N-O 2.83Å; S226-N232 PolarHBondContact O-N 2.86Å
227	Y	94.2	Very high	90	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	132.3	176.8	70	-81.1	0	0	0	111	L186 L187 D188 S189 L265 C287	L186-Y227 HydrophobicContact CD1-CD1 3.63Å; L186-Y227 HydrophobicContact CD1-CE1 4.45Å; L186-Y227 HydrophobicContact CD1-CG 4.36Å; L186-Y227 HydrophobicContact CD2-CD1 4.13Å; L186-Y227 HydrophobicContact CD2-CE1 4.34Å; L186-Y227 HydrophobicContact CG-CD1 3.56Å; L186-Y227 HydrophobicContact CG-CE1 3.89Å; L187-Y227 WeakPolarHBondContact O-CD1 3.31Å; L187-Y227 PolarHBondContact O-N 2.88Å; D188-Y227 HydrophobicContact CB-CE1 3.97Å; D188-Y227 HydrophobicContact CB-CE2 4.39Å; S189-Y227 PolarHBondContact N-O 2.88Å; S189-Y227 VanDerWaalsContact OG-C 3.22Å; S189-Y227 PolarHBondContact OG-O 3.19Å; S189-Y227 VanDerWaalsContact OG-O 3.11Å; Y227-L265 HydrophobicContact CE1-CD1 4.25Å; Y227-L265 HydrophobicContact CE2-CB 3.96Å; Y227-L265 HydrophobicContact CE2-CD1 4.11Å; Y227-C287 PolarHBondContact OH-SG 3.19Å
228	G	91.7	Very high	90.5	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.01	21%	0.214	C	C	.	.	S	Bend	trans	-129.5	-127.5	161.7	0	0	0	0	0	108.6	N230 M260 G262 N264	G228-N230 PolarHBondContact N-O 3.1Å; G228-M260 CarbonylContact C-O 3.43Å; G228-M260 WeakPolarHBondContact CA-O 3.38Å; G228-G262 CarbonylContact C-O 3.27Å; G228-G262 WeakPolarHBondContact CA-O 3.43Å; G228-N264 WeakPolarHBondContact O-CB 3.39Å; G228-N264 PolarHBondContact O-N 3Å
229	T	90.9	Very high	91.1	Very high	76 Å²	76	38.9 Å²	38.9	47%	0.466	20%	0.204	S	C	.	.	S	Bend	trans	-61.2	-39.2	163.5	-55.8	0	0	0	0	110.7	M260 G262	T229-M260 PolarHBondContact N-O 3.13Å; T229-M260 PolarHBondContact OG1-O 3.29Å; T229-G262 PolarHBondContact N-O 3.22Å; T229-G262 VanDerWaalsContact N-O 3.1Å; T229-G262 PolarHBondContact OG1-N 3.33Å
230	N	90.6	Very high	91.3	Very high	110 Å²	110	42.4 Å²	42.4	59%	0.588	23%	0.229	S	C	*	.	S	Bend	trans	-116.6	160.3	176.5	-64.5	-41.1	0	0	0	110.3	G228 M260	G228-N230 PolarHBondContact N-O 3.1Å; N230-M260 HydrophobicContact CB-CE 3.77Å
231	I	91.5	Very high	91.2	Very high	49 Å²	49	37.4 Å²	37.4	25%	0.251	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	138.1	176.2	-61.7	147.4	0	0	0	109.4	A225 S226 S267 H271	A225-I231 HydrophobicContact CB-CG2 4.13Å; S226-I231 WeakPolarHBondContact O-CA 3.36Å; I231-S267 WeakPolarHBondContact CD1-O 3.48Å; I231-S267 WeakPolarHBondContact CD1-OG 3.43Å; I231-H271 HydrophobicContact CD1-CB 3.62Å; I231-H271 HydrophobicContact CG1-CB 4.46Å; I231-H271 HydrophobicContact CG2-CB 4.29Å
232	N	92.8	Very high	91.1	Very high	52 Å²	52	39.5 Å²	39.5	28%	0.278	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	108.4	173.1	-174.5	23.4	0	0	0	109.9	A225 S226 M260	A225-N232 CarbonylContact C-O 3.57Å; A225-N232 VanDerWaalsContact CA-O 3.29Å; A225-N232 WeakPolarHBondContact CA-O 3.35Å; S226-N232 PolarHBondContact N-O 2.83Å; S226-N232 PolarHBondContact O-N 2.86Å; N232-M260 HydrophobicContact CB-CE 4.27Å; N232-M260 HydrophobicContact CB-SD 4Å
233	S	92.5	Very high	90.9	Very high	42 Å²	42	44.3 Å²	44.3	29%	0.294	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	134	178.6	60.6	0	0	0	0	111.2	W235	S233-W235 WeakPolarHBondContact CB-O 3.45Å
234	L	92.5	Very high	90.7	Very high	33 Å²	33	52.9 Å²	52.9	17%	0.173	28%	0.281	C	S	.	.	S	Bend	trans	-65.1	-42.7	175.6	173.7	54.1	0	0	0	111.7	V224 L249 F252	V224-L234 HydrophobicContact CB-CB 4.25Å; V224-L234 HydrophobicContact CB-CD2 4.38Å; V224-L234 PolarHBondContact O-N 2.77Å; L234-L249 HydrophobicContact CD2-CB 4.24Å; L234-L249 HydrophobicContact CD2-CD1 4.3Å; L234-F252 HydrophobicContact CB-CD2 3.91Å; L234-F252 HydrophobicContact CB-CE2 4.14Å; L234-F252 HydrophobicContact CB-CG 4.17Å; L234-F252 HydrophobicContact CD1-CB 3.83Å; L234-F252 HydrophobicContact CD1-CD2 3.75Å; L234-F252 HydrophobicContact CD1-CG 4.02Å; L234-F252 HydrophobicContact CD2-CB 3.93Å; L234-F252 HydrophobicContact CD2-CG 4.19Å; L234-F252 HydrophobicContact CG-CB 4.36Å; L234-F252 HydrophobicContact CG-CD2 4.28Å; L234-F252 HydrophobicContact CG-CG 4.34Å
235	W	92.3	Very high	90.6	Very high	19 Å²	19	53 Å²	53	7%	0.072	28%	0.282	C	S	.	.	S	Bend	trans	-127.1	153.7	176.2	-54.4	-66.8	0	0	0	110.2	L222 Y223 V224 S233 Y237 M239 A245 E248	L222-W235 HydrophobicContact CD2-CH2 4.22Å; L222-W235 HydrophobicContact CD2-CZ3 4.27Å; L222-W235 HydrophobicContact CG-CZ3 4.19Å; Y223-W235 WeakPolarHBondContact CE2-O 3.45Å; V224-W235 HydrophobicContact CG2-CZ3 4.06Å; S233-W235 WeakPolarHBondContact CB-O 3.45Å; W235-Y237 VanDerWaalsContact C-N 3.28Å; W235-Y237 WeakPolarHBondContact CB-O 3.23Å; W235-Y237 PolarHBondContact O-N 3.22Å; W235-M239 HydrophobicContact CB-CG 3.93Å; W235-M239 HydrophobicContact CD2-CB 4.15Å; W235-M239 HydrophobicContact CD2-CG 3.52Å; W235-M239 HydrophobicContact CE3-CB 4.08Å; W235-M239 HydrophobicContact CE3-CG 3.89Å; W235-M239 HydrophobicContact CG-CG 3.54Å; W235-M239 HydrophobicContact CZ3-CB 4.38Å; W235-A245 HydrophobicContact CH2-CB 4.07Å; W235-A245 HydrophobicContact CZ2-CB 4.01Å; W235-E248 HydrophobicContact CZ2-CB 4.03Å; W235-E248 PolarHBondContact NE1-OE2 3.03Å
236	P	86.5	Confident	90.4	Very high	92 Å²	92	53.6 Å²	53.6	60%	0.597	29%	0.285	S	S	*	.	S	Bend	trans	-76	-13.2	176.6	25.9	-30.1	0	0	0	114
237	Y	87.9	Confident	90.3	Very high	120 Å²	120	57.7 Å²	57.7	47%	0.471	31%	0.307	S	S	.	.	S	Bend	trans	-148	159.2	178.4	49.5	-94.2	0	0	0	110.7	W235 M239	W235-Y237 VanDerWaalsContact C-N 3.28Å; W235-Y237 WeakPolarHBondContact CB-O 3.23Å; W235-Y237 PolarHBondContact O-N 3.22Å; Y237-M239 HydrophobicContact CD2-SD 3.91Å; Y237-M239 HydrophobicContact CE2-SD 3.35Å; Y237-M239 WeakPolarHBondContact CE2-SD 3.46Å; Y237-M239 PolarHBondContact O-N 3.41Å
238	P	89.2	Confident	90.2	Very high	13 Å²	13	60.5 Å²	60.5	8%	0.084	32%	0.32	C	S	.	.			trans	-56.8	132	174.9	-25.6	35	0	0	0	112.2	Y223 F275	Y223-P238 HydrophobicContact CD2-CG 4.2Å; Y223-P238 HydrophobicContact CG-CG 4.16Å; P238-F275 WeakPolarHBondContact CD-O 3.09Å
239	M	90.3	Very high	90.3	Very high	54 Å²	54	60.5 Å²	60.5	27%	0.266	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	152.2	-176.2	-72.1	-64.4	-73.5	0	0	111.4	T221 L222 W235 Y237 A241	T221-M239 CarbonylContact C-O 3.48Å; T221-M239 VanDerWaalsContact CA-O 3.24Å; T221-M239 WeakPolarHBondContact CA-O 3.34Å; L222-M239 PolarHBondContact N-O 2.79Å; L222-M239 PolarHBondContact O-N 3.39Å; W235-M239 HydrophobicContact CB-CG 3.93Å; W235-M239 HydrophobicContact CD2-CB 4.15Å; W235-M239 HydrophobicContact CD2-CG 3.52Å; W235-M239 HydrophobicContact CE3-CB 4.08Å; W235-M239 HydrophobicContact CE3-CG 3.89Å; W235-M239 HydrophobicContact CG-CG 3.54Å; W235-M239 HydrophobicContact CZ3-CB 4.38Å; Y237-M239 HydrophobicContact CD2-SD 3.91Å; Y237-M239 HydrophobicContact CE2-SD 3.35Å; Y237-M239 WeakPolarHBondContact CE2-SD 3.46Å; Y237-M239 PolarHBondContact O-N 3.41Å; M239-A241 PolarHBondContact O-N 2.76Å
240	C	88	Confident	90.4	Very high	85 Å²	85	59 Å²	59	57%	0.574	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.4	129.3	170.6	-176.6	0	0	0	0	110	K220 N242	K220-C240 CarbonylContact O-C 3.59Å; K220-C240 VanDerWaalsContact O-CA 3.31Å; K220-C240 WeakPolarHBondContact O-CA 3.5Å; C240-N242 PolarHBondContact O-N 3.45Å; C240-N242 VanDerWaalsContact O-N 3.09Å
241	A	85.4	Confident	90.5	Very high	10 Å²	10	60.1 Å²	60.1	8%	0.083	30%	0.304	C	S	.	.			trans	-72.6	104.9	-179.2	0	0	0	0	0	110	L219 K220 M239	L219-A241 HydrophobicContact CB-CB 3.52Å; L219-A241 WeakPolarHBondContact O-CB 3.44Å; K220-A241 PolarHBondContact O-N 3.07Å; M239-A241 PolarHBondContact O-N 2.76Å
242	N	88.1	Confident	90.6	Very high	74 Å²	74	57.8 Å²	57.8	40%	0.396	29%	0.292	S	S	.	.			trans	-132.8	168.9	173.4	63	35.2	0	0	0	109.4	C240 R244 A245 I246	C240-N242 PolarHBondContact O-N 3.45Å; C240-N242 VanDerWaalsContact O-N 3.09Å; N242-R244 PolarHBondContact O-N 3.24Å; N242-R244 WeakPolarHBondContact OD1-CA 3.41Å; N242-R244 WeakPolarHBondContact OD1-CB 3.38Å; N242-R244 PolarHBondContact OD1-N 3.36Å; N242-R244 VanDerWaalsContact OD1-N 3.14Å; N242-A245 PolarHBondContact O-N 3.34Å; N242-A245 PolarHBondContact OD1-N 3.49Å; N242-I246 WeakPolarHBondContact O-CG1 3.41Å; N242-I246 PolarHBondContact O-N 3.08Å
243	T	87.6	Confident	90.6	Very high	100 Å²	100	55.3 Å²	55.3	61%	0.613	28%	0.278	S	S	*	.	H	α-helix	trans	-53.9	-32.6	-178.1	-45.9	0	0	0	0	112.9	N247	T243-N247 WeakPolarHBondContact O-CB 2.8Å; T243-N247 PolarHBondContact O-N 3.34Å; T243-N247 PolarHBondContact O-ND2 3.14Å
244	R	90.6	Very high	90.6	Very high	181 Å²	181	59.8 Å²	59.8	68%	0.683	29%	0.289	S	S	*	.	H	α-helix	trans	-69	-48.8	176.3	178.5	179	175.3	158.8	2.7	111.8	N242 I246 N247 E248	N242-R244 PolarHBondContact O-N 3.24Å; N242-R244 WeakPolarHBondContact OD1-CA 3.41Å; N242-R244 WeakPolarHBondContact OD1-CB 3.38Å; N242-R244 PolarHBondContact OD1-N 3.36Å; N242-R244 VanDerWaalsContact OD1-N 3.14Å; R244-I246 VanDerWaalsContact C-N 3.28Å; R244-I246 PolarHBondContact O-N 3.22Å; R244-N247 PolarHBondContact O-N 3.43Å; R244-N247 VanDerWaalsContact O-N 3.12Å; R244-E248 HydrophobicContact CG-CG 4.48Å; R244-E248 WeakPolarHBondContact CG-OE1 3.41Å; R244-E248 IonicContact CZ-OE1 3.74Å; R244-E248 IonicContact NE-OE1 2.91Å; R244-E248 PolarHBondContact NE-OE1 2.92Å; R244-E248 IonicContact NH2-OE1 3.67Å; R244-E248 WeakPolarHBondContact O-CG 3.48Å; R244-E248 PolarHBondContact O-N 3.2Å
245	A	90.6	Very high	90.3	Very high	3 Å²	3	64 Å²	64	3%	0.025	31%	0.308	C	S	.	.	H	α-helix	trans	-60	-39.5	177	0	0	0	0	0	111.4	W235 N242 E248 L249	W235-A245 HydrophobicContact CH2-CB 4.07Å; W235-A245 HydrophobicContact CZ2-CB 4.01Å; N242-A245 PolarHBondContact O-N 3.34Å; N242-A245 PolarHBondContact OD1-N 3.49Å; A245-E248 PolarHBondContact O-N 2.94Å; A245-L249 WeakPolarHBondContact O-CB 2.98Å; A245-L249 PolarHBondContact O-N 3.17Å
246	I	91.6	Very high	90.2	Very high	11 Å²	11	67 Å²	67	6%	0.056	32%	0.322	C	S	.	.	H	α-helix	trans	-64.6	-40.1	174.5	-63.8	-55.5	0	0	0	111.7	V210 I214 A216 L222 N242 R244 L249 K250	V210-I246 HydrophobicContact CG1-CG2 3.58Å; I214-I246 HydrophobicContact CG2-CD1 4.3Å; I214-I246 WeakPolarHBondContact O-CD1 3.48Å; A216-I246 HydrophobicContact CB-CG1 4.26Å; L222-I246 HydrophobicContact CD2-CD1 4.04Å; N242-I246 WeakPolarHBondContact O-CG1 3.41Å; N242-I246 PolarHBondContact O-N 3.08Å; R244-I246 VanDerWaalsContact C-N 3.28Å; R244-I246 PolarHBondContact O-N 3.22Å; I246-L249 PolarHBondContact O-N 2.83Å; I246-K250 WeakPolarHBondContact O-CG 3.22Å; I246-K250 PolarHBondContact O-N 2.93Å
247	N	91.1	Very high	90.3	Very high	87 Å²	87	62.6 Å²	62.6	47%	0.465	29%	0.294	S	S	.	.	H	α-helix	trans	-70.2	-37.6	175.9	-72.6	-23.6	0	0	0	112.6	T243 R244 L249 K250 Y251	T243-N247 WeakPolarHBondContact O-CB 2.8Å; T243-N247 PolarHBondContact O-N 3.34Å; T243-N247 PolarHBondContact O-ND2 3.14Å; R244-N247 PolarHBondContact O-N 3.43Å; R244-N247 VanDerWaalsContact O-N 3.12Å; N247-L249 VanDerWaalsContact C-N 3.33Å; N247-K250 PolarHBondContact O-N 3.11Å; N247-Y251 PolarHBondContact O-N 3.01Å
248	E	92.8	Very high	90.4	Very high	59 Å²	59	61.2 Å²	61.2	28%	0.276	29%	0.294	S	S	.	.	H	α-helix	trans	-62.5	-40.5	172.2	-74.8	176.7	-164.8	0	0	110.9	W235 R244 A245 Y251 F252	W235-E248 HydrophobicContact CZ2-CB 4.03Å; W235-E248 PolarHBondContact NE1-OE2 3.03Å; R244-E248 HydrophobicContact CG-CG 4.48Å; R244-E248 WeakPolarHBondContact CG-OE1 3.41Å; R244-E248 IonicContact CZ-OE1 3.74Å; R244-E248 IonicContact NE-OE1 2.91Å; R244-E248 PolarHBondContact NE-OE1 2.92Å; R244-E248 IonicContact NH2-OE1 3.67Å; R244-E248 WeakPolarHBondContact O-CG 3.48Å; R244-E248 PolarHBondContact O-N 3.2Å; A245-E248 PolarHBondContact O-N 2.94Å; E248-Y251 WeakPolarHBondContact O-CB 3.46Å; E248-Y251 PolarHBondContact O-N 2.88Å; E248-F252 WeakPolarHBondContact O-CB 3.44Å; E248-F252 PolarHBondContact O-N 3.12Å
249	L	93.2	Very high	90.4	Very high	0 Å²	0	64 Å²	64	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-62.1	-45.9	171.7	173.6	57	0	0	0	112.1	V210 L222 V224 L234 A245 I246 N247 Y251 F252 I253	V210-L249 HydrophobicContact CG1-CD2 4.42Å; V210-L249 HydrophobicContact CG2-CD2 3.64Å; V210-L249 HydrophobicContact CG2-CG 4.18Å; L222-L249 HydrophobicContact CD2-CD2 3.9Å; V224-L249 HydrophobicContact CB-CD1 4.25Å; V224-L249 HydrophobicContact CG1-CD1 3.79Å; V224-L249 HydrophobicContact CG2-CD1 3.88Å; V224-L249 HydrophobicContact CG2-CD2 4.29Å; L234-L249 HydrophobicContact CD2-CB 4.24Å; L234-L249 HydrophobicContact CD2-CD1 4.3Å; A245-L249 WeakPolarHBondContact O-CB 2.98Å; A245-L249 PolarHBondContact O-N 3.17Å; I246-L249 PolarHBondContact O-N 2.83Å; N247-L249 VanDerWaalsContact C-N 3.33Å; L249-Y251 PolarHBondContact O-N 2.5Å; L249-F252 HydrophobicContact CD1-CD1 4.41Å; L249-F252 WeakPolarHBondContact O-CB 3.49Å; L249-F252 PolarHBondContact O-N 2.92Å; L249-F252 VanDerWaalsContact O-N 3.14Å; L249-I253 HydrophobicContact CD1-CD1 3.79Å; L249-I253 HydrophobicContact CD1-CG1 3.99Å; L249-I253 HydrophobicContact CG-CD1 3.87Å; L249-I253 WeakPolarHBondContact O-CG1 3.36Å; L249-I253 PolarHBondContact O-N 2.8Å
250	K	93	Very high	90.3	Very high	44 Å²	44	63.4 Å²	63.4	19%	0.191	31%	0.309	C	S	.	.	H	α-helix	trans	-58.7	-38.3	175.6	-73.6	172.9	179.3	-178.8	0	111.7	V210 N211 I246 N247 R254	V210-K250 HydrophobicContact CG1-CD 4.47Å; V210-K250 HydrophobicContact CG1-CG 4.02Å; N211-K250 WeakPolarHBondContact OD1-CE 3.31Å; N211-K250 PolarHBondContact OD1-NZ 3.5Å; I246-K250 WeakPolarHBondContact O-CG 3.22Å; I246-K250 PolarHBondContact O-N 2.93Å; N247-K250 PolarHBondContact O-N 3.11Å; K250-R254 WeakPolarHBondContact O-CB 3.02Å; K250-R254 VanDerWaalsContact O-CG 3.26Å; K250-R254 WeakPolarHBondContact O-CG 3.22Å; K250-R254 PolarHBondContact O-N 3.13Å; K250-R254 VanDerWaalsContact O-N 3.12Å
251	Y	93.3	Very high	90.3	Very high	134 Å²	134	60.5 Å²	60.5	53%	0.525	29%	0.293	S	S	.	.	H	α-helix	trans	-67.5	-43.6	174.5	-178	-96.8	0	0	0	111.9	N247 E248 L249 I253 R254 E255 Q256	N247-Y251 PolarHBondContact O-N 3.01Å; E248-Y251 WeakPolarHBondContact O-CB 3.46Å; E248-Y251 PolarHBondContact O-N 2.88Å; L249-Y251 PolarHBondContact O-N 2.5Å; Y251-I253 PolarHBondContact O-N 2.98Å; Y251-R254 PolarHBondContact O-N 2.51Å; Y251-E255 HydrophobicContact CD2-CG 3.87Å; Y251-E255 HydrophobicContact CE1-CB 4.24Å; Y251-E255 HydrophobicContact CE2-CB 4.1Å; Y251-E255 HydrophobicContact CE2-CG 3.49Å; Y251-E255 VanDerWaalsContact CE2-CG 3.49Å; Y251-E255 PolarHBondContact O-N 3.16Å; Y251-Q256 HydrophobicContact CE1-CG 4.41Å
252	F	93.8	Very high	90.5	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.301	C	S	.	.	I	π-helix	trans	-56	-48.4	174.8	-179.6	-99.1	0	0	0	111.8	V224 L234 E248 L249 R254 Q256 L257	V224-F252 HydrophobicContact CG1-CD1 4.28Å; V224-F252 HydrophobicContact CG1-CE1 4.15Å; L234-F252 HydrophobicContact CB-CD2 3.91Å; L234-F252 HydrophobicContact CB-CE2 4.14Å; L234-F252 HydrophobicContact CB-CG 4.17Å; L234-F252 HydrophobicContact CD1-CB 3.83Å; L234-F252 HydrophobicContact CD1-CD2 3.75Å; L234-F252 HydrophobicContact CD1-CG 4.02Å; L234-F252 HydrophobicContact CD2-CB 3.93Å; L234-F252 HydrophobicContact CD2-CG 4.19Å; L234-F252 HydrophobicContact CG-CB 4.36Å; L234-F252 HydrophobicContact CG-CD2 4.28Å; L234-F252 HydrophobicContact CG-CG 4.34Å; E248-F252 WeakPolarHBondContact O-CB 3.44Å; E248-F252 PolarHBondContact O-N 3.12Å; L249-F252 HydrophobicContact CD1-CD1 4.41Å; L249-F252 WeakPolarHBondContact O-CB 3.49Å; L249-F252 PolarHBondContact O-N 2.92Å; L249-F252 VanDerWaalsContact O-N 3.14Å; F252-R254 VanDerWaalsContact C-N 3.34Å; F252-R254 PolarHBondContact O-N 2.88Å; F252-Q256 HydrophobicContact CD2-CB 3.67Å; F252-Q256 HydrophobicContact CD2-CG 4.42Å; F252-Q256 VanDerWaalsContact CD2-OE1 3.3Å; F252-Q256 HydrophobicContact CE2-CB 4.04Å; F252-Q256 HydrophobicContact CG-CB 4.34Å; F252-Q256 CarbonylContact O-C 3.48Å; F252-Q256 WeakPolarHBondContact O-CA 3.3Å; F252-Q256 PolarHBondContact O-N 3.05Å; F252-L257 PolarHBondContact O-N 3.1Å
253	I	93.1	Very high	90.6	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.283	C	S	.	.	I	π-helix	trans	-62	-41.4	178	-67.1	161.5	0	0	0	111.1	K203 L206 I207 V210 L249 Y251	K203-I253 HydrophobicContact CB-CG2 4.06Å; K203-I253 VanDerWaalsContact CD-O 3.26Å; K203-I253 WeakPolarHBondContact CD-O 3.45Å; K203-I253 WeakPolarHBondContact CE-O 2.97Å; K203-I253 HydrophobicContact CG-CG2 4.05Å; K203-I253 WeakPolarHBondContact CG-O 3.33Å; L206-I253 HydrophobicContact CB-CD1 4.06Å; L206-I253 HydrophobicContact CB-CG2 3.96Å; L206-I253 HydrophobicContact CD1-CG2 4.26Å; I207-I253 HydrophobicContact CG1-CG2 4.15Å; V210-I253 HydrophobicContact CG2-CD1 4Å; L249-I253 HydrophobicContact CD1-CD1 3.79Å; L249-I253 HydrophobicContact CD1-CG1 3.99Å; L249-I253 HydrophobicContact CG-CD1 3.87Å; L249-I253 WeakPolarHBondContact O-CG1 3.36Å; L249-I253 PolarHBondContact O-N 2.8Å; Y251-I253 PolarHBondContact O-N 2.98Å
254	R	90.8	Very high	90.9	Very high	137 Å²	137	55.1 Å²	55.1	52%	0.517	27%	0.265	S	S	.	.	I	π-helix	trans	-72.4	-49.6	-177.8	-73.4	173.8	-178.3	176.4	-0.5	112.9	I207 K250 Y251 F252	I207-R254 HydrophobicContact CD1-CG 3.81Å; K250-R254 WeakPolarHBondContact O-CB 3.02Å; K250-R254 VanDerWaalsContact O-CG 3.26Å; K250-R254 WeakPolarHBondContact O-CG 3.22Å; K250-R254 PolarHBondContact O-N 3.13Å; K250-R254 VanDerWaalsContact O-N 3.12Å; Y251-R254 PolarHBondContact O-N 2.51Å; F252-R254 VanDerWaalsContact C-N 3.34Å; F252-R254 PolarHBondContact O-N 2.88Å
255	E	87.6	Confident	91	Very high	122 Å²	122	46.6 Å²	46.6	57%	0.57	23%	0.233	S	C	*	.	I	π-helix	trans	-109.9	-29.4	-164	-58	-59.1	140.2	0	0	114.1	Y251	Y251-E255 HydrophobicContact CD2-CG 3.87Å; Y251-E255 HydrophobicContact CE1-CB 4.24Å; Y251-E255 HydrophobicContact CE2-CB 4.1Å; Y251-E255 HydrophobicContact CE2-CG 3.49Å; Y251-E255 VanDerWaalsContact CE2-CG 3.49Å; Y251-E255 PolarHBondContact O-N 3.16Å
256	Q	89.2	Confident	91.1	Very high	80 Å²	80	47.6 Å²	47.6	37%	0.374	24%	0.238	S	C	.	.	I	π-helix	trans	-106.2	-15.7	-172.4	-60.2	-169.9	-2.2	0	0	114.1	Y251 F252 I258	Y251-Q256 HydrophobicContact CE1-CG 4.41Å; F252-Q256 HydrophobicContact CD2-CB 3.67Å; F252-Q256 HydrophobicContact CD2-CG 4.42Å; F252-Q256 VanDerWaalsContact CD2-OE1 3.3Å; F252-Q256 HydrophobicContact CE2-CB 4.04Å; F252-Q256 HydrophobicContact CG-CB 4.34Å; F252-Q256 CarbonylContact O-C 3.48Å; F252-Q256 WeakPolarHBondContact O-CA 3.3Å; F252-Q256 PolarHBondContact O-N 3.05Å; Q256-I258 PolarHBondContact O-N 2.88Å
257	L	89.9	Confident	91.2	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.248	C	C	.	.			trans	-76.6	91.7	172.3	-166.9	71	0	0	0	109.2	L187 L194 F202 K203 L206 F252	L187-L257 HydrophobicContact CB-CD1 4.3Å; L187-L257 HydrophobicContact CD1-CD1 4.37Å; L194-L257 HydrophobicContact CD1-CG 4.26Å; L194-L257 HydrophobicContact CD2-CD2 4.48Å; F202-L257 HydrophobicContact CD1-CD2 4.13Å; F202-L257 HydrophobicContact CE1-CD2 4.04Å; K203-L257 WeakPolarHBondContact CE-O 2.98Å; K203-L257 HydrophobicContact CG-CD2 4.37Å; K203-L257 PolarHBondContact NZ-O 3.4Å; L206-L257 HydrophobicContact CD1-CD2 4.06Å; F252-L257 PolarHBondContact O-N 3.1Å
258	I	88.9	Confident	91.3	Very high	91 Å²	91	44.8 Å²	44.8	47%	0.467	23%	0.226	S	C	.	.			trans	-114.5	152.2	-178.7	57.5	172.2	0	0	0	110.9	L194 Q256 M260	L194-I258 VanDerWaalsContact CD1-C 3.46Å; Q256-I258 PolarHBondContact O-N 2.88Å; I258-M260 HydrophobicContact CG1-CG 4.2Å; I258-M260 WeakPolarHBondContact O-CG 3.18Å; I258-M260 PolarHBondContact O-N 2.64Å
259	P	88.9	Confident	91.2	Very high	71 Å²	71	42.2 Å²	42.2	46%	0.461	21%	0.214	S	C	.	.			trans	-58.4	126.9	172.6	20.9	-30.9	0	0	0	111.5	S189 D191 L194	S189-P259 CarbonylContact O-C 3.52Å; S189-P259 WeakPolarHBondContact O-CA 2.94Å; D191-P259 VanDerWaalsContact OD1-C 3.32Å; D191-P259 WeakPolarHBondContact OD1-CB 3.48Å; L194-P259 HydrophobicContact CB-CB 4.2Å
260	M	88.4	Confident	91.1	Very high	42 Å²	42	46 Å²	46	21%	0.207	23%	0.231	C	C	.	.			trans	-129.9	46.8	-172.8	-70.9	-178.1	68.3	0	0	112.8	S189 D191 G228 T229 N230 N232 I258	S189-M260 PolarHBondContact O-N 3.26Å; D191-M260 PolarHBondContact OD1-N 3.33Å; G228-M260 CarbonylContact C-O 3.43Å; G228-M260 WeakPolarHBondContact CA-O 3.38Å; T229-M260 PolarHBondContact N-O 3.13Å; T229-M260 PolarHBondContact OG1-O 3.29Å; N230-M260 HydrophobicContact CB-CE 3.77Å; N232-M260 HydrophobicContact CB-CE 4.27Å; N232-M260 HydrophobicContact CB-SD 4Å; I258-M260 HydrophobicContact CG1-CG 4.2Å; I258-M260 WeakPolarHBondContact O-CG 3.18Å; I258-M260 PolarHBondContact O-N 2.64Å
261	G	89.3	Confident	91	Very high	24 Å²	24	45 Å²	45	25%	0.247	23%	0.227	C	C	.	.	S	Bend	trans	78.8	-132.7	171.6	0	0	0	0	0	114	S190 D191	S190-G261 WeakPolarHBondContact CA-O 3.29Å; D191-G261 VanDerWaalsContact CG-N 3.35Å; D191-G261 PolarHBondContact N-O 3.49Å; D191-G261 PolarHBondContact OD1-N 3.5Å; D191-G261 WeakPolarHBondContact OD2-CA 3.48Å
262	G	88.6	Confident	90.9	Very high	24 Å²	24	38.7 Å²	38.7	25%	0.247	20%	0.202	C	C	.	.	S	Bend	trans	-74.5	-175.9	-177.3	0	0	0	0	0	113.7	S190 G228 T229 D292	S190-G262 WeakPolarHBondContact CB-O 3.42Å; G228-G262 CarbonylContact C-O 3.27Å; G228-G262 WeakPolarHBondContact CA-O 3.43Å; T229-G262 PolarHBondContact N-O 3.22Å; T229-G262 VanDerWaalsContact N-O 3.1Å; T229-G262 PolarHBondContact OG1-N 3.33Å; G262-D292 VanDerWaalsContact CA-OD2 3.3Å; G262-D292 WeakPolarHBondContact CA-OD2 3.37Å
263	S	91.4	Very high	90.6	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.014	21%	0.211	C	C	.	.			trans	-111.9	90.6	-179	-172	0	0	0	0	110.9	L265 S289 Y290 D292	S263-L265 PolarHBondContact O-N 2.89Å; S263-S289 WeakPolarHBondContact CB-OG 3.42Å; S263-S289 PolarHBondContact OG-OG 3.03Å; S263-Y290 WeakPolarHBondContact CB-O 3.36Å; S263-D292 PolarHBondContact N-OD2 3.35Å; S263-D292 PolarHBondContact O-N 2.87Å
264	N	93.7	Very high	90.3	Very high	46 Å²	46	46.6 Å²	46.6	25%	0.246	24%	0.241	C	C	.	.			trans	-94.3	68.5	177.4	-163.5	-19.1	0	0	0	113.1	G228 L266 S267 G268 Q293	G228-N264 WeakPolarHBondContact O-CB 3.39Å; G228-N264 PolarHBondContact O-N 3Å; N264-L266 VanDerWaalsContact C-N 3.3Å; N264-L266 PolarHBondContact O-N 3.25Å; N264-S267 VanDerWaalsContact CG-CB 3.42Å; N264-S267 PolarHBondContact O-N 2.98Å; N264-S267 VanDerWaalsContact OD1-CB 3.23Å; N264-S267 WeakPolarHBondContact OD1-CB 3.46Å; N264-S267 PolarHBondContact OD1-N 3.01Å; N264-S267 VanDerWaalsContact OD1-N 3.1Å; N264-G268 PolarHBondContact O-N 3.49Å; N264-G268 VanDerWaalsContact O-N 3.15Å; N264-Q293 VanDerWaalsContact CG-NE2 3.3Å; N264-Q293 VanDerWaalsContact OD1-CD 3.23Å; N264-Q293 PolarHBondContact OD1-NE2 3.08Å; N264-Q293 VanDerWaalsContact OD1-NE2 3.11Å; N264-Q293 PolarHBondContact OD1-OE1 2.64Å
265	L	92.9	Very high	90	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-57.6	-40.6	-178.9	178	58.4	0	0	0	112.3	Y227 S263 S267 G268 I269 I285 P291 I298	Y227-L265 HydrophobicContact CE1-CD1 4.25Å; Y227-L265 HydrophobicContact CE2-CB 3.96Å; Y227-L265 HydrophobicContact CE2-CD1 4.11Å; S263-L265 PolarHBondContact O-N 2.89Å; L265-S267 VanDerWaalsContact C-N 3.3Å; L265-S267 PolarHBondContact O-N 3.13Å; L265-G268 PolarHBondContact O-N 3.31Å; L265-G268 VanDerWaalsContact O-N 3.16Å; L265-I269 HydrophobicContact CD1-CD1 4Å; L265-I269 HydrophobicContact CD1-CG1 4.04Å; L265-I269 HydrophobicContact CD2-CD1 4.48Å; L265-I269 HydrophobicContact CG-CD1 3.87Å; L265-I269 HydrophobicContact CG-CG1 4.36Å; L265-I269 WeakPolarHBondContact O-CG1 3.05Å; L265-I269 PolarHBondContact O-N 3.04Å; L265-I285 HydrophobicContact CD1-CG2 3.68Å; L265-P291 HydrophobicContact CB-CB 4.01Å; L265-P291 HydrophobicContact CB-CG 4.16Å; L265-P291 HydrophobicContact CD2-CB 4.39Å; L265-P291 HydrophobicContact CD2-CG 3.74Å; L265-I298 HydrophobicContact CD2-CD1 4.33Å
266	L	92.5	Very high	89.4	Confident	24 Å²	24	38.7 Å²	38.7	13%	0.126	21%	0.21	C	C	.	.	H	α-helix	trans	-61.4	-40	-179.7	-178.1	59	0	0	0	112.1	N264 K270 Q293 I298 Y301	N264-L266 VanDerWaalsContact C-N 3.3Å; N264-L266 PolarHBondContact O-N 3.25Å; L266-K270 HydrophobicContact CG-CD 4.36Å; L266-K270 WeakPolarHBondContact O-CB 3.3Å; L266-K270 WeakPolarHBondContact O-CG 3.49Å; L266-K270 PolarHBondContact O-N 3.31Å; L266-Q293 HydrophobicContact CB-CB 4.48Å; L266-Q293 HydrophobicContact CB-CG 3.88Å; L266-Q293 HydrophobicContact CD2-CG 4.38Å; L266-I298 HydrophobicContact CB-CG1 4.42Å; L266-Y301 HydrophobicContact CD1-CD1 3.53Å; L266-Y301 HydrophobicContact CD1-CD2 4.44Å; L266-Y301 HydrophobicContact CD1-CE1 4.18Å; L266-Y301 HydrophobicContact CD1-CG 3.68Å
267	S	92.5	Very high	88.4	Confident	39 Å²	39	42.9 Å²	42.9	27%	0.273	22%	0.222	S	C	.	.	H	α-helix	trans	-65.5	-44.1	175.2	-166.9	0	0	0	0	111.1	I231 N264 L265 I269 K270 H271	I231-S267 WeakPolarHBondContact CD1-O 3.48Å; I231-S267 WeakPolarHBondContact CD1-OG 3.43Å; N264-S267 VanDerWaalsContact CG-CB 3.42Å; N264-S267 PolarHBondContact O-N 2.98Å; N264-S267 VanDerWaalsContact OD1-CB 3.23Å; N264-S267 WeakPolarHBondContact OD1-CB 3.46Å; N264-S267 PolarHBondContact OD1-N 3.01Å; N264-S267 VanDerWaalsContact OD1-N 3.1Å; L265-S267 VanDerWaalsContact C-N 3.3Å; L265-S267 PolarHBondContact O-N 3.13Å; S267-I269 PolarHBondContact O-N 3.03Å; S267-K270 WeakPolarHBondContact O-CB 3.37Å; S267-K270 PolarHBondContact O-N 3.17Å; S267-H271 WeakPolarHBondContact O-CB 3.44Å; S267-H271 PolarHBondContact O-N 3.15Å
268	G	92.9	Very high	87.5	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-57.9	-45.6	175.8	0	0	0	0	0	113.2	L186 N264 L265 H271 M272	L186-G268 VanDerWaalsContact CD2-C 3.45Å; N264-G268 PolarHBondContact O-N 3.49Å; N264-G268 VanDerWaalsContact O-N 3.15Å; L265-G268 PolarHBondContact O-N 3.31Å; L265-G268 VanDerWaalsContact O-N 3.16Å; G268-H271 WeakPolarHBondContact O-CB 3.48Å; G268-H271 PolarHBondContact O-N 3.21Å; G268-M272 PolarHBondContact O-N 3.33Å
269	I	91.5	Very high	87.2	Confident	5 Å²	5	51.4 Å²	51.4	3%	0.026	26%	0.257	C	S	.	.	H	α-helix	trans	-62.9	-47.2	176.2	-66	170.6	0	0	0	110.7	L186 L265 S267 H271 M272 I273 I285 I298 Y301 L302	L186-I269 HydrophobicContact CD2-CG1 4.39Å; L265-I269 HydrophobicContact CD1-CD1 4Å; L265-I269 HydrophobicContact CD1-CG1 4.04Å; L265-I269 HydrophobicContact CD2-CD1 4.48Å; L265-I269 HydrophobicContact CG-CD1 3.87Å; L265-I269 HydrophobicContact CG-CG1 4.36Å; L265-I269 WeakPolarHBondContact O-CG1 3.05Å; L265-I269 PolarHBondContact O-N 3.04Å; S267-I269 PolarHBondContact O-N 3.03Å; I269-H271 PolarHBondContact O-N 3.07Å; I269-M272 PolarHBondContact O-N 3.31Å; I269-I273 HydrophobicContact CG2-CD1 3.69Å; I269-I273 HydrophobicContact CG2-CG1 4.49Å; I269-I273 WeakPolarHBondContact O-CG1 3.43Å; I269-I273 PolarHBondContact O-N 3.03Å; I269-I285 HydrophobicContact CD1-CD1 4.16Å; I269-I285 HydrophobicContact CG1-CD1 3.79Å; I269-I298 HydrophobicContact CD1-CG2 4.16Å; I269-Y301 HydrophobicContact CG2-CD1 4.47Å; I269-Y301 HydrophobicContact CG2-CE1 4.04Å; I269-L302 HydrophobicContact CD1-CD1 4.39Å; I269-L302 HydrophobicContact CG2-CD2 3.84Å
270	K	90.9	Very high	87.1	Confident	80 Å²	80	48.2 Å²	48.2	35%	0.348	24%	0.236	S	C	.	.	H	α-helix	trans	-52.3	-45.1	173.9	-86.3	169.5	178.9	-174.9	0	111.7	L266 S267 I273 M274 Y301	L266-K270 HydrophobicContact CG-CD 4.36Å; L266-K270 WeakPolarHBondContact O-CB 3.3Å; L266-K270 WeakPolarHBondContact O-CG 3.49Å; L266-K270 PolarHBondContact O-N 3.31Å; S267-K270 WeakPolarHBondContact O-CB 3.37Å; S267-K270 PolarHBondContact O-N 3.17Å; K270-I273 PolarHBondContact O-N 2.65Å; K270-M274 HydrophobicContact CB-CE 4.25Å; K270-M274 WeakPolarHBondContact O-CB 3.29Å; K270-M274 VanDerWaalsContact O-CG 3.31Å; K270-M274 WeakPolarHBondContact O-CG 3.46Å; K270-M274 PolarHBondContact O-N 2.76Å; K270-Y301 HydrophobicContact CD-CE2 4.33Å; K270-Y301 HydrophobicContact CG-CE1 3.79Å; K270-Y301 HydrophobicContact CG-CE2 3.91Å; K270-Y301 WeakPolarHBondContact CG-OH 3.46Å
271	H	92	Very high	87	Confident	23 Å²	23	48.9 Å²	48.9	11%	0.106	24%	0.241	C	C	.	.	H	α-helix	trans	-65.9	-47.9	-179.9	-171.4	93.5	0	0	0	112.4	Y223 I231 S267 G268 I269 I273 M274 F275	Y223-H271 PolarHBondContact OH-NE2 3.03Å; I231-H271 HydrophobicContact CD1-CB 3.62Å; I231-H271 HydrophobicContact CG1-CB 4.46Å; I231-H271 HydrophobicContact CG2-CB 4.29Å; S267-H271 WeakPolarHBondContact O-CB 3.44Å; S267-H271 PolarHBondContact O-N 3.15Å; G268-H271 WeakPolarHBondContact O-CB 3.48Å; G268-H271 PolarHBondContact O-N 3.21Å; I269-H271 PolarHBondContact O-N 3.07Å; H271-I273 VanDerWaalsContact C-N 3.27Å; H271-I273 PolarHBondContact O-N 2.82Å; H271-M274 PolarHBondContact O-N 3.37Å; H271-F275 HydrophobicContact CB-CD2 4.46Å; H271-F275 AromaticContact CD2-CD2 3.93Å; H271-F275 AromaticContact CE1-CD2 3.37Å; H271-F275 WeakPolarHBondContact CE1-CD2 3.12Å; H271-F275 AromaticContact CE1-CE2 3.49Å; H271-F275 VanDerWaalsContact CE1-CE2 3.49Å; H271-F275 WeakPolarHBondContact CE1-CE2 3.46Å; H271-F275 AromaticContact CG-CD2 3.66Å; H271-F275 AromaticContact ND1-CD2 3.31Å; H271-F275 VanDerWaalsContact ND1-CD2 3.31Å; H271-F275 WeakPolarHBondContact ND1-CD2 3.44Å; H271-F275 AromaticContact ND1-CE2 3.3Å; H271-F275 VanDerWaalsContact ND1-CE2 3.3Å; H271-F275 WeakPolarHBondContact ND1-CE2 3.32Å; H271-F275 AromaticContact NE2-CD2 3.77Å; H271-F275 WeakPolarHBondContact O-CB 3.34Å; H271-F275 WeakPolarHBondContact O-CD2 3.4Å; H271-F275 PolarHBondContact O-N 2.96Å
272	M	90.7	Very high	87	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-57.7	-40.7	176.6	-74	-64.9	101.7	0	0	112.4	L186 Y223 A225 G268 I269 G276 I283	L186-M272 HydrophobicContact CB-CG 3.94Å; L186-M272 HydrophobicContact CB-SD 4.32Å; L186-M272 HydrophobicContact CD1-CE 4.43Å; L186-M272 HydrophobicContact CD1-CG 4.11Å; L186-M272 HydrophobicContact CD2-CG 4.03Å; L186-M272 HydrophobicContact CG-CG 4.24Å; Y223-M272 HydrophobicContact CD1-CE 3.56Å; Y223-M272 HydrophobicContact CD1-SD 3.79Å; Y223-M272 HydrophobicContact CE1-CE 3.29Å; Y223-M272 HydrophobicContact CE1-SD 4.1Å; A225-M272 HydrophobicContact CB-CE 3.37Å; G268-M272 PolarHBondContact O-N 3.33Å; I269-M272 PolarHBondContact O-N 3.31Å; M272-G276 WeakPolarHBondContact O-CA 3.33Å; M272-G276 PolarHBondContact O-N 2.47Å; M272-I283 HydrophobicContact CB-CD1 3.97Å; M272-I283 HydrophobicContact CB-CG2 4.26Å; M272-I283 HydrophobicContact CG-CG2 4.14Å
273	I	87.2	Confident	87.2	Confident	37 Å²	37	47.2 Å²	47.2	19%	0.19	22%	0.221	C	C	.	.	H	α-helix	trans	-72.6	-42.7	-179.1	-64.3	169.9	0	0	0	111.3	I269 K270 H271 I283 Y301 I305 F306	I269-I273 HydrophobicContact CG2-CD1 3.69Å; I269-I273 HydrophobicContact CG2-CG1 4.49Å; I269-I273 WeakPolarHBondContact O-CG1 3.43Å; I269-I273 PolarHBondContact O-N 3.03Å; K270-I273 PolarHBondContact O-N 2.65Å; H271-I273 VanDerWaalsContact C-N 3.27Å; H271-I273 PolarHBondContact O-N 2.82Å; I273-I283 HydrophobicContact CG1-CD1 4.39Å; I273-Y301 HydrophobicContact CD1-CE1 4.38Å; I273-I305 HydrophobicContact CD1-CD1 4.18Å; I273-I305 HydrophobicContact CD1-CG2 4.13Å; I273-I305 HydrophobicContact CG2-CG2 4.41Å; I273-F306 HydrophobicContact CD1-CE2 4.33Å; I273-F306 HydrophobicContact CD1-CZ 4.46Å
274	M	86.5	Confident	87.4	Confident	128 Å²	128	47.1 Å²	47.1	63%	0.631	22%	0.22	S	C	*	.	H	α-helix	trans	-69.1	-47.3	179.9	-73.8	-167.4	-72.3	0	0	112.7	K270 H271	K270-M274 HydrophobicContact CB-CE 4.25Å; K270-M274 WeakPolarHBondContact O-CB 3.29Å; K270-M274 VanDerWaalsContact O-CG 3.31Å; K270-M274 WeakPolarHBondContact O-CG 3.46Å; K270-M274 PolarHBondContact O-N 2.76Å; H271-M274 PolarHBondContact O-N 3.37Å
275	F	85.3	Confident	87.4	Confident	91 Å²	91	45 Å²	45	40%	0.399	21%	0.209	S	C	.	.	H	α-helix	trans	-90.8	-19.4	-174.4	-66.1	-82.7	0	0	0	113.5	Y223 P238 H271 R277	Y223-F275 HydrophobicContact CE1-CB 3.86Å; Y223-F275 WeakPolarHBondContact OH-CB 3.36Å; P238-F275 WeakPolarHBondContact CD-O 3.09Å; H271-F275 HydrophobicContact CB-CD2 4.46Å; H271-F275 AromaticContact CD2-CD2 3.93Å; H271-F275 AromaticContact CE1-CD2 3.37Å; H271-F275 WeakPolarHBondContact CE1-CD2 3.12Å; H271-F275 AromaticContact CE1-CE2 3.49Å; H271-F275 VanDerWaalsContact CE1-CE2 3.49Å; H271-F275 WeakPolarHBondContact CE1-CE2 3.46Å; H271-F275 AromaticContact CG-CD2 3.66Å; H271-F275 AromaticContact ND1-CD2 3.31Å; H271-F275 VanDerWaalsContact ND1-CD2 3.31Å; H271-F275 WeakPolarHBondContact ND1-CD2 3.44Å; H271-F275 AromaticContact ND1-CE2 3.3Å; H271-F275 VanDerWaalsContact ND1-CE2 3.3Å; H271-F275 WeakPolarHBondContact ND1-CE2 3.32Å; H271-F275 AromaticContact NE2-CD2 3.77Å; H271-F275 WeakPolarHBondContact O-CB 3.34Å; H271-F275 WeakPolarHBondContact O-CD2 3.4Å; H271-F275 PolarHBondContact O-N 2.96Å; F275-R277 PolarHBondContact O-N 2.95Å
276	G	75.6	Confident	87.5	Confident	3 Å²	3	44.9 Å²	44.9	3%	0.031	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-2.7	171.7	0	0	0	0	0	114.7	M272 K278 Q279	M272-G276 WeakPolarHBondContact O-CA 3.33Å; M272-G276 PolarHBondContact O-N 2.47Å; G276-K278 PolarHBondContact O-N 2.77Å; G276-Q279 PolarHBondContact O-N 2.73Å
277	R	68.2	Low	87.5	Confident	168 Å²	168	43.8 Å²	43.8	63%	0.634	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	27	168.6	-71.4	-172.4	176.5	-174.8	0.2	116.4	F275 Q279	F275-R277 PolarHBondContact O-N 2.95Å; R277-Q279 HydrophobicContact CB-CG 4.11Å; R277-Q279 PolarHBondContact O-N 3Å; R277-Q279 VanDerWaalsContact O-N 3.09Å
278	K	69.8	Low	87.3	Confident	180 Å²	180	42 Å²	42	78%	0.783	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	20.2	-170.9	-52	-176.7	177.3	-174.8	0	113.8	G276	G276-K278 PolarHBondContact O-N 2.77Å
279	Q	81.9	Confident	87.2	Confident	90 Å²	90	42.5 Å²	42.5	42%	0.421	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-19.4	177.3	-68.3	-178.7	-16.6	0	0	112	N182 G276 R277	N182-Q279 WeakPolarHBondContact CB-O 3.48Å; G276-Q279 PolarHBondContact O-N 2.73Å; R277-Q279 HydrophobicContact CB-CG 4.11Å; R277-Q279 PolarHBondContact O-N 3Å; R277-Q279 VanDerWaalsContact O-N 3.09Å
280	L	86.7	Confident	87	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.021	21%	0.212	C	C	.	.			trans	-84.1	134.1	-177.2	-54.7	177.3	0	0	0	110.6	Y223 I283 P312	Y223-L280 HydrophobicContact CD1-CD1 4.36Å; L280-I283 HydrophobicContact CD1-CG1 4.2Å; L280-P312 HydrophobicContact CB-CB 4.5Å; L280-P312 WeakPolarHBondContact O-CB 3.43Å
281	D	87.4	Confident	87	Confident	56 Å²	56	43.6 Å²	43.6	30%	0.299	20%	0.196	S	C	.	.	S	Bend	trans	-90.2	-32.5	174.7	-57.4	-34.8	0	0	0	110.7	N182 P312 R313	N182-D281 HydrophobicContact CB-CB 4.33Å; N182-D281 WeakPolarHBondContact CB-OD2 3.48Å; N182-D281 PolarHBondContact N-OD2 3.32Å; N182-D281 PolarHBondContact ND2-OD2 2.83Å; N182-D281 PolarHBondContact O-N 3Å; D281-P312 CarbonylContact O-C 3.53Å; D281-P312 WeakPolarHBondContact O-CA 3.24Å; D281-R313 PolarHBondContact O-N 3.42Å
282	V	89.9	Confident	86.9	Confident	9 Å²	9	47.5 Å²	47.5	6%	0.055	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	132.8	-178.4	-177.6	0	0	0	0	110.1	R179 N182 I183 G184 I284 R313 H315	R179-V282 WeakPolarHBondContact O-CG2 3.38Å; N182-V282 PolarHBondContact O-N 3.31Å; I183-V282 CarbonylContact C-O 3.41Å; I183-V282 WeakPolarHBondContact CA-O 3.41Å; G184-V282 PolarHBondContact N-O 3.1Å; V282-I284 HydrophobicContact CG1-CG1 4.13Å; V282-R313 CarbonylContact C-O 3.46Å; V282-R313 WeakPolarHBondContact CA-O 3.37Å; V282-R313 HydrophobicContact CG2-CB 4.33Å; V282-H315 HydrophobicContact CG1-CB 4.17Å
283	I	92.7	Very high	86.9	Confident	3 Å²	3	48.9 Å²	48.9	2%	0.015	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	116.3	168.4	-62	169.4	0	0	0	107.9	G184 M272 I273 L280 I285 P312 R313 L314 H315	G184-I283 CarbonylContact O-C 3.55Å; G184-I283 WeakPolarHBondContact O-CA 3.16Å; M272-I283 HydrophobicContact CB-CD1 3.97Å; M272-I283 HydrophobicContact CB-CG2 4.26Å; M272-I283 HydrophobicContact CG-CG2 4.14Å; I273-I283 HydrophobicContact CG1-CD1 4.39Å; L280-I283 HydrophobicContact CD1-CG1 4.2Å; I283-I285 HydrophobicContact CG2-CD1 4.39Å; I283-I285 HydrophobicContact CG2-CG1 3.88Å; I283-P312 HydrophobicContact CD1-CB 3.88Å; I283-P312 HydrophobicContact CD1-CG 3.37Å; I283-P312 HydrophobicContact CG1-CB 3.83Å; I283-P312 HydrophobicContact CG1-CG 3.93Å; I283-R313 PolarHBondContact N-O 3.36Å; I283-L314 HydrophobicContact CB-CD2 3.86Å; I283-L314 HydrophobicContact CD1-CD2 4.39Å; I283-L314 HydrophobicContact CG2-CD2 4.32Å; I283-L314 WeakPolarHBondContact O-CA 3.42Å; I283-H315 PolarHBondContact O-N 2.94Å
284	I	93.8	Very high	86.9	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	119.2	176.1	-50.2	172	0	0	0	107.6	I178 I183 G184 L185 L186 V282 V286 H315 V317	I178-I284 HydrophobicContact CB-CD1 4.33Å; I178-I284 HydrophobicContact CD1-CD1 3.66Å; I178-I284 HydrophobicContact CG1-CD1 3.85Å; I178-I284 HydrophobicContact CG2-CD1 3.53Å; I183-I284 HydrophobicContact CD1-CD1 4.43Å; I183-I284 HydrophobicContact CG2-CD1 3.53Å; I183-I284 HydrophobicContact CG2-CG1 4.02Å; G184-I284 PolarHBondContact O-N 3.15Å; L185-I284 HydrophobicContact CD1-CB 3.97Å; L185-I284 HydrophobicContact CD1-CG2 4.02Å; L186-I284 PolarHBondContact N-O 3.35Å; V282-I284 HydrophobicContact CG1-CG1 4.13Å; I284-V286 HydrophobicContact CG2-CG2 4.2Å; I284-H315 CarbonylContact C-O 3.6Å; I284-H315 WeakPolarHBondContact CA-O 3.34Å; I284-H315 HydrophobicContact CG1-CB 4.23Å; I284-V317 HydrophobicContact CG2-CG2 4.34Å
285	I	94.9	Very high	87	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	113.7	179.3	-52.6	-176.4	0	0	0	107.8	L186 L265 I269 I283 C287 L314 H315 L316 V317	L186-I285 HydrophobicContact CB-CG1 4.37Å; L186-I285 HydrophobicContact CD2-CD1 4.39Å; L186-I285 HydrophobicContact CD2-CG1 4.27Å; L186-I285 HydrophobicContact CD2-CG2 4.19Å; L265-I285 HydrophobicContact CD1-CG2 3.68Å; I269-I285 HydrophobicContact CD1-CD1 4.16Å; I269-I285 HydrophobicContact CG1-CD1 3.79Å; I283-I285 HydrophobicContact CG2-CD1 4.39Å; I283-I285 HydrophobicContact CG2-CG1 3.88Å; I285-C287 VanDerWaalsContact CG2-SG 3.55Å; I285-L314 HydrophobicContact CD1-CD2 4.37Å; I285-H315 PolarHBondContact N-O 2.96Å; I285-L316 HydrophobicContact CB-CD2 3.91Å; I285-L316 HydrophobicContact CD1-CD2 3.77Å; I285-L316 HydrophobicContact CG1-CD2 4.1Å; I285-V317 PolarHBondContact O-N 3.04Å
286	V	94.4	Very high	87.2	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	104.2	177.4	-171.1	0	0	0	0	108.4	F175 L185 L186 L187 D188 F202 I284 V317 Y319	F175-V286 HydrophobicContact CD1-CG2 4.35Å; F175-V286 HydrophobicContact CE1-CG1 4.21Å; F175-V286 HydrophobicContact CE1-CG2 4.44Å; L185-V286 HydrophobicContact CD1-CG2 4.29Å; L186-V286 PolarHBondContact O-N 3.22Å; L187-V286 HydrophobicContact CD2-CB 4.15Å; L187-V286 HydrophobicContact CD2-CG2 4.03Å; D188-V286 VanDerWaalsContact CB-O 3.23Å; D188-V286 WeakPolarHBondContact CB-O 3.49Å; D188-V286 PolarHBondContact N-O 3.27Å; F202-V286 HydrophobicContact CE2-CG1 3.6Å; F202-V286 HydrophobicContact CZ-CB 4.46Å; F202-V286 HydrophobicContact CZ-CG1 3.84Å; I284-V286 HydrophobicContact CG2-CG2 4.2Å; V286-V317 HydrophobicContact CG1-CB 4.41Å; V286-V317 HydrophobicContact CG1-CG1 4.46Å; V286-V317 HydrophobicContact CG2-CB 4.33Å; V286-V317 HydrophobicContact CG2-CG2 4.46Å; V286-Y319 HydrophobicContact CG1-CG 4.39Å
287	C	92.6	Very high	87.9	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	126.8	179.3	-60.8	0	0	0	0	109.4	Y227 I285 V317 Y319 C321 L330	Y227-C287 PolarHBondContact OH-SG 3.19Å; I285-C287 VanDerWaalsContact CG2-SG 3.55Å; C287-V317 PolarHBondContact N-O 3.36Å; C287-Y319 PolarHBondContact O-N 2.88Å; C287-C321 PolarHBondContact O-SG 3.42Å; C287-L330 HydrophobicContact CB-CD1 3.91Å
288	G	89.6	Confident	89	Confident	3 Å²	3	44 Å²	44	3%	0.031	22%	0.22	C	C	.	.			trans	-121	2.1	176.1	0	0	0	0	0	114.3	D188 N193 R198 Y319	D188-G288 WeakPolarHBondContact OD2-CA 3.28Å; D188-G288 PolarHBondContact OD2-N 3.16Å; N193-G288 WeakPolarHBondContact OD1-CA 3.47Å; R198-G288 PolarHBondContact NH1-O 3.48Å; R198-G288 PolarHBondContact NH2-O 2.68Å; G288-Y319 WeakPolarHBondContact CA-O 3.19Å
289	S	89.1	Confident	89.9	Confident	9 Å²	9	38.3 Å²	38.3	6%	0.063	20%	0.196	C	C	.	.	S	Bend	trans	-137.7	168	-178.1	65.7	0	0	0	0	111.8	D188 S190 S263	D188-S289 PolarHBondContact OD1-OG 3.01Å; D188-S289 VanDerWaalsContact OD2-CB 3.29Å; D188-S289 WeakPolarHBondContact OD2-CB 3.27Å; D188-S289 PolarHBondContact OD2-N 3.48Å; D188-S289 PolarHBondContact OD2-OG 3.32Å; S190-S289 VanDerWaalsContact OG-CB 3.26Å; S190-S289 WeakPolarHBondContact OG-CB 3.36Å; S190-S289 PolarHBondContact OG-OG 2.88Å; S263-S289 WeakPolarHBondContact CB-OG 3.42Å; S263-S289 PolarHBondContact OG-OG 3.03Å
290	Y	87.9	Confident	90.3	Very high	107 Å²	107	38.1 Å²	38.1	42%	0.42	20%	0.195	S	C	.	.			trans	-78.7	126.9	173.6	-169.7	-84.3	0	0	0	109.7	S263 N323 E325 V326	S263-Y290 WeakPolarHBondContact CB-O 3.36Å; Y290-N323 WeakPolarHBondContact CD2-ND2 3.03Å; Y290-E325 HydrophobicContact CE2-CB 3.84Å; Y290-E325 VanDerWaalsContact CE2-OE2 3.29Å; Y290-E325 WeakPolarHBondContact CE2-OE2 3.5Å; Y290-E325 PolarHBondContact OH-OE2 3.35Å; Y290-V326 HydrophobicContact CD2-CG2 3.39Å; Y290-V326 HydrophobicContact CE2-CG2 4.3Å; Y290-V326 HydrophobicContact CG-CG2 4.01Å
291	P	90.5	Very high	90.5	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.013	20%	0.202	C	C	.	.			trans	-62.6	137.1	177.3	-24	34.7	0	0	0	112.9	L265 Q293 I298 L329	L265-P291 HydrophobicContact CB-CB 4.01Å; L265-P291 HydrophobicContact CB-CG 4.16Å; L265-P291 HydrophobicContact CD2-CB 4.39Å; L265-P291 HydrophobicContact CD2-CG 3.74Å; P291-Q293 PolarHBondContact O-N 2.71Å; P291-I298 HydrophobicContact CB-CD1 3.98Å; P291-I298 HydrophobicContact CG-CD1 4.42Å; P291-L329 HydrophobicContact CG-CD2 4.1Å
292	D	90.4	Very high	90.6	Very high	104 Å²	104	37.3 Å²	37.3	56%	0.556	19%	0.188	S	C	*	.	S	Bend	trans	-70.7	-16	178.5	-60.7	-34.2	0	0	0	112.6	G262 S263	G262-D292 VanDerWaalsContact CA-OD2 3.3Å; G262-D292 WeakPolarHBondContact CA-OD2 3.37Å; S263-D292 PolarHBondContact N-OD2 3.35Å; S263-D292 PolarHBondContact O-N 2.87Å
293	Q	91	Very high	90.5	Very high	31 Å²	31	40.7 Å²	40.7	15%	0.145	20%	0.203	C	C	.	.	S	Bend	trans	-88.5	138.6	179.3	-60.4	75.4	55.9	0	0	110.5	N264 L266 P291 A295 I298	N264-Q293 VanDerWaalsContact CG-NE2 3.3Å; N264-Q293 VanDerWaalsContact OD1-CD 3.23Å; N264-Q293 PolarHBondContact OD1-NE2 3.08Å; N264-Q293 VanDerWaalsContact OD1-NE2 3.11Å; N264-Q293 PolarHBondContact OD1-OE1 2.64Å; L266-Q293 HydrophobicContact CB-CB 4.48Å; L266-Q293 HydrophobicContact CB-CG 3.88Å; L266-Q293 HydrophobicContact CD2-CG 4.38Å; P291-Q293 PolarHBondContact O-N 2.71Å; Q293-A295 PolarHBondContact O-N 2.83Å; Q293-I298 HydrophobicContact CB-CD1 4.19Å; Q293-I298 HydrophobicContact CB-CG1 4.15Å
294	P	87.5	Confident	90.2	Very high	74 Å²	74	47.6 Å²	47.6	48%	0.481	24%	0.236	S	C	.	.			trans	-54.2	132.1	172.1	-25.9	33	0	0	0	112.4	I296 F297	P294-I296 HydrophobicContact CB-CG2 4.38Å; P294-I296 PolarHBondContact O-N 2.83Å; P294-I296 VanDerWaalsContact O-N 3.08Å; P294-F297 HydrophobicContact CB-CD2 3.81Å; P294-F297 HydrophobicContact CB-CE2 4.19Å; P294-F297 HydrophobicContact CG-CD2 3.83Å; P294-F297 HydrophobicContact CG-CE2 3.96Å; P294-F297 PolarHBondContact O-N 2.63Å
295	A	87.4	Confident	89.8	Confident	35 Å²	35	49.7 Å²	49.7	29%	0.289	25%	0.246	S	C	.	.	H	α-helix	trans	-44.5	-44.1	-179.3	0	0	0	0	0	113.8	Q293 F297 I298 Q299 L329	Q293-A295 PolarHBondContact O-N 2.83Å; A295-F297 VanDerWaalsContact C-N 3.29Å; A295-F297 PolarHBondContact O-N 2.76Å; A295-I298 PolarHBondContact O-N 2.84Å; A295-I298 VanDerWaalsContact O-N 3.14Å; A295-Q299 PolarHBondContact O-N 3.42Å; A295-L329 HydrophobicContact CB-CD1 3.5Å; A295-L329 HydrophobicContact CB-CD2 4.36Å; A295-L329 HydrophobicContact CB-CG 4.49Å
296	I	89.5	Confident	89.4	Confident	98 Å²	98	50.2 Å²	50.2	50%	0.503	25%	0.248	S	C	.	.	H	α-helix	trans	-60.1	-35.9	-176.8	-161.8	158.8	0	0	0	113.2	P294 Q300	P294-I296 HydrophobicContact CB-CG2 4.38Å; P294-I296 PolarHBondContact O-N 2.83Å; P294-I296 VanDerWaalsContact O-N 3.08Å; I296-Q300 HydrophobicContact CG1-CG 4.49Å; I296-Q300 WeakPolarHBondContact O-CB 3.26Å; I296-Q300 VanDerWaalsContact O-CG 3.25Å; I296-Q300 WeakPolarHBondContact O-CG 3.19Å; I296-Q300 PolarHBondContact O-N 3.22Å
297	F	91.6	Very high	88.7	Confident	116 Å²	116	54.5 Å²	54.5	51%	0.509	28%	0.284	S	S	.	.	H	α-helix	trans	-75.4	-32.2	179.9	-65.6	-47.5	0	0	0	112	P294 A295 Y301	P294-F297 HydrophobicContact CB-CD2 3.81Å; P294-F297 HydrophobicContact CB-CE2 4.19Å; P294-F297 HydrophobicContact CG-CD2 3.83Å; P294-F297 HydrophobicContact CG-CE2 3.96Å; P294-F297 PolarHBondContact O-N 2.63Å; A295-F297 VanDerWaalsContact C-N 3.29Å; A295-F297 PolarHBondContact O-N 2.76Å; F297-Y301 VanDerWaalsContact O-CB 3.25Å; F297-Y301 WeakPolarHBondContact O-CB 3.45Å; F297-Y301 PolarHBondContact O-N 2.87Å; F297-Y301 VanDerWaalsContact O-N 3.13Å
298	I	91.2	Very high	87.9	Confident	0 Å²	0	58 Å²	58	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-67.7	-46.1	174.5	-55.5	177.2	0	0	0	109.4	L265 L266 I269 P291 Q293 A295 Y301 L302 L333	L265-I298 HydrophobicContact CD2-CD1 4.33Å; L266-I298 HydrophobicContact CB-CG1 4.42Å; I269-I298 HydrophobicContact CD1-CG2 4.16Å; P291-I298 HydrophobicContact CB-CD1 3.98Å; P291-I298 HydrophobicContact CG-CD1 4.42Å; Q293-I298 HydrophobicContact CB-CD1 4.19Å; Q293-I298 HydrophobicContact CB-CG1 4.15Å; A295-I298 PolarHBondContact O-N 2.84Å; A295-I298 VanDerWaalsContact O-N 3.14Å; I298-Y301 PolarHBondContact O-N 3.3Å; I298-L302 HydrophobicContact CG2-CD1 4.09Å; I298-L302 WeakPolarHBondContact O-CG 3.5Å; I298-L302 PolarHBondContact O-N 2.74Å; I298-L333 HydrophobicContact CG2-CD1 3.82Å; I298-L333 HydrophobicContact CG2-CD2 4.32Å
299	Q	88.9	Confident	87.3	Confident	62 Å²	62	60 Å²	60	29%	0.29	33%	0.329	S	S	.	.	H	α-helix	trans	-61.3	-52.6	177.8	-178.1	179.5	-7.1	0	0	111.9	A295 Y301 L302 E303 L333 I336	A295-Q299 PolarHBondContact O-N 3.42Å; Q299-Y301 VanDerWaalsContact C-N 3.26Å; Q299-Y301 PolarHBondContact O-N 3.42Å; Q299-L302 PolarHBondContact O-N 2.92Å; Q299-L302 VanDerWaalsContact O-N 3.12Å; Q299-E303 HydrophobicContact CG-CG 4.32Å; Q299-E303 WeakPolarHBondContact CG-OE1 3.19Å; Q299-E303 PolarHBondContact NE2-OE1 3.28Å; Q299-E303 WeakPolarHBondContact O-CG 3.26Å; Q299-E303 PolarHBondContact O-N 3.43Å; Q299-L333 HydrophobicContact CB-CD2 4.04Å; Q299-I336 HydrophobicContact CG-CD1 4.24Å
300	Q	89.2	Confident	86.5	Confident	85 Å²	85	65 Å²	65	40%	0.397	36%	0.36	S	S	.	.	H	α-helix	trans	-57.4	-40.2	178.9	-76.5	176.2	-7.8	0	0	112.2	I296 Q304	I296-Q300 HydrophobicContact CG1-CG 4.49Å; I296-Q300 WeakPolarHBondContact O-CB 3.26Å; I296-Q300 VanDerWaalsContact O-CG 3.25Å; I296-Q300 WeakPolarHBondContact O-CG 3.19Å; I296-Q300 PolarHBondContact O-N 3.22Å; Q300-Q304 WeakPolarHBondContact O-CB 3.49Å; Q300-Q304 WeakPolarHBondContact O-CG 3.36Å; Q300-Q304 PolarHBondContact O-N 3.12Å
301	Y	90.6	Very high	85.8	Confident	42 Å²	42	62.3 Å²	62.3	17%	0.165	36%	0.357	C	S	.	.	H	α-helix	trans	-65.7	-43.6	177.6	178.5	-100.5	0	0	0	112.1	L266 I269 K270 I273 F297 I298 Q299 I305	L266-Y301 HydrophobicContact CD1-CD1 3.53Å; L266-Y301 HydrophobicContact CD1-CD2 4.44Å; L266-Y301 HydrophobicContact CD1-CE1 4.18Å; L266-Y301 HydrophobicContact CD1-CG 3.68Å; I269-Y301 HydrophobicContact CG2-CD1 4.47Å; I269-Y301 HydrophobicContact CG2-CE1 4.04Å; K270-Y301 HydrophobicContact CD-CE2 4.33Å; K270-Y301 HydrophobicContact CG-CE1 3.79Å; K270-Y301 HydrophobicContact CG-CE2 3.91Å; K270-Y301 WeakPolarHBondContact CG-OH 3.46Å; I273-Y301 HydrophobicContact CD1-CE1 4.38Å; F297-Y301 VanDerWaalsContact O-CB 3.25Å; F297-Y301 WeakPolarHBondContact O-CB 3.45Å; F297-Y301 PolarHBondContact O-N 2.87Å; F297-Y301 VanDerWaalsContact O-N 3.13Å; I298-Y301 PolarHBondContact O-N 3.3Å; Q299-Y301 VanDerWaalsContact C-N 3.26Å; Q299-Y301 PolarHBondContact O-N 3.42Å; Y301-I305 HydrophobicContact CD1-CD1 4.31Å; Y301-I305 HydrophobicContact CD2-CD1 4.23Å; Y301-I305 HydrophobicContact CE1-CD1 3.56Å; Y301-I305 HydrophobicContact CE2-CD1 3.47Å; Y301-I305 VanDerWaalsContact CE2-CD1 3.47Å; Y301-I305 HydrophobicContact CE2-CG1 4.27Å; Y301-I305 WeakPolarHBondContact O-CG1 3.39Å; Y301-I305 PolarHBondContact O-N 3Å; Y301-I305 VanDerWaalsContact O-N 3.1Å; Y301-I305 WeakPolarHBondContact OH-CD1 3.48Å
302	L	89.4	Confident	85.5	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-66.7	-44.3	177.7	-75.2	174.2	0	0	0	111.9	I269 I298 Q299 Q304 I305 F306 L314 L333 I336	I269-L302 HydrophobicContact CD1-CD1 4.39Å; I269-L302 HydrophobicContact CG2-CD2 3.84Å; I298-L302 HydrophobicContact CG2-CD1 4.09Å; I298-L302 WeakPolarHBondContact O-CG 3.5Å; I298-L302 PolarHBondContact O-N 2.74Å; Q299-L302 PolarHBondContact O-N 2.92Å; Q299-L302 VanDerWaalsContact O-N 3.12Å; L302-Q304 PolarHBondContact O-N 3.34Å; L302-I305 PolarHBondContact O-N 3.34Å; L302-F306 HydrophobicContact CB-CD2 4.47Å; L302-F306 HydrophobicContact CD2-CD2 3.92Å; L302-F306 HydrophobicContact CD2-CE2 3.59Å; L302-F306 WeakPolarHBondContact O-CB 3.13Å; L302-F306 WeakPolarHBondContact O-CD2 3.29Å; L302-F306 PolarHBondContact O-N 3.07Å; L302-L314 HydrophobicContact CD1-CD1 4.26Å; L302-L314 HydrophobicContact CD2-CD1 3.83Å; L302-L333 HydrophobicContact CD1-CB 4.41Å; L302-L333 HydrophobicContact CD1-CD1 3.98Å; L302-L333 HydrophobicContact CD1-CD2 3.79Å; L302-L333 HydrophobicContact CD1-CG 4.26Å; L302-I336 HydrophobicContact CB-CD1 3.69Å; L302-I336 HydrophobicContact CD1-CD1 4.25Å
303	E	87.7	Confident	85.4	Confident	81 Å²	81	61.2 Å²	61.2	38%	0.379	35%	0.346	S	S	.	.	H	α-helix	trans	-58.3	-46.4	175	-73.6	172.3	177.2	0	0	111.5	Q299 I305 A307 I336	Q299-E303 HydrophobicContact CG-CG 4.32Å; Q299-E303 WeakPolarHBondContact CG-OE1 3.19Å; Q299-E303 PolarHBondContact NE2-OE1 3.28Å; Q299-E303 WeakPolarHBondContact O-CG 3.26Å; Q299-E303 PolarHBondContact O-N 3.43Å; E303-I305 PolarHBondContact O-N 3.48Å; E303-A307 VanDerWaalsContact O-CB 3.25Å; E303-A307 WeakPolarHBondContact O-CB 3.25Å; E303-A307 PolarHBondContact O-N 3.18Å; E303-I336 HydrophobicContact CG-CD1 4.2Å; E303-I336 HydrophobicContact CG-CG1 4.24Å; E303-I336 HydrophobicContact CG-CG2 3.99Å
304	Q	87.3	Confident	85.4	Confident	148 Å²	148	59.9 Å²	59.9	69%	0.692	34%	0.34	S	S	*	.	H	α-helix	trans	-62.8	-40.6	179.1	-76.6	174.1	4.6	0	0	113	Q300 L302	Q300-Q304 WeakPolarHBondContact O-CB 3.49Å; Q300-Q304 WeakPolarHBondContact O-CG 3.36Å; Q300-Q304 PolarHBondContact O-N 3.12Å; L302-Q304 PolarHBondContact O-N 3.34Å
305	I	85.9	Confident	85.7	Confident	43 Å²	43	56.6 Å²	56.6	22%	0.221	32%	0.318	C	S	.	.	H	α-helix	trans	-77.2	-41.9	-178.4	-72	-169.5	0	0	0	112	I273 Y301 L302 E303 L309	I273-I305 HydrophobicContact CD1-CD1 4.18Å; I273-I305 HydrophobicContact CD1-CG2 4.13Å; I273-I305 HydrophobicContact CG2-CG2 4.41Å; Y301-I305 HydrophobicContact CD1-CD1 4.31Å; Y301-I305 HydrophobicContact CD2-CD1 4.23Å; Y301-I305 HydrophobicContact CE1-CD1 3.56Å; Y301-I305 HydrophobicContact CE2-CD1 3.47Å; Y301-I305 VanDerWaalsContact CE2-CD1 3.47Å; Y301-I305 HydrophobicContact CE2-CG1 4.27Å; Y301-I305 WeakPolarHBondContact O-CG1 3.39Å; Y301-I305 PolarHBondContact O-N 3Å; Y301-I305 VanDerWaalsContact O-N 3.1Å; Y301-I305 WeakPolarHBondContact OH-CD1 3.48Å; L302-I305 PolarHBondContact O-N 3.34Å; E303-I305 PolarHBondContact O-N 3.48Å; I305-L309 HydrophobicContact CG2-CD1 3.67Å; I305-L309 WeakPolarHBondContact O-CD1 3.49Å
306	F	85	Confident	86	Confident	13 Å²	13	55.1 Å²	55.1	6%	0.057	31%	0.305	C	S	.	.	H	α-helix	trans	-84.5	-10.4	-175.3	-73.6	-72.5	0	0	0	114	I273 L302 G308 L309 P312 L314 F340	I273-F306 HydrophobicContact CD1-CE2 4.33Å; I273-F306 HydrophobicContact CD1-CZ 4.46Å; L302-F306 HydrophobicContact CB-CD2 4.47Å; L302-F306 HydrophobicContact CD2-CD2 3.92Å; L302-F306 HydrophobicContact CD2-CE2 3.59Å; L302-F306 WeakPolarHBondContact O-CB 3.13Å; L302-F306 WeakPolarHBondContact O-CD2 3.29Å; L302-F306 PolarHBondContact O-N 3.07Å; F306-G308 PolarHBondContact O-N 2.9Å; F306-L309 HydrophobicContact CD1-CB 4.05Å; F306-L309 PolarHBondContact O-N 3.26Å; F306-P312 HydrophobicContact CE1-CG 4.14Å; F306-P312 WeakPolarHBondContact CE1-O 3.17Å; F306-P312 HydrophobicContact CZ-CG 4.18Å; F306-L314 HydrophobicContact CE2-CD1 4.09Å; F306-L314 HydrophobicContact CE2-CD2 4.49Å; F306-L314 HydrophobicContact CE2-CG 4.34Å; F306-L314 HydrophobicContact CZ-CD2 4.2Å; F306-L314 HydrophobicContact CZ-CG 4.29Å; F306-F340 HydrophobicContact CB-CZ 4.49Å; F306-F340 AromaticContact CD1-CZ 3.92Å; F306-F340 HydrophobicContact CD1-CZ 3.92Å; F306-F340 HydrophobicContact CD2-CE2 4.36Å; F306-F340 AromaticContact CD2-CZ 3.92Å; F306-F340 HydrophobicContact CD2-CZ 3.92Å; F306-F340 HydrophobicContact CE1-CZ 4.1Å; F306-F340 HydrophobicContact CE2-CZ 4.09Å; F306-F340 AromaticContact CG-CZ 3.84Å; F306-F340 HydrophobicContact CG-CZ 3.84Å; F306-F340 HydrophobicContact CZ-CZ 4.16Å
307	A	80.1	Confident	86.2	Confident	90 Å²	90	50.4 Å²	50.4	74%	0.744	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-22.3	173.1	0	0	0	0	0	114.4	E303	E303-A307 VanDerWaalsContact O-CB 3.25Å; E303-A307 WeakPolarHBondContact O-CB 3.25Å; E303-A307 PolarHBondContact O-N 3.18Å
308	G	75.4	Confident	86.3	Confident	73 Å²	73	44.9 Å²	44.9	75%	0.753	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.8	7.1	177.5	0	0	0	0	0	115.7	F306	F306-G308 PolarHBondContact O-N 2.9Å
309	L	77.1	Confident	86.3	Confident	45 Å²	45	45 Å²	45	24%	0.236	26%	0.257	C	S	.	.			trans	-115.6	121.6	-174.3	-71.2	172.5	0	0	0	111.8	I305 F306 K337	I305-L309 HydrophobicContact CG2-CD1 3.67Å; I305-L309 WeakPolarHBondContact O-CD1 3.49Å; F306-L309 HydrophobicContact CD1-CB 4.05Å; F306-L309 PolarHBondContact O-N 3.26Å; L309-K337 PolarHBondContact O-NZ 2.73Å
310	T	73.1	Confident	86.2	Confident	116 Å²	116	42.4 Å²	42.4	71%	0.712	25%	0.246	S	C	*	.			trans	-75.2	-30.8	171.7	52.3	0	0	0	0	112.3	K337	T310-K337 VanDerWaalsContact C-NZ 3.31Å; T310-K337 PolarHBondContact O-NZ 3.19Å
311	S	73.8	Confident	86	Confident	50 Å²	50	38.7 Å²	38.7	35%	0.35	23%	0.229	S	C	.	.			trans	-137.4	150.6	177.7	-56.4	0	0	0	0	109.3
312	P	83.9	Confident	85.5	Confident	12 Å²	12	44.6 Å²	44.6	8%	0.078	25%	0.251	C	S	.	.	P	Polyproline II helix	cis	-79.2	157.1	4.6	28.9	-33.5	0	0	0	114.4	L280 D281 I283 F306	L280-P312 HydrophobicContact CB-CB 4.5Å; L280-P312 WeakPolarHBondContact O-CB 3.43Å; D281-P312 CarbonylContact O-C 3.53Å; D281-P312 WeakPolarHBondContact O-CA 3.24Å; I283-P312 HydrophobicContact CD1-CB 3.88Å; I283-P312 HydrophobicContact CD1-CG 3.37Å; I283-P312 HydrophobicContact CG1-CB 3.83Å; I283-P312 HydrophobicContact CG1-CG 3.93Å; F306-P312 HydrophobicContact CE1-CG 4.14Å; F306-P312 WeakPolarHBondContact CE1-O 3.17Å; F306-P312 HydrophobicContact CZ-CG 4.18Å
313	R	88.3	Confident	85.2	Confident	71 Å²	71	47.5 Å²	47.5	27%	0.268	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	144.9	167.8	-61.6	172.1	53	-177	-3.4	110.3	D281 V282 I283 D339 F340	D281-R313 PolarHBondContact O-N 3.42Å; V282-R313 CarbonylContact C-O 3.46Å; V282-R313 WeakPolarHBondContact CA-O 3.37Å; V282-R313 HydrophobicContact CG2-CB 4.33Å; I283-R313 PolarHBondContact N-O 3.36Å; R313-D339 HydrophobicContact CG-CB 4.1Å; R313-D339 WeakPolarHBondContact CG-OD2 3.17Å; R313-D339 VanDerWaalsContact CZ-O 3.31Å; R313-D339 PolarHBondContact NE-O 3.03Å; R313-D339 PolarHBondContact NH2-O 2.54Å; R313-F340 HydrophobicContact CB-CD1 4.46Å
314	L	91.3	Very high	85	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.016	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	130.6	174.9	-59.4	-174.8	0	0	0	111.5	I283 I285 L302 F306 L316 F340 I341	I283-L314 HydrophobicContact CB-CD2 3.86Å; I283-L314 HydrophobicContact CD1-CD2 4.39Å; I283-L314 HydrophobicContact CG2-CD2 4.32Å; I283-L314 WeakPolarHBondContact O-CA 3.42Å; I285-L314 HydrophobicContact CD1-CD2 4.37Å; L302-L314 HydrophobicContact CD1-CD1 4.26Å; L302-L314 HydrophobicContact CD2-CD1 3.83Å; F306-L314 HydrophobicContact CE2-CD1 4.09Å; F306-L314 HydrophobicContact CE2-CD2 4.49Å; F306-L314 HydrophobicContact CE2-CG 4.34Å; F306-L314 HydrophobicContact CZ-CD2 4.2Å; F306-L314 HydrophobicContact CZ-CG 4.29Å; L314-L316 HydrophobicContact CB-CD2 4.27Å; L314-L316 HydrophobicContact CB-CG 4.36Å; L314-F340 HydrophobicContact CB-CB 4.41Å; L314-F340 HydrophobicContact CB-CD1 3.98Å; L314-F340 HydrophobicContact CB-CD2 3.85Å; L314-F340 HydrophobicContact CB-CE1 4.17Å; L314-F340 HydrophobicContact CB-CE2 4.05Å; L314-F340 HydrophobicContact CB-CG 3.82Å; L314-F340 HydrophobicContact CB-CZ 4.19Å; L314-F340 HydrophobicContact CD1-CD2 4.02Å; L314-F340 HydrophobicContact CD1-CE2 3.55Å; L314-F340 HydrophobicContact CD1-CZ 3.94Å; L314-F340 HydrophobicContact CG-CD1 4.32Å; L314-F340 HydrophobicContact CG-CD2 4.07Å; L314-F340 HydrophobicContact CG-CE1 3.99Å; L314-F340 HydrophobicContact CG-CE2 3.71Å; L314-F340 HydrophobicContact CG-CG 4.36Å; L314-F340 HydrophobicContact CG-CZ 3.66Å; L314-F340 CarbonylContact O-C 3.45Å; L314-F340 VanDerWaalsContact O-CA 3.25Å; L314-F340 WeakPolarHBondContact O-CA 3.09Å; L314-I341 PolarHBondContact O-N 2.66Å
315	H	92.8	Very high	84.9	Confident	5 Å²	5	46 Å²	46	2%	0.023	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	100.3	169.5	-169.3	118	0	0	0	108.1	F175 V282 I283 I284 I285 I341	F175-H315 PolarHBondContact O-NE2 3.25Å; V282-H315 HydrophobicContact CG1-CB 4.17Å; I283-H315 PolarHBondContact O-N 2.94Å; I284-H315 CarbonylContact C-O 3.6Å; I284-H315 WeakPolarHBondContact CA-O 3.34Å; I284-H315 HydrophobicContact CG1-CB 4.23Å; I285-H315 PolarHBondContact N-O 2.96Å; H315-I341 CarbonylContact C-O 3.5Å
316	L	94.1	Very high	84.9	Confident	3 Å²	3	44.1 Å²	44.1	2%	0.016	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	114.2	-172.7	-58.3	177.4	0	0	0	109.5	I285 L314 L330 L333 A334 I341 H343	I285-L316 HydrophobicContact CB-CD2 3.91Å; I285-L316 HydrophobicContact CD1-CD2 3.77Å; I285-L316 HydrophobicContact CG1-CD2 4.1Å; L314-L316 HydrophobicContact CB-CD2 4.27Å; L314-L316 HydrophobicContact CB-CG 4.36Å; L316-L330 HydrophobicContact CB-CD2 4.45Å; L316-L330 HydrophobicContact CD1-CD2 4.49Å; L316-L330 VanDerWaalsContact CD1-O 3.29Å; L316-L330 WeakPolarHBondContact CD1-O 3.28Å; L316-L333 HydrophobicContact CD1-CB 3.58Å; L316-A334 HydrophobicContact CD1-CB 4.26Å; L316-I341 PolarHBondContact N-O 2.76Å; L316-H343 PolarHBondContact O-N 3.26Å
317	V	93.8	Very high	85.1	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	116.3	178.1	-174.4	0	0	0	0	109.7	F175 I284 I285 V286 C287 Y319 H343	F175-V317 HydrophobicContact CD1-CG1 4.15Å; I284-V317 HydrophobicContact CG2-CG2 4.34Å; I285-V317 PolarHBondContact O-N 3.04Å; V286-V317 HydrophobicContact CG1-CB 4.41Å; V286-V317 HydrophobicContact CG1-CG1 4.46Å; V286-V317 HydrophobicContact CG2-CB 4.33Å; V286-V317 HydrophobicContact CG2-CG2 4.46Å; C287-V317 PolarHBondContact N-O 3.36Å; V317-Y319 PolarHBondContact O-N 3.49Å; V317-H343 CarbonylContact C-O 3.56Å; V317-H343 WeakPolarHBondContact CA-O 3.5Å
318	A	93.3	Very high	85.4	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	99.3	166	0	0	0	0	0	109.1	C321 N327 L330 Y342 H343 Y345	A318-C321 HydrophobicContact CB-CB 4.38Å; A318-N327 WeakPolarHBondContact CB-OD1 3.38Å; A318-L330 HydrophobicContact CB-CD1 3.78Å; A318-Y342 HydrophobicContact CB-CE2 4.02Å; A318-H343 PolarHBondContact N-O 3.22Å; A318-Y345 PolarHBondContact O-N 2.76Å
319	Y	91.7	Very high	86.2	Confident	2 Å²	2	43 Å²	43	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	103.7	-177.4	-176.3	-89.7	0	0	0	111.1	I174 F175 R198 F202 H205 V286 C287 G288 V317 C321 Y345	I174-Y319 HydrophobicContact CG2-CD2 4.16Å; I174-Y319 HydrophobicContact CG2-CE2 3.87Å; F175-Y319 HydrophobicContact CE1-CD2 4.22Å; F175-Y319 HydrophobicContact CZ-CE2 4.41Å; R198-Y319 PolarHBondContact NH2-O 3.31Å; F202-Y319 WeakPolarHBondContact CA-OH 3.39Å; F202-Y319 HydrophobicContact CB-CE1 4.03Å; F202-Y319 AromaticContact CD2-CD1 3.56Å; F202-Y319 HydrophobicContact CD2-CD1 3.56Å; F202-Y319 HydrophobicContact CD2-CD2 4.12Å; F202-Y319 AromaticContact CD2-CE1 3.36Å; F202-Y319 HydrophobicContact CD2-CE1 3.36Å; F202-Y319 AromaticContact CD2-CE2 3.92Å; F202-Y319 HydrophobicContact CD2-CE2 3.92Å; F202-Y319 AromaticContact CD2-CG 3.96Å; F202-Y319 HydrophobicContact CD2-CG 3.96Å; F202-Y319 AromaticContact CD2-CZ 3.56Å; F202-Y319 AromaticContact CE2-CD1 3.85Å; F202-Y319 HydrophobicContact CE2-CD1 3.85Å; F202-Y319 HydrophobicContact CE2-CD2 4.19Å; F202-Y319 HydrophobicContact CE2-CE1 4.13Å; F202-Y319 HydrophobicContact CE2-CE2 4.42Å; F202-Y319 AromaticContact CE2-CG 3.9Å; F202-Y319 HydrophobicContact CE2-CG 3.9Å; F202-Y319 HydrophobicContact CG-CD1 4.47Å; F202-Y319 HydrophobicContact CG-CE1 4.06Å; H205-Y319 HydrophobicContact CB-CE2 4.37Å; H205-Y319 AromaticContact ND1-CE2 3.5Å; H205-Y319 AromaticContact ND1-CZ 3.66Å; H205-Y319 PolarHBondContact ND1-OH 3.04Å; V286-Y319 HydrophobicContact CG1-CG 4.39Å; C287-Y319 PolarHBondContact O-N 2.88Å; G288-Y319 WeakPolarHBondContact CA-O 3.19Å; V317-Y319 PolarHBondContact O-N 3.49Å; Y319-C321 PolarHBondContact O-N 3Å; Y319-C321 VanDerWaalsContact O-N 3.13Å; Y319-Y345 HydrophobicContact CD2-CD1 4.13Å; Y319-Y345 HydrophobicContact CE2-CD1 4.11Å; Y319-Y345 HydrophobicContact CE2-CE1 4.22Å
320	D	87.5	Confident	86.9	Confident	8 Å²	8	40.9 Å²	40.9	4%	0.043	21%	0.208	C	C	.	.	S	Bend	trans	53.1	35	176.6	-160.2	48.9	0	0	0	112.9	R198 R322 Y345 T347	R198-D320 IonicContact NE-OD2 3.94Å; R198-D320 PolarHBondContact NH2-O 3.34Å; D320-R322 PolarHBondContact O-N 3.46Å; D320-Y345 VanDerWaalsContact CA-O 3.31Å; D320-Y345 WeakPolarHBondContact CA-O 3.4Å; D320-Y345 PolarHBondContact N-O 2.87Å; D320-T347 WeakPolarHBondContact OD1-CB 3.44Å; D320-T347 PolarHBondContact OD1-N 2.84Å; D320-T347 PolarHBondContact OD1-OG1 3.01Å
321	C	84.7	Confident	87.7	Confident	7 Å²	7	36.9 Å²	36.9	5%	0.047	19%	0.187	C	C	.	.			trans	-77	104.6	177.4	-66.4	0	0	0	0	110.7	C287 A318 Y319 N323 V326 N327	C287-C321 PolarHBondContact O-SG 3.42Å; A318-C321 HydrophobicContact CB-CB 4.38Å; Y319-C321 PolarHBondContact O-N 3Å; Y319-C321 VanDerWaalsContact O-N 3.13Å; C321-N323 VanDerWaalsContact C-N 3.35Å; C321-V326 HydrophobicContact CB-CB 4.31Å; C321-V326 HydrophobicContact CB-CG1 4.25Å; C321-N327 PolarHBondContact O-ND2 3.26Å
322	R	79.7	Confident	88.4	Confident	166 Å²	166	38.3 Å²	38.3	63%	0.626	19%	0.188	S	C	*	.			trans	-76.6	-20.3	179.6	-61.8	178	-176.2	-154.2	-11.7	114	D320 P324 E348	D320-R322 PolarHBondContact O-N 3.46Å; R322-P324 WeakPolarHBondContact O-CD 2.94Å; R322-E348 IonicContact CZ-OE1 2.63Å; R322-E348 IonicContact NH1-OE1 3.1Å; R322-E348 IonicContact NH2-OE1 3.11Å; R322-E348 PolarHBondContact NH2-OE1 2.9Å
323	N	82	Confident	88.8	Confident	61 Å²	61	37.9 Å²	37.9	33%	0.326	19%	0.185	S	C	.	.			trans	-84.4	117.1	179.2	-175.4	-8.8	0	0	0	109.5	Y290 C321 E325 V326	Y290-N323 WeakPolarHBondContact CD2-ND2 3.03Å; C321-N323 VanDerWaalsContact C-N 3.35Å; N323-E325 PolarHBondContact O-N 2.81Å; N323-E325 WeakPolarHBondContact OD1-CB 2.99Å; N323-E325 WeakPolarHBondContact OD1-CG 3.1Å; N323-E325 PolarHBondContact OD1-N 3.32Å; N323-V326 HydrophobicContact CB-CG2 4.15Å; N323-V326 PolarHBondContact O-N 3.17Å; N323-V326 VanDerWaalsContact O-N 3.14Å
324	P	83.7	Confident	88.8	Confident	94 Å²	94	34.9 Å²	34.9	61%	0.61	18%	0.175	S	C	*	.	H	α-helix	trans	-60.6	-26	179	26	-35.5	0	0	0	113.1	R322 V326 N327 Q328	R322-P324 WeakPolarHBondContact O-CD 2.94Å; P324-V326 VanDerWaalsContact C-N 3.28Å; P324-V326 PolarHBondContact O-N 3.01Å; P324-N327 PolarHBondContact O-N 3.32Å; P324-Q328 WeakPolarHBondContact O-CB 3.5Å; P324-Q328 PolarHBondContact O-N 3.11Å
325	E	85.4	Confident	88.7	Confident	104 Å²	104	40.1 Å²	40.1	49%	0.486	21%	0.208	S	C	.	.	H	α-helix	trans	-63	-34.1	177.2	-64.4	179.2	-178.3	0	0	112.3	Y290 N323 L329	Y290-E325 HydrophobicContact CE2-CB 3.84Å; Y290-E325 VanDerWaalsContact CE2-OE2 3.29Å; Y290-E325 WeakPolarHBondContact CE2-OE2 3.5Å; Y290-E325 PolarHBondContact OH-OE2 3.35Å; N323-E325 PolarHBondContact O-N 2.81Å; N323-E325 WeakPolarHBondContact OD1-CB 2.99Å; N323-E325 WeakPolarHBondContact OD1-CG 3.1Å; N323-E325 PolarHBondContact OD1-N 3.32Å; E325-L329 VanDerWaalsContact O-CB 3.24Å; E325-L329 WeakPolarHBondContact O-CB 2.92Å; E325-L329 PolarHBondContact O-N 3.1Å
326	V	86.8	Confident	88.4	Confident	3 Å²	3	42 Å²	42	2%	0.018	22%	0.217	C	C	.	.	H	α-helix	trans	-69.2	-43	176.2	-176.5	0	0	0	0	110.3	Y290 C321 N323 P324 Q328 L329 L330	Y290-V326 HydrophobicContact CD2-CG2 3.39Å; Y290-V326 HydrophobicContact CE2-CG2 4.3Å; Y290-V326 HydrophobicContact CG-CG2 4.01Å; C321-V326 HydrophobicContact CB-CB 4.31Å; C321-V326 HydrophobicContact CB-CG1 4.25Å; N323-V326 HydrophobicContact CB-CG2 4.15Å; N323-V326 PolarHBondContact O-N 3.17Å; N323-V326 VanDerWaalsContact O-N 3.14Å; P324-V326 VanDerWaalsContact C-N 3.28Å; P324-V326 PolarHBondContact O-N 3.01Å; V326-Q328 VanDerWaalsContact C-N 3.34Å; V326-L329 PolarHBondContact O-N 3.43Å; V326-L330 HydrophobicContact CG1-CD1 3.91Å; V326-L330 HydrophobicContact CG1-CG 4.3Å; V326-L330 WeakPolarHBondContact O-CB 3.1Å; V326-L330 VanDerWaalsContact O-CG 3.32Å; V326-L330 WeakPolarHBondContact O-CG 2.88Å; V326-L330 PolarHBondContact O-N 3.36Å
327	N	87.9	Confident	88	Confident	26 Å²	26	44 Å²	44	14%	0.139	23%	0.226	C	C	.	.	H	α-helix	trans	-63.6	-43.5	178.3	-66.6	-25.2	0	0	0	110.8	A318 C321 P324 L330 A331 Y342	A318-N327 WeakPolarHBondContact CB-OD1 3.38Å; C321-N327 PolarHBondContact O-ND2 3.26Å; P324-N327 PolarHBondContact O-N 3.32Å; N327-L330 PolarHBondContact O-N 2.98Å; N327-A331 VanDerWaalsContact O-CB 3.24Å; N327-A331 WeakPolarHBondContact O-CB 3.15Å; N327-A331 PolarHBondContact O-N 2.76Å; N327-Y342 WeakPolarHBondContact CA-OH 3.45Å; N327-Y342 VanDerWaalsContact CB-OH 3.23Å; N327-Y342 WeakPolarHBondContact CB-OH 3.48Å; N327-Y342 PolarHBondContact OD1-OH 2.77Å
328	Q	88.3	Confident	87.3	Confident	118 Å²	118	49.5 Å²	49.5	55%	0.551	26%	0.264	S	S	*	.	H	α-helix	trans	-63.7	-43.3	174.9	-173.2	175.8	7.4	0	0	111.9	P324 V326 A331 Q332	P324-Q328 WeakPolarHBondContact O-CB 3.5Å; P324-Q328 PolarHBondContact O-N 3.11Å; V326-Q328 VanDerWaalsContact C-N 3.34Å; Q328-A331 PolarHBondContact O-N 3.02Å; Q328-Q332 WeakPolarHBondContact O-CB 3Å; Q328-Q332 VanDerWaalsContact O-CG 3.22Å; Q328-Q332 WeakPolarHBondContact O-CG 3.23Å; Q328-Q332 PolarHBondContact O-N 3.15Å
329	L	90.5	Very high	86.8	Confident	9 Å²	9	51.1 Å²	51.1	5%	0.047	27%	0.273	C	S	.	.	H	α-helix	trans	-59.8	-52.5	175.7	173.6	59.3	0	0	0	111.2	P291 A295 E325 V326 A331 Q332 L333	P291-L329 HydrophobicContact CG-CD2 4.1Å; A295-L329 HydrophobicContact CB-CD1 3.5Å; A295-L329 HydrophobicContact CB-CD2 4.36Å; A295-L329 HydrophobicContact CB-CG 4.49Å; E325-L329 VanDerWaalsContact O-CB 3.24Å; E325-L329 WeakPolarHBondContact O-CB 2.92Å; E325-L329 PolarHBondContact O-N 3.1Å; V326-L329 PolarHBondContact O-N 3.43Å; L329-A331 VanDerWaalsContact C-N 3.33Å; L329-A331 PolarHBondContact O-N 3.32Å; L329-Q332 WeakPolarHBondContact O-CB 3.33Å; L329-Q332 PolarHBondContact O-N 3.44Å; L329-Q332 VanDerWaalsContact O-N 3.17Å; L329-L333 HydrophobicContact CD1-CD1 4.36Å; L329-L333 HydrophobicContact CD1-CD2 4.42Å; L329-L333 HydrophobicContact CD1-CG 4.15Å; L329-L333 HydrophobicContact CG-CD1 4.41Å; L329-L333 WeakPolarHBondContact O-CG 2.84Å; L329-L333 PolarHBondContact O-N 3.49Å
330	L	91.7	Very high	86.7	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.6	-38.1	-178.5	-67.6	174.5	0	0	0	112	C287 L316 A318 V326 N327 L333 A334 Y342	C287-L330 HydrophobicContact CB-CD1 3.91Å; L316-L330 HydrophobicContact CB-CD2 4.45Å; L316-L330 HydrophobicContact CD1-CD2 4.49Å; L316-L330 VanDerWaalsContact CD1-O 3.29Å; L316-L330 WeakPolarHBondContact CD1-O 3.28Å; A318-L330 HydrophobicContact CB-CD1 3.78Å; V326-L330 HydrophobicContact CG1-CD1 3.91Å; V326-L330 HydrophobicContact CG1-CG 4.3Å; V326-L330 WeakPolarHBondContact O-CB 3.1Å; V326-L330 VanDerWaalsContact O-CG 3.32Å; V326-L330 WeakPolarHBondContact O-CG 2.88Å; V326-L330 PolarHBondContact O-N 3.36Å; N327-L330 PolarHBondContact O-N 2.98Å; L330-L333 HydrophobicContact CD2-CD1 4.49Å; L330-L333 PolarHBondContact O-N 3.43Å; L330-A334 PolarHBondContact O-N 3.19Å; L330-Y342 HydrophobicContact CB-CD2 3.78Å; L330-Y342 HydrophobicContact CB-CE2 3.58Å
331	A	90.2	Very high	86.9	Confident	32 Å²	32	51.2 Å²	51.2	26%	0.264	27%	0.273	S	S	.	.	H	α-helix	trans	-62.1	-44.9	171.8	0	0	0	0	0	111.5	N327 Q328 L329 L333 A334 T335 Y342	N327-A331 VanDerWaalsContact O-CB 3.24Å; N327-A331 WeakPolarHBondContact O-CB 3.15Å; N327-A331 PolarHBondContact O-N 2.76Å; Q328-A331 PolarHBondContact O-N 3.02Å; L329-A331 VanDerWaalsContact C-N 3.33Å; L329-A331 PolarHBondContact O-N 3.32Å; A331-L333 VanDerWaalsContact C-N 3.34Å; A331-L333 PolarHBondContact O-N 3.41Å; A331-A334 WeakPolarHBondContact O-CB 3.43Å; A331-A334 PolarHBondContact O-N 3.07Å; A331-T335 WeakPolarHBondContact O-CG2 3.34Å; A331-T335 PolarHBondContact O-N 3.02Å; A331-Y342 HydrophobicContact CB-CD1 4.05Å; A331-Y342 HydrophobicContact CB-CD2 4.45Å; A331-Y342 HydrophobicContact CB-CE1 4.18Å; A331-Y342 HydrophobicContact CB-CG 4.19Å
332	Q	89.8	Confident	87.3	Confident	81 Å²	81	51.3 Å²	51.3	38%	0.379	27%	0.273	S	S	.	.	H	α-helix	trans	-60.1	-42.3	174.5	-76.8	172.3	-13.9	0	0	112	Q328 L329 A334 T335	Q328-Q332 WeakPolarHBondContact O-CB 3Å; Q328-Q332 VanDerWaalsContact O-CG 3.22Å; Q328-Q332 WeakPolarHBondContact O-CG 3.23Å; Q328-Q332 PolarHBondContact O-N 3.15Å; L329-Q332 WeakPolarHBondContact O-CB 3.33Å; L329-Q332 PolarHBondContact O-N 3.44Å; L329-Q332 VanDerWaalsContact O-N 3.17Å; Q332-A334 VanDerWaalsContact C-N 3.3Å; Q332-A334 PolarHBondContact O-N 2.76Å; Q332-T335 PolarHBondContact O-N 3.32Å; Q332-T335 PolarHBondContact O-OG1 3.04Å
333	L	90.7	Very high	87.9	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-64	-35.1	176.5	-66.4	-174.9	0	0	0	112.3	I298 Q299 L302 L316 L329 L330 A331 T335 I336	I298-L333 HydrophobicContact CG2-CD1 3.82Å; I298-L333 HydrophobicContact CG2-CD2 4.32Å; Q299-L333 HydrophobicContact CB-CD2 4.04Å; L302-L333 HydrophobicContact CD1-CB 4.41Å; L302-L333 HydrophobicContact CD1-CD1 3.98Å; L302-L333 HydrophobicContact CD1-CD2 3.79Å; L302-L333 HydrophobicContact CD1-CG 4.26Å; L316-L333 HydrophobicContact CD1-CB 3.58Å; L329-L333 HydrophobicContact CD1-CD1 4.36Å; L329-L333 HydrophobicContact CD1-CD2 4.42Å; L329-L333 HydrophobicContact CD1-CG 4.15Å; L329-L333 HydrophobicContact CG-CD1 4.41Å; L329-L333 WeakPolarHBondContact O-CG 2.84Å; L329-L333 PolarHBondContact O-N 3.49Å; L330-L333 HydrophobicContact CD2-CD1 4.49Å; L330-L333 PolarHBondContact O-N 3.43Å; A331-L333 VanDerWaalsContact C-N 3.34Å; A331-L333 PolarHBondContact O-N 3.41Å; L333-T335 VanDerWaalsContact C-N 3.26Å; L333-T335 PolarHBondContact O-N 3.35Å; L333-I336 HydrophobicContact CD2-CD1 3.91Å; L333-I336 WeakPolarHBondContact O-CB 3.37Å; L333-I336 WeakPolarHBondContact O-CG1 3.41Å; L333-I336 PolarHBondContact O-N 3.31Å
334	A	89.9	Confident	88.3	Confident	8 Å²	8	40.9 Å²	40.9	7%	0.066	23%	0.229	C	C	.	.	H	α-helix	trans	-67.2	-24.9	173.6	0	0	0	0	0	112.8	L316 L330 A331 Q332 I336 K337 F340	L316-A334 HydrophobicContact CD1-CB 4.26Å; L330-A334 PolarHBondContact O-N 3.19Å; A331-A334 WeakPolarHBondContact O-CB 3.43Å; A331-A334 PolarHBondContact O-N 3.07Å; Q332-A334 VanDerWaalsContact C-N 3.3Å; Q332-A334 PolarHBondContact O-N 2.76Å; A334-I336 VanDerWaalsContact C-N 3.3Å; A334-I336 PolarHBondContact O-N 3.48Å; A334-K337 VanDerWaalsContact O-O 3.09Å; A334-F340 HydrophobicContact CB-CB 4.39Å
335	T	88.7	Confident	88.7	Confident	114 Å²	114	37.3 Å²	37.3	70%	0.699	20%	0.204	S	C	*	.	H	α-helix	trans	-74.9	-13	177	65.2	0	0	0	0	114.9	A331 Q332 L333 K337	A331-T335 WeakPolarHBondContact O-CG2 3.34Å; A331-T335 PolarHBondContact O-N 3.02Å; Q332-T335 PolarHBondContact O-N 3.32Å; Q332-T335 PolarHBondContact O-OG1 3.04Å; L333-T335 VanDerWaalsContact C-N 3.26Å; L333-T335 PolarHBondContact O-N 3.35Å; T335-K337 PolarHBondContact O-N 3.01Å
336	I	86.5	Confident	88.8	Confident	43 Å²	43	33.8 Å²	33.8	22%	0.221	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-35.7	-179.5	-64.8	172.6	0	0	0	111.2	Q299 L302 E303 L333 A334	Q299-I336 HydrophobicContact CG-CD1 4.24Å; L302-I336 HydrophobicContact CB-CD1 3.69Å; L302-I336 HydrophobicContact CD1-CD1 4.25Å; E303-I336 HydrophobicContact CG-CD1 4.2Å; E303-I336 HydrophobicContact CG-CG1 4.24Å; E303-I336 HydrophobicContact CG-CG2 3.99Å; L333-I336 HydrophobicContact CD2-CD1 3.91Å; L333-I336 WeakPolarHBondContact O-CB 3.37Å; L333-I336 WeakPolarHBondContact O-CG1 3.41Å; L333-I336 PolarHBondContact O-N 3.31Å; A334-I336 VanDerWaalsContact C-N 3.3Å; A334-I336 PolarHBondContact O-N 3.48Å
337	K	85.3	Confident	88.6	Confident	47 Å²	47	35.4 Å²	35.4	20%	0.204	20%	0.198	C	C	.	.	S	Bend	trans	-144.7	137.3	179.3	-157.4	179.4	165.6	-156.9	0	110.7	L309 T310 A334 T335 D339 F340	L309-K337 PolarHBondContact O-NZ 2.73Å; T310-K337 VanDerWaalsContact C-NZ 3.31Å; T310-K337 PolarHBondContact O-NZ 3.19Å; A334-K337 VanDerWaalsContact O-O 3.09Å; T335-K337 PolarHBondContact O-N 3.01Å; K337-D339 WeakPolarHBondContact CB-OD1 3.4Å; K337-D339 WeakPolarHBondContact CD-OD1 3.29Å; K337-D339 WeakPolarHBondContact CE-OD1 3.37Å; K337-D339 WeakPolarHBondContact CE-OD2 3.48Å; K337-D339 WeakPolarHBondContact CG-OD1 3.46Å; K337-D339 IonicContact NZ-OD1 3.08Å; K337-D339 IonicContact NZ-OD2 2.71Å; K337-D339 PolarHBondContact NZ-OD2 3.16Å; K337-D339 PolarHBondContact O-N 3.01Å; K337-F340 HydrophobicContact CB-CD1 4.11Å; K337-F340 HydrophobicContact CB-CD2 4.19Å; K337-F340 HydrophobicContact CB-CE1 4.05Å; K337-F340 HydrophobicContact CB-CE2 4.14Å; K337-F340 HydrophobicContact CB-CG 4.19Å; K337-F340 HydrophobicContact CB-CZ 4.08Å; K337-F340 HydrophobicContact CD-CE1 4.09Å; K337-F340 HydrophobicContact CD-CZ 4.38Å; K337-F340 WeakPolarHBondContact O-CB 3.41Å; K337-F340 PolarHBondContact O-N 3Å
338	S	79.3	Confident	88.1	Confident	114 Å²	114	38.3 Å²	38.3	80%	0.797	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-16.7	-172.1	59.1	0	0	0	0	115.3
339	D	83.1	Confident	87.7	Confident	34 Å²	34	35.9 Å²	35.9	18%	0.182	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-6.3	179.7	61.3	-8.6	0	0	0	113.2	R313 K337	R313-D339 HydrophobicContact CG-CB 4.1Å; R313-D339 WeakPolarHBondContact CG-OD2 3.17Å; R313-D339 VanDerWaalsContact CZ-O 3.31Å; R313-D339 PolarHBondContact NE-O 3.03Å; R313-D339 PolarHBondContact NH2-O 2.54Å; K337-D339 WeakPolarHBondContact CB-OD1 3.4Å; K337-D339 WeakPolarHBondContact CD-OD1 3.29Å; K337-D339 WeakPolarHBondContact CE-OD1 3.37Å; K337-D339 WeakPolarHBondContact CE-OD2 3.48Å; K337-D339 WeakPolarHBondContact CG-OD1 3.46Å; K337-D339 IonicContact NZ-OD1 3.08Å; K337-D339 IonicContact NZ-OD2 2.71Å; K337-D339 PolarHBondContact NZ-OD2 3.16Å; K337-D339 PolarHBondContact O-N 3.01Å
340	F	89.8	Confident	87.1	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.009	21%	0.214	C	C	.	.			trans	-79.2	151.3	173.8	-65.1	1	0	0	0	110.4	F306 R313 L314 A334 K337	F306-F340 HydrophobicContact CB-CZ 4.49Å; F306-F340 AromaticContact CD1-CZ 3.92Å; F306-F340 HydrophobicContact CD1-CZ 3.92Å; F306-F340 HydrophobicContact CD2-CE2 4.36Å; F306-F340 AromaticContact CD2-CZ 3.92Å; F306-F340 HydrophobicContact CD2-CZ 3.92Å; F306-F340 HydrophobicContact CE1-CZ 4.1Å; F306-F340 HydrophobicContact CE2-CZ 4.09Å; F306-F340 AromaticContact CG-CZ 3.84Å; F306-F340 HydrophobicContact CG-CZ 3.84Å; F306-F340 HydrophobicContact CZ-CZ 4.16Å; R313-F340 HydrophobicContact CB-CD1 4.46Å; L314-F340 HydrophobicContact CB-CB 4.41Å; L314-F340 HydrophobicContact CB-CD1 3.98Å; L314-F340 HydrophobicContact CB-CD2 3.85Å; L314-F340 HydrophobicContact CB-CE1 4.17Å; L314-F340 HydrophobicContact CB-CE2 4.05Å; L314-F340 HydrophobicContact CB-CG 3.82Å; L314-F340 HydrophobicContact CB-CZ 4.19Å; L314-F340 HydrophobicContact CD1-CD2 4.02Å; L314-F340 HydrophobicContact CD1-CE2 3.55Å; L314-F340 HydrophobicContact CD1-CZ 3.94Å; L314-F340 HydrophobicContact CG-CD1 4.32Å; L314-F340 HydrophobicContact CG-CD2 4.07Å; L314-F340 HydrophobicContact CG-CE1 3.99Å; L314-F340 HydrophobicContact CG-CE2 3.71Å; L314-F340 HydrophobicContact CG-CG 4.36Å; L314-F340 HydrophobicContact CG-CZ 3.66Å; L314-F340 CarbonylContact O-C 3.45Å; L314-F340 VanDerWaalsContact O-CA 3.25Å; L314-F340 WeakPolarHBondContact O-CA 3.09Å; A334-F340 HydrophobicContact CB-CB 4.39Å; K337-F340 HydrophobicContact CB-CD1 4.11Å; K337-F340 HydrophobicContact CB-CD2 4.19Å; K337-F340 HydrophobicContact CB-CE1 4.05Å; K337-F340 HydrophobicContact CB-CE2 4.14Å; K337-F340 HydrophobicContact CB-CG 4.19Å; K337-F340 HydrophobicContact CB-CZ 4.08Å; K337-F340 HydrophobicContact CD-CE1 4.09Å; K337-F340 HydrophobicContact CD-CZ 4.38Å; K337-F340 WeakPolarHBondContact O-CB 3.41Å; K337-F340 PolarHBondContact O-N 3Å
341	I	90.2	Very high	86.6	Confident	11 Å²	11	41.8 Å²	41.8	6%	0.056	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	127.4	-175.3	-59.9	175.8	0	0	0	108.7	L314 H315 L316 D357 E358	L314-I341 PolarHBondContact O-N 2.66Å; H315-I341 CarbonylContact C-O 3.5Å; L316-I341 PolarHBondContact N-O 2.76Å; I341-D357 HydrophobicContact CG2-CB 4.47Å; I341-E358 HydrophobicContact CG2-CG 4.38Å
342	Y	93.1	Very high	86.2	Confident	9 Å²	9	40.8 Å²	40.8	4%	0.035	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	128.8	165.7	175.8	-113.3	0	0	0	110.7	A318 N327 L330 A331 C344 S356 D357	A318-Y342 HydrophobicContact CB-CE2 4.02Å; N327-Y342 WeakPolarHBondContact CA-OH 3.45Å; N327-Y342 VanDerWaalsContact CB-OH 3.23Å; N327-Y342 WeakPolarHBondContact CB-OH 3.48Å; N327-Y342 PolarHBondContact OD1-OH 2.77Å; L330-Y342 HydrophobicContact CB-CD2 3.78Å; L330-Y342 HydrophobicContact CB-CE2 3.58Å; A331-Y342 HydrophobicContact CB-CD1 4.05Å; A331-Y342 HydrophobicContact CB-CD2 4.45Å; A331-Y342 HydrophobicContact CB-CE1 4.18Å; A331-Y342 HydrophobicContact CB-CG 4.19Å; Y342-C344 HydrophobicContact CE1-CB 3.98Å; Y342-C344 WeakPolarHBondContact OH-CB 3.44Å; Y342-S356 WeakPolarHBondContact O-CA 3.26Å; Y342-D357 PolarHBondContact N-OD2 3Å; Y342-D357 PolarHBondContact O-N 3.23Å
343	H	92.8	Very high	86	Confident	5 Å²	5	37 Å²	37	2%	0.023	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	128.8	172.4	-172.3	80.3	0	0	0	110.8	K172 K173 I174 F175 G176 L316 V317 A318 S356	K172-H343 PolarHBondContact O-CE1 2.78Å; K173-H343 PolarHBondContact O-CE1 3.08Å; K173-H343 PolarHBondContact O-NE2 2.68Å; I174-H343 PolarHBondContact O-CD2 2.58Å; I174-H343 PolarHBondContact O-NE2 2.95Å; F175-H343 VanDerWaalsContact C-CD2 3.44Å; G176-H343 WeakPolarHBondContact CA-ND1 3.44Å; G176-H343 PolarHBondContact N-CD2 3.27Å; G176-H343 PolarHBondContact N-CE1 3.38Å; G176-H343 PolarHBondContact N-NE2 3.07Å; L316-H343 PolarHBondContact O-N 3.26Å; V317-H343 CarbonylContact C-O 3.56Å; V317-H343 WeakPolarHBondContact CA-O 3.5Å; A318-H343 PolarHBondContact N-O 3.22Å; H343-S356 WeakPolarHBondContact CA-OG 3.41Å; H343-S356 PolarHBondContact CE1-OG 3.39Å; H343-S356 WeakPolarHBondContact ND1-CB 3.31Å; H343-S356 PolarHBondContact ND1-OG 3.43Å
344	C	91.4	Very high	85.8	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.014	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.1	178.7	-173.7	0	0	0	0	110.9	Y342 V353 S356	Y342-C344 HydrophobicContact CE1-CB 3.98Å; Y342-C344 WeakPolarHBondContact OH-CB 3.44Å; C344-V353 WeakPolarHBondContact O-CA 3.44Å; C344-S356 PolarHBondContact N-OG 3.35Å
345	Y	90.9	Very high	85.7	Confident	20 Å²	20	45.1 Å²	45.1	8%	0.078	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	128.2	171.9	173.2	-99.5	0	0	0	110.5	I174 H205 A318 Y319 D320 V353	I174-Y345 HydrophobicContact CB-CD2 4.23Å; I174-Y345 HydrophobicContact CB-CE2 4.39Å; I174-Y345 HydrophobicContact CB-CG 4.32Å; I174-Y345 HydrophobicContact CG1-CD2 4.09Å; I174-Y345 HydrophobicContact CG1-CE2 3.77Å; I174-Y345 HydrophobicContact CG2-CD1 3.83Å; I174-Y345 HydrophobicContact CG2-CD2 4.34Å; I174-Y345 HydrophobicContact CG2-CE1 4.03Å; I174-Y345 HydrophobicContact CG2-CE2 4.5Å; I174-Y345 HydrophobicContact CG2-CG 3.99Å; I174-Y345 VanDerWaalsContact O-CB 3.25Å; I174-Y345 WeakPolarHBondContact O-CB 3.49Å; H205-Y345 PolarHBondContact CE1-OH 2.95Å; A318-Y345 PolarHBondContact O-N 2.76Å; Y319-Y345 HydrophobicContact CD2-CD1 4.13Å; Y319-Y345 HydrophobicContact CE2-CD1 4.11Å; Y319-Y345 HydrophobicContact CE2-CE1 4.22Å; D320-Y345 VanDerWaalsContact CA-O 3.31Å; D320-Y345 WeakPolarHBondContact CA-O 3.4Å; D320-Y345 PolarHBondContact N-O 2.87Å; Y345-V353 HydrophobicContact CD2-CG2 4.36Å
346	L	87.7	Confident	85.7	Confident	29 Å²	29	39.8 Å²	39.8	15%	0.152	22%	0.216	C	C	.	.			trans	-128	125.4	176.2	-88.9	152.2	0	0	0	109.1	E348 N349 A352	L346-E348 PolarHBondContact O-N 2.77Å; L346-N349 PolarHBondContact O-N 3.16Å; L346-A352 HydrophobicContact CB-CB 4.04Å; L346-A352 HydrophobicContact CD1-CB 3.46Å; L346-A352 VanDerWaalsContact CD1-CB 3.46Å; L346-A352 HydrophobicContact CG-CB 4.27Å
347	T	83.3	Confident	85.9	Confident	38 Å²	38	39.7 Å²	39.7	23%	0.233	22%	0.216	C	C	.	.	S	Bend	trans	-67.6	-24.4	-177.2	-53.9	0	0	0	0	111.9	D320	D320-T347 WeakPolarHBondContact OD1-CB 3.44Å; D320-T347 PolarHBondContact OD1-N 2.84Å; D320-T347 PolarHBondContact OD1-OG1 3.01Å
348	E	76.8	Confident	86	Confident	87 Å²	87	37.7 Å²	37.7	41%	0.407	21%	0.208	S	C	.	.	S	Bend	trans	-92.7	-23.1	-178.5	-60.6	-173.1	171.4	0	0	113.8	R322 L346 K1236	R322-E348 IonicContact CZ-OE1 2.63Å; R322-E348 IonicContact NH1-OE1 3.1Å; R322-E348 IonicContact NH2-OE1 3.11Å; R322-E348 PolarHBondContact NH2-OE1 2.9Å; L346-E348 PolarHBondContact O-N 2.77Å; E348-K1236 HydrophobicContact CB-CD 4.19Å; E348-K1236 HydrophobicContact CG-CD 3.96Å
349	N	79.5	Confident	86.6	Confident	67 Å²	67	32.5 Å²	32.5	36%	0.358	17%	0.171	S	C	.	.			trans	-139.7	101	-173.2	-177	6.2	0	0	0	111.5	L346 S351 A352	L346-N349 PolarHBondContact O-N 3.16Å; N349-S351 PolarHBondContact ND2-OG 2.71Å; N349-S351 VanDerWaalsContact ND2-OG 3.09Å; N349-S351 PolarHBondContact O-N 2.91Å; N349-S351 WeakPolarHBondContact OD1-CB 3.44Å; N349-S351 PolarHBondContact OD1-N 3.34Å; N349-S351 PolarHBondContact OD1-OG 2.96Å; N349-A352 WeakPolarHBondContact O-CB 3.4Å; N349-A352 PolarHBondContact O-N 3.29Å
350	E	77.7	Confident	86.9	Confident	64 Å²	64	32.7 Å²	32.7	30%	0.299	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-67.2	-20.3	179.8	-50.1	-154.5	146.8	0	0	113.2	K173 A352 V353 K1233	K173-E350 IonicContact NZ-OE1 2.83Å; K173-E350 PolarHBondContact NZ-OE1 3.28Å; K173-E350 IonicContact NZ-OE2 3.31Å; K173-E350 PolarHBondContact NZ-OE2 3.23Å; E350-A352 PolarHBondContact O-N 3.45Å; E350-V353 PolarHBondContact O-N 3.18Å; E350-K1233 VanDerWaalsContact CD-CD 3.45Å; E350-K1233 WeakPolarHBondContact OE1-CD 3.42Å; E350-K1233 WeakPolarHBondContact OE1-CE 3.32Å; E350-K1233 WeakPolarHBondContact OE1-CG 3.43Å; E350-K1233 IonicContact OE1-NZ 3.94Å; E350-K1233 PolarHBondContact OE1-NZ 3.11Å; E350-K1233 IonicContact OE2-NZ 2.75Å
351	S	81	Confident	86.9	Confident	69 Å²	69	35.5 Å²	35.5	48%	0.483	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-66.3	-21.2	178.3	71.1	0	0	0	0	112.6	N349 V353 Y354	N349-S351 PolarHBondContact ND2-OG 2.71Å; N349-S351 VanDerWaalsContact ND2-OG 3.09Å; N349-S351 PolarHBondContact O-N 2.91Å; N349-S351 WeakPolarHBondContact OD1-CB 3.44Å; N349-S351 PolarHBondContact OD1-N 3.34Å; N349-S351 PolarHBondContact OD1-OG 2.96Å; S351-V353 PolarHBondContact O-N 3.36Å; S351-Y354 WeakPolarHBondContact O-CD2 3.49Å; S351-Y354 PolarHBondContact O-N 2.82Å
352	A	82.9	Confident	87	Confident	11 Å²	11	35 Å²	35	9%	0.091	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-64.3	-27.4	178	0	0	0	0	0	113	L346 N349 E350 Y354 T355	L346-A352 HydrophobicContact CB-CB 4.04Å; L346-A352 HydrophobicContact CD1-CB 3.46Å; L346-A352 VanDerWaalsContact CD1-CB 3.46Å; L346-A352 HydrophobicContact CG-CB 4.27Å; N349-A352 WeakPolarHBondContact O-CB 3.4Å; N349-A352 PolarHBondContact O-N 3.29Å; E350-A352 PolarHBondContact O-N 3.45Å; A352-Y354 PolarHBondContact O-N 3.45Å; A352-T355 WeakPolarHBondContact O-CB 3.46Å; A352-T355 PolarHBondContact O-N 3.47Å; A352-T355 PolarHBondContact O-OG1 3.41Å
353	V	85.2	Confident	86.9	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.006	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-65	-24.1	179	-171.6	0	0	0	0	111.6	M168 K173 C344 Y345 E350 S351 T355 S356 I359	M168-V353 HydrophobicContact CE-CB 4.3Å; M168-V353 HydrophobicContact SD-CB 4.08Å; M168-V353 HydrophobicContact SD-CG1 3.7Å; K173-V353 HydrophobicContact CG-CG1 4.45Å; K173-V353 HydrophobicContact CG-CG2 4.27Å; C344-V353 WeakPolarHBondContact O-CA 3.44Å; Y345-V353 HydrophobicContact CD2-CG2 4.36Å; E350-V353 PolarHBondContact O-N 3.18Å; S351-V353 PolarHBondContact O-N 3.36Å; V353-T355 PolarHBondContact O-N 2.89Å; V353-S356 WeakPolarHBondContact O-CB 3.39Å; V353-S356 PolarHBondContact O-N 3.07Å; V353-S356 VanDerWaalsContact O-N 3.08Å; V353-S356 PolarHBondContact O-OG 3.25Å; V353-S356 VanDerWaalsContact O-OG 3.07Å; V353-I359 HydrophobicContact CG1-CD1 3.7Å; V353-I359 WeakPolarHBondContact O-CD1 3.44Å
354	Y	87.3	Confident	86.9	Confident	102 Å²	102	44.1 Å²	44.1	40%	0.4	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-71.1	-11.3	175.8	-65.3	-94.3	0	0	0	113.5	I164 M168 S351 A352 S356 I359 L363	I164-Y354 HydrophobicContact CG2-CE1 4.09Å; M168-Y354 HydrophobicContact CE-CE2 4.22Å; S351-Y354 WeakPolarHBondContact O-CD2 3.49Å; S351-Y354 PolarHBondContact O-N 2.82Å; A352-Y354 PolarHBondContact O-N 3.45Å; Y354-S356 VanDerWaalsContact C-N 3.32Å; Y354-I359 HydrophobicContact CD1-CG2 3.62Å; Y354-I359 HydrophobicContact CE1-CG2 4.39Å; Y354-I359 HydrophobicContact CG-CG2 4.23Å; Y354-L363 HydrophobicContact CD1-CD1 4.2Å
355	T	87.2	Confident	86.9	Confident	79 Å²	79	45.9 Å²	45.9	49%	0.485	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-82.1	-10.8	170.8	67.6	0	0	0	0	113.1	A352 V353	A352-T355 WeakPolarHBondContact O-CB 3.46Å; A352-T355 PolarHBondContact O-N 3.47Å; A352-T355 PolarHBondContact O-OG1 3.41Å; V353-T355 PolarHBondContact O-N 2.89Å
356	S	89.4	Confident	87	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.007	24%	0.237	C	C	.	.	S	Bend	trans	-64.2	140.1	175.4	-61	0	0	0	0	111.3	Y342 H343 C344 V353 Y354 E358 I359 A360	Y342-S356 WeakPolarHBondContact O-CA 3.26Å; H343-S356 WeakPolarHBondContact CA-OG 3.41Å; H343-S356 PolarHBondContact CE1-OG 3.39Å; H343-S356 WeakPolarHBondContact ND1-CB 3.31Å; H343-S356 PolarHBondContact ND1-OG 3.43Å; C344-S356 PolarHBondContact N-OG 3.35Å; V353-S356 WeakPolarHBondContact O-CB 3.39Å; V353-S356 PolarHBondContact O-N 3.07Å; V353-S356 VanDerWaalsContact O-N 3.08Å; V353-S356 PolarHBondContact O-OG 3.25Å; V353-S356 VanDerWaalsContact O-OG 3.07Å; Y354-S356 VanDerWaalsContact C-N 3.32Å; S356-E358 VanDerWaalsContact C-N 3.26Å; S356-E358 PolarHBondContact O-N 3.23Å; S356-E358 VanDerWaalsContact O-N 3.15Å; S356-I359 PolarHBondContact O-N 3.08Å; S356-A360 WeakPolarHBondContact O-CB 3.35Å; S356-A360 PolarHBondContact O-N 3.11Å
357	D	89.5	Confident	87.1	Confident	41 Å²	41	48.1 Å²	48.1	22%	0.219	25%	0.249	C	C	.	.	H	α-helix	trans	-57.3	-36.8	-172.8	-72.7	-19.6	0	0	0	113.1	I341 Y342 R361	I341-D357 HydrophobicContact CG2-CB 4.47Å; Y342-D357 PolarHBondContact N-OD2 3Å; Y342-D357 PolarHBondContact O-N 3.23Å; D357-R361 WeakPolarHBondContact O-CG 3.48Å; D357-R361 PolarHBondContact O-N 2.93Å; D357-R361 PolarHBondContact O-NH1 2.91Å
358	E	88.2	Confident	87.4	Confident	6 Å²	6	48.6 Å²	48.6	3%	0.028	25%	0.25	C	S	.	.	H	α-helix	trans	-65	-42.2	179.2	-65.7	-164.4	114.8	0	0	112.2	T83 L167 L177 I341 S356	T83-E358 WeakPolarHBondContact CG2-O 3.45Å; L167-E358 HydrophobicContact CD1-CB 4.4Å; L177-E358 VanDerWaalsContact CB-OE2 3.25Å; L177-E358 WeakPolarHBondContact CB-OE2 3.32Å; L177-E358 PolarHBondContact N-OE2 3.28Å; I341-E358 HydrophobicContact CG2-CG 4.38Å; S356-E358 VanDerWaalsContact C-N 3.26Å; S356-E358 PolarHBondContact O-N 3.23Å; S356-E358 VanDerWaalsContact O-N 3.15Å
359	I	90.9	Very high	88	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-77.3	-39.2	179.4	-67.3	163	0	0	0	110.2	I164 L167 M168 V353 Y354 S356 R361 L362 L363	I164-I359 HydrophobicContact CG1-CG2 4.5Å; I164-I359 HydrophobicContact CG2-CG2 4.34Å; L167-I359 HydrophobicContact CD1-CG1 4.13Å; M168-I359 HydrophobicContact SD-CD1 3.99Å; V353-I359 HydrophobicContact CG1-CD1 3.7Å; V353-I359 WeakPolarHBondContact O-CD1 3.44Å; Y354-I359 HydrophobicContact CD1-CG2 3.62Å; Y354-I359 HydrophobicContact CE1-CG2 4.39Å; Y354-I359 HydrophobicContact CG-CG2 4.23Å; S356-I359 PolarHBondContact O-N 3.08Å; I359-R361 VanDerWaalsContact C-N 3.27Å; I359-R361 PolarHBondContact O-N 2.96Å; I359-L362 PolarHBondContact O-N 2.92Å; I359-L362 VanDerWaalsContact O-N 3.1Å; I359-L363 HydrophobicContact CG2-CD1 4.06Å; I359-L363 HydrophobicContact CG2-CG 4.2Å; I359-L363 WeakPolarHBondContact O-CG 3.26Å; I359-L363 PolarHBondContact O-N 3.1Å
360	A	90.3	Very high	88.4	Confident	39 Å²	39	46.2 Å²	46.2	32%	0.322	24%	0.237	S	C	.	.	H	α-helix	trans	-58.1	-37.3	176.3	0	0	0	0	0	112.5	S356 L363 K364	S356-A360 WeakPolarHBondContact O-CB 3.35Å; S356-A360 PolarHBondContact O-N 3.11Å; A360-L363 PolarHBondContact O-N 2.96Å; A360-K364 WeakPolarHBondContact O-CB 3.31Å; A360-K364 PolarHBondContact O-N 3.35Å
361	R	89.5	Confident	88.8	Confident	60 Å²	60	47.8 Å²	47.8	23%	0.226	24%	0.243	C	C	.	.	H	α-helix	trans	-65.3	-41.1	174.4	-72.6	-180	-157.2	108.9	-4.1	112.9	T83 N84 L87 D357 I359 K364 E365	T83-R361 HydrophobicContact CG2-CB 4.34Å; N84-R361 WeakPolarHBondContact OD1-CD 3.33Å; N84-R361 PolarHBondContact OD1-NE 2.87Å; L87-R361 HydrophobicContact CD1-CB 4.43Å; D357-R361 WeakPolarHBondContact O-CG 3.48Å; D357-R361 PolarHBondContact O-N 2.93Å; D357-R361 PolarHBondContact O-NH1 2.91Å; I359-R361 VanDerWaalsContact C-N 3.27Å; I359-R361 PolarHBondContact O-N 2.96Å; R361-K364 WeakPolarHBondContact O-CB 3.47Å; R361-K364 PolarHBondContact O-N 3.49Å; R361-E365 PolarHBondContact O-N 3.07Å; R361-E365 VanDerWaalsContact O-N 3.12Å
362	L	92	Very high	89	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-67.3	-40.9	175.3	-69.1	168	0	0	0	111.6	T83 W86 L87 Y160 R163 I164 L167 I359 K364 E365 I366	T83-L362 HydrophobicContact CG2-CD1 4.05Å; T83-L362 HydrophobicContact CG2-CD2 3.82Å; T83-L362 HydrophobicContact CG2-CG 3.58Å; W86-L362 HydrophobicContact CE3-CD2 4.3Å; W86-L362 HydrophobicContact CZ3-CD2 4.04Å; L87-L362 HydrophobicContact CD1-CD2 4.46Å; L87-L362 HydrophobicContact CD2-CD2 4.06Å; L87-L362 HydrophobicContact CG-CD2 4.33Å; Y160-L362 HydrophobicContact CD1-CD2 4.39Å; R163-L362 HydrophobicContact CB-CD1 4.17Å; R163-L362 HydrophobicContact CG-CD1 3.79Å; R163-L362 HydrophobicContact CG-CD2 4.37Å; I164-L362 HydrophobicContact CD1-CB 3.98Å; I164-L362 HydrophobicContact CG1-CB 3.9Å; I164-L362 HydrophobicContact CG1-CD1 3.66Å; I164-L362 HydrophobicContact CG1-CG 4.41Å; L167-L362 HydrophobicContact CD1-CD1 3.79Å; I359-L362 PolarHBondContact O-N 2.92Å; I359-L362 VanDerWaalsContact O-N 3.1Å; L362-K364 VanDerWaalsContact C-N 3.27Å; L362-K364 PolarHBondContact O-N 2.94Å; L362-E365 PolarHBondContact O-N 3.04Å; L362-I366 WeakPolarHBondContact O-CG1 3.35Å; L362-I366 PolarHBondContact O-N 2.86Å
363	L	92.3	Very high	89.1	Confident	71 Å²	71	46 Å²	46	37%	0.372	23%	0.227	S	C	.	.	H	α-helix	trans	-62.3	-36	174.3	-70.1	175.9	0	0	0	111.8	I164 Y354 I359 A360 I366 N367	I164-L363 HydrophobicContact CD1-CD2 4.02Å; I164-L363 HydrophobicContact CD1-CG 4.39Å; Y354-L363 HydrophobicContact CD1-CD1 4.2Å; I359-L363 HydrophobicContact CG2-CD1 4.06Å; I359-L363 HydrophobicContact CG2-CG 4.2Å; I359-L363 WeakPolarHBondContact O-CG 3.26Å; I359-L363 PolarHBondContact O-N 3.1Å; A360-L363 PolarHBondContact O-N 2.96Å; L363-I366 HydrophobicContact CD2-CD1 4.49Å; L363-I366 PolarHBondContact O-N 3.02Å; L363-N367 WeakPolarHBondContact O-CB 3.46Å; L363-N367 PolarHBondContact O-N 2.8Å
364	K	91.9	Very high	88.9	Confident	135 Å²	135	51.7 Å²	51.7	59%	0.587	25%	0.253	S	S	*	.	H	α-helix	trans	-62.8	-45.9	173.5	-173.9	-175.9	175.4	-174.7	0	111.8	A360 R361 L362 I366 N367 D368	A360-K364 WeakPolarHBondContact O-CB 3.31Å; A360-K364 PolarHBondContact O-N 3.35Å; R361-K364 WeakPolarHBondContact O-CB 3.47Å; R361-K364 PolarHBondContact O-N 3.49Å; L362-K364 VanDerWaalsContact C-N 3.27Å; L362-K364 PolarHBondContact O-N 2.94Å; K364-I366 VanDerWaalsContact C-N 3.33Å; K364-I366 PolarHBondContact O-N 3.39Å; K364-N367 PolarHBondContact O-N 3.43Å; K364-D368 PolarHBondContact O-N 3.25Å
365	E	91.7	Very high	88.5	Confident	40 Å²	40	48.5 Å²	48.5	19%	0.187	24%	0.244	C	C	.	.	H	α-helix	trans	-64.1	-36.9	176	-70.1	-84.4	159.3	0	0	112	L87 L92 Y160 R361 L362 D368 A369	L87-E365 HydrophobicContact CD1-CG 3.9Å; L87-E365 HydrophobicContact CD2-CB 4.37Å; L87-E365 HydrophobicContact CD2-CG 3.7Å; L87-E365 HydrophobicContact CG-CG 4.43Å; L92-E365 WeakPolarHBondContact CG-OE2 3.42Å; L92-E365 PolarHBondContact N-OE2 3.45Å; Y160-E365 HydrophobicContact CD2-CB 4.12Å; Y160-E365 HydrophobicContact CE2-CB 3.86Å; R361-E365 PolarHBondContact O-N 3.07Å; R361-E365 VanDerWaalsContact O-N 3.12Å; L362-E365 PolarHBondContact O-N 3.04Å; E365-D368 PolarHBondContact O-N 2.97Å; E365-A369 WeakPolarHBondContact O-CB 3.2Å; E365-A369 PolarHBondContact O-N 3.39Å
366	I	91.9	Very high	88.1	Confident	19 Å²	19	44.8 Å²	44.8	10%	0.097	22%	0.221	C	C	.	.	H	α-helix	trans	-62.7	-45.5	172.3	-68.1	168.4	0	0	0	110.6	I157 Y160 I164 L362 L363 K364 A369 Q370	I157-I366 HydrophobicContact CG2-CG2 4.44Å; Y160-I366 HydrophobicContact CD2-CG1 3.77Å; Y160-I366 HydrophobicContact CG-CG1 4.22Å; I164-I366 HydrophobicContact CD1-CD1 3.96Å; L362-I366 WeakPolarHBondContact O-CG1 3.35Å; L362-I366 PolarHBondContact O-N 2.86Å; L363-I366 HydrophobicContact CD2-CD1 4.49Å; L363-I366 PolarHBondContact O-N 3.02Å; K364-I366 VanDerWaalsContact C-N 3.33Å; K364-I366 PolarHBondContact O-N 3.39Å; I366-A369 WeakPolarHBondContact O-CB 3.13Å; I366-A369 PolarHBondContact O-N 3.09Å; I366-Q370 WeakPolarHBondContact O-CB 3.28Å; I366-Q370 VanDerWaalsContact O-CG 3.31Å; I366-Q370 WeakPolarHBondContact O-CG 3.27Å; I366-Q370 PolarHBondContact O-N 3.05Å
367	N	91.2	Very high	87.4	Confident	76 Å²	76	45.9 Å²	45.9	41%	0.406	23%	0.233	S	C	.	.	H	α-helix	trans	-64.4	-41	178.4	-173.8	41.7	0	0	0	111.9	L363 K364 Q370 K371	L363-N367 WeakPolarHBondContact O-CB 3.46Å; L363-N367 PolarHBondContact O-N 2.8Å; K364-N367 PolarHBondContact O-N 3.43Å; N367-Q370 PolarHBondContact O-N 3.02Å; N367-K371 WeakPolarHBondContact ND2-CE 3.4Å; N367-K371 WeakPolarHBondContact O-CG 3.26Å; N367-K371 PolarHBondContact O-N 3.08Å
368	D	89.2	Confident	86.6	Confident	48 Å²	48	47.7 Å²	47.7	26%	0.257	24%	0.24	S	C	.	.	H	α-helix	trans	-67.8	-37.1	176.3	-68.8	-20.3	0	0	0	111.1	L92 K364 E365 Q370 K371 V372	L92-D368 HydrophobicContact CD1-CB 4.02Å; K364-D368 PolarHBondContact O-N 3.25Å; E365-D368 PolarHBondContact O-N 2.97Å; D368-Q370 VanDerWaalsContact C-N 3.34Å; D368-Q370 PolarHBondContact O-N 2.88Å; D368-K371 PolarHBondContact O-N 3.01Å; D368-K371 IonicContact OD1-NZ 3.78Å; D368-K371 PolarHBondContact OD1-NZ 3.47Å; D368-V372 WeakPolarHBondContact O-CG2 3.14Å; D368-V372 PolarHBondContact O-N 3.3Å
369	A	89.2	Confident	85.8	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.2	-39.3	172	0	0	0	0	0	112	L92 L153 I157 E365 I366 V372 L373	L92-A369 HydrophobicContact CD1-CB 3.95Å; L92-A369 HydrophobicContact CD2-CB 3.95Å; L92-A369 HydrophobicContact CG-CB 4.48Å; L153-A369 HydrophobicContact CD2-CB 4.2Å; I157-A369 HydrophobicContact CD1-CB 4.13Å; I157-A369 HydrophobicContact CG1-CB 3.87Å; E365-A369 WeakPolarHBondContact O-CB 3.2Å; E365-A369 PolarHBondContact O-N 3.39Å; I366-A369 WeakPolarHBondContact O-CB 3.13Å; I366-A369 PolarHBondContact O-N 3.09Å; A369-V372 PolarHBondContact O-N 2.88Å; A369-L373 WeakPolarHBondContact O-CB 3.13Å; A369-L373 WeakPolarHBondContact O-CG 3.16Å; A369-L373 PolarHBondContact O-N 2.98Å
370	Q	88.7	Confident	84.7	Confident	104 Å²	104	51.4 Å²	51.4	49%	0.486	25%	0.254	S	S	.	.	H	α-helix	trans	-65.9	-40.7	176.1	-75.9	174.2	-32.2	0	0	112.1	I157 I366 N367 D368 V372 L373 E374	I157-Q370 HydrophobicContact CD1-CG 4.3Å; I366-Q370 WeakPolarHBondContact O-CB 3.28Å; I366-Q370 VanDerWaalsContact O-CG 3.31Å; I366-Q370 WeakPolarHBondContact O-CG 3.27Å; I366-Q370 PolarHBondContact O-N 3.05Å; N367-Q370 PolarHBondContact O-N 3.02Å; D368-Q370 VanDerWaalsContact C-N 3.34Å; D368-Q370 PolarHBondContact O-N 2.88Å; Q370-V372 VanDerWaalsContact C-N 3.35Å; Q370-L373 WeakPolarHBondContact O-CB 3.4Å; Q370-L373 PolarHBondContact O-N 3.32Å; Q370-E374 WeakPolarHBondContact O-CB 3.19Å; Q370-E374 PolarHBondContact O-N 3.4Å
371	K	85.6	Confident	83.5	Confident	98 Å²	98	55.1 Å²	55.1	43%	0.426	27%	0.265	S	S	.	.	H	α-helix	trans	-62.6	-41.2	172.4	-68.3	171.1	-163.7	157.9	0	112	N367 D368 E374 V375	N367-K371 WeakPolarHBondContact ND2-CE 3.4Å; N367-K371 WeakPolarHBondContact O-CG 3.26Å; N367-K371 PolarHBondContact O-N 3.08Å; D368-K371 PolarHBondContact O-N 3.01Å; D368-K371 IonicContact OD1-NZ 3.78Å; D368-K371 PolarHBondContact OD1-NZ 3.47Å; K371-E374 WeakPolarHBondContact O-CB 3.45Å; K371-E374 PolarHBondContact O-N 2.72Å; K371-V375 WeakPolarHBondContact O-CG2 3.5Å; K371-V375 PolarHBondContact O-N 3.23Å
372	V	84.4	Confident	82.2	Confident	13 Å²	13	55 Å²	55	8%	0.079	27%	0.267	C	S	.	.	H	α-helix	trans	-66.7	-40.7	175.6	180	0	0	0	0	110.3	L99 F149 L153 D368 A369 Q370 E374 V375 V376	L99-V372 HydrophobicContact CB-CG2 4.33Å; F149-V372 HydrophobicContact CE1-CG1 3.68Å; F149-V372 HydrophobicContact CZ-CG1 4.26Å; L153-V372 HydrophobicContact CD1-CB 4.29Å; L153-V372 HydrophobicContact CD1-CG1 3.77Å; L153-V372 HydrophobicContact CD2-CB 4.33Å; L153-V372 HydrophobicContact CD2-CG1 4.25Å; D368-V372 WeakPolarHBondContact O-CG2 3.14Å; D368-V372 PolarHBondContact O-N 3.3Å; A369-V372 PolarHBondContact O-N 2.88Å; Q370-V372 VanDerWaalsContact C-N 3.35Å; V372-E374 VanDerWaalsContact C-N 3.29Å; V372-E374 PolarHBondContact O-N 3.5Å; V372-V375 PolarHBondContact O-N 3.07Å; V372-V376 HydrophobicContact CG1-CG2 4.08Å; V372-V376 WeakPolarHBondContact O-CB 3.47Å; V372-V376 WeakPolarHBondContact O-CG2 3.42Å; V372-V376 PolarHBondContact O-N 3.41Å
373	L	86	Confident	80.7	Confident	29 Å²	29	57.3 Å²	57.3	15%	0.152	28%	0.278	C	S	.	.	H	α-helix	trans	-60.8	-36.3	172.6	-81.7	170.9	0	0	0	112.4	E150 L153 I157 A369 Q370 G377	E150-L373 HydrophobicContact CG-CD2 3.84Å; L153-L373 HydrophobicContact CB-CD1 4.28Å; L153-L373 HydrophobicContact CB-CD2 3.79Å; L153-L373 HydrophobicContact CB-CG 3.87Å; L153-L373 HydrophobicContact CD1-CD2 3.72Å; L153-L373 HydrophobicContact CD1-CG 3.82Å; L153-L373 HydrophobicContact CG-CD2 4.41Å; L153-L373 HydrophobicContact CG-CG 4.41Å; I157-L373 HydrophobicContact CD1-CD1 3.58Å; A369-L373 WeakPolarHBondContact O-CB 3.13Å; A369-L373 WeakPolarHBondContact O-CG 3.16Å; A369-L373 PolarHBondContact O-N 2.98Å; Q370-L373 WeakPolarHBondContact O-CB 3.4Å; Q370-L373 PolarHBondContact O-N 3.32Å; L373-G377 WeakPolarHBondContact O-CA 2.95Å; L373-G377 PolarHBondContact O-N 2.56Å
374	E	80.7	Confident	78.9	Confident	121 Å²	121	58.7 Å²	58.7	57%	0.565	28%	0.283	S	S	*	.	H	α-helix	trans	-64.6	-46.9	174	-171.9	176.3	-164.8	0	0	110.6	Q370 K371 V372 G377 H378	Q370-E374 WeakPolarHBondContact O-CB 3.19Å; Q370-E374 PolarHBondContact O-N 3.4Å; K371-E374 WeakPolarHBondContact O-CB 3.45Å; K371-E374 PolarHBondContact O-N 2.72Å; V372-E374 VanDerWaalsContact C-N 3.29Å; V372-E374 PolarHBondContact O-N 3.5Å; E374-G377 PolarHBondContact O-N 3Å; E374-H378 PolarHBondContact O-CD2 3.33Å; E374-H378 PolarHBondContact O-N 2.7Å
375	V	78.6	Confident	76.7	Confident	34 Å²	34	53.1 Å²	53.1	21%	0.206	26%	0.261	C	S	.	.	H	α-helix	trans	-64.1	-43.5	175.1	177.1	0	0	0	0	112.2	L99 F135 K371 V372 G377 H378 L379	L99-V375 HydrophobicContact CD1-CB 4.27Å; L99-V375 HydrophobicContact CD1-CG1 3.78Å; L99-V375 HydrophobicContact CD1-CG2 4.44Å; F135-V375 HydrophobicContact CE1-CG1 4.46Å; F135-V375 HydrophobicContact CZ-CG1 4.32Å; K371-V375 WeakPolarHBondContact O-CG2 3.5Å; K371-V375 PolarHBondContact O-N 3.23Å; V372-V375 PolarHBondContact O-N 3.07Å; V375-G377 VanDerWaalsContact C-N 3.31Å; V375-H378 PolarHBondContact O-N 2.93Å; V375-L379 HydrophobicContact CG1-CD1 4.46Å; V375-L379 PolarHBondContact O-N 3.17Å
376	V	79	Confident	74.5	Confident	1 Å²	1	54 Å²	54	1%	0.006	27%	0.271	C	S	.	.	H	α-helix	trans	-64.8	-38	175.7	173.4	0	0	0	0	110.2	F102 V146 F149 E150 L153 V372 L379 R380	F102-V376 HydrophobicContact CD1-CG2 4.02Å; F102-V376 HydrophobicContact CD2-CG2 4.04Å; F102-V376 HydrophobicContact CE1-CB 4.44Å; F102-V376 HydrophobicContact CE1-CG2 3.72Å; F102-V376 HydrophobicContact CE2-CG1 4.46Å; F102-V376 HydrophobicContact CE2-CG2 3.84Å; F102-V376 HydrophobicContact CG-CG2 4.17Å; F102-V376 HydrophobicContact CZ-CB 4.27Å; F102-V376 HydrophobicContact CZ-CG1 4.23Å; F102-V376 HydrophobicContact CZ-CG2 3.68Å; V146-V376 HydrophobicContact CG1-CG1 3.93Å; F149-V376 HydrophobicContact CD1-CG2 3.91Å; F149-V376 HydrophobicContact CE1-CG2 3.96Å; E150-V376 HydrophobicContact CB-CG1 4.45Å; L153-V376 HydrophobicContact CD1-CG2 4.34Å; V372-V376 HydrophobicContact CG1-CG2 4.08Å; V372-V376 WeakPolarHBondContact O-CB 3.47Å; V372-V376 WeakPolarHBondContact O-CG2 3.42Å; V372-V376 PolarHBondContact O-N 3.41Å; V376-L379 CarbonylContact O-C 3.33Å; V376-L379 PolarHBondContact O-N 3.11Å; V376-R380 WeakPolarHBondContact O-CB 3.42Å; V376-R380 PolarHBondContact O-N 3.39Å
377	G	75.7	Confident	72.1	Confident	25 Å²	25	57.5 Å²	57.5	26%	0.258	30%	0.298	S	S	.	.	H	α-helix	trans	-65.2	-41.2	174.9	0	0	0	0	0	112	L373 E374 V375 R380 Q381	L373-G377 WeakPolarHBondContact O-CA 2.95Å; L373-G377 PolarHBondContact O-N 2.56Å; E374-G377 PolarHBondContact O-N 3Å; V375-G377 VanDerWaalsContact C-N 3.31Å; G377-R380 PolarHBondContact O-N 3.23Å; G377-Q381 WeakPolarHBondContact O-CB 3.49Å; G377-Q381 WeakPolarHBondContact O-CG 3.02Å; G377-Q381 PolarHBondContact O-N 2.98Å
378	H	72.5	Confident	69.5	Low	78 Å²	78	54 Å²	54	36%	0.361	28%	0.279	S	S	.	.	H	α-helix	trans	-63.8	-44.7	170.6	-76.3	-59.1	0	0	0	111.8	F135 E374 V375 Q381 E382	F135-H378 HydrophobicContact CE1-CB 4.2Å; F135-H378 HydrophobicContact CZ-CB 4.1Å; E374-H378 PolarHBondContact O-CD2 3.33Å; E374-H378 PolarHBondContact O-N 2.7Å; V375-H378 PolarHBondContact O-N 2.93Å; H378-Q381 CarbonylContact O-C 3.59Å; H378-Q381 WeakPolarHBondContact O-CB 3.44Å; H378-Q381 PolarHBondContact O-N 3.37Å; H378-E382 WeakPolarHBondContact O-CB 3.47Å; H378-E382 WeakPolarHBondContact O-CG 3.41Å; H378-E382 PolarHBondContact O-N 3.29Å
379	L	70	Confident	67	Low	5 Å²	5	57.2 Å²	57.2	3%	0.026	30%	0.295	C	S	.	.	H	α-helix	trans	-69.5	-31.7	176.5	-93	166.8	0	0	0	112.7	F102 F135 P136 Y141 V375 V376 E382 M383	F102-L379 HydrophobicContact CD1-CD1 4.17Å; F102-L379 HydrophobicContact CE1-CB 4.27Å; F102-L379 HydrophobicContact CE1-CD1 3.34Å; F102-L379 HydrophobicContact CE1-CG 4.42Å; F102-L379 HydrophobicContact CZ-CB 4.43Å; F102-L379 HydrophobicContact CZ-CD1 4.12Å; F135-L379 HydrophobicContact CE1-CG 4.33Å; P136-L379 HydrophobicContact CG-CD1 4.27Å; Y141-L379 HydrophobicContact CE2-CD1 4.02Å; Y141-L379 HydrophobicContact CE2-CD2 4.19Å; V375-L379 HydrophobicContact CG1-CD1 4.46Å; V375-L379 PolarHBondContact O-N 3.17Å; V376-L379 CarbonylContact O-C 3.33Å; V376-L379 PolarHBondContact O-N 3.11Å; L379-E382 HydrophobicContact CD2-CB 4.48Å; L379-E382 WeakPolarHBondContact CD2-OE2 3.48Å; L379-E382 CarbonylContact O-C 3.52Å; L379-E382 PolarHBondContact O-N 2.71Å; L379-M383 VanDerWaalsContact O-CB 3.27Å; L379-M383 WeakPolarHBondContact O-CB 3.15Å; L379-M383 WeakPolarHBondContact O-CG 3.28Å; L379-M383 PolarHBondContact O-N 3.04Å
380	R	68.6	Low	64.6	Low	84 Å²	84	60 Å²	60	32%	0.317	32%	0.318	S	S	.	.	H	α-helix	trans	-67.9	-43.7	172.3	-168.6	178	-153.8	-83.3	-5.7	109.5	N147 E150 V376 G377 E382 M383 E384	N147-R380 PolarHBondContact OD1-NH2 3.18Å; E150-R380 IonicContact OE2-NE 3.98Å; E150-R380 PolarHBondContact OE2-NE 2.97Å; V376-R380 WeakPolarHBondContact O-CB 3.42Å; V376-R380 PolarHBondContact O-N 3.39Å; G377-R380 PolarHBondContact O-N 3.23Å; R380-E382 VanDerWaalsContact C-N 3.33Å; R380-E382 PolarHBondContact O-N 3.16Å; R380-M383 PolarHBondContact O-N 3.28Å; R380-E384 HydrophobicContact CG-CG 4.45Å; R380-E384 IonicContact CZ-OE1 3.56Å; R380-E384 IonicContact NE-OE1 3.7Å; R380-E384 IonicContact NH1-OE1 2.88Å; R380-E384 PolarHBondContact NH1-OE1 3.33Å; R380-E384 WeakPolarHBondContact O-CA 3.24Å; R380-E384 WeakPolarHBondContact O-CB 3.22Å; R380-E384 WeakPolarHBondContact O-CG 3.39Å; R380-E384 PolarHBondContact O-N 2.83Å
381	Q	66	Low	62.3	Low	117 Å²	117	55.6 Å²	55.6	55%	0.547	30%	0.298	S	S	.	.	H	α-helix	trans	-57.4	-45.6	168.1	-78.2	174.3	0.7	0	0	110.2	G377 H378 E384 S385	G377-Q381 WeakPolarHBondContact O-CB 3.49Å; G377-Q381 WeakPolarHBondContact O-CG 3.02Å; G377-Q381 PolarHBondContact O-N 2.98Å; H378-Q381 CarbonylContact O-C 3.59Å; H378-Q381 WeakPolarHBondContact O-CB 3.44Å; H378-Q381 PolarHBondContact O-N 3.37Å; Q381-E384 CarbonylContact O-C 3.58Å; Q381-E384 VanDerWaalsContact O-C 3.27Å; Q381-S385 VanDerWaalsContact C-OG 3.22Å; Q381-S385 WeakPolarHBondContact O-CA 3.26Å; Q381-S385 WeakPolarHBondContact O-CB 3.49Å; Q381-S385 PolarHBondContact O-N 3.42Å; Q381-S385 PolarHBondContact O-OG 3.48Å
382	E	60.7	Low	60.2	Low	58 Å²	58	52.7 Å²	52.7	27%	0.271	29%	0.286	S	S	.	.	H	α-helix	trans	-71.6	-24	177.7	-74.3	-176.8	172.1	0	0	114.7	H378 L379 R380 S385 S386	H378-E382 WeakPolarHBondContact O-CB 3.47Å; H378-E382 WeakPolarHBondContact O-CG 3.41Å; H378-E382 PolarHBondContact O-N 3.29Å; L379-E382 HydrophobicContact CD2-CB 4.48Å; L379-E382 WeakPolarHBondContact CD2-OE2 3.48Å; L379-E382 CarbonylContact O-C 3.52Å; L379-E382 PolarHBondContact O-N 2.71Å; R380-E382 VanDerWaalsContact C-N 3.33Å; R380-E382 PolarHBondContact O-N 3.16Å; E382-S385 WeakPolarHBondContact CA-OG 3.21Å; E382-S385 PolarHBondContact N-OG 2.8Å; E382-S385 CarbonylContact O-C 3.51Å; E382-S385 PolarHBondContact O-N 3.25Å; E382-S386 WeakPolarHBondContact O-CA 3.49Å; E382-S386 WeakPolarHBondContact O-CB 3.45Å; E382-S386 PolarHBondContact O-N 2.83Å; E382-S386 PolarHBondContact O-OG 2.85Å
383	M	60.4	Low	58.1	Low	48 Å²	48	55.5 Å²	55.5	24%	0.236	31%	0.31	C	S	.	.	H	α-helix	trans	-85.3	-41.9	174.5	-78.2	-179.6	74.5	0	0	110.3	Y141 V146 L379 R380 S385 S386 S387 T388	Y141-M383 HydrophobicContact CD2-SD 4.43Å; Y141-M383 HydrophobicContact CG-SD 4.46Å; Y141-M383 WeakPolarHBondContact O-CE 3.44Å; V146-M383 HydrophobicContact CG2-CE 4.46Å; V146-M383 HydrophobicContact CG2-SD 3.91Å; L379-M383 VanDerWaalsContact O-CB 3.27Å; L379-M383 WeakPolarHBondContact O-CB 3.15Å; L379-M383 WeakPolarHBondContact O-CG 3.28Å; L379-M383 PolarHBondContact O-N 3.04Å; R380-M383 PolarHBondContact O-N 3.28Å; M383-S385 PolarHBondContact O-N 3.44Å; M383-S386 PolarHBondContact O-N 2.81Å; M383-S387 WeakPolarHBondContact O-CB 3.38Å; M383-S387 PolarHBondContact O-N 2.85Å; M383-S387 PolarHBondContact O-OG 3.19Å; M383-S387 VanDerWaalsContact O-OG 3.07Å; M383-T388 PolarHBondContact O-OG1 3Å
384	E	54.4	Low	55.9	Low	100 Å²	100	54.5 Å²	54.5	47%	0.467	31%	0.305	S	S	.	.	H	α-helix	trans	-66.7	-9.8	162.5	-65.4	172.1	178.6	0	0	110.5	R380 Q381 T388	R380-E384 HydrophobicContact CG-CG 4.45Å; R380-E384 IonicContact CZ-OE1 3.56Å; R380-E384 IonicContact NE-OE1 3.7Å; R380-E384 IonicContact NH1-OE1 2.88Å; R380-E384 PolarHBondContact NH1-OE1 3.33Å; R380-E384 WeakPolarHBondContact O-CA 3.24Å; R380-E384 WeakPolarHBondContact O-CB 3.22Å; R380-E384 WeakPolarHBondContact O-CG 3.39Å; R380-E384 PolarHBondContact O-N 2.83Å; Q381-E384 CarbonylContact O-C 3.58Å; Q381-E384 VanDerWaalsContact O-C 3.27Å; E384-T388 WeakPolarHBondContact O-CB 2.83Å; E384-T388 WeakPolarHBondContact O-CG2 3.45Å; E384-T388 PolarHBondContact O-OG1 3.4Å
385	S	45.9	Very low	54	Low	18 Å²	18	50.9 Å²	50.9	13%	0.126	29%	0.29	C	S	.	.	H	α-helix	trans	-112.4	-5.7	170	67.8	0	0	0	0	113.9	Q381 E382 M383 T388 I389 Q392	Q381-S385 VanDerWaalsContact C-OG 3.22Å; Q381-S385 WeakPolarHBondContact O-CA 3.26Å; Q381-S385 WeakPolarHBondContact O-CB 3.49Å; Q381-S385 PolarHBondContact O-N 3.42Å; Q381-S385 PolarHBondContact O-OG 3.48Å; E382-S385 WeakPolarHBondContact CA-OG 3.21Å; E382-S385 PolarHBondContact N-OG 2.8Å; E382-S385 CarbonylContact O-C 3.51Å; E382-S385 PolarHBondContact O-N 3.25Å; M383-S385 PolarHBondContact O-N 3.44Å; S385-T388 WeakPolarHBondContact CA-OG1 3.4Å; S385-T388 PolarHBondContact N-OG1 3.19Å; S385-T388 CarbonylContact O-C 3.51Å; S385-T388 VanDerWaalsContact O-CA 3.28Å; S385-T388 WeakPolarHBondContact O-CA 3.41Å; S385-T388 WeakPolarHBondContact O-CB 3.48Å; S385-T388 PolarHBondContact O-OG1 2.8Å; S385-T388 VanDerWaalsContact O-OG1 3.08Å; S385-I389 PolarHBondContact O-N 2.58Å; S385-Q392 WeakPolarHBondContact O-CG 3.27Å; S385-Q392 PolarHBondContact O-NE2 3.04Å; S385-Q392 PolarHBondContact O-OE1 3.45Å; S385-Q392 PolarHBondContact OG-NE2 3.49Å
386	S	46	Very low	52.2	Low	57 Å²	57	55.9 Å²	55.9	40%	0.399	31%	0.311	S	S	.	.	H	α-helix	trans	-104.3	-21.9	168.3	-63.7	0	0	0	0	117.1	E382 M383 T388 I389	E382-S386 WeakPolarHBondContact O-CA 3.49Å; E382-S386 WeakPolarHBondContact O-CB 3.45Å; E382-S386 PolarHBondContact O-N 2.83Å; E382-S386 PolarHBondContact O-OG 2.85Å; M383-S386 PolarHBondContact O-N 2.81Å; S386-T388 WeakPolarHBondContact CA-OG1 3.26Å; S386-T388 PolarHBondContact N-OG1 2.99Å; S386-T388 PolarHBondContact O-N 3.31Å; S386-I389 PolarHBondContact O-N 2.86Å; S386-I389 VanDerWaalsContact O-N 3.16Å
387	S	41.6	Very low	50.3	Low	94 Å²	94	60.6 Å²	60.6	66%	0.657	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	16.8	153.6	66.5	0	0	0	0	114	M383	M383-S387 WeakPolarHBondContact O-CB 3.38Å; M383-S387 PolarHBondContact O-N 2.85Å; M383-S387 PolarHBondContact O-OG 3.19Å; M383-S387 VanDerWaalsContact O-OG 3.07Å
388	T	37.7	Very low	48.7	Very low	3 Å²	3	60.9 Å²	60.9	2%	0.018	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn		-177.5	3.2	-125.8	27.9	0	0	0	0	107.1	M383 E384 S385 S386 A390 Q391 Q392	M383-T388 PolarHBondContact O-OG1 3Å; E384-T388 WeakPolarHBondContact O-CB 2.83Å; E384-T388 WeakPolarHBondContact O-CG2 3.45Å; E384-T388 PolarHBondContact O-OG1 3.4Å; S385-T388 WeakPolarHBondContact CA-OG1 3.4Å; S385-T388 PolarHBondContact N-OG1 3.19Å; S385-T388 CarbonylContact O-C 3.51Å; S385-T388 VanDerWaalsContact O-CA 3.28Å; S385-T388 WeakPolarHBondContact O-CA 3.41Å; S385-T388 WeakPolarHBondContact O-CB 3.48Å; S385-T388 PolarHBondContact O-OG1 2.8Å; S385-T388 VanDerWaalsContact O-OG1 3.08Å; S386-T388 WeakPolarHBondContact CA-OG1 3.26Å; S386-T388 PolarHBondContact N-OG1 2.99Å; S386-T388 PolarHBondContact O-N 3.31Å; T388-A390 CarbonylContact O-C 3.33Å; T388-A390 VanDerWaalsContact O-C 3.27Å; T388-A390 PolarHBondContact O-N 3.26Å; T388-Q391 VanDerWaalsContact CA-CD 3.49Å; T388-Q391 VanDerWaalsContact CB-CD 3.49Å; T388-Q391 HydrophobicContact CG2-CB 3.64Å; T388-Q391 HydrophobicContact CG2-CG 3.23Å; T388-Q391 CarbonylContact O-C 3.59Å; T388-Q391 WeakPolarHBondContact O-CA 3.4Å; T388-Q391 WeakPolarHBondContact O-CB 3.46Å; T388-Q391 PolarHBondContact O-N 2.82Å; T388-Q392 PolarHBondContact O-N 3.26Å
389	I	36.2	Very low	47.1	Very low	114 Å²	114	64.1 Å²	64.1	59%	0.585	35%	0.352	S	S	*	.	H	α-helix	trans	-66.5	-13.6	157.8	-76.6	154.7	0	0	0	110.6	S385 S386	S385-I389 PolarHBondContact O-N 2.58Å; S386-I389 PolarHBondContact O-N 2.86Å; S386-I389 VanDerWaalsContact O-N 3.16Å
390	A	38.4	Very low	45.8	Very low	60 Å²	60	70.3 Å²	70.3	50%	0.496	39%	0.39	S	S	.	.	H	α-helix	trans	-56.7	-69.2	147.9	0	0	0	0	0	109.1	T388 Q392 S419	T388-A390 CarbonylContact O-C 3.33Å; T388-A390 VanDerWaalsContact O-C 3.27Å; T388-A390 PolarHBondContact O-N 3.26Å; A390-Q392 PolarHBondContact O-N 2.87Å; A390-S419 WeakPolarHBondContact O-CB 3.47Å; A390-S419 PolarHBondContact O-OG 3.22Å
391	Q	40.6	Very low	44.3	Very low	11 Å²	11	70.2 Å²	70.2	5%	0.051	40%	0.402	C	S	.	.	H	α-helix	trans	-50.5	-26.7	171.9	-72.2	78.6	-32.9	0	0	123.8	T388 T394 D395 T416 D417 T418 S419	T388-Q391 VanDerWaalsContact CA-CD 3.49Å; T388-Q391 VanDerWaalsContact CB-CD 3.49Å; T388-Q391 HydrophobicContact CG2-CB 3.64Å; T388-Q391 HydrophobicContact CG2-CG 3.23Å; T388-Q391 CarbonylContact O-C 3.59Å; T388-Q391 WeakPolarHBondContact O-CA 3.4Å; T388-Q391 WeakPolarHBondContact O-CB 3.46Å; T388-Q391 PolarHBondContact O-N 2.82Å; Q391-T394 CarbonylContact O-C 3.49Å; Q391-T394 WeakPolarHBondContact O-CA 3.27Å; Q391-T394 WeakPolarHBondContact O-CB 3.2Å; Q391-T394 PolarHBondContact O-N 2.97Å; Q391-T394 VanDerWaalsContact O-N 3.11Å; Q391-T394 PolarHBondContact O-OG1 3.33Å; Q391-D395 PolarHBondContact O-N 2.82Å; Q391-D395 VanDerWaalsContact O-N 3.12Å; Q391-T416 VanDerWaalsContact CG-O 3.23Å; Q391-T416 WeakPolarHBondContact CG-O 3.33Å; Q391-T416 VanDerWaalsContact NE2-C 3.28Å; Q391-T416 PolarHBondContact NE2-O 3.42Å; Q391-D417 HydrophobicContact CG-CB 3.76Å; Q391-D417 WeakPolarHBondContact CG-OD1 3.42Å; Q391-D417 PolarHBondContact NE2-OD1 3.5Å; Q391-D417 PolarHBondContact NE2-OD2 2.5Å; Q391-D417 VanDerWaalsContact NE2-OD2 3.1Å; Q391-D417 PolarHBondContact OE1-OD1 2.99Å; Q391-D417 PolarHBondContact OE1-OD2 2.98Å; Q391-T418 VanDerWaalsContact CG-N 3.35Å; Q391-T418 PolarHBondContact O-OG1 2.81Å; Q391-S419 VanDerWaalsContact N-CB 3.3Å; Q391-S419 PolarHBondContact N-OG 2.95Å
392	Q	41.1	Very low	42.9	Very low	37 Å²	37	69.5 Å²	69.5	17%	0.173	40%	0.402	C	S	.	.	H	α-helix	trans	-84.9	-25.7	-163.8	-100.8	173.6	-12.9	0	0	110.8	S385 T388 A390 T394 D395 E396	S385-Q392 WeakPolarHBondContact O-CG 3.27Å; S385-Q392 PolarHBondContact O-NE2 3.04Å; S385-Q392 PolarHBondContact O-OE1 3.45Å; S385-Q392 PolarHBondContact OG-NE2 3.49Å; T388-Q392 PolarHBondContact O-N 3.26Å; A390-Q392 PolarHBondContact O-N 2.87Å; Q392-T394 PolarHBondContact O-N 3.25Å; Q392-D395 PolarHBondContact O-N 2.89Å; Q392-D395 VanDerWaalsContact O-N 3.17Å; Q392-E396 WeakPolarHBondContact O-CG 3.47Å; Q392-E396 PolarHBondContact O-N 2.83Å
393	A	39.3	Very low	41.7	Very low	72 Å²	72	71.4 Å²	71.4	60%	0.595	43%	0.428	S	S	*	.	H	α-helix	trans	-54.5	-10.4	164.4	0	0	0	0	0	112.7
394	T	40.6	Very low	40.4	Very low	7 Å²	7	76.8 Å²	76.8	4%	0.043	45%	0.454	C	S	.	.	H	α-helix	trans	-128.2	-9.4	-174.1	34.5	0	0	0	0	114.3	Q391 Q392 N398 T418 S419 H422	Q391-T394 CarbonylContact O-C 3.49Å; Q391-T394 WeakPolarHBondContact O-CA 3.27Å; Q391-T394 WeakPolarHBondContact O-CB 3.2Å; Q391-T394 PolarHBondContact O-N 2.97Å; Q391-T394 VanDerWaalsContact O-N 3.11Å; Q391-T394 PolarHBondContact O-OG1 3.33Å; Q392-T394 PolarHBondContact O-N 3.25Å; T394-N398 PolarHBondContact O-ND2 2.97Å; T394-N398 VanDerWaalsContact O-ND2 3.13Å; T394-T418 WeakPolarHBondContact CB-O 3.38Å; T394-T418 VanDerWaalsContact CG2-O 3.29Å; T394-T418 WeakPolarHBondContact CG2-O 3.35Å; T394-T418 WeakPolarHBondContact OG1-CB 3.07Å; T394-T418 PolarHBondContact OG1-O 2.89Å; T394-S419 WeakPolarHBondContact OG1-CA 3.46Å; T394-S419 WeakPolarHBondContact OG1-CB 3.26Å; T394-S419 PolarHBondContact OG1-N 3.02Å; T394-H422 WeakPolarHBondContact CB-ND1 3.29Å; T394-H422 HydrophobicContact CG2-CB 3.42Å; T394-H422 VanDerWaalsContact CG2-CB 3.42Å; T394-H422 WeakPolarHBondContact CG2-ND1 3.14Å
395	D	41.5	Very low	39.3	Very low	46 Å²	46	75.1 Å²	75.1	25%	0.246	45%	0.453	C	S	.	.	H	α-helix	trans	-91	-26.6	165.3	-74.9	-29	0	0	0	112.5	Q391 Q392 V397 N398 M399 T418	Q391-D395 PolarHBondContact O-N 2.82Å; Q391-D395 VanDerWaalsContact O-N 3.12Å; Q392-D395 PolarHBondContact O-N 2.89Å; Q392-D395 VanDerWaalsContact O-N 3.17Å; D395-V397 VanDerWaalsContact C-N 3.26Å; D395-V397 PolarHBondContact O-N 3.18Å; D395-N398 CarbonylContact O-C 3.47Å; D395-N398 WeakPolarHBondContact O-CA 3.48Å; D395-N398 WeakPolarHBondContact O-CB 3.46Å; D395-N398 PolarHBondContact O-N 3.1Å; D395-M399 PolarHBondContact O-N 3.16Å; D395-M399 VanDerWaalsContact O-N 3.16Å; D395-T418 VanDerWaalsContact OD1-CB 3.22Å; D395-T418 WeakPolarHBondContact OD1-CB 3.5Å; D395-T418 WeakPolarHBondContact OD1-CG2 3.29Å; D395-T418 PolarHBondContact OD1-OG1 2.66Å; D395-T418 PolarHBondContact OD2-OG1 3.3Å
396	E	39.4	Very low	38.4	Very low	138 Å²	138	81.2 Å²	81.2	65%	0.645	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-23.5	177	-74.7	-172.6	161.5	0	0	113.4	Q392 N398	Q392-E396 WeakPolarHBondContact O-CG 3.47Å; Q392-E396 PolarHBondContact O-N 2.83Å; E396-N398 VanDerWaalsContact C-N 3.27Å
397	V	40.6	Very low	37.5	Very low	100 Å²	100	81.4 Å²	81.4	61%	0.606	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-21.3	168.6	-178.8	0	0	0	0	111.4	D395	D395-V397 VanDerWaalsContact C-N 3.26Å; D395-V397 PolarHBondContact O-N 3.18Å
398	N	42	Very low	36.8	Very low	32 Å²	32	82.4 Å²	82.4	17%	0.171	50%	0.495	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-16.4	-179.6	-67.3	-31.6	0	0	0	113.8	T394 D395 E396 V400 S401 V566	T394-N398 PolarHBondContact O-ND2 2.97Å; T394-N398 VanDerWaalsContact O-ND2 3.13Å; D395-N398 CarbonylContact O-C 3.47Å; D395-N398 WeakPolarHBondContact O-CA 3.48Å; D395-N398 WeakPolarHBondContact O-CB 3.46Å; D395-N398 PolarHBondContact O-N 3.1Å; E396-N398 VanDerWaalsContact C-N 3.27Å; N398-V400 VanDerWaalsContact C-N 3.33Å; N398-V400 PolarHBondContact O-N 3.36Å; N398-S401 PolarHBondContact O-N 3.25Å; N398-S401 VanDerWaalsContact O-N 3.11Å; N398-V566 WeakPolarHBondContact OD1-CG2 3.35Å
399	M	39.4	Very low	36.4	Very low	145 Å²	145	84.4 Å²	84.4	71%	0.714	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-19.9	-178.3	-77.4	-165.3	76.6	0	0	115	D395 S401	D395-M399 PolarHBondContact O-N 3.16Å; D395-M399 VanDerWaalsContact O-N 3.16Å; M399-S401 PolarHBondContact O-N 2.76Å
400	V	40.8	Very low	36.4	Very low	135 Å²	135	84.3 Å²	84.3	82%	0.818	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-15.2	172.3	-174.6	0	0	0	0	111.7	N398	N398-V400 VanDerWaalsContact C-N 3.33Å; N398-V400 PolarHBondContact O-N 3.36Å
401	S	37.8	Very low	36.3	Very low	83 Å²	83	90 Å²	90	58%	0.58	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-13.3	-174.4	-58.7	0	0	0	0	114.5	N398 M399	N398-S401 PolarHBondContact O-N 3.25Å; N398-S401 VanDerWaalsContact O-N 3.11Å; M399-S401 PolarHBondContact O-N 2.76Å
402	N	36.4	Very low	36.1	Very low	102 Å²	102	90.1 Å²	90.1	55%	0.545	51%	0.511	S	S	.	.			trans	-93.1	4.5	-170.9	-81.4	-13.5	0	0	0	116.3	M404	N402-M404 PolarHBondContact O-N 3.23Å; N402-M404 VanDerWaalsContact O-N 3.11Å
403	A	36.7	Very low	36.1	Very low	98 Å²	98	92.5 Å²	92.5	81%	0.81	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	4.6	175.6	0	0	0	0	0	114.5
404	M	32	Very low	36.4	Very low	161 Å²	161	93.4 Å²	93.4	79%	0.793	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.1	6.5	-174.4	-70.8	-166.4	172.4	0	0	115.2	N402	N402-M404 PolarHBondContact O-N 3.23Å; N402-M404 VanDerWaalsContact O-N 3.11Å
405	C	31.4	Very low	36.5	Very low	65 Å²	65	94.3 Å²	94.3	44%	0.439	53%	0.527	S	S	.	.			trans	-119.2	81.2	-163.9	-65.6	0	0	0	0	114.2
406	T	27	Very low	36.8	Very low	145 Å²	145	98.3 Å²	98.3	89%	0.89	55%	0.554	S	S	*	*			trans	-111.1	82.5	161.5	50.7	0	0	0	0	110.3
407	S	26.3	Very low	37.3	Very low	61 Å²	61	93 Å²	93	43%	0.427	53%	0.53	S	S	.	.	S	Bend	trans	-168.7	142.6	161.4	-150.7	0	0	0	0	110.2	V409 I692	S407-V409 PolarHBondContact O-N 2.76Å; S407-I692 WeakPolarHBondContact OG-CD1 3.43Å
408	P	28.1	Very low	37.9	Very low	116 Å²	116	88.5 Å²	88.5	75%	0.753	50%	0.502	S	S	*	.			trans	-80.3	87.3	-168.2	32.7	-32.3	0	0	0	111.4
409	V	29.9	Very low	38.5	Very low	44 Å²	44	88 Å²	88	27%	0.267	50%	0.502	S	S	.	.			trans	-142.3	79.4	176.8	-172.5	0	0	0	0	109.1	S407	S407-V409 PolarHBondContact O-N 2.76Å
410	Y	35.7	Very low	39.3	Very low	112 Å²	112	84.4 Å²	84.4	44%	0.439	49%	0.485	S	S	.	.			trans	-150.5	88.7	168	-63.9	-71.2	0	0	0	109.2	E729	Y410-E729 VanDerWaalsContact CA-OE2 3.26Å; Y410-E729 WeakPolarHBondContact CA-OE2 3.21Å
411	Y	35.2	Very low	40.3	Very low	180 Å²	180	78.1 Å²	78.1	71%	0.706	45%	0.447	S	S	*	.			trans	-136.9	26.5	177.3	-70.7	-76.4	0	0	0	114.8	E729	Y411-E729 CarbonylContact C-O 3.54Å; Y411-E729 PolarHBondContact N-OE2 2.91Å
412	L	37.3	Very low	41.5	Very low	14 Å²	14	77.2 Å²	77.2	7%	0.073	43%	0.433	C	S	.	.	S	Bend	trans	-78.3	144.3	141.5	-98	158.6	0	0	0	106.5	Q414 Y542 Y687 E729	L412-Q414 PolarHBondContact O-N 2.67Å; L412-Y542 HydrophobicContact CD2-CE1 3.69Å; L412-Y542 WeakPolarHBondContact CD2-OH 3.39Å; L412-Y687 HydrophobicContact CD1-CE2 4.07Å; L412-E729 HydrophobicContact CB-CB 4.41Å; L412-E729 HydrophobicContact CB-CG 4.33Å; L412-E729 HydrophobicContact CD1-CB 4.43Å; L412-E729 HydrophobicContact CD1-CG 4.07Å; L412-E729 HydrophobicContact CG-CB 4.3Å; L412-E729 HydrophobicContact CG-CG 4.36Å; L412-E729 WeakPolarHBondContact CG-O 3.44Å; L412-E729 PolarHBondContact N-O 3.16Å
413	P	41.1	Very low	43.2	Very low	87 Å²	87	73.8 Å²	73.8	57%	0.565	42%	0.422	S	S	*	.			trans	-61.5	96.4	166	0	14.3	0	0	0	105.5
414	Q	44.8	Very low	45.3	Very low	91 Å²	91	77.1 Å²	77.1	43%	0.425	42%	0.418	S	S	.	.			trans	-53.3	133.5	153.8	-97.9	-178.7	-3	0	0	103.8	L412 T416	L412-Q414 PolarHBondContact O-N 2.67Å; Q414-T416 PolarHBondContact O-N 3.32Å
415	P	42.9	Very low	47.8	Very low	25 Å²	25	70.1 Å²	70.1	16%	0.162	38%	0.384	C	S	.	.			trans	-54.5	123.4	171.5	26.7	-29.6	0	0	0	103.8	D417 L421 Y570	P415-D417 WeakPolarHBondContact CB-O 3.48Å; P415-D417 WeakPolarHBondContact CG-O 3.45Å; P415-D417 CarbonylContact O-C 3.6Å; P415-D417 PolarHBondContact O-N 3.32Å; P415-L421 HydrophobicContact CG-CD1 3.37Å; P415-L421 HydrophobicContact CG-CG 3.93Å; P415-Y570 HydrophobicContact CB-CD2 4.36Å; P415-Y570 HydrophobicContact CB-CE2 4.13Å; P415-Y570 HydrophobicContact CG-CD2 3.81Å; P415-Y570 HydrophobicContact CG-CE2 4.06Å
416	T	47.6	Very low	50.2	Low	131 Å²	131	72.5 Å²	72.5	80%	0.804	39%	0.388	S	S	*	.	S	Bend	trans	-47.9	-18	161.3	37	0	0	0	0	109.4	Q391 Q414	Q391-T416 VanDerWaalsContact CG-O 3.23Å; Q391-T416 WeakPolarHBondContact CG-O 3.33Å; Q391-T416 VanDerWaalsContact NE2-C 3.28Å; Q391-T416 PolarHBondContact NE2-O 3.42Å; Q414-T416 PolarHBondContact O-N 3.32Å
417	D	50.2	Low	52.7	Low	26 Å²	26	66 Å²	66	14%	0.139	35%	0.348	C	S	.	.			trans	-102.5	83.3	168.8	-144.6	-33.5	0	0	0	120.9	Q391 P415 S419 L420 L421	Q391-D417 HydrophobicContact CG-CB 3.76Å; Q391-D417 WeakPolarHBondContact CG-OD1 3.42Å; Q391-D417 PolarHBondContact NE2-OD1 3.5Å; Q391-D417 PolarHBondContact NE2-OD2 2.5Å; Q391-D417 VanDerWaalsContact NE2-OD2 3.1Å; Q391-D417 PolarHBondContact OE1-OD1 2.99Å; Q391-D417 PolarHBondContact OE1-OD2 2.98Å; P415-D417 WeakPolarHBondContact CB-O 3.48Å; P415-D417 WeakPolarHBondContact CG-O 3.45Å; P415-D417 CarbonylContact O-C 3.6Å; P415-D417 PolarHBondContact O-N 3.32Å; D417-S419 PolarHBondContact O-N 3.49Å; D417-S419 VanDerWaalsContact O-N 3.16Å; D417-S419 WeakPolarHBondContact OD1-CA 3.39Å; D417-S419 VanDerWaalsContact OD1-CB 3.3Å; D417-S419 WeakPolarHBondContact OD1-CB 3.39Å; D417-S419 PolarHBondContact OD1-N 2.73Å; D417-S419 PolarHBondContact OD1-OG 3.46Å; D417-L420 HydrophobicContact CB-CB 3.85Å; D417-L420 HydrophobicContact CB-CD1 3.42Å; D417-L420 VanDerWaalsContact CB-CD1 3.42Å; D417-L420 HydrophobicContact CB-CG 3.48Å; D417-L420 VanDerWaalsContact CB-CG 3.48Å; D417-L420 WeakPolarHBondContact O-CB 3.43Å; D417-L420 PolarHBondContact O-N 3.12Å; D417-L420 VanDerWaalsContact O-N 3.13Å; D417-L420 PolarHBondContact OD1-N 3.29Å; D417-L420 WeakPolarHBondContact OD2-CG 3.35Å; D417-L421 PolarHBondContact O-N 3.05Å
418	T	52.9	Low	54.7	Low	5 Å²	5	67.6 Å²	67.6	3%	0.031	35%	0.352	C	S	.	.	H	α-helix	trans	-59.3	-19.4	167.8	22.1	0	0	0	0	113.7	Q391 T394 D395 L421 H422	Q391-T418 VanDerWaalsContact CG-N 3.35Å; Q391-T418 PolarHBondContact O-OG1 2.81Å; T394-T418 WeakPolarHBondContact CB-O 3.38Å; T394-T418 VanDerWaalsContact CG2-O 3.29Å; T394-T418 WeakPolarHBondContact CG2-O 3.35Å; T394-T418 WeakPolarHBondContact OG1-CB 3.07Å; T394-T418 PolarHBondContact OG1-O 2.89Å; D395-T418 VanDerWaalsContact OD1-CB 3.22Å; D395-T418 WeakPolarHBondContact OD1-CB 3.5Å; D395-T418 WeakPolarHBondContact OD1-CG2 3.29Å; D395-T418 PolarHBondContact OD1-OG1 2.66Å; D395-T418 PolarHBondContact OD2-OG1 3.3Å; T418-L421 HydrophobicContact CG2-CD1 3.91Å; T418-L421 WeakPolarHBondContact O-CA 3.31Å; T418-L421 WeakPolarHBondContact O-CB 3.41Å; T418-L421 PolarHBondContact O-N 3.44Å; T418-H422 PolarHBondContact O-N 2.97Å; T418-H422 PolarHBondContact O-ND1 3.47Å
419	S	55.5	Low	56.6	Low	23 Å²	23	67.2 Å²	67.2	16%	0.161	34%	0.34	C	S	.	.	H	α-helix	trans	-83.4	-24.5	177.2	74.6	0	0	0	0	112.6	A390 Q391 T394 D417 L421 H422 G423	A390-S419 WeakPolarHBondContact O-CB 3.47Å; A390-S419 PolarHBondContact O-OG 3.22Å; Q391-S419 VanDerWaalsContact N-CB 3.3Å; Q391-S419 PolarHBondContact N-OG 2.95Å; T394-S419 WeakPolarHBondContact OG1-CA 3.46Å; T394-S419 WeakPolarHBondContact OG1-CB 3.26Å; T394-S419 PolarHBondContact OG1-N 3.02Å; D417-S419 PolarHBondContact O-N 3.49Å; D417-S419 VanDerWaalsContact O-N 3.16Å; D417-S419 WeakPolarHBondContact OD1-CA 3.39Å; D417-S419 VanDerWaalsContact OD1-CB 3.3Å; D417-S419 WeakPolarHBondContact OD1-CB 3.39Å; D417-S419 PolarHBondContact OD1-N 2.73Å; D417-S419 PolarHBondContact OD1-OG 3.46Å; S419-L421 PolarHBondContact O-N 3.11Å; S419-H422 PolarHBondContact O-N 3.21Å; S419-G423 WeakPolarHBondContact O-CA 3.23Å; S419-G423 PolarHBondContact O-N 2.94Å
420	L	56.7	Low	58.4	Low	68 Å²	68	66.5 Å²	66.5	36%	0.356	33%	0.334	S	S	.	.	H	α-helix	trans	-63.4	-24.4	160	-63.4	176.4	0	0	0	111.1	D417 R573	D417-L420 HydrophobicContact CB-CB 3.85Å; D417-L420 HydrophobicContact CB-CD1 3.42Å; D417-L420 VanDerWaalsContact CB-CD1 3.42Å; D417-L420 HydrophobicContact CB-CG 3.48Å; D417-L420 VanDerWaalsContact CB-CG 3.48Å; D417-L420 WeakPolarHBondContact O-CB 3.43Å; D417-L420 PolarHBondContact O-N 3.12Å; D417-L420 VanDerWaalsContact O-N 3.13Å; D417-L420 PolarHBondContact OD1-N 3.29Å; D417-L420 WeakPolarHBondContact OD2-CG 3.35Å; L420-R573 VanDerWaalsContact O-CD 3.25Å; L420-R573 WeakPolarHBondContact O-CD 3.45Å; L420-R573 PolarHBondContact O-NE 3.07Å; L420-R573 PolarHBondContact O-NH1 3.35Å
421	L	61.8	Low	59.6	Low	3 Å²	3	67.1 Å²	67.1	2%	0.016	34%	0.341	C	S	.	.	H	α-helix	trans	-64.7	-48.2	170.5	-88.8	142.2	0	0	0	111	P415 D417 T418 S419 V566 H569 Y570 W614	P415-L421 HydrophobicContact CG-CD1 3.37Å; P415-L421 HydrophobicContact CG-CG 3.93Å; D417-L421 PolarHBondContact O-N 3.05Å; T418-L421 HydrophobicContact CG2-CD1 3.91Å; T418-L421 WeakPolarHBondContact O-CA 3.31Å; T418-L421 WeakPolarHBondContact O-CB 3.41Å; T418-L421 PolarHBondContact O-N 3.44Å; S419-L421 PolarHBondContact O-N 3.11Å; L421-V566 HydrophobicContact CD1-CG1 3.95Å; L421-H569 HydrophobicContact CD2-CB 3.37Å; L421-Y570 VanDerWaalsContact CD2-N 3.28Å; L421-W614 WeakPolarHBondContact O-CZ2 3.27Å
422	H	63.1	Low	60.6	Low	65 Å²	65	66.1 Å²	66.1	30%	0.301	34%	0.336	S	S	.	.	H	α-helix	trans	-94.2	-11.7	-172.2	-56.5	68.4	0	0	0	114.9	T394 T418 S419 K618	T394-H422 WeakPolarHBondContact CB-ND1 3.29Å; T394-H422 HydrophobicContact CG2-CB 3.42Å; T394-H422 VanDerWaalsContact CG2-CB 3.42Å; T394-H422 WeakPolarHBondContact CG2-ND1 3.14Å; T418-H422 PolarHBondContact O-N 2.97Å; T418-H422 PolarHBondContact O-ND1 3.47Å; S419-H422 PolarHBondContact O-N 3.21Å; H422-K618 PolarHBondContact O-NZ 3.4Å
423	G	71.2	Confident	61.4	Low	29 Å²	29	70.7 Å²	70.7	30%	0.299	36%	0.357	S	S	.	.	S	Bend	trans	-68.2	177.1	179.3	0	0	0	0	0	114.5	S419 R573 W614	S419-G423 WeakPolarHBondContact O-CA 3.23Å; S419-G423 PolarHBondContact O-N 2.94Å; G423-R573 PolarHBondContact O-NH1 3.07Å; G423-W614 PolarHBondContact O-NE1 3Å
424	K	80.9	Confident	61.7	Low	169 Å²	169	72.2 Å²	72.2	74%	0.735	37%	0.369	S	S	*	.			trans	-62.8	147	174.3	-69.3	-175.4	178.1	179.8	0	111.1	R573 Q611	K424-R573 PolarHBondContact O-NH2 3.08Å; K424-Q611 VanDerWaalsContact CA-OE1 3.3Å
425	L	84.3	Confident	61.7	Low	14 Å²	14	73 Å²	73	7%	0.073	38%	0.383	C	S	.	.			trans	-63.7	136.1	176.2	-62.2	176.2	0	0	0	110.6	L427 R573 L576 E577 L610 W614	L425-L427 HydrophobicContact CB-CD1 3.93Å; L425-L427 HydrophobicContact CB-CD2 4.28Å; L425-L427 HydrophobicContact CB-CG 3.79Å; L425-L427 HydrophobicContact CD1-CD1 4.26Å; L425-L427 PolarHBondContact O-N 3.3Å; L425-R573 HydrophobicContact CD2-CG 3.81Å; L425-L576 HydrophobicContact CD1-CB 4.22Å; L425-L576 HydrophobicContact CD1-CD1 4.43Å; L425-L576 HydrophobicContact CD2-CB 4.46Å; L425-E577 WeakPolarHBondContact CA-OE1 3.47Å; L425-E577 HydrophobicContact CB-CG 4.15Å; L425-E577 HydrophobicContact CD2-CG 3.99Å; L425-L610 HydrophobicContact CD1-CB 3.98Å; L425-W614 HydrophobicContact CD1-CB 3.88Å; L425-W614 HydrophobicContact CD1-CG 4.34Å; L425-W614 HydrophobicContact CD2-CB 4.22Å; L425-W614 HydrophobicContact CD2-CD2 4.15Å; L425-W614 HydrophobicContact CD2-CG 3.79Å; L425-W614 HydrophobicContact CG-CB 4.08Å; L425-W614 HydrophobicContact CG-CG 4.03Å
426	Q	82.1	Confident	61.6	Low	114 Å²	114	82.5 Å²	82.5	53%	0.533	42%	0.415	S	S	.	.			trans	-82.4	88.6	175.4	-66.7	-173.9	-3.7	0	0	110.2	E577	Q426-E577 PolarHBondContact N-OE1 3.05Å
427	L	80	Confident	61.1	Low	9 Å²	9	86.3 Å²	86.3	5%	0.047	42%	0.424	C	S	.	.			trans	-107	38.2	-173.6	-61.5	173.7	0	0	0	112.9	L425 H429 L430 H431 V607 L610	L425-L427 HydrophobicContact CB-CD1 3.93Å; L425-L427 HydrophobicContact CB-CD2 4.28Å; L425-L427 HydrophobicContact CB-CG 3.79Å; L425-L427 HydrophobicContact CD1-CD1 4.26Å; L425-L427 PolarHBondContact O-N 3.3Å; L427-H429 PolarHBondContact O-N 3.31Å; L427-H429 VanDerWaalsContact O-N 3.13Å; L427-L430 HydrophobicContact CB-CD1 4.31Å; L427-L430 HydrophobicContact CD1-CD1 4.49Å; L427-L430 HydrophobicContact CD2-CD1 4.34Å; L427-L430 PolarHBondContact O-N 2.95Å; L427-L430 VanDerWaalsContact O-N 3.1Å; L427-H431 PolarHBondContact O-ND1 2.66Å; L427-V607 HydrophobicContact CB-CG2 4.49Å; L427-V607 HydrophobicContact CD1-CB 4.43Å; L427-V607 HydrophobicContact CD1-CG1 4.1Å; L427-L610 HydrophobicContact CD1-CB 3.89Å; L427-L610 HydrophobicContact CD1-CD1 3.85Å; L427-L610 HydrophobicContact CD2-CD1 3.92Å
428	D	67.5	Low	60.7	Low	94 Å²	94	93.8 Å²	93.8	50%	0.503	45%	0.45	S	S	.	.	H	α-helix	trans	-58.1	-30.3	-174.2	-71.7	-6.1	0	0	0	113.8	H431 R432	D428-H431 PolarHBondContact O-N 3.16Å; D428-R432 PolarHBondContact O-N 2.66Å; D428-R432 VanDerWaalsContact O-N 3.11Å
429	H	68.6	Low	60.7	Low	108 Å²	108	102.6 Å²	102.6	50%	0.5	49%	0.488	S	S	.	.	H	α-helix	trans	-69.2	-33.8	-179.9	-65.7	-59.7	0	0	0	112.7	L427 R432 Q433	L427-H429 PolarHBondContact O-N 3.31Å; L427-H429 VanDerWaalsContact O-N 3.13Å; H429-R432 PolarHBondContact O-N 3Å; H429-Q433 PolarHBondContact O-N 2.81Å
430	L	67.1	Low	60.7	Low	30 Å²	30	105.6 Å²	105.6	16%	0.157	51%	0.507	C	S	.	.	H	α-helix	trans	-70.6	-35.3	175.6	-75.9	167.5	0	0	0	111.3	L427 Q433 V607 L610	L427-L430 HydrophobicContact CB-CD1 4.31Å; L427-L430 HydrophobicContact CD1-CD1 4.49Å; L427-L430 HydrophobicContact CD2-CD1 4.34Å; L427-L430 PolarHBondContact O-N 2.95Å; L427-L430 VanDerWaalsContact O-N 3.1Å; L430-Q433 PolarHBondContact O-N 3.4Å; L430-V607 HydrophobicContact CB-CG2 3.84Å; L430-V607 HydrophobicContact CD1-CG2 4.15Å; L430-L610 HydrophobicContact CD1-CD1 3.83Å
431	H	60.4	Low	61.1	Low	125 Å²	125	109.2 Å²	109.2	58%	0.579	52%	0.521	S	S	*	.	H	α-helix	trans	-68.9	-34.7	174.1	-75.5	90.1	0	0	0	112.8	L427 D428 Q433	L427-H431 PolarHBondContact O-ND1 2.66Å; D428-H431 PolarHBondContact O-N 3.16Å; H431-Q433 VanDerWaalsContact C-N 3.32Å; H431-Q433 PolarHBondContact O-N 3.47Å
432	R	57.4	Low	61.5	Low	158 Å²	158	117 Å²	117	60%	0.596	56%	0.557	S	S	*	*	H	α-helix	trans	-72.7	-20.5	178.8	-105.6	-178	-82.4	-164.2	-6.6	114.1	D428 H429 C434 C435	D428-R432 PolarHBondContact O-N 2.66Å; D428-R432 VanDerWaalsContact O-N 3.11Å; H429-R432 PolarHBondContact O-N 3Å; R432-C434 PolarHBondContact O-N 3.04Å; R432-C435 PolarHBondContact O-N 2.75Å; R432-C435 VanDerWaalsContact O-N 3.12Å
433	Q	53.9	Low	62	Low	111 Å²	111	115.1 Å²	115.1	52%	0.519	55%	0.55	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.2	-19	179.5	-91	-179.8	-15.2	0	0	113.8	H429 L430 H431 C435	H429-Q433 PolarHBondContact O-N 2.81Å; L430-Q433 PolarHBondContact O-N 3.4Å; H431-Q433 VanDerWaalsContact C-N 3.32Å; H431-Q433 PolarHBondContact O-N 3.47Å; Q433-C435 VanDerWaalsContact C-N 3.26Å; Q433-C435 PolarHBondContact O-N 3.22Å
434	C	47.3	Very low	62.7	Low	119 Å²	119	116.2 Å²	116.2	80%	0.804	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-12.8	173.8	-73.1	0	0	0	0	114.5	R432	R432-C434 PolarHBondContact O-N 3.04Å
435	C	43.6	Very low	62.9	Low	108 Å²	108	109.1 Å²	109.1	73%	0.73	52%	0.523	S	S	*	.	S	Bend	trans	-121.9	-5.5	-165.3	-63.1	0	0	0	0	117.3	R432 Q433	R432-C435 PolarHBondContact O-N 2.75Å; R432-C435 VanDerWaalsContact O-N 3.12Å; Q433-C435 VanDerWaalsContact C-N 3.26Å; Q433-C435 PolarHBondContact O-N 3.22Å
436	R	41.6	Very low	63.2	Low	223 Å²	223	108.5 Å²	108.5	84%	0.842	52%	0.52	S	S	*	.	S	Bend	trans	-159.9	136.5	174.2	-102	162.6	-169.7	-177.7	2.5	110.7	W438	R436-W438 VanDerWaalsContact C-N 3.29Å; R436-W438 PolarHBondContact O-N 3.47Å
437	Q	37.6	Very low	63.5	Low	211 Å²	211	107.7 Å²	107.7	99%	0.986	52%	0.516	S	S	*	.			trans	-61.2	85	173.6	-77.6	179.6	-15.9	0	0	111
438	W	41.2	Very low	63.9	Low	183 Å²	183	111.1 Å²	111.1	69%	0.693	54%	0.537	S	S	*	.			trans	-93.2	114.7	169.7	-160.6	3.5	0	0	0	107.6	R436 P440	R436-W438 VanDerWaalsContact C-N 3.29Å; R436-W438 PolarHBondContact O-N 3.47Å; W438-P440 VanDerWaalsContact O-CD 3.25Å; W438-P440 WeakPolarHBondContact O-CD 3.4Å
439	K	52.4	Low	65	Low	190 Å²	190	108.1 Å²	108.1	83%	0.826	52%	0.519	S	S	*	.			trans	-64.9	115.6	167.8	-76.2	-174.2	178.2	-178.3	0	107.4	F441	K439-F441 PolarHBondContact O-N 2.86Å
440	P	55.1	Low	66.1	Low	86 Å²	86	103.5 Å²	103.5	56%	0.558	50%	0.498	S	S	*	.			trans	-61.1	131.3	-178.7	23.3	-30.8	0	0	0	109.3	W438 Q442	W438-P440 VanDerWaalsContact O-CD 3.25Å; W438-P440 WeakPolarHBondContact O-CD 3.4Å; P440-Q442 PolarHBondContact O-N 3.17Å; P440-Q442 VanDerWaalsContact O-N 3.1Å
441	F	65.9	Low	67.2	Low	145 Å²	145	108.6 Å²	108.6	64%	0.636	52%	0.521	S	S	*	.			trans	-60.6	113.4	171	171.1	-98.8	0	0	0	107.8	K439 P443 W534	K439-F441 PolarHBondContact O-N 2.86Å; F441-P443 HydrophobicContact CE1-CB 4.08Å; F441-P443 WeakPolarHBondContact O-CD 3.32Å; F441-W534 HydrophobicContact CE1-CH2 4.18Å; F441-W534 AromaticContact CE1-CZ2 3.78Å; F441-W534 HydrophobicContact CE1-CZ2 3.78Å; F441-W534 HydrophobicContact CZ-CZ2 4.21Å
442	Q	69.5	Low	68.6	Low	166 Å²	166	110.3 Å²	110.3	78%	0.776	53%	0.526	S	S	*	.			trans	-88.2	108.4	176.5	-74	-172.5	-21.9	0	0	109.2	P440	P440-Q442 PolarHBondContact O-N 3.17Å; P440-Q442 VanDerWaalsContact O-N 3.1Å
443	P	75.2	Confident	70.2	Confident	26 Å²	26	105 Å²	105	17%	0.169	51%	0.508	C	S	.	.			trans	-69.2	142.7	177.9	27.1	-32.2	0	0	0	111.4	F441 W534 T545	F441-P443 HydrophobicContact CE1-CB 4.08Å; F441-P443 WeakPolarHBondContact O-CD 3.32Å; P443-W534 HydrophobicContact CB-CH2 4.45Å; P443-T545 HydrophobicContact CB-CG2 3.34Å; P443-T545 HydrophobicContact CG-CG2 4.05Å
444	T	84.7	Confident	71.9	Confident	51 Å²	51	99.8 Å²	99.8	31%	0.313	48%	0.484	S	S	.	.			trans	-114.5	155.1	172.9	60.4	0	0	0	0	110.7	V448 R531	T444-V448 HydrophobicContact CG2-CG1 4.2Å; T444-R531 PolarHBondContact O-NH2 2.83Å
445	S	86.2	Confident	73.9	Confident	21 Å²	21	94.2 Å²	94.2	15%	0.147	45%	0.446	C	S	.	.			trans	-57.9	159	169.1	62.5	0	0	0	0	111.3	Q447 V448 W449 I547	S445-Q447 VanDerWaalsContact C-N 3.25Å; S445-Q447 PolarHBondContact O-N 3Å; S445-V448 PolarHBondContact O-N 3.42Å; S445-V448 WeakPolarHBondContact OG-CG2 3.09Å; S445-V448 PolarHBondContact OG-N 3.13Å; S445-V448 VanDerWaalsContact OG-N 3.17Å; S445-W449 WeakPolarHBondContact O-CB 3.38Å; S445-W449 PolarHBondContact O-N 2.85Å; S445-I547 VanDerWaalsContact CB-CD1 3.42Å
446	S	90	Very high	76	Confident	1 Å²	1	96.5 Å²	96.5	1%	0.007	44%	0.444	C	S	.	.	H	α-helix	trans	-58.3	-39.1	172.9	-70.7	0	0	0	0	112.1	W449 L450 L535 D737	S446-W449 PolarHBondContact O-N 3.23Å; S446-L450 WeakPolarHBondContact O-CB 3.19Å; S446-L450 WeakPolarHBondContact O-CG 3.12Å; S446-L450 PolarHBondContact O-N 3.3Å; S446-L535 WeakPolarHBondContact OG-CD1 3.42Å; S446-D737 WeakPolarHBondContact CB-O 3.45Å; S446-D737 PolarHBondContact OG-O 2.95Å
447	Q	87.6	Confident	78.3	Confident	96 Å²	96	88 Å²	88	45%	0.449	42%	0.421	S	S	.	.	H	α-helix	trans	-59.7	-51.1	177.1	-171.6	66.9	23.6	0	0	112.1	S445 W449 L450 H451	S445-Q447 VanDerWaalsContact C-N 3.25Å; S445-Q447 PolarHBondContact O-N 3Å; Q447-W449 VanDerWaalsContact C-N 3.31Å; Q447-W449 PolarHBondContact O-N 3.3Å; Q447-L450 PolarHBondContact O-N 3.42Å; Q447-H451 PolarHBondContact O-CD2 2.98Å; Q447-H451 PolarHBondContact O-N 3.29Å
448	V	89	Confident	80.8	Confident	81 Å²	81	83 Å²	83	49%	0.491	39%	0.393	S	S	.	.	H	α-helix	trans	-66.5	-36.6	178.4	174.2	0	0	0	0	111.1	T444 S445 L450 H451	T444-V448 HydrophobicContact CG2-CG1 4.2Å; S445-V448 PolarHBondContact O-N 3.42Å; S445-V448 WeakPolarHBondContact OG-CG2 3.09Å; S445-V448 PolarHBondContact OG-N 3.13Å; S445-V448 VanDerWaalsContact OG-N 3.17Å; V448-L450 VanDerWaalsContact C-N 3.34Å; V448-L450 PolarHBondContact O-N 3.22Å; V448-H451 WeakPolarHBondContact O-CB 3.36Å; V448-H451 PolarHBondContact O-N 3.23Å
449	W	90.7	Very high	82.9	Confident	31 Å²	31	82 Å²	82	12%	0.117	39%	0.394	C	S	.	.	H	α-helix	trans	-63.7	-40	176.5	-172.3	91.8	0	0	0	111.7	S445 S446 Q447 H451 K452 H453 L527 L528 R531 L741	S445-W449 WeakPolarHBondContact O-CB 3.38Å; S445-W449 PolarHBondContact O-N 2.85Å; S446-W449 PolarHBondContact O-N 3.23Å; Q447-W449 VanDerWaalsContact C-N 3.31Å; Q447-W449 PolarHBondContact O-N 3.3Å; W449-H451 VanDerWaalsContact C-N 3.35Å; W449-H451 PolarHBondContact O-N 3.45Å; W449-K452 PolarHBondContact O-N 3.16Å; W449-K452 VanDerWaalsContact O-N 3.11Å; W449-H453 AromaticContact CD1-CD2 3.9Å; W449-H453 HydrophobicContact CD2-CB 4.13Å; W449-H453 AromaticContact CD2-CD2 3.82Å; W449-H453 AromaticContact CE2-CD2 3.44Å; W449-H453 VanDerWaalsContact CE2-CD2 3.44Å; W449-H453 AromaticContact CE2-CG 3.8Å; W449-H453 HydrophobicContact CE3-CB 3.89Å; W449-H453 HydrophobicContact CH2-CB 3.54Å; W449-H453 AromaticContact CH2-CG 4Å; W449-H453 HydrophobicContact CZ2-CB 3.8Å; W449-H453 AromaticContact CZ2-CD2 3.82Å; W449-H453 AromaticContact CZ2-CG 3.71Å; W449-H453 HydrophobicContact CZ3-CB 3.57Å; W449-H453 AromaticContact NE1-CD2 3.5Å; W449-H453 PolarHBondContact NE1-CD2 2.91Å; W449-H453 AromaticContact NE1-NE2 3.9Å; W449-H453 PolarHBondContact O-CD2 3.27Å; W449-H453 PolarHBondContact O-N 2.89Å; W449-L527 HydrophobicContact CH2-CD2 3.81Å; W449-L527 HydrophobicContact CH2-CG 3.82Å; W449-L527 HydrophobicContact CZ2-CD2 4.11Å; W449-L527 HydrophobicContact CZ2-CG 4.13Å; W449-L528 HydrophobicContact CH2-CD2 4.34Å; W449-L528 HydrophobicContact CZ3-CD2 3.69Å; W449-R531 HydrophobicContact CD2-CG 4.28Å; W449-R531 HydrophobicContact CE3-CG 4.3Å; W449-R531 HydrophobicContact CH2-CB 4.19Å; W449-R531 HydrophobicContact CH2-CG 4.42Å; W449-R531 HydrophobicContact CZ2-CB 4.34Å; W449-R531 HydrophobicContact CZ2-CG 4.4Å; W449-R531 HydrophobicContact CZ3-CB 4.48Å; W449-R531 HydrophobicContact CZ3-CG 4.39Å; W449-L741 HydrophobicContact CE3-CD2 4.21Å; W449-L741 HydrophobicContact CZ3-CD2 4.27Å
450	L	92.4	Very high	84.6	Confident	12 Å²	12	73.5 Å²	73.5	6%	0.063	36%	0.357	C	S	.	.	H	α-helix	trans	-66	-31.8	175	-77.8	173.2	0	0	0	113.3	S446 Q447 V448 K452 H453 G454 L528 V740 L741 E744	S446-L450 WeakPolarHBondContact O-CB 3.19Å; S446-L450 WeakPolarHBondContact O-CG 3.12Å; S446-L450 PolarHBondContact O-N 3.3Å; Q447-L450 PolarHBondContact O-N 3.42Å; V448-L450 VanDerWaalsContact C-N 3.34Å; V448-L450 PolarHBondContact O-N 3.22Å; L450-K452 PolarHBondContact O-N 3.28Å; L450-K452 VanDerWaalsContact O-N 3.1Å; L450-H453 PolarHBondContact O-N 2.97Å; L450-G454 WeakPolarHBondContact O-CA 3.5Å; L450-G454 PolarHBondContact O-N 3.46Å; L450-L528 HydrophobicContact CD2-CD2 3.55Å; L450-V740 HydrophobicContact CD1-CB 4.43Å; L450-V740 HydrophobicContact CD1-CG1 3.42Å; L450-V740 VanDerWaalsContact CD1-CG1 3.42Å; L450-L741 HydrophobicContact CD1-CD2 4.05Å; L450-L741 HydrophobicContact CD2-CD2 3.93Å; L450-L741 HydrophobicContact CG-CD2 3.89Å; L450-E744 HydrophobicContact CD1-CB 4.3Å; L450-E744 HydrophobicContact CD2-CB 4.15Å; L450-E744 HydrophobicContact CD2-CG 3.74Å
451	H	90.1	Very high	86.2	Confident	137 Å²	137	70.3 Å²	70.3	63%	0.634	34%	0.336	S	S	*	.	H	α-helix	trans	-59.9	-21.5	171.9	-77.5	-66	0	0	0	113.6	Q447 V448 W449 A457	Q447-H451 PolarHBondContact O-CD2 2.98Å; Q447-H451 PolarHBondContact O-N 3.29Å; V448-H451 WeakPolarHBondContact O-CB 3.36Å; V448-H451 PolarHBondContact O-N 3.23Å; W449-H451 VanDerWaalsContact C-N 3.35Å; W449-H451 PolarHBondContact O-N 3.45Å; H451-A457 WeakPolarHBondContact O-CB 3.31Å
452	K	89	Confident	87.1	Confident	160 Å²	160	63.5 Å²	63.5	70%	0.696	31%	0.306	S	S	*	.	H	α-helix	trans	-100.9	-31.7	175.5	-171.2	176.2	-179.3	178.7	0	113.5	W449 L450	W449-K452 PolarHBondContact O-N 3.16Å; W449-K452 VanDerWaalsContact O-N 3.11Å; L450-K452 PolarHBondContact O-N 3.28Å; L450-K452 VanDerWaalsContact O-N 3.1Å
453	H	90.7	Very high	87.9	Confident	48 Å²	48	56.8 Å²	56.8	22%	0.222	27%	0.274	C	S	.	.	H	α-helix	trans	-117.9	-14.7	-169.1	-67.6	-77.9	0	0	0	115.8	W449 L450 R458 L524 L527	W449-H453 AromaticContact CD1-CD2 3.9Å; W449-H453 HydrophobicContact CD2-CB 4.13Å; W449-H453 AromaticContact CD2-CD2 3.82Å; W449-H453 AromaticContact CE2-CD2 3.44Å; W449-H453 VanDerWaalsContact CE2-CD2 3.44Å; W449-H453 AromaticContact CE2-CG 3.8Å; W449-H453 HydrophobicContact CE3-CB 3.89Å; W449-H453 HydrophobicContact CH2-CB 3.54Å; W449-H453 AromaticContact CH2-CG 4Å; W449-H453 HydrophobicContact CZ2-CB 3.8Å; W449-H453 AromaticContact CZ2-CD2 3.82Å; W449-H453 AromaticContact CZ2-CG 3.71Å; W449-H453 HydrophobicContact CZ3-CB 3.57Å; W449-H453 AromaticContact NE1-CD2 3.5Å; W449-H453 PolarHBondContact NE1-CD2 2.91Å; W449-H453 AromaticContact NE1-NE2 3.9Å; W449-H453 PolarHBondContact O-CD2 3.27Å; W449-H453 PolarHBondContact O-N 2.89Å; L450-H453 PolarHBondContact O-N 2.97Å; H453-R458 WeakPolarHBondContact O-CD 3.47Å; H453-R458 PolarHBondContact O-NE 2.95Å; H453-L524 WeakPolarHBondContact O-CD1 3.46Å; H453-L527 HydrophobicContact CB-CD2 4.28Å
454	G	90.1	Very high	88.4	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.01	29%	0.288	C	S	.	.	S	Bend	trans	-73	-178.4	-176.5	0	0	0	0	0	114.8	L450 K456 A457 R458	L450-G454 WeakPolarHBondContact O-CA 3.5Å; L450-G454 PolarHBondContact O-N 3.46Å; G454-K456 PolarHBondContact O-N 3.47Å; G454-A457 PolarHBondContact O-N 3.16Å; G454-R458 WeakPolarHBondContact O-CB 3.39Å; G454-R458 PolarHBondContact O-N 2.95Å
455	L	90.2	Very high	88.5	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.005	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-49.1	-179.4	-69.2	164.8	0	0	0	111.5	R458 K459 L460 I521 L524 E744 E747 A748 Y751	L455-R458 CarbonylContact O-C 3.53Å; L455-R458 PolarHBondContact O-N 3.49Å; L455-K459 PolarHBondContact O-N 2.89Å; L455-L460 HydrophobicContact CD2-CB 3.89Å; L455-L460 PolarHBondContact O-N 3.03Å; L455-I521 HydrophobicContact CD2-CD1 3.56Å; L455-L524 HydrophobicContact CD2-CD2 3.45Å; L455-L524 VanDerWaalsContact CD2-CD2 3.45Å; L455-L524 HydrophobicContact CG-CD2 3.76Å; L455-E744 WeakPolarHBondContact CA-OE1 3.49Å; L455-E744 WeakPolarHBondContact CB-OE1 3.4Å; L455-E744 HydrophobicContact CD1-CG 4.32Å; L455-E744 HydrophobicContact CG-CG 4.39Å; L455-E744 VanDerWaalsContact CG-OE1 3.28Å; L455-E744 WeakPolarHBondContact CG-OE1 3.2Å; L455-E744 PolarHBondContact N-OE1 2.94Å; L455-E747 HydrophobicContact CD1-CB 3.9Å; L455-E747 HydrophobicContact CD1-CG 3.95Å; L455-A748 HydrophobicContact CD1-CB 4.06Å; L455-A748 HydrophobicContact CD2-CB 4Å; L455-A748 HydrophobicContact CG-CB 4.41Å; L455-Y751 HydrophobicContact CD1-CD2 4.27Å; L455-Y751 HydrophobicContact CD1-CE2 4.17Å
456	K	87.8	Confident	88.5	Confident	156 Å²	156	58.9 Å²	58.9	68%	0.678	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-44	180	-69	177.3	-177.1	167.6	0	111.7	G454 R458 K459	G454-K456 PolarHBondContact O-N 3.47Å; K456-R458 VanDerWaalsContact C-N 3.29Å; K456-R458 PolarHBondContact O-N 3.41Å; K456-K459 PolarHBondContact O-N 3.03Å
457	A	89.1	Confident	88.3	Confident	45 Å²	45	61.1 Å²	61.1	37%	0.372	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-38.1	179.2	0	0	0	0	0	112.1	H451 G454	H451-A457 WeakPolarHBondContact O-CB 3.31Å; G454-A457 PolarHBondContact O-N 3.16Å
458	R	89.4	Confident	88.2	Confident	105 Å²	105	61.2 Å²	61.2	40%	0.396	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	2.8	179.3	-67.9	-176.3	168.5	-165.2	-4.9	114.4	H453 G454 L455 K456 L460	H453-R458 WeakPolarHBondContact O-CD 3.47Å; H453-R458 PolarHBondContact O-NE 2.95Å; G454-R458 WeakPolarHBondContact O-CB 3.39Å; G454-R458 PolarHBondContact O-N 2.95Å; L455-R458 CarbonylContact O-C 3.53Å; L455-R458 PolarHBondContact O-N 3.49Å; K456-R458 VanDerWaalsContact C-N 3.29Å; K456-R458 PolarHBondContact O-N 3.41Å; R458-L460 HydrophobicContact CB-CD1 3.75Å; R458-L460 HydrophobicContact CB-CG 3.8Å; R458-L460 PolarHBondContact O-N 3.35Å
459	K	86.4	Confident	87.9	Confident	163 Å²	163	59.2 Å²	59.2	71%	0.709	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	36.5	-175	-56	-179	179.4	-179.6	0	113.3	L455 K456	L455-K459 PolarHBondContact O-N 2.89Å; K456-K459 PolarHBondContact O-N 3.03Å
460	L	88.2	Confident	87.6	Confident	11 Å²	11	58.6 Å²	58.6	6%	0.058	29%	0.292	C	S	.	.			trans	-95.9	17.1	-177.9	-68.6	175.2	0	0	0	113.2	L455 R458 L462 Y517 Q520 I521 L524	L455-L460 HydrophobicContact CD2-CB 3.89Å; L455-L460 PolarHBondContact O-N 3.03Å; R458-L460 HydrophobicContact CB-CD1 3.75Å; R458-L460 HydrophobicContact CB-CG 3.8Å; R458-L460 PolarHBondContact O-N 3.35Å; L460-L462 PolarHBondContact O-N 3.16Å; L460-Y517 HydrophobicContact CB-CE2 4.38Å; L460-Y517 HydrophobicContact CD2-CD2 4.29Å; L460-Y517 HydrophobicContact CD2-CE2 4.24Å; L460-Y517 VanDerWaalsContact O-CE2 3.32Å; L460-Y517 WeakPolarHBondContact O-CE2 3.48Å; L460-Y517 PolarHBondContact O-OH 2.98Å; L460-Q520 HydrophobicContact CD1-CB 4.43Å; L460-Q520 HydrophobicContact CD2-CB 3.81Å; L460-Q520 VanDerWaalsContact CD2-OE1 3.25Å; L460-I521 HydrophobicContact CB-CD1 4.03Å; L460-L524 HydrophobicContact CD1-CB 4.42Å; L460-L524 HydrophobicContact CD1-CD2 4.02Å
461	N	87.4	Confident	87.2	Confident	19 Å²	19	63.4 Å²	63.4	10%	0.102	31%	0.31	C	S	.	.			trans	-68.2	131.7	171.4	-175.4	-55.3	0	0	0	109.6	F463 Q464 M465 Y751	N461-F463 VanDerWaalsContact C-N 3.27Å; N461-F463 PolarHBondContact O-N 2.86Å; N461-F463 WeakPolarHBondContact OD1-CD2 3.49Å; N461-F463 PolarHBondContact OD1-N 3.11Å; N461-Q464 HydrophobicContact CB-CB 4.21Å; N461-Q464 HydrophobicContact CB-CG 3.96Å; N461-Q464 WeakPolarHBondContact O-CB 3.28Å; N461-Q464 PolarHBondContact O-N 3.31Å; N461-M465 PolarHBondContact O-N 2.88Å; N461-M465 VanDerWaalsContact O-N 3.07Å; N461-Y751 PolarHBondContact ND2-OH 3.35Å
462	L	85.9	Confident	86.7	Confident	3 Å²	3	60.6 Å²	60.6	2%	0.016	31%	0.306	C	S	.	.	H	α-helix	trans	-54.4	-42.5	-177.3	-179.7	64.4	0	0	0	112.5	L460 Q464 M465 L466 Y517 Y751 Q754 A755	L460-L462 PolarHBondContact O-N 3.16Å; L462-Q464 VanDerWaalsContact C-N 3.31Å; L462-Q464 PolarHBondContact O-N 3.12Å; L462-M465 WeakPolarHBondContact O-CB 3.32Å; L462-M465 PolarHBondContact O-N 3.44Å; L462-M465 VanDerWaalsContact O-N 3.17Å; L462-L466 HydrophobicContact CD1-CD1 4.14Å; L462-L466 HydrophobicContact CD1-CG 4.17Å; L462-L466 HydrophobicContact CG-CD1 3.97Å; L462-L466 HydrophobicContact CG-CG 4.34Å; L462-L466 WeakPolarHBondContact O-CG 3.08Å; L462-L466 PolarHBondContact O-N 2.82Å; L462-Y517 HydrophobicContact CD1-CE1 3.89Å; L462-Y517 PolarHBondContact N-OH 3.24Å; L462-Y751 HydrophobicContact CB-CD1 3.44Å; L462-Y751 VanDerWaalsContact CB-CD1 3.44Å; L462-Y751 HydrophobicContact CB-CE1 4.04Å; L462-Y751 HydrophobicContact CB-CG 3.82Å; L462-Y751 HydrophobicContact CD2-CD1 4.29Å; L462-Q754 HydrophobicContact CD2-CB 3.4Å; L462-Q754 HydrophobicContact CD2-CG 4.33Å; L462-A755 HydrophobicContact CD1-CB 4.3Å
463	F	86.7	Confident	85.8	Confident	25 Å²	25	58 Å²	58	11%	0.11	30%	0.297	C	S	.	.	H	α-helix	trans	-67.8	-31.8	-179.9	-60.3	-77	0	0	0	112.2	N461 M465 A467 W499 L500 Y751	N461-F463 VanDerWaalsContact C-N 3.27Å; N461-F463 PolarHBondContact O-N 2.86Å; N461-F463 WeakPolarHBondContact OD1-CD2 3.49Å; N461-F463 PolarHBondContact OD1-N 3.11Å; F463-M465 VanDerWaalsContact C-N 3.34Å; F463-A467 VanDerWaalsContact O-CB 3.29Å; F463-A467 WeakPolarHBondContact O-CB 3.08Å; F463-A467 PolarHBondContact O-N 3.48Å; F463-W499 HydrophobicContact CB-CH2 4.16Å; F463-W499 HydrophobicContact CB-CZ2 3.82Å; F463-W499 AromaticContact CD1-CD2 3.85Å; F463-W499 HydrophobicContact CD1-CD2 3.85Å; F463-W499 AromaticContact CD1-CE3 3.81Å; F463-W499 HydrophobicContact CD1-CE3 3.81Å; F463-W499 HydrophobicContact CD1-CG 4.41Å; F463-W499 HydrophobicContact CD1-CH2 4.33Å; F463-W499 HydrophobicContact CD1-CZ2 4.38Å; F463-W499 HydrophobicContact CD1-CZ3 4.06Å; F463-W499 HydrophobicContact CE1-CE3 4.46Å; F463-W499 WeakPolarHBondContact O-CH2 3.24Å; F463-W499 WeakPolarHBondContact O-CZ2 3.41Å; F463-L500 HydrophobicContact CB-CD1 4.26Å; F463-L500 HydrophobicContact CD1-CG 4.31Å; F463-L500 HydrophobicContact CD2-CD1 3.64Å; F463-L500 HydrophobicContact CD2-CD2 3.72Å; F463-L500 HydrophobicContact CD2-CG 3.46Å; F463-L500 VanDerWaalsContact CD2-CG 3.46Å; F463-L500 HydrophobicContact CE1-CG 4.4Å; F463-L500 HydrophobicContact CE2-CD1 4.21Å; F463-L500 HydrophobicContact CE2-CD2 3.37Å; F463-L500 HydrophobicContact CE2-CG 3.58Å; F463-L500 HydrophobicContact CG-CD1 4.02Å; F463-L500 HydrophobicContact CG-CG 3.85Å; F463-L500 HydrophobicContact CZ-CD2 3.96Å; F463-L500 HydrophobicContact CZ-CG 4.05Å; F463-Y751 HydrophobicContact CE2-CE1 4.33Å
464	Q	85.8	Confident	84.7	Confident	99 Å²	99	60.8 Å²	60.8	46%	0.463	32%	0.317	S	S	.	.	H	α-helix	trans	-68.7	-36.7	173.6	-69.1	177.1	-13.7	0	0	111.4	N461 L462	N461-Q464 HydrophobicContact CB-CB 4.21Å; N461-Q464 HydrophobicContact CB-CG 3.96Å; N461-Q464 WeakPolarHBondContact O-CB 3.28Å; N461-Q464 PolarHBondContact O-N 3.31Å; L462-Q464 VanDerWaalsContact C-N 3.31Å; L462-Q464 PolarHBondContact O-N 3.12Å
465	M	85.2	Confident	83.8	Confident	37 Å²	37	65.4 Å²	65.4	18%	0.182	34%	0.344	C	S	.	.	H	α-helix	trans	-68	-41.6	175.7	-177.2	-84.6	155	0	0	111.9	N461 L462 F463 P468 E513 L514 Y517	N461-M465 PolarHBondContact O-N 2.88Å; N461-M465 VanDerWaalsContact O-N 3.07Å; L462-M465 WeakPolarHBondContact O-CB 3.32Å; L462-M465 PolarHBondContact O-N 3.44Å; L462-M465 VanDerWaalsContact O-N 3.17Å; F463-M465 VanDerWaalsContact C-N 3.34Å; M465-P468 VanDerWaalsContact O-CD 3.31Å; M465-P468 WeakPolarHBondContact O-CD 3.26Å; M465-E513 HydrophobicContact CE-CB 3.5Å; M465-E513 VanDerWaalsContact CE-CB 3.5Å; M465-L514 HydrophobicContact CE-CD2 4.25Å; M465-L514 HydrophobicContact SD-CD2 3.88Å; M465-Y517 HydrophobicContact CB-CD2 4.2Å; M465-Y517 HydrophobicContact CB-CE2 4.26Å; M465-Y517 HydrophobicContact CG-CD2 3.93Å; M465-Y517 HydrophobicContact CG-CE2 4.47Å; M465-Y517 HydrophobicContact CG-CG 4.14Å
466	L	86.5	Confident	83.1	Confident	6 Å²	6	67 Å²	67	3%	0.031	36%	0.361	C	S	.	.	H	α-helix	trans	-77.6	-21	179.6	-62.3	177.3	0	0	0	113.5	L462 P468 N469 A470 W499 V507 L514 L758	L462-L466 HydrophobicContact CD1-CD1 4.14Å; L462-L466 HydrophobicContact CD1-CG 4.17Å; L462-L466 HydrophobicContact CG-CD1 3.97Å; L462-L466 HydrophobicContact CG-CG 4.34Å; L462-L466 WeakPolarHBondContact O-CG 3.08Å; L462-L466 PolarHBondContact O-N 2.82Å; L466-P468 VanDerWaalsContact C-CD 3.43Å; L466-N469 CarbonylContact O-C 3.56Å; L466-N469 PolarHBondContact O-N 3.33Å; L466-A470 WeakPolarHBondContact O-CB 3.41Å; L466-A470 PolarHBondContact O-N 3.23Å; L466-A470 VanDerWaalsContact O-N 3.16Å; L466-W499 HydrophobicContact CB-CH2 3.92Å; L466-W499 HydrophobicContact CB-CZ3 4.05Å; L466-V507 HydrophobicContact CB-CG1 4.16Å; L466-V507 HydrophobicContact CD1-CG1 4.5Å; L466-V507 HydrophobicContact CD2-CG1 3.95Å; L466-V507 HydrophobicContact CG-CG1 4.41Å; L466-L514 HydrophobicContact CD2-CD2 4.35Å; L466-L758 HydrophobicContact CD1-CD1 3.76Å; L466-L758 HydrophobicContact CD2-CD1 4.18Å
467	A	86.1	Confident	82.8	Confident	48 Å²	48	66.1 Å²	66.1	40%	0.397	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-53.7	-42.1	-172.2	0	0	0	0	0	115	F463 N469 A470 W499	F463-A467 VanDerWaalsContact O-CB 3.29Å; F463-A467 WeakPolarHBondContact O-CB 3.08Å; F463-A467 PolarHBondContact O-N 3.48Å; A467-N469 PolarHBondContact O-N 3.02Å; A467-A470 PolarHBondContact O-N 3.44Å; A467-W499 HydrophobicContact CB-CH2 4.21Å; A467-W499 HydrophobicContact CB-CZ2 4.03Å
468	P	85.1	Confident	82.3	Confident	98 Å²	98	67.2 Å²	67.2	64%	0.636	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-61.7	-27.9	178.4	-23.2	35.3	0	0	0	113.7	M465 L466	M465-P468 VanDerWaalsContact O-CD 3.31Å; M465-P468 WeakPolarHBondContact O-CD 3.26Å; L466-P468 VanDerWaalsContact C-CD 3.43Å
469	N	83.4	Confident	81.7	Confident	38 Å²	38	67 Å²	67	20%	0.203	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-107.9	13.3	-176.9	-67.6	-34.2	0	0	0	112.8	L466 A467 V507 H508 E513	L466-N469 CarbonylContact O-C 3.56Å; L466-N469 PolarHBondContact O-N 3.33Å; A467-N469 PolarHBondContact O-N 3.02Å; N469-V507 WeakPolarHBondContact O-CA 3.38Å; N469-H508 HydrophobicContact CB-CB 4.32Å; N469-H508 VanDerWaalsContact CB-O 3.32Å; N469-H508 WeakPolarHBondContact CB-O 3.42Å; N469-H508 PolarHBondContact O-N 3.26Å; N469-E513 PolarHBondContact ND2-OE2 3.05Å
470	A	85.2	Confident	81.5	Confident	19 Å²	19	64.5 Å²	64.5	16%	0.157	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	121.6	-177.3	0	0	0	0	0	111.8	L466 A467 W499 K505 V507	L466-A470 WeakPolarHBondContact O-CB 3.41Å; L466-A470 PolarHBondContact O-N 3.23Å; L466-A470 VanDerWaalsContact O-N 3.16Å; A467-A470 PolarHBondContact O-N 3.44Å; A470-W499 HydrophobicContact CB-CH2 3.88Å; A470-W499 HydrophobicContact CB-CZ3 3.81Å; A470-K505 HydrophobicContact CB-CB 4.24Å; A470-K505 HydrophobicContact CB-CD 4.01Å; A470-V507 HydrophobicContact CB-CG2 3.96Å
471	Y	83.3	Confident	81.2	Confident	112 Å²	112	68 Å²	68	44%	0.439	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	130.8	-177.1	-58.9	-90.2	0	0	0	111.1	M494 K505 N506	Y471-M494 HydrophobicContact CD2-CE 3.89Å; Y471-M494 HydrophobicContact CD2-SD 3.89Å; Y471-M494 HydrophobicContact CE2-CE 3.92Å; Y471-M494 HydrophobicContact CE2-SD 4.41Å; Y471-K505 WeakPolarHBondContact O-CA 3.24Å; Y471-N506 PolarHBondContact N-O 3.25Å; Y471-N506 PolarHBondContact O-N 2.95Å
472	S	79.2	Confident	80.6	Confident	78 Å²	78	74.4 Å²	74.4	55%	0.545	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	146.5	174.2	-60.1	0	0	0	0	111.3	V474	S472-V474 PolarHBondContact O-N 2.9Å
473	Q	70.8	Confident	80.2	Confident	107 Å²	107	83.1 Å²	83.1	50%	0.5	45%	0.449	S	S	.	.			trans	-68.2	118.6	172.2	-70.7	-174.5	-10.2	0	0	110.2
474	V	67.9	Low	79.8	Confident	106 Å²	106	85.8 Å²	85.8	64%	0.642	47%	0.47	S	S	*	.			trans	-104.3	125.2	174.4	-175.9	0	0	0	0	108.8	S472	S472-V474 PolarHBondContact O-N 2.9Å
475	V	70.6	Confident	79.1	Confident	97 Å²	97	83.8 Å²	83.8	59%	0.588	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.8	113.4	173	-179.3	0	0	0	0	107.8
476	G	75	Confident	78.3	Confident	35 Å²	35	85.6 Å²	85.6	36%	0.361	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	128.2	176.7	0	0	0	0	0	110.9	V485	G476-V485 PolarHBondContact N-O 2.94Å; G476-V485 PolarHBondContact O-N 2.82Å
477	Y	82	Confident	77.3	Confident	138 Å²	138	87.9 Å²	87.9	54%	0.541	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	123.2	169.6	-174.7	-99.5	0	0	0	109.5	P479 Q482	Y477-P479 HydrophobicContact CD1-CG 4.36Å; Y477-P479 WeakPolarHBondContact O-CD 3.4Å; Y477-Q482 WeakPolarHBondContact OH-CA 3.4Å
478	I	78.6	Confident	76.1	Confident	67 Å²	67	92.9 Å²	92.9	34%	0.344	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	108	179	-57.7	-176.4	0	0	0	108.2	S480 I481 Q482 R483 V485	I478-S480 VanDerWaalsContact C-N 3.29Å; I478-S480 VanDerWaalsContact CG2-OG 3.31Å; I478-S480 WeakPolarHBondContact CG2-OG 3.4Å; I478-S480 PolarHBondContact O-N 3.35Å; I478-I481 HydrophobicContact CB-CD1 3.83Å; I478-I481 HydrophobicContact CB-CG1 3.63Å; I478-I481 HydrophobicContact CD1-CD1 4.16Å; I478-I481 HydrophobicContact CG1-CD1 4.44Å; I478-I481 HydrophobicContact CG2-CD1 4.15Å; I478-I481 HydrophobicContact CG2-CG1 3.76Å; I478-I481 WeakPolarHBondContact O-CG1 3.43Å; I478-I481 PolarHBondContact O-N 2.62Å; I478-Q482 PolarHBondContact O-N 2.93Å; I478-Q482 VanDerWaalsContact O-N 3.15Å; I478-R483 PolarHBondContact N-O 3.09Å; I478-V485 HydrophobicContact CD1-CB 3.97Å; I478-V485 HydrophobicContact CD1-CG2 3.57Å; I478-V485 HydrophobicContact CG1-CB 4.39Å; I478-V485 HydrophobicContact CG1-CG2 3.98Å
479	P	77.4	Confident	74.7	Confident	101 Å²	101	94.8 Å²	94.8	66%	0.656	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-61.2	-32.9	-173.6	-24.9	34.6	0	0	0	114.2	Y477 I481 Q482	Y477-P479 HydrophobicContact CD1-CG 4.36Å; Y477-P479 WeakPolarHBondContact O-CD 3.4Å; P479-I481 VanDerWaalsContact C-N 3.27Å; P479-I481 PolarHBondContact O-N 2.88Å; P479-Q482 PolarHBondContact O-N 3.29Å
480	S	81.5	Confident	73.6	Confident	111 Å²	111	94.9 Å²	94.9	78%	0.776	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-68.4	-21.5	-179	39.5	0	0	0	0	114.1	I478	I478-S480 VanDerWaalsContact C-N 3.29Å; I478-S480 VanDerWaalsContact CG2-OG 3.31Å; I478-S480 WeakPolarHBondContact CG2-OG 3.4Å; I478-S480 PolarHBondContact O-N 3.35Å
481	I	82	Confident	72.2	Confident	84 Å²	84	100.5 Å²	100.5	43%	0.431	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-113.3	-0.8	177.3	61.2	171.3	0	0	0	113	I478 P479 R483 V485	I478-I481 HydrophobicContact CB-CD1 3.83Å; I478-I481 HydrophobicContact CB-CG1 3.63Å; I478-I481 HydrophobicContact CD1-CD1 4.16Å; I478-I481 HydrophobicContact CG1-CD1 4.44Å; I478-I481 HydrophobicContact CG2-CD1 4.15Å; I478-I481 HydrophobicContact CG2-CG1 3.76Å; I478-I481 WeakPolarHBondContact O-CG1 3.43Å; I478-I481 PolarHBondContact O-N 2.62Å; P479-I481 VanDerWaalsContact C-N 3.27Å; P479-I481 PolarHBondContact O-N 2.88Å; I481-R483 HydrophobicContact CD1-CB 3.98Å; I481-R483 HydrophobicContact CG1-CB 4.04Å; I481-R483 WeakPolarHBondContact O-CG 3.28Å; I481-R483 PolarHBondContact O-N 3.15Å; I481-R483 VanDerWaalsContact O-N 3.15Å; I481-V485 HydrophobicContact CD1-CG2 3.47Å; I481-V485 VanDerWaalsContact CD1-CG2 3.47Å
482	Q	74.1	Confident	71	Confident	154 Å²	154	104.3 Å²	104.3	72%	0.72	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	47.3	39.3	-175.3	-61.7	-171.6	-12.5	0	0	113.6	Y477 I478 P479	Y477-Q482 WeakPolarHBondContact OH-CA 3.4Å; I478-Q482 PolarHBondContact O-N 2.93Å; I478-Q482 VanDerWaalsContact O-N 3.15Å; P479-Q482 PolarHBondContact O-N 3.29Å
483	R	78.6	Confident	70.3	Confident	185 Å²	185	105.1 Å²	105.1	70%	0.698	57%	0.565	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-139	143.3	-177.7	-71.8	176.9	-175.5	-169.4	1.7	110.5	I478 I481	I478-R483 PolarHBondContact N-O 3.09Å; I481-R483 HydrophobicContact CD1-CB 3.98Å; I481-R483 HydrophobicContact CG1-CB 4.04Å; I481-R483 WeakPolarHBondContact O-CG 3.28Å; I481-R483 PolarHBondContact O-N 3.15Å; I481-R483 VanDerWaalsContact O-N 3.15Å
484	S	77.5	Confident	70.5	Confident	81 Å²	81	101.5 Å²	101.5	57%	0.566	55%	0.549	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	126.1	165.6	-60.2	0	0	0	0	109.4
485	V	70.2	Confident	71	Confident	58 Å²	58	97.3 Å²	97.3	35%	0.352	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	128.5	-179.9	-174.3	0	0	0	0	108.9	G476 I478 I481	G476-V485 PolarHBondContact N-O 2.94Å; G476-V485 PolarHBondContact O-N 2.82Å; I478-V485 HydrophobicContact CD1-CB 3.97Å; I478-V485 HydrophobicContact CD1-CG2 3.57Å; I478-V485 HydrophobicContact CG1-CB 4.39Å; I478-V485 HydrophobicContact CG1-CG2 3.98Å; I481-V485 HydrophobicContact CD1-CG2 3.47Å; I481-V485 VanDerWaalsContact CD1-CG2 3.47Å
486	S	70.2	Confident	71.5	Confident	75 Å²	75	97.7 Å²	97.7	52%	0.524	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	149.4	167.7	54.9	0	0	0	0	109.9	Q488	S486-Q488 PolarHBondContact O-N 3.45Å
487	A	65.2	Low	71.7	Confident	53 Å²	53	97 Å²	97	44%	0.438	51%	0.507	S	S	.	.			trans	-67.2	101.6	177.9	0	0	0	0	0	111.4	I489	A487-I489 PolarHBondContact O-N 3.25Å
488	Q	60.1	Low	71.7	Confident	153 Å²	153	99.1 Å²	99.1	72%	0.715	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-20.2	179.2	-72.4	-175.8	-22.8	0	0	113.9	S486 H490 E491	S486-Q488 PolarHBondContact O-N 3.45Å; Q488-H490 PolarHBondContact O-N 2.97Å; Q488-E491 PolarHBondContact O-N 3.43Å
489	I	56.6	Low	71.9	Confident	139 Å²	139	97.5 Å²	97.5	71%	0.713	50%	0.504	S	S	*	.	H	α-helix	trans	-62.5	-31	-174	-60.6	170.6	0	0	0	111.4	A487	A487-I489 PolarHBondContact O-N 3.25Å
490	H	59	Low	71.9	Confident	40 Å²	40	98.5 Å²	98.5	19%	0.185	50%	0.503	C	S	.	.	H	α-helix	trans	-76	-24.7	-177.4	-62.3	-80.6	0	0	0	113.6	Q488 K492 M494 N506	Q488-H490 PolarHBondContact O-N 2.97Å; H490-K492 PolarHBondContact O-N 2.84Å; H490-M494 HydrophobicContact CB-SD 4.34Å; H490-M494 WeakPolarHBondContact ND1-CE 3.45Å; H490-M494 PolarHBondContact ND1-SD 3.5Å; H490-M494 VanDerWaalsContact O-CB 3.31Å; H490-M494 WeakPolarHBondContact O-CB 3.42Å; H490-M494 PolarHBondContact O-N 3.42Å; H490-N506 HydrophobicContact CB-CB 3.9Å; H490-N506 WeakPolarHBondContact CB-ND2 3.49Å
491	E	56.1	Low	71.8	Confident	136 Å²	136	98.6 Å²	98.6	64%	0.636	50%	0.495	S	S	*	.	H	α-helix	trans	-70.2	-33.3	-169.5	-163.7	171.2	-167.3	0	0	112.8	Q488	Q488-E491 PolarHBondContact O-N 3.43Å
492	K	58.1	Low	71.6	Confident	192 Å²	192	96.6 Å²	96.6	84%	0.835	50%	0.495	S	S	*	.	H	α-helix	trans	-90.7	-29.4	-179.9	-65.5	-172.6	178.8	-176	0	114.1	H490	H490-K492 PolarHBondContact O-N 2.84Å
493	C	64.6	Low	72	Confident	96 Å²	96	91.2 Å²	91.2	65%	0.649	48%	0.475	S	S	*	.	H	α-helix	trans	-109.8	-8.3	-171.3	-60.5	0	0	0	0	114.6
494	M	75.7	Confident	72.1	Confident	31 Å²	31	85.9 Å²	85.9	15%	0.153	46%	0.459	C	S	.	.			trans	-126.8	162.6	-177.1	-58.5	-167.1	-175.4	0	0	112.5	Y471 H490 N506 V507 H508 K765	Y471-M494 HydrophobicContact CD2-CE 3.89Å; Y471-M494 HydrophobicContact CD2-SD 3.89Å; Y471-M494 HydrophobicContact CE2-CE 3.92Å; Y471-M494 HydrophobicContact CE2-SD 4.41Å; H490-M494 HydrophobicContact CB-SD 4.34Å; H490-M494 WeakPolarHBondContact ND1-CE 3.45Å; H490-M494 PolarHBondContact ND1-SD 3.5Å; H490-M494 VanDerWaalsContact O-CB 3.31Å; H490-M494 WeakPolarHBondContact O-CB 3.42Å; H490-M494 PolarHBondContact O-N 3.42Å; M494-N506 HydrophobicContact CB-CB 4.16Å; M494-N506 HydrophobicContact SD-CB 3.97Å; M494-V507 WeakPolarHBondContact CB-O 3.39Å; M494-H508 HydrophobicContact CE-CB 4.2Å; M494-H508 HydrophobicContact CG-CB 4.36Å; M494-H508 HydrophobicContact SD-CB 4.34Å; M494-K765 PolarHBondContact O-NZ 3.47Å
495	V	78.6	Confident	72.4	Confident	17 Å²	17	83.9 Å²	83.9	10%	0.103	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	131.8	176.8	-177.7	0	0	0	0	108.5	V497 V507 V509 L758 S761 I762	V495-V497 HydrophobicContact CG1-CG2 4.33Å; V495-V497 PolarHBondContact O-N 2.95Å; V495-V507 PolarHBondContact N-O 2.79Å; V495-V507 PolarHBondContact O-N 2.84Å; V495-V509 HydrophobicContact CB-CG2 4.39Å; V495-V509 HydrophobicContact CG2-CG2 4.31Å; V495-L758 HydrophobicContact CG1-CD2 4Å; V495-S761 WeakPolarHBondContact CG2-OG 3.39Å; V495-I762 HydrophobicContact CG2-CG1 3.96Å
496	Q	79.3	Confident	72.9	Confident	106 Å²	106	81.5 Å²	81.5	50%	0.495	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	118.8	174.8	-76.7	179.1	5.5	0	0	109.6	I504 K505 N506	Q496-I504 HydrophobicContact CB-CG2 3.83Å; Q496-I504 HydrophobicContact CG-CG2 4.02Å; Q496-K505 WeakPolarHBondContact CA-O 3.45Å; Q496-N506 VanDerWaalsContact CG-OD1 3.24Å; Q496-N506 WeakPolarHBondContact CG-OD1 3.33Å
497	V	80.2	Confident	73.4	Confident	21 Å²	21	78 Å²	78	13%	0.127	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	131.3	179.2	-175.3	0	0	0	0	108.7	V495 W499 K505 V507 L758	V495-V497 HydrophobicContact CG1-CG2 4.33Å; V495-V497 PolarHBondContact O-N 2.95Å; V497-W499 PolarHBondContact O-N 2.8Å; V497-K505 PolarHBondContact N-O 3.48Å; V497-K505 PolarHBondContact O-N 2.89Å; V497-V507 HydrophobicContact CB-CG2 3.81Å; V497-V507 HydrophobicContact CG2-CB 4Å; V497-V507 HydrophobicContact CG2-CG2 3.65Å; V497-L758 HydrophobicContact CG2-CD2 3.59Å
498	R	82.8	Confident	74.3	Confident	182 Å²	182	79.7 Å²	79.7	69%	0.687	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	122.5	171.4	-175.5	176.6	-71.5	-157	-2.3	108.9	S503	R498-S503 WeakPolarHBondContact CA-O 3.31Å
499	W	81.7	Confident	75.1	Confident	33 Å²	33	73 Å²	73	13%	0.125	37%	0.369	C	S	.	.			trans	-82.7	170.4	-179.8	-147.1	-106.3	0	0	0	111.6	F463 L466 A467 A470 V497 D501 G502 S503 K505 V507	F463-W499 HydrophobicContact CB-CH2 4.16Å; F463-W499 HydrophobicContact CB-CZ2 3.82Å; F463-W499 AromaticContact CD1-CD2 3.85Å; F463-W499 HydrophobicContact CD1-CD2 3.85Å; F463-W499 AromaticContact CD1-CE3 3.81Å; F463-W499 HydrophobicContact CD1-CE3 3.81Å; F463-W499 HydrophobicContact CD1-CG 4.41Å; F463-W499 HydrophobicContact CD1-CH2 4.33Å; F463-W499 HydrophobicContact CD1-CZ2 4.38Å; F463-W499 HydrophobicContact CD1-CZ3 4.06Å; F463-W499 HydrophobicContact CE1-CE3 4.46Å; F463-W499 WeakPolarHBondContact O-CH2 3.24Å; F463-W499 WeakPolarHBondContact O-CZ2 3.41Å; L466-W499 HydrophobicContact CB-CH2 3.92Å; L466-W499 HydrophobicContact CB-CZ3 4.05Å; A467-W499 HydrophobicContact CB-CH2 4.21Å; A467-W499 HydrophobicContact CB-CZ2 4.03Å; A470-W499 HydrophobicContact CB-CH2 3.88Å; A470-W499 HydrophobicContact CB-CZ3 3.81Å; V497-W499 PolarHBondContact O-N 2.8Å; W499-D501 WeakPolarHBondContact CB-OD1 3.26Å; W499-D501 PolarHBondContact O-N 2.87Å; W499-G502 PolarHBondContact O-N 3.06Å; W499-S503 PolarHBondContact N-O 3.06Å; W499-K505 HydrophobicContact CB-CD 4.48Å; W499-K505 HydrophobicContact CB-CG 4.48Å; W499-K505 HydrophobicContact CD2-CD 3.75Å; W499-K505 HydrophobicContact CD2-CG 4.47Å; W499-K505 HydrophobicContact CE3-CB 4.3Å; W499-K505 HydrophobicContact CE3-CD 3.8Å; W499-K505 HydrophobicContact CE3-CG 4.31Å; W499-K505 HydrophobicContact CG-CD 4.06Å; W499-K505 HydrophobicContact CZ3-CD 4.3Å; W499-V507 HydrophobicContact CZ3-CG2 4.41Å
500	L	78.4	Confident	76.3	Confident	121 Å²	121	69 Å²	69	63%	0.634	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-26.1	-179.4	-71.7	170.4	0	0	0	114	F463 G502	F463-L500 HydrophobicContact CB-CD1 4.26Å; F463-L500 HydrophobicContact CD1-CG 4.31Å; F463-L500 HydrophobicContact CD2-CD1 3.64Å; F463-L500 HydrophobicContact CD2-CD2 3.72Å; F463-L500 HydrophobicContact CD2-CG 3.46Å; F463-L500 VanDerWaalsContact CD2-CG 3.46Å; F463-L500 HydrophobicContact CE1-CG 4.4Å; F463-L500 HydrophobicContact CE2-CD1 4.21Å; F463-L500 HydrophobicContact CE2-CD2 3.37Å; F463-L500 HydrophobicContact CE2-CG 3.58Å; F463-L500 HydrophobicContact CG-CD1 4.02Å; F463-L500 HydrophobicContact CG-CG 3.85Å; F463-L500 HydrophobicContact CZ-CD2 3.96Å; F463-L500 HydrophobicContact CZ-CG 4.05Å; L500-G502 VanDerWaalsContact C-N 3.3Å
501	D	79.6	Confident	77.4	Confident	113 Å²	113	69.8 Å²	69.8	60%	0.604	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	3.8	177.9	61.4	4.4	0	0	0	113.2	W499 S503	W499-D501 WeakPolarHBondContact CB-OD1 3.26Å; W499-D501 PolarHBondContact O-N 2.87Å; D501-S503 VanDerWaalsContact CG-OG 3.32Å; D501-S503 PolarHBondContact O-N 3.09Å; D501-S503 WeakPolarHBondContact OD1-CB 3.34Å; D501-S503 PolarHBondContact OD1-N 2.93Å; D501-S503 PolarHBondContact OD1-OG 2.84Å; D501-S503 PolarHBondContact OD2-OG 2.8Å
502	G	77.7	Confident	78.8	Confident	43 Å²	43	68.8 Å²	68.8	44%	0.443	36%	0.357	S	S	.	.	S	Bend	trans	80.5	-5.9	-174.5	0	0	0	0	0	114.8	W499 L500	W499-G502 PolarHBondContact O-N 3.06Å; L500-G502 VanDerWaalsContact C-N 3.3Å
503	S	81.3	Confident	80	Confident	41 Å²	41	63.4 Å²	63.4	29%	0.287	34%	0.335	S	S	.	.			trans	-67.2	151.4	174.4	71.9	0	0	0	0	111.3	R498 W499 D501	R498-S503 WeakPolarHBondContact CA-O 3.31Å; W499-S503 PolarHBondContact N-O 3.06Å; D501-S503 VanDerWaalsContact CG-OG 3.32Å; D501-S503 PolarHBondContact O-N 3.09Å; D501-S503 WeakPolarHBondContact OD1-CB 3.34Å; D501-S503 PolarHBondContact OD1-N 2.93Å; D501-S503 PolarHBondContact OD1-OG 2.84Å; D501-S503 PolarHBondContact OD2-OG 2.8Å
504	I	81.4	Confident	81	Confident	73 Å²	73	58.9 Å²	58.9	37%	0.374	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	119.8	174	-59.9	174.4	0	0	0	107.7	Q496	Q496-I504 HydrophobicContact CB-CG2 3.83Å; Q496-I504 HydrophobicContact CG-CG2 4.02Å
505	K	82.5	Confident	81.4	Confident	39 Å²	39	65.1 Å²	65.1	17%	0.17	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	142	174.3	-63.3	-169.4	-177.1	176.7	0	110.2	A470 Y471 Q496 V497 W499	A470-K505 HydrophobicContact CB-CB 4.24Å; A470-K505 HydrophobicContact CB-CD 4.01Å; Y471-K505 WeakPolarHBondContact O-CA 3.24Å; Q496-K505 WeakPolarHBondContact CA-O 3.45Å; V497-K505 PolarHBondContact N-O 3.48Å; V497-K505 PolarHBondContact O-N 2.89Å; W499-K505 HydrophobicContact CB-CD 4.48Å; W499-K505 HydrophobicContact CB-CG 4.48Å; W499-K505 HydrophobicContact CD2-CD 3.75Å; W499-K505 HydrophobicContact CD2-CG 4.47Å; W499-K505 HydrophobicContact CE3-CB 4.3Å; W499-K505 HydrophobicContact CE3-CD 3.8Å; W499-K505 HydrophobicContact CE3-CG 4.31Å; W499-K505 HydrophobicContact CG-CD 4.06Å; W499-K505 HydrophobicContact CZ3-CD 4.3Å
506	N	81	Confident	81.9	Confident	8 Å²	8	71.2 Å²	71.2	4%	0.043	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	115.2	170.4	-62.8	-43.7	0	0	0	108	Y471 H490 M494 Q496	Y471-N506 PolarHBondContact N-O 3.25Å; Y471-N506 PolarHBondContact O-N 2.95Å; H490-N506 HydrophobicContact CB-CB 3.9Å; H490-N506 WeakPolarHBondContact CB-ND2 3.49Å; M494-N506 HydrophobicContact CB-CB 4.16Å; M494-N506 HydrophobicContact SD-CB 3.97Å; Q496-N506 VanDerWaalsContact CG-OD1 3.24Å; Q496-N506 WeakPolarHBondContact CG-OD1 3.33Å
507	V	82.2	Confident	82.3	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	124.7	-175.9	-175.4	0	0	0	0	109.5	L466 N469 A470 M494 V495 V497 W499 V509	L466-V507 HydrophobicContact CB-CG1 4.16Å; L466-V507 HydrophobicContact CD1-CG1 4.5Å; L466-V507 HydrophobicContact CD2-CG1 3.95Å; L466-V507 HydrophobicContact CG-CG1 4.41Å; N469-V507 WeakPolarHBondContact O-CA 3.38Å; A470-V507 HydrophobicContact CB-CG2 3.96Å; M494-V507 WeakPolarHBondContact CB-O 3.39Å; V495-V507 PolarHBondContact N-O 2.79Å; V495-V507 PolarHBondContact O-N 2.84Å; V497-V507 HydrophobicContact CB-CG2 3.81Å; V497-V507 HydrophobicContact CG2-CB 4Å; V497-V507 HydrophobicContact CG2-CG2 3.65Å; W499-V507 HydrophobicContact CZ3-CG2 4.41Å; V507-V509 HydrophobicContact CB-CG2 4.45Å; V507-V509 HydrophobicContact CG1-CG2 3.99Å
508	H	83.5	Confident	82.5	Confident	89 Å²	89	67.2 Å²	67.2	41%	0.412	33%	0.332	S	S	.	.			trans	-80.2	115.7	165.7	179.2	-99.4	0	0	0	108.6	N469 M494	N469-H508 HydrophobicContact CB-CB 4.32Å; N469-H508 VanDerWaalsContact CB-O 3.32Å; N469-H508 WeakPolarHBondContact CB-O 3.42Å; N469-H508 PolarHBondContact O-N 3.26Å; M494-H508 HydrophobicContact CE-CB 4.2Å; M494-H508 HydrophobicContact CG-CB 4.36Å; M494-H508 HydrophobicContact SD-CB 4.34Å
509	V	76.9	Confident	82.8	Confident	14 Å²	14	61.5 Å²	61.5	9%	0.085	32%	0.317	C	S	.	.			trans	-103	112.3	-175.2	178.4	0	0	0	0	109.3	V495 V507 P511 L514 L758 I762	V495-V509 HydrophobicContact CB-CG2 4.39Å; V495-V509 HydrophobicContact CG2-CG2 4.31Å; V507-V509 HydrophobicContact CB-CG2 4.45Å; V507-V509 HydrophobicContact CG1-CG2 3.99Å; V509-P511 WeakPolarHBondContact O-CD 3.4Å; V509-L514 HydrophobicContact CG1-CD1 3.27Å; V509-L514 HydrophobicContact CG1-CG 4.06Å; V509-L758 HydrophobicContact CG1-CB 4.35Å; V509-L758 HydrophobicContact CG2-CB 4.42Å; V509-L758 HydrophobicContact CG2-CD2 4.44Å; V509-I762 HydrophobicContact CB-CD1 3.41Å; V509-I762 VanDerWaalsContact CB-CD1 3.41Å; V509-I762 HydrophobicContact CB-CG1 4.45Å; V509-I762 HydrophobicContact CG1-CD1 3.39Å; V509-I762 HydrophobicContact CG2-CD1 4.34Å
510	D	82	Confident	83.3	Confident	53 Å²	53	64.8 Å²	64.8	28%	0.283	33%	0.334	S	S	.	.			trans	-90	115.2	169.6	-176.9	-6.1	0	0	0	109.8	N512 E513 L514	D510-N512 PolarHBondContact O-N 3.18Å; D510-N512 WeakPolarHBondContact OD1-CB 3.24Å; D510-N512 PolarHBondContact OD1-N 3Å; D510-E513 HydrophobicContact CB-CB 4.2Å; D510-E513 HydrophobicContact CB-CG 4Å; D510-E513 PolarHBondContact O-N 3.29Å; D510-L514 PolarHBondContact O-N 3.06Å; D510-L514 VanDerWaalsContact O-N 3.13Å
511	P	82	Confident	83.8	Confident	57 Å²	57	59.1 Å²	59.1	37%	0.37	31%	0.305	S	S	.	.	H	α-helix	trans	-54.8	-32.2	176.3	-25.6	35.1	0	0	0	113.9	V509 Y515	V509-P511 WeakPolarHBondContact O-CD 3.4Å; P511-Y515 WeakPolarHBondContact O-CB 3.32Å; P511-Y515 PolarHBondContact O-N 3.15Å
512	N	84.8	Confident	84.2	Confident	115 Å²	115	57.7 Å²	57.7	62%	0.615	30%	0.3	S	S	*	.	H	α-helix	trans	-71.3	-40.4	-179.3	-68.7	-35.5	0	0	0	112.1	D510 Y515 K516	D510-N512 PolarHBondContact O-N 3.18Å; D510-N512 WeakPolarHBondContact OD1-CB 3.24Å; D510-N512 PolarHBondContact OD1-N 3Å; N512-Y515 PolarHBondContact O-N 3.08Å; N512-K516 WeakPolarHBondContact O-CG 3.5Å; N512-K516 PolarHBondContact O-N 2.75Å; N512-K516 VanDerWaalsContact O-N 3.16Å
513	E	84.3	Confident	84.8	Confident	79 Å²	79	60.9 Å²	60.9	37%	0.369	31%	0.307	S	S	.	.	H	α-helix	trans	-66.4	-40.2	175.3	-65.8	-166.8	143	0	0	111.1	M465 N469 D510 K516 Y517	M465-E513 HydrophobicContact CE-CB 3.5Å; M465-E513 VanDerWaalsContact CE-CB 3.5Å; N469-E513 PolarHBondContact ND2-OE2 3.05Å; D510-E513 HydrophobicContact CB-CB 4.2Å; D510-E513 HydrophobicContact CB-CG 4Å; D510-E513 PolarHBondContact O-N 3.29Å; E513-K516 PolarHBondContact O-N 2.89Å; E513-Y517 WeakPolarHBondContact O-CB 3.08Å; E513-Y517 PolarHBondContact O-N 2.86Å
514	L	83.9	Confident	85.3	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-65.4	-38.1	175.5	-74.4	-173.3	0	0	0	113	M465 L466 V509 D510 Y517 Q518 A755 L758 V759	M465-L514 HydrophobicContact CE-CD2 4.25Å; M465-L514 HydrophobicContact SD-CD2 3.88Å; L466-L514 HydrophobicContact CD2-CD2 4.35Å; V509-L514 HydrophobicContact CG1-CD1 3.27Å; V509-L514 HydrophobicContact CG1-CG 4.06Å; D510-L514 PolarHBondContact O-N 3.06Å; D510-L514 VanDerWaalsContact O-N 3.13Å; L514-Y517 WeakPolarHBondContact O-CB 3.44Å; L514-Y517 PolarHBondContact O-N 3.09Å; L514-Q518 WeakPolarHBondContact O-CB 3.35Å; L514-Q518 WeakPolarHBondContact O-CG 3.4Å; L514-Q518 PolarHBondContact O-N 2.96Å; L514-A755 HydrophobicContact CD2-CB 4.12Å; L514-L758 HydrophobicContact CD1-CB 4.13Å; L514-V759 HydrophobicContact CB-CG2 4.36Å; L514-V759 HydrophobicContact CD1-CG2 3.61Å
515	Y	85.3	Confident	85.6	Confident	162 Å²	162	56.6 Å²	56.6	64%	0.635	28%	0.282	S	S	*	.	H	α-helix	trans	-65.1	-41.4	176.1	-174.2	-96	0	0	0	112.2	P511 N512 Y517 Q518 T519	P511-Y515 WeakPolarHBondContact O-CB 3.32Å; P511-Y515 PolarHBondContact O-N 3.15Å; N512-Y515 PolarHBondContact O-N 3.08Å; Y515-Y517 VanDerWaalsContact C-N 3.34Å; Y515-Y517 PolarHBondContact O-N 3.29Å; Y515-Q518 PolarHBondContact O-N 3.47Å; Y515-T519 PolarHBondContact O-N 2.87Å; Y515-T519 PolarHBondContact O-OG1 3.43Å
516	K	87.9	Confident	85.8	Confident	145 Å²	145	55.9 Å²	55.9	63%	0.63	29%	0.286	S	S	*	.	H	α-helix	trans	-61.5	-43.4	172.8	-72.1	175.9	-176.9	174.5	0	111.3	N512 E513 T519 Q520	N512-K516 WeakPolarHBondContact O-CG 3.5Å; N512-K516 PolarHBondContact O-N 2.75Å; N512-K516 VanDerWaalsContact O-N 3.16Å; E513-K516 PolarHBondContact O-N 2.89Å; K516-T519 WeakPolarHBondContact O-CB 3.22Å; K516-T519 PolarHBondContact O-N 3.26Å; K516-Q520 WeakPolarHBondContact O-CG 3.22Å; K516-Q520 PolarHBondContact O-N 3.47Å; K516-Q520 VanDerWaalsContact O-N 3.08Å
517	Y	88.5	Confident	86.3	Confident	5 Å²	5	58 Å²	58	2%	0.02	30%	0.297	C	S	.	.	H	α-helix	trans	-60.8	-47.1	175.6	174.3	-106.6	0	0	0	112.3	L460 L462 M465 E513 L514 Y515 T519 Q520 I521 Y751 A755	L460-Y517 HydrophobicContact CB-CE2 4.38Å; L460-Y517 HydrophobicContact CD2-CD2 4.29Å; L460-Y517 HydrophobicContact CD2-CE2 4.24Å; L460-Y517 VanDerWaalsContact O-CE2 3.32Å; L460-Y517 WeakPolarHBondContact O-CE2 3.48Å; L460-Y517 PolarHBondContact O-OH 2.98Å; L462-Y517 HydrophobicContact CD1-CE1 3.89Å; L462-Y517 PolarHBondContact N-OH 3.24Å; M465-Y517 HydrophobicContact CB-CD2 4.2Å; M465-Y517 HydrophobicContact CB-CE2 4.26Å; M465-Y517 HydrophobicContact CG-CD2 3.93Å; M465-Y517 HydrophobicContact CG-CE2 4.47Å; M465-Y517 HydrophobicContact CG-CG 4.14Å; E513-Y517 WeakPolarHBondContact O-CB 3.08Å; E513-Y517 PolarHBondContact O-N 2.86Å; L514-Y517 WeakPolarHBondContact O-CB 3.44Å; L514-Y517 PolarHBondContact O-N 3.09Å; Y515-Y517 VanDerWaalsContact C-N 3.34Å; Y515-Y517 PolarHBondContact O-N 3.29Å; Y517-T519 VanDerWaalsContact C-N 3.26Å; Y517-T519 PolarHBondContact O-N 3.25Å; Y517-Q520 WeakPolarHBondContact O-CB 3.1Å; Y517-Q520 PolarHBondContact O-N 2.9Å; Y517-I521 HydrophobicContact CD1-CG1 4.37Å; Y517-I521 HydrophobicContact CD2-CG1 4.39Å; Y517-I521 HydrophobicContact CE1-CD1 4.49Å; Y517-I521 HydrophobicContact CE1-CG1 3.9Å; Y517-I521 HydrophobicContact CE2-CD1 4.02Å; Y517-I521 HydrophobicContact CE2-CG1 3.92Å; Y517-I521 WeakPolarHBondContact O-CG1 3.18Å; Y517-I521 PolarHBondContact O-N 2.97Å; Y517-Y751 WeakPolarHBondContact OH-CB 3.41Å; Y517-A755 HydrophobicContact CD1-CB 4.3Å; Y517-A755 HydrophobicContact CE1-CB 4.36Å
518	Q	85.5	Confident	86.6	Confident	38 Å²	38	58 Å²	58	18%	0.178	30%	0.297	C	S	.	.	H	α-helix	trans	-59.2	-36.6	176.2	-76.3	175.9	-6.4	0	0	112.6	L514 Y515 I521 T522 A755 Q756	L514-Q518 WeakPolarHBondContact O-CB 3.35Å; L514-Q518 WeakPolarHBondContact O-CG 3.4Å; L514-Q518 PolarHBondContact O-N 2.96Å; Y515-Q518 PolarHBondContact O-N 3.47Å; Q518-I521 PolarHBondContact O-N 3.32Å; Q518-T522 WeakPolarHBondContact O-CB 3.13Å; Q518-T522 PolarHBondContact O-N 3.48Å; Q518-T522 PolarHBondContact O-OG1 3.4Å; Q518-A755 HydrophobicContact CG-CB 4.47Å; Q518-Q756 VanDerWaalsContact NE2-CG 3.33Å
519	T	88.8	Confident	86.8	Confident	61 Å²	61	57.2 Å²	57.2	37%	0.374	29%	0.294	S	S	.	.	H	α-helix	trans	-65.6	-42.1	174.5	-55	0	0	0	0	111.3	Y515 K516 Y517 T522 N523	Y515-T519 PolarHBondContact O-N 2.87Å; Y515-T519 PolarHBondContact O-OG1 3.43Å; K516-T519 WeakPolarHBondContact O-CB 3.22Å; K516-T519 PolarHBondContact O-N 3.26Å; Y517-T519 VanDerWaalsContact C-N 3.26Å; Y517-T519 PolarHBondContact O-N 3.25Å; T519-T522 PolarHBondContact O-N 3.21Å; T519-N523 PolarHBondContact O-N 3.43Å; T519-N523 PolarHBondContact O-ND2 2.95Å
520	Q	91	Very high	87.3	Confident	102 Å²	102	64 Å²	64	48%	0.477	32%	0.322	S	S	.	.	H	α-helix	trans	-64.7	-41	176.7	-69.8	173.5	-14.6	0	0	112.4	L460 K516 Y517 N523 L524	L460-Q520 HydrophobicContact CD1-CB 4.43Å; L460-Q520 HydrophobicContact CD2-CB 3.81Å; L460-Q520 VanDerWaalsContact CD2-OE1 3.25Å; K516-Q520 WeakPolarHBondContact O-CG 3.22Å; K516-Q520 PolarHBondContact O-N 3.47Å; K516-Q520 VanDerWaalsContact O-N 3.08Å; Y517-Q520 WeakPolarHBondContact O-CB 3.1Å; Y517-Q520 PolarHBondContact O-N 2.9Å; Q520-N523 PolarHBondContact O-N 3.33Å; Q520-L524 PolarHBondContact O-N 2.81Å
521	I	90.4	Very high	87.7	Confident	3 Å²	3	62.4 Å²	62.4	2%	0.015	31%	0.312	C	S	.	.	H	α-helix	trans	-62.8	-47.9	174.9	-68.9	-66.8	0	0	0	110.9	L455 L460 Y517 Q518 N523 L524 V525 A748	L455-I521 HydrophobicContact CD2-CD1 3.56Å; L460-I521 HydrophobicContact CB-CD1 4.03Å; Y517-I521 HydrophobicContact CD1-CG1 4.37Å; Y517-I521 HydrophobicContact CD2-CG1 4.39Å; Y517-I521 HydrophobicContact CE1-CD1 4.49Å; Y517-I521 HydrophobicContact CE1-CG1 3.9Å; Y517-I521 HydrophobicContact CE2-CD1 4.02Å; Y517-I521 HydrophobicContact CE2-CG1 3.92Å; Y517-I521 WeakPolarHBondContact O-CG1 3.18Å; Y517-I521 PolarHBondContact O-N 2.97Å; Q518-I521 PolarHBondContact O-N 3.32Å; I521-N523 VanDerWaalsContact C-N 3.31Å; I521-N523 PolarHBondContact O-N 3.07Å; I521-L524 WeakPolarHBondContact O-CB 3.28Å; I521-L524 PolarHBondContact O-N 2.86Å; I521-V525 HydrophobicContact CG2-CG2 4.49Å; I521-V525 WeakPolarHBondContact O-CG2 3.33Å; I521-V525 PolarHBondContact O-N 3.06Å; I521-A748 HydrophobicContact CG2-CB 4.15Å
522	T	87.9	Confident	87.8	Confident	83 Å²	83	61.1 Å²	61.1	51%	0.509	30%	0.301	S	S	.	.	H	α-helix	trans	-57.1	-44.3	177.2	-55.6	0	0	0	0	111.9	Q518 T519 L524 V525 G526	Q518-T522 WeakPolarHBondContact O-CB 3.13Å; Q518-T522 PolarHBondContact O-N 3.48Å; Q518-T522 PolarHBondContact O-OG1 3.4Å; T519-T522 PolarHBondContact O-N 3.21Å; T522-L524 VanDerWaalsContact C-N 3.32Å; T522-L524 PolarHBondContact O-N 2.8Å; T522-V525 PolarHBondContact O-N 3.23Å; T522-G526 PolarHBondContact O-N 2.91Å
523	N	90.2	Very high	87.7	Confident	109 Å²	109	61.1 Å²	61.1	58%	0.583	30%	0.298	S	S	*	.	H	α-helix	trans	-64.8	-34.2	176.8	-74	-26.7	0	0	0	113.1	T519 Q520 I521 L527	T519-N523 PolarHBondContact O-N 3.43Å; T519-N523 PolarHBondContact O-ND2 2.95Å; Q520-N523 PolarHBondContact O-N 3.33Å; I521-N523 VanDerWaalsContact C-N 3.31Å; I521-N523 PolarHBondContact O-N 3.07Å; N523-L527 PolarHBondContact O-N 3.15Å
524	L	90.4	Very high	87.8	Confident	0 Å²	0	60 Å²	60	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-68.2	-46.2	174.7	175.2	61.6	0	0	0	111.2	H453 L455 L460 Q520 I521 T522 G526 L527 L528	H453-L524 WeakPolarHBondContact O-CD1 3.46Å; L455-L524 HydrophobicContact CD2-CD2 3.45Å; L455-L524 VanDerWaalsContact CD2-CD2 3.45Å; L455-L524 HydrophobicContact CG-CD2 3.76Å; L460-L524 HydrophobicContact CD1-CB 4.42Å; L460-L524 HydrophobicContact CD1-CD2 4.02Å; Q520-L524 PolarHBondContact O-N 2.81Å; I521-L524 WeakPolarHBondContact O-CB 3.28Å; I521-L524 PolarHBondContact O-N 2.86Å; T522-L524 VanDerWaalsContact C-N 3.32Å; T522-L524 PolarHBondContact O-N 2.8Å; L524-G526 VanDerWaalsContact C-N 3.3Å; L524-G526 PolarHBondContact O-N 2.95Å; L524-L527 WeakPolarHBondContact O-CA 3.41Å; L524-L527 WeakPolarHBondContact O-CB 3.41Å; L524-L527 PolarHBondContact O-N 3.15Å; L524-L528 HydrophobicContact CD1-CD1 4.31Å; L524-L528 HydrophobicContact CD1-CG 4.26Å; L524-L528 HydrophobicContact CG-CD1 4.03Å; L524-L528 HydrophobicContact CG-CG 4.44Å; L524-L528 WeakPolarHBondContact O-CG 3.46Å; L524-L528 PolarHBondContact O-N 3.26Å
525	V	89.3	Confident	87.8	Confident	24 Å²	24	60.1 Å²	60.1	15%	0.145	29%	0.291	C	S	.	.	H	α-helix	trans	-56.2	-46.9	176.7	173.9	0	0	0	0	110.4	I521 T522 L527 L528 E529 I745 A748	I521-V525 HydrophobicContact CG2-CG2 4.49Å; I521-V525 WeakPolarHBondContact O-CG2 3.33Å; I521-V525 PolarHBondContact O-N 3.06Å; T522-V525 PolarHBondContact O-N 3.23Å; V525-L527 VanDerWaalsContact C-N 3.25Å; V525-L527 PolarHBondContact O-N 3.22Å; V525-L528 WeakPolarHBondContact O-CB 3.31Å; V525-L528 PolarHBondContact O-N 3.38Å; V525-L528 VanDerWaalsContact O-N 3.1Å; V525-E529 HydrophobicContact CG1-CG 4.41Å; V525-E529 WeakPolarHBondContact O-CG 3.47Å; V525-E529 PolarHBondContact O-N 3.35Å; V525-I745 HydrophobicContact CG1-CG2 4.21Å; V525-A748 HydrophobicContact CG2-CB 4.01Å
526	G	86.5	Confident	87.6	Confident	24 Å²	24	55.5 Å²	55.5	25%	0.247	28%	0.28	C	S	.	.	H	α-helix	trans	-63	-26.2	176.1	0	0	0	0	0	114.7	T522 L524 K530	T522-G526 PolarHBondContact O-N 2.91Å; L524-G526 VanDerWaalsContact C-N 3.3Å; L524-G526 PolarHBondContact O-N 2.95Å; G526-K530 VanDerWaalsContact O-CG 3.29Å; G526-K530 WeakPolarHBondContact O-CG 3.47Å; G526-K530 PolarHBondContact O-N 3.37Å
527	L	91	Very high	87.2	Confident	52 Å²	52	52.3 Å²	52.3	27%	0.272	27%	0.267	S	S	.	.	H	α-helix	trans	-74.8	-41.1	172.4	-176.5	71.6	0	0	0	111.5	W449 H453 N523 L524 V525 K530 R531	W449-L527 HydrophobicContact CH2-CD2 3.81Å; W449-L527 HydrophobicContact CH2-CG 3.82Å; W449-L527 HydrophobicContact CZ2-CD2 4.11Å; W449-L527 HydrophobicContact CZ2-CG 4.13Å; H453-L527 HydrophobicContact CB-CD2 4.28Å; N523-L527 PolarHBondContact O-N 3.15Å; L524-L527 WeakPolarHBondContact O-CA 3.41Å; L524-L527 WeakPolarHBondContact O-CB 3.41Å; L524-L527 PolarHBondContact O-N 3.15Å; V525-L527 VanDerWaalsContact C-N 3.25Å; V525-L527 PolarHBondContact O-N 3.22Å; L527-K530 PolarHBondContact O-N 3.2Å; L527-R531 PolarHBondContact O-N 2.99Å; L527-R531 VanDerWaalsContact O-N 3.08Å
528	L	89.2	Confident	86.8	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.5	-43.6	176.8	-66.9	168	0	0	0	111.1	W449 L450 L524 V525 K530 R531 I532 L741 E744 I745	W449-L528 HydrophobicContact CH2-CD2 4.34Å; W449-L528 HydrophobicContact CZ3-CD2 3.69Å; L450-L528 HydrophobicContact CD2-CD2 3.55Å; L524-L528 HydrophobicContact CD1-CD1 4.31Å; L524-L528 HydrophobicContact CD1-CG 4.26Å; L524-L528 HydrophobicContact CG-CD1 4.03Å; L524-L528 HydrophobicContact CG-CG 4.44Å; L524-L528 WeakPolarHBondContact O-CG 3.46Å; L524-L528 PolarHBondContact O-N 3.26Å; V525-L528 WeakPolarHBondContact O-CB 3.31Å; V525-L528 PolarHBondContact O-N 3.38Å; V525-L528 VanDerWaalsContact O-N 3.1Å; L528-K530 PolarHBondContact O-N 2.96Å; L528-R531 WeakPolarHBondContact O-CA 3.44Å; L528-R531 WeakPolarHBondContact O-CB 3.29Å; L528-R531 PolarHBondContact O-N 3.45Å; L528-R531 VanDerWaalsContact O-N 3.07Å; L528-I532 WeakPolarHBondContact O-CG1 3.45Å; L528-I532 PolarHBondContact O-N 3.03Å; L528-L741 HydrophobicContact CD2-CD2 3.8Å; L528-E744 HydrophobicContact CD1-CB 4.32Å; L528-E744 HydrophobicContact CD1-CG 4Å; L528-I745 HydrophobicContact CB-CD1 3.83Å; L528-I745 HydrophobicContact CB-CG1 3.73Å; L528-I745 HydrophobicContact CD1-CG1 3.63Å; L528-I745 HydrophobicContact CG-CG1 4.29Å
529	E	87.4	Confident	86.8	Confident	74 Å²	74	56 Å²	56	35%	0.346	28%	0.282	S	S	.	.	H	α-helix	trans	-60.3	-42.2	175.3	-71.3	178	152.7	0	0	112.5	V525 R531 I532 H533 I745	V525-E529 HydrophobicContact CG1-CG 4.41Å; V525-E529 WeakPolarHBondContact O-CG 3.47Å; V525-E529 PolarHBondContact O-N 3.35Å; E529-R531 VanDerWaalsContact C-N 3.28Å; E529-R531 PolarHBondContact O-N 2.87Å; E529-I532 PolarHBondContact O-N 3.03Å; E529-H533 PolarHBondContact O-N 3.43Å; E529-I745 HydrophobicContact CG-CD1 4.36Å
530	K	87.6	Confident	86.7	Confident	156 Å²	156	55.6 Å²	55.6	68%	0.678	27%	0.274	S	S	*	.	H	α-helix	trans	-61.6	-37.5	173.7	-75.1	173.7	-176.5	179.9	0	112	G526 L527 L528 H533 W534	G526-K530 VanDerWaalsContact O-CG 3.29Å; G526-K530 WeakPolarHBondContact O-CG 3.47Å; G526-K530 PolarHBondContact O-N 3.37Å; L527-K530 PolarHBondContact O-N 3.2Å; L528-K530 PolarHBondContact O-N 2.96Å; K530-H533 PolarHBondContact O-N 3.46Å; K530-W534 PolarHBondContact O-N 2.96Å
531	R	89.4	Confident	86.3	Confident	19 Å²	19	51 Å²	51	7%	0.072	25%	0.254	C	S	.	.	H	α-helix	trans	-66.8	-41.8	175.5	-176.7	63.8	175.9	-179.7	0.5	111.4	T444 W449 L527 L528 E529 W534 L535 L741	T444-R531 PolarHBondContact O-NH2 2.83Å; W449-R531 HydrophobicContact CD2-CG 4.28Å; W449-R531 HydrophobicContact CE3-CG 4.3Å; W449-R531 HydrophobicContact CH2-CB 4.19Å; W449-R531 HydrophobicContact CH2-CG 4.42Å; W449-R531 HydrophobicContact CZ2-CB 4.34Å; W449-R531 HydrophobicContact CZ2-CG 4.4Å; W449-R531 HydrophobicContact CZ3-CB 4.48Å; W449-R531 HydrophobicContact CZ3-CG 4.39Å; L527-R531 PolarHBondContact O-N 2.99Å; L527-R531 VanDerWaalsContact O-N 3.08Å; L528-R531 WeakPolarHBondContact O-CA 3.44Å; L528-R531 WeakPolarHBondContact O-CB 3.29Å; L528-R531 PolarHBondContact O-N 3.45Å; L528-R531 VanDerWaalsContact O-N 3.07Å; E529-R531 VanDerWaalsContact C-N 3.28Å; E529-R531 PolarHBondContact O-N 2.87Å; R531-W534 WeakPolarHBondContact O-CB 3.46Å; R531-W534 PolarHBondContact O-N 3.1Å; R531-L535 WeakPolarHBondContact O-CG 3.26Å; R531-L535 PolarHBondContact O-N 3.28Å; R531-L535 VanDerWaalsContact O-N 3.07Å; R531-L741 HydrophobicContact CB-CD1 4.26Å; R531-L741 HydrophobicContact CG-CD1 3.7Å; R531-L741 HydrophobicContact CG-CD2 4.3Å
532	I	85.3	Confident	86.1	Confident	30 Å²	30	51.8 Å²	51.8	15%	0.154	26%	0.257	C	S	.	.	H	α-helix	trans	-61	-47.1	173.8	-67.2	171.9	0	0	0	110.4	L528 E529 W534 L535 T536 V738 L741 L742 I745	L528-I532 WeakPolarHBondContact O-CG1 3.45Å; L528-I532 PolarHBondContact O-N 3.03Å; E529-I532 PolarHBondContact O-N 3.03Å; I532-W534 VanDerWaalsContact C-N 3.27Å; I532-W534 PolarHBondContact O-N 2.91Å; I532-L535 WeakPolarHBondContact O-CB 3.46Å; I532-L535 PolarHBondContact O-N 3.33Å; I532-T536 PolarHBondContact O-N 2.82Å; I532-T536 PolarHBondContact O-OG1 3.35Å; I532-V738 HydrophobicContact CG1-CG1 4.48Å; I532-V738 HydrophobicContact CG2-CG1 4.14Å; I532-L741 HydrophobicContact CD1-CB 4.04Å; I532-L741 HydrophobicContact CG1-CB 3.9Å; I532-L741 HydrophobicContact CG1-CD1 3.75Å; I532-L741 HydrophobicContact CG1-CG 4.49Å; I532-L742 HydrophobicContact CD1-CD2 3.85Å; I532-L742 HydrophobicContact CD1-CG 4.24Å; I532-I745 HydrophobicContact CD1-CD1 3.82Å
533	H	83.1	Confident	86.1	Confident	116 Å²	116	47.9 Å²	47.9	54%	0.537	23%	0.233	S	C	.	.	H	α-helix	trans	-59	-38.7	177.5	-177.2	70.2	0	0	0	112.5	E529 K530 L535 T536 Q537	E529-H533 PolarHBondContact O-N 3.43Å; K530-H533 PolarHBondContact O-N 3.46Å; H533-L535 VanDerWaalsContact C-N 3.35Å; H533-T536 WeakPolarHBondContact CA-OG1 3.49Å; H533-T536 PolarHBondContact O-N 3.11Å; H533-T536 PolarHBondContact O-OG1 3.35Å; H533-Q537 PolarHBondContact CD2-NE2 2.74Å; H533-Q537 VanDerWaalsContact CD2-NE2 3.29Å; H533-Q537 PolarHBondContact NE2-NE2 2.86Å; H533-Q537 WeakPolarHBondContact O-CG 3.04Å
534	W	84.8	Confident	86	Confident	56 Å²	56	42.8 Å²	42.8	21%	0.212	21%	0.206	C	C	.	.	H	α-helix	trans	-65.3	-36	174.5	179.4	76.7	0	0	0	112.9	F441 P443 K530 R531 I532 T536 Q537 R540 T545	F441-W534 HydrophobicContact CE1-CH2 4.18Å; F441-W534 AromaticContact CE1-CZ2 3.78Å; F441-W534 HydrophobicContact CE1-CZ2 3.78Å; F441-W534 HydrophobicContact CZ-CZ2 4.21Å; P443-W534 HydrophobicContact CB-CH2 4.45Å; K530-W534 PolarHBondContact O-N 2.96Å; R531-W534 WeakPolarHBondContact O-CB 3.46Å; R531-W534 PolarHBondContact O-N 3.1Å; I532-W534 VanDerWaalsContact C-N 3.27Å; I532-W534 PolarHBondContact O-N 2.91Å; W534-T536 VanDerWaalsContact C-N 3.33Å; W534-Q537 PolarHBondContact O-N 2.81Å; W534-R540 VanDerWaalsContact CZ2-NE 3.32Å; W534-T545 HydrophobicContact CH2-CG2 4.12Å; W534-T545 HydrophobicContact CZ3-CG2 4.48Å; W534-T545 WeakPolarHBondContact CZ3-OG1 3.37Å
535	L	85.4	Confident	85.9	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.016	21%	0.206	C	C	.	.	H	α-helix	trans	-71.3	-25.6	175.6	-70.6	169.8	0	0	0	112.9	S446 R531 I532 H533 Q537 R540 G541 T545 D737 V738 L741	S446-L535 WeakPolarHBondContact OG-CD1 3.42Å; R531-L535 WeakPolarHBondContact O-CG 3.26Å; R531-L535 PolarHBondContact O-N 3.28Å; R531-L535 VanDerWaalsContact O-N 3.07Å; I532-L535 WeakPolarHBondContact O-CB 3.46Å; I532-L535 PolarHBondContact O-N 3.33Å; H533-L535 VanDerWaalsContact C-N 3.35Å; L535-Q537 VanDerWaalsContact C-N 3.31Å; L535-R540 CarbonylContact O-C 3.58Å; L535-R540 WeakPolarHBondContact O-CB 3.4Å; L535-R540 VanDerWaalsContact O-O 3.13Å; L535-G541 WeakPolarHBondContact O-CA 3.48Å; L535-G541 PolarHBondContact O-N 3.04Å; L535-G541 VanDerWaalsContact O-N 3.13Å; L535-T545 VanDerWaalsContact CD2-OG1 3.25Å; L535-T545 WeakPolarHBondContact CD2-OG1 3.45Å; L535-D737 HydrophobicContact CD1-CB 4.14Å; L535-V738 HydrophobicContact CB-CG2 4.42Å; L535-V738 HydrophobicContact CD1-CG2 4.32Å; L535-L741 HydrophobicContact CD1-CD1 3.57Å
536	T	80.9	Confident	86	Confident	66 Å²	66	41.7 Å²	41.7	41%	0.405	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-4.5	178.3	53.6	0	0	0	0	114	I532 H533 W534 I732	I532-T536 PolarHBondContact O-N 2.82Å; I532-T536 PolarHBondContact O-OG1 3.35Å; H533-T536 WeakPolarHBondContact CA-OG1 3.49Å; H533-T536 PolarHBondContact O-N 3.11Å; H533-T536 PolarHBondContact O-OG1 3.35Å; W534-T536 VanDerWaalsContact C-N 3.33Å; T536-I732 HydrophobicContact CG2-CD1 3.85Å; T536-I732 HydrophobicContact CG2-CG1 4.49Å
537	Q	79.1	Confident	86.1	Confident	78 Å²	78	43.3 Å²	43.3	36%	0.364	20%	0.202	S	C	.	.	S	Bend	trans	-87.5	128.1	-177	-74.8	177.9	4.9	0	0	112.5	H533 W534 L535 R540	H533-Q537 PolarHBondContact CD2-NE2 2.74Å; H533-Q537 VanDerWaalsContact CD2-NE2 3.29Å; H533-Q537 PolarHBondContact NE2-NE2 2.86Å; H533-Q537 WeakPolarHBondContact O-CG 3.04Å; W534-Q537 PolarHBondContact O-N 2.81Å; L535-Q537 VanDerWaalsContact C-N 3.31Å; Q537-R540 WeakPolarHBondContact O-CB 3.46Å; Q537-R540 PolarHBondContact O-N 3.45Å
538	K	79	Confident	86	Confident	120 Å²	120	41.4 Å²	41.4	52%	0.522	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	-133.9	169.1	-50.9	-165.7	-175.7	-174.3	0	112.7	R540 G541 Y542 E578	K538-R540 PolarHBondContact O-N 3.26Å; K538-R540 VanDerWaalsContact O-N 3.09Å; K538-G541 PolarHBondContact O-N 3.12Å; K538-Y542 VanDerWaalsContact O-CE2 3.3Å; K538-Y542 WeakPolarHBondContact O-CE2 3.46Å; K538-E578 WeakPolarHBondContact CB-OE2 3.39Å; K538-E578 WeakPolarHBondContact CD-OE1 3.3Å; K538-E578 WeakPolarHBondContact CD-OE2 3.39Å; K538-E578 IonicContact NZ-OE1 3.06Å
539	S	86.6	Confident	85.9	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.5	-175.6	70.2	0	0	0	0	114.1	G541 Y542 F543 E578 Q579	S539-G541 PolarHBondContact O-N 3.29Å; S539-Y542 PolarHBondContact O-N 2.99Å; S539-F543 PolarHBondContact O-N 2.72Å; S539-F543 VanDerWaalsContact O-N 3.13Å; S539-E578 PolarHBondContact OG-OE2 2.92Å; S539-Q579 WeakPolarHBondContact OG-CG 3.31Å; S539-Q579 PolarHBondContact OG-NE2 2.99Å
540	R	87.6	Confident	86.1	Confident	52 Å²	52	40.6 Å²	40.6	20%	0.196	19%	0.193	C	C	.	.	H	α-helix	trans	-68.5	-27.5	179.2	-59.7	173.5	-169	79.1	9	111.9	W534 L535 Q537 K538 Y542 G544	W534-R540 VanDerWaalsContact CZ2-NE 3.32Å; L535-R540 CarbonylContact O-C 3.58Å; L535-R540 WeakPolarHBondContact O-CB 3.4Å; L535-R540 VanDerWaalsContact O-O 3.13Å; Q537-R540 WeakPolarHBondContact O-CB 3.46Å; Q537-R540 PolarHBondContact O-N 3.45Å; K538-R540 PolarHBondContact O-N 3.26Å; K538-R540 VanDerWaalsContact O-N 3.09Å; R540-Y542 PolarHBondContact O-N 3.36Å; R540-G544 WeakPolarHBondContact CA-O 3.31Å; R540-G544 WeakPolarHBondContact O-CA 3.31Å; R540-G544 PolarHBondContact O-N 2.81Å; R540-G544 VanDerWaalsContact O-N 3.08Å
541	G	82.3	Confident	86.3	Confident	6 Å²	6	33.2 Å²	33.2	6%	0.062	16%	0.16	C	C	.	.	H	α-helix	trans	-66.4	-22.9	177	0	0	0	0	0	113.1	L535 K538 S539 I732	L535-G541 WeakPolarHBondContact O-CA 3.48Å; L535-G541 PolarHBondContact O-N 3.04Å; L535-G541 VanDerWaalsContact O-N 3.13Å; K538-G541 PolarHBondContact O-N 3.12Å; S539-G541 PolarHBondContact O-N 3.29Å; G541-I732 VanDerWaalsContact O-CG1 3.29Å; G541-I732 WeakPolarHBondContact O-CG1 3.39Å
542	Y	85.9	Confident	86.5	Confident	20 Å²	20	32.3 Å²	32.3	8%	0.078	16%	0.157	C	C	.	.	H	α-helix	trans	-106.3	-50.7	-173.4	-43	-46.5	0	0	0	111.8	L412 K538 S539 R540 Y570 C571 H725 F727	L412-Y542 HydrophobicContact CD2-CE1 3.69Å; L412-Y542 WeakPolarHBondContact CD2-OH 3.39Å; K538-Y542 VanDerWaalsContact O-CE2 3.3Å; K538-Y542 WeakPolarHBondContact O-CE2 3.46Å; S539-Y542 PolarHBondContact O-N 2.99Å; R540-Y542 PolarHBondContact O-N 3.36Å; Y542-Y570 HydrophobicContact CE2-CE1 4.36Å; Y542-C571 HydrophobicContact CD2-CB 4.34Å; Y542-H725 WeakPolarHBondContact O-CB 3.3Å; Y542-F727 AromaticContact CD1-CD2 3.42Å; Y542-F727 HydrophobicContact CD1-CD2 3.42Å; Y542-F727 VanDerWaalsContact CD1-CD2 3.42Å; Y542-F727 AromaticContact CD1-CE2 3.44Å; Y542-F727 HydrophobicContact CD1-CE2 3.44Å; Y542-F727 VanDerWaalsContact CD1-CE2 3.44Å; Y542-F727 AromaticContact CD1-CG 3.96Å; Y542-F727 HydrophobicContact CD1-CG 3.96Å; Y542-F727 HydrophobicContact CD1-CZ 4.03Å; Y542-F727 HydrophobicContact CE1-CD2 4.17Å; Y542-F727 HydrophobicContact CE1-CE2 4.27Å; Y542-F727 HydrophobicContact CG-CD2 4.21Å; Y542-F727 AromaticContact CG-CE2 3.84Å; Y542-F727 HydrophobicContact CG-CE2 3.84Å; Y542-F727 AromaticContact CG-CZ 4Å; Y542-F727 HydrophobicContact CG-CZ 4Å
543	F	88.2	Confident	86.9	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-98.7	-2.5	-175.1	-71.4	-91.3	0	0	0	113.7	S539 L546 I553 C571 L575 Y652 F654 A685 H725	S539-F543 PolarHBondContact O-N 2.72Å; S539-F543 VanDerWaalsContact O-N 3.13Å; F543-L546 HydrophobicContact CB-CD1 4Å; F543-I553 HydrophobicContact CE1-CG2 4.39Å; F543-C571 HydrophobicContact CE2-CB 4.11Å; F543-L575 HydrophobicContact CB-CD1 4.01Å; F543-L575 HydrophobicContact CB-CD2 4.5Å; F543-L575 HydrophobicContact CD1-CD2 3.66Å; F543-L575 HydrophobicContact CD2-CB 4.32Å; F543-L575 HydrophobicContact CD2-CD1 4Å; F543-L575 HydrophobicContact CD2-CD2 3.71Å; F543-L575 HydrophobicContact CD2-CG 4.25Å; F543-L575 HydrophobicContact CE1-CD2 3.62Å; F543-L575 HydrophobicContact CE2-CB 4.27Å; F543-L575 HydrophobicContact CE2-CD2 3.69Å; F543-L575 HydrophobicContact CE2-CG 4.45Å; F543-L575 HydrophobicContact CG-CD1 3.99Å; F543-L575 HydrophobicContact CG-CD2 3.7Å; F543-L575 HydrophobicContact CG-CG 4.44Å; F543-L575 HydrophobicContact CZ-CD2 3.65Å; F543-Y652 HydrophobicContact CD1-CD1 4.48Å; F543-F654 HydrophobicContact CE1-CB 3.79Å; F543-F654 HydrophobicContact CE1-CD2 4.3Å; F543-F654 AromaticContact CE1-CG 3.97Å; F543-F654 HydrophobicContact CE1-CG 3.97Å; F543-F654 HydrophobicContact CZ-CB 3.98Å; F543-F654 AromaticContact CZ-CD1 3.87Å; F543-F654 HydrophobicContact CZ-CD1 3.87Å; F543-F654 HydrophobicContact CZ-CD2 4.03Å; F543-F654 HydrophobicContact CZ-CE1 4.38Å; F543-F654 AromaticContact CZ-CG 3.69Å; F543-F654 HydrophobicContact CZ-CG 3.69Å; F543-A685 HydrophobicContact CD1-CB 4.13Å; F543-A685 HydrophobicContact CE1-CB 4.39Å; F543-H725 PolarHBondContact O-CD2 3.29Å
544	G	87	Confident	87.5	Confident	2 Å²	2	25.3 Å²	25.3	2%	0.021	12%	0.124	C	C	.	.			trans	66	-164.3	-164	0	0	0	0	0	111.7	R540 Q579	R540-G544 WeakPolarHBondContact CA-O 3.31Å; R540-G544 WeakPolarHBondContact O-CA 3.31Å; R540-G544 PolarHBondContact O-N 2.81Å; R540-G544 VanDerWaalsContact O-N 3.08Å; G544-Q579 PolarHBondContact O-NE2 3Å; G544-Q579 PolarHBondContact O-OE1 3.05Å
545	T	89.1	Confident	88	Confident	1 Å²	1	22.7 Å²	22.7	1%	0.006	11%	0.114	C	C	.	.			trans	-89.2	120.6	178.5	-61.4	0	0	0	0	110.1	P443 W534 L535 I547 R723	P443-T545 HydrophobicContact CB-CG2 3.34Å; P443-T545 HydrophobicContact CG-CG2 4.05Å; W534-T545 HydrophobicContact CH2-CG2 4.12Å; W534-T545 HydrophobicContact CZ3-CG2 4.48Å; W534-T545 WeakPolarHBondContact CZ3-OG1 3.37Å; L535-T545 VanDerWaalsContact CD2-OG1 3.25Å; L535-T545 WeakPolarHBondContact CD2-OG1 3.45Å; T545-I547 HydrophobicContact CG2-CG1 4.5Å; T545-I547 PolarHBondContact O-N 2.72Å; T545-R723 VanDerWaalsContact O-CZ 3.27Å; T545-R723 PolarHBondContact O-NH1 2.82Å; T545-R723 PolarHBondContact O-NH2 3.48Å
546	L	90.9	Very high	88.3	Confident	1 Å²	1	22.6 Å²	22.6	1%	0.005	11%	0.113	C	C	.	.			trans	-73.5	124.7	175.6	-84.1	55.9	0	0	0	109.8	F543 V551 L575 Q579 I580 K583 Y652	F543-L546 HydrophobicContact CB-CD1 4Å; L546-V551 HydrophobicContact CD2-CG1 3.92Å; L546-V551 HydrophobicContact CD2-CG2 4.31Å; L546-L575 HydrophobicContact CD1-CD1 3.73Å; L546-L575 HydrophobicContact CD2-CD1 3.86Å; L546-L575 HydrophobicContact CD2-CG 4.42Å; L546-L575 HydrophobicContact CG-CD1 4.47Å; L546-Q579 HydrophobicContact CB-CB 4.36Å; L546-Q579 HydrophobicContact CD2-CB 4.04Å; L546-I580 HydrophobicContact CD2-CG1 4.14Å; L546-K583 WeakPolarHBondContact O-CE 3.38Å; L546-K583 PolarHBondContact O-NZ 2.96Å; L546-Y652 WeakPolarHBondContact CA-OH 3.48Å; L546-Y652 HydrophobicContact CD1-CD1 3.96Å; L546-Y652 HydrophobicContact CD1-CE1 3.54Å; L546-Y652 HydrophobicContact CG-CD1 4.31Å; L546-Y652 HydrophobicContact CG-CD2 4.43Å; L546-Y652 HydrophobicContact CG-CE1 3.77Å; L546-Y652 HydrophobicContact CG-CE2 3.92Å
547	I	88.2	Confident	88.8	Confident	57 Å²	57	19.8 Å²	19.8	29%	0.292	10%	0.096	S	C	.	.			trans	-110.5	-41.7	-172.1	-62	156.3	0	0	0	111.3	S445 T545 K583	S445-I547 VanDerWaalsContact CB-CD1 3.42Å; T545-I547 HydrophobicContact CG2-CG1 4.5Å; T545-I547 PolarHBondContact O-N 2.72Å; I547-K583 PolarHBondContact O-NZ 3.42Å; I547-K583 VanDerWaalsContact O-NZ 3.14Å
548	E	89.1	Confident	89.3	Confident	13 Å²	13	16 Å²	16	6%	0.061	8%	0.079	C	C	.	.	S	Bend	trans	-63.6	144.1	-173.4	-55.3	71.8	-142.9	0	0	110.5	N550 K583 Y652 H683	E548-N550 VanDerWaalsContact C-N 3.34Å; E548-K583 VanDerWaalsContact O-CD 3.3Å; E548-K583 WeakPolarHBondContact O-CD 3.22Å; E548-K583 WeakPolarHBondContact O-CE 3.49Å; E548-K583 PolarHBondContact O-NZ 3.31Å; E548-Y652 WeakPolarHBondContact OE2-CE2 3.45Å; E548-Y652 PolarHBondContact OE2-OH 3.04Å; E548-H683 IonicContact OE1-CE1 3.71Å; E548-H683 IonicContact OE1-NE2 3.97Å; E548-H683 PolarHBondContact OE1-NE2 3Å; E548-H683 IonicContact OE2-NE2 3.98Å
549	P	87.8	Confident	89.5	Confident	52 Å²	52	16.4 Å²	16.4	34%	0.338	8%	0.082	S	C	.	.	S	Bend	trans	-70.5	-30.9	179.5	27.8	-34.4	0	0	0	112.5	S584 K585 H648	P549-S584 PolarHBondContact O-N 3.03Å; P549-K585 PolarHBondContact O-N 2.89Å; P549-H648 WeakPolarHBondContact CD-O 3.36Å; P549-H648 HydrophobicContact CG-CB 4.31Å; P549-H648 WeakPolarHBondContact CG-O 3.44Å
550	N	90.4	Very high	89.2	Confident	5 Å²	5	21.6 Å²	21.6	3%	0.027	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	132.5	174.7	-59	-22.5	0	0	0	109.6	E548 K585 L602 S647 H648 L649 G650	E548-N550 VanDerWaalsContact C-N 3.34Å; N550-K585 VanDerWaalsContact CA-O 3.28Å; N550-K585 WeakPolarHBondContact CA-O 3.4Å; N550-K585 HydrophobicContact CB-CB 4.44Å; N550-K585 WeakPolarHBondContact OD1-CB 3.42Å; N550-K585 PolarHBondContact OD1-N 3.01Å; N550-L602 HydrophobicContact CB-CD1 4.19Å; N550-S647 WeakPolarHBondContact ND2-CB 3.31Å; N550-S647 PolarHBondContact ND2-OG 3.35Å; N550-H648 PolarHBondContact N-O 3.49Å; N550-L649 HydrophobicContact CB-CD1 4.14Å; N550-L649 WeakPolarHBondContact O-CA 3.35Å; N550-G650 PolarHBondContact O-N 2.9Å
551	V	92.6	Very high	89	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	129.9	-172.8	177.1	0	0	0	0	111.6	L546 I553 K583 K585 F586 N587 G650 Y652	L546-V551 HydrophobicContact CD2-CG1 3.92Å; L546-V551 HydrophobicContact CD2-CG2 4.31Å; V551-I553 HydrophobicContact CG1-CG1 4.25Å; V551-K583 HydrophobicContact CG2-CD 4.34Å; V551-K583 HydrophobicContact CG2-CG 4.05Å; V551-K585 PolarHBondContact N-O 2.84Å; V551-F586 CarbonylContact O-C 3.53Å; V551-F586 WeakPolarHBondContact O-CA 3.41Å; V551-F586 WeakPolarHBondContact O-CB 3.36Å; V551-N587 PolarHBondContact O-N 3.06Å; V551-G650 CarbonylContact C-O 3.59Å; V551-G650 WeakPolarHBondContact CA-O 3.41Å; V551-Y652 HydrophobicContact CG1-CD2 3.63Å; V551-Y652 HydrophobicContact CG1-CE2 3.94Å; V551-Y652 HydrophobicContact CG2-CE2 4.37Å
552	I	93.4	Very high	88.9	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	128.4	168.9	-63.7	171.1	0	0	0	108.7	N587 I589 L602 V635 L649 G650 I651 Y652	I552-N587 WeakPolarHBondContact CA-O 3.25Å; I552-N587 HydrophobicContact CG1-CB 4.13Å; I552-I589 HydrophobicContact CG2-CD1 3.77Å; I552-I589 HydrophobicContact CG2-CG1 3.99Å; I552-L602 HydrophobicContact CD1-CD2 4.08Å; I552-L602 HydrophobicContact CG1-CD2 3.75Å; I552-V635 HydrophobicContact CD1-CG1 3.78Å; I552-V635 HydrophobicContact CG2-CG2 4.15Å; I552-L649 HydrophobicContact CD1-CD1 3.91Å; I552-L649 HydrophobicContact CD1-CD2 4.1Å; I552-L649 HydrophobicContact CG1-CD1 3.9Å; I552-G650 PolarHBondContact N-O 3.13Å; I552-I651 CarbonylContact O-C 3.48Å; I552-I651 WeakPolarHBondContact O-CA 3.47Å; I552-Y652 PolarHBondContact O-N 3.18Å
553	I	94.6	Very high	88.3	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	121.5	174.2	-55.7	167.1	0	0	0	109.1	F543 V551 L572 L575 I580 N587 L588 I589 Y652	F543-I553 HydrophobicContact CE1-CG2 4.39Å; V551-I553 HydrophobicContact CG1-CG1 4.25Å; I553-L572 HydrophobicContact CD1-CD1 3.72Å; I553-L572 HydrophobicContact CG2-CD1 4.21Å; I553-L575 HydrophobicContact CD1-CD2 3.3Å; I553-L575 HydrophobicContact CD1-CG 4.13Å; I553-L575 HydrophobicContact CG1-CD2 4.13Å; I553-I580 HydrophobicContact CD1-CD1 3.11Å; I553-I580 HydrophobicContact CD1-CG1 4.27Å; I553-I580 HydrophobicContact CG1-CD1 4.14Å; I553-N587 PolarHBondContact N-O 2.82Å; I553-N587 VanDerWaalsContact N-O 3.09Å; I553-L588 HydrophobicContact CB-CD2 3.81Å; I553-L588 HydrophobicContact CD1-CD2 3.76Å; I553-L588 HydrophobicContact CG1-CD2 4.2Å; I553-I589 PolarHBondContact O-N 3.33Å; I553-I589 VanDerWaalsContact O-O 3.08Å; I553-Y652 CarbonylContact C-O 3.52Å; I553-Y652 WeakPolarHBondContact CA-O 3.42Å
554	L	95.1	Very high	87.8	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	113	171.4	-71.1	158	0	0	0	108.1	I589 F591 A631 L632 V635 I651 Y652 I653 F654	L554-I589 CarbonylContact C-O 3.59Å; L554-I589 VanDerWaalsContact CA-O 3.25Å; L554-I589 WeakPolarHBondContact CA-O 3.21Å; L554-I589 HydrophobicContact CD2-CB 3.64Å; L554-I589 HydrophobicContact CD2-CD1 4.19Å; L554-I589 HydrophobicContact CD2-CG1 4.49Å; L554-I589 HydrophobicContact CD2-CG2 3.5Å; L554-I589 VanDerWaalsContact CD2-CG2 3.5Å; L554-I589 HydrophobicContact CG-CB 4.46Å; L554-F591 HydrophobicContact CB-CD1 4.16Å; L554-F591 HydrophobicContact CB-CE1 4Å; L554-A631 HydrophobicContact CD2-CB 3.49Å; L554-A631 VanDerWaalsContact CD2-CB 3.49Å; L554-L632 HydrophobicContact CD1-CD2 3.81Å; L554-V635 HydrophobicContact CD1-CG2 4.21Å; L554-V635 HydrophobicContact CD2-CG2 4.05Å; L554-V635 HydrophobicContact CG-CG2 4.38Å; L554-I651 HydrophobicContact CD1-CG2 3.28Å; L554-I651 HydrophobicContact CG-CG2 4.26Å; L554-Y652 PolarHBondContact N-O 2.89Å; L554-I653 HydrophobicContact CB-CG1 4.17Å; L554-I653 HydrophobicContact CD1-CD1 4.44Å; L554-I653 HydrophobicContact CD1-CG1 3.66Å; L554-I653 CarbonylContact O-C 3.58Å; L554-I653 WeakPolarHBondContact O-CA 3.37Å; L554-F654 PolarHBondContact O-N 3.01Å
555	T	94.3	Very high	87.7	Confident	1 Å²	1	29.6 Å²	29.6	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125	-178.3	-51.7	0	0	0	0	111.1	L557 I568 I589 I590 F591 F617 F654	T555-L557 HydrophobicContact CG2-CD2 4.3Å; T555-L557 PolarHBondContact O-N 3.5Å; T555-I568 HydrophobicContact CG2-CG2 3.59Å; T555-I589 PolarHBondContact N-O 3.02Å; T555-I590 WeakPolarHBondContact O-CA 3.46Å; T555-F591 VanDerWaalsContact C-CE1 3.48Å; T555-F591 WeakPolarHBondContact O-CD1 3.39Å; T555-F591 PolarHBondContact O-N 3.05Å; T555-F617 HydrophobicContact CG2-CE2 3.77Å; T555-F617 HydrophobicContact CG2-CZ 3.73Å; T555-F654 HydrophobicContact CG2-CD1 4.06Å
556	D	92.7	Very high	87.4	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	109.7	175	178.7	6.9	0	0	0	110.1	S558 N561 F591 R626 F654 T655	D556-S558 WeakPolarHBondContact OD1-CB 3.46Å; D556-S558 PolarHBondContact OD1-N 3.41Å; D556-S558 PolarHBondContact OD1-OG 3.18Å; D556-S558 PolarHBondContact OD2-OG 2.89Å; D556-N561 WeakPolarHBondContact CB-ND2 3.33Å; D556-N561 PolarHBondContact O-ND2 2.87Å; D556-N561 PolarHBondContact OD1-ND2 3.33Å; D556-N561 PolarHBondContact OD2-ND2 3.28Å; D556-F591 HydrophobicContact CB-CE1 4.1Å; D556-F591 HydrophobicContact CB-CE2 3.87Å; D556-F591 HydrophobicContact CB-CZ 3.55Å; D556-R626 WeakPolarHBondContact OD2-CD 3.47Å; D556-R626 IonicContact OD2-CZ 3.22Å; D556-R626 IonicContact OD2-NE 3.85Å; D556-R626 PolarHBondContact OD2-NE 3.49Å; D556-F654 VanDerWaalsContact CB-O 3.29Å; D556-F654 WeakPolarHBondContact CB-O 3.48Å; D556-F654 PolarHBondContact N-O 3.39Å; D556-T655 PolarHBondContact OD2-OG1 3.18Å
557	L	91.5	Very high	86.8	Confident	7 Å²	7	31.6 Å²	31.6	4%	0.037	16%	0.16	C	C	.	.			trans	-112.4	38.8	171.3	-63.8	-173.2	0	0	0	110.6	T555 M565 I568 I590 F591 F617 H620 C622 N623	T555-L557 HydrophobicContact CG2-CD2 4.3Å; T555-L557 PolarHBondContact O-N 3.5Å; L557-M565 HydrophobicContact CD2-CE 4.06Å; L557-M565 HydrophobicContact CD2-SD 3.54Å; L557-M565 VanDerWaalsContact CD2-SD 3.54Å; L557-I568 HydrophobicContact CD2-CG2 4.4Å; L557-I590 HydrophobicContact CD1-CB 3.86Å; L557-I590 HydrophobicContact CD1-CD1 4.06Å; L557-I590 HydrophobicContact CD1-CG2 3.7Å; L557-I590 HydrophobicContact CG-CB 4.25Å; L557-I590 HydrophobicContact CG-CG2 4.25Å; L557-F591 PolarHBondContact N-O 3.01Å; L557-F617 HydrophobicContact CD1-CE2 4.19Å; L557-F617 HydrophobicContact CD1-CZ 4.4Å; L557-F617 HydrophobicContact CD2-CE2 4.47Å; L557-F617 HydrophobicContact CD2-CZ 4.04Å; L557-H620 HydrophobicContact CD1-CB 3.87Å; L557-C622 CarbonylContact O-C 3.58Å; L557-C622 WeakPolarHBondContact O-CA 3.41Å; L557-N623 PolarHBondContact O-N 3.28Å
558	S	88.8	Confident	86.8	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.147	C	C	.	.			trans	-67	161.2	171	62.3	0	0	0	0	112.5	D556 Y560 N561 C622 S625 R626	D556-S558 WeakPolarHBondContact OD1-CB 3.46Å; D556-S558 PolarHBondContact OD1-N 3.41Å; D556-S558 PolarHBondContact OD1-OG 3.18Å; D556-S558 PolarHBondContact OD2-OG 2.89Å; S558-Y560 PolarHBondContact O-N 2.91Å; S558-Y560 VanDerWaalsContact O-N 3.14Å; S558-N561 WeakPolarHBondContact O-CB 3.22Å; S558-N561 PolarHBondContact O-N 2.96Å; S558-C622 WeakPolarHBondContact O-CB 3.29Å; S558-C622 PolarHBondContact O-SG 2.71Å; S558-S625 WeakPolarHBondContact CB-O 3.38Å; S558-R626 WeakPolarHBondContact OG-CG 3.29Å; S558-R626 PolarHBondContact OG-NE 3.08Å
559	E	83.4	Confident	86.8	Confident	127 Å²	127	29.4 Å²	29.4	59%	0.593	15%	0.148	S	C	*	.	G	3₁₀ helix	trans	-56.8	-31	178.6	-174.7	176.4	173.8	0	0	112.4	N561 T562 G624	E559-N561 PolarHBondContact O-N 2.89Å; E559-T562 WeakPolarHBondContact O-CB 3.45Å; E559-T562 PolarHBondContact O-N 3.16Å; E559-T562 VanDerWaalsContact O-N 3.15Å; E559-T562 PolarHBondContact O-OG1 3.49Å; E559-G624 WeakPolarHBondContact CB-O 3.35Å; E559-G624 PolarHBondContact N-O 3.26Å
560	Y	79.8	Confident	86.7	Confident	109 Å²	109	28.1 Å²	28.1	43%	0.427	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-64.2	-20.3	176.3	-57.5	-83	0	0	0	113.7	S558 R626	S558-Y560 PolarHBondContact O-N 2.91Å; S558-Y560 VanDerWaalsContact O-N 3.14Å; Y560-R626 VanDerWaalsContact CG-NH1 3.33Å
561	N	83.6	Confident	86.6	Confident	2 Å²	2	28 Å²	28	1%	0.011	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-92.3	2.1	177.9	-74.3	-10.6	0	0	0	114.1	D556 S558 E559 I563 Y564 M565 I568 S656	D556-N561 WeakPolarHBondContact CB-ND2 3.33Å; D556-N561 PolarHBondContact O-ND2 2.87Å; D556-N561 PolarHBondContact OD1-ND2 3.33Å; D556-N561 PolarHBondContact OD2-ND2 3.28Å; S558-N561 WeakPolarHBondContact O-CB 3.22Å; S558-N561 PolarHBondContact O-N 2.96Å; E559-N561 PolarHBondContact O-N 2.89Å; N561-I563 PolarHBondContact O-N 3.44Å; N561-I563 VanDerWaalsContact O-N 3.17Å; N561-Y564 CarbonylContact O-C 3.59Å; N561-Y564 WeakPolarHBondContact O-CA 3.36Å; N561-Y564 PolarHBondContact O-N 3.37Å; N561-M565 PolarHBondContact O-N 3.19Å; N561-I568 HydrophobicContact CB-CD1 3.72Å; N561-S656 WeakPolarHBondContact OD1-CB 3.3Å; N561-S656 PolarHBondContact OD1-OG 2.96Å
562	T	80.3	Confident	86.5	Confident	79 Å²	79	28 Å²	28	49%	0.485	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-54.3	-40.2	-178.7	-55.6	0	0	0	0	111.8	E559 Y564 C622	E559-T562 WeakPolarHBondContact O-CB 3.45Å; E559-T562 PolarHBondContact O-N 3.16Å; E559-T562 VanDerWaalsContact O-N 3.15Å; E559-T562 PolarHBondContact O-OG1 3.49Å; T562-Y564 VanDerWaalsContact C-N 3.31Å; T562-Y564 PolarHBondContact O-N 3.01Å; T562-C622 VanDerWaalsContact OG1-CB 3.31Å; T562-C622 WeakPolarHBondContact OG1-CB 3.38Å
563	I	74.1	Confident	86.4	Confident	121 Å²	121	28.3 Å²	28.3	62%	0.621	14%	0.137	S	C	*	.	G	3₁₀ helix	trans	-71.3	-28.7	177.4	-54.7	170.9	0	0	0	111.5	N561	N561-I563 PolarHBondContact O-N 3.44Å; N561-I563 VanDerWaalsContact O-N 3.17Å
564	Y	78	Confident	86	Confident	21 Å²	21	29.8 Å²	29.8	8%	0.082	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-93.8	-0.3	-175.5	-51.6	-45	0	0	0	113.7	N561 T562 V566 H567 I568 Y687 V689 N691	N561-Y564 CarbonylContact O-C 3.59Å; N561-Y564 WeakPolarHBondContact O-CA 3.36Å; N561-Y564 PolarHBondContact O-N 3.37Å; T562-Y564 VanDerWaalsContact C-N 3.31Å; T562-Y564 PolarHBondContact O-N 3.01Å; Y564-V566 VanDerWaalsContact C-N 3.29Å; Y564-V566 PolarHBondContact O-N 2.96Å; Y564-H567 WeakPolarHBondContact O-CA 3.45Å; Y564-H567 WeakPolarHBondContact O-CB 3.3Å; Y564-H567 PolarHBondContact O-N 3.47Å; Y564-I568 WeakPolarHBondContact O-CG1 3.39Å; Y564-I568 PolarHBondContact O-N 3.12Å; Y564-Y687 AromaticContact CD1-CE1 3.8Å; Y564-Y687 HydrophobicContact CD1-CE1 3.8Å; Y564-Y687 HydrophobicContact CG-CD1 4.26Å; Y564-Y687 AromaticContact CG-CE1 3.86Å; Y564-Y687 HydrophobicContact CG-CE1 3.86Å; Y564-V689 HydrophobicContact CD1-CB 4.42Å; Y564-V689 HydrophobicContact CD1-CG2 3.68Å; Y564-V689 HydrophobicContact CE1-CB 3.57Å; Y564-V689 HydrophobicContact CE1-CG1 4.15Å; Y564-V689 HydrophobicContact CE1-CG2 3.31Å; Y564-N691 VanDerWaalsContact OH-CG 3.3Å; Y564-N691 PolarHBondContact OH-ND2 2.9Å; Y564-N691 PolarHBondContact OH-OD1 2.96Å
565	M	84.6	Confident	85.9	Confident	26 Å²	26	29.8 Å²	29.8	13%	0.128	14%	0.144	C	C	.	.	H	α-helix	trans	-53.9	-41.6	-175.2	-84.7	-59.5	-73.8	0	0	113.8	L557 N561 H567 I568 H569 C622	L557-M565 HydrophobicContact CD2-CE 4.06Å; L557-M565 HydrophobicContact CD2-SD 3.54Å; L557-M565 VanDerWaalsContact CD2-SD 3.54Å; N561-M565 PolarHBondContact O-N 3.19Å; M565-H567 VanDerWaalsContact C-N 3.33Å; M565-H567 PolarHBondContact O-N 3.33Å; M565-I568 PolarHBondContact O-N 2.72Å; M565-I568 HydrophobicContact SD-CD1 4.43Å; M565-H569 WeakPolarHBondContact CE-NE2 3.44Å; M565-H569 WeakPolarHBondContact O-CB 3.26Å; M565-H569 PolarHBondContact O-CD2 2.76Å; M565-H569 PolarHBondContact O-N 3.12Å; M565-C622 HydrophobicContact CG-CB 4.36Å; M565-C622 WeakPolarHBondContact CG-SG 3.41Å; M565-C622 HydrophobicContact SD-CB 4.48Å; M565-C622 PolarHBondContact SD-SG 3.04Å
566	V	81.2	Confident	85.8	Confident	29 Å²	29	29.8 Å²	29.8	18%	0.176	14%	0.144	C	C	.	.	H	α-helix	trans	-61.5	-42.7	177.3	-179.2	0	0	0	0	111.1	N398 L421 Y564 H569 Y570	N398-V566 WeakPolarHBondContact OD1-CG2 3.35Å; L421-V566 HydrophobicContact CD1-CG1 3.95Å; Y564-V566 VanDerWaalsContact C-N 3.29Å; Y564-V566 PolarHBondContact O-N 2.96Å; V566-H569 PolarHBondContact O-N 2.59Å; V566-Y570 WeakPolarHBondContact O-CB 3.49Å; V566-Y570 PolarHBondContact O-N 2.7Å
567	H	80.1	Confident	85.6	Confident	15 Å²	15	30.8 Å²	30.8	7%	0.069	15%	0.149	C	C	.	.	H	α-helix	trans	-69.1	-36.9	176.3	-64.7	-68.1	0	0	0	112	Y564 M565 Y570 C571 Y687 E729	Y564-H567 WeakPolarHBondContact O-CA 3.45Å; Y564-H567 WeakPolarHBondContact O-CB 3.3Å; Y564-H567 PolarHBondContact O-N 3.47Å; M565-H567 VanDerWaalsContact C-N 3.33Å; M565-H567 PolarHBondContact O-N 3.33Å; H567-Y570 PolarHBondContact O-N 3.29Å; H567-C571 WeakPolarHBondContact O-CB 3.25Å; H567-C571 PolarHBondContact O-N 3.04Å; H567-C571 PolarHBondContact O-SG 3.36Å; H567-Y687 HydrophobicContact CB-CE1 4.07Å; H567-Y687 PolarHBondContact CD2-OH 3.04Å; H567-Y687 AromaticContact CG-CZ 3.99Å; H567-Y687 VanDerWaalsContact CG-OH 3.26Å; H567-E729 IonicContact NE2-OE1 3.83Å
568	I	87.3	Confident	85.3	Confident	5 Å²	5	32.2 Å²	32.2	3%	0.026	16%	0.155	C	C	.	.	H	α-helix	trans	-63.7	-46.7	176.1	-67.3	170.1	0	0	0	110.5	T555 L557 N561 Y564 M565 Y570 C571 L572 F617 F654	T555-I568 HydrophobicContact CG2-CG2 3.59Å; L557-I568 HydrophobicContact CD2-CG2 4.4Å; N561-I568 HydrophobicContact CB-CD1 3.72Å; Y564-I568 WeakPolarHBondContact O-CG1 3.39Å; Y564-I568 PolarHBondContact O-N 3.12Å; M565-I568 PolarHBondContact O-N 2.72Å; M565-I568 HydrophobicContact SD-CD1 4.43Å; I568-Y570 VanDerWaalsContact C-N 3.33Å; I568-Y570 PolarHBondContact O-N 3Å; I568-C571 PolarHBondContact O-N 3.26Å; I568-L572 WeakPolarHBondContact O-CB 3.43Å; I568-L572 PolarHBondContact O-N 2.97Å; I568-F617 HydrophobicContact CG2-CE1 4.38Å; I568-F617 HydrophobicContact CG2-CZ 3.88Å; I568-F654 HydrophobicContact CB-CE1 4.07Å; I568-F654 HydrophobicContact CG1-CE1 3.78Å; I568-F654 HydrophobicContact CG1-CZ 4.27Å; I568-F654 HydrophobicContact CG2-CD1 4.33Å; I568-F654 HydrophobicContact CG2-CE1 3.95Å
569	H	88.4	Confident	85.4	Confident	19 Å²	19	32.7 Å²	32.7	9%	0.088	16%	0.157	C	C	.	.	H	α-helix	trans	-57.5	-46.5	174.8	-76.4	-167.7	0	0	0	111.3	L421 M565 V566 R573 W614 F617	L421-H569 HydrophobicContact CD2-CB 3.37Å; M565-H569 WeakPolarHBondContact CE-NE2 3.44Å; M565-H569 WeakPolarHBondContact O-CB 3.26Å; M565-H569 PolarHBondContact O-CD2 2.76Å; M565-H569 PolarHBondContact O-N 3.12Å; V566-H569 PolarHBondContact O-N 2.59Å; H569-R573 WeakPolarHBondContact O-CB 3.41Å; H569-R573 PolarHBondContact O-N 2.65Å; H569-W614 HydrophobicContact CB-CH2 4.01Å; H569-W614 WeakPolarHBondContact O-CH2 3.4Å; H569-F617 AromaticContact CD2-CE1 3.55Å; H569-F617 AromaticContact NE2-CE1 3.86Å
570	Y	86.4	Confident	85.8	Confident	25 Å²	25	26.6 Å²	26.6	10%	0.098	13%	0.129	C	C	.	.	H	α-helix	trans	-60.9	-52	179.6	179	-100	0	0	0	111.6	P415 L421 Y542 V566 H567 I568 L572 R573 H574	P415-Y570 HydrophobicContact CB-CD2 4.36Å; P415-Y570 HydrophobicContact CB-CE2 4.13Å; P415-Y570 HydrophobicContact CG-CD2 3.81Å; P415-Y570 HydrophobicContact CG-CE2 4.06Å; L421-Y570 VanDerWaalsContact CD2-N 3.28Å; Y542-Y570 HydrophobicContact CE2-CE1 4.36Å; V566-Y570 WeakPolarHBondContact O-CB 3.49Å; V566-Y570 PolarHBondContact O-N 2.7Å; H567-Y570 PolarHBondContact O-N 3.29Å; I568-Y570 VanDerWaalsContact C-N 3.33Å; I568-Y570 PolarHBondContact O-N 3Å; Y570-L572 PolarHBondContact O-N 3.42Å; Y570-R573 PolarHBondContact O-N 2.6Å; Y570-H574 AromaticContact CD2-CD2 3.74Å; Y570-H574 AromaticContact CD2-NE2 3.88Å; Y570-H574 AromaticContact CE1-CD2 3.88Å; Y570-H574 AromaticContact CE2-CD2 3.43Å; Y570-H574 VanDerWaalsContact CE2-CD2 3.43Å; Y570-H574 WeakPolarHBondContact CE2-CD2 3.48Å; Y570-H574 AromaticContact CE2-NE2 3.18Å; Y570-H574 WeakPolarHBondContact CE2-NE2 3.46Å; Y570-H574 AromaticContact CZ-CD2 3.5Å; Y570-H574 AromaticContact CZ-NE2 3.4Å; Y570-H574 PolarHBondContact O-CD2 3.22Å; Y570-H574 PolarHBondContact O-N 3.32Å; Y570-H574 VanDerWaalsContact O-N 3.08Å
571	C	88.3	Confident	86.2	Confident	1 Å²	1	22.1 Å²	22.1	1%	0.007	11%	0.114	C	C	.	.	H	α-helix	trans	-60.8	-45.6	-179.3	-73.6	0	0	0	0	111.9	Y542 F543 H567 I568 L575 F654	Y542-C571 HydrophobicContact CD2-CB 4.34Å; F543-C571 HydrophobicContact CE2-CB 4.11Å; H567-C571 WeakPolarHBondContact O-CB 3.25Å; H567-C571 PolarHBondContact O-N 3.04Å; H567-C571 PolarHBondContact O-SG 3.36Å; I568-C571 PolarHBondContact O-N 3.26Å; C571-L575 WeakPolarHBondContact O-CB 3.42Å; C571-L575 PolarHBondContact O-N 3Å; C571-F654 HydrophobicContact CB-CE1 4.18Å; C571-F654 HydrophobicContact CB-CZ 4.12Å
572	L	91	Very high	86.3	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-69.5	-40.8	-179.4	-175.2	61.7	0	0	0	112.1	I553 I568 Y570 L575 L576 L588 W614 F617	I553-L572 HydrophobicContact CD1-CD1 3.72Å; I553-L572 HydrophobicContact CG2-CD1 4.21Å; I568-L572 WeakPolarHBondContact O-CB 3.43Å; I568-L572 PolarHBondContact O-N 2.97Å; Y570-L572 PolarHBondContact O-N 3.42Å; L572-L575 HydrophobicContact CD1-CD2 4.46Å; L572-L575 WeakPolarHBondContact O-CB 3.18Å; L572-L575 PolarHBondContact O-N 3.22Å; L572-L576 HydrophobicContact CG-CD1 4.18Å; L572-L576 WeakPolarHBondContact O-CG 3.42Å; L572-L576 PolarHBondContact O-N 3.16Å; L572-L588 HydrophobicContact CD1-CD2 4.19Å; L572-W614 HydrophobicContact CB-CZ3 4.36Å; L572-W614 HydrophobicContact CD2-CZ3 4.22Å; L572-W614 HydrophobicContact CG-CZ3 4.31Å; L572-F617 HydrophobicContact CD2-CB 4.44Å; L572-F617 HydrophobicContact CD2-CD1 3.57Å; L572-F617 HydrophobicContact CD2-CD2 3.52Å; L572-F617 HydrophobicContact CD2-CE1 3.52Å; L572-F617 HydrophobicContact CD2-CE2 3.48Å; L572-F617 VanDerWaalsContact CD2-CE2 3.48Å; L572-F617 HydrophobicContact CD2-CG 3.56Å; L572-F617 HydrophobicContact CD2-CZ 3.49Å; L572-F617 VanDerWaalsContact CD2-CZ 3.49Å
573	R	90	Very high	86.8	Confident	7 Å²	7	23.4 Å²	23.4	3%	0.026	12%	0.12	C	C	.	.	H	α-helix	trans	-57	-53.5	175.2	-179	-173.2	175.2	94.6	5.5	111.3	L420 G423 K424 L425 H569 Y570 L575 L576 E577 W614	L420-R573 VanDerWaalsContact O-CD 3.25Å; L420-R573 WeakPolarHBondContact O-CD 3.45Å; L420-R573 PolarHBondContact O-NE 3.07Å; L420-R573 PolarHBondContact O-NH1 3.35Å; G423-R573 PolarHBondContact O-NH1 3.07Å; K424-R573 PolarHBondContact O-NH2 3.08Å; L425-R573 HydrophobicContact CD2-CG 3.81Å; H569-R573 WeakPolarHBondContact O-CB 3.41Å; H569-R573 PolarHBondContact O-N 2.65Å; Y570-R573 PolarHBondContact O-N 2.6Å; R573-L575 PolarHBondContact O-N 2.78Å; R573-L576 PolarHBondContact O-N 2.8Å; R573-L576 VanDerWaalsContact O-N 3.15Å; R573-E577 HydrophobicContact CG-CG 4.5Å; R573-E577 IonicContact CZ-OE1 3.77Å; R573-E577 IonicContact NE-OE1 3.39Å; R573-E577 PolarHBondContact NE-OE1 2.76Å; R573-E577 IonicContact NE-OE2 2.76Å; R573-E577 IonicContact NH2-OE1 3.22Å; R573-E577 PolarHBondContact NH2-OE1 2.92Å; R573-E577 WeakPolarHBondContact O-CG 3.26Å; R573-E577 PolarHBondContact O-N 3.24Å; R573-W614 HydrophobicContact CB-CH2 4.04Å; R573-W614 HydrophobicContact CB-CZ2 4.21Å; R573-W614 HydrophobicContact CB-CZ3 4.35Å
574	H	88.1	Confident	87.4	Confident	32 Å²	32	21 Å²	21	15%	0.148	11%	0.114	C	C	.	.	H	α-helix	trans	-60.3	-35.7	177.8	-86.6	-78.9	0	0	0	112	Y570 E578	Y570-H574 AromaticContact CD2-CD2 3.74Å; Y570-H574 AromaticContact CD2-NE2 3.88Å; Y570-H574 AromaticContact CE1-CD2 3.88Å; Y570-H574 AromaticContact CE2-CD2 3.43Å; Y570-H574 VanDerWaalsContact CE2-CD2 3.43Å; Y570-H574 WeakPolarHBondContact CE2-CD2 3.48Å; Y570-H574 AromaticContact CE2-NE2 3.18Å; Y570-H574 WeakPolarHBondContact CE2-NE2 3.46Å; Y570-H574 AromaticContact CZ-CD2 3.5Å; Y570-H574 AromaticContact CZ-NE2 3.4Å; Y570-H574 PolarHBondContact O-CD2 3.22Å; Y570-H574 PolarHBondContact O-N 3.32Å; Y570-H574 VanDerWaalsContact O-N 3.08Å; H574-E578 IonicContact CE1-OE1 2.71Å; H574-E578 IonicContact CG-OE1 3.97Å; H574-E578 IonicContact ND1-OE1 2.72Å; H574-E578 PolarHBondContact ND1-OE1 2.82Å; H574-E578 WeakPolarHBondContact O-CB 3.4Å; H574-E578 VanDerWaalsContact O-CG 3.29Å; H574-E578 WeakPolarHBondContact O-CG 3.49Å; H574-E578 PolarHBondContact O-N 2.83Å
575	L	91.7	Very high	88	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.4	-42.7	176.3	-173.8	65.5	0	0	0	112.4	F543 L546 I553 C571 L572 R573 Q579 I580	F543-L575 HydrophobicContact CB-CD1 4.01Å; F543-L575 HydrophobicContact CB-CD2 4.5Å; F543-L575 HydrophobicContact CD1-CD2 3.66Å; F543-L575 HydrophobicContact CD2-CB 4.32Å; F543-L575 HydrophobicContact CD2-CD1 4Å; F543-L575 HydrophobicContact CD2-CD2 3.71Å; F543-L575 HydrophobicContact CD2-CG 4.25Å; F543-L575 HydrophobicContact CE1-CD2 3.62Å; F543-L575 HydrophobicContact CE2-CB 4.27Å; F543-L575 HydrophobicContact CE2-CD2 3.69Å; F543-L575 HydrophobicContact CE2-CG 4.45Å; F543-L575 HydrophobicContact CG-CD1 3.99Å; F543-L575 HydrophobicContact CG-CD2 3.7Å; F543-L575 HydrophobicContact CG-CG 4.44Å; F543-L575 HydrophobicContact CZ-CD2 3.65Å; L546-L575 HydrophobicContact CD1-CD1 3.73Å; L546-L575 HydrophobicContact CD2-CD1 3.86Å; L546-L575 HydrophobicContact CD2-CG 4.42Å; L546-L575 HydrophobicContact CG-CD1 4.47Å; I553-L575 HydrophobicContact CD1-CD2 3.3Å; I553-L575 HydrophobicContact CD1-CG 4.13Å; I553-L575 HydrophobicContact CG1-CD2 4.13Å; C571-L575 WeakPolarHBondContact O-CB 3.42Å; C571-L575 PolarHBondContact O-N 3Å; L572-L575 HydrophobicContact CD1-CD2 4.46Å; L572-L575 WeakPolarHBondContact O-CB 3.18Å; L572-L575 PolarHBondContact O-N 3.22Å; R573-L575 PolarHBondContact O-N 2.78Å; L575-Q579 HydrophobicContact CD1-CB 3.97Å; L575-Q579 HydrophobicContact CD1-CG 4.26Å; L575-Q579 PolarHBondContact O-N 3.14Å; L575-I580 HydrophobicContact CG-CD1 4.37Å; L575-I580 HydrophobicContact CG-CG1 4.32Å; L575-I580 PolarHBondContact O-N 2.79Å
576	L	92	Very high	88.4	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.5	-46.7	176.3	-72.8	167.3	0	0	0	111.7	L425 L572 R573 I580 S581 F586 L610 W614	L425-L576 HydrophobicContact CD1-CB 4.22Å; L425-L576 HydrophobicContact CD1-CD1 4.43Å; L425-L576 HydrophobicContact CD2-CB 4.46Å; L572-L576 HydrophobicContact CG-CD1 4.18Å; L572-L576 WeakPolarHBondContact O-CG 3.42Å; L572-L576 PolarHBondContact O-N 3.16Å; R573-L576 PolarHBondContact O-N 2.8Å; R573-L576 VanDerWaalsContact O-N 3.15Å; L576-I580 HydrophobicContact CD2-CB 4.35Å; L576-I580 HydrophobicContact CD2-CD1 3.53Å; L576-I580 HydrophobicContact CD2-CG1 4.43Å; L576-I580 HydrophobicContact CD2-CG2 4.47Å; L576-I580 HydrophobicContact CG-CD1 4.27Å; L576-S581 PolarHBondContact O-N 3Å; L576-F586 HydrophobicContact CD2-CE2 4.19Å; L576-L610 HydrophobicContact CD2-CD2 3.81Å; L576-W614 HydrophobicContact CD1-CB 4.22Å; L576-W614 HydrophobicContact CD1-CD2 4.42Å; L576-W614 HydrophobicContact CD1-CE3 3.78Å
577	E	89.2	Confident	89	Confident	21 Å²	21	19.7 Å²	19.7	10%	0.098	11%	0.105	C	C	.	.	H	α-helix	trans	-67.4	-43.5	-179.3	-69.8	177.5	157.9	0	0	112.4	L425 Q426 R573 S581	L425-E577 WeakPolarHBondContact CA-OE1 3.47Å; L425-E577 HydrophobicContact CB-CG 4.15Å; L425-E577 HydrophobicContact CD2-CG 3.99Å; Q426-E577 PolarHBondContact N-OE1 3.05Å; R573-E577 HydrophobicContact CG-CG 4.5Å; R573-E577 IonicContact CZ-OE1 3.77Å; R573-E577 IonicContact NE-OE1 3.39Å; R573-E577 PolarHBondContact NE-OE1 2.76Å; R573-E577 IonicContact NE-OE2 2.76Å; R573-E577 IonicContact NH2-OE1 3.22Å; R573-E577 PolarHBondContact NH2-OE1 2.92Å; R573-E577 WeakPolarHBondContact O-CG 3.26Å; R573-E577 PolarHBondContact O-N 3.24Å; E577-S581 WeakPolarHBondContact O-CB 3.13Å; E577-S581 PolarHBondContact O-OG 2.86Å
578	E	85.8	Confident	89.6	Confident	38 Å²	38	19 Å²	19	18%	0.178	10%	0.102	C	C	.	.	H	α-helix	trans	-98	-37.8	-166.9	-62.1	-179.5	-166.8	0	0	115	K538 S539 H574	K538-E578 WeakPolarHBondContact CB-OE2 3.39Å; K538-E578 WeakPolarHBondContact CD-OE1 3.3Å; K538-E578 WeakPolarHBondContact CD-OE2 3.39Å; K538-E578 IonicContact NZ-OE1 3.06Å; S539-E578 PolarHBondContact OG-OE2 2.92Å; H574-E578 IonicContact CE1-OE1 2.71Å; H574-E578 IonicContact CG-OE1 3.97Å; H574-E578 IonicContact ND1-OE1 2.72Å; H574-E578 PolarHBondContact ND1-OE1 2.82Å; H574-E578 WeakPolarHBondContact O-CB 3.4Å; H574-E578 VanDerWaalsContact O-CG 3.29Å; H574-E578 WeakPolarHBondContact O-CG 3.49Å; H574-E578 PolarHBondContact O-N 2.83Å
579	Q	90.7	Very high	90	Very high	9 Å²	9	18.8 Å²	18.8	4%	0.042	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-45.8	-173.4	-59.8	-163.5	83.1	0	0	113	S539 G544 L546 L575 S581 T582	S539-Q579 WeakPolarHBondContact OG-CG 3.31Å; S539-Q579 PolarHBondContact OG-NE2 2.99Å; G544-Q579 PolarHBondContact O-NE2 3Å; G544-Q579 PolarHBondContact O-OE1 3.05Å; L546-Q579 HydrophobicContact CB-CB 4.36Å; L546-Q579 HydrophobicContact CD2-CB 4.04Å; L575-Q579 HydrophobicContact CD1-CB 3.97Å; L575-Q579 HydrophobicContact CD1-CG 4.26Å; L575-Q579 PolarHBondContact O-N 3.14Å; Q579-S581 VanDerWaalsContact C-N 3.31Å; Q579-S581 PolarHBondContact O-N 3.43Å; Q579-T582 PolarHBondContact O-N 2.87Å; Q579-T582 VanDerWaalsContact O-N 3.17Å; Q579-T582 PolarHBondContact O-OG1 3.24Å
580	I	91.8	Very high	90.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-67.3	-35.7	-178.8	-59.8	-175.6	0	0	0	111.3	L546 I553 L575 L576 T582 K583 F586 V605 L610	L546-I580 HydrophobicContact CD2-CG1 4.14Å; I553-I580 HydrophobicContact CD1-CD1 3.11Å; I553-I580 HydrophobicContact CD1-CG1 4.27Å; I553-I580 HydrophobicContact CG1-CD1 4.14Å; L575-I580 HydrophobicContact CG-CD1 4.37Å; L575-I580 HydrophobicContact CG-CG1 4.32Å; L575-I580 PolarHBondContact O-N 2.79Å; L576-I580 HydrophobicContact CD2-CB 4.35Å; L576-I580 HydrophobicContact CD2-CD1 3.53Å; L576-I580 HydrophobicContact CD2-CG1 4.43Å; L576-I580 HydrophobicContact CD2-CG2 4.47Å; L576-I580 HydrophobicContact CG-CD1 4.27Å; I580-T582 PolarHBondContact O-N 3.23Å; I580-K583 WeakPolarHBondContact O-CB 3.43Å; I580-K583 PolarHBondContact O-N 3.05Å; I580-F586 HydrophobicContact CD1-CD2 4.49Å; I580-F586 HydrophobicContact CG2-CB 3.64Å; I580-F586 HydrophobicContact CG2-CD1 4.18Å; I580-F586 HydrophobicContact CG2-CD2 3.87Å; I580-F586 HydrophobicContact CG2-CG 3.61Å; I580-V605 HydrophobicContact CG2-CG2 4.18Å; I580-L610 HydrophobicContact CB-CD2 4.32Å; I580-L610 HydrophobicContact CG2-CD2 3.72Å
581	S	88	Confident	90.6	Very high	15 Å²	15	17.2 Å²	17.2	11%	0.105	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-54.1	-15.9	174.4	65	0	0	0	0	114.4	L576 E577 Q579	L576-S581 PolarHBondContact O-N 3Å; E577-S581 WeakPolarHBondContact O-CB 3.13Å; E577-S581 PolarHBondContact O-OG 2.86Å; Q579-S581 VanDerWaalsContact C-N 3.31Å; Q579-S581 PolarHBondContact O-N 3.43Å
582	T	85.8	Confident	90.6	Very high	86 Å²	86	17.3 Å²	17.3	53%	0.528	10%	0.096	S	C	.	.	G	3₁₀ helix	trans	-99.6	1.3	176.6	71.4	0	0	0	0	114.5	Q579 I580	Q579-T582 PolarHBondContact O-N 2.87Å; Q579-T582 VanDerWaalsContact O-N 3.17Å; Q579-T582 PolarHBondContact O-OG1 3.24Å; I580-T582 PolarHBondContact O-N 3.23Å
583	K	89.4	Confident	90.4	Very high	22 Å²	22	19.3 Å²	19.3	10%	0.096	11%	0.11	C	C	.	.	S	Bend	trans	-94.5	165.7	-176.1	-57	-50.4	-170.8	165.6	0	112.2	L546 I547 E548 V551 I580 V605	L546-K583 WeakPolarHBondContact O-CE 3.38Å; L546-K583 PolarHBondContact O-NZ 2.96Å; I547-K583 PolarHBondContact O-NZ 3.42Å; I547-K583 VanDerWaalsContact O-NZ 3.14Å; E548-K583 VanDerWaalsContact O-CD 3.3Å; E548-K583 WeakPolarHBondContact O-CD 3.22Å; E548-K583 WeakPolarHBondContact O-CE 3.49Å; E548-K583 PolarHBondContact O-NZ 3.31Å; V551-K583 HydrophobicContact CG2-CD 4.34Å; V551-K583 HydrophobicContact CG2-CG 4.05Å; I580-K583 WeakPolarHBondContact O-CB 3.43Å; I580-K583 PolarHBondContact O-N 3.05Å; K583-V605 HydrophobicContact CB-CG2 4.17Å; K583-V605 WeakPolarHBondContact O-CB 3.34Å; K583-V605 WeakPolarHBondContact O-CG2 3.39Å
584	S	87.4	Confident	90.3	Very high	71 Å²	71	25.1 Å²	25.1	50%	0.497	14%	0.141	S	C	.	.	S	Bend	trans	-84	-58.5	-179.9	-59.3	0	0	0	0	110.5	P549 V605	P549-S584 PolarHBondContact O-N 3.03Å; S584-V605 PolarHBondContact O-N 3.49Å
585	K	91.1	Very high	90.4	Very high	48 Å²	48	24.7 Å²	24.7	21%	0.209	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	152.3	175.7	-55.9	-175.6	177.8	-177.2	0	111.5	P549 N550 V551 L602 I603 D604 D643	P549-K585 PolarHBondContact O-N 2.89Å; N550-K585 VanDerWaalsContact CA-O 3.28Å; N550-K585 WeakPolarHBondContact CA-O 3.4Å; N550-K585 HydrophobicContact CB-CB 4.44Å; N550-K585 WeakPolarHBondContact OD1-CB 3.42Å; N550-K585 PolarHBondContact OD1-N 3.01Å; V551-K585 PolarHBondContact N-O 2.84Å; K585-L602 HydrophobicContact CB-CB 4.05Å; K585-L602 HydrophobicContact CB-CD2 4.49Å; K585-L602 HydrophobicContact CD-CB 4.06Å; K585-I603 CarbonylContact C-O 3.57Å; K585-I603 WeakPolarHBondContact CA-O 3.2Å; K585-I603 WeakPolarHBondContact CB-O 3.34Å; K585-D604 WeakPolarHBondContact CE-OD1 3.14Å; K585-D604 WeakPolarHBondContact CG-OD1 3.34Å; K585-D643 IonicContact NZ-OD1 2.84Å; K585-D643 PolarHBondContact NZ-OD1 3.08Å
586	F	93.4	Very high	90.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	165.3	174.1	83.1	-68.8	0	0	0	112.7	V551 L576 I580 L588 I603 V605 L610 S613	V551-F586 CarbonylContact O-C 3.53Å; V551-F586 WeakPolarHBondContact O-CA 3.41Å; V551-F586 WeakPolarHBondContact O-CB 3.36Å; L576-F586 HydrophobicContact CD2-CE2 4.19Å; I580-F586 HydrophobicContact CD1-CD2 4.49Å; I580-F586 HydrophobicContact CG2-CB 3.64Å; I580-F586 HydrophobicContact CG2-CD1 4.18Å; I580-F586 HydrophobicContact CG2-CD2 3.87Å; I580-F586 HydrophobicContact CG2-CG 3.61Å; F586-L588 HydrophobicContact CE2-CG 4.36Å; F586-I603 PolarHBondContact N-O 3.22Å; F586-I603 PolarHBondContact O-N 2.81Å; F586-V605 HydrophobicContact CB-CG2 4.23Å; F586-V605 HydrophobicContact CD1-CB 4.37Å; F586-V605 HydrophobicContact CD1-CG2 3.52Å; F586-V605 HydrophobicContact CE1-CG2 4.3Å; F586-V605 HydrophobicContact CG-CG2 4.21Å; F586-L610 HydrophobicContact CD1-CD2 4.29Å; F586-L610 HydrophobicContact CD2-CD2 4.4Å; F586-L610 HydrophobicContact CE1-CD2 3.78Å; F586-L610 HydrophobicContact CE1-CG 4.23Å; F586-L610 HydrophobicContact CE2-CD2 3.92Å; F586-L610 HydrophobicContact CZ-CD2 3.6Å; F586-L610 HydrophobicContact CZ-CG 4.22Å; F586-S613 WeakPolarHBondContact CE2-OG 3.31Å; F586-S613 WeakPolarHBondContact CZ-OG 3.3Å
587	N	92.9	Very high	90.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	158.3	165.1	-160.4	8.2	0	0	0	110.4	V551 I552 I553 Q599 L602	V551-N587 PolarHBondContact O-N 3.06Å; I552-N587 WeakPolarHBondContact CA-O 3.25Å; I552-N587 HydrophobicContact CG1-CB 4.13Å; I553-N587 PolarHBondContact N-O 2.82Å; I553-N587 VanDerWaalsContact N-O 3.09Å; N587-Q599 PolarHBondContact ND2-O 3.3Å; N587-Q599 PolarHBondContact OD1-N 2.85Å; N587-L602 HydrophobicContact CB-CD2 4.35Å
588	L	93.7	Very high	90.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	133.8	174.7	-61.9	-179.2	0	0	0	109.2	I553 L572 F586 Y598 W616 F617	I553-L588 HydrophobicContact CB-CD2 3.81Å; I553-L588 HydrophobicContact CD1-CD2 3.76Å; I553-L588 HydrophobicContact CG1-CD2 4.2Å; L572-L588 HydrophobicContact CD1-CD2 4.19Å; F586-L588 HydrophobicContact CE2-CG 4.36Å; L588-Y598 PolarHBondContact O-N 3.42Å; L588-W616 HydrophobicContact CB-CE3 4.47Å; L588-W616 HydrophobicContact CB-CZ3 3.91Å; L588-F617 HydrophobicContact CD1-CB 4.43Å
589	I	94.3	Very high	90.7	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	132.2	173.9	-59.9	180	0	0	0	107.4	I552 I553 L554 T555 M596 A597 A631 L634 V635	I552-I589 HydrophobicContact CG2-CD1 3.77Å; I552-I589 HydrophobicContact CG2-CG1 3.99Å; I553-I589 PolarHBondContact O-N 3.33Å; I553-I589 VanDerWaalsContact O-O 3.08Å; L554-I589 CarbonylContact C-O 3.59Å; L554-I589 VanDerWaalsContact CA-O 3.25Å; L554-I589 WeakPolarHBondContact CA-O 3.21Å; L554-I589 HydrophobicContact CD2-CB 3.64Å; L554-I589 HydrophobicContact CD2-CD1 4.19Å; L554-I589 HydrophobicContact CD2-CG1 4.49Å; L554-I589 HydrophobicContact CD2-CG2 3.5Å; L554-I589 VanDerWaalsContact CD2-CG2 3.5Å; L554-I589 HydrophobicContact CG-CB 4.46Å; T555-I589 PolarHBondContact N-O 3.02Å; I589-M596 CarbonylContact C-O 3.51Å; I589-M596 WeakPolarHBondContact CA-O 3.21Å; I589-M596 WeakPolarHBondContact CG2-O 3.49Å; I589-A597 HydrophobicContact CD1-CB 4.36Å; I589-A597 HydrophobicContact CG1-CB 3.83Å; I589-A631 HydrophobicContact CG2-CB 4.46Å; I589-L634 HydrophobicContact CD1-CD2 4.46Å; I589-L634 HydrophobicContact CG2-CD2 3.95Å; I589-V635 HydrophobicContact CD1-CB 4.4Å; I589-V635 HydrophobicContact CD1-CG2 3.44Å; I589-V635 VanDerWaalsContact CD1-CG2 3.44Å
590	I	94.5	Very high	90.4	Very high	7 Å²	7	37.2 Å²	37.2	4%	0.036	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	144	173.7	60.3	179.6	0	0	0	108.8	T555 L557 S595 M596 W616 F617 H620	T555-I590 WeakPolarHBondContact O-CA 3.46Å; L557-I590 HydrophobicContact CD1-CB 3.86Å; L557-I590 HydrophobicContact CD1-CD1 4.06Å; L557-I590 HydrophobicContact CD1-CG2 3.7Å; L557-I590 HydrophobicContact CG-CB 4.25Å; L557-I590 HydrophobicContact CG-CG2 4.25Å; I590-S595 CarbonylContact O-C 3.43Å; I590-S595 VanDerWaalsContact O-CA 3.3Å; I590-S595 WeakPolarHBondContact O-CA 3.44Å; I590-M596 HydrophobicContact CD1-CB 4.36Å; I590-M596 HydrophobicContact CD1-CE 3.87Å; I590-M596 HydrophobicContact CG1-CB 4Å; I590-M596 HydrophobicContact CG1-CE 4.46Å; I590-M596 PolarHBondContact N-O 3.27Å; I590-M596 PolarHBondContact O-N 2.99Å; I590-W616 HydrophobicContact CD1-CH2 4.05Å; I590-W616 HydrophobicContact CD1-CZ2 4.26Å; I590-W616 HydrophobicContact CG1-CH2 3.89Å; I590-W616 HydrophobicContact CG1-CZ2 4.41Å; I590-W616 HydrophobicContact CG2-CH2 4.08Å; I590-W616 HydrophobicContact CG2-CZ3 4.1Å; I590-F617 HydrophobicContact CG2-CD2 3.7Å; I590-F617 HydrophobicContact CG2-CE2 3.6Å; I590-H620 HydrophobicContact CD1-CB 3.62Å; I590-H620 WeakPolarHBondContact CD1-CD2 3.47Å
591	F	93.4	Very high	90	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.018	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	136.3	177.3	68.6	-86.5	0	0	0	111.4	L554 T555 D556 L557 S595 L628 A631 I653	L554-F591 HydrophobicContact CB-CD1 4.16Å; L554-F591 HydrophobicContact CB-CE1 4Å; T555-F591 VanDerWaalsContact C-CE1 3.48Å; T555-F591 WeakPolarHBondContact O-CD1 3.39Å; T555-F591 PolarHBondContact O-N 3.05Å; D556-F591 HydrophobicContact CB-CE1 4.1Å; D556-F591 HydrophobicContact CB-CE2 3.87Å; D556-F591 HydrophobicContact CB-CZ 3.55Å; L557-F591 PolarHBondContact N-O 3.01Å; F591-S595 VanDerWaalsContact CB-OG 3.29Å; F591-S595 WeakPolarHBondContact CB-OG 3.01Å; F591-L628 HydrophobicContact CE1-CD1 4.05Å; F591-L628 HydrophobicContact CE2-CB 4.27Å; F591-L628 HydrophobicContact CE2-CD1 4.14Å; F591-L628 HydrophobicContact CZ-CD1 3.84Å; F591-A631 HydrophobicContact CB-CB 3.51Å; F591-A631 HydrophobicContact CD1-CB 4.03Å; F591-A631 HydrophobicContact CG-CB 3.85Å; F591-I653 HydrophobicContact CE1-CG2 4.42Å; F591-I653 HydrophobicContact CZ-CG2 4.3Å
592	G	88	Confident	90	Very high	3 Å²	3	40.6 Å²	40.6	3%	0.031	23%	0.23	C	C	.	.	S	Bend	trans	-135.9	-124.5	167.9	0	0	0	0	0	107.3	N594 S625 N627	G592-N594 VanDerWaalsContact C-N 3.27Å; G592-N594 PolarHBondContact N-O 3.06Å; G592-S625 CarbonylContact C-O 3.58Å; G592-S625 WeakPolarHBondContact CA-O 3.45Å; G592-N627 VanDerWaalsContact O-CB 3.24Å; G592-N627 WeakPolarHBondContact O-CB 3.48Å; G592-N627 PolarHBondContact O-N 3.16Å
593	S	86.7	Confident	90.2	Very high	42 Å²	42	37.9 Å²	37.9	29%	0.294	21%	0.212	S	C	.	.	S	Bend	trans	-64.7	-35.1	165.5	-70.3	0	0	0	0	112.5	G624 S625 N627	S593-G624 WeakPolarHBondContact OG-CA 3.38Å; S593-S625 PolarHBondContact N-O 3.36Å; S593-S625 PolarHBondContact OG-N 2.82Å; S593-S625 PolarHBondContact OG-OG 3.41Å; S593-N627 PolarHBondContact O-ND2 2.91Å
594	N	88.3	Confident	90.2	Very high	129 Å²	129	41.6 Å²	41.6	69%	0.69	23%	0.233	S	C	*	.	S	Bend	trans	-116.5	153.2	174.6	-63.3	-41.1	0	0	0	109.6	G592	G592-N594 VanDerWaalsContact C-N 3.27Å; G592-N594 PolarHBondContact N-O 3.06Å
595	S	91.1	Very high	90.3	Very high	24 Å²	24	39.3 Å²	39.3	17%	0.168	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	138.9	177	-63.2	0	0	0	0	111.3	I590 F591 S630 A631	I590-S595 CarbonylContact O-C 3.43Å; I590-S595 VanDerWaalsContact O-CA 3.3Å; I590-S595 WeakPolarHBondContact O-CA 3.44Å; F591-S595 VanDerWaalsContact CB-OG 3.29Å; F591-S595 WeakPolarHBondContact CB-OG 3.01Å; S595-S630 PolarHBondContact OG-OG 2.78Å; S595-A631 WeakPolarHBondContact OG-CA 3.44Å; S595-A631 VanDerWaalsContact OG-CB 3.26Å; S595-A631 WeakPolarHBondContact OG-CB 3.19Å; S595-A631 PolarHBondContact OG-N 3.24Å
596	M	92	Very high	90.1	Very high	92 Å²	92	40.1 Å²	40.1	45%	0.453	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	137.7	179.8	-65.7	-175.2	-73.9	0	0	110.2	I589 I590 W616	I589-M596 CarbonylContact C-O 3.51Å; I589-M596 WeakPolarHBondContact CA-O 3.21Å; I589-M596 WeakPolarHBondContact CG2-O 3.49Å; I590-M596 HydrophobicContact CD1-CB 4.36Å; I590-M596 HydrophobicContact CD1-CE 3.87Å; I590-M596 HydrophobicContact CG1-CB 4Å; I590-M596 HydrophobicContact CG1-CE 4.46Å; I590-M596 PolarHBondContact N-O 3.27Å; I590-M596 PolarHBondContact O-N 2.99Å; M596-W616 HydrophobicContact CB-CZ2 4.42Å
597	A	92.3	Very high	89.9	Confident	27 Å²	27	42 Å²	42	22%	0.223	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	145.8	175.8	0	0	0	0	0	110.3	I589 Q599 W616 L634	I589-A597 HydrophobicContact CD1-CB 4.36Å; I589-A597 HydrophobicContact CG1-CB 3.83Å; A597-Q599 WeakPolarHBondContact CB-O 3.48Å; A597-W616 VanDerWaalsContact C-CZ2 3.5Å; A597-L634 HydrophobicContact CB-CD2 3.68Å; A597-L634 HydrophobicContact CB-CG 4.39Å
598	Y	90.8	Very high	89.8	Confident	40 Å²	40	48.2 Å²	48.2	16%	0.157	27%	0.267	C	S	.	.	S	Bend	trans	-61.8	-46.5	175	170.4	-126.9	0	0	0	111.7	L588 I603 A612 W616	L588-Y598 PolarHBondContact O-N 3.42Å; Y598-I603 HydrophobicContact CD1-CD1 3.35Å; Y598-I603 HydrophobicContact CE1-CD1 3.3Å; Y598-A612 WeakPolarHBondContact OH-CB 3.28Å; Y598-W616 HydrophobicContact CD2-CB 3.49Å; Y598-W616 VanDerWaalsContact CD2-CB 3.49Å; Y598-W616 AromaticContact CD2-CD1 3.81Å; Y598-W616 AromaticContact CD2-CD2 3.61Å; Y598-W616 HydrophobicContact CD2-CD2 3.61Å; Y598-W616 HydrophobicContact CD2-CE3 4.08Å; Y598-W616 AromaticContact CD2-CG 3.34Å; Y598-W616 HydrophobicContact CD2-CG 3.34Å; Y598-W616 HydrophobicContact CE2-CB 3.69Å; Y598-W616 HydrophobicContact CE2-CG 4.01Å; Y598-W616 HydrophobicContact CG-CD2 4.09Å; Y598-W616 HydrophobicContact CG-CE3 4.14Å; Y598-W616 HydrophobicContact CG-CG 4.28Å
599	Q	88.6	Confident	89.7	Confident	96 Å²	96	49.3 Å²	49.3	45%	0.449	27%	0.274	S	S	.	.	S	Bend	trans	-131.9	157.3	169.5	-70.5	-66.4	-30.7	0	0	109.9	N587 A597 N601 I603	N587-Q599 PolarHBondContact ND2-O 3.3Å; N587-Q599 PolarHBondContact OD1-N 2.85Å; A597-Q599 WeakPolarHBondContact CB-O 3.48Å; Q599-N601 VanDerWaalsContact C-N 3.31Å; Q599-N601 PolarHBondContact O-N 2.74Å; Q599-I603 HydrophobicContact CB-CD1 3.65Å; Q599-I603 HydrophobicContact CB-CG1 3.84Å; Q599-I603 HydrophobicContact CG-CD1 3.26Å; Q599-I603 HydrophobicContact CG-CG1 3.82Å
600	S	84.2	Confident	89.6	Confident	76 Å²	76	49.3 Å²	49.3	53%	0.531	27%	0.274	S	S	.	.	S	Bend	trans	-67.4	-32.9	176.6	-50.9	0	0	0	0	112.4	S638 Q639	S600-S638 CarbonylContact O-C 3.42Å; S600-S638 WeakPolarHBondContact O-CB 3.42Å; S600-S638 VanDerWaalsContact O-O 3.06Å; S600-S638 PolarHBondContact O-OG 3.3Å; S600-S638 VanDerWaalsContact O-OG 3.14Å; S600-Q639 PolarHBondContact O-NE2 3.44Å
601	N	85	Confident	89.4	Confident	70 Å²	70	50.2 Å²	50.2	37%	0.374	28%	0.278	S	S	.	.	S	Bend	trans	-116.1	161.8	-178.3	-64.2	-57.2	0	0	0	111.8	Q599 S638 S640	Q599-N601 VanDerWaalsContact C-N 3.31Å; Q599-N601 PolarHBondContact O-N 2.74Å; N601-S638 PolarHBondContact OD1-O 2.79Å; N601-S640 PolarHBondContact OD1-N 2.91Å; N601-S640 VanDerWaalsContact OD1-N 3.15Å
602	L	86.7	Confident	89.4	Confident	15 Å²	15	51.9 Å²	51.9	8%	0.079	29%	0.292	C	S	.	.			trans	-56.7	136	169	-76.9	167.3	0	0	0	111.6	N550 I552 K585 N587 L649	N550-L602 HydrophobicContact CB-CD1 4.19Å; I552-L602 HydrophobicContact CD1-CD2 4.08Å; I552-L602 HydrophobicContact CG1-CD2 3.75Å; K585-L602 HydrophobicContact CB-CB 4.05Å; K585-L602 HydrophobicContact CB-CD2 4.49Å; K585-L602 HydrophobicContact CD-CB 4.06Å; N587-L602 HydrophobicContact CB-CD2 4.35Å; L602-L649 HydrophobicContact CD1-CD1 4.4Å; L602-L649 HydrophobicContact CD2-CD1 4.35Å
603	I	89.6	Confident	89.6	Confident	29 Å²	29	51.7 Å²	51.7	15%	0.149	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	139.1	-173.9	-44.8	166	0	0	0	109.4	K585 F586 Y598 Q599 V605 T609	K585-I603 CarbonylContact C-O 3.57Å; K585-I603 WeakPolarHBondContact CA-O 3.2Å; K585-I603 WeakPolarHBondContact CB-O 3.34Å; F586-I603 PolarHBondContact N-O 3.22Å; F586-I603 PolarHBondContact O-N 2.81Å; Y598-I603 HydrophobicContact CD1-CD1 3.35Å; Y598-I603 HydrophobicContact CE1-CD1 3.3Å; Q599-I603 HydrophobicContact CB-CD1 3.65Å; Q599-I603 HydrophobicContact CB-CG1 3.84Å; Q599-I603 HydrophobicContact CG-CD1 3.26Å; Q599-I603 HydrophobicContact CG-CG1 3.82Å; I603-V605 PolarHBondContact O-N 2.98Å; I603-T609 HydrophobicContact CG2-CG2 3.53Å
604	D	90.1	Very high	89.9	Confident	100 Å²	100	49.7 Å²	49.7	54%	0.535	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	136.6	172.4	-62.5	-42.1	0	0	0	111.5	K585 N606 T609	K585-D604 WeakPolarHBondContact CE-OD1 3.14Å; K585-D604 WeakPolarHBondContact CG-OD1 3.34Å; D604-N606 PolarHBondContact O-N 3.07Å; D604-T609 PolarHBondContact O-OG1 3.44Å
605	V	89.7	Confident	90.1	Very high	24 Å²	24	46.7 Å²	46.7	15%	0.145	26%	0.261	C	S	.	.			trans	-71.4	112.6	177.5	178.1	0	0	0	0	109.2	I580 K583 S584 F586 I603 L610	I580-V605 HydrophobicContact CG2-CG2 4.18Å; K583-V605 HydrophobicContact CB-CG2 4.17Å; K583-V605 WeakPolarHBondContact O-CB 3.34Å; K583-V605 WeakPolarHBondContact O-CG2 3.39Å; S584-V605 PolarHBondContact O-N 3.49Å; F586-V605 HydrophobicContact CB-CG2 4.23Å; F586-V605 HydrophobicContact CD1-CB 4.37Å; F586-V605 HydrophobicContact CD1-CG2 3.52Å; F586-V605 HydrophobicContact CE1-CG2 4.3Å; F586-V605 HydrophobicContact CG-CG2 4.21Å; I603-V605 PolarHBondContact O-N 2.98Å; V605-L610 HydrophobicContact CG1-CD1 3.78Å; V605-L610 HydrophobicContact CG1-CD2 4.35Å; V605-L610 HydrophobicContact CG1-CG 4.09Å
606	N	87.4	Confident	90.2	Very high	64 Å²	64	47.8 Å²	47.8	34%	0.342	26%	0.261	S	S	.	.			trans	-142.7	167.8	168.8	66.6	62.3	0	0	0	109.5	D604 N608 T609 L610	D604-N606 PolarHBondContact O-N 3.07Å; N606-N608 PolarHBondContact O-N 3.35Å; N606-N608 WeakPolarHBondContact OD1-CA 3.33Å; N606-N608 WeakPolarHBondContact OD1-CB 3.4Å; N606-N608 PolarHBondContact OD1-N 3.38Å; N606-T609 PolarHBondContact N-OG1 3.49Å; N606-T609 WeakPolarHBondContact ND2-CG2 3.22Å; N606-T609 PolarHBondContact ND2-OG1 2.77Å; N606-T609 PolarHBondContact O-N 3.32Å; N606-T609 PolarHBondContact O-OG1 2.82Å; N606-T609 VanDerWaalsContact O-OG1 3.08Å; N606-T609 WeakPolarHBondContact OD1-CG2 3.49Å; N606-T609 PolarHBondContact OD1-N 3.2Å; N606-T609 PolarHBondContact OD1-OG1 3.32Å; N606-L610 WeakPolarHBondContact O-CB 3.5Å; N606-L610 WeakPolarHBondContact O-CG 3.16Å; N606-L610 PolarHBondContact O-N 3.36Å
607	V	88.6	Confident	90.2	Very high	41 Å²	41	43.4 Å²	43.4	25%	0.248	24%	0.24	C	C	.	.	H	α-helix	trans	-58	-39.7	-177.1	178.1	0	0	0	0	111.3	L427 L430 Q611	L427-V607 HydrophobicContact CB-CG2 4.49Å; L427-V607 HydrophobicContact CD1-CB 4.43Å; L427-V607 HydrophobicContact CD1-CG1 4.1Å; L430-V607 HydrophobicContact CB-CG2 3.84Å; L430-V607 HydrophobicContact CD1-CG2 4.15Å; V607-Q611 VanDerWaalsContact O-CB 3.23Å; V607-Q611 WeakPolarHBondContact O-CB 3.33Å; V607-Q611 PolarHBondContact O-N 3.02Å
608	N	89.8	Confident	90.1	Very high	129 Å²	129	44.7 Å²	44.7	69%	0.69	24%	0.24	S	C	*	.	H	α-helix	trans	-72.6	-39.8	-177.9	-61	-26.6	0	0	0	111.8	N606 A612	N606-N608 PolarHBondContact O-N 3.35Å; N606-N608 WeakPolarHBondContact OD1-CA 3.33Å; N606-N608 WeakPolarHBondContact OD1-CB 3.4Å; N606-N608 PolarHBondContact OD1-N 3.38Å; N608-A612 WeakPolarHBondContact O-CB 3.49Å; N608-A612 PolarHBondContact O-N 3.48Å
609	T	91.9	Very high	90	Very high	23 Å²	23	47.8 Å²	47.8	14%	0.141	26%	0.263	C	S	.	.	H	α-helix	trans	-72.3	-40.8	-179.4	54	0	0	0	0	111.3	I603 D604 N606 S613	I603-T609 HydrophobicContact CG2-CG2 3.53Å; D604-T609 PolarHBondContact O-OG1 3.44Å; N606-T609 PolarHBondContact N-OG1 3.49Å; N606-T609 WeakPolarHBondContact ND2-CG2 3.22Å; N606-T609 PolarHBondContact ND2-OG1 2.77Å; N606-T609 PolarHBondContact O-N 3.32Å; N606-T609 PolarHBondContact O-OG1 2.82Å; N606-T609 VanDerWaalsContact O-OG1 3.08Å; N606-T609 WeakPolarHBondContact OD1-CG2 3.49Å; N606-T609 PolarHBondContact OD1-N 3.2Å; N606-T609 PolarHBondContact OD1-OG1 3.32Å; T609-S613 VanDerWaalsContact O-CB 3.26Å; T609-S613 WeakPolarHBondContact O-CB 3.47Å; T609-S613 PolarHBondContact O-N 3.31Å; T609-S613 PolarHBondContact O-OG 3.21Å
610	L	92.4	Very high	90.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.7	-49	173	-73.1	173.4	0	0	0	111.1	L425 L427 L430 L576 I580 F586 V605 N606 A612 S613 W614	L425-L610 HydrophobicContact CD1-CB 3.98Å; L427-L610 HydrophobicContact CD1-CB 3.89Å; L427-L610 HydrophobicContact CD1-CD1 3.85Å; L427-L610 HydrophobicContact CD2-CD1 3.92Å; L430-L610 HydrophobicContact CD1-CD1 3.83Å; L576-L610 HydrophobicContact CD2-CD2 3.81Å; I580-L610 HydrophobicContact CB-CD2 4.32Å; I580-L610 HydrophobicContact CG2-CD2 3.72Å; F586-L610 HydrophobicContact CD1-CD2 4.29Å; F586-L610 HydrophobicContact CD2-CD2 4.4Å; F586-L610 HydrophobicContact CE1-CD2 3.78Å; F586-L610 HydrophobicContact CE1-CG 4.23Å; F586-L610 HydrophobicContact CE2-CD2 3.92Å; F586-L610 HydrophobicContact CZ-CD2 3.6Å; F586-L610 HydrophobicContact CZ-CG 4.22Å; V605-L610 HydrophobicContact CG1-CD1 3.78Å; V605-L610 HydrophobicContact CG1-CD2 4.35Å; V605-L610 HydrophobicContact CG1-CG 4.09Å; N606-L610 WeakPolarHBondContact O-CB 3.5Å; N606-L610 WeakPolarHBondContact O-CG 3.16Å; N606-L610 PolarHBondContact O-N 3.36Å; L610-A612 PolarHBondContact O-N 3.31Å; L610-S613 PolarHBondContact O-N 3.27Å; L610-S613 PolarHBondContact O-OG 3.35Å; L610-W614 WeakPolarHBondContact O-CB 3.45Å; L610-W614 PolarHBondContact O-N 3.2Å
611	Q	91.1	Very high	90.1	Very high	27 Å²	27	47.2 Å²	47.2	13%	0.126	26%	0.256	C	S	.	.	H	α-helix	trans	-61.9	-45.6	178.8	-175.4	58.2	56.8	0	0	111.8	K424 V607 S613 W614 D615	K424-Q611 VanDerWaalsContact CA-OE1 3.3Å; V607-Q611 VanDerWaalsContact O-CB 3.23Å; V607-Q611 WeakPolarHBondContact O-CB 3.33Å; V607-Q611 PolarHBondContact O-N 3.02Å; Q611-S613 VanDerWaalsContact C-N 3.35Å; Q611-S613 PolarHBondContact O-N 3.16Å; Q611-W614 WeakPolarHBondContact O-CB 3.23Å; Q611-W614 PolarHBondContact O-N 2.89Å; Q611-D615 PolarHBondContact NE2-OD1 2.87Å; Q611-D615 VanDerWaalsContact NE2-OD1 3.11Å; Q611-D615 PolarHBondContact NE2-OD2 2.74Å; Q611-D615 VanDerWaalsContact NE2-OD2 3.11Å; Q611-D615 VanDerWaalsContact O-CG 3.28Å; Q611-D615 PolarHBondContact O-N 3.18Å
612	A	92.8	Very high	90.2	Very high	38 Å²	38	44.8 Å²	44.8	31%	0.314	25%	0.245	S	C	.	.	H	α-helix	trans	-66	-35.5	178.3	0	0	0	0	0	112.7	Y598 N608 L610 W614 D615 W616	Y598-A612 WeakPolarHBondContact OH-CB 3.28Å; N608-A612 WeakPolarHBondContact O-CB 3.49Å; N608-A612 PolarHBondContact O-N 3.48Å; L610-A612 PolarHBondContact O-N 3.31Å; A612-W614 VanDerWaalsContact C-N 3.33Å; A612-D615 PolarHBondContact O-N 3.1Å; A612-W616 WeakPolarHBondContact O-CB 3.37Å; A612-W616 PolarHBondContact O-N 3.29Å
613	S	93.4	Very high	90.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66.5	-36	173.8	75	0	0	0	0	112.3	F586 T609 L610 Q611 F617	F586-S613 WeakPolarHBondContact CE2-OG 3.31Å; F586-S613 WeakPolarHBondContact CZ-OG 3.3Å; T609-S613 VanDerWaalsContact O-CB 3.26Å; T609-S613 WeakPolarHBondContact O-CB 3.47Å; T609-S613 PolarHBondContact O-N 3.31Å; T609-S613 PolarHBondContact O-OG 3.21Å; L610-S613 PolarHBondContact O-N 3.27Å; L610-S613 PolarHBondContact O-OG 3.35Å; Q611-S613 VanDerWaalsContact C-N 3.35Å; Q611-S613 PolarHBondContact O-N 3.16Å; S613-F617 WeakPolarHBondContact O-CB 3.32Å; S613-F617 PolarHBondContact O-N 3.1Å
614	W	92.5	Very high	89.8	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-69.4	-42.7	174.7	178.4	-121.1	0	0	0	111.7	L421 G423 L425 H569 L572 R573 L576 L610 Q611 A612 W616 F617 K618	L421-W614 WeakPolarHBondContact O-CZ2 3.27Å; G423-W614 PolarHBondContact O-NE1 3Å; L425-W614 HydrophobicContact CD1-CB 3.88Å; L425-W614 HydrophobicContact CD1-CG 4.34Å; L425-W614 HydrophobicContact CD2-CB 4.22Å; L425-W614 HydrophobicContact CD2-CD2 4.15Å; L425-W614 HydrophobicContact CD2-CG 3.79Å; L425-W614 HydrophobicContact CG-CB 4.08Å; L425-W614 HydrophobicContact CG-CG 4.03Å; H569-W614 HydrophobicContact CB-CH2 4.01Å; H569-W614 WeakPolarHBondContact O-CH2 3.4Å; L572-W614 HydrophobicContact CB-CZ3 4.36Å; L572-W614 HydrophobicContact CD2-CZ3 4.22Å; L572-W614 HydrophobicContact CG-CZ3 4.31Å; R573-W614 HydrophobicContact CB-CH2 4.04Å; R573-W614 HydrophobicContact CB-CZ2 4.21Å; R573-W614 HydrophobicContact CB-CZ3 4.35Å; L576-W614 HydrophobicContact CD1-CB 4.22Å; L576-W614 HydrophobicContact CD1-CD2 4.42Å; L576-W614 HydrophobicContact CD1-CE3 3.78Å; L610-W614 WeakPolarHBondContact O-CB 3.45Å; L610-W614 PolarHBondContact O-N 3.2Å; Q611-W614 WeakPolarHBondContact O-CB 3.23Å; Q611-W614 PolarHBondContact O-N 2.89Å; A612-W614 VanDerWaalsContact C-N 3.33Å; W614-W616 VanDerWaalsContact C-N 3.33Å; W614-W616 PolarHBondContact O-N 3.41Å; W614-F617 HydrophobicContact CE3-CB 4.48Å; W614-F617 HydrophobicContact CE3-CD1 4.28Å; W614-F617 HydrophobicContact CH2-CD1 4.47Å; W614-F617 AromaticContact CZ3-CD1 3.76Å; W614-F617 HydrophobicContact CZ3-CD1 3.76Å; W614-F617 HydrophobicContact CZ3-CE1 4.32Å; W614-F617 PolarHBondContact O-N 3.02Å; W614-K618 HydrophobicContact CD2-CD 4.47Å; W614-K618 HydrophobicContact CD2-CG 4.33Å; W614-K618 HydrophobicContact CH2-CG 4.37Å; W614-K618 HydrophobicContact CZ2-CD 3.97Å; W614-K618 HydrophobicContact CZ2-CG 3.91Å; W614-K618 WeakPolarHBondContact O-CE 3.37Å; W614-K618 WeakPolarHBondContact O-CG 3.39Å; W614-K618 PolarHBondContact O-N 2.96Å
615	D	91.5	Very high	89.5	Confident	66 Å²	66	45.4 Å²	45.4	35%	0.353	26%	0.257	S	S	.	.	H	α-helix	trans	-62.9	-40	175.1	-66.7	-33.3	0	0	0	111.5	Q611 A612 K618 T619	Q611-D615 PolarHBondContact NE2-OD1 2.87Å; Q611-D615 VanDerWaalsContact NE2-OD1 3.11Å; Q611-D615 PolarHBondContact NE2-OD2 2.74Å; Q611-D615 VanDerWaalsContact NE2-OD2 3.11Å; Q611-D615 VanDerWaalsContact O-CG 3.28Å; Q611-D615 PolarHBondContact O-N 3.18Å; A612-D615 PolarHBondContact O-N 3.1Å; D615-K618 WeakPolarHBondContact OD1-CE 3.35Å; D615-K618 IonicContact OD1-NZ 3.81Å; D615-K618 PolarHBondContact OD1-NZ 2.76Å; D615-T619 WeakPolarHBondContact O-CG2 3.44Å
616	W	93.8	Very high	89.4	Confident	47 Å²	47	44.9 Å²	44.9	18%	0.178	25%	0.253	C	S	.	.	H	α-helix	trans	-64.2	-43.1	172	173.5	87.9	0	0	0	113	L588 I590 M596 A597 Y598 A612 W614 K618 T619 H620	L588-W616 HydrophobicContact CB-CE3 4.47Å; L588-W616 HydrophobicContact CB-CZ3 3.91Å; I590-W616 HydrophobicContact CD1-CH2 4.05Å; I590-W616 HydrophobicContact CD1-CZ2 4.26Å; I590-W616 HydrophobicContact CG1-CH2 3.89Å; I590-W616 HydrophobicContact CG1-CZ2 4.41Å; I590-W616 HydrophobicContact CG2-CH2 4.08Å; I590-W616 HydrophobicContact CG2-CZ3 4.1Å; M596-W616 HydrophobicContact CB-CZ2 4.42Å; A597-W616 VanDerWaalsContact C-CZ2 3.5Å; Y598-W616 HydrophobicContact CD2-CB 3.49Å; Y598-W616 VanDerWaalsContact CD2-CB 3.49Å; Y598-W616 AromaticContact CD2-CD1 3.81Å; Y598-W616 AromaticContact CD2-CD2 3.61Å; Y598-W616 HydrophobicContact CD2-CD2 3.61Å; Y598-W616 HydrophobicContact CD2-CE3 4.08Å; Y598-W616 AromaticContact CD2-CG 3.34Å; Y598-W616 HydrophobicContact CD2-CG 3.34Å; Y598-W616 HydrophobicContact CE2-CB 3.69Å; Y598-W616 HydrophobicContact CE2-CG 4.01Å; Y598-W616 HydrophobicContact CG-CD2 4.09Å; Y598-W616 HydrophobicContact CG-CE3 4.14Å; Y598-W616 HydrophobicContact CG-CG 4.28Å; A612-W616 WeakPolarHBondContact O-CB 3.37Å; A612-W616 PolarHBondContact O-N 3.29Å; W614-W616 VanDerWaalsContact C-N 3.33Å; W614-W616 PolarHBondContact O-N 3.41Å; W616-K618 VanDerWaalsContact C-N 3.31Å; W616-K618 PolarHBondContact O-N 2.98Å; W616-T619 PolarHBondContact O-N 3.19Å; W616-T619 PolarHBondContact O-OG1 3.3Å; W616-H620 AromaticContact CD1-CE1 3.74Å; W616-H620 AromaticContact CD2-CE1 3.84Å; W616-H620 AromaticContact CE2-CE1 3.37Å; W616-H620 AromaticContact CZ2-CE1 3.79Å; W616-H620 AromaticContact NE1-CE1 3.32Å; W616-H620 PolarHBondContact NE1-CE1 2.93Å; W616-H620 VanDerWaalsContact NE1-CE1 3.32Å; W616-H620 AromaticContact NE1-NE2 4Å; W616-H620 PolarHBondContact O-CE1 3.14Å; W616-H620 VanDerWaalsContact O-CE1 3.32Å; W616-H620 PolarHBondContact O-ND1 2.98Å
617	F	92.3	Very high	89.5	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62	-42.3	179.9	-176.7	-94.3	0	0	0	111.3	T555 L557 I568 H569 L572 L588 I590 S613 W614 T619 H620	T555-F617 HydrophobicContact CG2-CE2 3.77Å; T555-F617 HydrophobicContact CG2-CZ 3.73Å; L557-F617 HydrophobicContact CD1-CE2 4.19Å; L557-F617 HydrophobicContact CD1-CZ 4.4Å; L557-F617 HydrophobicContact CD2-CE2 4.47Å; L557-F617 HydrophobicContact CD2-CZ 4.04Å; I568-F617 HydrophobicContact CG2-CE1 4.38Å; I568-F617 HydrophobicContact CG2-CZ 3.88Å; H569-F617 AromaticContact CD2-CE1 3.55Å; H569-F617 AromaticContact NE2-CE1 3.86Å; L572-F617 HydrophobicContact CD2-CB 4.44Å; L572-F617 HydrophobicContact CD2-CD1 3.57Å; L572-F617 HydrophobicContact CD2-CD2 3.52Å; L572-F617 HydrophobicContact CD2-CE1 3.52Å; L572-F617 HydrophobicContact CD2-CE2 3.48Å; L572-F617 VanDerWaalsContact CD2-CE2 3.48Å; L572-F617 HydrophobicContact CD2-CG 3.56Å; L572-F617 HydrophobicContact CD2-CZ 3.49Å; L572-F617 VanDerWaalsContact CD2-CZ 3.49Å; L588-F617 HydrophobicContact CD1-CB 4.43Å; I590-F617 HydrophobicContact CG2-CD2 3.7Å; I590-F617 HydrophobicContact CG2-CE2 3.6Å; S613-F617 WeakPolarHBondContact O-CB 3.32Å; S613-F617 PolarHBondContact O-N 3.1Å; W614-F617 HydrophobicContact CE3-CB 4.48Å; W614-F617 HydrophobicContact CE3-CD1 4.28Å; W614-F617 HydrophobicContact CH2-CD1 4.47Å; W614-F617 AromaticContact CZ3-CD1 3.76Å; W614-F617 HydrophobicContact CZ3-CD1 3.76Å; W614-F617 HydrophobicContact CZ3-CE1 4.32Å; W614-F617 PolarHBondContact O-N 3.02Å; F617-T619 PolarHBondContact O-N 2.8Å; F617-H620 PolarHBondContact O-N 3.05Å
618	K	88.8	Confident	89.7	Confident	53 Å²	53	41.8 Å²	41.8	23%	0.23	24%	0.235	C	C	.	.	H	α-helix	trans	-61.4	-22.3	178	-73.9	-177.2	-66.7	171.6	0	114.7	H422 W614 D615 W616 H620	H422-K618 PolarHBondContact O-NZ 3.4Å; W614-K618 HydrophobicContact CD2-CD 4.47Å; W614-K618 HydrophobicContact CD2-CG 4.33Å; W614-K618 HydrophobicContact CH2-CG 4.37Å; W614-K618 HydrophobicContact CZ2-CD 3.97Å; W614-K618 HydrophobicContact CZ2-CG 3.91Å; W614-K618 WeakPolarHBondContact O-CE 3.37Å; W614-K618 WeakPolarHBondContact O-CG 3.39Å; W614-K618 PolarHBondContact O-N 2.96Å; D615-K618 WeakPolarHBondContact OD1-CE 3.35Å; D615-K618 IonicContact OD1-NZ 3.81Å; D615-K618 PolarHBondContact OD1-NZ 2.76Å; W616-K618 VanDerWaalsContact C-N 3.31Å; W616-K618 PolarHBondContact O-N 2.98Å; K618-H620 PolarHBondContact O-N 3.34Å
619	T	89.8	Confident	89.8	Confident	105 Å²	105	36.5 Å²	36.5	64%	0.644	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-4.3	179.4	60.9	0	0	0	0	113.7	D615 W616 F617	D615-T619 WeakPolarHBondContact O-CG2 3.44Å; W616-T619 PolarHBondContact O-N 3.19Å; W616-T619 PolarHBondContact O-OG1 3.3Å; F617-T619 PolarHBondContact O-N 2.8Å
620	H	89.7	Confident	89.8	Confident	34 Å²	34	36.8 Å²	36.8	16%	0.157	21%	0.209	C	C	.	.			trans	-104.2	133	-175.8	-65.1	85.2	0	0	0	111.7	L557 I590 W616 F617 K618	L557-H620 HydrophobicContact CD1-CB 3.87Å; I590-H620 HydrophobicContact CD1-CB 3.62Å; I590-H620 WeakPolarHBondContact CD1-CD2 3.47Å; W616-H620 AromaticContact CD1-CE1 3.74Å; W616-H620 AromaticContact CD2-CE1 3.84Å; W616-H620 AromaticContact CE2-CE1 3.37Å; W616-H620 AromaticContact CZ2-CE1 3.79Å; W616-H620 AromaticContact NE1-CE1 3.32Å; W616-H620 PolarHBondContact NE1-CE1 2.93Å; W616-H620 VanDerWaalsContact NE1-CE1 3.32Å; W616-H620 AromaticContact NE1-NE2 4Å; W616-H620 PolarHBondContact O-CE1 3.14Å; W616-H620 VanDerWaalsContact O-CE1 3.32Å; W616-H620 PolarHBondContact O-ND1 2.98Å; F617-H620 PolarHBondContact O-N 3.05Å; K618-H620 PolarHBondContact O-N 3.34Å
621	N	85.6	Confident	89.8	Confident	126 Å²	126	36.8 Å²	36.8	67%	0.674	21%	0.209	S	C	*	.			trans	-102.7	154.8	177.4	-67.4	-33.1	0	0	0	111.3	N623	N621-N623 PolarHBondContact O-N 3.36Å; N621-N623 PolarHBondContact O-ND2 3.26Å
622	C	86.6	Confident	89.9	Confident	20 Å²	20	35.5 Å²	35.5	14%	0.135	20%	0.203	C	C	.	.			trans	-60.5	126.9	171.7	-86.7	0	0	0	0	112	L557 S558 T562 M565	L557-C622 CarbonylContact O-C 3.58Å; L557-C622 WeakPolarHBondContact O-CA 3.41Å; S558-C622 WeakPolarHBondContact O-CB 3.29Å; S558-C622 PolarHBondContact O-SG 2.71Å; T562-C622 VanDerWaalsContact OG1-CB 3.31Å; T562-C622 WeakPolarHBondContact OG1-CB 3.38Å; M565-C622 HydrophobicContact CG-CB 4.36Å; M565-C622 WeakPolarHBondContact CG-SG 3.41Å; M565-C622 HydrophobicContact SD-CB 4.48Å; M565-C622 PolarHBondContact SD-SG 3.04Å
623	N	83.6	Confident	89.8	Confident	95 Å²	95	39.2 Å²	39.2	51%	0.508	21%	0.209	S	C	.	.			trans	-156.9	153.6	172	59.2	62.2	0	0	0	112.7	L557 N621	L557-N623 PolarHBondContact O-N 3.28Å; N621-N623 PolarHBondContact O-N 3.36Å; N621-N623 PolarHBondContact O-ND2 3.26Å
624	G	84.1	Confident	89.6	Confident	26 Å²	26	41.5 Å²	41.5	27%	0.268	22%	0.221	S	C	.	.	S	Bend	trans	72.3	-159.3	171.3	0	0	0	0	0	114.9	E559 S593	E559-G624 WeakPolarHBondContact CB-O 3.35Å; E559-G624 PolarHBondContact N-O 3.26Å; S593-G624 WeakPolarHBondContact OG-CA 3.38Å
625	S	84.1	Confident	89.4	Confident	36 Å²	36	41.5 Å²	41.5	25%	0.252	22%	0.221	S	C	.	.			trans	-91.2	-165.1	-174.7	69	0	0	0	0	112.3	S558 G592 S593 D660	S558-S625 WeakPolarHBondContact CB-O 3.38Å; G592-S625 CarbonylContact C-O 3.58Å; G592-S625 WeakPolarHBondContact CA-O 3.45Å; S593-S625 PolarHBondContact N-O 3.36Å; S593-S625 PolarHBondContact OG-N 2.82Å; S593-S625 PolarHBondContact OG-OG 3.41Å; S625-D660 WeakPolarHBondContact CB-OD1 3.37Å; S625-D660 WeakPolarHBondContact CB-OD2 3.49Å; S625-D660 PolarHBondContact OG-OD2 2.8Å
626	R	87.6	Confident	89.1	Confident	12 Å²	12	39.1 Å²	39.1	5%	0.045	21%	0.208	C	C	.	.			trans	-117	70.3	-178.2	-68.3	-175.3	-177.8	98.5	-11.9	112.4	D556 S558 Y560 L628 S656 I658 P659 D660	D556-R626 WeakPolarHBondContact OD2-CD 3.47Å; D556-R626 IonicContact OD2-CZ 3.22Å; D556-R626 IonicContact OD2-NE 3.85Å; D556-R626 PolarHBondContact OD2-NE 3.49Å; S558-R626 WeakPolarHBondContact OG-CG 3.29Å; S558-R626 PolarHBondContact OG-NE 3.08Å; Y560-R626 VanDerWaalsContact CG-NH1 3.33Å; R626-L628 VanDerWaalsContact C-N 3.29Å; R626-L628 PolarHBondContact O-N 3.29Å; R626-S656 PolarHBondContact NH2-OG 3.03Å; R626-I658 VanDerWaalsContact CD-O 3.31Å; R626-I658 WeakPolarHBondContact CD-O 3.47Å; R626-P659 CarbonylContact O-C 2.84Å; R626-P659 WeakPolarHBondContact O-CA 3.47Å; R626-D660 PolarHBondContact N-OD1 2.69Å; R626-D660 PolarHBondContact N-OD2 3.35Å; R626-D660 PolarHBondContact O-N 3.27Å
627	N	90.3	Very high	88.6	Confident	39 Å²	39	43.2 Å²	43.2	21%	0.209	23%	0.229	C	C	.	.			trans	-81.5	68.2	-177.1	-169.1	-9	0	0	0	112.6	G592 S593 L629 S630 A631 D660 Q661	G592-N627 VanDerWaalsContact O-CB 3.24Å; G592-N627 WeakPolarHBondContact O-CB 3.48Å; G592-N627 PolarHBondContact O-N 3.16Å; S593-N627 PolarHBondContact O-ND2 2.91Å; N627-L629 VanDerWaalsContact C-N 3.26Å; N627-L629 PolarHBondContact O-N 2.95Å; N627-S630 VanDerWaalsContact CG-OG 3.27Å; N627-S630 PolarHBondContact O-N 2.93Å; N627-S630 PolarHBondContact O-OG 2.54Å; N627-S630 WeakPolarHBondContact OD1-CB 3.48Å; N627-S630 PolarHBondContact OD1-N 3.46Å; N627-S630 PolarHBondContact OD1-OG 3.31Å; N627-A631 PolarHBondContact O-N 3.14Å; N627-D660 PolarHBondContact N-OD2 2.96Å; N627-Q661 PolarHBondContact OD1-NE2 3.01Å; N627-Q661 PolarHBondContact OD1-OE1 3.39Å
628	L	91.8	Very high	87.5	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-59.5	-35	-178.1	-178.2	58.9	0	0	0	112.7	F591 R626 S630 A631 L632 I653 P659 I666	F591-L628 HydrophobicContact CE1-CD1 4.05Å; F591-L628 HydrophobicContact CE2-CB 4.27Å; F591-L628 HydrophobicContact CE2-CD1 4.14Å; F591-L628 HydrophobicContact CZ-CD1 3.84Å; R626-L628 VanDerWaalsContact C-N 3.29Å; R626-L628 PolarHBondContact O-N 3.29Å; L628-S630 VanDerWaalsContact C-N 3.3Å; L628-S630 PolarHBondContact O-N 2.94Å; L628-A631 WeakPolarHBondContact O-CB 3.45Å; L628-A631 PolarHBondContact O-N 3.26Å; L628-A631 VanDerWaalsContact O-N 3.12Å; L628-L632 HydrophobicContact CD1-CG 4.42Å; L628-L632 HydrophobicContact CG-CD1 4.18Å; L628-L632 HydrophobicContact CG-CG 4.42Å; L628-L632 PolarHBondContact O-N 2.98Å; L628-I653 HydrophobicContact CD1-CD1 4.08Å; L628-I653 HydrophobicContact CD1-CG1 4.23Å; L628-I653 HydrophobicContact CD1-CG2 3.87Å; L628-I653 HydrophobicContact CD2-CD1 4.17Å; L628-I653 HydrophobicContact CD2-CG2 4.37Å; L628-P659 HydrophobicContact CB-CB 3.8Å; L628-P659 HydrophobicContact CB-CG 3.98Å; L628-P659 HydrophobicContact CD2-CB 4.25Å; L628-P659 HydrophobicContact CD2-CG 3.51Å; L628-P659 HydrophobicContact CG-CG 4.4Å; L628-I666 HydrophobicContact CB-CD1 4.46Å; L628-I666 HydrophobicContact CD2-CD1 4.23Å
629	L	92.2	Very high	86.4	Confident	17 Å²	17	42.9 Å²	42.9	9%	0.089	23%	0.232	C	C	.	.	H	α-helix	trans	-62.7	-37.9	179.4	-175.7	63.4	0	0	0	111.8	N627 A631 L632 R633 Q661 V665 Y669	N627-L629 VanDerWaalsContact C-N 3.26Å; N627-L629 PolarHBondContact O-N 2.95Å; L629-A631 VanDerWaalsContact C-N 3.28Å; L629-A631 PolarHBondContact O-N 2.93Å; L629-L632 PolarHBondContact O-N 3.36Å; L629-R633 WeakPolarHBondContact O-CG 3.49Å; L629-R633 PolarHBondContact O-N 3.22Å; L629-Q661 HydrophobicContact CB-CG 3.94Å; L629-Q661 HydrophobicContact CD2-CG 4.16Å; L629-Q661 VanDerWaalsContact N-OE1 3.15Å; L629-V665 HydrophobicContact CD2-CG1 4.24Å; L629-Y669 HydrophobicContact CD1-CD1 3.69Å; L629-Y669 HydrophobicContact CD1-CD2 4.31Å; L629-Y669 HydrophobicContact CD1-CE1 4.29Å; L629-Y669 HydrophobicContact CD1-CG 3.71Å
630	S	92.3	Very high	85.1	Confident	29 Å²	29	40.1 Å²	40.1	20%	0.203	22%	0.217	C	C	.	.	H	α-helix	trans	-64.1	-35.8	175.2	72.3	0	0	0	0	112.3	S595 N627 L628 R633 L634	S595-S630 PolarHBondContact OG-OG 2.78Å; N627-S630 VanDerWaalsContact CG-OG 3.27Å; N627-S630 PolarHBondContact O-N 2.93Å; N627-S630 PolarHBondContact O-OG 2.54Å; N627-S630 WeakPolarHBondContact OD1-CB 3.48Å; N627-S630 PolarHBondContact OD1-N 3.46Å; N627-S630 PolarHBondContact OD1-OG 3.31Å; L628-S630 VanDerWaalsContact C-N 3.3Å; L628-S630 PolarHBondContact O-N 2.94Å; S630-R633 PolarHBondContact O-N 3.21Å; S630-L634 PolarHBondContact O-N 3.01Å
631	A	92.6	Very high	83.7	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-69.8	-43.8	179.5	0	0	0	0	0	111.1	L554 I589 F591 S595 N627 L628 L629 L634 V635	L554-A631 HydrophobicContact CD2-CB 3.49Å; L554-A631 VanDerWaalsContact CD2-CB 3.49Å; I589-A631 HydrophobicContact CG2-CB 4.46Å; F591-A631 HydrophobicContact CB-CB 3.51Å; F591-A631 HydrophobicContact CD1-CB 4.03Å; F591-A631 HydrophobicContact CG-CB 3.85Å; S595-A631 WeakPolarHBondContact OG-CA 3.44Å; S595-A631 VanDerWaalsContact OG-CB 3.26Å; S595-A631 WeakPolarHBondContact OG-CB 3.19Å; S595-A631 PolarHBondContact OG-N 3.24Å; N627-A631 PolarHBondContact O-N 3.14Å; L628-A631 WeakPolarHBondContact O-CB 3.45Å; L628-A631 PolarHBondContact O-N 3.26Å; L628-A631 VanDerWaalsContact O-N 3.12Å; L629-A631 VanDerWaalsContact C-N 3.28Å; L629-A631 PolarHBondContact O-N 2.93Å; A631-L634 WeakPolarHBondContact O-CB 3.41Å; A631-L634 PolarHBondContact O-N 2.92Å; A631-V635 WeakPolarHBondContact O-CG2 3.49Å; A631-V635 PolarHBondContact O-N 3.41Å
632	L	92.1	Very high	82.5	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.8	-38.9	173.2	-70.4	172.6	0	0	0	112.2	L554 L628 L629 L634 V635 F636 I651 I653 I666 Y669 L670	L554-L632 HydrophobicContact CD1-CD2 3.81Å; L628-L632 HydrophobicContact CD1-CG 4.42Å; L628-L632 HydrophobicContact CG-CD1 4.18Å; L628-L632 HydrophobicContact CG-CG 4.42Å; L628-L632 PolarHBondContact O-N 2.98Å; L629-L632 PolarHBondContact O-N 3.36Å; L632-L634 VanDerWaalsContact C-N 3.35Å; L632-V635 WeakPolarHBondContact O-CB 3.5Å; L632-V635 PolarHBondContact O-N 3.49Å; L632-F636 WeakPolarHBondContact O-CD2 3.44Å; L632-F636 PolarHBondContact O-N 3.48Å; L632-I651 HydrophobicContact CD2-CG2 4.4Å; L632-I653 HydrophobicContact CD2-CD1 4.43Å; L632-I666 HydrophobicContact CD1-CG2 3.67Å; L632-Y669 HydrophobicContact CB-CD1 4.45Å; L632-Y669 HydrophobicContact CB-CE1 4.08Å; L632-L670 HydrophobicContact CD1-CD1 4.33Å; L632-L670 HydrophobicContact CD1-CD2 3.97Å; L632-L670 HydrophobicContact CD1-CG 4.19Å; L632-L670 HydrophobicContact CD2-CD2 4.02Å
633	R	90.5	Very high	81.4	Confident	116 Å²	116	47.3 Å²	47.3	44%	0.438	24%	0.243	S	C	.	.	H	α-helix	trans	-59.2	-46.7	171.1	-79	179.1	-177.6	172.9	0.7	111.5	L629 S630 V635 F636 E637 Y669	L629-R633 WeakPolarHBondContact O-CG 3.49Å; L629-R633 PolarHBondContact O-N 3.22Å; S630-R633 PolarHBondContact O-N 3.21Å; R633-V635 VanDerWaalsContact C-N 3.26Å; R633-V635 PolarHBondContact O-N 2.91Å; R633-F636 PolarHBondContact O-N 3.46Å; R633-F636 VanDerWaalsContact O-N 3.11Å; R633-E637 VanDerWaalsContact O-CB 3.26Å; R633-E637 WeakPolarHBondContact O-CB 3.5Å; R633-E637 VanDerWaalsContact O-CG 3.32Å; R633-E637 WeakPolarHBondContact O-CG 3.4Å; R633-E637 PolarHBondContact O-N 3.1Å; R633-Y669 HydrophobicContact CG-CE1 4.29Å; R633-Y669 HydrophobicContact CG-CE2 4.19Å; R633-Y669 WeakPolarHBondContact CG-OH 3.43Å
634	L	89.7	Confident	80.4	Confident	49 Å²	49	43 Å²	43	26%	0.257	22%	0.22	S	C	.	.	H	α-helix	trans	-57.4	-40.1	177.1	-161.9	73.4	0	0	0	111.8	I589 A597 S630 A631 L632 S638	I589-L634 HydrophobicContact CD1-CD2 4.46Å; I589-L634 HydrophobicContact CG2-CD2 3.95Å; A597-L634 HydrophobicContact CB-CD2 3.68Å; A597-L634 HydrophobicContact CB-CG 4.39Å; S630-L634 PolarHBondContact O-N 3.01Å; A631-L634 WeakPolarHBondContact O-CB 3.41Å; A631-L634 PolarHBondContact O-N 2.92Å; L632-L634 VanDerWaalsContact C-N 3.35Å; L634-S638 WeakPolarHBondContact O-CB 3.41Å; L634-S638 PolarHBondContact O-N 3.34Å; L634-S638 VanDerWaalsContact O-N 3.11Å; L634-S638 PolarHBondContact O-OG 3.21Å
635	V	88.3	Confident	79.3	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-58	-49.2	174.7	175.4	0	0	0	0	112.1	I552 L554 I589 A631 L632 R633 Q639 L649 I651	I552-V635 HydrophobicContact CD1-CG1 3.78Å; I552-V635 HydrophobicContact CG2-CG2 4.15Å; L554-V635 HydrophobicContact CD1-CG2 4.21Å; L554-V635 HydrophobicContact CD2-CG2 4.05Å; L554-V635 HydrophobicContact CG-CG2 4.38Å; I589-V635 HydrophobicContact CD1-CB 4.4Å; I589-V635 HydrophobicContact CD1-CG2 3.44Å; I589-V635 VanDerWaalsContact CD1-CG2 3.44Å; A631-V635 WeakPolarHBondContact O-CG2 3.49Å; A631-V635 PolarHBondContact O-N 3.41Å; L632-V635 WeakPolarHBondContact O-CB 3.5Å; L632-V635 PolarHBondContact O-N 3.49Å; R633-V635 VanDerWaalsContact C-N 3.26Å; R633-V635 PolarHBondContact O-N 2.91Å; V635-Q639 WeakPolarHBondContact O-CG 3.42Å; V635-L649 HydrophobicContact CG1-CD2 4.44Å; V635-I651 HydrophobicContact CG1-CD1 3.68Å; V635-I651 HydrophobicContact CG1-CG1 4.22Å
636	F	86	Confident	78.5	Confident	16 Å²	16	52.9 Å²	52.9	7%	0.07	25%	0.254	C	S	.	.	H	α-helix	trans	-84.9	-22.3	-173.1	-65.2	-65.4	0	0	0	114.2	L632 R633 I651 Y669 L670 K673 F677 T680	L632-F636 WeakPolarHBondContact O-CD2 3.44Å; L632-F636 PolarHBondContact O-N 3.48Å; R633-F636 PolarHBondContact O-N 3.46Å; R633-F636 VanDerWaalsContact O-N 3.11Å; F636-I651 HydrophobicContact CE1-CD1 4.32Å; F636-I651 HydrophobicContact CE2-CD1 4.44Å; F636-I651 HydrophobicContact CZ-CD1 3.84Å; F636-Y669 AromaticContact CD2-CE1 3.95Å; F636-Y669 HydrophobicContact CD2-CE1 3.95Å; F636-Y669 HydrophobicContact CE2-CE1 4.28Å; F636-L670 HydrophobicContact CE2-CD2 4Å; F636-L670 HydrophobicContact CZ-CD2 4.33Å; F636-K673 HydrophobicContact CB-CD 4.33Å; F636-K673 HydrophobicContact CD1-CB 4.44Å; F636-K673 HydrophobicContact CD2-CB 4.24Å; F636-K673 HydrophobicContact CD2-CD 4.48Å; F636-K673 HydrophobicContact CD2-CG 3.92Å; F636-K673 HydrophobicContact CE1-CB 4.28Å; F636-K673 HydrophobicContact CE2-CB 4.09Å; F636-K673 HydrophobicContact CE2-CG 4.2Å; F636-K673 HydrophobicContact CG-CB 4.43Å; F636-K673 HydrophobicContact CG-CD 4.29Å; F636-K673 HydrophobicContact CG-CG 4.18Å; F636-K673 HydrophobicContact CZ-CB 4.11Å; F636-F677 HydrophobicContact CB-CE2 4.28Å; F636-F677 AromaticContact CD1-CD2 3.5Å; F636-F677 HydrophobicContact CD1-CD2 3.5Å; F636-F677 AromaticContact CD1-CE2 3.7Å; F636-F677 HydrophobicContact CD1-CE2 3.7Å; F636-F677 HydrophobicContact CD1-CG 4.37Å; F636-F677 AromaticContact CE1-CD2 3.86Å; F636-F677 HydrophobicContact CE1-CD2 3.86Å; F636-F677 HydrophobicContact CE1-CE2 4.5Å; F636-F677 HydrophobicContact CE1-CG 4.49Å; F636-F677 HydrophobicContact CG-CD2 4.46Å; F636-F677 HydrophobicContact CG-CE2 4.34Å; F636-T680 HydrophobicContact CE1-CG2 4.1Å; F636-T680 HydrophobicContact CZ-CG2 4.24Å
637	E	82	Confident	77.9	Confident	133 Å²	133	53.9 Å²	53.9	62%	0.621	26%	0.263	S	S	*	.	H	α-helix	trans	-95.2	-27.5	-176.9	-67.2	172.8	-173.6	0	0	113.3	R633	R633-E637 VanDerWaalsContact O-CB 3.26Å; R633-E637 WeakPolarHBondContact O-CB 3.5Å; R633-E637 VanDerWaalsContact O-CG 3.32Å; R633-E637 WeakPolarHBondContact O-CG 3.4Å; R633-E637 PolarHBondContact O-N 3.1Å
638	S	70.2	Confident	77.7	Confident	33 Å²	33	56.6 Å²	56.6	23%	0.231	27%	0.274	C	S	.	.	H	α-helix	trans	-83.3	-20.1	-176.1	63.3	0	0	0	0	114.7	S600 N601 L634	S600-S638 CarbonylContact O-C 3.42Å; S600-S638 WeakPolarHBondContact O-CB 3.42Å; S600-S638 VanDerWaalsContact O-O 3.06Å; S600-S638 PolarHBondContact O-OG 3.3Å; S600-S638 VanDerWaalsContact O-OG 3.14Å; N601-S638 PolarHBondContact OD1-O 2.79Å; L634-S638 WeakPolarHBondContact O-CB 3.41Å; L634-S638 PolarHBondContact O-N 3.34Å; L634-S638 VanDerWaalsContact O-N 3.11Å; L634-S638 PolarHBondContact O-OG 3.21Å
639	Q	66.1	Low	77.6	Confident	13 Å²	13	56.6 Å²	56.6	6%	0.061	27%	0.274	C	S	.	.	S	Bend	trans	-86.4	142.2	-170.7	-64.3	-66.1	-33.8	0	0	112	S600 V635 E641 L644	S600-Q639 PolarHBondContact O-NE2 3.44Å; V635-Q639 WeakPolarHBondContact O-CG 3.42Å; Q639-E641 PolarHBondContact O-N 3.28Å; Q639-L644 HydrophobicContact CB-CD1 3.56Å; Q639-L644 HydrophobicContact CB-CD2 4.26Å; Q639-L644 HydrophobicContact CB-CG 3.81Å; Q639-L644 HydrophobicContact CG-CD1 4.25Å; Q639-L644 HydrophobicContact CG-CD2 4.25Å; Q639-L644 HydrophobicContact CG-CG 4.35Å
640	S	61.1	Low	77.5	Confident	47 Å²	47	55.8 Å²	55.8	33%	0.329	27%	0.27	S	S	.	.			trans	-60.8	123.7	165.8	98.3	0	0	0	0	109.2	N601 K642 D643	N601-S640 PolarHBondContact OD1-N 2.91Å; N601-S640 VanDerWaalsContact OD1-N 3.15Å; S640-K642 PolarHBondContact O-N 3.33Å; S640-D643 PolarHBondContact O-N 3.5Å; S640-D643 PolarHBondContact OG-OD2 3.11Å
641	E	60.5	Low	77.6	Confident	137 Å²	137	54.4 Å²	54.4	64%	0.64	26%	0.26	S	S	*	.	H	α-helix	trans	-50.2	-36.4	-177.1	-75.5	-176.9	170.3	0	0	111.9	Q639 D643 L644 F645	Q639-E641 PolarHBondContact O-N 3.28Å; E641-D643 PolarHBondContact O-N 3.47Å; E641-L644 PolarHBondContact O-N 3.15Å; E641-F645 HydrophobicContact CB-CD2 4.22Å; E641-F645 HydrophobicContact CB-CE2 3.99Å; E641-F645 WeakPolarHBondContact O-CD2 3.3Å; E641-F645 PolarHBondContact O-N 3.44Å
642	K	61.1	Low	77.7	Confident	158 Å²	158	54.6 Å²	54.6	69%	0.687	26%	0.261	S	S	*	.	H	α-helix	trans	-58.6	-42.7	-180	-66.9	-174	178.8	-178.1	0	113.4	S640 L644 F645 E646	S640-K642 PolarHBondContact O-N 3.33Å; K642-L644 VanDerWaalsContact C-N 3.29Å; K642-L644 PolarHBondContact O-N 2.84Å; K642-F645 PolarHBondContact O-N 3.42Å; K642-E646 WeakPolarHBondContact O-CG 2.93Å; K642-E646 PolarHBondContact O-N 3.32Å
643	D	62.2	Low	77.9	Confident	35 Å²	35	54.6 Å²	54.6	19%	0.187	26%	0.261	C	S	.	.	H	α-helix	trans	-66.8	-33.2	-178.4	-74.1	-58.7	0	0	0	112.1	K585 S640 E641 S647	K585-D643 IonicContact NZ-OD1 2.84Å; K585-D643 PolarHBondContact NZ-OD1 3.08Å; S640-D643 PolarHBondContact O-N 3.5Å; S640-D643 PolarHBondContact OG-OD2 3.11Å; E641-D643 PolarHBondContact O-N 3.47Å; D643-S647 PolarHBondContact O-OG 3.24Å
644	L	63.6	Low	78	Confident	4 Å²	4	49.3 Å²	49.3	2%	0.021	24%	0.241	C	C	.	.	H	α-helix	trans	-77.3	-30.4	-179.1	-69.2	174.8	0	0	0	113.3	Q639 E641 K642 L649 F677	Q639-L644 HydrophobicContact CB-CD1 3.56Å; Q639-L644 HydrophobicContact CB-CD2 4.26Å; Q639-L644 HydrophobicContact CB-CG 3.81Å; Q639-L644 HydrophobicContact CG-CD1 4.25Å; Q639-L644 HydrophobicContact CG-CD2 4.25Å; Q639-L644 HydrophobicContact CG-CG 4.35Å; E641-L644 PolarHBondContact O-N 3.15Å; K642-L644 VanDerWaalsContact C-N 3.29Å; K642-L644 PolarHBondContact O-N 2.84Å; L644-L649 HydrophobicContact CD2-CD2 3.45Å; L644-L649 VanDerWaalsContact CD2-CD2 3.45Å; L644-F677 HydrophobicContact CB-CD1 3.78Å; L644-F677 HydrophobicContact CB-CE1 3.89Å; L644-F677 HydrophobicContact CD1-CD1 3.98Å; L644-F677 HydrophobicContact CD1-CE1 3.54Å; L644-F677 HydrophobicContact CD1-CZ 3.83Å; L644-F677 HydrophobicContact CG-CD1 4.5Å; L644-F677 HydrophobicContact CG-CE1 4.38Å
645	F	61.9	Low	78.1	Confident	107 Å²	107	47.2 Å²	47.2	47%	0.469	23%	0.23	S	C	.	.	H	α-helix	trans	-80.2	-34.1	-179.6	-77.3	-67.1	0	0	0	113.3	E641 K642 T676 F677	E641-F645 HydrophobicContact CB-CD2 4.22Å; E641-F645 HydrophobicContact CB-CE2 3.99Å; E641-F645 WeakPolarHBondContact O-CD2 3.3Å; E641-F645 PolarHBondContact O-N 3.44Å; K642-F645 PolarHBondContact O-N 3.42Å; F645-T676 WeakPolarHBondContact CE1-O 3.3Å; F645-T676 HydrophobicContact CZ-CG2 4.36Å; F645-F677 HydrophobicContact CE1-CD1 4.45Å; F645-F677 HydrophobicContact CE2-CE1 4.2Å; F645-F677 HydrophobicContact CZ-CD1 4.28Å; F645-F677 HydrophobicContact CZ-CE1 4.13Å
646	E	66.3	Low	78	Confident	163 Å²	163	48 Å²	48	76%	0.762	24%	0.236	S	C	*	.	H	α-helix	trans	-79.4	-20.2	-170.5	-73	-177.5	-178.7	0	0	114	K642	K642-E646 WeakPolarHBondContact O-CG 2.93Å; K642-E646 PolarHBondContact O-N 3.32Å
647	S	74.8	Confident	77.7	Confident	33 Å²	33	47.4 Å²	47.4	23%	0.231	23%	0.234	C	C	.	.	S	Bend	trans	-150	150.9	-170.8	46.5	0	0	0	0	114.1	N550 D643 L649	N550-S647 WeakPolarHBondContact ND2-CB 3.31Å; N550-S647 PolarHBondContact ND2-OG 3.35Å; D643-S647 PolarHBondContact O-OG 3.24Å; S647-L649 PolarHBondContact O-N 3.42Å
648	H	86.6	Confident	77.6	Confident	97 Å²	97	41.3 Å²	41.3	45%	0.449	21%	0.206	S	C	.	.			trans	-66.6	129.3	-178.2	-74.1	-153.6	0	0	0	111.4	P549 N550 N679	P549-H648 WeakPolarHBondContact CD-O 3.36Å; P549-H648 HydrophobicContact CG-CB 4.31Å; P549-H648 WeakPolarHBondContact CG-O 3.44Å; N550-H648 PolarHBondContact N-O 3.49Å; H648-N679 WeakPolarHBondContact CA-O 3.49Å
649	L	88.7	Confident	78.4	Confident	1 Å²	1	40 Å²	40	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	124.3	-179.2	176.6	65.1	0	0	0	110.7	N550 I552 L602 V635 L644 S647 I651 N679 T680 D681	N550-L649 HydrophobicContact CB-CD1 4.14Å; N550-L649 WeakPolarHBondContact O-CA 3.35Å; I552-L649 HydrophobicContact CD1-CD1 3.91Å; I552-L649 HydrophobicContact CD1-CD2 4.1Å; I552-L649 HydrophobicContact CG1-CD1 3.9Å; L602-L649 HydrophobicContact CD1-CD1 4.4Å; L602-L649 HydrophobicContact CD2-CD1 4.35Å; V635-L649 HydrophobicContact CG1-CD2 4.44Å; L644-L649 HydrophobicContact CD2-CD2 3.45Å; L644-L649 VanDerWaalsContact CD2-CD2 3.45Å; S647-L649 PolarHBondContact O-N 3.42Å; L649-I651 HydrophobicContact CD2-CD1 4.43Å; L649-I651 HydrophobicContact CD2-CG1 4.19Å; L649-I651 HydrophobicContact CG-CG1 4.24Å; L649-N679 PolarHBondContact N-O 2.89Å; L649-T680 HydrophobicContact CB-CG2 4.42Å; L649-T680 HydrophobicContact CD2-CG2 4.1Å; L649-T680 HydrophobicContact CG-CG2 4.32Å; L649-T680 WeakPolarHBondContact O-CA 3.35Å; L649-D681 PolarHBondContact O-N 2.94Å
650	G	91.2	Very high	79.3	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	119.8	170.6	0	0	0	0	0	111.1	N550 V551 I552	N550-G650 PolarHBondContact O-N 2.9Å; V551-G650 CarbonylContact C-O 3.59Å; V551-G650 WeakPolarHBondContact CA-O 3.41Å; I552-G650 PolarHBondContact N-O 3.13Å
651	I	93.9	Very high	80.6	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	116.5	174.8	-60.4	173.6	0	0	0	108.1	I552 L554 L632 V635 F636 L649 I653 T680 D681 V682 H683	I552-I651 CarbonylContact O-C 3.48Å; I552-I651 WeakPolarHBondContact O-CA 3.47Å; L554-I651 HydrophobicContact CD1-CG2 3.28Å; L554-I651 HydrophobicContact CG-CG2 4.26Å; L632-I651 HydrophobicContact CD2-CG2 4.4Å; V635-I651 HydrophobicContact CG1-CD1 3.68Å; V635-I651 HydrophobicContact CG1-CG1 4.22Å; F636-I651 HydrophobicContact CE1-CD1 4.32Å; F636-I651 HydrophobicContact CE2-CD1 4.44Å; F636-I651 HydrophobicContact CZ-CD1 3.84Å; L649-I651 HydrophobicContact CD2-CD1 4.43Å; L649-I651 HydrophobicContact CD2-CG1 4.19Å; L649-I651 HydrophobicContact CG-CG1 4.24Å; I651-I653 HydrophobicContact CG2-CG1 4.41Å; I651-T680 HydrophobicContact CD1-CG2 3.46Å; I651-T680 VanDerWaalsContact CD1-CG2 3.46Å; I651-T680 HydrophobicContact CG1-CG2 3.95Å; I651-D681 PolarHBondContact N-O 3.31Å; I651-V682 HydrophobicContact CB-CG2 4.16Å; I651-V682 HydrophobicContact CD1-CG2 4.19Å; I651-V682 CarbonylContact O-C 3.58Å; I651-V682 WeakPolarHBondContact O-CA 3.38Å; I651-H683 PolarHBondContact O-N 3.38Å
652	Y	95.2	Very high	81.7	Confident	4 Å²	4	38 Å²	38	2%	0.016	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	107.1	-178	-70.7	-103.1	0	0	0	109.9	F543 L546 E548 V551 I552 I553 L554 H683 R723	F543-Y652 HydrophobicContact CD1-CD1 4.48Å; L546-Y652 WeakPolarHBondContact CA-OH 3.48Å; L546-Y652 HydrophobicContact CD1-CD1 3.96Å; L546-Y652 HydrophobicContact CD1-CE1 3.54Å; L546-Y652 HydrophobicContact CG-CD1 4.31Å; L546-Y652 HydrophobicContact CG-CD2 4.43Å; L546-Y652 HydrophobicContact CG-CE1 3.77Å; L546-Y652 HydrophobicContact CG-CE2 3.92Å; E548-Y652 WeakPolarHBondContact OE2-CE2 3.45Å; E548-Y652 PolarHBondContact OE2-OH 3.04Å; V551-Y652 HydrophobicContact CG1-CD2 3.63Å; V551-Y652 HydrophobicContact CG1-CE2 3.94Å; V551-Y652 HydrophobicContact CG2-CE2 4.37Å; I552-Y652 PolarHBondContact O-N 3.18Å; I553-Y652 CarbonylContact C-O 3.52Å; I553-Y652 WeakPolarHBondContact CA-O 3.42Å; L554-Y652 PolarHBondContact N-O 2.89Å; Y652-H683 CarbonylContact C-O 3.52Å; Y652-H683 WeakPolarHBondContact CA-O 3.15Å; Y652-H683 HydrophobicContact CD1-CB 3.85Å; Y652-H683 HydrophobicContact CE1-CB 3.89Å; Y652-H683 AromaticContact CE1-CD2 3.58Å; Y652-H683 AromaticContact CE1-CG 3.85Å; Y652-H683 AromaticContact CE2-CD2 3.55Å; Y652-H683 HydrophobicContact CG-CB 4.38Å; Y652-H683 AromaticContact CZ-CD2 3.24Å; Y652-H683 AromaticContact CZ-CG 3.98Å; Y652-H683 AromaticContact CZ-NE2 3.83Å; Y652-H683 PolarHBondContact OH-CD2 2.91Å; Y652-R723 PolarHBondContact OH-NH2 2.84Å
653	I	95.2	Very high	82.9	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	119.9	178.4	-59.2	164.1	0	0	0	108.8	L554 F591 L628 L632 I651 T655 V682 H683 V684 A685	L554-I653 HydrophobicContact CB-CG1 4.17Å; L554-I653 HydrophobicContact CD1-CD1 4.44Å; L554-I653 HydrophobicContact CD1-CG1 3.66Å; L554-I653 CarbonylContact O-C 3.58Å; L554-I653 WeakPolarHBondContact O-CA 3.37Å; F591-I653 HydrophobicContact CE1-CG2 4.42Å; F591-I653 HydrophobicContact CZ-CG2 4.3Å; L628-I653 HydrophobicContact CD1-CD1 4.08Å; L628-I653 HydrophobicContact CD1-CG1 4.23Å; L628-I653 HydrophobicContact CD1-CG2 3.87Å; L628-I653 HydrophobicContact CD2-CD1 4.17Å; L628-I653 HydrophobicContact CD2-CG2 4.37Å; L632-I653 HydrophobicContact CD2-CD1 4.43Å; I651-I653 HydrophobicContact CG2-CG1 4.41Å; I653-T655 HydrophobicContact CG2-CG2 4.36Å; I653-V682 HydrophobicContact CD1-CG1 3.54Å; I653-V682 HydrophobicContact CG1-CG1 4.35Å; I653-H683 PolarHBondContact N-O 3.29Å; I653-V684 HydrophobicContact CB-CG2 4.19Å; I653-V684 HydrophobicContact CD1-CG2 4.03Å; I653-V684 CarbonylContact O-C 3.58Å; I653-V684 WeakPolarHBondContact O-CA 3.39Å; I653-A685 PolarHBondContact O-N 2.96Å
654	F	94.4	Very high	84.1	Confident	6 Å²	6	36 Å²	36	3%	0.026	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	112	175.1	-174.1	-139.2	0	0	0	109.9	F543 L554 T555 D556 I568 C571 A685 F727	F543-F654 HydrophobicContact CE1-CB 3.79Å; F543-F654 HydrophobicContact CE1-CD2 4.3Å; F543-F654 AromaticContact CE1-CG 3.97Å; F543-F654 HydrophobicContact CE1-CG 3.97Å; F543-F654 HydrophobicContact CZ-CB 3.98Å; F543-F654 AromaticContact CZ-CD1 3.87Å; F543-F654 HydrophobicContact CZ-CD1 3.87Å; F543-F654 HydrophobicContact CZ-CD2 4.03Å; F543-F654 HydrophobicContact CZ-CE1 4.38Å; F543-F654 AromaticContact CZ-CG 3.69Å; F543-F654 HydrophobicContact CZ-CG 3.69Å; L554-F654 PolarHBondContact O-N 3.01Å; T555-F654 HydrophobicContact CG2-CD1 4.06Å; D556-F654 VanDerWaalsContact CB-O 3.29Å; D556-F654 WeakPolarHBondContact CB-O 3.48Å; D556-F654 PolarHBondContact N-O 3.39Å; I568-F654 HydrophobicContact CB-CE1 4.07Å; I568-F654 HydrophobicContact CG1-CE1 3.78Å; I568-F654 HydrophobicContact CG1-CZ 4.27Å; I568-F654 HydrophobicContact CG2-CD1 4.33Å; I568-F654 HydrophobicContact CG2-CE1 3.95Å; C571-F654 HydrophobicContact CB-CE1 4.18Å; C571-F654 HydrophobicContact CB-CZ 4.12Å; F654-A685 WeakPolarHBondContact CA-O 3.42Å; F654-A685 HydrophobicContact CD2-CB 3.94Å; F654-A685 WeakPolarHBondContact CD2-O 3.2Å; F654-F727 AromaticContact CE2-CE1 3.93Å; F654-F727 HydrophobicContact CE2-CE1 3.93Å; F654-F727 AromaticContact CE2-CZ 3.53Å; F654-F727 HydrophobicContact CE2-CZ 3.53Å; F654-F727 HydrophobicContact CZ-CZ 4.09Å
655	T	91.4	Very high	85.4	Confident	5 Å²	5	39.4 Å²	39.4	3%	0.031	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	155.8	-173.3	-177.8	0	0	0	0	111.5	D556 I653 G657 V684 A685 L686 Y687 L712	D556-T655 PolarHBondContact OD2-OG1 3.18Å; I653-T655 HydrophobicContact CG2-CG2 4.36Å; T655-G657 PolarHBondContact OG1-N 2.95Å; T655-G657 PolarHBondContact OG1-O 2.98Å; T655-V684 HydrophobicContact CG2-CG1 4.29Å; T655-A685 PolarHBondContact N-O 2.88Å; T655-L686 WeakPolarHBondContact O-CA 3.25Å; T655-Y687 PolarHBondContact O-N 3.42Å; T655-L712 HydrophobicContact CG2-CD1 3.67Å; T655-L712 HydrophobicContact CG2-CD2 3.95Å; T655-L712 HydrophobicContact CG2-CG 4.49Å
656	S	85.4	Confident	86.8	Confident	16 Å²	16	34.3 Å²	34.3	11%	0.112	18%	0.177	C	C	.	.	S	Bend	trans	-102.6	-11.4	171.4	70.2	0	0	0	0	113.8	N561 R626 Y687	N561-S656 WeakPolarHBondContact OD1-CB 3.3Å; N561-S656 PolarHBondContact OD1-OG 2.96Å; R626-S656 PolarHBondContact NH2-OG 3.03Å; S656-Y687 WeakPolarHBondContact CA-O 3.46Å
657	G	79.8	Confident	88	Confident	4 Å²	4	27.2 Å²	27.2	4%	0.041	15%	0.145	C	C	.	.	S	Bend	trans	-155.1	-174	-168.7	0	0	0	0	0	113.2	T655	T655-G657 PolarHBondContact OG1-N 2.95Å; T655-G657 PolarHBondContact OG1-O 2.98Å
658	I	80.9	Confident	88.7	Confident	5 Å²	5	28.7 Å²	28.7	3%	0.026	16%	0.155	C	C	.	.			trans	-77.8	139.5	-175.1	-48.6	155.8	0	0	0	109.5	R626 C700 R701 Y702 T708	R626-I658 VanDerWaalsContact CD-O 3.31Å; R626-I658 WeakPolarHBondContact CD-O 3.47Å; I658-C700 HydrophobicContact CD1-CB 3.61Å; I658-C700 HydrophobicContact CG1-CB 4.28Å; I658-R701 HydrophobicContact CD1-CB 4.08Å; I658-Y702 HydrophobicContact CB-CD2 4.36Å; I658-Y702 HydrophobicContact CB-CE2 4.31Å; I658-Y702 HydrophobicContact CD1-CD2 3Å; I658-Y702 HydrophobicContact CD1-CE2 3.7Å; I658-Y702 HydrophobicContact CD1-CG 3.56Å; I658-Y702 HydrophobicContact CG1-CD2 3.44Å; I658-Y702 VanDerWaalsContact CG1-CD2 3.44Å; I658-Y702 HydrophobicContact CG1-CE2 3.83Å; I658-Y702 HydrophobicContact CG1-CG 4.44Å; I658-Y702 HydrophobicContact CG2-CD2 3.98Å; I658-Y702 HydrophobicContact CG2-CE2 3.45Å; I658-Y702 VanDerWaalsContact CG2-CE2 3.45Å; I658-T708 HydrophobicContact CD1-CG2 4.46Å; I658-T708 WeakPolarHBondContact CD1-OG1 3.44Å; I658-T708 HydrophobicContact CG1-CG2 3.46Å; I658-T708 VanDerWaalsContact CG1-CG2 3.46Å; I658-T708 VanDerWaalsContact CG1-OG1 3.26Å; I658-T708 WeakPolarHBondContact CG1-OG1 3.49Å
659	P	85.9	Confident	89	Confident	5 Å²	5	25.8 Å²	25.8	3%	0.032	14%	0.141	C	C	.	.			trans	-56.5	156	167.7	-24.9	36.1	0	0	0	113.4	R626 L628 Q661 I666 L712 I715	R626-P659 CarbonylContact O-C 2.84Å; R626-P659 WeakPolarHBondContact O-CA 3.47Å; L628-P659 HydrophobicContact CB-CB 3.8Å; L628-P659 HydrophobicContact CB-CG 3.98Å; L628-P659 HydrophobicContact CD2-CB 4.25Å; L628-P659 HydrophobicContact CD2-CG 3.51Å; L628-P659 HydrophobicContact CG-CG 4.4Å; P659-Q661 PolarHBondContact O-N 3.27Å; P659-I666 HydrophobicContact CB-CD1 3.52Å; P659-I666 HydrophobicContact CG-CD1 3.72Å; P659-L712 HydrophobicContact CG-CD2 4.26Å; P659-I715 HydrophobicContact CG-CD1 4.14Å
660	D	85.2	Confident	89.1	Confident	51 Å²	51	25.9 Å²	25.9	27%	0.273	14%	0.141	S	C	.	.	S	Bend	trans	-65.2	-26.4	173.6	-64.2	-22.7	0	0	0	112	S625 R626 N627 R701	S625-D660 WeakPolarHBondContact CB-OD1 3.37Å; S625-D660 WeakPolarHBondContact CB-OD2 3.49Å; S625-D660 PolarHBondContact OG-OD2 2.8Å; R626-D660 PolarHBondContact N-OD1 2.69Å; R626-D660 PolarHBondContact N-OD2 3.35Å; R626-D660 PolarHBondContact O-N 3.27Å; N627-D660 PolarHBondContact N-OD2 2.96Å; D660-R701 PolarHBondContact O-NH2 3.29Å
661	Q	87.9	Confident	88.9	Confident	40 Å²	40	30.8 Å²	30.8	19%	0.187	16%	0.164	C	C	.	.	S	Bend	trans	-93.3	150.9	177.9	-62	79.4	41	0	0	111.3	N627 L629 P659 I666	N627-Q661 PolarHBondContact OD1-NE2 3.01Å; N627-Q661 PolarHBondContact OD1-OE1 3.39Å; L629-Q661 HydrophobicContact CB-CG 3.94Å; L629-Q661 HydrophobicContact CD2-CG 4.16Å; L629-Q661 VanDerWaalsContact N-OE1 3.15Å; P659-Q661 PolarHBondContact O-N 3.27Å; Q661-I666 HydrophobicContact CB-CD1 4.04Å; Q661-I666 HydrophobicContact CB-CG1 4.02Å
662	D	84.9	Confident	88.6	Confident	64 Å²	64	33.6 Å²	33.6	34%	0.342	19%	0.188	S	C	.	.			trans	-60	143.8	174.9	-159	-57.3	0	0	0	111.4	E664 V665 I666	D662-E664 PolarHBondContact O-N 2.84Å; D662-E664 PolarHBondContact OD1-N 3.01Å; D662-V665 HydrophobicContact CB-CG2 4.13Å; D662-V665 PolarHBondContact O-N 3.36Å; D662-V665 VanDerWaalsContact O-N 3.15Å; D662-I666 PolarHBondContact O-N 3.06Å
663	S	85.9	Confident	88.1	Confident	8 Å²	8	36.1 Å²	36.1	6%	0.056	20%	0.199	C	C	.	.	H	α-helix	trans	-58.4	-34.9	176.2	38.4	0	0	0	0	111.8	V665 I666 S667 S711	S663-V665 VanDerWaalsContact C-N 3.32Å; S663-V665 PolarHBondContact O-N 3.27Å; S663-I666 PolarHBondContact O-N 3.42Å; S663-S667 VanDerWaalsContact O-CB 3.27Å; S663-S667 WeakPolarHBondContact O-CB 3.44Å; S663-S667 PolarHBondContact O-N 3.2Å; S663-S667 PolarHBondContact O-OG 3.25Å; S663-S711 VanDerWaalsContact CB-OG 3.23Å; S663-S711 WeakPolarHBondContact CB-OG 3.28Å; S663-S711 PolarHBondContact OG-OG 3.04Å
664	E	87.6	Confident	87.3	Confident	143 Å²	143	40.8 Å²	40.8	67%	0.668	22%	0.216	S	C	*	.	H	α-helix	trans	-63.7	-38.4	178.8	-169.6	173.2	-169.6	0	0	111.8	D662 S668	D662-E664 PolarHBondContact O-N 2.84Å; D662-E664 PolarHBondContact OD1-N 3.01Å; E664-S668 WeakPolarHBondContact O-CB 3.3Å; E664-S668 PolarHBondContact O-N 3.11Å; E664-S668 PolarHBondContact O-OG 3.16Å
665	V	91.3	Very high	86.6	Confident	76 Å²	76	45.3 Å²	45.3	46%	0.461	25%	0.248	S	C	.	.	H	α-helix	trans	-68	-42.4	177.9	176.4	0	0	0	0	111	L629 D662 S663 Y669	L629-V665 HydrophobicContact CD2-CG1 4.24Å; D662-V665 HydrophobicContact CB-CG2 4.13Å; D662-V665 PolarHBondContact O-N 3.36Å; D662-V665 VanDerWaalsContact O-N 3.15Å; S663-V665 VanDerWaalsContact C-N 3.32Å; S663-V665 PolarHBondContact O-N 3.27Å; V665-Y669 WeakPolarHBondContact O-CB 3.12Å; V665-Y669 PolarHBondContact O-N 3.07Å
666	I	91.1	Very high	86	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-68.6	-48.3	179.6	-63.4	167	0	0	0	110.3	L628 L632 P659 Q661 D662 S663 S668 Y669 L670 I715	L628-I666 HydrophobicContact CB-CD1 4.46Å; L628-I666 HydrophobicContact CD2-CD1 4.23Å; L632-I666 HydrophobicContact CD1-CG2 3.67Å; P659-I666 HydrophobicContact CB-CD1 3.52Å; P659-I666 HydrophobicContact CG-CD1 3.72Å; Q661-I666 HydrophobicContact CB-CD1 4.04Å; Q661-I666 HydrophobicContact CB-CG1 4.02Å; D662-I666 PolarHBondContact O-N 3.06Å; S663-I666 PolarHBondContact O-N 3.42Å; I666-S668 PolarHBondContact O-N 3.01Å; I666-Y669 WeakPolarHBondContact O-CB 3.39Å; I666-Y669 PolarHBondContact O-N 2.8Å; I666-L670 HydrophobicContact CG2-CD1 4.17Å; I666-L670 WeakPolarHBondContact O-CG 3.46Å; I666-L670 PolarHBondContact O-N 3.48Å; I666-I715 HydrophobicContact CB-CD1 4.26Å; I666-I715 HydrophobicContact CB-CG1 4.3Å; I666-I715 HydrophobicContact CD1-CD1 3.9Å; I666-I715 HydrophobicContact CG2-CD1 4.14Å; I666-I715 HydrophobicContact CG2-CG1 4.09Å; I666-I715 HydrophobicContact CG2-CG2 3.89Å
667	S	90.5	Very high	85.7	Confident	14 Å²	14	48 Å²	48	10%	0.098	26%	0.263	C	S	.	.	H	α-helix	trans	-60.4	-44.9	177.5	-65.1	0	0	0	0	111.4	S663 Y669 L670 E671	S663-S667 VanDerWaalsContact O-CB 3.27Å; S663-S667 WeakPolarHBondContact O-CB 3.44Å; S663-S667 PolarHBondContact O-N 3.2Å; S663-S667 PolarHBondContact O-OG 3.25Å; S667-Y669 VanDerWaalsContact C-N 3.31Å; S667-Y669 PolarHBondContact O-N 3.43Å; S667-L670 PolarHBondContact O-N 2.94Å; S667-E671 WeakPolarHBondContact O-CB 3.37Å; S667-E671 WeakPolarHBondContact O-CG 3.15Å; S667-E671 PolarHBondContact O-N 3.41Å
668	S	89.9	Confident	85.6	Confident	63 Å²	63	54.2 Å²	54.2	44%	0.441	29%	0.294	S	S	.	.	H	α-helix	trans	-60.3	-39.5	175.4	-62.6	0	0	0	0	112.4	E664 I666 A672	E664-S668 WeakPolarHBondContact O-CB 3.3Å; E664-S668 PolarHBondContact O-N 3.11Å; E664-S668 PolarHBondContact O-OG 3.16Å; I666-S668 PolarHBondContact O-N 3.01Å; S668-A672 WeakPolarHBondContact O-CB 3.27Å; S668-A672 PolarHBondContact O-N 2.78Å
669	Y	92.1	Very high	85.7	Confident	36 Å²	36	56.8 Å²	56.8	14%	0.141	31%	0.308	C	S	.	.	H	α-helix	trans	-66.4	-43.2	176	177.4	-100.4	0	0	0	112.1	L629 L632 R633 F636 V665 I666 S667 A672 K673	L629-Y669 HydrophobicContact CD1-CD1 3.69Å; L629-Y669 HydrophobicContact CD1-CD2 4.31Å; L629-Y669 HydrophobicContact CD1-CE1 4.29Å; L629-Y669 HydrophobicContact CD1-CG 3.71Å; L632-Y669 HydrophobicContact CB-CD1 4.45Å; L632-Y669 HydrophobicContact CB-CE1 4.08Å; R633-Y669 HydrophobicContact CG-CE1 4.29Å; R633-Y669 HydrophobicContact CG-CE2 4.19Å; R633-Y669 WeakPolarHBondContact CG-OH 3.43Å; F636-Y669 AromaticContact CD2-CE1 3.95Å; F636-Y669 HydrophobicContact CD2-CE1 3.95Å; F636-Y669 HydrophobicContact CE2-CE1 4.28Å; V665-Y669 WeakPolarHBondContact O-CB 3.12Å; V665-Y669 PolarHBondContact O-N 3.07Å; I666-Y669 WeakPolarHBondContact O-CB 3.39Å; I666-Y669 PolarHBondContact O-N 2.8Å; S667-Y669 VanDerWaalsContact C-N 3.31Å; S667-Y669 PolarHBondContact O-N 3.43Å; Y669-A672 PolarHBondContact O-N 3.4Å; Y669-K673 HydrophobicContact CD1-CG 4.48Å; Y669-K673 HydrophobicContact CE1-CG 4.03Å; Y669-K673 HydrophobicContact CE2-CG 4.14Å; Y669-K673 WeakPolarHBondContact O-CG 3.28Å; Y669-K673 PolarHBondContact O-N 3.28Å; Y669-K673 WeakPolarHBondContact OH-CE 3.22Å
670	L	90.8	Very high	85.8	Confident	4 Å²	4	56.9 Å²	56.9	2%	0.021	31%	0.308	C	S	.	.	H	α-helix	trans	-64.2	-44.1	176.3	-72.6	176.8	0	0	0	111.8	L632 F636 I666 S667 A672 K673 R674 V682 I715 S718	L632-L670 HydrophobicContact CD1-CD1 4.33Å; L632-L670 HydrophobicContact CD1-CD2 3.97Å; L632-L670 HydrophobicContact CD1-CG 4.19Å; L632-L670 HydrophobicContact CD2-CD2 4.02Å; F636-L670 HydrophobicContact CE2-CD2 4Å; F636-L670 HydrophobicContact CZ-CD2 4.33Å; I666-L670 HydrophobicContact CG2-CD1 4.17Å; I666-L670 WeakPolarHBondContact O-CG 3.46Å; I666-L670 PolarHBondContact O-N 3.48Å; S667-L670 PolarHBondContact O-N 2.94Å; L670-A672 VanDerWaalsContact C-N 3.34Å; L670-A672 PolarHBondContact O-N 3.48Å; L670-K673 PolarHBondContact O-N 3.15Å; L670-R674 WeakPolarHBondContact O-CB 3.14Å; L670-R674 PolarHBondContact O-N 3.4Å; L670-V682 HydrophobicContact CD1-CG1 4.33Å; L670-V682 HydrophobicContact CD1-CG2 4.19Å; L670-V682 HydrophobicContact CD2-CG2 3.92Å; L670-I715 HydrophobicContact CD1-CG2 3.97Å; L670-S718 WeakPolarHBondContact CD1-OG 3.18Å
671	E	87.1	Confident	86.1	Confident	102 Å²	102	55 Å²	55	48%	0.477	30%	0.298	S	S	.	.	H	α-helix	trans	-60.3	-42.8	175.4	-74.9	179.1	-173	0	0	111.8	S667 R674 C675	S667-E671 WeakPolarHBondContact O-CB 3.37Å; S667-E671 WeakPolarHBondContact O-CG 3.15Å; S667-E671 PolarHBondContact O-N 3.41Å; E671-R674 WeakPolarHBondContact O-CB 3.38Å; E671-R674 PolarHBondContact O-N 3.22Å; E671-C675 PolarHBondContact O-N 3.21Å
672	A	87.5	Confident	86.3	Confident	60 Å²	60	53.1 Å²	53.1	50%	0.496	29%	0.29	S	S	.	.	H	α-helix	trans	-63.9	-41.4	175.5	0	0	0	0	0	112.3	S668 Y669 L670 C675	S668-A672 WeakPolarHBondContact O-CB 3.27Å; S668-A672 PolarHBondContact O-N 2.78Å; Y669-A672 PolarHBondContact O-N 3.4Å; L670-A672 VanDerWaalsContact C-N 3.34Å; L670-A672 PolarHBondContact O-N 3.48Å; A672-C675 PolarHBondContact O-N 3.45Å
673	K	85.8	Confident	86.8	Confident	56 Å²	56	50.1 Å²	50.1	24%	0.243	27%	0.274	C	S	.	.	H	α-helix	trans	-71.6	-29.2	176.7	-70.4	-62.9	-175.5	177.9	0	112.7	F636 Y669 L670 C675 T676 F677	F636-K673 HydrophobicContact CB-CD 4.33Å; F636-K673 HydrophobicContact CD1-CB 4.44Å; F636-K673 HydrophobicContact CD2-CB 4.24Å; F636-K673 HydrophobicContact CD2-CD 4.48Å; F636-K673 HydrophobicContact CD2-CG 3.92Å; F636-K673 HydrophobicContact CE1-CB 4.28Å; F636-K673 HydrophobicContact CE2-CB 4.09Å; F636-K673 HydrophobicContact CE2-CG 4.2Å; F636-K673 HydrophobicContact CG-CB 4.43Å; F636-K673 HydrophobicContact CG-CD 4.29Å; F636-K673 HydrophobicContact CG-CG 4.18Å; F636-K673 HydrophobicContact CZ-CB 4.11Å; Y669-K673 HydrophobicContact CD1-CG 4.48Å; Y669-K673 HydrophobicContact CE1-CG 4.03Å; Y669-K673 HydrophobicContact CE2-CG 4.14Å; Y669-K673 WeakPolarHBondContact O-CG 3.28Å; Y669-K673 PolarHBondContact O-N 3.28Å; Y669-K673 WeakPolarHBondContact OH-CE 3.22Å; L670-K673 PolarHBondContact O-N 3.15Å; K673-C675 PolarHBondContact O-N 3.43Å; K673-T676 CarbonylContact O-C 3.48Å; K673-T676 WeakPolarHBondContact O-CA 3.42Å; K673-T676 WeakPolarHBondContact O-CB 3.28Å; K673-T676 PolarHBondContact O-N 3.33Å; K673-F677 HydrophobicContact CD-CE2 4.39Å; K673-F677 PolarHBondContact O-N 2.93Å
674	R	78.6	Confident	87.2	Confident	98 Å²	98	49.8 Å²	49.8	37%	0.37	27%	0.271	S	S	.	.	H	α-helix	trans	-59.8	-33.4	174	-167.3	-178.2	73	95.5	-1.9	112.7	L670 E671 T676 F677 L678	L670-R674 WeakPolarHBondContact O-CB 3.14Å; L670-R674 PolarHBondContact O-N 3.4Å; E671-R674 WeakPolarHBondContact O-CB 3.38Å; E671-R674 PolarHBondContact O-N 3.22Å; R674-T676 PolarHBondContact O-N 2.7Å; R674-F677 CarbonylContact O-C 3.51Å; R674-L678 PolarHBondContact O-N 3.2Å
675	C	79.7	Confident	87.5	Confident	102 Å²	102	43.1 Å²	43.1	69%	0.689	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-25.1	172.9	-65.9	0	0	0	0	112.9	E671 A672 K673	E671-C675 PolarHBondContact O-N 3.21Å; A672-C675 PolarHBondContact O-N 3.45Å; K673-C675 PolarHBondContact O-N 3.43Å
676	T	79	Confident	87.5	Confident	67 Å²	67	39.5 Å²	39.5	41%	0.411	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-42.3	177.1	-47.3	0	0	0	0	111	F645 K673 R674	F645-T676 WeakPolarHBondContact CE1-O 3.3Å; F645-T676 HydrophobicContact CZ-CG2 4.36Å; K673-T676 CarbonylContact O-C 3.48Å; K673-T676 WeakPolarHBondContact O-CA 3.42Å; K673-T676 WeakPolarHBondContact O-CB 3.28Å; K673-T676 PolarHBondContact O-N 3.33Å; R674-T676 PolarHBondContact O-N 2.7Å
677	F	78.5	Confident	87.3	Confident	10 Å²	10	39.7 Å²	39.7	4%	0.044	22%	0.22	C	C	.	.			trans	-119.6	79.1	-174.7	-52.8	-70.5	0	0	0	111	F636 L644 F645 K673 R674 N679 T680	F636-F677 HydrophobicContact CB-CE2 4.28Å; F636-F677 AromaticContact CD1-CD2 3.5Å; F636-F677 HydrophobicContact CD1-CD2 3.5Å; F636-F677 AromaticContact CD1-CE2 3.7Å; F636-F677 HydrophobicContact CD1-CE2 3.7Å; F636-F677 HydrophobicContact CD1-CG 4.37Å; F636-F677 AromaticContact CE1-CD2 3.86Å; F636-F677 HydrophobicContact CE1-CD2 3.86Å; F636-F677 HydrophobicContact CE1-CE2 4.5Å; F636-F677 HydrophobicContact CE1-CG 4.49Å; F636-F677 HydrophobicContact CG-CD2 4.46Å; F636-F677 HydrophobicContact CG-CE2 4.34Å; L644-F677 HydrophobicContact CB-CD1 3.78Å; L644-F677 HydrophobicContact CB-CE1 3.89Å; L644-F677 HydrophobicContact CD1-CD1 3.98Å; L644-F677 HydrophobicContact CD1-CE1 3.54Å; L644-F677 HydrophobicContact CD1-CZ 3.83Å; L644-F677 HydrophobicContact CG-CD1 4.5Å; L644-F677 HydrophobicContact CG-CE1 4.38Å; F645-F677 HydrophobicContact CE1-CD1 4.45Å; F645-F677 HydrophobicContact CE2-CE1 4.2Å; F645-F677 HydrophobicContact CZ-CD1 4.28Å; F645-F677 HydrophobicContact CZ-CE1 4.13Å; K673-F677 HydrophobicContact CD-CE2 4.39Å; K673-F677 PolarHBondContact O-N 2.93Å; R674-F677 CarbonylContact O-C 3.51Å; F677-N679 PolarHBondContact O-N 2.96Å; F677-N679 VanDerWaalsContact O-N 3.14Å; F677-T680 WeakPolarHBondContact CB-OG1 3.33Å; F677-T680 PolarHBondContact O-N 3Å; F677-T680 PolarHBondContact O-OG1 2.87Å
678	L	77.9	Confident	86.6	Confident	134 Å²	134	40.9 Å²	40.9	70%	0.702	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.6	-175.4	-78	149.3	0	0	0	114.3	R674 T680	R674-L678 PolarHBondContact O-N 3.2Å; L678-T680 PolarHBondContact O-N 2.76Å
679	N	83.8	Confident	85.3	Confident	60 Å²	60	38.6 Å²	38.6	32%	0.321	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	30.4	-174.1	-62.5	-18.8	0	0	0	112.6	H648 L649 F677	H648-N679 WeakPolarHBondContact CA-O 3.49Å; L649-N679 PolarHBondContact N-O 2.89Å; F677-N679 PolarHBondContact O-N 2.96Å; F677-N679 VanDerWaalsContact O-N 3.14Å
680	T	87	Confident	83.5	Confident	6 Å²	6	40.6 Å²	40.6	4%	0.037	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	124	-179.5	-49.6	0	0	0	0	111.1	F636 L649 I651 F677 L678	F636-T680 HydrophobicContact CE1-CG2 4.1Å; F636-T680 HydrophobicContact CZ-CG2 4.24Å; L649-T680 HydrophobicContact CB-CG2 4.42Å; L649-T680 HydrophobicContact CD2-CG2 4.1Å; L649-T680 HydrophobicContact CG-CG2 4.32Å; L649-T680 WeakPolarHBondContact O-CA 3.35Å; I651-T680 HydrophobicContact CD1-CG2 3.46Å; I651-T680 VanDerWaalsContact CD1-CG2 3.46Å; I651-T680 HydrophobicContact CG1-CG2 3.95Å; F677-T680 WeakPolarHBondContact CB-OG1 3.33Å; F677-T680 PolarHBondContact O-N 3Å; F677-T680 PolarHBondContact O-OG1 2.87Å; L678-T680 PolarHBondContact O-N 2.76Å
681	D	90.4	Very high	81.5	Confident	11 Å²	11	44.8 Å²	44.8	6%	0.059	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	136.2	177	-70.6	-54.5	0	0	0	110.3	L649 I651 N721	L649-D681 PolarHBondContact O-N 2.94Å; I651-D681 PolarHBondContact N-O 3.31Å; D681-N721 HydrophobicContact CB-CB 4.42Å; D681-N721 WeakPolarHBondContact OD1-CB 3.43Å; D681-N721 PolarHBondContact OD1-N 2.62Å; D681-N721 PolarHBondContact OD1-ND2 3.34Å; D681-N721 PolarHBondContact OD2-ND2 3Å
682	V	93	Very high	79.2	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	118.4	-179	177.8	0	0	0	0	109.6	I651 I653 L670 T719 G722	I651-V682 HydrophobicContact CB-CG2 4.16Å; I651-V682 HydrophobicContact CD1-CG2 4.19Å; I651-V682 CarbonylContact O-C 3.58Å; I651-V682 WeakPolarHBondContact O-CA 3.38Å; I653-V682 HydrophobicContact CD1-CG1 3.54Å; I653-V682 HydrophobicContact CG1-CG1 4.35Å; L670-V682 HydrophobicContact CD1-CG1 4.33Å; L670-V682 HydrophobicContact CD1-CG2 4.19Å; L670-V682 HydrophobicContact CD2-CG2 3.92Å; V682-T719 HydrophobicContact CB-CG2 4Å; V682-T719 HydrophobicContact CG2-CG2 3.85Å; V682-T719 PolarHBondContact N-OG1 3.44Å; V682-T719 PolarHBondContact O-OG1 3.4Å; V682-G722 WeakPolarHBondContact O-CA 3.48Å
683	H	94.7	Very high	76.8	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.009	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	143.4	175.4	-46.7	-75.3	0	0	0	109.9	E548 I651 Y652 I653 N721 R723	E548-H683 IonicContact OE1-CE1 3.71Å; E548-H683 IonicContact OE1-NE2 3.97Å; E548-H683 PolarHBondContact OE1-NE2 3Å; E548-H683 IonicContact OE2-NE2 3.98Å; I651-H683 PolarHBondContact O-N 3.38Å; Y652-H683 CarbonylContact C-O 3.52Å; Y652-H683 WeakPolarHBondContact CA-O 3.15Å; Y652-H683 HydrophobicContact CD1-CB 3.85Å; Y652-H683 HydrophobicContact CE1-CB 3.89Å; Y652-H683 AromaticContact CE1-CD2 3.58Å; Y652-H683 AromaticContact CE1-CG 3.85Å; Y652-H683 AromaticContact CE2-CD2 3.55Å; Y652-H683 HydrophobicContact CG-CB 4.38Å; Y652-H683 AromaticContact CZ-CD2 3.24Å; Y652-H683 AromaticContact CZ-CG 3.98Å; Y652-H683 AromaticContact CZ-NE2 3.83Å; Y652-H683 PolarHBondContact OH-CD2 2.91Å; I653-H683 PolarHBondContact N-O 3.29Å; H683-N721 PolarHBondContact CE1-O 3.39Å; H683-R723 CarbonylContact C-O 3.49Å; H683-R723 WeakPolarHBondContact CA-O 3.42Å; H683-R723 WeakPolarHBondContact CB-O 3.31Å; H683-R723 PolarHBondContact CE1-NE 2.88Å; H683-R723 WeakPolarHBondContact ND1-CB 3.22Å; H683-R723 PolarHBondContact ND1-N 2.93Å; H683-R723 VanDerWaalsContact ND1-N 3.12Å; H683-R723 PolarHBondContact ND1-NE 3.35Å
684	V	94.4	Very high	74.6	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.006	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	125.5	-178.3	-179.1	0	0	0	0	109.8	I653 T655 L712 I715 A716 R723 F724 H725	I653-V684 HydrophobicContact CB-CG2 4.19Å; I653-V684 HydrophobicContact CD1-CG2 4.03Å; I653-V684 CarbonylContact O-C 3.58Å; I653-V684 WeakPolarHBondContact O-CA 3.39Å; T655-V684 HydrophobicContact CG2-CG1 4.29Å; V684-L712 HydrophobicContact CG1-CB 4.03Å; V684-L712 HydrophobicContact CG1-CD1 4.45Å; V684-L712 HydrophobicContact CG1-CD2 4.19Å; V684-L712 HydrophobicContact CG1-CG 4.46Å; V684-I715 HydrophobicContact CG2-CG2 4.43Å; V684-A716 HydrophobicContact CB-CB 4.12Å; V684-A716 HydrophobicContact CG2-CB 3.8Å; V684-R723 PolarHBondContact N-O 3.42Å; V684-F724 HydrophobicContact CB-CD2 4.12Å; V684-F724 HydrophobicContact CG1-CD2 4.23Å; V684-F724 HydrophobicContact CG1-CE2 4.32Å; V684-F724 WeakPolarHBondContact O-CA 3.27Å; V684-H725 PolarHBondContact O-N 3.46Å
685	A	93.6	Very high	72.7	Confident	3 Å²	3	49 Å²	49	3%	0.025	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	108.9	173.1	0	0	0	0	0	109.1	F543 I653 F654 T655 H725 F727	F543-A685 HydrophobicContact CD1-CB 4.13Å; F543-A685 HydrophobicContact CE1-CB 4.39Å; I653-A685 PolarHBondContact O-N 2.96Å; F654-A685 WeakPolarHBondContact CA-O 3.42Å; F654-A685 HydrophobicContact CD2-CB 3.94Å; F654-A685 WeakPolarHBondContact CD2-O 3.2Å; T655-A685 PolarHBondContact N-O 2.88Å; A685-H725 CarbonylContact C-O 3.55Å; A685-H725 VanDerWaalsContact CA-O 3.26Å; A685-H725 WeakPolarHBondContact CA-O 3.06Å; A685-F727 HydrophobicContact CB-CE1 4.31Å
686	L	91.8	Very high	71	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	120.2	176.2	175.1	60.6	0	0	0	110.1	T655 A709 L712 F724 H725 W726 F727	T655-L686 WeakPolarHBondContact O-CA 3.25Å; L686-A709 HydrophobicContact CD2-CB 3.92Å; L686-L712 HydrophobicContact CB-CD1 4.2Å; L686-L712 HydrophobicContact CD1-CD1 3.7Å; L686-L712 HydrophobicContact CD2-CD1 4.13Å; L686-L712 HydrophobicContact CG-CD1 4.21Å; L686-F724 HydrophobicContact CB-CE2 3.96Å; L686-F724 HydrophobicContact CB-CZ 4.04Å; L686-F724 HydrophobicContact CD2-CZ 4.01Å; L686-H725 PolarHBondContact N-O 3.49Å; L686-W726 HydrophobicContact CB-CB 4.44Å; L686-W726 HydrophobicContact CB-CG 4.38Å; L686-W726 HydrophobicContact CD2-CD2 4.19Å; L686-W726 HydrophobicContact CD2-CG 3.96Å; L686-W726 HydrophobicContact CG-CG 4.29Å; L686-W726 WeakPolarHBondContact O-CA 3.35Å; L686-F727 WeakPolarHBondContact O-CD1 3.29Å; L686-F727 PolarHBondContact O-N 3.2Å
687	Y	86.8	Confident	69.2	Low	4 Å²	4	54.4 Å²	54.4	2%	0.016	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	124.5	170.1	177.1	-120.9	0	0	0	110.9	L412 Y564 H567 T655 S656 V689 F727 E729	L412-Y687 HydrophobicContact CD1-CE2 4.07Å; Y564-Y687 AromaticContact CD1-CE1 3.8Å; Y564-Y687 HydrophobicContact CD1-CE1 3.8Å; Y564-Y687 HydrophobicContact CG-CD1 4.26Å; Y564-Y687 AromaticContact CG-CE1 3.86Å; Y564-Y687 HydrophobicContact CG-CE1 3.86Å; H567-Y687 HydrophobicContact CB-CE1 4.07Å; H567-Y687 PolarHBondContact CD2-OH 3.04Å; H567-Y687 AromaticContact CG-CZ 3.99Å; H567-Y687 VanDerWaalsContact CG-OH 3.26Å; T655-Y687 PolarHBondContact O-N 3.42Å; S656-Y687 WeakPolarHBondContact CA-O 3.46Å; Y687-V689 HydrophobicContact CD1-CG2 4.32Å; Y687-V689 HydrophobicContact CE1-CG2 3.44Å; Y687-V689 VanDerWaalsContact CE1-CG2 3.44Å; Y687-V689 HydrophobicContact CE2-CG2 4.14Å; Y687-V689 WeakPolarHBondContact OH-CG2 3.45Å; Y687-F727 AromaticContact CD2-CD2 3.83Å; Y687-F727 HydrophobicContact CD2-CD2 3.83Å; Y687-F727 AromaticContact CD2-CE2 3.39Å; Y687-F727 HydrophobicContact CD2-CE2 3.39Å; Y687-F727 HydrophobicContact CD2-CZ 4Å; Y687-F727 HydrophobicContact CE2-CE2 4.16Å; Y687-F727 HydrophobicContact CG-CE2 4.14Å; Y687-F727 HydrophobicContact CG-CZ 4.32Å; Y687-E729 HydrophobicContact CE2-CG 4.41Å; Y687-E729 PolarHBondContact OH-OE1 2.94Å
688	H	76.8	Confident	67.3	Low	38 Å²	38	56.7 Å²	56.7	18%	0.176	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	132.7	176.5	-177.1	59.6	0	0	0	111.5	D690 I705 F727 R728	H688-D690 IonicContact CD2-OD1 3.95Å; H688-D690 IonicContact NE2-OD1 2.74Å; H688-I705 HydrophobicContact CB-CD1 4.48Å; H688-I705 VanDerWaalsContact ND1-CD1 3.32Å; H688-I705 WeakPolarHBondContact ND1-CD1 3.31Å; H688-F727 PolarHBondContact N-O 3.41Å; H688-R728 VanDerWaalsContact O-CA 3.26Å; H688-R728 WeakPolarHBondContact O-CA 3.12Å; H688-R728 WeakPolarHBondContact O-CB 3.21Å
689	V	61.8	Low	65.6	Low	16 Å²	16	53.2 Å²	53.2	10%	0.097	27%	0.274	C	S	.	.			trans	-111.7	133.9	168.2	-178.3	0	0	0	0	107.9	Y564 Y687 N691	Y564-V689 HydrophobicContact CD1-CB 4.42Å; Y564-V689 HydrophobicContact CD1-CG2 3.68Å; Y564-V689 HydrophobicContact CE1-CB 3.57Å; Y564-V689 HydrophobicContact CE1-CG1 4.15Å; Y564-V689 HydrophobicContact CE1-CG2 3.31Å; Y687-V689 HydrophobicContact CD1-CG2 4.32Å; Y687-V689 HydrophobicContact CE1-CG2 3.44Å; Y687-V689 VanDerWaalsContact CE1-CG2 3.44Å; Y687-V689 HydrophobicContact CE2-CG2 4.14Å; Y687-V689 WeakPolarHBondContact OH-CG2 3.45Å; V689-N691 PolarHBondContact O-N 3.41Å
690	D	55.5	Low	64	Low	78 Å²	78	52.5 Å²	52.5	42%	0.417	27%	0.273	S	S	.	.			trans	-67	74.9	176.9	-71.6	-42	0	0	0	108.7	H688 I692 R728	H688-D690 IonicContact CD2-OD1 3.95Å; H688-D690 IonicContact NE2-OD1 2.74Å; D690-I692 PolarHBondContact O-N 3.11Å; D690-R728 IonicContact OD2-NH1 3.79Å; D690-R728 PolarHBondContact OD2-NH1 2.95Å
691	N	47.1	Very low	62.3	Low	91 Å²	91	56.6 Å²	56.6	49%	0.487	29%	0.288	S	S	.	.			trans	-67.3	107.2	176.4	-76.2	-6.8	0	0	0	107.9	Y564 V689 I693	Y564-N691 VanDerWaalsContact OH-CG 3.3Å; Y564-N691 PolarHBondContact OH-ND2 2.9Å; Y564-N691 PolarHBondContact OH-OD1 2.96Å; V689-N691 PolarHBondContact O-N 3.41Å; N691-I693 PolarHBondContact O-N 2.92Å
692	I	39.8	Very low	60.7	Low	105 Å²	105	57.9 Å²	57.9	54%	0.538	29%	0.292	S	S	.	.			trans	-50.8	116.2	150.2	-59.3	170.1	0	0	0	104.3	S407 D690 T694	S407-I692 WeakPolarHBondContact OG-CD1 3.43Å; D690-I692 PolarHBondContact O-N 3.11Å; I692-T694 PolarHBondContact O-N 3.3Å
693	I	37.2	Very low	58.7	Low	139 Å²	139	60.9 Å²	60.9	71%	0.713	32%	0.317	S	S	*	.			trans	-51.2	92.1	179.4	-60.1	164.3	0	0	0	106.8	N691	N691-I693 PolarHBondContact O-N 2.92Å
694	T	38.3	Very low	57.3	Low	96 Å²	96	63.7 Å²	63.7	59%	0.589	33%	0.333	S	S	*	.			trans	-74.6	126.7	160.7	47.3	0	0	0	0	103.4	I692 K696	I692-T694 PolarHBondContact O-N 3.3Å; T694-K696 PolarHBondContact O-N 2.67Å
695	D	40.4	Very low	56.4	Low	66 Å²	66	66.2 Å²	66.2	35%	0.353	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	10.6	-168.3	-75.8	-43	0	0	0	115.8	T1009 M1206	D695-T1009 VanDerWaalsContact O-CG2 3.29Å; D695-T1009 WeakPolarHBondContact O-CG2 3.36Å; D695-M1206 VanDerWaalsContact OD2-CE 3.29Å; D695-M1206 WeakPolarHBondContact OD2-CE 3.36Å
696	K	43	Very low	55.7	Low	156 Å²	156	69.8 Å²	69.8	68%	0.678	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	-13.1	-169.8	-69.4	-172.2	176	-179.4	0	116.5	T694	T694-K696 PolarHBondContact O-N 2.67Å
697	H	42.3	Very low	55.1	Low	126 Å²	126	73.7 Å²	73.7	58%	0.583	39%	0.385	S	S	*	.			trans	-124.3	110.4	179.8	-70.3	-68.8	0	0	0	112.5
698	F	38.6	Very low	54.9	Low	58 Å²	58	73.9 Å²	73.9	25%	0.254	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-60.3	145.8	175.8	-69.3	-73.9	0	0	0	111.3	C700 T1009 K1012	F698-C700 PolarHBondContact O-N 3.18Å; F698-T1009 HydrophobicContact CZ-CG2 4.04Å; F698-K1012 HydrophobicContact CD1-CB 3.72Å; F698-K1012 HydrophobicContact CD1-CD 4.06Å; F698-K1012 HydrophobicContact CD2-CD 3.95Å; F698-K1012 HydrophobicContact CE1-CB 3.12Å; F698-K1012 HydrophobicContact CE1-CD 3.49Å; F698-K1012 VanDerWaalsContact CE1-CD 3.49Å; F698-K1012 HydrophobicContact CE1-CG 3.96Å; F698-K1012 HydrophobicContact CE2-CD 3.33Å; F698-K1012 HydrophobicContact CG-CD 4.31Å; F698-K1012 HydrophobicContact CZ-CB 3.64Å; F698-K1012 HydrophobicContact CZ-CD 3.1Å; F698-K1012 HydrophobicContact CZ-CG 4.02Å
699	P	42.2	Very low	55.4	Low	61 Å²	61	72 Å²	72	40%	0.396	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-58.6	141.5	174.3	-6.9	18.4	0	0	0	109.3
700	C	49.9	Very low	56.6	Low	45 Å²	45	74.5 Å²	74.5	30%	0.304	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-57.5	172.2	170.8	-59.7	0	0	0	0	110.3	I658 F698 Y702	I658-C700 HydrophobicContact CD1-CB 3.61Å; I658-C700 HydrophobicContact CG1-CB 4.28Å; F698-C700 PolarHBondContact O-N 3.18Å; C700-Y702 CarbonylContact O-C 3.57Å; C700-Y702 WeakPolarHBondContact O-CA 3.4Å; C700-Y702 PolarHBondContact O-N 2.87Å
701	R	51	Low	58.2	Low	92 Å²	92	71 Å²	71	35%	0.347	37%	0.373	S	S	.	.	S	Bend	trans	-34.9	-35.4	-177.8	-168.4	-174.1	-79.3	-104.6	3.8	115.1	I658 D660 E1048	I658-R701 HydrophobicContact CD1-CB 4.08Å; D660-R701 PolarHBondContact O-NH2 3.29Å; R701-E1048 WeakPolarHBondContact CG-OE1 3.37Å
702	Y	56.7	Low	60.3	Low	37 Å²	37	66.7 Å²	66.7	15%	0.145	35%	0.349	C	S	.	.	S	Bend	trans	-97.5	128.1	167.9	-49	-55.7	0	0	0	112.7	I658 C700 N704 E707 S711	I658-Y702 HydrophobicContact CB-CD2 4.36Å; I658-Y702 HydrophobicContact CB-CE2 4.31Å; I658-Y702 HydrophobicContact CD1-CD2 3Å; I658-Y702 HydrophobicContact CD1-CE2 3.7Å; I658-Y702 HydrophobicContact CD1-CG 3.56Å; I658-Y702 HydrophobicContact CG1-CD2 3.44Å; I658-Y702 VanDerWaalsContact CG1-CD2 3.44Å; I658-Y702 HydrophobicContact CG1-CE2 3.83Å; I658-Y702 HydrophobicContact CG1-CG 4.44Å; I658-Y702 HydrophobicContact CG2-CD2 3.98Å; I658-Y702 HydrophobicContact CG2-CE2 3.45Å; I658-Y702 VanDerWaalsContact CG2-CE2 3.45Å; C700-Y702 CarbonylContact O-C 3.57Å; C700-Y702 WeakPolarHBondContact O-CA 3.4Å; C700-Y702 PolarHBondContact O-N 2.87Å; Y702-N704 PolarHBondContact O-N 2.82Å; Y702-N704 VanDerWaalsContact O-N 3.11Å; Y702-E707 HydrophobicContact CD1-CB 4.28Å; Y702-E707 HydrophobicContact CD2-CB 4.31Å; Y702-E707 HydrophobicContact CG-CB 3.79Å; Y702-S711 WeakPolarHBondContact CE2-OG 3.4Å; Y702-S711 PolarHBondContact OH-OG 3.4Å
703	A	50.3	Low	62.7	Low	64 Å²	64	63.3 Å²	63.3	53%	0.529	33%	0.33	S	S	.	.	S	Bend	trans	-66.1	-13.4	-177.8	0	0	0	0	0	113.8
704	N	66.7	Low	65.3	Low	62 Å²	62	62.2 Å²	62.2	33%	0.332	32%	0.322	S	S	.	.	S	Bend	trans	-133.4	150.4	178.7	71.7	60.1	0	0	0	113.3	Y702 T706 E707 T708	Y702-N704 PolarHBondContact O-N 2.82Å; Y702-N704 VanDerWaalsContact O-N 3.11Å; N704-T706 PolarHBondContact O-N 3.05Å; N704-T706 WeakPolarHBondContact OD1-CB 3.19Å; N704-T706 PolarHBondContact OD1-N 2.87Å; N704-E707 PolarHBondContact ND2-OE1 3.38Å; N704-E707 PolarHBondContact ND2-OE2 3.48Å; N704-E707 PolarHBondContact O-N 2.85Å; N704-E707 VanDerWaalsContact OD1-CB 3.27Å; N704-E707 WeakPolarHBondContact OD1-CB 3.23Å; N704-E707 VanDerWaalsContact OD1-CG 3.26Å; N704-E707 WeakPolarHBondContact OD1-CG 3.37Å; N704-E707 PolarHBondContact OD1-N 2.98Å; N704-T708 PolarHBondContact O-N 3.05Å; N704-T708 PolarHBondContact O-OG1 3.04Å
705	I	75.1	Confident	67.8	Low	53 Å²	53	57.7 Å²	57.7	27%	0.272	29%	0.294	S	S	.	.	H	α-helix	trans	-64.8	-28.2	-179.6	-171.5	63.7	0	0	0	112.7	H688 T708 A709 W726	H688-I705 HydrophobicContact CB-CD1 4.48Å; H688-I705 VanDerWaalsContact ND1-CD1 3.32Å; H688-I705 WeakPolarHBondContact ND1-CD1 3.31Å; I705-T708 HydrophobicContact CD1-CG2 4.41Å; I705-T708 WeakPolarHBondContact O-CB 3.36Å; I705-T708 PolarHBondContact O-N 3.03Å; I705-A709 PolarHBondContact O-N 3.15Å; I705-W726 HydrophobicContact CG1-CH2 4.33Å; I705-W726 HydrophobicContact CG1-CZ2 3.63Å; I705-W726 HydrophobicContact CG2-CH2 4.44Å; I705-W726 HydrophobicContact CG2-CZ2 4.34Å
706	T	79.4	Confident	70.3	Confident	78 Å²	78	54.5 Å²	54.5	48%	0.479	28%	0.277	S	S	.	.	H	α-helix	trans	-66.7	-40.6	179.4	-48.1	0	0	0	0	111.6	N704 A709 N710	N704-T706 PolarHBondContact O-N 3.05Å; N704-T706 WeakPolarHBondContact OD1-CB 3.19Å; N704-T706 PolarHBondContact OD1-N 2.87Å; T706-A709 PolarHBondContact O-N 3.13Å; T706-N710 WeakPolarHBondContact O-CB 3.3Å; T706-N710 PolarHBondContact O-N 3.03Å; T706-N710 PolarHBondContact O-ND2 3.48Å; T706-N710 PolarHBondContact O-OD1 2.86Å
707	E	78.4	Confident	72.7	Confident	82 Å²	82	51 Å²	51	38%	0.383	26%	0.263	S	S	.	.	H	α-helix	trans	-66.5	-39.2	174.1	-79.7	165.8	-162.5	0	0	110.6	Y702 N704 N710 S711	Y702-E707 HydrophobicContact CD1-CB 4.28Å; Y702-E707 HydrophobicContact CD2-CB 4.31Å; Y702-E707 HydrophobicContact CG-CB 3.79Å; N704-E707 PolarHBondContact ND2-OE1 3.38Å; N704-E707 PolarHBondContact ND2-OE2 3.48Å; N704-E707 PolarHBondContact O-N 2.85Å; N704-E707 VanDerWaalsContact OD1-CB 3.27Å; N704-E707 WeakPolarHBondContact OD1-CB 3.23Å; N704-E707 VanDerWaalsContact OD1-CG 3.26Å; N704-E707 WeakPolarHBondContact OD1-CG 3.37Å; N704-E707 PolarHBondContact OD1-N 2.98Å; E707-N710 PolarHBondContact O-N 2.77Å; E707-S711 WeakPolarHBondContact O-CB 3.46Å; E707-S711 PolarHBondContact O-N 3.22Å
708	T	82.9	Confident	74.9	Confident	8 Å²	8	45.7 Å²	45.7	5%	0.049	24%	0.24	C	C	.	.	H	α-helix	trans	-58.4	-49	170.7	-58.5	0	0	0	0	111.8	I658 N704 I705 N710 S711 L712	I658-T708 HydrophobicContact CD1-CG2 4.46Å; I658-T708 WeakPolarHBondContact CD1-OG1 3.44Å; I658-T708 HydrophobicContact CG1-CG2 3.46Å; I658-T708 VanDerWaalsContact CG1-CG2 3.46Å; I658-T708 VanDerWaalsContact CG1-OG1 3.26Å; I658-T708 WeakPolarHBondContact CG1-OG1 3.49Å; N704-T708 PolarHBondContact O-N 3.05Å; N704-T708 PolarHBondContact O-OG1 3.04Å; I705-T708 HydrophobicContact CD1-CG2 4.41Å; I705-T708 WeakPolarHBondContact O-CB 3.36Å; I705-T708 PolarHBondContact O-N 3.03Å; T708-N710 VanDerWaalsContact C-N 3.3Å; T708-N710 PolarHBondContact O-N 3.32Å; T708-S711 PolarHBondContact O-N 2.81Å; T708-L712 HydrophobicContact CG2-CD1 4.14Å; T708-L712 WeakPolarHBondContact O-CG 3.26Å; T708-L712 PolarHBondContact O-N 2.83Å; T708-L712 VanDerWaalsContact O-N 3.07Å
709	A	86.9	Confident	77.3	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.8	-36.7	176.4	0	0	0	0	0	112	L686 I705 T706 R713 F724 W726	L686-A709 HydrophobicContact CD2-CB 3.92Å; I705-A709 PolarHBondContact O-N 3.15Å; T706-A709 PolarHBondContact O-N 3.13Å; A709-R713 WeakPolarHBondContact O-CB 3.47Å; A709-R713 PolarHBondContact O-N 3.21Å; A709-F724 HydrophobicContact CB-CE1 4.32Å; A709-F724 HydrophobicContact CB-CZ 3.95Å; A709-W726 HydrophobicContact CB-CD2 4.18Å; A709-W726 HydrophobicContact CB-CE3 3.78Å; A709-W726 HydrophobicContact CB-CH2 4.18Å; A709-W726 HydrophobicContact CB-CZ3 3.78Å
710	N	88.3	Confident	79.2	Confident	67 Å²	67	44.6 Å²	44.6	36%	0.358	24%	0.238	S	C	.	.	H	α-helix	trans	-63.6	-49.7	175.5	-68.6	-16.4	0	0	0	112.6	T706 E707 T708 L712 R713 E714	T706-N710 WeakPolarHBondContact O-CB 3.3Å; T706-N710 PolarHBondContact O-N 3.03Å; T706-N710 PolarHBondContact O-ND2 3.48Å; T706-N710 PolarHBondContact O-OD1 2.86Å; E707-N710 PolarHBondContact O-N 2.77Å; T708-N710 VanDerWaalsContact C-N 3.3Å; T708-N710 PolarHBondContact O-N 3.32Å; N710-L712 PolarHBondContact O-N 3.1Å; N710-R713 VanDerWaalsContact CA-NH1 3.34Å; N710-R713 PolarHBondContact O-N 3.34Å; N710-R713 PolarHBondContact OD1-NH1 3.41Å; N710-E714 WeakPolarHBondContact O-CG 3.14Å; N710-E714 PolarHBondContact O-N 2.78Å
711	S	87.6	Confident	80.9	Confident	5 Å²	5	47.4 Å²	47.4	4%	0.035	25%	0.25	C	S	.	.	H	α-helix	trans	-59.8	-44.3	178.2	176.5	0	0	0	0	112.3	S663 Y702 E707 T708 E714 I715	S663-S711 VanDerWaalsContact CB-OG 3.23Å; S663-S711 WeakPolarHBondContact CB-OG 3.28Å; S663-S711 PolarHBondContact OG-OG 3.04Å; Y702-S711 WeakPolarHBondContact CE2-OG 3.4Å; Y702-S711 PolarHBondContact OH-OG 3.4Å; E707-S711 WeakPolarHBondContact O-CB 3.46Å; E707-S711 PolarHBondContact O-N 3.22Å; T708-S711 PolarHBondContact O-N 2.81Å; S711-E714 PolarHBondContact O-N 3.3Å; S711-I715 WeakPolarHBondContact O-CG1 3.27Å; S711-I715 PolarHBondContact O-N 3.15Å; S711-I715 VanDerWaalsContact O-N 3.08Å
712	L	90.8	Very high	82.8	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-69.1	-33.6	176.8	-71.7	176.2	0	0	0	113.2	T655 P659 V684 L686 T708 N710 I715 A716 F724	T655-L712 HydrophobicContact CG2-CD1 3.67Å; T655-L712 HydrophobicContact CG2-CD2 3.95Å; T655-L712 HydrophobicContact CG2-CG 4.49Å; P659-L712 HydrophobicContact CG-CD2 4.26Å; V684-L712 HydrophobicContact CG1-CB 4.03Å; V684-L712 HydrophobicContact CG1-CD1 4.45Å; V684-L712 HydrophobicContact CG1-CD2 4.19Å; V684-L712 HydrophobicContact CG1-CG 4.46Å; L686-L712 HydrophobicContact CB-CD1 4.2Å; L686-L712 HydrophobicContact CD1-CD1 3.7Å; L686-L712 HydrophobicContact CD2-CD1 4.13Å; L686-L712 HydrophobicContact CG-CD1 4.21Å; T708-L712 HydrophobicContact CG2-CD1 4.14Å; T708-L712 WeakPolarHBondContact O-CG 3.26Å; T708-L712 PolarHBondContact O-N 2.83Å; T708-L712 VanDerWaalsContact O-N 3.07Å; N710-L712 PolarHBondContact O-N 3.1Å; L712-I715 HydrophobicContact CD2-CD1 4.33Å; L712-I715 PolarHBondContact O-N 3.34Å; L712-A716 PolarHBondContact O-N 2.89Å; L712-F724 HydrophobicContact CB-CD2 4.4Å; L712-F724 HydrophobicContact CB-CE2 3.77Å
713	R	91.6	Very high	84.5	Confident	35 Å²	35	42.4 Å²	42.4	13%	0.132	23%	0.234	C	C	.	.	H	α-helix	trans	-65.8	-41.8	173.6	-169.8	-174.7	-54.5	93.3	0.7	111.1	A709 N710 I715 A716 H717 F724 E734	A709-R713 WeakPolarHBondContact O-CB 3.47Å; A709-R713 PolarHBondContact O-N 3.21Å; N710-R713 VanDerWaalsContact CA-NH1 3.34Å; N710-R713 PolarHBondContact O-N 3.34Å; N710-R713 PolarHBondContact OD1-NH1 3.41Å; R713-I715 VanDerWaalsContact C-N 3.33Å; R713-I715 PolarHBondContact O-N 2.75Å; R713-A716 PolarHBondContact O-N 2.76Å; R713-H717 VanDerWaalsContact CG-CE1 3.41Å; R713-H717 WeakPolarHBondContact CG-CE1 3.39Å; R713-H717 WeakPolarHBondContact O-CB 3.31Å; R713-H717 PolarHBondContact O-N 3.42Å; R713-F724 HydrophobicContact CB-CB 4.32Å; R713-F724 HydrophobicContact CB-CD1 4.09Å; R713-F724 HydrophobicContact CB-CD2 4.24Å; R713-F724 HydrophobicContact CB-CE1 4.46Å; R713-F724 HydrophobicContact CB-CG 3.96Å; R713-F724 HydrophobicContact CG-CB 3.97Å; R713-F724 HydrophobicContact CG-CD1 4.11Å; R713-F724 HydrophobicContact CG-CG 4.05Å; R713-E734 IonicContact CZ-OE1 3.73Å; R713-E734 VanDerWaalsContact CZ-OE1 3.31Å; R713-E734 IonicContact CZ-OE2 3.15Å; R713-E734 IonicContact NE-OE1 2.76Å; R713-E734 PolarHBondContact NE-OE1 3.21Å; R713-E734 IonicContact NE-OE2 2.81Å; R713-E734 IonicContact NH2-OE1 2.95Å; R713-E734 PolarHBondContact NH2-OE1 3.39Å; R713-E734 VanDerWaalsContact NH2-OE1 3.08Å; R713-E734 IonicContact NH2-OE2 3.79Å; R713-E734 PolarHBondContact NH2-OE2 3.43Å
714	E	90.7	Very high	86.6	Confident	116 Å²	116	39.4 Å²	39.4	54%	0.542	21%	0.209	S	C	.	.	H	α-helix	trans	-59.8	-42.9	173.3	-73.6	175.9	179.3	0	0	111.7	N710 S711 A716 H717 S718	N710-E714 WeakPolarHBondContact O-CG 3.14Å; N710-E714 PolarHBondContact O-N 2.78Å; S711-E714 PolarHBondContact O-N 3.3Å; E714-A716 PolarHBondContact O-N 2.91Å; E714-H717 PolarHBondContact O-N 3.35Å; E714-S718 PolarHBondContact O-N 3.2Å
715	I	91.9	Very high	87.8	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.4	-44.7	175.7	-68.2	166.5	0	0	0	111.2	P659 I666 L670 V684 S711 L712 R713 S718	P659-I715 HydrophobicContact CG-CD1 4.14Å; I666-I715 HydrophobicContact CB-CD1 4.26Å; I666-I715 HydrophobicContact CB-CG1 4.3Å; I666-I715 HydrophobicContact CD1-CD1 3.9Å; I666-I715 HydrophobicContact CG2-CD1 4.14Å; I666-I715 HydrophobicContact CG2-CG1 4.09Å; I666-I715 HydrophobicContact CG2-CG2 3.89Å; L670-I715 HydrophobicContact CD1-CG2 3.97Å; V684-I715 HydrophobicContact CG2-CG2 4.43Å; S711-I715 WeakPolarHBondContact O-CG1 3.27Å; S711-I715 PolarHBondContact O-N 3.15Å; S711-I715 VanDerWaalsContact O-N 3.08Å; L712-I715 HydrophobicContact CD2-CD1 4.33Å; L712-I715 PolarHBondContact O-N 3.34Å; R713-I715 VanDerWaalsContact C-N 3.33Å; R713-I715 PolarHBondContact O-N 2.75Å; I715-S718 WeakPolarHBondContact O-CB 3.06Å; I715-S718 PolarHBondContact O-N 3.34Å; I715-S718 PolarHBondContact O-OG 2.87Å
716	A	92.5	Very high	88.5	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.7	-49.2	176	0	0	0	0	0	111.5	V684 L712 R713 E714 S718 T719 G722 F724	V684-A716 HydrophobicContact CB-CB 4.12Å; V684-A716 HydrophobicContact CG2-CB 3.8Å; L712-A716 PolarHBondContact O-N 2.89Å; R713-A716 PolarHBondContact O-N 2.76Å; E714-A716 PolarHBondContact O-N 2.91Å; A716-S718 PolarHBondContact O-N 2.6Å; A716-T719 PolarHBondContact O-N 3.02Å; A716-T719 PolarHBondContact O-OG1 3.44Å; A716-T719 VanDerWaalsContact O-OG1 3.13Å; A716-G722 WeakPolarHBondContact O-CA 3.48Å; A716-F724 HydrophobicContact CB-CB 4.26Å
717	H	92.8	Very high	88.7	Confident	82 Å²	82	31.6 Å²	31.6	38%	0.38	16%	0.163	S	C	.	.	H	α-helix	trans	-74.6	-4.4	-176.5	-64.7	169.2	0	0	0	114.4	R713 E714 T719 G722 D736	R713-H717 VanDerWaalsContact CG-CE1 3.41Å; R713-H717 WeakPolarHBondContact CG-CE1 3.39Å; R713-H717 WeakPolarHBondContact O-CB 3.31Å; R713-H717 PolarHBondContact O-N 3.42Å; E714-H717 PolarHBondContact O-N 3.35Å; H717-T719 PolarHBondContact O-N 3.09Å; H717-G722 PolarHBondContact CD2-O 2.99Å; H717-D736 IonicContact CD2-OD2 3.36Å; H717-D736 IonicContact CE1-OD2 3.14Å; H717-D736 IonicContact NE2-OD1 3.15Å; H717-D736 IonicContact NE2-OD2 3.3Å; H717-D736 PolarHBondContact NE2-OD2 3.01Å
718	S	89.8	Confident	88.6	Confident	14 Å²	14	31.9 Å²	31.9	10%	0.098	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-21	167.7	72.7	0	0	0	0	112.7	L670 E714 I715 A716	L670-S718 WeakPolarHBondContact CD1-OG 3.18Å; E714-S718 PolarHBondContact O-N 3.2Å; I715-S718 WeakPolarHBondContact O-CB 3.06Å; I715-S718 PolarHBondContact O-N 3.34Å; I715-S718 PolarHBondContact O-OG 2.87Å; A716-S718 PolarHBondContact O-N 2.6Å
719	T	87.1	Confident	87.7	Confident	7 Å²	7	32 Å²	32	4%	0.043	16%	0.161	C	C	.	.	S	Bend	trans	-105.6	144.2	172.4	62	0	0	0	0	111.7	V682 A716 H717 N721 G722	V682-T719 HydrophobicContact CB-CG2 4Å; V682-T719 HydrophobicContact CG2-CG2 3.85Å; V682-T719 PolarHBondContact N-OG1 3.44Å; V682-T719 PolarHBondContact O-OG1 3.4Å; A716-T719 PolarHBondContact O-N 3.02Å; A716-T719 PolarHBondContact O-OG1 3.44Å; A716-T719 VanDerWaalsContact O-OG1 3.13Å; H717-T719 PolarHBondContact O-N 3.09Å; T719-N721 PolarHBondContact O-N 3.18Å; T719-G722 PolarHBondContact O-N 2.74Å; T719-G722 VanDerWaalsContact O-N 3.07Å; T719-G722 WeakPolarHBondContact OG1-CA 3.43Å; T719-G722 PolarHBondContact OG1-N 3.43Å
720	P	82.8	Confident	86.3	Confident	89 Å²	89	36.6 Å²	36.6	58%	0.578	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-36.5	-168.4	-23.6	33.3	0	0	0	115.1
721	N	86.8	Confident	85.3	Confident	104 Å²	104	34.9 Å²	34.9	56%	0.556	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109	14.8	176.3	-44	-60.2	0	0	0	112.4	D681 H683 T719	D681-N721 HydrophobicContact CB-CB 4.42Å; D681-N721 WeakPolarHBondContact OD1-CB 3.43Å; D681-N721 PolarHBondContact OD1-N 2.62Å; D681-N721 PolarHBondContact OD1-ND2 3.34Å; D681-N721 PolarHBondContact OD2-ND2 3Å; H683-N721 PolarHBondContact CE1-O 3.39Å; T719-N721 PolarHBondContact O-N 3.18Å
722	G	89.7	Confident	84.7	Confident	9 Å²	9	37 Å²	37	9%	0.093	19%	0.193	C	C	.	.			trans	-61.6	140.9	177.3	0	0	0	0	0	111.7	V682 A716 H717 T719	V682-G722 WeakPolarHBondContact O-CA 3.48Å; A716-G722 WeakPolarHBondContact O-CA 3.48Å; H717-G722 PolarHBondContact CD2-O 2.99Å; T719-G722 PolarHBondContact O-N 2.74Å; T719-G722 VanDerWaalsContact O-N 3.07Å; T719-G722 WeakPolarHBondContact OG1-CA 3.43Å; T719-G722 PolarHBondContact OG1-N 3.43Å
723	R	92.7	Very high	84.1	Confident	16 Å²	16	39.2 Å²	39.2	6%	0.06	21%	0.205	C	C	.	.			trans	-129.2	137.7	-173.6	-66.9	176.3	-67.3	163.8	0.6	110.3	T545 Y652 H683 V684 D736 D737	T545-R723 VanDerWaalsContact O-CZ 3.27Å; T545-R723 PolarHBondContact O-NH1 2.82Å; T545-R723 PolarHBondContact O-NH2 3.48Å; Y652-R723 PolarHBondContact OH-NH2 2.84Å; H683-R723 CarbonylContact C-O 3.49Å; H683-R723 WeakPolarHBondContact CA-O 3.42Å; H683-R723 WeakPolarHBondContact CB-O 3.31Å; H683-R723 PolarHBondContact CE1-NE 2.88Å; H683-R723 WeakPolarHBondContact ND1-CB 3.22Å; H683-R723 PolarHBondContact ND1-N 2.93Å; H683-R723 VanDerWaalsContact ND1-N 3.12Å; H683-R723 PolarHBondContact ND1-NE 3.35Å; V684-R723 PolarHBondContact N-O 3.42Å; R723-D736 WeakPolarHBondContact CA-OD2 3.37Å; R723-D736 HydrophobicContact CB-CB 4.36Å; R723-D736 HydrophobicContact CG-CB 4.46Å; R723-D737 WeakPolarHBondContact CD-OD1 3.32Å; R723-D737 IonicContact CZ-OD2 3Å; R723-D737 IonicContact NH1-OD1 3.73Å; R723-D737 IonicContact NH1-OD2 3.97Å; R723-D737 PolarHBondContact NH1-OD2 2.82Å
724	F	94	Very high	83.9	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.1	175	-178.3	-109.1	0	0	0	110.7	V684 L686 A709 L712 R713 A716 W726 S735 D736	V684-F724 HydrophobicContact CB-CD2 4.12Å; V684-F724 HydrophobicContact CG1-CD2 4.23Å; V684-F724 HydrophobicContact CG1-CE2 4.32Å; V684-F724 WeakPolarHBondContact O-CA 3.27Å; L686-F724 HydrophobicContact CB-CE2 3.96Å; L686-F724 HydrophobicContact CB-CZ 4.04Å; L686-F724 HydrophobicContact CD2-CZ 4.01Å; A709-F724 HydrophobicContact CB-CE1 4.32Å; A709-F724 HydrophobicContact CB-CZ 3.95Å; L712-F724 HydrophobicContact CB-CD2 4.4Å; L712-F724 HydrophobicContact CB-CE2 3.77Å; R713-F724 HydrophobicContact CB-CB 4.32Å; R713-F724 HydrophobicContact CB-CD1 4.09Å; R713-F724 HydrophobicContact CB-CD2 4.24Å; R713-F724 HydrophobicContact CB-CE1 4.46Å; R713-F724 HydrophobicContact CB-CG 3.96Å; R713-F724 HydrophobicContact CG-CB 3.97Å; R713-F724 HydrophobicContact CG-CD1 4.11Å; R713-F724 HydrophobicContact CG-CG 4.05Å; A716-F724 HydrophobicContact CB-CB 4.26Å; F724-W726 HydrophobicContact CE1-CB 3.65Å; F724-W726 HydrophobicContact CE1-CG 4.46Å; F724-W726 HydrophobicContact CZ-CB 3.8Å; F724-W726 HydrophobicContact CZ-CG 4.37Å; F724-S735 WeakPolarHBondContact O-CA 3.29Å; F724-D736 PolarHBondContact N-OD2 2.86Å; F724-D736 PolarHBondContact O-N 3.34Å
725	H	92.1	Very high	83.8	Confident	5 Å²	5	34.4 Å²	34.4	2%	0.023	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	120.4	176.3	-57.9	-67.8	0	0	0	108.6	Y542 F543 V684 A685 L686 S735 D737	Y542-H725 WeakPolarHBondContact O-CB 3.3Å; F543-H725 PolarHBondContact O-CD2 3.29Å; V684-H725 PolarHBondContact O-N 3.46Å; A685-H725 CarbonylContact C-O 3.55Å; A685-H725 VanDerWaalsContact CA-O 3.26Å; A685-H725 WeakPolarHBondContact CA-O 3.06Å; L686-H725 PolarHBondContact N-O 3.49Å; H725-S735 PolarHBondContact CE1-OG 2.9Å; H725-S735 PolarHBondContact ND1-OG 3.3Å; H725-D737 IonicContact CE1-OD2 2.7Å; H725-D737 PolarHBondContact CE1-OD2 3.33Å; H725-D737 IonicContact NE2-OD2 2.76Å
726	W	88.9	Confident	83.7	Confident	24 Å²	24	35 Å²	35	9%	0.091	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	120.8	178	-177.9	17.6	0	0	0	109.4	L686 I705 A709 F724 I733 E734	L686-W726 HydrophobicContact CB-CB 4.44Å; L686-W726 HydrophobicContact CB-CG 4.38Å; L686-W726 HydrophobicContact CD2-CD2 4.19Å; L686-W726 HydrophobicContact CD2-CG 3.96Å; L686-W726 HydrophobicContact CG-CG 4.29Å; L686-W726 WeakPolarHBondContact O-CA 3.35Å; I705-W726 HydrophobicContact CG1-CH2 4.33Å; I705-W726 HydrophobicContact CG1-CZ2 3.63Å; I705-W726 HydrophobicContact CG2-CH2 4.44Å; I705-W726 HydrophobicContact CG2-CZ2 4.34Å; A709-W726 HydrophobicContact CB-CD2 4.18Å; A709-W726 HydrophobicContact CB-CE3 3.78Å; A709-W726 HydrophobicContact CB-CH2 4.18Å; A709-W726 HydrophobicContact CB-CZ3 3.78Å; F724-W726 HydrophobicContact CE1-CB 3.65Å; F724-W726 HydrophobicContact CE1-CG 4.46Å; F724-W726 HydrophobicContact CZ-CB 3.8Å; F724-W726 HydrophobicContact CZ-CG 4.37Å; W726-I733 HydrophobicContact CD2-CB 4Å; W726-I733 HydrophobicContact CD2-CD1 4.11Å; W726-I733 HydrophobicContact CD2-CG2 3.83Å; W726-I733 HydrophobicContact CE3-CB 4.28Å; W726-I733 HydrophobicContact CE3-CG2 3.66Å; W726-I733 HydrophobicContact CG-CB 4.12Å; W726-I733 HydrophobicContact CG-CD1 4.31Å; W726-I733 HydrophobicContact CG-CG2 4.46Å; W726-I733 HydrophobicContact CH2-CG2 4.24Å; W726-I733 HydrophobicContact CZ2-CD1 4Å; W726-I733 HydrophobicContact CZ2-CG2 4.37Å; W726-I733 HydrophobicContact CZ3-CG2 3.89Å; W726-I733 WeakPolarHBondContact O-CA 3.44Å; W726-I733 PolarHBondContact O-N 2.77Å; W726-E734 HydrophobicContact CB-CB 4.16Å; W726-E734 HydrophobicContact CE3-CB 4.23Å; W726-E734 PolarHBondContact N-O 2.88Å; W726-E734 PolarHBondContact O-N 3.3Å
727	F	85.4	Confident	83.6	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	161.3	-177.4	68.1	-82.5	0	0	0	110.9	Y542 F654 A685 L686 Y687 H688	Y542-F727 AromaticContact CD1-CD2 3.42Å; Y542-F727 HydrophobicContact CD1-CD2 3.42Å; Y542-F727 VanDerWaalsContact CD1-CD2 3.42Å; Y542-F727 AromaticContact CD1-CE2 3.44Å; Y542-F727 HydrophobicContact CD1-CE2 3.44Å; Y542-F727 VanDerWaalsContact CD1-CE2 3.44Å; Y542-F727 AromaticContact CD1-CG 3.96Å; Y542-F727 HydrophobicContact CD1-CG 3.96Å; Y542-F727 HydrophobicContact CD1-CZ 4.03Å; Y542-F727 HydrophobicContact CE1-CD2 4.17Å; Y542-F727 HydrophobicContact CE1-CE2 4.27Å; Y542-F727 HydrophobicContact CG-CD2 4.21Å; Y542-F727 AromaticContact CG-CE2 3.84Å; Y542-F727 HydrophobicContact CG-CE2 3.84Å; Y542-F727 AromaticContact CG-CZ 4Å; Y542-F727 HydrophobicContact CG-CZ 4Å; F654-F727 AromaticContact CE2-CE1 3.93Å; F654-F727 HydrophobicContact CE2-CE1 3.93Å; F654-F727 AromaticContact CE2-CZ 3.53Å; F654-F727 HydrophobicContact CE2-CZ 3.53Å; F654-F727 HydrophobicContact CZ-CZ 4.09Å; A685-F727 HydrophobicContact CB-CE1 4.31Å; L686-F727 WeakPolarHBondContact O-CD1 3.29Å; L686-F727 PolarHBondContact O-N 3.2Å; Y687-F727 AromaticContact CD2-CD2 3.83Å; Y687-F727 HydrophobicContact CD2-CD2 3.83Å; Y687-F727 AromaticContact CD2-CE2 3.39Å; Y687-F727 HydrophobicContact CD2-CE2 3.39Å; Y687-F727 HydrophobicContact CD2-CZ 4Å; Y687-F727 HydrophobicContact CE2-CE2 4.16Å; Y687-F727 HydrophobicContact CG-CE2 4.14Å; Y687-F727 HydrophobicContact CG-CZ 4.32Å; H688-F727 PolarHBondContact N-O 3.41Å
728	R	75.7	Confident	83.3	Confident	88 Å²	88	32.1 Å²	32.1	33%	0.332	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	-175	173.1	60.3	172.8	176.2	175.5	-0.2	109.2	H688 D690 N730 G731 I733	H688-R728 VanDerWaalsContact O-CA 3.26Å; H688-R728 WeakPolarHBondContact O-CA 3.12Å; H688-R728 WeakPolarHBondContact O-CB 3.21Å; D690-R728 IonicContact OD2-NH1 3.79Å; D690-R728 PolarHBondContact OD2-NH1 2.95Å; R728-N730 HydrophobicContact CG-CB 4.38Å; R728-N730 PolarHBondContact O-N 3.02Å; R728-G731 PolarHBondContact N-O 3.43Å; R728-G731 PolarHBondContact O-N 3.35Å; R728-G731 VanDerWaalsContact O-N 3.11Å; R728-I733 HydrophobicContact CB-CD1 3.92Å; R728-I733 HydrophobicContact CB-CG1 4.41Å; R728-I733 HydrophobicContact CG-CD1 3.86Å; R728-I733 HydrophobicContact CG-CG1 3.88Å
729	E	64.2	Low	83.3	Confident	12 Å²	12	36.3 Å²	36.3	6%	0.056	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-42.4	175.4	-73	180	-158.1	0	0	113	Y410 Y411 L412 H567 Y687 G731	Y410-E729 VanDerWaalsContact CA-OE2 3.26Å; Y410-E729 WeakPolarHBondContact CA-OE2 3.21Å; Y411-E729 CarbonylContact C-O 3.54Å; Y411-E729 PolarHBondContact N-OE2 2.91Å; L412-E729 HydrophobicContact CB-CB 4.41Å; L412-E729 HydrophobicContact CB-CG 4.33Å; L412-E729 HydrophobicContact CD1-CB 4.43Å; L412-E729 HydrophobicContact CD1-CG 4.07Å; L412-E729 HydrophobicContact CG-CB 4.3Å; L412-E729 HydrophobicContact CG-CG 4.36Å; L412-E729 WeakPolarHBondContact CG-O 3.44Å; L412-E729 PolarHBondContact N-O 3.16Å; H567-E729 IonicContact NE2-OE1 3.83Å; Y687-E729 HydrophobicContact CE2-CG 4.41Å; Y687-E729 PolarHBondContact OH-OE1 2.94Å; E729-G731 PolarHBondContact O-N 3.46Å; E729-G731 VanDerWaalsContact O-N 3.12Å
730	N	56.8	Low	83.5	Confident	96 Å²	96	37.8 Å²	37.8	51%	0.513	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	9.9	-177.5	-53.8	-2.5	0	0	0	114.1	R728	R728-N730 HydrophobicContact CG-CB 4.38Å; R728-N730 PolarHBondContact O-N 3.02Å
731	G	66.4	Low	83.9	Confident	30 Å²	30	33.5 Å²	33.5	31%	0.309	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	112.7	-165.5	178.8	0	0	0	0	0	115.1	R728 E729 I733	R728-G731 PolarHBondContact N-O 3.43Å; R728-G731 PolarHBondContact O-N 3.35Å; R728-G731 VanDerWaalsContact O-N 3.11Å; E729-G731 PolarHBondContact O-N 3.46Å; E729-G731 VanDerWaalsContact O-N 3.12Å; G731-I733 PolarHBondContact O-N 2.9Å
732	I	75.3	Confident	84	Confident	49 Å²	49	30.7 Å²	30.7	25%	0.251	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	125.5	-175.1	-53.8	-177.9	0	0	0	110.6	T536 G541 E734 V738	T536-I732 HydrophobicContact CG2-CD1 3.85Å; T536-I732 HydrophobicContact CG2-CG1 4.49Å; G541-I732 VanDerWaalsContact O-CG1 3.29Å; G541-I732 WeakPolarHBondContact O-CG1 3.39Å; I732-E734 WeakPolarHBondContact CG2-O 3.45Å; I732-V738 HydrophobicContact CD1-CG2 4.17Å
733	I	79.7	Confident	83.9	Confident	47 Å²	47	34.6 Å²	34.6	24%	0.241	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-53.4	170.6	-62.3	170.4	0	0	0	109	W726 R728 G731 R812	W726-I733 HydrophobicContact CD2-CB 4Å; W726-I733 HydrophobicContact CD2-CD1 4.11Å; W726-I733 HydrophobicContact CD2-CG2 3.83Å; W726-I733 HydrophobicContact CE3-CB 4.28Å; W726-I733 HydrophobicContact CE3-CG2 3.66Å; W726-I733 HydrophobicContact CG-CB 4.12Å; W726-I733 HydrophobicContact CG-CD1 4.31Å; W726-I733 HydrophobicContact CG-CG2 4.46Å; W726-I733 HydrophobicContact CH2-CG2 4.24Å; W726-I733 HydrophobicContact CZ2-CD1 4Å; W726-I733 HydrophobicContact CZ2-CG2 4.37Å; W726-I733 HydrophobicContact CZ3-CG2 3.89Å; W726-I733 WeakPolarHBondContact O-CA 3.44Å; W726-I733 PolarHBondContact O-N 2.77Å; R728-I733 HydrophobicContact CB-CD1 3.92Å; R728-I733 HydrophobicContact CB-CG1 4.41Å; R728-I733 HydrophobicContact CG-CD1 3.86Å; R728-I733 HydrophobicContact CG-CG1 3.88Å; G731-I733 PolarHBondContact O-N 2.9Å; I733-R812 PolarHBondContact O-NH2 2.87Å
734	E	85.8	Confident	83.8	Confident	42 Å²	42	35.1 Å²	35.1	20%	0.196	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	143.1	179.6	-170.2	-179.8	153.8	0	0	109.7	R713 W726 I732	R713-E734 IonicContact CZ-OE1 3.73Å; R713-E734 VanDerWaalsContact CZ-OE1 3.31Å; R713-E734 IonicContact CZ-OE2 3.15Å; R713-E734 IonicContact NE-OE1 2.76Å; R713-E734 PolarHBondContact NE-OE1 3.21Å; R713-E734 IonicContact NE-OE2 2.81Å; R713-E734 IonicContact NH2-OE1 2.95Å; R713-E734 PolarHBondContact NH2-OE1 3.39Å; R713-E734 VanDerWaalsContact NH2-OE1 3.08Å; R713-E734 IonicContact NH2-OE2 3.79Å; R713-E734 PolarHBondContact NH2-OE2 3.43Å; W726-E734 HydrophobicContact CB-CB 4.16Å; W726-E734 HydrophobicContact CE3-CB 4.23Å; W726-E734 PolarHBondContact N-O 2.88Å; W726-E734 PolarHBondContact O-N 3.3Å; I732-E734 WeakPolarHBondContact CG2-O 3.45Å
735	S	88.8	Confident	83.6	Confident	8 Å²	8	36.1 Å²	36.1	6%	0.056	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	127.9	175.5	166.9	0	0	0	0	108	F724 H725 D737 V738 R739	F724-S735 WeakPolarHBondContact O-CA 3.29Å; H725-S735 PolarHBondContact CE1-OG 2.9Å; H725-S735 PolarHBondContact ND1-OG 3.3Å; S735-D737 VanDerWaalsContact C-N 3.26Å; S735-D737 PolarHBondContact O-N 3.15Å; S735-V738 PolarHBondContact O-N 3.24Å; S735-V738 VanDerWaalsContact O-N 3.1Å; S735-R739 WeakPolarHBondContact O-CB 3.48Å; S735-R739 PolarHBondContact O-N 3.13Å
736	D	91.3	Very high	83.4	Confident	14 Å²	14	40.9 Å²	40.9	8%	0.075	21%	0.208	C	C	.	.	H	α-helix	trans	-57.7	-41.9	178.4	-75.6	-23.4	0	0	0	111.8	H717 R723 F724 V738 R739 V740	H717-D736 IonicContact CD2-OD2 3.36Å; H717-D736 IonicContact CE1-OD2 3.14Å; H717-D736 IonicContact NE2-OD1 3.15Å; H717-D736 IonicContact NE2-OD2 3.3Å; H717-D736 PolarHBondContact NE2-OD2 3.01Å; R723-D736 WeakPolarHBondContact CA-OD2 3.37Å; R723-D736 HydrophobicContact CB-CB 4.36Å; R723-D736 HydrophobicContact CG-CB 4.46Å; F724-D736 PolarHBondContact N-OD2 2.86Å; F724-D736 PolarHBondContact O-N 3.34Å; D736-V738 VanDerWaalsContact C-N 3.27Å; D736-V738 PolarHBondContact O-N 2.93Å; D736-R739 PolarHBondContact O-N 3.11Å; D736-R739 IonicContact OD1-CZ 3.63Å; D736-R739 IonicContact OD1-NE 3.64Å; D736-R739 IonicContact OD1-NH2 3.32Å; D736-R739 PolarHBondContact OD1-NH2 3.38Å; D736-V740 WeakPolarHBondContact O-CG2 3.45Å; D736-V740 PolarHBondContact O-N 3.23Å
737	D	89	Confident	83.4	Confident	6 Å²	6	42.5 Å²	42.5	3%	0.032	22%	0.217	C	C	.	.	H	α-helix	trans	-63.1	-32.6	178.1	-81.1	-28.7	0	0	0	112.9	S446 L535 R723 H725 S735 L741	S446-D737 WeakPolarHBondContact CB-O 3.45Å; S446-D737 PolarHBondContact OG-O 2.95Å; L535-D737 HydrophobicContact CD1-CB 4.14Å; R723-D737 WeakPolarHBondContact CD-OD1 3.32Å; R723-D737 IonicContact CZ-OD2 3Å; R723-D737 IonicContact NH1-OD1 3.73Å; R723-D737 IonicContact NH1-OD2 3.97Å; R723-D737 PolarHBondContact NH1-OD2 2.82Å; H725-D737 IonicContact CE1-OD2 2.7Å; H725-D737 PolarHBondContact CE1-OD2 3.33Å; H725-D737 IonicContact NE2-OD2 2.76Å; S735-D737 VanDerWaalsContact C-N 3.26Å; S735-D737 PolarHBondContact O-N 3.15Å; D737-L741 WeakPolarHBondContact O-CG 3.42Å
738	V	87.8	Confident	83.6	Confident	15 Å²	15	42.5 Å²	42.5	9%	0.091	22%	0.217	C	C	.	.	H	α-helix	trans	-83.2	-38.5	178.7	178.1	0	0	0	0	110.6	I532 L535 I732 S735 D736 V740 L741 L742	I532-V738 HydrophobicContact CG1-CG1 4.48Å; I532-V738 HydrophobicContact CG2-CG1 4.14Å; L535-V738 HydrophobicContact CB-CG2 4.42Å; L535-V738 HydrophobicContact CD1-CG2 4.32Å; I732-V738 HydrophobicContact CD1-CG2 4.17Å; S735-V738 PolarHBondContact O-N 3.24Å; S735-V738 VanDerWaalsContact O-N 3.1Å; D736-V738 VanDerWaalsContact C-N 3.27Å; D736-V738 PolarHBondContact O-N 2.93Å; V738-V740 PolarHBondContact O-N 3.41Å; V738-L741 PolarHBondContact O-N 3.35Å; V738-L742 HydrophobicContact CG1-CD1 3.93Å; V738-L742 HydrophobicContact CG1-CG 4.18Å; V738-L742 WeakPolarHBondContact O-CG 3.29Å; V738-L742 PolarHBondContact O-N 3.46Å
739	R	89.8	Confident	84.1	Confident	101 Å²	101	41 Å²	41	38%	0.381	22%	0.217	S	C	.	.	H	α-helix	trans	-58	-48.6	-179.8	177.4	166.6	57.8	160.2	2.6	112	S735 D736 L741 L742 D743	S735-R739 WeakPolarHBondContact O-CB 3.48Å; S735-R739 PolarHBondContact O-N 3.13Å; D736-R739 PolarHBondContact O-N 3.11Å; D736-R739 IonicContact OD1-CZ 3.63Å; D736-R739 IonicContact OD1-NE 3.64Å; D736-R739 IonicContact OD1-NH2 3.32Å; D736-R739 PolarHBondContact OD1-NH2 3.38Å; R739-L741 VanDerWaalsContact C-N 3.26Å; R739-L741 PolarHBondContact O-N 2.92Å; R739-L742 WeakPolarHBondContact O-CB 3.43Å; R739-L742 PolarHBondContact O-N 3.42Å; R739-D743 VanDerWaalsContact O-CG 3.32Å; R739-D743 PolarHBondContact O-N 3.2Å
740	V	90.5	Very high	85.2	Confident	38 Å²	38	43 Å²	43	23%	0.23	23%	0.232	C	C	.	.	H	α-helix	trans	-60.8	-36.3	179	-177.2	0	0	0	0	111.6	L450 D736 V738 E744	L450-V740 HydrophobicContact CD1-CB 4.43Å; L450-V740 HydrophobicContact CD1-CG1 3.42Å; L450-V740 VanDerWaalsContact CD1-CG1 3.42Å; D736-V740 WeakPolarHBondContact O-CG2 3.45Å; D736-V740 PolarHBondContact O-N 3.23Å; V738-V740 PolarHBondContact O-N 3.41Å; V740-E744 PolarHBondContact O-N 2.97Å; V740-E744 VanDerWaalsContact O-N 3.16Å
741	L	90.5	Very high	86.7	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-70.4	-36.7	175.9	-64.3	171	0	0	0	112.1	W449 L450 L528 R531 I532 L535 D737 V738 R739 I745	W449-L741 HydrophobicContact CE3-CD2 4.21Å; W449-L741 HydrophobicContact CZ3-CD2 4.27Å; L450-L741 HydrophobicContact CD1-CD2 4.05Å; L450-L741 HydrophobicContact CD2-CD2 3.93Å; L450-L741 HydrophobicContact CG-CD2 3.89Å; L528-L741 HydrophobicContact CD2-CD2 3.8Å; R531-L741 HydrophobicContact CB-CD1 4.26Å; R531-L741 HydrophobicContact CG-CD1 3.7Å; R531-L741 HydrophobicContact CG-CD2 4.3Å; I532-L741 HydrophobicContact CD1-CB 4.04Å; I532-L741 HydrophobicContact CG1-CB 3.9Å; I532-L741 HydrophobicContact CG1-CD1 3.75Å; I532-L741 HydrophobicContact CG1-CG 4.49Å; L535-L741 HydrophobicContact CD1-CD1 3.57Å; D737-L741 WeakPolarHBondContact O-CG 3.42Å; V738-L741 PolarHBondContact O-N 3.35Å; R739-L741 VanDerWaalsContact C-N 3.26Å; R739-L741 PolarHBondContact O-N 2.92Å; L741-I745 VanDerWaalsContact O-CG1 3.31Å; L741-I745 WeakPolarHBondContact O-CG1 3.03Å; L741-I745 PolarHBondContact O-N 3.29Å; L741-I745 VanDerWaalsContact O-N 3.08Å
742	L	88.8	Confident	87.6	Confident	45 Å²	45	38.8 Å²	38.8	24%	0.236	20%	0.203	C	C	.	.	H	α-helix	trans	-66.4	-43.4	175.3	-70.4	172.6	0	0	0	111.3	I532 V738 R739 E744 I745 D746	I532-L742 HydrophobicContact CD1-CD2 3.85Å; I532-L742 HydrophobicContact CD1-CG 4.24Å; V738-L742 HydrophobicContact CG1-CD1 3.93Å; V738-L742 HydrophobicContact CG1-CG 4.18Å; V738-L742 WeakPolarHBondContact O-CG 3.29Å; V738-L742 PolarHBondContact O-N 3.46Å; R739-L742 WeakPolarHBondContact O-CB 3.43Å; R739-L742 PolarHBondContact O-N 3.42Å; L742-E744 VanDerWaalsContact C-N 3.3Å; L742-E744 PolarHBondContact O-N 3.49Å; L742-I745 WeakPolarHBondContact O-CB 3.32Å; L742-I745 PolarHBondContact O-N 3.28Å; L742-I745 VanDerWaalsContact O-N 3.09Å; L742-D746 PolarHBondContact O-N 2.93Å
743	D	88.6	Confident	88.1	Confident	91 Å²	91	42 Å²	42	49%	0.487	22%	0.215	S	C	.	.	H	α-helix	trans	-60.1	-40.5	176.6	-64.8	-21.6	0	0	0	111.3	R739 D746 E747	R739-D743 VanDerWaalsContact O-CG 3.32Å; R739-D743 PolarHBondContact O-N 3.2Å; D743-D746 PolarHBondContact O-N 2.91Å; D743-E747 PolarHBondContact O-N 3.11Å
744	E	91.3	Very high	88.4	Confident	26 Å²	26	43 Å²	43	12%	0.121	22%	0.219	C	C	.	.	H	α-helix	trans	-65.4	-37.7	174.7	-167.8	84.7	-167.8	0	0	112.2	L450 L455 L528 V740 L742 A748	L450-E744 HydrophobicContact CD1-CB 4.3Å; L450-E744 HydrophobicContact CD2-CB 4.15Å; L450-E744 HydrophobicContact CD2-CG 3.74Å; L455-E744 WeakPolarHBondContact CA-OE1 3.49Å; L455-E744 WeakPolarHBondContact CB-OE1 3.4Å; L455-E744 HydrophobicContact CD1-CG 4.32Å; L455-E744 HydrophobicContact CG-CG 4.39Å; L455-E744 VanDerWaalsContact CG-OE1 3.28Å; L455-E744 WeakPolarHBondContact CG-OE1 3.2Å; L455-E744 PolarHBondContact N-OE1 2.94Å; L528-E744 HydrophobicContact CD1-CB 4.32Å; L528-E744 HydrophobicContact CD1-CG 4Å; V740-E744 PolarHBondContact O-N 2.97Å; V740-E744 VanDerWaalsContact O-N 3.16Å; L742-E744 VanDerWaalsContact C-N 3.3Å; L742-E744 PolarHBondContact O-N 3.49Å; E744-A748 WeakPolarHBondContact O-CB 3.36Å; E744-A748 PolarHBondContact O-N 3.39Å
745	I	89	Confident	88.3	Confident	21 Å²	21	41 Å²	41	11%	0.108	21%	0.21	C	C	.	.	H	α-helix	trans	-64.8	-44.2	173.8	-70.1	169	0	0	0	110.2	V525 L528 E529 I532 L741 L742 E747 A748 V749	V525-I745 HydrophobicContact CG1-CG2 4.21Å; L528-I745 HydrophobicContact CB-CD1 3.83Å; L528-I745 HydrophobicContact CB-CG1 3.73Å; L528-I745 HydrophobicContact CD1-CG1 3.63Å; L528-I745 HydrophobicContact CG-CG1 4.29Å; E529-I745 HydrophobicContact CG-CD1 4.36Å; I532-I745 HydrophobicContact CD1-CD1 3.82Å; L741-I745 VanDerWaalsContact O-CG1 3.31Å; L741-I745 WeakPolarHBondContact O-CG1 3.03Å; L741-I745 PolarHBondContact O-N 3.29Å; L741-I745 VanDerWaalsContact O-N 3.08Å; L742-I745 WeakPolarHBondContact O-CB 3.32Å; L742-I745 PolarHBondContact O-N 3.28Å; L742-I745 VanDerWaalsContact O-N 3.09Å; I745-E747 VanDerWaalsContact C-N 3.35Å; I745-E747 PolarHBondContact O-N 2.97Å; I745-A748 WeakPolarHBondContact O-CB 3.31Å; I745-A748 PolarHBondContact O-N 2.87Å; I745-A748 VanDerWaalsContact O-N 3.17Å; I745-V749 HydrophobicContact CG2-CG2 4.25Å; I745-V749 WeakPolarHBondContact O-CG2 3.43Å; I745-V749 PolarHBondContact O-N 2.71Å
746	D	87.3	Confident	88.1	Confident	105 Å²	105	45.1 Å²	45.1	56%	0.561	23%	0.228	S	C	*	.	H	α-helix	trans	-62.9	-40.8	179.3	-77.8	-20.7	0	0	0	111.6	L742 D743 V749 S750	L742-D746 PolarHBondContact O-N 2.93Å; D743-D746 PolarHBondContact O-N 2.91Å; D746-V749 PolarHBondContact O-N 3.31Å; D746-S750 WeakPolarHBondContact O-CB 3.32Å; D746-S750 PolarHBondContact O-N 3Å
747	E	89.3	Confident	87.8	Confident	59 Å²	59	49.9 Å²	49.9	28%	0.276	25%	0.253	S	S	.	.	H	α-helix	trans	-62	-43.9	172.4	-166.3	-178	168.8	0	0	111.2	L455 D743 I745 V749 S750 Y751	L455-E747 HydrophobicContact CD1-CB 3.9Å; L455-E747 HydrophobicContact CD1-CG 3.95Å; D743-E747 PolarHBondContact O-N 3.11Å; I745-E747 VanDerWaalsContact C-N 3.35Å; I745-E747 PolarHBondContact O-N 2.97Å; E747-V749 PolarHBondContact O-N 2.87Å; E747-S750 WeakPolarHBondContact O-CB 3.44Å; E747-S750 PolarHBondContact O-N 3.11Å; E747-Y751 HydrophobicContact CG-CD2 4.2Å; E747-Y751 HydrophobicContact CG-CE2 3.56Å; E747-Y751 WeakPolarHBondContact O-CD2 3.35Å; E747-Y751 PolarHBondContact O-N 3.11Å; E747-Y751 VanDerWaalsContact OE1-CE2 3.26Å; E747-Y751 WeakPolarHBondContact OE1-CE2 3.49Å; E747-Y751 VanDerWaalsContact OE1-CZ 3.23Å; E747-Y751 PolarHBondContact OE1-OH 3.07Å
748	A	88.7	Confident	87.4	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.1	-42.8	177.7	0	0	0	0	0	112.3	L455 I521 V525 E744 I745 Y751 S752	L455-A748 HydrophobicContact CD1-CB 4.06Å; L455-A748 HydrophobicContact CD2-CB 4Å; L455-A748 HydrophobicContact CG-CB 4.41Å; I521-A748 HydrophobicContact CG2-CB 4.15Å; V525-A748 HydrophobicContact CG2-CB 4.01Å; E744-A748 WeakPolarHBondContact O-CB 3.36Å; E744-A748 PolarHBondContact O-N 3.39Å; I745-A748 WeakPolarHBondContact O-CB 3.31Å; I745-A748 PolarHBondContact O-N 2.87Å; I745-A748 VanDerWaalsContact O-N 3.17Å; A748-Y751 PolarHBondContact O-N 2.95Å; A748-S752 PolarHBondContact O-N 2.91Å
749	V	86.2	Confident	87.1	Confident	55 Å²	55	51.9 Å²	51.9	33%	0.333	27%	0.265	S	S	.	.	H	α-helix	trans	-66.7	-39.4	176.4	171.5	0	0	0	0	111	I745 D746 E747 S752 K753	I745-V749 HydrophobicContact CG2-CG2 4.25Å; I745-V749 WeakPolarHBondContact O-CG2 3.43Å; I745-V749 PolarHBondContact O-N 2.71Å; D746-V749 PolarHBondContact O-N 3.31Å; E747-V749 PolarHBondContact O-N 2.87Å; V749-S752 PolarHBondContact O-N 3.21Å; V749-K753 HydrophobicContact CG1-CD 4.42Å; V749-K753 WeakPolarHBondContact O-CG 3.28Å; V749-K753 PolarHBondContact O-N 3.28Å
750	S	87.2	Confident	86.5	Confident	54 Å²	54	49 Å²	49	38%	0.378	26%	0.263	S	S	.	.	H	α-helix	trans	-59.7	-47.1	174.3	-177	0	0	0	0	111.7	D746 E747 S752 K753 Q754	D746-S750 WeakPolarHBondContact O-CB 3.32Å; D746-S750 PolarHBondContact O-N 3Å; E747-S750 WeakPolarHBondContact O-CB 3.44Å; E747-S750 PolarHBondContact O-N 3.11Å; S750-S752 VanDerWaalsContact C-N 3.35Å; S750-S752 PolarHBondContact O-N 3.03Å; S750-K753 PolarHBondContact O-N 3.31Å; S750-Q754 WeakPolarHBondContact O-CG 3.47Å; S750-Q754 PolarHBondContact O-N 3.38Å; S750-Q754 PolarHBondContact OG-NE2 3.05Å
751	Y	88.5	Confident	85.6	Confident	18 Å²	18	48.9 Å²	48.9	7%	0.071	26%	0.263	C	S	.	.	H	α-helix	trans	-63.4	-38.5	175.5	-68.7	-35	0	0	0	112.9	L455 N461 L462 F463 Y517 E747 A748 Q754 A755	L455-Y751 HydrophobicContact CD1-CD2 4.27Å; L455-Y751 HydrophobicContact CD1-CE2 4.17Å; N461-Y751 PolarHBondContact ND2-OH 3.35Å; L462-Y751 HydrophobicContact CB-CD1 3.44Å; L462-Y751 VanDerWaalsContact CB-CD1 3.44Å; L462-Y751 HydrophobicContact CB-CE1 4.04Å; L462-Y751 HydrophobicContact CB-CG 3.82Å; L462-Y751 HydrophobicContact CD2-CD1 4.29Å; F463-Y751 HydrophobicContact CE2-CE1 4.33Å; Y517-Y751 WeakPolarHBondContact OH-CB 3.41Å; E747-Y751 HydrophobicContact CG-CD2 4.2Å; E747-Y751 HydrophobicContact CG-CE2 3.56Å; E747-Y751 WeakPolarHBondContact O-CD2 3.35Å; E747-Y751 PolarHBondContact O-N 3.11Å; E747-Y751 VanDerWaalsContact OE1-CE2 3.26Å; E747-Y751 WeakPolarHBondContact OE1-CE2 3.49Å; E747-Y751 VanDerWaalsContact OE1-CZ 3.23Å; E747-Y751 PolarHBondContact OE1-OH 3.07Å; A748-Y751 PolarHBondContact O-N 2.95Å; Y751-Q754 PolarHBondContact O-N 3.29Å; Y751-A755 WeakPolarHBondContact O-CB 3.43Å; Y751-A755 PolarHBondContact O-N 3.16Å
752	S	87	Confident	84.6	Confident	21 Å²	21	50.2 Å²	50.2	15%	0.147	27%	0.27	C	S	.	.	H	α-helix	trans	-61.7	-43.3	174.5	-172.7	0	0	0	0	112.2	A748 V749 S750 A755 Q756	A748-S752 PolarHBondContact O-N 2.91Å; V749-S752 PolarHBondContact O-N 3.21Å; S750-S752 VanDerWaalsContact C-N 3.35Å; S750-S752 PolarHBondContact O-N 3.03Å; S752-A755 PolarHBondContact O-N 3.24Å; S752-Q756 WeakPolarHBondContact O-CG 3.36Å; S752-Q756 PolarHBondContact O-N 3.25Å
753	K	85.7	Confident	83.5	Confident	115 Å²	115	51.7 Å²	51.7	50%	0.5	28%	0.281	S	S	.	.	H	α-helix	trans	-64.5	-44.2	176.2	-73.8	176.3	-179.2	175.1	0	112.1	V749 S750 A755 Q756 L757	V749-K753 HydrophobicContact CG1-CD 4.42Å; V749-K753 WeakPolarHBondContact O-CG 3.28Å; V749-K753 PolarHBondContact O-N 3.28Å; S750-K753 PolarHBondContact O-N 3.31Å; K753-A755 VanDerWaalsContact C-N 3.31Å; K753-A755 PolarHBondContact O-N 2.73Å; K753-Q756 WeakPolarHBondContact O-CB 3.49Å; K753-Q756 PolarHBondContact O-N 3.21Å; K753-Q756 VanDerWaalsContact O-N 3.16Å; K753-L757 WeakPolarHBondContact O-CG 3.2Å; K753-L757 PolarHBondContact O-N 3.02Å
754	Q	85.3	Confident	82	Confident	68 Å²	68	53.4 Å²	53.4	32%	0.318	29%	0.29	S	S	.	.	H	α-helix	trans	-60.9	-40.8	175.9	-71.9	176.3	47.7	0	0	111.6	L462 S750 Y751 Q756 L757 L758	L462-Q754 HydrophobicContact CD2-CB 3.4Å; L462-Q754 HydrophobicContact CD2-CG 4.33Å; S750-Q754 WeakPolarHBondContact O-CG 3.47Å; S750-Q754 PolarHBondContact O-N 3.38Å; S750-Q754 PolarHBondContact OG-NE2 3.05Å; Y751-Q754 PolarHBondContact O-N 3.29Å; Q754-Q756 PolarHBondContact O-N 3.48Å; Q754-L757 PolarHBondContact O-N 2.95Å; Q754-L758 WeakPolarHBondContact O-CG 3.2Å; Q754-L758 PolarHBondContact O-N 3.03Å
755	A	84.6	Confident	80.3	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-61.7	-40.9	173	0	0	0	0	0	112.5	L462 L514 Y517 Q518 Y751 S752 K753 L758 V759	L462-A755 HydrophobicContact CD1-CB 4.3Å; L514-A755 HydrophobicContact CD2-CB 4.12Å; Y517-A755 HydrophobicContact CD1-CB 4.3Å; Y517-A755 HydrophobicContact CE1-CB 4.36Å; Q518-A755 HydrophobicContact CG-CB 4.47Å; Y751-A755 WeakPolarHBondContact O-CB 3.43Å; Y751-A755 PolarHBondContact O-N 3.16Å; S752-A755 PolarHBondContact O-N 3.24Å; K753-A755 VanDerWaalsContact C-N 3.31Å; K753-A755 PolarHBondContact O-N 2.73Å; A755-L758 PolarHBondContact O-N 3.37Å; A755-V759 WeakPolarHBondContact O-CG2 3Å; A755-V759 PolarHBondContact O-N 3.12Å
756	Q	83.1	Confident	78.3	Confident	96 Å²	96	66.3 Å²	66.3	45%	0.449	34%	0.34	S	S	.	.	H	α-helix	trans	-63.2	-41.9	175.2	-71.9	172.4	-9.2	0	0	112.3	Q518 S752 K753 Q754 L758 V759 A760	Q518-Q756 VanDerWaalsContact NE2-CG 3.33Å; S752-Q756 WeakPolarHBondContact O-CG 3.36Å; S752-Q756 PolarHBondContact O-N 3.25Å; K753-Q756 WeakPolarHBondContact O-CB 3.49Å; K753-Q756 PolarHBondContact O-N 3.21Å; K753-Q756 VanDerWaalsContact O-N 3.16Å; Q754-Q756 PolarHBondContact O-N 3.48Å; Q756-L758 VanDerWaalsContact C-N 3.31Å; Q756-L758 PolarHBondContact O-N 3.38Å; Q756-V759 PolarHBondContact O-N 2.71Å; Q756-A760 PolarHBondContact O-N 2.9Å
757	L	84.5	Confident	76.2	Confident	113 Å²	113	67.6 Å²	67.6	59%	0.592	35%	0.351	S	S	*	.	H	α-helix	trans	-63.1	-36.9	176	-69.4	172.6	0	0	0	112.2	K753 Q754 V759 A760 S761	K753-L757 WeakPolarHBondContact O-CG 3.2Å; K753-L757 PolarHBondContact O-N 3.02Å; Q754-L757 PolarHBondContact O-N 2.95Å; L757-V759 VanDerWaalsContact C-N 3.35Å; L757-A760 PolarHBondContact O-N 3.37Å; L757-S761 PolarHBondContact O-N 3.42Å
758	L	82.1	Confident	73.8	Confident	17 Å²	17	68.1 Å²	68.1	9%	0.089	37%	0.373	C	S	.	.	H	α-helix	trans	-62.8	-41.4	174.3	-70.8	171.6	0	0	0	111.7	L466 V495 V497 V509 L514 Q754 A755 Q756 S761 I762	L466-L758 HydrophobicContact CD1-CD1 3.76Å; L466-L758 HydrophobicContact CD2-CD1 4.18Å; V495-L758 HydrophobicContact CG1-CD2 4Å; V497-L758 HydrophobicContact CG2-CD2 3.59Å; V509-L758 HydrophobicContact CG1-CB 4.35Å; V509-L758 HydrophobicContact CG2-CB 4.42Å; V509-L758 HydrophobicContact CG2-CD2 4.44Å; L514-L758 HydrophobicContact CD1-CB 4.13Å; Q754-L758 WeakPolarHBondContact O-CG 3.2Å; Q754-L758 PolarHBondContact O-N 3.03Å; A755-L758 PolarHBondContact O-N 3.37Å; Q756-L758 VanDerWaalsContact C-N 3.31Å; Q756-L758 PolarHBondContact O-N 3.38Å; L758-S761 PolarHBondContact O-N 2.91Å; L758-S761 PolarHBondContact O-OG 2.9Å; L758-I762 WeakPolarHBondContact O-CD1 3.49Å; L758-I762 WeakPolarHBondContact O-CG1 3.1Å
759	V	80.2	Confident	71.2	Confident	47 Å²	47	73.5 Å²	73.5	29%	0.285	41%	0.41	S	S	.	.	H	α-helix	trans	-62.7	-46.1	175	177	0	0	0	0	111	L514 A755 Q756 L757 S761 I762 T763	L514-V759 HydrophobicContact CB-CG2 4.36Å; L514-V759 HydrophobicContact CD1-CG2 3.61Å; A755-V759 WeakPolarHBondContact O-CG2 3Å; A755-V759 PolarHBondContact O-N 3.12Å; Q756-V759 PolarHBondContact O-N 2.71Å; L757-V759 VanDerWaalsContact C-N 3.35Å; V759-S761 VanDerWaalsContact C-N 3.32Å; V759-S761 PolarHBondContact O-N 3.1Å; V759-I762 PolarHBondContact O-N 3.49Å; V759-T763 PolarHBondContact O-N 2.9Å
760	A	77.3	Confident	68.6	Low	41 Å²	41	80 Å²	80	34%	0.339	44%	0.437	S	S	.	.	H	α-helix	trans	-61.1	-38.2	178.8	0	0	0	0	0	112.7	Q756 L757 I762 T763 D764	Q756-A760 PolarHBondContact O-N 2.9Å; L757-A760 PolarHBondContact O-N 3.37Å; A760-I762 PolarHBondContact O-N 3.45Å; A760-T763 WeakPolarHBondContact CA-OG1 3.29Å; A760-T763 PolarHBondContact O-N 2.77Å; A760-T763 PolarHBondContact O-OG1 3.19Å; A760-D764 PolarHBondContact O-N 3.39Å; A760-D764 VanDerWaalsContact O-N 3.15Å
761	S	72.7	Confident	66	Low	35 Å²	35	82.2 Å²	82.2	25%	0.245	46%	0.458	C	S	.	.	H	α-helix	trans	-63.8	-24.1	179.2	75.8	0	0	0	0	114.1	V495 L757 L758 V759 K765	V495-S761 WeakPolarHBondContact CG2-OG 3.39Å; L757-S761 PolarHBondContact O-N 3.42Å; L758-S761 PolarHBondContact O-N 2.91Å; L758-S761 PolarHBondContact O-OG 2.9Å; V759-S761 VanDerWaalsContact C-N 3.32Å; V759-S761 PolarHBondContact O-N 3.1Å; S761-K765 WeakPolarHBondContact O-CG 3.46Å
762	I	68.8	Low	63.3	Low	27 Å²	27	89.2 Å²	89.2	14%	0.138	50%	0.497	C	S	.	.	H	α-helix	trans	-85.8	-35.3	178.3	-58.5	159.6	0	0	0	110.4	V495 V509 L758 V759 A760	V495-I762 HydrophobicContact CG2-CG1 3.96Å; V509-I762 HydrophobicContact CB-CD1 3.41Å; V509-I762 VanDerWaalsContact CB-CD1 3.41Å; V509-I762 HydrophobicContact CB-CG1 4.45Å; V509-I762 HydrophobicContact CG1-CD1 3.39Å; V509-I762 HydrophobicContact CG2-CD1 4.34Å; L758-I762 WeakPolarHBondContact O-CD1 3.49Å; L758-I762 WeakPolarHBondContact O-CG1 3.1Å; V759-I762 PolarHBondContact O-N 3.49Å; A760-I762 PolarHBondContact O-N 3.45Å
763	T	65.1	Low	60.5	Low	77 Å²	77	99.5 Å²	99.5	47%	0.472	53%	0.533	S	S	.	.	H	α-helix	trans	-67.4	-38.8	178.9	50.8	0	0	0	0	111.2	V759 A760 R766	V759-T763 PolarHBondContact O-N 2.9Å; A760-T763 WeakPolarHBondContact CA-OG1 3.29Å; A760-T763 PolarHBondContact O-N 2.77Å; A760-T763 PolarHBondContact O-OG1 3.19Å; T763-R766 PolarHBondContact O-N 2.97Å
764	D	59	Low	57.8	Low	126 Å²	126	101.7 Å²	101.7	67%	0.674	55%	0.55	S	S	*	.	H	α-helix	trans	-69.4	-34.5	179	-73.3	-10.2	0	0	0	113	A760 R766 V767	A760-D764 PolarHBondContact O-N 3.39Å; A760-D764 VanDerWaalsContact O-N 3.15Å; D764-R766 VanDerWaalsContact C-N 3.28Å; D764-R766 PolarHBondContact O-N 3.5Å; D764-V767 PolarHBondContact O-N 2.83Å
765	K	54.4	Low	55.4	Low	119 Å²	119	107.6 Å²	107.6	52%	0.517	57%	0.574	S	S	.	*	H	α-helix	trans	-68.5	-21.9	178.4	-76.3	-174	179.9	-170.3	0	113.9	M494 S761	M494-K765 PolarHBondContact O-NZ 3.47Å; S761-K765 WeakPolarHBondContact O-CG 3.46Å
766	R	47.3	Very low	52.7	Low	200 Å²	200	112.2 Å²	112.2	76%	0.755	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-10.3	-179.2	-70.1	-173.7	-164.5	-173.1	4.6	114	T763 D764	T763-R766 PolarHBondContact O-N 2.97Å; D764-R766 VanDerWaalsContact C-N 3.28Å; D764-R766 PolarHBondContact O-N 3.5Å
767	V	43.6	Very low	50.2	Low	131 Å²	131	114.1 Å²	114.1	79%	0.794	62%	0.62	S	S	*	*	S	Bend	trans	-103.5	-9.8	-171.3	-176.3	0	0	0	0	113.3	D764	D764-V767 PolarHBondContact O-N 2.83Å
768	G	39	Very low	47.7	Very low	71 Å²	71	117.6 Å²	117.6	73%	0.732	63%	0.63	S	S	*	*			trans	-112.4	19.5	-167.4	0	0	0	0	0	119.1
769	S	34	Very low	45.1	Very low	113 Å²	113	121.7 Å²	121.7	79%	0.79	66%	0.661	S	S	*	*			trans	-102.8	24.2	-169.4	-163.3	0	0	0	0	117.1
770	E	31.3	Very low	42.7	Very low	192 Å²	192	126.9 Å²	126.9	90%	0.897	69%	0.685	S	S	*	*			trans	-136.6	89.8	172.2	-72.2	-172.9	164.3	0	0	111.2
771	A	32.9	Very low	40.2	Very low	99 Å²	99	131.4 Å²	131.4	82%	0.818	71%	0.708	S	S	*	*	S	Bend	trans	168	118.4	146.8	0	0	0	0	0	112.9
772	D	31.1	Very low	38	Very low	166 Å²	166	134.8 Å²	134.8	89%	0.888	73%	0.732	S	S	*	*			trans	54.6	101.4	152.3	-77.9	-16.1	0	0	0	122.8
773	W	27.6	Very low	36	Very low	237 Å²	237	143.3 Å²	143.3	90%	0.898	77%	0.768	S	S	*	*			trans	-84.3	126.4	152	-69.6	81.5	0	0	0	109.9
774	N	29.7	Very low	34.1	Very low	160 Å²	160	144.6 Å²	144.6	86%	0.856	78%	0.78	S	S	*	*			trans	172.6	143.7	135.8	-89.7	-34.1	0	0	0	114.4
775	K	35	Very low	32.6	Very low	192 Å²	192	146.1 Å²	146.1	84%	0.835	79%	0.794	S	S	*	*			trans	97.9	93.1	172	-62.1	-179.7	177.8	177	0	115
776	S	28	Very low	31.3	Very low	98 Å²	98	145.1 Å²	145.1	69%	0.685	80%	0.802	S	S	*	*				64.8	126.5	88.5	69.4	0	0	0	0	112
777	D	31.1	Very low	30.3	Very low	136 Å²	136	141.6 Å²	141.6	73%	0.727	80%	0.803	S	S	*	*			cis	-164.8	164.1	36.2	-115.4	-40.3	0	0	0	113
778	K	30.5	Very low	29.5	Very low	185 Å²	185	139.6 Å²	139.6	80%	0.804	80%	0.8	S	S	*	*			trans	-39.8	138.6	176.2	-60.3	150.7	-176.5	169.6	0	117.2
779	S	29	Very low	29.1	Very low	104 Å²	104	143.6 Å²	143.6	73%	0.727	81%	0.805	S	S	*	*				174.1	123.4	111.5	50.4	0	0	0	0	115
780	I	28.6	Very low	29.1	Very low	155 Å²	155	146.6 Å²	146.6	80%	0.795	81%	0.806	S	S	*	*			trans	66.4	89.7	131.2	-51.5	167.5	0	0	0	118.7
781	V	25.9	Very low	29	Very low	136 Å²	136	145.9 Å²	145.9	82%	0.824	81%	0.808	S	S	*	*				34.5	96.9	124.6	-170.8	0	0	0	0	117
782	S	27.1	Very low	29	Very low	107 Å²	107	149 Å²	149	75%	0.748	81%	0.809	S	S	*	*				176.3	133.8	126.2	43	0	0	0	0	112.3
783	K	26.1	Very low	28.7	Very low	206 Å²	206	144.9 Å²	144.9	90%	0.896	81%	0.806	S	S	*	*			trans	71.6	89.8	166.3	-64.1	177.3	177.2	176.3	0	118.1
784	S	25.4	Very low	28.7	Very low	104 Å²	104	137 Å²	137	73%	0.727	80%	0.798	S	S	*	*			trans	-124.5	97.1	163.4	51.9	0	0	0	0	111.3
785	V	26.8	Very low	28.7	Very low	157 Å²	157	137.9 Å²	137.9	95%	0.952	80%	0.802	S	S	*	*			trans	-135.4	65	157.6	-172.1	0	0	0	0	106.6
786	S	27.7	Very low	28.4	Very low	99 Å²	99	135.7 Å²	135.7	69%	0.692	80%	0.799	S	S	*	*			trans	-160	61.9	-178.7	56.9	0	0	0	0	110.3
787	T	26.3	Very low	28.6	Very low	125 Å²	125	137.2 Å²	137.2	77%	0.767	81%	0.807	S	S	*	*			trans	-159.5	71	169.4	5.2	0	0	0	0	109.7
788	A	26.8	Very low	28.6	Very low	89 Å²	89	135.1 Å²	135.1	74%	0.736	80%	0.803	S	S	*	*	S	Bend	trans	-144.4	-4.8	166.8	0	0	0	0	0	113.9
789	N	31	Very low	28.6	Very low	156 Å²	156	133.6 Å²	133.6	83%	0.834	80%	0.804	S	S	*	*	S	Bend	trans	-109.3	14.1	-173.4	-69.6	-4.5	0	0	0	114.5
790	Q	32.4	Very low	28.7	Very low	175 Å²	175	137.3 Å²	137.3	82%	0.818	81%	0.81	S	S	*	*	S	Bend	trans	-112.6	7.2	-172.7	-83.1	-179.3	-10.9	0	0	115.9
791	L	30.4	Very low	28.7	Very low	178 Å²	178	138.2 Å²	138.2	93%	0.932	81%	0.814	S	S	*	*	S	Bend	trans	-109.6	15	-179.8	-71.2	170.4	0	0	0	114.8
792	L	32.5	Very low	29	Very low	164 Å²	164	139.5 Å²	139.5	86%	0.859	81%	0.811	S	S	*	*	S	Bend	trans	-111	14	-178.4	-78.8	162.2	0	0	0	114.1
793	G	25.5	Very low	29.1	Very low	79 Å²	79	139.3 Å²	139.3	81%	0.814	81%	0.807	S	S	*	*	S	Bend	trans	-120.8	93.6	-177.1	0	0	0	0	0	112.6
794	G	26	Very low	29.3	Very low	71 Å²	71	140.9 Å²	140.9	73%	0.732	81%	0.808	S	S	*	*			trans	114.8	108.9	162.8	0	0	0	0	0	113.8
795	L	30.1	Very low	29.8	Very low	180 Å²	180	139.8 Å²	139.8	94%	0.942	79%	0.793	S	S	*	*			trans	-168	133.6	150.7	-97.2	156.6	0	0	0	108.4
796	D	30.2	Very low	30.4	Very low	145 Å²	145	137.5 Å²	137.5	78%	0.775	78%	0.776	S	S	*	*			trans	-59.5	138.9	-173	-85.7	-46.6	0	0	0	114.8	S798	D796-S798 PolarHBondContact O-N 3.42Å
797	P	30.6	Very low	30.8	Very low	131 Å²	131	140.3 Å²	140.3	85%	0.851	78%	0.782	S	S	*	*			trans	-93.1	53.9	-179	37.8	-34.4	0	0	0	112.6
798	S	31.8	Very low	31.4	Very low	92 Å²	92	141.3 Å²	141.3	64%	0.643	78%	0.782	S	S	*	*	S	Bend	trans	-99.8	-3.3	-178.8	58	0	0	0	0	115.6	D796	D796-S798 PolarHBondContact O-N 3.42Å
799	N	29.8	Very low	32.2	Very low	152 Å²	152	139.9 Å²	139.9	81%	0.813	76%	0.764	S	S	*	*	S	Bend	trans	-155.8	66.5	-178.6	-85	-40	0	0	0	114.3
800	Q	32	Very low	32.8	Very low	182 Å²	182	136.1 Å²	136.1	85%	0.85	74%	0.744	S	S	*	*			trans	-145.2	134.9	164.4	-68.5	-167.6	3.2	0	0	113.1	E802	Q800-E802 PolarHBondContact O-N 3.43Å
801	I	28.1	Very low	33.3	Very low	174 Å²	174	130.1 Å²	130.1	89%	0.892	72%	0.724	S	S	*	*			trans	-80.9	104.8	-177.8	-62	166.7	0	0	0	108.6
802	E	31.6	Very low	34.1	Very low	163 Å²	163	127.9 Å²	127.9	76%	0.762	70%	0.704	S	S	*	*			trans	-79.6	135.1	176	-72.8	-169.2	150.2	0	0	112	Q800	Q800-E802 PolarHBondContact O-N 3.43Å
803	P	29.9	Very low	34.7	Very low	103 Å²	103	125 Å²	125	67%	0.669	68%	0.684	S	S	*	*			trans	-68.8	132.4	170	28	-30.4	0	0	0	110.1	L805	P803-L805 PolarHBondContact O-N 3.38Å
804	R	30.1	Very low	35.8	Very low	240 Å²	240	127 Å²	127	91%	0.906	67%	0.672	S	S	*	*			trans	-57.2	102.7	-172.9	-73.7	-178.4	164.6	171.3	-4.6	112.5
805	L	35.6	Very low	36.8	Very low	80 Å²	80	126.5 Å²	126.5	42%	0.419	66%	0.661	S	S	.	*			trans	-78.1	133.8	165.5	-105.5	78.2	0	0	0	110.4	P803 T809 L810	P803-L805 PolarHBondContact O-N 3.38Å; L805-T809 HydrophobicContact CD2-CG2 3.55Å; L805-T809 HydrophobicContact CG-CG2 4.06Å; L805-L810 HydrophobicContact CB-CD1 4.04Å
806	N	39.9	Very low	37.6	Very low	109 Å²	109	122.6 Å²	122.6	58%	0.583	64%	0.64	S	S	*	*			trans	-65.5	149.3	170.3	-78.1	-25.9	0	0	0	111.6	L808 T809 L810	N806-L808 PolarHBondContact O-N 2.87Å; N806-T809 WeakPolarHBondContact O-CB 3.43Å; N806-T809 PolarHBondContact O-N 2.83Å; N806-L810 PolarHBondContact O-N 3.37Å
807	L	37.4	Very low	38.8	Very low	158 Å²	158	119 Å²	119	83%	0.827	62%	0.621	S	S	*	*	H	α-helix	trans	-51	-33.9	-173.4	-148.4	95	0	0	0	113.9	A811	L807-A811 VanDerWaalsContact O-CB 3.28Å; L807-A811 WeakPolarHBondContact O-CB 3.49Å; L807-A811 PolarHBondContact O-N 3.39Å
808	L	37.2	Very low	39.4	Very low	146 Å²	146	115.6 Å²	115.6	76%	0.764	60%	0.604	S	S	*	*	H	α-helix	trans	-68.2	-37.3	177.5	-89.5	156.6	0	0	0	113.1	N806 R812	N806-L808 PolarHBondContact O-N 2.87Å; L808-R812 WeakPolarHBondContact O-CB 3.25Å; L808-R812 PolarHBondContact O-N 2.92Å
809	T	45.2	Very low	39.9	Very low	59 Å²	59	118.2 Å²	118.2	36%	0.362	60%	0.603	S	S	.	*	H	α-helix	trans	-75	-36.4	178.7	-37.8	0	0	0	0	110.4	L805 N806 K813	L805-T809 HydrophobicContact CD2-CG2 3.55Å; L805-T809 HydrophobicContact CG-CG2 4.06Å; N806-T809 WeakPolarHBondContact O-CB 3.43Å; N806-T809 PolarHBondContact O-N 2.83Å; T809-K813 VanDerWaalsContact O-CB 3.31Å; T809-K813 WeakPolarHBondContact O-CB 3.48Å; T809-K813 PolarHBondContact O-N 3.35Å
810	L	43.7	Very low	40.4	Very low	77 Å²	77	116.9 Å²	116.9	40%	0.403	59%	0.594	S	S	.	*	H	α-helix	trans	-66.1	-47.2	173.5	-124.3	137.6	0	0	0	111.1	L805 N806 R812 K813 E814	L805-L810 HydrophobicContact CB-CD1 4.04Å; N806-L810 PolarHBondContact O-N 3.37Å; L810-R812 VanDerWaalsContact C-N 3.34Å; L810-R812 PolarHBondContact O-N 2.87Å; L810-K813 PolarHBondContact O-N 2.91Å; L810-E814 WeakPolarHBondContact O-CB 3.37Å; L810-E814 VanDerWaalsContact O-CG 3.3Å; L810-E814 WeakPolarHBondContact O-CG 3.47Å; L810-E814 PolarHBondContact O-N 3.49Å
811	A	41.4	Very low	41	Very low	50 Å²	50	115.6 Å²	115.6	41%	0.413	59%	0.585	S	S	.	*	H	α-helix	trans	-62.8	-37.6	176	0	0	0	0	0	112.7	L807 A815	L807-A811 VanDerWaalsContact O-CB 3.28Å; L807-A811 WeakPolarHBondContact O-CB 3.49Å; L807-A811 PolarHBondContact O-N 3.39Å; A811-A815 VanDerWaalsContact O-CB 3.26Å; A811-A815 WeakPolarHBondContact O-CB 3.13Å; A811-A815 PolarHBondContact O-N 2.83Å
812	R	46.8	Very low	41.4	Very low	131 Å²	131	111.3 Å²	111.3	49%	0.494	57%	0.571	S	S	.	*	H	α-helix	trans	-67.2	-43.8	172.9	-95.1	-175.9	160.3	152.6	1.3	112.4	I733 L808 L810 A815 I816	I733-R812 PolarHBondContact O-NH2 2.87Å; L808-R812 WeakPolarHBondContact O-CB 3.25Å; L808-R812 PolarHBondContact O-N 2.92Å; L810-R812 VanDerWaalsContact C-N 3.34Å; L810-R812 PolarHBondContact O-N 2.87Å; R812-A815 PolarHBondContact O-N 3.02Å; R812-I816 WeakPolarHBondContact O-CB 3.32Å; R812-I816 VanDerWaalsContact O-CG1 3.26Å; R812-I816 WeakPolarHBondContact O-CG1 3.42Å; R812-I816 PolarHBondContact O-N 2.92Å
813	K	46.6	Very low	41.9	Very low	103 Å²	103	109.6 Å²	109.6	45%	0.448	57%	0.566	S	S	.	*	H	α-helix	trans	-63.2	-43.3	176.6	-172.9	-177.5	174.2	-168.1	0	110.9	T809 L810 A815 I816 D817	T809-K813 VanDerWaalsContact O-CB 3.31Å; T809-K813 WeakPolarHBondContact O-CB 3.48Å; T809-K813 PolarHBondContact O-N 3.35Å; L810-K813 PolarHBondContact O-N 2.91Å; K813-A815 PolarHBondContact O-N 2.77Å; K813-I816 PolarHBondContact O-N 3.41Å; K813-D817 WeakPolarHBondContact O-CB 3.48Å; K813-D817 VanDerWaalsContact O-CG 3.23Å; K813-D817 PolarHBondContact O-N 3.45Å
814	E	48.7	Very low	42.3	Very low	121 Å²	121	109.9 Å²	109.9	57%	0.565	57%	0.566	S	S	*	*	H	α-helix	trans	-63.3	-39.4	174.4	-73.7	177	167.3	0	0	112.1	L810 A818	L810-E814 WeakPolarHBondContact O-CB 3.37Å; L810-E814 VanDerWaalsContact O-CG 3.3Å; L810-E814 WeakPolarHBondContact O-CG 3.47Å; L810-E814 PolarHBondContact O-N 3.49Å; E814-A818 WeakPolarHBondContact O-CB 3.22Å; E814-A818 PolarHBondContact O-N 3.44Å
815	A	47.1	Very low	42.6	Very low	60 Å²	60	103.4 Å²	103.4	50%	0.496	55%	0.553	S	S	.	*	H	α-helix	trans	-67.7	-39.4	175.6	0	0	0	0	0	112.5	A811 R812 K813 K819	A811-A815 VanDerWaalsContact O-CB 3.26Å; A811-A815 WeakPolarHBondContact O-CB 3.13Å; A811-A815 PolarHBondContact O-N 2.83Å; R812-A815 PolarHBondContact O-N 3.02Å; K813-A815 PolarHBondContact O-N 2.77Å; A815-K819 VanDerWaalsContact O-CB 3.31Å; A815-K819 WeakPolarHBondContact O-CB 3.46Å; A815-K819 PolarHBondContact O-N 2.97Å
816	I	46.6	Very low	42.5	Very low	99 Å²	99	107.4 Å²	107.4	51%	0.508	58%	0.575	S	S	.	*	H	α-helix	trans	-70.9	-42.1	175.9	-67.7	167	0	0	0	110.6	R812 K813 K819 M820	R812-I816 WeakPolarHBondContact O-CB 3.32Å; R812-I816 VanDerWaalsContact O-CG1 3.26Å; R812-I816 WeakPolarHBondContact O-CG1 3.42Å; R812-I816 PolarHBondContact O-N 2.92Å; K813-I816 PolarHBondContact O-N 3.41Å; I816-K819 CarbonylContact O-C 3.47Å; I816-K819 PolarHBondContact O-N 3.47Å; I816-M820 WeakPolarHBondContact O-CB 3.43Å; I816-M820 PolarHBondContact O-N 3.02Å
817	D	54.1	Low	42	Very low	68 Å²	68	109.7 Å²	109.7	36%	0.364	59%	0.587	S	S	.	*	H	α-helix	trans	-67	-35.9	176.8	-75.8	-18.8	0	0	0	111.3	K813 K821	K813-D817 WeakPolarHBondContact O-CB 3.48Å; K813-D817 VanDerWaalsContact O-CG 3.23Å; K813-D817 PolarHBondContact O-N 3.45Å; D817-K821 WeakPolarHBondContact O-CB 3.42Å; D817-K821 VanDerWaalsContact O-CG 3.25Å; D817-K821 WeakPolarHBondContact O-CG 3.47Å; D817-K821 PolarHBondContact O-N 3.11Å
818	A	43.9	Very low	41.6	Very low	60 Å²	60	109.5 Å²	109.5	50%	0.496	59%	0.587	S	S	.	*	H	α-helix	trans	-66.2	-38.5	171.4	0	0	0	0	0	111.6	E814 S822	E814-A818 WeakPolarHBondContact O-CB 3.22Å; E814-A818 PolarHBondContact O-N 3.44Å; A818-S822 PolarHBondContact O-N 3.18Å; A818-S822 VanDerWaalsContact O-N 3.1Å
819	K	42.8	Very low	41.3	Very low	147 Å²	147	108.2 Å²	108.2	64%	0.639	59%	0.59	S	S	*	*	H	α-helix	trans	-71.3	-41.9	177.1	-156.3	169.1	-175	178.2	0	111.6	A815 I816 S822 I823	A815-K819 VanDerWaalsContact O-CB 3.31Å; A815-K819 WeakPolarHBondContact O-CB 3.46Å; A815-K819 PolarHBondContact O-N 2.97Å; I816-K819 CarbonylContact O-C 3.47Å; I816-K819 PolarHBondContact O-N 3.47Å; K819-S822 PolarHBondContact O-N 2.98Å; K819-S822 PolarHBondContact O-OG 3.27Å; K819-I823 WeakPolarHBondContact O-CD1 3.34Å; K819-I823 WeakPolarHBondContact O-CG1 3.43Å; K819-I823 PolarHBondContact O-N 3.37Å
820	M	40.4	Very low	40.3	Very low	124 Å²	124	113.9 Å²	113.9	61%	0.611	61%	0.612	S	S	*	*	H	α-helix	trans	-67.4	-39.9	174.3	-82	-160.7	165.9	0	0	112.4	I816 S822 I823 T824	I816-M820 WeakPolarHBondContact O-CB 3.43Å; I816-M820 PolarHBondContact O-N 3.02Å; M820-S822 PolarHBondContact O-N 3.3Å; M820-I823 PolarHBondContact O-N 3.07Å; M820-T824 PolarHBondContact O-N 3.4Å; M820-T824 PolarHBondContact O-OG1 2.69Å
821	K	44.8	Very low	39.6	Very low	155 Å²	155	116.4 Å²	116.4	67%	0.674	63%	0.633	S	S	*	*	H	α-helix	trans	-63.9	-29.1	173.4	-79.9	174.4	178.9	172.7	0	112.8	D817 I823 T824	D817-K821 WeakPolarHBondContact O-CB 3.42Å; D817-K821 VanDerWaalsContact O-CG 3.25Å; D817-K821 WeakPolarHBondContact O-CG 3.47Å; D817-K821 PolarHBondContact O-N 3.11Å; K821-I823 VanDerWaalsContact C-N 3.32Å; K821-T824 PolarHBondContact O-OG1 2.88Å
822	S	36.3	Very low	38.9	Very low	85 Å²	85	123.3 Å²	123.3	59%	0.594	65%	0.654	S	S	*	*	H	α-helix	trans	-75	-18.6	173	80.5	0	0	0	0	114	A818 K819 M820	A818-S822 PolarHBondContact O-N 3.18Å; A818-S822 VanDerWaalsContact O-N 3.1Å; K819-S822 PolarHBondContact O-N 2.98Å; K819-S822 PolarHBondContact O-OG 3.27Å; M820-S822 PolarHBondContact O-N 3.3Å
823	I	42.2	Very low	38	Very low	127 Å²	127	121.4 Å²	121.4	65%	0.651	67%	0.666	S	S	*	*	H	α-helix	trans	-93	-15.7	-179.5	-67.9	161.6	0	0	0	111.8	K819 M820 K821	K819-I823 WeakPolarHBondContact O-CD1 3.34Å; K819-I823 WeakPolarHBondContact O-CG1 3.43Å; K819-I823 PolarHBondContact O-N 3.37Å; M820-I823 PolarHBondContact O-N 3.07Å; K821-I823 VanDerWaalsContact C-N 3.32Å
824	T	37.3	Very low	37.1	Very low	108 Å²	108	123.6 Å²	123.6	66%	0.663	68%	0.682	S	S	*	*	S	Bend	trans	-97.3	11.9	-174.5	50	0	0	0	0	115.9	M820 K821	M820-T824 PolarHBondContact O-N 3.4Å; M820-T824 PolarHBondContact O-OG1 2.69Å; K821-T824 PolarHBondContact O-OG1 2.88Å
825	T	37.2	Very low	36.1	Very low	105 Å²	105	124.6 Å²	124.6	64%	0.644	70%	0.697	S	S	*	*	S	Bend	trans	-136.9	57.6	176.6	61	0	0	0	0	112.3
826	D	32.8	Very low	35.1	Very low	163 Å²	163	132.8 Å²	132.8	87%	0.872	72%	0.715	S	S	*	*			trans	-165.7	114.9	143.6	-101.5	-20.7	0	0	0	108.8
827	N	30.1	Very low	34.2	Very low	158 Å²	158	139.1 Å²	139.1	85%	0.845	73%	0.734	S	S	*	*			trans	-74.6	151.3	176.7	-78.4	-41.5	0	0	0	110.5
828	D	28.2	Very low	32.8	Very low	154 Å²	154	144.1 Å²	144.1	82%	0.824	76%	0.755	S	S	*	*	S	Bend	trans	86	72.8	169.1	-58.3	-19.2	0	0	0	117.6
829	S	31	Very low	32	Very low	118 Å²	118	150 Å²	150	83%	0.825	77%	0.772	S	S	*	*				168.6	130.3	124.9	43.2	0	0	0	0	112
830	H	25.5	Very low	31.2	Very low	178 Å²	178	147 Å²	147	82%	0.824	78%	0.775	S	S	*	*			trans	-55.2	135.7	-176.8	-68.3	-82	0	0	0	115
831	P	28.2	Very low	30.5	Very low	130 Å²	130	148 Å²	148	84%	0.844	78%	0.783	S	S	*	*			trans	-103	97.4	150.5	32.1	-20.4	0	0	0	109.4
832	K	26	Very low	29.7	Very low	195 Å²	195	147.4 Å²	147.4	85%	0.848	79%	0.787	S	S	*	*			trans	-87.6	112.7	161.6	-85.3	-177.5	174.7	-179.4	0	108.5
833	A	27.9	Very low	29.3	Very low	91 Å²	91	148.5 Å²	148.5	75%	0.752	79%	0.79	S	S	*	*			trans	171.9	115.3	149.9	0	0	0	0	0	105.6
834	L	27.8	Very low	28.6	Very low	150 Å²	150	148 Å²	148	79%	0.785	79%	0.789	S	S	*	*				-151.5	115.2	53.1	-76.9	138.3	0	0	0	110.2
835	T	28.3	Very low	28.1	Very low	142 Å²	142	152.1 Å²	152.1	87%	0.871	79%	0.792	S	S	*	*			trans	-146	112	152.3	45.7	0	0	0	0	107.5
836	W	25.5	Very low	27.8	Very low	231 Å²	231	154.1 Å²	154.1	88%	0.875	80%	0.798	S	S	*	*			trans	-66.9	125.9	169.2	-76.5	66.3	0	0	0	109.5
837	Y	29	Very low	27.6	Very low	233 Å²	233	157.4 Å²	157.4	91%	0.914	80%	0.798	S	S	*	*			trans	-173.5	139.6	135.4	-97.9	-72.1	0	0	0	109.3
838	Q	24.3	Very low	27.5	Very low	172 Å²	172	156 Å²	156	80%	0.804	80%	0.797	S	S	*	*			trans	-65.2	145.7	-171	-66.6	164.3	-41.1	0	0	113.7
839	E	25.7	Very low	27.5	Very low	183 Å²	183	155.8 Å²	155.8	86%	0.855	80%	0.796	S	S	*	*				172	127.2	107.4	-91.8	-178.8	176.4	0	0	114
840	A	26.9	Very low	27.7	Very low	84 Å²	84	155.2 Å²	155.2	69%	0.694	79%	0.79	S	S	*	*			trans	47.2	115.2	139.4	0	0	0	0	0	123.4
841	N	25.7	Very low	27.8	Very low	147 Å²	147	154.4 Å²	154.4	79%	0.786	79%	0.788	S	S	*	*				48.6	112.4	126.4	-59.8	-14.3	0	0	0	120.3
842	N	28.8	Very low	27.8	Very low	142 Å²	142	157 Å²	157	76%	0.759	79%	0.786	S	S	*	*				176.3	119.8	92.9	-104.8	-21.9	0	0	0	112.6
843	T	26.7	Very low	28.2	Very low	108 Å²	108	153.1 Å²	153.1	66%	0.663	78%	0.784	S	S	*	*			trans	36.7	142.3	133	60.6	0	0	0	0	123.2
844	D	27	Very low	28.2	Very low	116 Å²	116	158.5 Å²	158.5	62%	0.62	79%	0.79	S	S	*	*			trans	81	131.3	147	-76.1	-8	0	0	0	116.1
845	R	27.4	Very low	28.4	Very low	195 Å²	195	158.1 Å²	158.1	74%	0.736	79%	0.794	S	S	*	*			cis	177.1	159.9	4.9	-122.9	171.6	-151.7	-165	3.8	107.7
846	I	31	Very low	28.3	Very low	147 Å²	147	156.9 Å²	156.9	75%	0.754	79%	0.79	S	S	*	*			trans	87.2	111.1	145.3	-62	156.9	0	0	0	119.6
847	R	28	Very low	28.6	Very low	231 Å²	231	149.6 Å²	149.6	87%	0.872	79%	0.787	S	S	*	*			trans	-68.8	166	156.1	-64.3	-179.9	-171.2	-175.5	2.2	111
848	P	28.7	Very low	28.5	Very low	128 Å²	128	150.2 Å²	150.2	83%	0.831	79%	0.788	S	S	*	*				-147.6	147.4	110.5	30.8	-11.8	0	0	0	116.2
849	N	27.9	Very low	28.8	Very low	150 Å²	150	151.6 Å²	151.6	80%	0.802	79%	0.791	S	S	*	*			trans	-98.3	-175.1	153.3	-118.3	-7.9	0	0	0	106.8
850	P	36.1	Very low	28.9	Very low	107 Å²	107	153 Å²	153	70%	0.695	79%	0.794	S	S	*	*			cis	-140.1	-164.3	-28.7	33.5	-10.7	0	0	0	113
851	M	26.8	Very low	28.9	Very low	161 Å²	161	153.8 Å²	153.8	79%	0.793	80%	0.795	S	S	*	*			trans	110.5	137.8	133	-137.3	-174.1	173.9	0	0	121.5
852	K	28.8	Very low	29	Very low	185 Å²	185	153.8 Å²	153.8	80%	0.804	80%	0.795	S	S	*	*			trans	91.5	140.3	158.1	-55.8	179.4	-175.3	171.6	0	116.4
853	S	33.8	Very low	28.9	Very low	113 Å²	113	154.6 Å²	154.6	79%	0.79	80%	0.798	S	S	*	*			cis	-159.5	160.5	13.7	60.2	0	0	0	0	112
854	K	27.2	Very low	28.9	Very low	204 Å²	204	157 Å²	157	89%	0.887	81%	0.805	S	S	*	*			trans	-86.2	142.4	171.1	-74.8	171.7	172.3	169	0	111
855	V	33.3	Very low	28.8	Very low	142 Å²	142	156.5 Å²	156.5	86%	0.861	82%	0.817	S	S	*	*			trans	-142.1	133.7	149.4	-179.5	0	0	0	0	110.7
856	S	26.6	Very low	28.7	Very low	115 Å²	115	156 Å²	156	80%	0.804	82%	0.821	S	S	*	*			trans	-91.1	150.7	179.6	69.6	0	0	0	0	112.8
857	G	31.2	Very low	28.4	Very low	78 Å²	78	154.4 Å²	154.4	80%	0.804	82%	0.82	S	S	*	*			trans	-156.6	129	166.5	0	0	0	0	0	112.5
858	R	27.2	Very low	28.4	Very low	247 Å²	247	151 Å²	151	93%	0.932	82%	0.817	S	S	*	*			trans	-77.4	147.3	-173	-85.6	169.9	164.1	162.3	-7.4	113.5
859	K	30.6	Very low	28.5	Very low	201 Å²	201	153.2 Å²	153.2	87%	0.874	82%	0.817	S	S	*	*			trans	10	130.3	148.4	-66.3	-178.1	175.3	-176.7	0	118.2
860	K	27.6	Very low	28.8	Very low	211 Å²	211	150.9 Å²	150.9	92%	0.917	80%	0.803	S	S	*	*				-159.4	135.4	127.9	-105.2	170	-173.3	-174.9	0	110.8
861	S	27	Very low	29.3	Very low	101 Å²	101	155 Å²	155	71%	0.706	81%	0.81	S	S	*	*			trans	-59.6	141.6	171.7	45.4	0	0	0	0	112.2
862	N	27.7	Very low	30.3	Very low	147 Å²	147	158.4 Å²	158.4	79%	0.786	81%	0.814	S	S	*	*			trans	-170.9	102.1	149	-86.2	-17.2	0	0	0	105
863	I	26.2	Very low	31.5	Very low	160 Å²	160	152.3 Å²	152.3	82%	0.821	79%	0.788	S	S	*	*				40.6	81.3	97.5	-49.8	174.4	0	0	0	110.5
864	L	26.6	Very low	32.4	Very low	157 Å²	157	152.7 Å²	152.7	82%	0.822	78%	0.781	S	S	*	*			trans	-157.2	110.5	148	-135.9	80	0	0	0	107.6	K866	L864-K866 PolarHBondContact O-N 3.07Å; L864-K866 VanDerWaalsContact O-N 3.11Å
865	A	25.7	Very low	33.9	Very low	106 Å²	106	144 Å²	144	88%	0.876	75%	0.746	S	S	*	*			trans	-56.8	111.8	176.4	0	0	0	0	0	109.4
866	K	25.2	Very low	35.6	Very low	184 Å²	184	144.2 Å²	144.2	80%	0.8	74%	0.737	S	S	*	*			trans	-96.6	132.2	164.2	-74.9	-173.9	176.6	-176.3	0	107.6	L864 I868	L864-K866 PolarHBondContact O-N 3.07Å; L864-K866 VanDerWaalsContact O-N 3.11Å; K866-I868 PolarHBondContact O-N 3Å
867	P	24.2	Very low	38.3	Very low	115 Å²	115	139.8 Å²	139.8	75%	0.747	70%	0.704	S	S	*	*			trans	-58.5	136.3	177.3	26.2	-32.3	0	0	0	108.6	Q869	P867-Q869 VanDerWaalsContact C-N 3.34Å; P867-Q869 PolarHBondContact O-N 3.09Å
868	I	27.1	Very low	40.7	Very low	158 Å²	158	138.4 Å²	138.4	81%	0.81	68%	0.681	S	S	*	*			trans	-62.3	96.3	178.8	-64.2	167.2	0	0	0	107.1	K866 I870	K866-I868 PolarHBondContact O-N 3Å; I868-I870 PolarHBondContact O-N 3.27Å
869	Q	30.7	Very low	43.1	Very low	175 Å²	175	131.6 Å²	131.6	82%	0.818	67%	0.667	S	S	*	*			trans	-66.9	111.9	166.8	-78.1	-175.4	-12.2	0	0	107.5	P867 K871	P867-Q869 VanDerWaalsContact C-N 3.34Å; P867-Q869 PolarHBondContact O-N 3.09Å; Q869-K871 PolarHBondContact O-N 2.57Å
870	I	34.9	Very low	45.4	Very low	102 Å²	102	128.1 Å²	128.1	52%	0.523	66%	0.658	S	S	.	*			trans	-57.4	100.3	172.9	-60.6	152.2	0	0	0	107.5	I868 R872 E952	I868-I870 PolarHBondContact O-N 3.27Å; I870-R872 PolarHBondContact O-N 3.21Å; I870-R872 VanDerWaalsContact O-N 3.08Å; I870-E952 WeakPolarHBondContact CD1-OE1 3.37Å
871	K	46.4	Very low	48.1	Very low	192 Å²	192	120.5 Å²	120.5	84%	0.835	63%	0.626	S	S	*	*			trans	-65.7	109.5	166.5	-84.2	-174.1	173.7	-174.1	0	106.4	Q869 F873	Q869-K871 PolarHBondContact O-N 2.57Å; K871-F873 PolarHBondContact O-N 2.82Å; K871-F873 VanDerWaalsContact O-N 3.12Å
872	R	47.9	Very low	50.7	Low	233 Å²	233	118.1 Å²	118.1	88%	0.879	60%	0.604	S	S	*	*			trans	-38.9	120.1	168.3	-77.5	-180	170.3	167.7	-3.9	108.9	I870 N874	I870-R872 PolarHBondContact O-N 3.21Å; I870-R872 VanDerWaalsContact O-N 3.08Å; R872-N874 PolarHBondContact O-N 2.91Å; R872-N874 VanDerWaalsContact O-N 3.15Å
873	F	53.5	Low	53.4	Low	58 Å²	58	114.7 Å²	114.7	25%	0.254	58%	0.579	S	S	.	*			trans	-61.7	115.5	173.5	-57.4	-78.3	0	0	0	107.1	K871 L900 F956 E959	K871-F873 PolarHBondContact O-N 2.82Å; K871-F873 VanDerWaalsContact O-N 3.12Å; F873-L900 HydrophobicContact CD1-CD2 4.37Å; F873-F956 HydrophobicContact CD1-CD2 4.06Å; F873-F956 HydrophobicContact CD1-CE2 4.46Å; F873-F956 AromaticContact CE1-CD2 3.57Å; F873-F956 HydrophobicContact CE1-CD2 3.57Å; F873-F956 AromaticContact CE1-CE2 3.91Å; F873-F956 HydrophobicContact CE1-CE2 3.91Å; F873-F956 HydrophobicContact CE2-CD2 4.17Å; F873-F956 AromaticContact CZ-CD2 3.64Å; F873-F956 HydrophobicContact CZ-CD2 3.64Å; F873-F956 HydrophobicContact CZ-CE2 4.32Å; F873-E959 HydrophobicContact CB-CB 4.44Å; F873-E959 HydrophobicContact CB-CG 3.72Å
874	N	53.2	Low	56.2	Low	121 Å²	121	108.9 Å²	108.9	65%	0.647	55%	0.55	S	S	*	*			trans	-131.6	83.4	-180	-151.6	13.9	0	0	0	107.5	R872 Q876	R872-N874 PolarHBondContact O-N 2.91Å; R872-N874 VanDerWaalsContact O-N 3.15Å; N874-Q876 PolarHBondContact O-N 3.47Å
875	C	59	Low	59.1	Low	21 Å²	21	102.3 Å²	102.3	14%	0.142	52%	0.517	C	S	.	.			trans	-76.8	95.6	176.4	178.6	0	0	0	0	109.5	L898 E959	C875-L898 VanDerWaalsContact SG-CD1 3.56Å; C875-E959 WeakPolarHBondContact CB-OE2 3.46Å; C875-E959 PolarHBondContact N-OE2 3.43Å
876	Q	69.9	Low	62	Low	147 Å²	147	97.3 Å²	97.3	69%	0.687	48%	0.475	S	S	*	.			trans	-100.5	93.9	173.4	-68.6	-178.7	-18.2	0	0	109.8	N874	N874-Q876 PolarHBondContact O-N 3.47Å
877	I	82.3	Confident	65	Low	22 Å²	22	97.9 Å²	97.9	11%	0.113	47%	0.472	C	S	.	.			trans	-98.1	127.2	166.7	-54.3	173.2	0	0	0	106.7	W889 Y893 L898 A963 R966 Y967	I877-W889 HydrophobicContact CG2-CH2 4.07Å; I877-W889 HydrophobicContact CG2-CZ2 3.56Å; I877-Y893 HydrophobicContact CB-CD1 4.33Å; I877-Y893 HydrophobicContact CG1-CD1 4Å; I877-Y893 HydrophobicContact CG1-CG 4.31Å; I877-Y893 HydrophobicContact CG2-CD1 4.18Å; I877-Y893 HydrophobicContact CG2-CD2 4.43Å; I877-Y893 HydrophobicContact CG2-CG 4.08Å; I877-L898 HydrophobicContact CD1-CD1 3.95Å; I877-L898 HydrophobicContact CG1-CD1 4.21Å; I877-L898 HydrophobicContact CG1-CD2 4.42Å; I877-A963 HydrophobicContact CD1-CB 4.22Å; I877-R966 HydrophobicContact CB-CB 4.45Å; I877-R966 HydrophobicContact CB-CG 3.96Å; I877-R966 HydrophobicContact CD1-CB 3.83Å; I877-R966 HydrophobicContact CD1-CG 4.29Å; I877-R966 HydrophobicContact CG2-CB 4.23Å; I877-R966 HydrophobicContact CG2-CG 3.61Å; I877-Y967 HydrophobicContact CD1-CE1 4.41Å
878	P	82.1	Confident	68.1	Low	49 Å²	49	96.8 Å²	96.8	32%	0.318	46%	0.457	S	S	.	.			trans	-51.9	148.7	-179.8	-27.8	34.7	0	0	0	113.3	Y893	P878-Y893 WeakPolarHBondContact CD-OH 3.22Å; P878-Y893 HydrophobicContact CG-CE1 4.44Å; P878-Y893 WeakPolarHBondContact CG-OH 3.39Å
879	T	78.4	Confident	71.1	Confident	104 Å²	104	89.4 Å²	89.4	64%	0.638	42%	0.419	S	S	*	.	S	Bend	trans	-75.4	-30.1	175	43.3	0	0	0	0	112.6	R966	T879-R966 VanDerWaalsContact C-NH2 3.25Å; T879-R966 PolarHBondContact O-NH2 3.36Å
880	D	78.5	Confident	73.9	Confident	127 Å²	127	81.9 Å²	81.9	68%	0.679	38%	0.384	S	S	*	.	S	Bend	trans	-91.3	146	-180	-54.5	-38.7	0	0	0	110.5	E882	D880-E882 PolarHBondContact O-N 2.72Å
881	E	83.1	Confident	76.5	Confident	52 Å²	52	87.2 Å²	87.2	24%	0.243	40%	0.398	C	S	.	.			trans	-79.6	115.9	-175.8	-65.4	-58	148.4	0	0	110.7	R966 R970 W973	E881-R966 IonicContact OE1-NH1 3.6Å; E881-R966 PolarHBondContact OE1-NH1 3.33Å; E881-R970 WeakPolarHBondContact OE2-CD 3.3Å; E881-R970 IonicContact OE2-CZ 3.79Å; E881-R970 IonicContact OE2-NE 2.7Å; E881-R970 IonicContact OE2-NH1 2.96Å; E881-R970 PolarHBondContact OE2-NH1 3.06Å; E881-W973 HydrophobicContact CB-CD2 3.84Å; E881-W973 HydrophobicContact CB-CE3 4.27Å; E881-W973 HydrophobicContact CB-CG 4.24Å; E881-W973 HydrophobicContact CB-CH2 4.37Å; E881-W973 HydrophobicContact CB-CZ2 3.98Å; E881-W973 HydrophobicContact CG-CB 4.22Å; E881-W973 HydrophobicContact CG-CD2 3.9Å; E881-W973 HydrophobicContact CG-CE3 4.48Å; E881-W973 HydrophobicContact CG-CG 3.79Å
882	E	82.1	Confident	78.4	Confident	51 Å²	51	82.8 Å²	82.8	24%	0.238	38%	0.379	C	S	.	.			trans	-72.8	141.9	178.1	-60.7	-171.9	147.4	0	0	111.2	D880 L884 K892 Y893 R970	D880-E882 PolarHBondContact O-N 2.72Å; E882-L884 HydrophobicContact CB-CD1 4.31Å; E882-L884 HydrophobicContact CB-CG 4.14Å; E882-L884 PolarHBondContact O-N 3.06Å; E882-L884 WeakPolarHBondContact OE2-CD1 3.45Å; E882-K892 IonicContact OE1-NZ 2.76Å; E882-K892 PolarHBondContact OE1-NZ 3.28Å; E882-K892 VanDerWaalsContact OE1-NZ 3.15Å; E882-K892 IonicContact OE2-NZ 3.98Å; E882-K892 PolarHBondContact OE2-NZ 3.03Å; E882-Y893 PolarHBondContact OE1-OH 3.03Å; E882-R970 PolarHBondContact O-NH1 3.41Å; E882-R970 PolarHBondContact O-NH2 2.86Å
883	R	84	Confident	80.5	Confident	74 Å²	74	73.1 Å²	73.1	28%	0.279	34%	0.342	S	S	.	.	S	Bend	trans	-74.8	58.1	172.9	-167.4	-173.3	172.8	-165.3	-5.4	111.7	L984 I985 E987	R883-L984 HydrophobicContact CG-CD1 4.44Å; R883-L984 HydrophobicContact CG-CD2 4.47Å; R883-I985 VanDerWaalsContact CZ-O 3.25Å; R883-I985 PolarHBondContact NE-O 3.36Å; R883-I985 PolarHBondContact NH2-O 3.21Å; R883-E987 PolarHBondContact NH2-O 2.65Å
884	L	85.3	Confident	82.1	Confident	39 Å²	39	71.3 Å²	71.3	20%	0.204	34%	0.337	C	S	.	.			trans	-120.6	145.8	178.1	-65.8	-177.3	0	0	0	111.3	E882 E888 W889 K892 R970 L984	E882-L884 HydrophobicContact CB-CD1 4.31Å; E882-L884 HydrophobicContact CB-CG 4.14Å; E882-L884 PolarHBondContact O-N 3.06Å; E882-L884 WeakPolarHBondContact OE2-CD1 3.45Å; L884-E888 HydrophobicContact CB-CB 4.11Å; L884-E888 HydrophobicContact CD1-CB 4.43Å; L884-W889 HydrophobicContact CB-CB 4.31Å; L884-K892 HydrophobicContact CD1-CD 4.27Å; L884-R970 PolarHBondContact O-NH2 3.41Å; L884-L984 WeakPolarHBondContact O-CD2 3.46Å
885	T	86.7	Confident	83.7	Confident	19 Å²	19	65.9 Å²	65.9	12%	0.117	31%	0.307	C	S	.	.			trans	-56.8	151.7	170.5	63.5	0	0	0	0	109.9	R887 E888 W889 C986	T885-R887 PolarHBondContact O-N 3.37Å; T885-E888 PolarHBondContact N-OE2 3.19Å; T885-E888 PolarHBondContact O-N 2.83Å; T885-E888 VanDerWaalsContact OG1-CD 3.3Å; T885-E888 VanDerWaalsContact OG1-CG 3.27Å; T885-E888 WeakPolarHBondContact OG1-CG 3.31Å; T885-E888 PolarHBondContact OG1-N 3.03Å; T885-E888 PolarHBondContact OG1-OE2 2.88Å; T885-W889 WeakPolarHBondContact O-CB 3.41Å; T885-W889 PolarHBondContact O-N 3.28Å; T885-C986 HydrophobicContact CG2-CB 4.3Å; T885-C986 VanDerWaalsContact CG2-SG 3.59Å
886	S	88.4	Confident	84.9	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-57.2	-30.9	179.9	-67.7	0	0	0	0	112.2	L890 L974 D1248 I1252	S886-L890 VanDerWaalsContact O-CB 3.26Å; S886-L890 WeakPolarHBondContact O-CB 3.34Å; S886-L890 WeakPolarHBondContact O-CG 3.42Å; S886-L890 PolarHBondContact O-N 2.96Å; S886-L974 VanDerWaalsContact OG-CD1 3.3Å; S886-L974 WeakPolarHBondContact OG-CD1 3.47Å; S886-D1248 WeakPolarHBondContact CB-O 3.31Å; S886-D1248 PolarHBondContact N-OD1 2.97Å; S886-D1248 WeakPolarHBondContact OG-CA 3.07Å; S886-D1248 WeakPolarHBondContact OG-CB 3.48Å; S886-D1248 PolarHBondContact OG-O 2.93Å; S886-I1252 WeakPolarHBondContact OG-CG1 3.31Å
887	R	88	Confident	85.6	Confident	196 Å²	196	70 Å²	70	74%	0.74	32%	0.323	S	S	*	.	H	α-helix	trans	-65.4	-43.2	175.7	-171.9	176.3	-178.3	169.8	-0.5	112.9	T885 R891 L1251	T885-R887 PolarHBondContact O-N 3.37Å; R887-R891 PolarHBondContact O-N 2.91Å; R887-R891 VanDerWaalsContact O-N 3.11Å; R887-L1251 HydrophobicContact CB-CD1 3.77Å; R887-L1251 HydrophobicContact CG-CD1 4.41Å
888	E	88.3	Confident	85.7	Confident	92 Å²	92	71.1 Å²	71.1	43%	0.43	33%	0.328	S	S	.	.	H	α-helix	trans	-73.7	-40.9	178.8	-72	167.2	145.3	0	0	111.6	L884 T885 R891 K892	L884-E888 HydrophobicContact CB-CB 4.11Å; L884-E888 HydrophobicContact CD1-CB 4.43Å; T885-E888 PolarHBondContact N-OE2 3.19Å; T885-E888 PolarHBondContact O-N 2.83Å; T885-E888 VanDerWaalsContact OG1-CD 3.3Å; T885-E888 VanDerWaalsContact OG1-CG 3.27Å; T885-E888 WeakPolarHBondContact OG1-CG 3.31Å; T885-E888 PolarHBondContact OG1-N 3.03Å; T885-E888 PolarHBondContact OG1-OE2 2.88Å; E888-R891 VanDerWaalsContact O-CB 3.27Å; E888-R891 WeakPolarHBondContact O-CB 3.49Å; E888-R891 PolarHBondContact O-N 3.42Å; E888-R891 VanDerWaalsContact O-N 3.11Å; E888-K892 PolarHBondContact O-N 2.76Å
889	W	90.4	Very high	85.4	Confident	4 Å²	4	69 Å²	69	2%	0.015	32%	0.315	C	S	.	.	H	α-helix	trans	-60.3	-48	175.6	-168.5	89.9	0	0	0	110.9	I877 L884 T885 R891 K892 Y893 Y967 R970 I1252	I877-W889 HydrophobicContact CG2-CH2 4.07Å; I877-W889 HydrophobicContact CG2-CZ2 3.56Å; L884-W889 HydrophobicContact CB-CB 4.31Å; T885-W889 WeakPolarHBondContact O-CB 3.41Å; T885-W889 PolarHBondContact O-N 3.28Å; W889-R891 VanDerWaalsContact C-N 3.27Å; W889-R891 PolarHBondContact O-N 2.84Å; W889-K892 PolarHBondContact O-N 3.36Å; W889-K892 VanDerWaalsContact O-N 3.11Å; W889-Y893 AromaticContact CD1-CD2 3.85Å; W889-Y893 AromaticContact CD2-CD2 3.77Å; W889-Y893 HydrophobicContact CD2-CD2 3.77Å; W889-Y893 AromaticContact CE2-CD2 3.53Å; W889-Y893 HydrophobicContact CE3-CD2 4.41Å; W889-Y893 AromaticContact CG-CD2 3.99Å; W889-Y893 HydrophobicContact CG-CD2 3.99Å; W889-Y893 AromaticContact CZ2-CD2 3.98Å; W889-Y893 HydrophobicContact CZ2-CD2 3.98Å; W889-Y893 HydrophobicContact CZ2-CG 4.35Å; W889-Y893 AromaticContact NE1-CD2 3.58Å; W889-Y893 AromaticContact NE1-CE2 3.83Å; W889-Y893 VanDerWaalsContact O-CD2 3.31Å; W889-Y893 WeakPolarHBondContact O-CD2 3.37Å; W889-Y893 PolarHBondContact O-N 2.9Å; W889-Y967 AromaticContact CH2-CD1 3.56Å; W889-Y967 HydrophobicContact CH2-CD1 3.56Å; W889-Y967 AromaticContact CH2-CE1 3.71Å; W889-Y967 HydrophobicContact CH2-CE1 3.71Å; W889-Y967 AromaticContact CZ3-CD1 3.44Å; W889-Y967 HydrophobicContact CZ3-CD1 3.44Å; W889-Y967 VanDerWaalsContact CZ3-CD1 3.44Å; W889-Y967 AromaticContact CZ3-CE1 3.5Å; W889-Y967 HydrophobicContact CZ3-CE1 3.5Å; W889-Y967 VanDerWaalsContact CZ3-CE1 3.5Å; W889-R970 HydrophobicContact CD2-CG 4.46Å; W889-R970 HydrophobicContact CE3-CG 4.48Å; W889-R970 HydrophobicContact CH2-CB 4.49Å; W889-I1252 HydrophobicContact CE3-CD1 4.09Å; W889-I1252 HydrophobicContact CZ3-CD1 4.34Å
890	L	90.5	Very high	85.4	Confident	17 Å²	17	64.1 Å²	64.1	9%	0.089	29%	0.285	C	S	.	.	H	α-helix	trans	-66.1	-25	174.5	-71.9	175	0	0	0	113.3	S886 K892 Y893 S894 Y967 L1251 I1252 E1255	S886-L890 VanDerWaalsContact O-CB 3.26Å; S886-L890 WeakPolarHBondContact O-CB 3.34Å; S886-L890 WeakPolarHBondContact O-CG 3.42Å; S886-L890 PolarHBondContact O-N 2.96Å; L890-K892 PolarHBondContact O-N 2.87Å; L890-Y893 PolarHBondContact O-N 3.32Å; L890-S894 WeakPolarHBondContact O-CA 3.46Å; L890-S894 WeakPolarHBondContact O-CB 3.32Å; L890-S894 PolarHBondContact O-N 3.32Å; L890-S894 PolarHBondContact O-OG 3.12Å; L890-S894 VanDerWaalsContact O-OG 3.06Å; L890-Y967 HydrophobicContact CD2-CE1 4.31Å; L890-L1251 HydrophobicContact CD1-CB 3.92Å; L890-I1252 HydrophobicContact CD1-CD1 4.09Å; L890-I1252 HydrophobicContact CD2-CD1 4.11Å; L890-I1252 HydrophobicContact CG-CD1 3.95Å; L890-E1255 HydrophobicContact CD1-CB 4.24Å; L890-E1255 HydrophobicContact CD2-CB 3.73Å; L890-E1255 HydrophobicContact CD2-CG 3.56Å
891	R	88.6	Confident	85.1	Confident	213 Å²	213	60.4 Å²	60.4	80%	0.804	27%	0.265	S	S	*	.	H	α-helix	trans	-63.3	-31.7	173.7	-167.9	178.5	179.9	169.2	-1	111.9	R887 E888 W889 S897	R887-R891 PolarHBondContact O-N 2.91Å; R887-R891 VanDerWaalsContact O-N 3.11Å; E888-R891 VanDerWaalsContact O-CB 3.27Å; E888-R891 WeakPolarHBondContact O-CB 3.49Å; E888-R891 PolarHBondContact O-N 3.42Å; E888-R891 VanDerWaalsContact O-N 3.11Å; W889-R891 VanDerWaalsContact C-N 3.27Å; W889-R891 PolarHBondContact O-N 2.84Å; R891-S897 WeakPolarHBondContact O-CB 3.3Å
892	K	87	Confident	84.5	Confident	100 Å²	100	59.1 Å²	59.1	44%	0.435	26%	0.26	S	S	.	.	H	α-helix	trans	-85.4	-45.9	173.3	-63.1	-179.3	-178.5	177.1	0	111.8	E882 L884 E888 W889 L890 S897	E882-K892 IonicContact OE1-NZ 2.76Å; E882-K892 PolarHBondContact OE1-NZ 3.28Å; E882-K892 VanDerWaalsContact OE1-NZ 3.15Å; E882-K892 IonicContact OE2-NZ 3.98Å; E882-K892 PolarHBondContact OE2-NZ 3.03Å; L884-K892 HydrophobicContact CD1-CD 4.27Å; E888-K892 PolarHBondContact O-N 2.76Å; W889-K892 PolarHBondContact O-N 3.36Å; W889-K892 VanDerWaalsContact O-N 3.11Å; L890-K892 PolarHBondContact O-N 2.87Å; K892-S897 WeakPolarHBondContact O-CB 3.43Å; K892-S897 PolarHBondContact O-OG 3.1Å
893	Y	90.3	Very high	83.7	Confident	30 Å²	30	59.9 Å²	59.9	12%	0.118	27%	0.268	C	S	.	.	H	α-helix	trans	-117.4	13.5	-163.9	-51.2	-62.2	0	0	0	115.6	I877 P878 E882 W889 L890 S897 L898 Y967	I877-Y893 HydrophobicContact CB-CD1 4.33Å; I877-Y893 HydrophobicContact CG1-CD1 4Å; I877-Y893 HydrophobicContact CG1-CG 4.31Å; I877-Y893 HydrophobicContact CG2-CD1 4.18Å; I877-Y893 HydrophobicContact CG2-CD2 4.43Å; I877-Y893 HydrophobicContact CG2-CG 4.08Å; P878-Y893 WeakPolarHBondContact CD-OH 3.22Å; P878-Y893 HydrophobicContact CG-CE1 4.44Å; P878-Y893 WeakPolarHBondContact CG-OH 3.39Å; E882-Y893 PolarHBondContact OE1-OH 3.03Å; W889-Y893 AromaticContact CD1-CD2 3.85Å; W889-Y893 AromaticContact CD2-CD2 3.77Å; W889-Y893 HydrophobicContact CD2-CD2 3.77Å; W889-Y893 AromaticContact CE2-CD2 3.53Å; W889-Y893 HydrophobicContact CE3-CD2 4.41Å; W889-Y893 AromaticContact CG-CD2 3.99Å; W889-Y893 HydrophobicContact CG-CD2 3.99Å; W889-Y893 AromaticContact CZ2-CD2 3.98Å; W889-Y893 HydrophobicContact CZ2-CD2 3.98Å; W889-Y893 HydrophobicContact CZ2-CG 4.35Å; W889-Y893 AromaticContact NE1-CD2 3.58Å; W889-Y893 AromaticContact NE1-CE2 3.83Å; W889-Y893 VanDerWaalsContact O-CD2 3.31Å; W889-Y893 WeakPolarHBondContact O-CD2 3.37Å; W889-Y893 PolarHBondContact O-N 2.9Å; L890-Y893 PolarHBondContact O-N 3.32Å; Y893-S897 PolarHBondContact N-OG 3.4Å; Y893-L898 HydrophobicContact CD1-CD2 4.49Å; Y893-L898 WeakPolarHBondContact O-CD1 3.48Å; Y893-Y967 VanDerWaalsContact O-CE1 3.28Å; Y893-Y967 WeakPolarHBondContact O-CE1 3.36Å; Y893-Y967 PolarHBondContact O-OH 2.98Å
894	S	88.8	Confident	82.7	Confident	19 Å²	19	63.9 Å²	63.9	13%	0.133	28%	0.283	C	S	.	.	S	Bend	trans	-60.8	157.1	168.4	64.3	0	0	0	0	111.9	L890 R896 S897 L898 Y967 E1255	L890-S894 WeakPolarHBondContact O-CA 3.46Å; L890-S894 WeakPolarHBondContact O-CB 3.32Å; L890-S894 PolarHBondContact O-N 3.32Å; L890-S894 PolarHBondContact O-OG 3.12Å; L890-S894 VanDerWaalsContact O-OG 3.06Å; S894-R896 PolarHBondContact O-N 3.39Å; S894-R896 VanDerWaalsContact O-N 3.11Å; S894-S897 PolarHBondContact N-OG 3.06Å; S894-S897 PolarHBondContact O-N 3.42Å; S894-S897 PolarHBondContact O-OG 3.02Å; S894-S897 WeakPolarHBondContact OG-CB 3.33Å; S894-S897 PolarHBondContact OG-N 3Å; S894-S897 PolarHBondContact OG-OG 3.37Å; S894-L898 WeakPolarHBondContact O-CB 3.44Å; S894-L898 VanDerWaalsContact O-CG 3.32Å; S894-L898 WeakPolarHBondContact O-CG 3.47Å; S894-L898 PolarHBondContact O-N 3.3Å; S894-Y967 VanDerWaalsContact C-OH 3.27Å; S894-Y967 WeakPolarHBondContact CA-OH 3.49Å; S894-E1255 WeakPolarHBondContact CA-OE1 3.46Å; S894-E1255 VanDerWaalsContact CB-OE1 3.27Å; S894-E1255 WeakPolarHBondContact CB-OE1 3.45Å
895	I	86.4	Confident	81.5	Confident	7 Å²	7	62.2 Å²	62.2	4%	0.036	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-38.9	173.1	-64.8	164.6	0	0	0	109.9	G899 L900 Y967 E1255 T1258 A1259	I895-G899 PolarHBondContact O-N 2.89Å; I895-L900 HydrophobicContact CG2-CB 3.94Å; I895-L900 WeakPolarHBondContact CG2-O 3.36Å; I895-L900 PolarHBondContact O-N 2.92Å; I895-Y967 HydrophobicContact CD1-CE2 4.33Å; I895-Y967 HydrophobicContact CG1-CE2 3.91Å; I895-Y967 PolarHBondContact N-OH 2.86Å; I895-Y967 VanDerWaalsContact N-OH 3.08Å; I895-E1255 WeakPolarHBondContact CB-OE1 3.48Å; I895-E1255 HydrophobicContact CD1-CG 4.33Å; I895-E1255 HydrophobicContact CG1-CG 4.4Å; I895-E1255 WeakPolarHBondContact CG1-OE1 3.37Å; I895-E1255 PolarHBondContact N-OE1 3.29Å; I895-T1258 HydrophobicContact CD1-CG2 3.71Å; I895-A1259 VanDerWaalsContact CD1-CA 3.42Å; I895-A1259 HydrophobicContact CD1-CB 3.7Å; I895-A1259 HydrophobicContact CG1-CB 4.47Å
896	R	84.3	Confident	80.2	Confident	200 Å²	200	61.4 Å²	61.4	76%	0.755	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-40.8	179.1	-169.9	176.7	-174.5	161.5	3.4	113	S894 G899	S894-R896 PolarHBondContact O-N 3.39Å; S894-R896 VanDerWaalsContact O-N 3.11Å; R896-G899 PolarHBondContact O-N 3.13Å
897	S	84.2	Confident	78.4	Confident	56 Å²	56	65.3 Å²	65.3	39%	0.392	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-33.7	-179.4	57.1	0	0	0	0	112.3	R891 K892 Y893 S894 G899	R891-S897 WeakPolarHBondContact O-CB 3.3Å; K892-S897 WeakPolarHBondContact O-CB 3.43Å; K892-S897 PolarHBondContact O-OG 3.1Å; Y893-S897 PolarHBondContact N-OG 3.4Å; S894-S897 PolarHBondContact N-OG 3.06Å; S894-S897 PolarHBondContact O-N 3.42Å; S894-S897 PolarHBondContact O-OG 3.02Å; S894-S897 WeakPolarHBondContact OG-CB 3.33Å; S894-S897 PolarHBondContact OG-N 3Å; S894-S897 PolarHBondContact OG-OG 3.37Å; S897-G899 PolarHBondContact O-N 3.36Å
898	L	83.9	Confident	76.9	Confident	45 Å²	45	57.3 Å²	57.3	24%	0.236	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-11.5	170.2	-65.2	167.9	0	0	0	112.7	C875 I877 Y893 S894 L900 A963	C875-L898 VanDerWaalsContact SG-CD1 3.56Å; I877-L898 HydrophobicContact CD1-CD1 3.95Å; I877-L898 HydrophobicContact CG1-CD1 4.21Å; I877-L898 HydrophobicContact CG1-CD2 4.42Å; Y893-L898 HydrophobicContact CD1-CD2 4.49Å; Y893-L898 WeakPolarHBondContact O-CD1 3.48Å; S894-L898 WeakPolarHBondContact O-CB 3.44Å; S894-L898 VanDerWaalsContact O-CG 3.32Å; S894-L898 WeakPolarHBondContact O-CG 3.47Å; S894-L898 PolarHBondContact O-N 3.3Å; L898-L900 VanDerWaalsContact C-N 3.31Å; L898-L900 HydrophobicContact CB-CD1 4.09Å; L898-L900 HydrophobicContact CB-CG 4.06Å; L898-L900 HydrophobicContact CD1-CD1 4.29Å; L898-A963 HydrophobicContact CD1-CB 4.23Å
899	G	75.8	Confident	75	Confident	3 Å²	3	61.6 Å²	61.6	3%	0.031	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	13.8	178.1	0	0	0	0	0	114.7	I895 R896 S897 N901 R904	I895-G899 PolarHBondContact O-N 2.89Å; R896-G899 PolarHBondContact O-N 3.13Å; S897-G899 PolarHBondContact O-N 3.36Å; G899-N901 PolarHBondContact O-N 2.77Å; G899-N901 VanDerWaalsContact O-N 3.15Å; G899-R904 WeakPolarHBondContact O-CD 3.4Å; G899-R904 PolarHBondContact O-NH1 3.09Å
900	L	79.5	Confident	73.3	Confident	3 Å²	3	67.8 Å²	67.8	2%	0.016	33%	0.331	C	S	.	.			trans	-84.6	41.8	179.1	-60.6	175.1	0	0	0	111.9	F873 I895 L898 F956 E959 V960 A963	F873-L900 HydrophobicContact CD1-CD2 4.37Å; I895-L900 HydrophobicContact CG2-CB 3.94Å; I895-L900 WeakPolarHBondContact CG2-O 3.36Å; I895-L900 PolarHBondContact O-N 2.92Å; L898-L900 VanDerWaalsContact C-N 3.31Å; L898-L900 HydrophobicContact CB-CD1 4.09Å; L898-L900 HydrophobicContact CB-CG 4.06Å; L898-L900 HydrophobicContact CD1-CD1 4.29Å; L900-F956 VanDerWaalsContact C-CZ 3.46Å; L900-F956 HydrophobicContact CB-CZ 4.32Å; L900-F956 HydrophobicContact CD2-CE2 4.26Å; L900-E959 HydrophobicContact CD1-CB 4.49Å; L900-E959 HydrophobicContact CD2-CB 3.78Å; L900-V960 HydrophobicContact CB-CG2 4.17Å; L900-V960 HydrophobicContact CD1-CG2 4.4Å; L900-A963 HydrophobicContact CD1-CB 4.05Å
901	N	72.2	Confident	71.8	Confident	49 Å²	49	67.3 Å²	67.3	26%	0.262	33%	0.329	S	S	.	.			trans	-92.7	125	-178.5	-171.4	-19.8	0	0	0	111.1	G899 T903 R904	G899-N901 PolarHBondContact O-N 2.77Å; G899-N901 VanDerWaalsContact O-N 3.15Å; N901-T903 PolarHBondContact ND2-OG1 3.24Å; N901-T903 PolarHBondContact O-N 2.56Å; N901-T903 VanDerWaalsContact O-N 3.11Å; N901-T903 PolarHBondContact OD1-N 3.09Å; N901-T903 PolarHBondContact OD1-OG1 3.48Å; N901-T903 VanDerWaalsContact OD1-OG1 3.04Å; N901-R904 VanDerWaalsContact O-CB 3.31Å; N901-R904 WeakPolarHBondContact O-CB 3.27Å; N901-R904 PolarHBondContact O-N 3.06Å
902	L	69.5	Low	70.7	Confident	24 Å²	24	62.5 Å²	62.5	13%	0.126	31%	0.314	C	S	.	.	H	α-helix	trans	-52.7	-32.1	175.3	-158.7	89.9	0	0	0	113.2	R904 L905 T1262 C1265 L1266 F1269	L902-R904 PolarHBondContact O-N 3.27Å; L902-L905 HydrophobicContact CD1-CD1 4.19Å; L902-L905 WeakPolarHBondContact O-CB 3.49Å; L902-L905 PolarHBondContact O-N 3.44Å; L902-T1262 HydrophobicContact CB-CG2 4.44Å; L902-T1262 HydrophobicContact CD1-CG2 4.16Å; L902-C1265 HydrophobicContact CD1-CB 3.66Å; L902-C1265 HydrophobicContact CD2-CB 3.37Å; L902-C1265 HydrophobicContact CG-CB 4.16Å; L902-L1266 HydrophobicContact CD1-CD2 4.03Å; L902-L1266 HydrophobicContact CD1-CG 4Å; L902-F1269 HydrophobicContact CD1-CD2 4.33Å; L902-F1269 HydrophobicContact CD1-CE2 3.82Å; L902-F1269 HydrophobicContact CD2-CE2 3.93Å; L902-F1269 HydrophobicContact CD2-CZ 3.83Å; L902-F1269 HydrophobicContact CG-CE2 3.77Å; L902-F1269 HydrophobicContact CG-CZ 4.19Å
903	T	64.8	Low	69.7	Low	68 Å²	68	59.1 Å²	59.1	42%	0.417	30%	0.3	S	S	.	.	H	α-helix	trans	-62.3	-27.9	176.9	64.9	0	0	0	0	111.7	N901 L905 T906 S907	N901-T903 PolarHBondContact ND2-OG1 3.24Å; N901-T903 PolarHBondContact O-N 2.56Å; N901-T903 VanDerWaalsContact O-N 3.11Å; N901-T903 PolarHBondContact OD1-N 3.09Å; N901-T903 PolarHBondContact OD1-OG1 3.48Å; N901-T903 VanDerWaalsContact OD1-OG1 3.04Å; T903-L905 VanDerWaalsContact C-N 3.26Å; T903-L905 PolarHBondContact O-N 3.04Å; T903-T906 PolarHBondContact O-N 3.07Å; T903-S907 WeakPolarHBondContact O-CB 3.39Å; T903-S907 PolarHBondContact O-N 3.4Å; T903-S907 PolarHBondContact O-OG 3.38Å
904	R	64.3	Low	68.5	Low	158 Å²	158	64 Å²	64	60%	0.596	32%	0.324	S	S	*	.	H	α-helix	trans	-65.3	-30.7	174.9	-75.3	-177.8	168	-179.3	-3.2	112.7	G899 N901 L902 T906	G899-R904 WeakPolarHBondContact O-CD 3.4Å; G899-R904 PolarHBondContact O-NH1 3.09Å; N901-R904 VanDerWaalsContact O-CB 3.31Å; N901-R904 WeakPolarHBondContact O-CB 3.27Å; N901-R904 PolarHBondContact O-N 3.06Å; L902-R904 PolarHBondContact O-N 3.27Å; R904-T906 PolarHBondContact O-N 2.92Å
905	L	60.5	Low	67.3	Low	4 Å²	4	67.4 Å²	67.4	2%	0.021	34%	0.339	C	S	.	.	H	α-helix	trans	-69.1	-17.1	178.7	-61.6	173.5	0	0	0	113	L902 T903 Y948 L953 F956 L1266	L902-L905 HydrophobicContact CD1-CD1 4.19Å; L902-L905 WeakPolarHBondContact O-CB 3.49Å; L902-L905 PolarHBondContact O-N 3.44Å; T903-L905 VanDerWaalsContact C-N 3.26Å; T903-L905 PolarHBondContact O-N 3.04Å; L905-Y948 VanDerWaalsContact CA-CE2 3.43Å; L905-Y948 HydrophobicContact CB-CD2 4.18Å; L905-Y948 HydrophobicContact CB-CE2 4.05Å; L905-Y948 HydrophobicContact CD2-CD1 3.9Å; L905-Y948 HydrophobicContact CD2-CD2 3.79Å; L905-Y948 HydrophobicContact CD2-CE1 3.67Å; L905-Y948 HydrophobicContact CD2-CE2 3.6Å; L905-Y948 HydrophobicContact CD2-CG 3.94Å; L905-Y948 HydrophobicContact CG-CE2 4.43Å; L905-Y948 WeakPolarHBondContact O-CD2 3.43Å; L905-Y948 WeakPolarHBondContact O-CE2 3.04Å; L905-L953 HydrophobicContact CD1-CD2 4.24Å; L905-F956 HydrophobicContact CD1-CD1 4Å; L905-F956 HydrophobicContact CD1-CE1 3.93Å; L905-F956 HydrophobicContact CD1-CE2 4.46Å; L905-F956 HydrophobicContact CD1-CG 4.29Å; L905-F956 HydrophobicContact CD1-CZ 4.15Å; L905-F956 HydrophobicContact CD2-CD2 4.17Å; L905-F956 HydrophobicContact CD2-CE2 4.35Å; L905-F956 HydrophobicContact CD2-CG 4.46Å; L905-F956 HydrophobicContact CG-CE2 4.41Å; L905-F956 HydrophobicContact CG-CZ 4.42Å; L905-L1266 HydrophobicContact CD1-CD2 3.54Å
906	T	59.2	Low	65.9	Low	1 Å²	1	70.3 Å²	70.3	1%	0.006	36%	0.359	C	S	.	.	H	α-helix	trans	-132.6	3.2	-171.6	56.9	0	0	0	0	114.1	T903 R904 V937 V939 R944 F1269	T903-T906 PolarHBondContact O-N 3.07Å; R904-T906 PolarHBondContact O-N 2.92Å; T906-V937 HydrophobicContact CG2-CG2 4.2Å; T906-V939 HydrophobicContact CG2-CG2 3.78Å; T906-R944 VanDerWaalsContact O-CD 3.31Å; T906-R944 WeakPolarHBondContact O-CD 3.29Å; T906-R944 PolarHBondContact O-NH1 3.02Å; T906-F1269 HydrophobicContact CG2-CE2 4.08Å; T906-F1269 HydrophobicContact CG2-CZ 4.09Å
907	S	50.8	Low	65.3	Low	82 Å²	82	66.1 Å²	66.1	57%	0.573	35%	0.347	S	S	*	.			trans	-104.6	82.4	-177.5	-61.1	0	0	0	0	112.6	T903	T903-S907 WeakPolarHBondContact O-CB 3.39Å; T903-S907 PolarHBondContact O-N 3.4Å; T903-S907 PolarHBondContact O-OG 3.38Å
908	G	56.5	Low	64.3	Low	29 Å²	29	65.8 Å²	65.8	30%	0.299	34%	0.342	S	S	.	.			trans	-135	154.7	160.6	0	0	0	0	0	110.2	D910 C911	G908-D910 PolarHBondContact O-N 3.19Å; G908-C911 PolarHBondContact O-N 3.17Å
909	M	48.5	Very low	63.2	Low	182 Å²	182	70 Å²	70	90%	0.897	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-59.9	-33.8	171.6	-80.8	173.4	59.7	0	0	110.8	C911	M909-C911 PolarHBondContact O-N 3.44Å
910	D	53.2	Low	62.7	Low	133 Å²	133	75.4 Å²	75.4	71%	0.711	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-78.6	-2	-178.1	-47.7	-38.2	0	0	0	113.6	G908 Q947	G908-D910 PolarHBondContact O-N 3.19Å; D910-Q947 PolarHBondContact O-NE2 3.11Å
911	C	59.1	Low	61.6	Low	7 Å²	7	79 Å²	79	5%	0.047	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-98.8	-10.6	-177.2	-56.4	0	0	0	0	113.4	G908 M909 R944 H945 Q947	G908-C911 PolarHBondContact O-N 3.17Å; M909-C911 PolarHBondContact O-N 3.44Å; C911-R944 CarbonylContact O-C 3.38Å; C911-R944 WeakPolarHBondContact O-CA 3.49Å; C911-R944 WeakPolarHBondContact O-CB 3.46Å; C911-H945 PolarHBondContact O-N 3.02Å; C911-Q947 VanDerWaalsContact SG-CD 3.6Å
912	K	65.1	Low	61.1	Low	113 Å²	113	87 Å²	87	49%	0.491	45%	0.451	S	S	.	.	B	Isolated β-bridge	trans	-81	128.2	-175.2	-170.1	-177	176.4	-167.4	0	110.3	E914 T942	K912-E914 PolarHBondContact O-N 2.98Å; K912-T942 HydrophobicContact CG-CG2 4.27Å
913	H	67.2	Low	60.3	Low	28 Å²	28	89.3 Å²	89.3	13%	0.13	47%	0.466	C	S	.	.			trans	-76.1	119.4	171.1	-168.5	74.6	0	0	0	109.2	H926 L936 L943 H945	H913-H926 AromaticContact NE2-CG 3.98Å; H913-H926 AromaticContact NE2-ND1 3.11Å; H913-H926 PolarHBondContact NE2-ND1 2.94Å; H913-H926 VanDerWaalsContact NE2-ND1 3.11Å; H913-L936 HydrophobicContact CB-CD2 3.83Å; H913-L943 HydrophobicContact CB-CB 3.97Å; H913-L943 PolarHBondContact N-O 2.96Å; H913-H945 AromaticContact CG-NE2 3.94Å; H913-H945 AromaticContact ND1-CE1 3.58Å; H913-H945 AromaticContact ND1-NE2 3.1Å; H913-H945 PolarHBondContact ND1-NE2 3.29Å
914	E	64	Low	60	Low	134 Å²	134	91.1 Å²	91.1	63%	0.626	47%	0.471	S	S	*	.			trans	-110.7	133.5	-179.4	-165.4	162.6	-151	0	0	110.4	K912 A927	K912-E914 PolarHBondContact O-N 2.98Å; E914-A927 PolarHBondContact O-N 3.13Å
915	M	64.8	Low	59.2	Low	90 Å²	90	85.4 Å²	85.4	44%	0.443	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	118.2	169.2	-68.7	177.1	73.6	0	0	107.3	M924	M915-M924 HydrophobicContact CB-CE 3.95Å; M915-M924 HydrophobicContact CE-CB 4.15Å; M915-M924 HydrophobicContact CE-CE 4.01Å
916	S	57.3	Low	59.2	Low	67 Å²	67	89.9 Å²	89.9	47%	0.469	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	137.6	177.8	58.9	0	0	0	0	110.3	V918 V925	S916-V918 PolarHBondContact O-N 3.34Å; S916-V925 PolarHBondContact N-O 3.15Å; S916-V925 VanDerWaalsContact N-O 3.15Å; S916-V925 PolarHBondContact O-N 3.41Å
917	F	70.6	Confident	59.1	Low	112 Å²	112	90.5 Å²	90.5	49%	0.491	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	117	172.6	-172.9	-97.3	0	0	0	108.7	N919 R922 M924	F917-N919 VanDerWaalsContact CD1-OD1 3.32Å; F917-N919 WeakPolarHBondContact CD1-OD1 3.41Å; F917-N919 WeakPolarHBondContact CE1-OD1 3.32Å; F917-R922 HydrophobicContact CZ-CB 4.5Å; F917-M924 HydrophobicContact CB-SD 4.01Å; F917-M924 HydrophobicContact CD2-CG 4.25Å; F917-M924 HydrophobicContact CD2-SD 3.94Å; F917-M924 HydrophobicContact CG-SD 4.49Å
918	V	62.9	Low	59	Low	50 Å²	50	96 Å²	96	30%	0.303	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	106.2	178.6	177.6	0	0	0	0	108.5	S916 S920 T921 R922 T923 V925	S916-V918 PolarHBondContact O-N 3.34Å; V918-S920 PolarHBondContact O-N 2.74Å; V918-S920 VanDerWaalsContact O-N 3.14Å; V918-T921 PolarHBondContact O-N 3.4Å; V918-T921 VanDerWaalsContact O-N 3.1Å; V918-T921 PolarHBondContact O-OG1 3.18Å; V918-R922 PolarHBondContact O-N 2.89Å; V918-T923 PolarHBondContact N-O 3Å; V918-T923 VanDerWaalsContact N-O 3.1Å; V918-V925 HydrophobicContact CB-CG2 3.79Å; V918-V925 HydrophobicContact CG2-CB 3.82Å; V918-V925 HydrophobicContact CG2-CG2 3.44Å; V918-V925 VanDerWaalsContact CG2-CG2 3.44Å
919	N	60.5	Low	58.6	Low	133 Å²	133	103 Å²	103	71%	0.711	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-33.3	-178.4	-75.4	-18.1	0	0	0	113.1	F917 T921	F917-N919 VanDerWaalsContact CD1-OD1 3.32Å; F917-N919 WeakPolarHBondContact CD1-OD1 3.41Å; F917-N919 WeakPolarHBondContact CE1-OD1 3.32Å; N919-T921 VanDerWaalsContact C-N 3.31Å; N919-T921 PolarHBondContact O-N 3.08Å
920	S	67.1	Low	58.5	Low	116 Å²	116	95.1 Å²	95.1	81%	0.811	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-28.2	-178.8	-47.9	0	0	0	0	113.7	V918	V918-S920 PolarHBondContact O-N 2.74Å; V918-S920 VanDerWaalsContact O-N 3.14Å
921	T	55.9	Low	58.2	Low	79 Å²	79	93 Å²	93	49%	0.485	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-4.6	-177.6	53.6	0	0	0	0	113.1	V918 N919 T923	V918-T921 PolarHBondContact O-N 3.4Å; V918-T921 VanDerWaalsContact O-N 3.1Å; V918-T921 PolarHBondContact O-OG1 3.18Å; N919-T921 VanDerWaalsContact C-N 3.31Å; N919-T921 PolarHBondContact O-N 3.08Å; T921-T923 VanDerWaalsContact CB-OG1 3.28Å; T921-T923 WeakPolarHBondContact CB-OG1 3.17Å; T921-T923 WeakPolarHBondContact O-CG2 3.42Å; T921-T923 PolarHBondContact O-N 3.23Å; T921-T923 VanDerWaalsContact O-N 3.15Å; T921-T923 PolarHBondContact OG1-OG1 3.06Å
922	R	60.3	Low	58	Low	217 Å²	217	95 Å²	95	82%	0.819	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	33.5	-173.2	-65.5	-176.3	174.9	176.5	-1.2	112.9	F917 V918	F917-R922 HydrophobicContact CZ-CB 4.5Å; V918-R922 PolarHBondContact O-N 2.89Å
923	T	54.7	Low	57.6	Low	72 Å²	72	94.3 Å²	94.3	44%	0.442	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	146.6	-178	47.8	0	0	0	0	110.5	V918 T921 V925	V918-T923 PolarHBondContact N-O 3Å; V918-T923 VanDerWaalsContact N-O 3.1Å; T921-T923 VanDerWaalsContact CB-OG1 3.28Å; T921-T923 WeakPolarHBondContact CB-OG1 3.17Å; T921-T923 WeakPolarHBondContact O-CG2 3.42Å; T921-T923 PolarHBondContact O-N 3.23Å; T921-T923 VanDerWaalsContact O-N 3.15Å; T921-T923 PolarHBondContact OG1-OG1 3.06Å; T923-V925 PolarHBondContact O-N 3.49Å
924	M	57.3	Low	57.4	Low	106 Å²	106	96.6 Å²	96.6	52%	0.522	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	119.5	166.8	-70.1	-73.6	-80	0	0	107.9	M915 F917	M915-M924 HydrophobicContact CB-CE 3.95Å; M915-M924 HydrophobicContact CE-CB 4.15Å; M915-M924 HydrophobicContact CE-CE 4.01Å; F917-M924 HydrophobicContact CB-SD 4.01Å; F917-M924 HydrophobicContact CD2-CG 4.25Å; F917-M924 HydrophobicContact CD2-SD 3.94Å; F917-M924 HydrophobicContact CG-SD 4.49Å
925	V	47.3	Very low	57.6	Low	38 Å²	38	90.5 Å²	90.5	23%	0.23	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	121.1	-179	-170.7	0	0	0	0	108.4	S916 V918 T923	S916-V925 PolarHBondContact N-O 3.15Å; S916-V925 VanDerWaalsContact N-O 3.15Å; S916-V925 PolarHBondContact O-N 3.41Å; V918-V925 HydrophobicContact CB-CG2 3.79Å; V918-V925 HydrophobicContact CG2-CB 3.82Å; V918-V925 HydrophobicContact CG2-CG2 3.44Å; V918-V925 VanDerWaalsContact CG2-CG2 3.44Å; T923-V925 PolarHBondContact O-N 3.49Å
926	H	61.2	Low	58	Low	99 Å²	99	89.6 Å²	89.6	46%	0.458	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	151.2	170.5	-73.6	-91.1	0	0	0	110.3	H913 R928	H913-H926 AromaticContact NE2-CG 3.98Å; H913-H926 AromaticContact NE2-ND1 3.11Å; H913-H926 PolarHBondContact NE2-ND1 2.94Å; H913-H926 VanDerWaalsContact NE2-ND1 3.11Å; H926-R928 PolarHBondContact O-N 2.8Å
927	A	56.5	Low	58.5	Low	14 Å²	14	86.4 Å²	86.4	12%	0.116	44%	0.444	C	S	.	.			trans	-57.8	81	166.9	0	0	0	0	0	111.6	E914 Y929 C930	E914-A927 PolarHBondContact O-N 3.13Å; A927-Y929 HydrophobicContact CB-CD1 4.11Å; A927-Y929 HydrophobicContact CB-CE1 3.57Å; A927-Y929 PolarHBondContact O-N 3.07Å; A927-C930 PolarHBondContact O-N 2.89Å
928	R	48.6	Very low	58.4	Low	197 Å²	197	85.1 Å²	85.1	74%	0.743	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-67.5	-21.2	-177.1	-82.7	-174.4	173.4	173.6	-1.7	113	H926 C930 S931	H926-R928 PolarHBondContact O-N 2.8Å; R928-C930 PolarHBondContact O-N 3.31Å; R928-S931 PolarHBondContact O-N 3.06Å; R928-S931 VanDerWaalsContact O-N 3.12Å; R928-S931 PolarHBondContact O-OG 3.46Å
929	Y	48.6	Very low	58.5	Low	176 Å²	176	84 Å²	84	69%	0.69	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-65.9	-17	179.7	67.8	-90.3	0	0	0	113.7	A927	A927-Y929 HydrophobicContact CB-CD1 4.11Å; A927-Y929 HydrophobicContact CB-CE1 3.57Å; A927-Y929 PolarHBondContact O-N 3.07Å
930	C	47.2	Very low	58.5	Low	17 Å²	17	82.8 Å²	82.8	12%	0.115	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-110.9	2.7	174	-69.9	0	0	0	0	113.9	A927 R928 G932 L933	A927-C930 PolarHBondContact O-N 2.89Å; R928-C930 PolarHBondContact O-N 3.31Å; C930-G932 PolarHBondContact O-N 2.95Å; C930-L933 PolarHBondContact O-N 2.86Å
931	S	46.3	Very low	58.1	Low	88 Å²	88	80.4 Å²	80.4	62%	0.615	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	116.8	-179.3	60.2	0	0	0	0	110.2	R928	R928-S931 PolarHBondContact O-N 3.06Å; R928-S931 VanDerWaalsContact O-N 3.12Å; R928-S931 PolarHBondContact O-OG 3.46Å
932	G	53.7	Low	58.4	Low	49 Å²	49	79.1 Å²	79.1	51%	0.505	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	20.7	-174.5	0	0	0	0	0	115	C930 R1280	C930-G932 PolarHBondContact O-N 2.95Å; G932-R1280 PolarHBondContact O-NE 3.1Å; G932-R1280 PolarHBondContact O-NH1 3.42Å; G932-R1280 VanDerWaalsContact O-NH1 3.15Å; G932-R1280 PolarHBondContact O-NH2 3.14Å
933	L	57.4	Low	58.9	Low	99 Å²	99	73 Å²	73	52%	0.518	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-41.8	174.8	-117.1	142.9	0	0	0	112.7	C930 R1280	C930-L933 PolarHBondContact O-N 2.86Å; L933-R1280 VanDerWaalsContact CA-NH2 3.31Å; L933-R1280 PolarHBondContact O-NH2 3.38Å
934	F	63.7	Low	59.7	Low	76 Å²	76	72.2 Å²	72.2	33%	0.333	40%	0.401	S	S	.	.	S	Bend	trans	-131.4	137.9	176.6	-59.6	-73.8	0	0	0	111.4	H945 Q947	F934-H945 HydrophobicContact CB-CB 4.02Å; F934-Q947 HydrophobicContact CD1-CG 4.44Å
935	P	68.2	Low	60.3	Low	5 Å²	5	67.4 Å²	67.4	3%	0.032	38%	0.377	C	S	.	.			trans	-58.8	146.7	175.4	-19.4	30.3	0	0	0	112.3	H945 L946 V1272 Y1273 T1276	P935-H945 WeakPolarHBondContact O-CA 3.47Å; P935-L946 HydrophobicContact CB-CB 4.25Å; P935-L946 HydrophobicContact CB-CD2 4.45Å; P935-L946 PolarHBondContact O-N 3.42Å; P935-V1272 HydrophobicContact CB-CG1 3.93Å; P935-Y1273 HydrophobicContact CG-CD2 3.59Å; P935-Y1273 HydrophobicContact CG-CE2 4.13Å; P935-Y1273 HydrophobicContact CG-CG 4.1Å; P935-T1276 HydrophobicContact CB-CG2 4.39Å; P935-T1276 HydrophobicContact CG-CG2 4.28Å
936	L	71.8	Confident	61.5	Low	72 Å²	72	65.6 Å²	65.6	38%	0.377	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	120.7	176.8	-80.4	165	0	0	0	109.9	H913 R944	H913-L936 HydrophobicContact CB-CD2 3.83Å; L936-R944 WeakPolarHBondContact CA-O 3.42Å
937	V	69.2	Low	61.9	Low	0 Å²	0	64.8 Å²	64.8	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	140.8	178.3	-68.3	0	0	0	0	110.5	T906 V939 R944 L946 Y1268 F1269 V1272	T906-V937 HydrophobicContact CG2-CG2 4.2Å; V937-V939 HydrophobicContact CG2-CG2 4.15Å; V937-R944 PolarHBondContact N-O 2.7Å; V937-R944 PolarHBondContact O-N 2.76Å; V937-L946 HydrophobicContact CG1-CB 4.4Å; V937-L946 HydrophobicContact CG1-CD2 4.24Å; V937-L946 HydrophobicContact CG2-CB 4.25Å; V937-Y1268 HydrophobicContact CB-CE1 4.32Å; V937-Y1268 HydrophobicContact CG1-CE1 4.42Å; V937-F1269 HydrophobicContact CB-CD1 3.94Å; V937-F1269 HydrophobicContact CB-CE1 3.82Å; V937-F1269 HydrophobicContact CG1-CD1 3.63Å; V937-F1269 HydrophobicContact CG1-CE1 4.07Å; V937-F1269 HydrophobicContact CG1-CG 4.35Å; V937-F1269 HydrophobicContact CG2-CD1 4.33Å; V937-F1269 HydrophobicContact CG2-CE1 4.03Å; V937-F1269 HydrophobicContact CG2-CZ 4.44Å; V937-V1272 HydrophobicContact CG1-CB 4.15Å; V937-V1272 HydrophobicContact CG1-CG1 3.83Å; V937-V1272 HydrophobicContact CG1-CG2 4.42Å
938	N	68.3	Low	62.6	Low	85 Å²	85	66.8 Å²	66.8	46%	0.455	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	115	172.9	-174.9	-10.8	0	0	0	109.4	G941	N938-G941 WeakPolarHBondContact OD1-CA 3.38Å; N938-G941 PolarHBondContact OD1-N 3.08Å
939	V	64	Low	63.8	Low	27 Å²	27	60.1 Å²	60.1	16%	0.164	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	112.8	174.4	-175.7	0	0	0	0	108.9	T906 V937 G941 T942 F1269	T906-V939 HydrophobicContact CG2-CG2 3.78Å; V937-V939 HydrophobicContact CG2-CG2 4.15Å; V939-G941 PolarHBondContact O-N 2.8Å; V939-T942 PolarHBondContact N-O 2.88Å; V939-T942 VanDerWaalsContact N-O 3.07Å; V939-T942 PolarHBondContact O-N 3.15Å; V939-T942 VanDerWaalsContact O-N 3.1Å; V939-F1269 HydrophobicContact CG2-CE1 4.13Å; V939-F1269 HydrophobicContact CG2-CZ 3.77Å
940	A	61	Low	65.2	Low	107 Å²	107	53.4 Å²	53.4	88%	0.884	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	40.2	179.7	0	0	0	0	0	113.5
941	G	59.2	Low	66.6	Low	66 Å²	66	58.2 Å²	58.2	68%	0.68	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	1	177.3	0	0	0	0	0	115.3	N938 V939	N938-G941 WeakPolarHBondContact OD1-CA 3.38Å; N938-G941 PolarHBondContact OD1-N 3.08Å; V939-G941 PolarHBondContact O-N 2.8Å
942	T	61.2	Low	68.1	Low	52 Å²	52	56.1 Å²	56.1	32%	0.319	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	129.5	176.1	-50.1	0	0	0	0	110.6	K912 V939 R944	K912-T942 HydrophobicContact CG-CG2 4.27Å; V939-T942 PolarHBondContact N-O 2.88Å; V939-T942 VanDerWaalsContact N-O 3.07Å; V939-T942 PolarHBondContact O-N 3.15Å; V939-T942 VanDerWaalsContact O-N 3.1Å; T942-R944 HydrophobicContact CG2-CG 4.41Å
943	L	71.6	Confident	69.4	Low	87 Å²	87	53.8 Å²	53.8	46%	0.455	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	127.1	173.3	-73.6	173.8	0	0	0	111.1	H913	H913-L943 HydrophobicContact CB-CB 3.97Å; H913-L943 PolarHBondContact N-O 2.96Å
944	R	71.1	Confident	70.5	Confident	56 Å²	56	52.9 Å²	52.9	21%	0.211	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	143.4	-178.5	-64.8	175.6	175.8	-90.9	-6.7	111.5	T906 C911 L936 V937 T942	T906-R944 VanDerWaalsContact O-CD 3.31Å; T906-R944 WeakPolarHBondContact O-CD 3.29Å; T906-R944 PolarHBondContact O-NH1 3.02Å; C911-R944 CarbonylContact O-C 3.38Å; C911-R944 WeakPolarHBondContact O-CA 3.49Å; C911-R944 WeakPolarHBondContact O-CB 3.46Å; L936-R944 WeakPolarHBondContact CA-O 3.42Å; V937-R944 PolarHBondContact N-O 2.7Å; V937-R944 PolarHBondContact O-N 2.76Å; T942-R944 HydrophobicContact CG2-CG 4.41Å
945	H	69.9	Low	71.3	Confident	5 Å²	5	51.1 Å²	51.1	2%	0.023	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	122.6	172.3	-70	-71.1	0	0	0	110.1	C911 H913 F934 P935 Q947	C911-H945 PolarHBondContact O-N 3.02Å; H913-H945 AromaticContact CG-NE2 3.94Å; H913-H945 AromaticContact ND1-CE1 3.58Å; H913-H945 AromaticContact ND1-NE2 3.1Å; H913-H945 PolarHBondContact ND1-NE2 3.29Å; F934-H945 HydrophobicContact CB-CB 4.02Å; P935-H945 WeakPolarHBondContact O-CA 3.47Å; H945-Q947 PolarHBondContact O-N 3.28Å
946	L	73.2	Confident	72	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.297	C	S	.	.			trans	-80.1	106.1	175.4	-173.2	66.4	0	0	0	109.2	P935 V937 L953 F1269 Y1273	P935-L946 HydrophobicContact CB-CB 4.25Å; P935-L946 HydrophobicContact CB-CD2 4.45Å; P935-L946 PolarHBondContact O-N 3.42Å; V937-L946 HydrophobicContact CG1-CB 4.4Å; V937-L946 HydrophobicContact CG1-CD2 4.24Å; V937-L946 HydrophobicContact CG2-CB 4.25Å; L946-L953 HydrophobicContact CD1-CD2 4.48Å; L946-L953 HydrophobicContact CD2-CD1 4Å; L946-F1269 HydrophobicContact CD1-CD2 4.2Å; L946-F1269 HydrophobicContact CD1-CG 4.44Å; L946-F1269 HydrophobicContact CD2-CB 4.07Å; L946-Y1273 HydrophobicContact CD2-CD2 4.22Å
947	Q	69.3	Low	72.5	Confident	83 Å²	83	50.1 Å²	50.1	39%	0.388	29%	0.292	S	S	.	.			trans	-90.1	-5.1	-175.2	-68.6	179.8	-13.3	0	0	114.1	D910 C911 F934 H945	D910-Q947 PolarHBondContact O-NE2 3.11Å; C911-Q947 VanDerWaalsContact SG-CD 3.6Å; F934-Q947 HydrophobicContact CD1-CG 4.44Å; H945-Q947 PolarHBondContact O-N 3.28Å
948	Y	70.9	Confident	73.2	Confident	55 Å²	55	55.9 Å²	55.9	22%	0.216	32%	0.319	C	S	.	.	S	Bend	trans	-83.1	146	-178.6	-75.1	-92.6	0	0	0	112	L905 E952 Y1273	L905-Y948 VanDerWaalsContact CA-CE2 3.43Å; L905-Y948 HydrophobicContact CB-CD2 4.18Å; L905-Y948 HydrophobicContact CB-CE2 4.05Å; L905-Y948 HydrophobicContact CD2-CD1 3.9Å; L905-Y948 HydrophobicContact CD2-CD2 3.79Å; L905-Y948 HydrophobicContact CD2-CE1 3.67Å; L905-Y948 HydrophobicContact CD2-CE2 3.6Å; L905-Y948 HydrophobicContact CD2-CG 3.94Å; L905-Y948 HydrophobicContact CG-CE2 4.43Å; L905-Y948 WeakPolarHBondContact O-CD2 3.43Å; L905-Y948 WeakPolarHBondContact O-CE2 3.04Å; Y948-E952 VanDerWaalsContact CA-OE2 3.28Å; Y948-E952 WeakPolarHBondContact CA-OE2 3.32Å; Y948-E952 HydrophobicContact CD1-CB 3.84Å; Y948-E952 HydrophobicContact CD1-CG 4.46Å; Y948-E952 VanDerWaalsContact CD1-OE2 3.32Å; Y948-E952 WeakPolarHBondContact CD1-OE2 3.44Å; Y948-Y1273 VanDerWaalsContact O-CE2 3.25Å; Y948-Y1273 WeakPolarHBondContact O-CE2 3.32Å
949	T	73.9	Confident	74	Confident	58 Å²	58	52.5 Å²	52.5	36%	0.356	30%	0.3	S	S	.	.			trans	-75.4	162.8	170.3	70	0	0	0	0	111	D951 E952 L953	T949-D951 VanDerWaalsContact C-N 3.3Å; T949-D951 PolarHBondContact O-N 3.22Å; T949-E952 PolarHBondContact N-OE2 2.86Å; T949-E952 PolarHBondContact O-N 2.88Å; T949-E952 VanDerWaalsContact OG1-CG 3.28Å; T949-E952 WeakPolarHBondContact OG1-CG 3.33Å; T949-E952 PolarHBondContact OG1-N 3.47Å; T949-L953 WeakPolarHBondContact O-CG 3.49Å; T949-L953 PolarHBondContact O-N 3.41Å; T949-L953 VanDerWaalsContact O-N 3.08Å
950	L	78.7	Confident	75.1	Confident	35 Å²	35	51.2 Å²	51.2	18%	0.183	29%	0.293	C	S	.	.	H	α-helix	trans	-58.6	-44.2	175.5	-173.1	65.6	0	0	0	111.2	E952 L953 E954 Q1270 Y1273	L950-E952 VanDerWaalsContact C-N 3.27Å; L950-E952 PolarHBondContact O-N 3.32Å; L950-L953 WeakPolarHBondContact O-CB 3.25Å; L950-L953 PolarHBondContact O-N 3.27Å; L950-L953 VanDerWaalsContact O-N 3.07Å; L950-E954 WeakPolarHBondContact O-CG 3.46Å; L950-E954 PolarHBondContact O-N 2.94Å; L950-Q1270 HydrophobicContact CD1-CB 4.28Å; L950-Q1270 HydrophobicContact CD1-CG 4.1Å; L950-Y1273 HydrophobicContact CB-CD1 4.15Å; L950-Y1273 HydrophobicContact CB-CE1 4.02Å; L950-Y1273 HydrophobicContact CD1-CD1 4.42Å
951	D	76.3	Confident	76.2	Confident	118 Å²	118	47.5 Å²	47.5	63%	0.631	26%	0.261	S	S	*	.	H	α-helix	trans	-60.1	-36.2	178	-50.4	-21.9	0	0	0	112.2	T949 A955	T949-D951 VanDerWaalsContact C-N 3.3Å; T949-D951 PolarHBondContact O-N 3.22Å; D951-A955 WeakPolarHBondContact O-CB 3.29Å; D951-A955 PolarHBondContact O-N 3.23Å
952	E	77.7	Confident	77.5	Confident	44 Å²	44	49.6 Å²	49.6	21%	0.206	25%	0.252	C	S	.	.	H	α-helix	trans	-71.6	-35	176.2	-70.3	172.7	150.3	0	0	112.5	I870 Y948 T949 L950 F956	I870-E952 WeakPolarHBondContact CD1-OE1 3.37Å; Y948-E952 VanDerWaalsContact CA-OE2 3.28Å; Y948-E952 WeakPolarHBondContact CA-OE2 3.32Å; Y948-E952 HydrophobicContact CD1-CB 3.84Å; Y948-E952 HydrophobicContact CD1-CG 4.46Å; Y948-E952 VanDerWaalsContact CD1-OE2 3.32Å; Y948-E952 WeakPolarHBondContact CD1-OE2 3.44Å; T949-E952 PolarHBondContact N-OE2 2.86Å; T949-E952 PolarHBondContact O-N 2.88Å; T949-E952 VanDerWaalsContact OG1-CG 3.28Å; T949-E952 WeakPolarHBondContact OG1-CG 3.33Å; T949-E952 PolarHBondContact OG1-N 3.47Å; L950-E952 VanDerWaalsContact C-N 3.27Å; L950-E952 PolarHBondContact O-N 3.32Å; E952-F956 WeakPolarHBondContact O-CB 3.45Å; E952-F956 PolarHBondContact O-N 3.3Å
953	L	80.2	Confident	78.8	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-68.7	-41.6	174.1	-67.1	170.4	0	0	0	111.3	L905 L946 T949 L950 F956 E957 L1266 F1269 Q1270	L905-L953 HydrophobicContact CD1-CD2 4.24Å; L946-L953 HydrophobicContact CD1-CD2 4.48Å; L946-L953 HydrophobicContact CD2-CD1 4Å; T949-L953 WeakPolarHBondContact O-CG 3.49Å; T949-L953 PolarHBondContact O-N 3.41Å; T949-L953 VanDerWaalsContact O-N 3.08Å; L950-L953 WeakPolarHBondContact O-CB 3.25Å; L950-L953 PolarHBondContact O-N 3.27Å; L950-L953 VanDerWaalsContact O-N 3.07Å; L953-F956 PolarHBondContact O-N 3.4Å; L953-E957 WeakPolarHBondContact O-CB 2.95Å; L953-E957 PolarHBondContact O-N 2.82Å; L953-L1266 HydrophobicContact CD2-CD2 4.36Å; L953-F1269 HydrophobicContact CD1-CB 4.48Å; L953-Q1270 HydrophobicContact CB-CG 4.16Å; L953-Q1270 HydrophobicContact CD1-CG 4.42Å
954	E	80.8	Confident	79.6	Confident	79 Å²	79	43 Å²	43	37%	0.369	22%	0.216	S	C	.	.	H	α-helix	trans	-64.1	-43.1	174.7	-71.8	177	-176.5	0	0	111.5	L950 F956 E957 Q958	L950-E954 WeakPolarHBondContact O-CG 3.46Å; L950-E954 PolarHBondContact O-N 2.94Å; E954-F956 VanDerWaalsContact C-N 3.33Å; E954-F956 PolarHBondContact O-N 3.5Å; E954-E957 WeakPolarHBondContact O-CB 3.37Å; E954-E957 PolarHBondContact O-N 3.4Å; E954-Q958 WeakPolarHBondContact O-CG 3.01Å; E954-Q958 PolarHBondContact O-N 3.26Å
955	A	79.8	Confident	80.3	Confident	39 Å²	39	45.6 Å²	45.6	32%	0.322	23%	0.228	S	C	.	.	H	α-helix	trans	-62.4	-39.7	174.1	0	0	0	0	0	112.1	D951 Q958 E959	D951-A955 WeakPolarHBondContact O-CB 3.29Å; D951-A955 PolarHBondContact O-N 3.23Å; A955-Q958 PolarHBondContact O-N 3.05Å; A955-E959 WeakPolarHBondContact O-CG 3.24Å; A955-E959 PolarHBondContact O-N 3.16Å
956	F	83.2	Confident	81.2	Confident	1 Å²	1	46.8 Å²	46.8	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-66.9	-39.9	176.1	-171.4	-85.4	0	0	0	112	F873 L900 L905 E952 L953 E954 E959 V960 T1262 L1266	F873-F956 HydrophobicContact CD1-CD2 4.06Å; F873-F956 HydrophobicContact CD1-CE2 4.46Å; F873-F956 AromaticContact CE1-CD2 3.57Å; F873-F956 HydrophobicContact CE1-CD2 3.57Å; F873-F956 AromaticContact CE1-CE2 3.91Å; F873-F956 HydrophobicContact CE1-CE2 3.91Å; F873-F956 HydrophobicContact CE2-CD2 4.17Å; F873-F956 AromaticContact CZ-CD2 3.64Å; F873-F956 HydrophobicContact CZ-CD2 3.64Å; F873-F956 HydrophobicContact CZ-CE2 4.32Å; L900-F956 VanDerWaalsContact C-CZ 3.46Å; L900-F956 HydrophobicContact CB-CZ 4.32Å; L900-F956 HydrophobicContact CD2-CE2 4.26Å; L905-F956 HydrophobicContact CD1-CD1 4Å; L905-F956 HydrophobicContact CD1-CE1 3.93Å; L905-F956 HydrophobicContact CD1-CE2 4.46Å; L905-F956 HydrophobicContact CD1-CG 4.29Å; L905-F956 HydrophobicContact CD1-CZ 4.15Å; L905-F956 HydrophobicContact CD2-CD2 4.17Å; L905-F956 HydrophobicContact CD2-CE2 4.35Å; L905-F956 HydrophobicContact CD2-CG 4.46Å; L905-F956 HydrophobicContact CG-CE2 4.41Å; L905-F956 HydrophobicContact CG-CZ 4.42Å; E952-F956 WeakPolarHBondContact O-CB 3.45Å; E952-F956 PolarHBondContact O-N 3.3Å; L953-F956 PolarHBondContact O-N 3.4Å; E954-F956 VanDerWaalsContact C-N 3.33Å; E954-F956 PolarHBondContact O-N 3.5Å; F956-E959 PolarHBondContact O-N 2.83Å; F956-V960 HydrophobicContact CD1-CG2 3.99Å; F956-V960 HydrophobicContact CE1-CG2 3.73Å; F956-V960 HydrophobicContact CZ-CG2 4.43Å; F956-V960 WeakPolarHBondContact O-CG2 3.26Å; F956-V960 PolarHBondContact O-N 2.88Å; F956-T1262 HydrophobicContact CE1-CG2 4.1Å; F956-L1266 HydrophobicContact CD1-CD1 3.48Å; F956-L1266 VanDerWaalsContact CD1-CD1 3.48Å; F956-L1266 HydrophobicContact CD1-CD2 3.48Å; F956-L1266 VanDerWaalsContact CD1-CD2 3.48Å; F956-L1266 HydrophobicContact CD1-CG 4.05Å; F956-L1266 HydrophobicContact CE1-CD1 3.84Å; F956-L1266 HydrophobicContact CE1-CD2 3.92Å; F956-L1266 HydrophobicContact CE1-CG 4.31Å; F956-L1266 HydrophobicContact CG-CD2 4.41Å
957	E	83.9	Confident	82	Confident	56 Å²	56	46.8 Å²	46.8	26%	0.262	23%	0.232	S	C	.	.	H	α-helix	trans	-58.9	-47.3	173.6	-175.8	-176.6	-176.9	0	0	111.7	L953 E954 E959 V960 A961 L1263 L1266 Q1270	L953-E957 WeakPolarHBondContact O-CB 2.95Å; L953-E957 PolarHBondContact O-N 2.82Å; E954-E957 WeakPolarHBondContact O-CB 3.37Å; E954-E957 PolarHBondContact O-N 3.4Å; E957-E959 VanDerWaalsContact C-N 3.28Å; E957-E959 PolarHBondContact O-N 2.73Å; E957-V960 PolarHBondContact O-N 2.84Å; E957-A961 WeakPolarHBondContact O-CB 3.36Å; E957-A961 PolarHBondContact O-N 3.27Å; E957-L1263 HydrophobicContact CG-CD2 3.83Å; E957-L1266 HydrophobicContact CB-CD1 4.22Å; E957-Q1270 PolarHBondContact OE2-NE2 3.4Å
958	Q	83.2	Confident	82.8	Confident	120 Å²	120	43 Å²	43	56%	0.561	22%	0.215	S	C	*	.	H	α-helix	trans	-58.3	-39.6	177.4	-72.4	178.5	7.3	0	0	112.4	E954 A955 A961 K962	E954-Q958 WeakPolarHBondContact O-CG 3.01Å; E954-Q958 PolarHBondContact O-N 3.26Å; A955-Q958 PolarHBondContact O-N 3.05Å; Q958-A961 PolarHBondContact O-N 2.82Å; Q958-K962 VanDerWaalsContact O-CG 3.3Å; Q958-K962 WeakPolarHBondContact O-CG 3.48Å; Q958-K962 PolarHBondContact O-N 3.26Å
959	E	84.5	Confident	83.6	Confident	14 Å²	14	45 Å²	45	7%	0.065	23%	0.225	C	C	.	.	H	α-helix	trans	-71.4	-37	178.8	-66.9	-68.7	118.5	0	0	112.6	F873 C875 L900 A955 F956 E957 K962 A963	F873-E959 HydrophobicContact CB-CB 4.44Å; F873-E959 HydrophobicContact CB-CG 3.72Å; C875-E959 WeakPolarHBondContact CB-OE2 3.46Å; C875-E959 PolarHBondContact N-OE2 3.43Å; L900-E959 HydrophobicContact CD1-CB 4.49Å; L900-E959 HydrophobicContact CD2-CB 3.78Å; A955-E959 WeakPolarHBondContact O-CG 3.24Å; A955-E959 PolarHBondContact O-N 3.16Å; F956-E959 PolarHBondContact O-N 2.83Å; E957-E959 VanDerWaalsContact C-N 3.28Å; E957-E959 PolarHBondContact O-N 2.73Å; E959-K962 PolarHBondContact O-N 2.99Å; E959-K962 WeakPolarHBondContact OE1-CD 3.33Å; E959-K962 IonicContact OE1-NZ 3.54Å; E959-K962 PolarHBondContact OE1-NZ 3.4Å; E959-A963 PolarHBondContact O-N 3.49Å
960	V	86.8	Confident	84.4	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-66	-40.4	172.1	177.2	0	0	0	0	110.8	L900 F956 E957 A963 L964 A1259 T1262 L1263 L1266	L900-V960 HydrophobicContact CB-CG2 4.17Å; L900-V960 HydrophobicContact CD1-CG2 4.4Å; F956-V960 HydrophobicContact CD1-CG2 3.99Å; F956-V960 HydrophobicContact CE1-CG2 3.73Å; F956-V960 HydrophobicContact CZ-CG2 4.43Å; F956-V960 WeakPolarHBondContact O-CG2 3.26Å; F956-V960 PolarHBondContact O-N 2.88Å; E957-V960 PolarHBondContact O-N 2.84Å; V960-A963 PolarHBondContact O-N 2.85Å; V960-L964 WeakPolarHBondContact O-CB 3.42Å; V960-L964 PolarHBondContact O-N 3.06Å; V960-A1259 HydrophobicContact CG1-CB 4.41Å; V960-T1262 HydrophobicContact CG1-CG2 4.32Å; V960-T1262 HydrophobicContact CG2-CG2 4.03Å; V960-L1263 HydrophobicContact CB-CD2 3.91Å; V960-L1263 HydrophobicContact CB-CG 4.48Å; V960-L1263 HydrophobicContact CG1-CD1 4.44Å; V960-L1263 HydrophobicContact CG1-CD2 3.7Å; V960-L1263 HydrophobicContact CG1-CG 3.71Å; V960-L1266 HydrophobicContact CG2-CD1 4.28Å
961	A	85.5	Confident	84.8	Confident	28 Å²	28	40.6 Å²	40.6	23%	0.231	20%	0.199	C	C	.	.	H	α-helix	trans	-63.8	-40	176.3	0	0	0	0	0	112.3	E957 Q958 L964 K965	E957-A961 WeakPolarHBondContact O-CB 3.36Å; E957-A961 PolarHBondContact O-N 3.27Å; Q958-A961 PolarHBondContact O-N 2.82Å; A961-L964 PolarHBondContact O-N 3.45Å; A961-K965 PolarHBondContact O-N 3.47Å
962	K	85.4	Confident	85.2	Confident	111 Å²	111	38.8 Å²	38.8	48%	0.483	19%	0.187	S	C	.	.	H	α-helix	trans	-61.1	-45.9	172.3	-74.2	172.8	-169	170.8	0	112	Q958 E959 K965 R966	Q958-K962 VanDerWaalsContact O-CG 3.3Å; Q958-K962 WeakPolarHBondContact O-CG 3.48Å; Q958-K962 PolarHBondContact O-N 3.26Å; E959-K962 PolarHBondContact O-N 2.99Å; E959-K962 WeakPolarHBondContact OE1-CD 3.33Å; E959-K962 IonicContact OE1-NZ 3.54Å; E959-K962 PolarHBondContact OE1-NZ 3.4Å; K962-K965 WeakPolarHBondContact O-CB 3.43Å; K962-K965 PolarHBondContact O-N 2.87Å; K962-R966 PolarHBondContact O-N 3.33Å
963	A	88.3	Confident	85.7	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.008	19%	0.188	C	C	.	.	H	α-helix	trans	-62.2	-43.9	176.9	0	0	0	0	0	111.6	I877 L898 L900 E959 V960 K965 R966 Y967	I877-A963 HydrophobicContact CD1-CB 4.22Å; L898-A963 HydrophobicContact CD1-CB 4.23Å; L900-A963 HydrophobicContact CD1-CB 4.05Å; E959-A963 PolarHBondContact O-N 3.49Å; V960-A963 PolarHBondContact O-N 2.85Å; A963-K965 PolarHBondContact O-N 3.27Å; A963-R966 WeakPolarHBondContact O-CB 3.22Å; A963-R966 PolarHBondContact O-N 3.15Å; A963-R966 VanDerWaalsContact O-N 3.09Å; A963-Y967 HydrophobicContact CB-CE2 4.27Å; A963-Y967 WeakPolarHBondContact O-CD2 3.42Å; A963-Y967 PolarHBondContact O-N 2.74Å
964	L	88.2	Confident	86	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.4	-47.1	176.2	176.3	59.9	0	0	0	112.1	V960 A961 R966 Y967 I968 F1221 M1224 I1256 A1259 Y1260 L1263	V960-L964 WeakPolarHBondContact O-CB 3.42Å; V960-L964 PolarHBondContact O-N 3.06Å; A961-L964 PolarHBondContact O-N 3.45Å; L964-R966 PolarHBondContact O-N 3.06Å; L964-Y967 PolarHBondContact O-N 3.24Å; L964-Y967 VanDerWaalsContact O-N 3.11Å; L964-I968 HydrophobicContact CD1-CD1 4.25Å; L964-I968 HydrophobicContact CD1-CG1 4.35Å; L964-I968 HydrophobicContact CG-CD1 4.19Å; L964-I968 WeakPolarHBondContact O-CG1 3.44Å; L964-I968 PolarHBondContact O-N 3.46Å; L964-F1221 HydrophobicContact CB-CE2 4.45Å; L964-F1221 HydrophobicContact CD2-CD2 4.2Å; L964-F1221 HydrophobicContact CD2-CE2 4.23Å; L964-F1221 HydrophobicContact CG-CD2 4.27Å; L964-F1221 HydrophobicContact CG-CE2 4.17Å; L964-M1224 HydrophobicContact CD2-CE 4.37Å; L964-I1256 HydrophobicContact CD1-CB 4.5Å; L964-I1256 HydrophobicContact CD1-CG2 3.98Å; L964-A1259 HydrophobicContact CB-CB 4.13Å; L964-A1259 HydrophobicContact CD1-CB 4Å; L964-Y1260 HydrophobicContact CD1-CD2 3.87Å; L964-Y1260 HydrophobicContact CD1-CE2 3.56Å; L964-Y1260 HydrophobicContact CD2-CD2 4.16Å; L964-Y1260 HydrophobicContact CD2-CE1 4.3Å; L964-Y1260 HydrophobicContact CD2-CE2 3.77Å; L964-Y1260 HydrophobicContact CG-CE2 4.25Å; L964-L1263 HydrophobicContact CD2-CD1 3.76Å
965	K	86.1	Confident	86	Confident	109 Å²	109	36.4 Å²	36.4	47%	0.474	17%	0.174	S	C	.	.	H	α-helix	trans	-52.7	-39.3	175.2	-165	174.3	-177.8	172.4	0	111.8	A961 K962 A963 K969 F1221	A961-K965 PolarHBondContact O-N 3.47Å; K962-K965 WeakPolarHBondContact O-CB 3.43Å; K962-K965 PolarHBondContact O-N 2.87Å; A963-K965 PolarHBondContact O-N 3.27Å; K965-K969 PolarHBondContact O-N 3.41Å; K965-K969 VanDerWaalsContact O-N 3.13Å; K965-F1221 HydrophobicContact CB-CE1 4.01Å; K965-F1221 HydrophobicContact CB-CE2 3.91Å; K965-F1221 HydrophobicContact CB-CZ 3.43Å; K965-F1221 VanDerWaalsContact CB-CZ 3.43Å; K965-F1221 HydrophobicContact CD-CE1 3.76Å; K965-F1221 HydrophobicContact CD-CZ 3.92Å; K965-F1221 HydrophobicContact CG-CD1 4.5Å; K965-F1221 HydrophobicContact CG-CE1 3.68Å; K965-F1221 HydrophobicContact CG-CE2 4.44Å; K965-F1221 HydrophobicContact CG-CZ 3.68Å
966	R	89.3	Confident	86.2	Confident	31 Å²	31	37.5 Å²	37.5	12%	0.117	18%	0.177	C	C	.	.	H	α-helix	trans	-75.5	-34.5	-179.3	-129.9	59.5	-174.4	77.9	-30.6	113.5	I877 T879 E881 K962 A963 L964 I968 K969 R970	I877-R966 HydrophobicContact CB-CB 4.45Å; I877-R966 HydrophobicContact CB-CG 3.96Å; I877-R966 HydrophobicContact CD1-CB 3.83Å; I877-R966 HydrophobicContact CD1-CG 4.29Å; I877-R966 HydrophobicContact CG2-CB 4.23Å; I877-R966 HydrophobicContact CG2-CG 3.61Å; T879-R966 VanDerWaalsContact C-NH2 3.25Å; T879-R966 PolarHBondContact O-NH2 3.36Å; E881-R966 IonicContact OE1-NH1 3.6Å; E881-R966 PolarHBondContact OE1-NH1 3.33Å; K962-R966 PolarHBondContact O-N 3.33Å; A963-R966 WeakPolarHBondContact O-CB 3.22Å; A963-R966 PolarHBondContact O-N 3.15Å; A963-R966 VanDerWaalsContact O-N 3.09Å; L964-R966 PolarHBondContact O-N 3.06Å; R966-I968 VanDerWaalsContact C-N 3.34Å; R966-K969 PolarHBondContact O-N 3.37Å; R966-R970 WeakPolarHBondContact O-CB 3.48Å; R966-R970 PolarHBondContact O-N 3.06Å
967	Y	89.8	Confident	86.2	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.1	-37.9	171	-56.2	-28.4	0	0	0	112.4	I877 W889 L890 Y893 S894 I895 A963 L964 R970 Y971 E1255 A1259	I877-Y967 HydrophobicContact CD1-CE1 4.41Å; W889-Y967 AromaticContact CH2-CD1 3.56Å; W889-Y967 HydrophobicContact CH2-CD1 3.56Å; W889-Y967 AromaticContact CH2-CE1 3.71Å; W889-Y967 HydrophobicContact CH2-CE1 3.71Å; W889-Y967 AromaticContact CZ3-CD1 3.44Å; W889-Y967 HydrophobicContact CZ3-CD1 3.44Å; W889-Y967 VanDerWaalsContact CZ3-CD1 3.44Å; W889-Y967 AromaticContact CZ3-CE1 3.5Å; W889-Y967 HydrophobicContact CZ3-CE1 3.5Å; W889-Y967 VanDerWaalsContact CZ3-CE1 3.5Å; L890-Y967 HydrophobicContact CD2-CE1 4.31Å; Y893-Y967 VanDerWaalsContact O-CE1 3.28Å; Y893-Y967 WeakPolarHBondContact O-CE1 3.36Å; Y893-Y967 PolarHBondContact O-OH 2.98Å; S894-Y967 VanDerWaalsContact C-OH 3.27Å; S894-Y967 WeakPolarHBondContact CA-OH 3.49Å; I895-Y967 HydrophobicContact CD1-CE2 4.33Å; I895-Y967 HydrophobicContact CG1-CE2 3.91Å; I895-Y967 PolarHBondContact N-OH 2.86Å; I895-Y967 VanDerWaalsContact N-OH 3.08Å; A963-Y967 HydrophobicContact CB-CE2 4.27Å; A963-Y967 WeakPolarHBondContact O-CD2 3.42Å; A963-Y967 PolarHBondContact O-N 2.74Å; L964-Y967 PolarHBondContact O-N 3.24Å; L964-Y967 VanDerWaalsContact O-N 3.11Å; Y967-R970 PolarHBondContact O-N 3.18Å; Y967-Y971 WeakPolarHBondContact O-CB 3.24Å; Y967-Y971 PolarHBondContact O-N 3.17Å; Y967-E1255 HydrophobicContact CD2-CB 4.42Å; Y967-E1255 HydrophobicContact CD2-CG 3.98Å; Y967-E1255 HydrophobicContact CE1-CG 4.28Å; Y967-E1255 HydrophobicContact CE2-CB 4.41Å; Y967-E1255 HydrophobicContact CE2-CG 3.51Å; Y967-A1259 HydrophobicContact CD2-CB 4.4Å; Y967-A1259 HydrophobicContact CE2-CB 4.38Å
968	I	87.1	Confident	86.4	Confident	4 Å²	4	36.5 Å²	36.5	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-64.2	-47.3	175.4	-64.1	170.1	0	0	0	110.4	L964 R966 R970 Y971 E972 L1214 L1217 L1218 F1221	L964-I968 HydrophobicContact CD1-CD1 4.25Å; L964-I968 HydrophobicContact CD1-CG1 4.35Å; L964-I968 HydrophobicContact CG-CD1 4.19Å; L964-I968 WeakPolarHBondContact O-CG1 3.44Å; L964-I968 PolarHBondContact O-N 3.46Å; R966-I968 VanDerWaalsContact C-N 3.34Å; I968-R970 VanDerWaalsContact C-N 3.34Å; I968-R970 PolarHBondContact O-N 2.89Å; I968-Y971 WeakPolarHBondContact O-CB 3.42Å; I968-Y971 PolarHBondContact O-N 2.81Å; I968-Y971 VanDerWaalsContact O-N 3.11Å; I968-E972 PolarHBondContact O-N 3.34Å; I968-L1214 HydrophobicContact CG2-CD1 4.25Å; I968-L1217 HydrophobicContact CD1-CB 4.33Å; I968-L1217 HydrophobicContact CG1-CB 4.39Å; I968-L1217 HydrophobicContact CG1-CD1 4.34Å; I968-L1217 HydrophobicContact CG1-CD2 4.5Å; I968-L1217 HydrophobicContact CG2-CB 4.34Å; I968-L1218 HydrophobicContact CG2-CD2 4.03Å; I968-F1221 HydrophobicContact CD1-CB 4.08Å; I968-F1221 HydrophobicContact CD1-CD2 3.74Å; I968-F1221 HydrophobicContact CD1-CG 4.09Å
969	K	87.4	Confident	86.5	Confident	96 Å²	96	32.1 Å²	32.1	42%	0.417	16%	0.16	S	C	.	.	H	α-helix	trans	-59.1	-41.9	174.2	-74.9	-167.1	170.7	-158.8	0	113	K965 R966 Y971 E972 W973	K965-K969 PolarHBondContact O-N 3.41Å; K965-K969 VanDerWaalsContact O-N 3.13Å; R966-K969 PolarHBondContact O-N 3.37Å; K969-Y971 VanDerWaalsContact C-N 3.3Å; K969-Y971 PolarHBondContact O-N 2.64Å; K969-E972 PolarHBondContact O-N 3.42Å; K969-W973 WeakPolarHBondContact O-CB 3.49Å; K969-W973 PolarHBondContact O-N 3.17Å
970	R	89.8	Confident	86.4	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.7	-38.6	175.2	-174.5	68.3	178.8	178.3	-0.3	111.4	E881 E882 L884 W889 R966 Y967 I968 W973 L974 I1252	E881-R970 WeakPolarHBondContact OE2-CD 3.3Å; E881-R970 IonicContact OE2-CZ 3.79Å; E881-R970 IonicContact OE2-NE 2.7Å; E881-R970 IonicContact OE2-NH1 2.96Å; E881-R970 PolarHBondContact OE2-NH1 3.06Å; E882-R970 PolarHBondContact O-NH1 3.41Å; E882-R970 PolarHBondContact O-NH2 2.86Å; L884-R970 PolarHBondContact O-NH2 3.41Å; W889-R970 HydrophobicContact CD2-CG 4.46Å; W889-R970 HydrophobicContact CE3-CG 4.48Å; W889-R970 HydrophobicContact CH2-CB 4.49Å; R966-R970 WeakPolarHBondContact O-CB 3.48Å; R966-R970 PolarHBondContact O-N 3.06Å; Y967-R970 PolarHBondContact O-N 3.18Å; I968-R970 VanDerWaalsContact C-N 3.34Å; I968-R970 PolarHBondContact O-N 2.89Å; R970-W973 VanDerWaalsContact NH1-CE3 3.29Å; R970-W973 VanDerWaalsContact NH2-CZ3 3.31Å; R970-W973 PolarHBondContact O-N 2.87Å; R970-L974 HydrophobicContact CG-CD1 4.23Å; R970-L974 VanDerWaalsContact O-CG 3.3Å; R970-L974 WeakPolarHBondContact O-CG 3.42Å; R970-L974 PolarHBondContact O-N 2.81Å; R970-I1252 HydrophobicContact CG-CD1 3.98Å; R970-I1252 HydrophobicContact CG-CG1 4.34Å
971	Y	87.5	Confident	86	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.8	-46.2	177	-177.8	-88.6	0	0	0	112	Y967 I968 K969 W973 L974 T975 F1213 L1214 L1217 I1244 I1249 I1252 Q1253 I1256	Y967-Y971 WeakPolarHBondContact O-CB 3.24Å; Y967-Y971 PolarHBondContact O-N 3.17Å; I968-Y971 WeakPolarHBondContact O-CB 3.42Å; I968-Y971 PolarHBondContact O-N 2.81Å; I968-Y971 VanDerWaalsContact O-N 3.11Å; K969-Y971 VanDerWaalsContact C-N 3.3Å; K969-Y971 PolarHBondContact O-N 2.64Å; Y971-W973 VanDerWaalsContact C-N 3.34Å; Y971-W973 PolarHBondContact O-N 3Å; Y971-L974 PolarHBondContact O-N 3.44Å; Y971-T975 HydrophobicContact CD1-CG2 4.34Å; Y971-T975 HydrophobicContact CE1-CG2 3.95Å; Y971-T975 HydrophobicContact CE2-CG2 4.47Å; Y971-T975 WeakPolarHBondContact O-CB 3.4Å; Y971-T975 WeakPolarHBondContact O-CG2 3.47Å; Y971-T975 PolarHBondContact O-N 3.15Å; Y971-T975 VanDerWaalsContact O-N 3.07Å; Y971-T975 PolarHBondContact O-OG1 3.04Å; Y971-F1213 AromaticContact CE1-CD1 3.76Å; Y971-F1213 HydrophobicContact CE1-CD1 3.76Å; Y971-F1213 HydrophobicContact CE1-CE1 4.4Å; Y971-F1213 HydrophobicContact CE2-CD1 4.03Å; Y971-F1213 HydrophobicContact CE2-CE1 4.09Å; Y971-F1213 AromaticContact CZ-CD1 3.47Å; Y971-F1213 VanDerWaalsContact CZ-CD1 3.47Å; Y971-F1213 WeakPolarHBondContact OH-CD1 3.23Å; Y971-L1214 HydrophobicContact CD1-CD1 4.14Å; Y971-L1214 HydrophobicContact CE1-CB 4.26Å; Y971-L1217 HydrophobicContact CD1-CD1 4.46Å; Y971-I1244 WeakPolarHBondContact OH-CD1 3.48Å; Y971-I1249 HydrophobicContact CD2-CG2 4.16Å; Y971-I1249 HydrophobicContact CE2-CG2 3.45Å; Y971-I1249 VanDerWaalsContact CE2-CG2 3.45Å; Y971-I1252 HydrophobicContact CD2-CG2 4.34Å; Y971-Q1253 HydrophobicContact CD2-CG 4.01Å; Y971-Q1253 HydrophobicContact CE2-CG 3.46Å; Y971-Q1253 VanDerWaalsContact CE2-CG 3.46Å; Y971-Q1253 PolarHBondContact OH-NE2 2.82Å; Y971-I1256 HydrophobicContact CD2-CD1 4.49Å; Y971-I1256 HydrophobicContact CG-CD1 4.44Å
972	E	85.2	Confident	86.1	Confident	81 Å²	81	30.9 Å²	30.9	38%	0.379	15%	0.149	S	C	.	.	H	α-helix	trans	-56.8	-46.5	172.5	179.6	176.6	-163.5	0	0	111.3	I968 K969 L974 T975 T976 L1214	I968-E972 PolarHBondContact O-N 3.34Å; K969-E972 PolarHBondContact O-N 3.42Å; E972-L974 PolarHBondContact O-N 2.86Å; E972-T975 WeakPolarHBondContact CA-OG1 3.2Å; E972-T975 PolarHBondContact O-N 2.92Å; E972-T975 VanDerWaalsContact O-N 3.16Å; E972-T975 PolarHBondContact O-OG1 3.12Å; E972-T975 VanDerWaalsContact O-OG1 3.11Å; E972-T976 VanDerWaalsContact O-CG2 3.3Å; E972-T976 WeakPolarHBondContact O-CG2 3.4Å; E972-T976 PolarHBondContact O-N 3.49Å; E972-T976 PolarHBondContact O-OG1 3.04Å; E972-L1214 HydrophobicContact CB-CD1 3.9Å; E972-L1214 HydrophobicContact CB-CD2 4.04Å; E972-L1214 HydrophobicContact CG-CD1 4.48Å; E972-L1214 HydrophobicContact CG-CD2 3.9Å
973	W	86.9	Confident	86	Confident	58 Å²	58	25.8 Å²	25.8	22%	0.22	13%	0.128	C	C	.	.	H	α-helix	trans	-62.6	-39.7	177.3	-177.5	72.2	0	0	0	113.4	E881 K969 R970 Y971 T975 T976 R979 L984	E881-W973 HydrophobicContact CB-CD2 3.84Å; E881-W973 HydrophobicContact CB-CE3 4.27Å; E881-W973 HydrophobicContact CB-CG 4.24Å; E881-W973 HydrophobicContact CB-CH2 4.37Å; E881-W973 HydrophobicContact CB-CZ2 3.98Å; E881-W973 HydrophobicContact CG-CB 4.22Å; E881-W973 HydrophobicContact CG-CD2 3.9Å; E881-W973 HydrophobicContact CG-CE3 4.48Å; E881-W973 HydrophobicContact CG-CG 3.79Å; K969-W973 WeakPolarHBondContact O-CB 3.49Å; K969-W973 PolarHBondContact O-N 3.17Å; R970-W973 VanDerWaalsContact NH1-CE3 3.29Å; R970-W973 VanDerWaalsContact NH2-CZ3 3.31Å; R970-W973 PolarHBondContact O-N 2.87Å; Y971-W973 VanDerWaalsContact C-N 3.34Å; Y971-W973 PolarHBondContact O-N 3Å; W973-T975 VanDerWaalsContact C-N 3.28Å; W973-T975 PolarHBondContact O-N 3.07Å; W973-T976 PolarHBondContact O-OG1 3.36Å; W973-R979 PolarHBondContact O-NE 3.49Å; W973-L984 HydrophobicContact CH2-CD1 3.54Å; W973-L984 HydrophobicContact CH2-CD2 4.08Å; W973-L984 HydrophobicContact CH2-CG 4.43Å; W973-L984 HydrophobicContact CZ2-CD1 4.32Å; W973-L984 HydrophobicContact CZ3-CD1 4.17Å; W973-L984 HydrophobicContact CZ3-CD2 4.23Å
974	L	86.8	Confident	86.1	Confident	4 Å²	4	26 Å²	26	2%	0.021	13%	0.129	C	C	.	.	H	α-helix	trans	-72.1	-19.8	177	-72.3	170.1	0	0	0	113.6	S886 R970 Y971 E972 R979 K980 I1252	S886-L974 VanDerWaalsContact OG-CD1 3.3Å; S886-L974 WeakPolarHBondContact OG-CD1 3.47Å; R970-L974 HydrophobicContact CG-CD1 4.23Å; R970-L974 VanDerWaalsContact O-CG 3.3Å; R970-L974 WeakPolarHBondContact O-CG 3.42Å; R970-L974 PolarHBondContact O-N 2.81Å; Y971-L974 PolarHBondContact O-N 3.44Å; E972-L974 PolarHBondContact O-N 2.86Å; L974-R979 CarbonylContact O-C 3.57Å; L974-K980 PolarHBondContact O-N 3.38Å; L974-I1252 HydrophobicContact CD1-CG1 3.83Å
975	T	81.6	Confident	86.2	Confident	10 Å²	10	26 Å²	26	6%	0.061	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	4.7	-178.1	49.8	0	0	0	0	113.6	Y971 E972 W973 T1210 I1249	Y971-T975 HydrophobicContact CD1-CG2 4.34Å; Y971-T975 HydrophobicContact CE1-CG2 3.95Å; Y971-T975 HydrophobicContact CE2-CG2 4.47Å; Y971-T975 WeakPolarHBondContact O-CB 3.4Å; Y971-T975 WeakPolarHBondContact O-CG2 3.47Å; Y971-T975 PolarHBondContact O-N 3.15Å; Y971-T975 VanDerWaalsContact O-N 3.07Å; Y971-T975 PolarHBondContact O-OG1 3.04Å; E972-T975 WeakPolarHBondContact CA-OG1 3.2Å; E972-T975 PolarHBondContact O-N 2.92Å; E972-T975 VanDerWaalsContact O-N 3.16Å; E972-T975 PolarHBondContact O-OG1 3.12Å; E972-T975 VanDerWaalsContact O-OG1 3.11Å; W973-T975 VanDerWaalsContact C-N 3.28Å; W973-T975 PolarHBondContact O-N 3.07Å; T975-T1210 HydrophobicContact CG2-CG2 3.98Å; T975-I1249 HydrophobicContact CG2-CD1 4.21Å
976	T	82.7	Confident	86.2	Confident	62 Å²	62	22 Å²	22	38%	0.38	12%	0.115	S	C	.	.	S	Bend	trans	-107.7	145.2	177.4	48.5	0	0	0	0	112.2	E972 W973 R979	E972-T976 VanDerWaalsContact O-CG2 3.3Å; E972-T976 WeakPolarHBondContact O-CG2 3.4Å; E972-T976 PolarHBondContact O-N 3.49Å; E972-T976 PolarHBondContact O-OG1 3.04Å; W973-T976 PolarHBondContact O-OG1 3.36Å; T976-R979 PolarHBondContact O-NH2 3.34Å; T976-R979 PolarHBondContact OG1-NH2 3.27Å
977	G	83	Confident	86.2	Confident	36 Å²	36	21.4 Å²	21.4	37%	0.371	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	-150.4	176.8	0	0	0	0	0	114.1	R979 K980	G977-R979 VanDerWaalsContact C-N 3.25Å; G977-R979 PolarHBondContact O-N 3.44Å; G977-K980 WeakPolarHBondContact O-CB 3.49Å; G977-K980 PolarHBondContact O-N 3.49Å
978	S	88.4	Confident	86.1	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-27.2	179.3	61.5	0	0	0	0	113.8	K980 Y981 F982 E1017 Q1018	S978-K980 PolarHBondContact O-N 3.31Å; S978-Y981 PolarHBondContact O-N 2.87Å; S978-Y981 VanDerWaalsContact O-N 3.12Å; S978-F982 WeakPolarHBondContact O-CD2 3.36Å; S978-F982 PolarHBondContact O-N 2.88Å; S978-E1017 VanDerWaalsContact CB-OE2 3.3Å; S978-E1017 WeakPolarHBondContact CB-OE2 3.44Å; S978-E1017 PolarHBondContact N-OE2 2.92Å; S978-E1017 PolarHBondContact OG-OE2 3.03Å; S978-Q1018 PolarHBondContact OG-NE2 2.83Å
979	R	87	Confident	86.2	Confident	28 Å²	28	25.5 Å²	25.5	11%	0.106	13%	0.132	C	C	.	.	H	α-helix	trans	-60.3	-31.6	179	-68.4	177.3	-69.9	-80.1	-11.9	112.4	W973 L974 T976 G977 Y981 G983 L984 E1017	W973-R979 PolarHBondContact O-NE 3.49Å; L974-R979 CarbonylContact O-C 3.57Å; T976-R979 PolarHBondContact O-NH2 3.34Å; T976-R979 PolarHBondContact OG1-NH2 3.27Å; G977-R979 VanDerWaalsContact C-N 3.25Å; G977-R979 PolarHBondContact O-N 3.44Å; R979-Y981 PolarHBondContact O-N 2.92Å; R979-G983 WeakPolarHBondContact O-CA 3.3Å; R979-G983 PolarHBondContact O-N 2.99Å; R979-L984 HydrophobicContact CG-CD1 4.44Å; R979-E1017 IonicContact CZ-OE1 3.64Å; R979-E1017 IonicContact NH1-OE1 3.89Å; R979-E1017 PolarHBondContact NH1-OE1 2.97Å; R979-E1017 IonicContact NH2-OE1 3.03Å; R979-E1017 PolarHBondContact NH2-OE1 3.18Å
980	K	81.4	Confident	86.5	Confident	13 Å²	13	21 Å²	21	6%	0.057	11%	0.112	C	C	.	.	H	α-helix	trans	-58	-37.8	177	-175.6	-174.2	168.2	-151.7	0	111.8	L974 G977 S978 L1204 M1206	L974-K980 PolarHBondContact O-N 3.38Å; G977-K980 WeakPolarHBondContact O-CB 3.49Å; G977-K980 PolarHBondContact O-N 3.49Å; S978-K980 PolarHBondContact O-N 3.31Å; K980-L1204 VanDerWaalsContact CE-O 3.31Å; K980-L1204 WeakPolarHBondContact CE-O 3.47Å; K980-L1204 HydrophobicContact CG-CB 4.2Å; K980-L1204 HydrophobicContact CG-CD1 3.79Å; K980-L1204 PolarHBondContact NZ-O 3.25Å; K980-M1206 PolarHBondContact NZ-SD 2.88Å
981	Y	79.2	Confident	86.7	Confident	3 Å²	3	21 Å²	21	1%	0.012	11%	0.112	C	C	.	.	H	α-helix	trans	-97.5	-49.2	-173	-65.6	-91.3	0	0	0	112.6	S978 R979 Y1010	S978-Y981 PolarHBondContact O-N 2.87Å; S978-Y981 VanDerWaalsContact O-N 3.12Å; R979-Y981 PolarHBondContact O-N 2.92Å; Y981-Y1010 AromaticContact CD1-CD2 3.75Å; Y981-Y1010 HydrophobicContact CD1-CD2 3.75Å; Y981-Y1010 AromaticContact CD1-CE2 3.93Å; Y981-Y1010 HydrophobicContact CD1-CE2 3.93Å; Y981-Y1010 HydrophobicContact CD1-CG 4.28Å; Y981-Y1010 AromaticContact CD2-CD1 3.64Å; Y981-Y1010 HydrophobicContact CD2-CD1 3.64Å; Y981-Y1010 AromaticContact CD2-CD2 3.97Å; Y981-Y1010 HydrophobicContact CD2-CD2 3.97Å; Y981-Y1010 AromaticContact CD2-CE1 3.9Å; Y981-Y1010 HydrophobicContact CD2-CE1 3.9Å; Y981-Y1010 HydrophobicContact CD2-CE2 4.14Å; Y981-Y1010 AromaticContact CD2-CG 3.73Å; Y981-Y1010 HydrophobicContact CD2-CG 3.73Å; Y981-Y1010 AromaticContact CE1-CD2 3.66Å; Y981-Y1010 HydrophobicContact CE1-CD2 3.66Å; Y981-Y1010 AromaticContact CE1-CE2 3.32Å; Y981-Y1010 HydrophobicContact CE1-CE2 3.32Å; Y981-Y1010 HydrophobicContact CE1-CG 4.41Å; Y981-Y1010 AromaticContact CE1-CZ 3.88Å; Y981-Y1010 AromaticContact CE2-CD1 3.57Å; Y981-Y1010 HydrophobicContact CE2-CD1 3.57Å; Y981-Y1010 AromaticContact CE2-CD2 3.91Å; Y981-Y1010 HydrophobicContact CE2-CD2 3.91Å; Y981-Y1010 AromaticContact CE2-CE1 3.3Å; Y981-Y1010 HydrophobicContact CE2-CE1 3.3Å; Y981-Y1010 AromaticContact CE2-CE2 3.59Å; Y981-Y1010 HydrophobicContact CE2-CE2 3.59Å; Y981-Y1010 AromaticContact CE2-CG 3.91Å; Y981-Y1010 HydrophobicContact CE2-CG 3.91Å; Y981-Y1010 AromaticContact CE2-CZ 3.33Å; Y981-Y1010 HydrophobicContact CG-CD1 4.34Å; Y981-Y1010 AromaticContact CG-CD2 3.92Å; Y981-Y1010 HydrophobicContact CG-CD2 3.92Å; Y981-Y1010 HydrophobicContact CG-CE2 4.32Å; Y981-Y1010 AromaticContact CG-CG 3.96Å; Y981-Y1010 HydrophobicContact CG-CG 3.96Å; Y981-Y1010 AromaticContact CZ-CD2 3.77Å; Y981-Y1010 AromaticContact CZ-CE1 3.71Å; Y981-Y1010 AromaticContact CZ-CE2 3.15Å; Y981-Y1010 AromaticContact CZ-CZ 3.17Å; Y981-Y1010 WeakPolarHBondContact OH-CE2 3.48Å; Y981-Y1010 PolarHBondContact OH-OH 3.32Å
982	F	86.3	Confident	87	Confident	2 Å²	2	21 Å²	21	1%	0.009	11%	0.113	C	C	.	.	H	α-helix	trans	-96.9	-7.2	-172.9	-53.1	-74	0	0	0	113.7	S978 Y1010 L1011 L1014 I1106 I1177 H1201	S978-F982 WeakPolarHBondContact O-CD2 3.36Å; S978-F982 PolarHBondContact O-N 2.88Å; F982-Y1010 VanDerWaalsContact CE2-C 3.48Å; F982-Y1010 VanDerWaalsContact CE2-O 3.31Å; F982-Y1010 WeakPolarHBondContact CE2-O 3.19Å; F982-L1011 HydrophobicContact CE1-CD2 3.96Å; F982-L1011 HydrophobicContact CE1-CG 4.41Å; F982-L1011 HydrophobicContact CZ-CD2 3.87Å; F982-L1011 HydrophobicContact CZ-CG 3.99Å; F982-L1014 HydrophobicContact CB-CD1 4.19Å; F982-L1014 HydrophobicContact CB-CD2 4.39Å; F982-L1014 HydrophobicContact CD1-CD2 4.31Å; F982-L1014 HydrophobicContact CD2-CB 3.9Å; F982-L1014 HydrophobicContact CD2-CD1 3.98Å; F982-L1014 HydrophobicContact CD2-CD2 3.89Å; F982-L1014 HydrophobicContact CD2-CG 4.14Å; F982-L1014 HydrophobicContact CE2-CB 3.92Å; F982-L1014 HydrophobicContact CE2-CD2 4.24Å; F982-L1014 HydrophobicContact CG-CD1 4.3Å; F982-L1014 HydrophobicContact CG-CD2 3.93Å; F982-I1106 HydrophobicContact CD1-CD1 4.12Å; F982-I1106 HydrophobicContact CD1-CG1 4.41Å; F982-I1106 HydrophobicContact CE1-CD1 3.6Å; F982-I1106 HydrophobicContact CE1-CG1 4.19Å; F982-I1177 HydrophobicContact CD1-CG1 4.25Å; F982-H1201 PolarHBondContact O-CD2 3.34Å
983	G	84.6	Confident	87.5	Confident	3 Å²	3	17.1 Å²	17.1	3%	0.031	10%	0.095	C	C	.	.			trans	73.1	-174.3	-165.6	0	0	0	0	0	112.1	R979 Q1018	R979-G983 WeakPolarHBondContact O-CA 3.3Å; R979-G983 PolarHBondContact O-N 2.99Å; G983-Q1018 PolarHBondContact O-NE2 2.95Å; G983-Q1018 VanDerWaalsContact O-NE2 3.12Å
984	L	88.8	Confident	87.8	Confident	5 Å²	5	14.4 Å²	14.4	3%	0.026	8%	0.084	C	C	.	.			trans	-83.1	121.1	176.4	-177.7	69.5	0	0	0	110.2	R883 L884 W973 R979 C986 R1199	R883-L984 HydrophobicContact CG-CD1 4.44Å; R883-L984 HydrophobicContact CG-CD2 4.47Å; L884-L984 WeakPolarHBondContact O-CD2 3.46Å; W973-L984 HydrophobicContact CH2-CD1 3.54Å; W973-L984 HydrophobicContact CH2-CD2 4.08Å; W973-L984 HydrophobicContact CH2-CG 4.43Å; W973-L984 HydrophobicContact CZ2-CD1 4.32Å; W973-L984 HydrophobicContact CZ3-CD1 4.17Å; W973-L984 HydrophobicContact CZ3-CD2 4.23Å; R979-L984 HydrophobicContact CG-CD1 4.44Å; L984-C986 PolarHBondContact O-N 3.48Å; L984-R1199 PolarHBondContact O-NH1 3.07Å; L984-R1199 PolarHBondContact O-NH2 3.08Å
985	I	90.7	Very high	88.1	Confident	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.083	C	C	.	.			trans	-75.6	111.4	173.3	-50.7	-57.9	0	0	0	109	R883 I990 L1014 Q1018 L1019 Y1104	R883-I985 VanDerWaalsContact CZ-O 3.25Å; R883-I985 PolarHBondContact NE-O 3.36Å; R883-I985 PolarHBondContact NH2-O 3.21Å; I985-I990 HydrophobicContact CG2-CD1 4.05Å; I985-I990 HydrophobicContact CG2-CG2 3.99Å; I985-L1014 HydrophobicContact CD1-CD1 4.23Å; I985-L1014 HydrophobicContact CG1-CD1 3.8Å; I985-Q1018 HydrophobicContact CG1-CB 4.36Å; I985-L1019 HydrophobicContact CG1-CD2 4.35Å; I985-L1019 HydrophobicContact CG2-CD2 4.28Å; I985-Y1104 HydrophobicContact CD1-CD1 3.69Å; I985-Y1104 HydrophobicContact CD1-CD2 4.35Å; I985-Y1104 HydrophobicContact CD1-CE1 3.15Å; I985-Y1104 HydrophobicContact CD1-CE2 3.89Å; I985-Y1104 HydrophobicContact CD1-CG 4.27Å; I985-Y1104 HydrophobicContact CG2-CE2 4.33Å
986	C	86.8	Confident	88.6	Confident	27 Å²	27	14 Å²	14	18%	0.182	8%	0.082	C	C	.	.			trans	-100.2	-19.5	-178.9	-73.4	0	0	0	0	112.8	T885 L984	T885-C986 HydrophobicContact CG2-CB 4.3Å; T885-C986 VanDerWaalsContact CG2-SG 3.59Å; L984-C986 PolarHBondContact O-N 3.48Å
987	E	88.6	Confident	88.9	Confident	18 Å²	18	11.1 Å²	11.1	8%	0.084	6%	0.064	C	C	.	.			trans	-75.5	148.4	-177.9	-61.9	73.9	-158.3	0	0	111	R883 I990 S1100 Y1104 H1175	R883-E987 PolarHBondContact NH2-O 2.65Å; E987-I990 HydrophobicContact CB-CG2 3.59Å; E987-S1100 WeakPolarHBondContact CA-OG 3.39Å; E987-Y1104 PolarHBondContact OE2-OH 3.34Å; E987-H1175 IonicContact OE1-CE1 4Å; E987-H1175 IonicContact OE1-NE2 3.56Å; E987-H1175 PolarHBondContact OE1-NE2 3.15Å; E987-H1175 VanDerWaalsContact OE1-NE2 3.14Å
988	E	88.2	Confident	89.1	Confident	90 Å²	90	11.3 Å²	11.3	42%	0.421	7%	0.066	S	C	.	.	S	Bend	trans	-88	-20.8	177.4	-64.2	174	160.6	0	0	111.8	V1024 F1025 M1099 S1100	E988-V1024 WeakPolarHBondContact O-CG1 3.49Å; E988-F1025 PolarHBondContact O-N 2.71Å; E988-M1099 HydrophobicContact CB-CB 4.35Å; E988-M1099 HydrophobicContact CB-CE 3.48Å; E988-M1099 VanDerWaalsContact CB-CE 3.48Å; E988-M1099 WeakPolarHBondContact OE2-CA 3.32Å; E988-M1099 WeakPolarHBondContact OE2-CB 3.28Å; E988-M1099 WeakPolarHBondContact OE2-CG 3.13Å; E988-S1100 PolarHBondContact N-O 3.26Å; E988-S1100 PolarHBondContact N-OG 3.39Å
989	C	90.1	Very high	89	Confident	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	118.3	179.1	176.6	0	0	0	0	110.3	F1025 L1080 M1083 S1100 K1101 G1102	C989-F1025 CarbonylContact C-O 3.15Å; C989-F1025 VanDerWaalsContact CA-O 3.26Å; C989-F1025 WeakPolarHBondContact CA-O 3.25Å; C989-F1025 HydrophobicContact CB-CB 4.39Å; C989-L1080 WeakPolarHBondContact SG-CD2 3.45Å; C989-M1083 HydrophobicContact CB-CE 4.28Å; C989-M1083 WeakPolarHBondContact SG-CE 3.35Å; C989-S1100 PolarHBondContact N-O 2.9Å; C989-K1101 HydrophobicContact CB-CG 4.23Å; C989-K1101 CarbonylContact O-C 3.51Å; C989-K1101 VanDerWaalsContact O-CA 3.22Å; C989-K1101 WeakPolarHBondContact O-CA 3.08Å; C989-G1102 PolarHBondContact O-N 2.84Å
990	I	93.2	Very high	89	Confident	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	156.8	-176.2	67.1	167.9	0	0	0	113.5	I985 E987 I992 L1019 V1024 F1025 F1026 N1027 V1043 G1102 Y1104	I985-I990 HydrophobicContact CG2-CD1 4.05Å; I985-I990 HydrophobicContact CG2-CG2 3.99Å; E987-I990 HydrophobicContact CB-CG2 3.59Å; I990-I992 HydrophobicContact CD1-CD1 4.05Å; I990-I992 HydrophobicContact CD1-CG1 3.93Å; I990-L1019 HydrophobicContact CD1-CD1 4.29Å; I990-L1019 HydrophobicContact CD1-CD2 3.52Å; I990-L1019 HydrophobicContact CG1-CD2 4.47Å; I990-V1024 HydrophobicContact CD1-CG1 4.4Å; I990-V1024 HydrophobicContact CG1-CG1 4.01Å; I990-V1024 HydrophobicContact CG2-CG1 4.41Å; I990-F1025 PolarHBondContact N-O 2.76Å; I990-F1026 HydrophobicContact CD1-CB 4.28Å; I990-F1026 HydrophobicContact CG1-CB 3.69Å; I990-F1026 VanDerWaalsContact O-CA 3.28Å; I990-F1026 WeakPolarHBondContact O-CA 3.32Å; I990-N1027 PolarHBondContact O-N 2.89Å; I990-V1043 WeakPolarHBondContact O-CG1 3.35Å; I990-G1102 VanDerWaalsContact CA-O 3.24Å; I990-G1102 WeakPolarHBondContact CA-O 3.47Å; I990-Y1104 HydrophobicContact CB-CD2 4.14Å; I990-Y1104 HydrophobicContact CB-CE2 4.31Å; I990-Y1104 HydrophobicContact CD1-CD2 4.4Å; I990-Y1104 HydrophobicContact CG2-CD2 4.09Å; I990-Y1104 HydrophobicContact CG2-CE2 3.74Å
991	V	93.5	Very high	89.3	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	127.4	162.9	179.8	0	0	0	0	108.8	L993 N1027 V1029 V1043 H1079 L1080 G1102 I1103 Y1104	V991-L993 HydrophobicContact CG1-CD2 3.92Å; V991-N1027 WeakPolarHBondContact CA-O 3.25Å; V991-N1027 HydrophobicContact CG2-CB 4.43Å; V991-V1029 HydrophobicContact CG1-CG2 4.16Å; V991-V1043 HydrophobicContact CG2-CG1 3.82Å; V991-H1079 HydrophobicContact CG2-CB 3.92Å; V991-L1080 HydrophobicContact CG2-CD2 3.82Å; V991-L1080 HydrophobicContact CG2-CG 3.76Å; V991-G1102 PolarHBondContact N-O 3.24Å; V991-G1102 VanDerWaalsContact N-O 3.09Å; V991-I1103 WeakPolarHBondContact O-CA 2.92Å; V991-Y1104 PolarHBondContact O-N 3.18Å
992	I	95.1	Very high	89.6	Confident	1 Å²	1	21.4 Å²	21.4	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	117.3	179	-53.4	174.2	0	0	0	108.3	I990 I994 L1011 L1014 L1019 N1027 M1028 V1029 Y1104 I1106	I990-I992 HydrophobicContact CD1-CD1 4.05Å; I990-I992 HydrophobicContact CD1-CG1 3.93Å; I992-I994 HydrophobicContact CG2-CG1 3.97Å; I992-L1011 HydrophobicContact CG2-CD2 4.22Å; I992-L1014 HydrophobicContact CD1-CD2 3.8Å; I992-L1019 HydrophobicContact CD1-CD1 4.2Å; I992-N1027 PolarHBondContact N-O 3.42Å; I992-M1028 HydrophobicContact CB-CG 4.2Å; I992-M1028 HydrophobicContact CD1-CG 4.46Å; I992-M1028 CarbonylContact O-C 3.59Å; I992-M1028 VanDerWaalsContact O-CA 3.28Å; I992-M1028 WeakPolarHBondContact O-CA 3.11Å; I992-V1029 PolarHBondContact O-N 3.46Å; I992-Y1104 CarbonylContact C-O 3.59Å; I992-Y1104 WeakPolarHBondContact CA-O 3.48Å; I992-I1106 HydrophobicContact CG2-CD1 3.66Å
993	L	94.7	Very high	89.6	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	117.6	175.7	-53.2	178.8	0	0	0	108.5	V991 V1029 F1031 A1072 I1073 I1103 Y1104 L1105 I1106	V991-L993 HydrophobicContact CG1-CD2 3.92Å; L993-V1029 CarbonylContact C-O 3.05Å; L993-V1029 VanDerWaalsContact CA-O 3.26Å; L993-V1029 WeakPolarHBondContact CA-O 3.42Å; L993-V1029 HydrophobicContact CD2-CB 3.76Å; L993-V1029 HydrophobicContact CD2-CG1 4.49Å; L993-V1029 HydrophobicContact CD2-CG2 4.21Å; L993-F1031 HydrophobicContact CB-CD1 4.13Å; L993-F1031 HydrophobicContact CB-CE1 3.86Å; L993-A1072 HydrophobicContact CD1-CB 4.26Å; L993-A1072 WeakPolarHBondContact CD1-O 2.84Å; L993-A1072 WeakPolarHBondContact CD2-O 3.21Å; L993-I1073 HydrophobicContact CD1-CB 4.48Å; L993-I1073 HydrophobicContact CD1-CG1 3.95Å; L993-I1103 HydrophobicContact CD1-CG2 3.54Å; L993-I1103 HydrophobicContact CG-CG2 3.89Å; L993-Y1104 PolarHBondContact N-O 3.08Å; L993-L1105 HydrophobicContact CB-CD1 3.82Å; L993-L1105 HydrophobicContact CD1-CD1 4.22Å; L993-I1106 PolarHBondContact O-N 3.11Å
994	I	94.2	Very high	89.8	Confident	0 Å²	0	24 Å²	24	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	114.8	-173.8	-51.9	165.7	0	0	0	109.3	I992 T996 I1007 L1011 M1028 V1029 S1030 F1031 W1057 L1061 I1106	I992-I994 HydrophobicContact CG2-CG1 3.97Å; I994-T996 HydrophobicContact CG2-CG2 4.24Å; I994-T996 PolarHBondContact O-N 3.23Å; I994-I1007 HydrophobicContact CG2-CG2 4.4Å; I994-L1011 HydrophobicContact CD1-CD1 3.57Å; I994-L1011 HydrophobicContact CG1-CD1 4.1Å; I994-L1011 HydrophobicContact CG2-CD1 4.43Å; I994-M1028 HydrophobicContact CD1-CB 4.35Å; I994-M1028 HydrophobicContact CD1-SD 4.42Å; I994-V1029 PolarHBondContact N-O 2.98Å; I994-S1030 CarbonylContact O-C 3.53Å; I994-S1030 WeakPolarHBondContact O-CA 3.08Å; I994-F1031 VanDerWaalsContact C-CE1 3.44Å; I994-F1031 VanDerWaalsContact O-CD1 3.32Å; I994-F1031 WeakPolarHBondContact O-CD1 3.43Å; I994-F1031 PolarHBondContact O-N 3.19Å; I994-W1057 HydrophobicContact CD1-CZ3 4.16Å; I994-L1061 HydrophobicContact CD1-CD1 4.12Å; I994-I1106 HydrophobicContact CG1-CD1 4.33Å
995	D	92.8	Very high	89.7	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	116.4	172.6	-165.8	-23.4	0	0	0	110.2	S997 M1000 F1031 T1067 I1106 T1107	D995-S997 WeakPolarHBondContact OD1-CB 3.24Å; D995-S997 PolarHBondContact OD1-N 3.2Å; D995-S997 PolarHBondContact OD1-OG 2.99Å; D995-M1000 HydrophobicContact CB-CE 4.44Å; D995-M1000 HydrophobicContact CB-CG 3.88Å; D995-M1000 HydrophobicContact CB-SD 4.41Å; D995-M1000 WeakPolarHBondContact O-CG 3.09Å; D995-F1031 HydrophobicContact CB-CE1 4.06Å; D995-F1031 HydrophobicContact CB-CE2 3.85Å; D995-F1031 HydrophobicContact CB-CZ 3.51Å; D995-F1031 VanDerWaalsContact N-CE1 3.34Å; D995-T1067 WeakPolarHBondContact OD2-CG2 3.13Å; D995-I1106 WeakPolarHBondContact CB-O 3.39Å; D995-I1106 PolarHBondContact N-O 3.43Å; D995-T1107 VanDerWaalsContact OD2-CB 3.31Å; D995-T1107 WeakPolarHBondContact OD2-CB 3.39Å; D995-T1107 PolarHBondContact OD2-OG1 3.38Å
996	T	91.5	Very high	89.5	Confident	7 Å²	7	31.8 Å²	31.8	4%	0.043	19%	0.192	C	C	.	.			trans	-115.4	26.2	175.4	55.2	0	0	0	0	111	I994 L1004 F1031 L1061 A1063 T1064	I994-T996 HydrophobicContact CG2-CG2 4.24Å; I994-T996 PolarHBondContact O-N 3.23Å; T996-L1004 HydrophobicContact CG2-CD1 4.27Å; T996-F1031 PolarHBondContact N-O 3.37Å; T996-F1031 PolarHBondContact OG1-O 3.14Å; T996-L1061 HydrophobicContact CG2-CB 4.36Å; T996-L1061 HydrophobicContact CG2-CD1 4.41Å; T996-A1063 CarbonylContact O-C 3.57Å; T996-A1063 WeakPolarHBondContact O-CA 3.35Å; T996-T1064 PolarHBondContact O-N 3.46Å; T996-T1064 VanDerWaalsContact O-O 3.07Å
997	S	89.9	Confident	89.7	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.007	18%	0.183	C	C	.	.	S	Bend	trans	-61.8	161.6	170.1	63.1	0	0	0	0	112	D995 S999 M1000 A1063 G1066 T1067	D995-S997 WeakPolarHBondContact OD1-CB 3.24Å; D995-S997 PolarHBondContact OD1-N 3.2Å; D995-S997 PolarHBondContact OD1-OG 2.99Å; S997-S999 PolarHBondContact O-N 3.26Å; S997-S999 VanDerWaalsContact O-N 3.16Å; S997-S999 PolarHBondContact OG-OG 3.32Å; S997-S999 VanDerWaalsContact OG-OG 3.09Å; S997-M1000 WeakPolarHBondContact O-CB 3.47Å; S997-M1000 PolarHBondContact O-N 2.82Å; S997-A1063 WeakPolarHBondContact O-CB 3.25Å; S997-G1066 WeakPolarHBondContact CB-O 3.38Å; S997-T1067 WeakPolarHBondContact CB-OG1 3.46Å; S997-T1067 PolarHBondContact OG-OG1 3.28Å
998	G	85.7	Confident	89.8	Confident	40 Å²	40	30.8 Å²	30.8	41%	0.412	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-60.8	-23.1	179.5	0	0	0	0	0	114.3	M1000 G1065	G998-M1000 VanDerWaalsContact C-N 3.28Å; G998-M1000 PolarHBondContact O-N 3.26Å; G998-G1065 PolarHBondContact N-O 2.76Å
999	S	85.8	Confident	89.9	Confident	66 Å²	66	28.3 Å²	28.3	46%	0.462	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-75	-18.4	176.2	54.6	0	0	0	0	113.5	S997 D1108	S997-S999 PolarHBondContact O-N 3.26Å; S997-S999 VanDerWaalsContact O-N 3.16Å; S997-S999 PolarHBondContact OG-OG 3.32Å; S997-S999 VanDerWaalsContact OG-OG 3.09Å; S999-D1108 WeakPolarHBondContact CB-OD2 3.32Å; S999-D1108 PolarHBondContact OG-OD2 2.87Å
1000	M	88.3	Confident	89.8	Confident	0 Å²	0	29 Å²	29	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-85.9	-6.5	177.4	-66.7	-66.3	-64.3	0	0	113.7	D995 S997 G998 A1002 H1003 L1004 I1007 D1108 Y1179	D995-M1000 HydrophobicContact CB-CE 4.44Å; D995-M1000 HydrophobicContact CB-CG 3.88Å; D995-M1000 HydrophobicContact CB-SD 4.41Å; D995-M1000 WeakPolarHBondContact O-CG 3.09Å; S997-M1000 WeakPolarHBondContact O-CB 3.47Å; S997-M1000 PolarHBondContact O-N 2.82Å; G998-M1000 VanDerWaalsContact C-N 3.28Å; G998-M1000 PolarHBondContact O-N 3.26Å; M1000-A1002 VanDerWaalsContact C-N 3.31Å; M1000-A1002 PolarHBondContact O-N 3.15Å; M1000-H1003 CarbonylContact O-C 3.43Å; M1000-H1003 PolarHBondContact O-N 3.19Å; M1000-L1004 PolarHBondContact O-N 3.25Å; M1000-I1007 HydrophobicContact CE-CD1 3.16Å; M1000-D1108 HydrophobicContact SD-CB 3.57Å; M1000-D1108 VanDerWaalsContact SD-CB 3.57Å; M1000-D1108 PolarHBondContact SD-N 3Å; M1000-D1108 VanDerWaalsContact SD-N 3.36Å; M1000-Y1179 HydrophobicContact CE-CD2 4.47Å; M1000-Y1179 HydrophobicContact CE-CG 4.37Å
1001	D	87.1	Confident	89.8	Confident	102 Å²	102	29.1 Å²	29.1	55%	0.545	18%	0.178	S	C	.	.	H	α-helix	trans	-54.7	-43	-173.1	-169.3	50.2	0	0	0	113.1	H1003 L1004 A1063	D1001-H1003 PolarHBondContact O-N 3.41Å; D1001-L1004 PolarHBondContact O-N 3.45Å; D1001-A1063 HydrophobicContact CB-CB 3.58Å; D1001-A1063 WeakPolarHBondContact OD1-CB 3.16Å
1002	A	85.7	Confident	89.8	Confident	87 Å²	87	29.9 Å²	29.9	72%	0.719	18%	0.182	S	C	*	.	H	α-helix	trans	-61.8	-29.6	178.2	0	0	0	0	0	113.4	M1000	M1000-A1002 VanDerWaalsContact C-N 3.31Å; M1000-A1002 PolarHBondContact O-N 3.15Å
1003	H	85.6	Confident	89.6	Confident	54 Å²	54	31.9 Å²	31.9	25%	0.25	19%	0.192	C	C	.	.	H	α-helix	trans	-102.2	-10.2	-177.5	-60.8	-62.6	0	0	0	112.9	M1000 D1001 N1005 E1006 I1007 Y1179	M1000-H1003 CarbonylContact O-C 3.43Å; M1000-H1003 PolarHBondContact O-N 3.19Å; D1001-H1003 PolarHBondContact O-N 3.41Å; H1003-N1005 PolarHBondContact O-N 3.02Å; H1003-E1006 IonicContact ND1-OE2 2.87Å; H1003-E1006 WeakPolarHBondContact O-CB 3.4Å; H1003-E1006 PolarHBondContact O-N 3.47Å; H1003-E1006 VanDerWaalsContact O-N 3.16Å; H1003-I1007 HydrophobicContact CB-CD1 4Å; H1003-I1007 VanDerWaalsContact O-CG1 3.31Å; H1003-I1007 WeakPolarHBondContact O-CG1 3.39Å; H1003-I1007 PolarHBondContact O-N 3.31Å; H1003-Y1179 HydrophobicContact CB-CD1 3.98Å
1004	L	88.8	Confident	89.6	Confident	5 Å²	5	32 Å²	32	3%	0.026	19%	0.193	C	C	.	.	H	α-helix	trans	-62.1	-42.3	-170.3	-175.8	63.5	0	0	0	112.3	T996 M1000 D1001 E1006 I1007 K1008 A1063	T996-L1004 HydrophobicContact CG2-CD1 4.27Å; M1000-L1004 PolarHBondContact O-N 3.25Å; D1001-L1004 PolarHBondContact O-N 3.45Å; L1004-E1006 VanDerWaalsContact C-N 3.32Å; L1004-E1006 PolarHBondContact O-N 3.05Å; L1004-I1007 PolarHBondContact O-N 2.91Å; L1004-K1008 VanDerWaalsContact O-CG 3.28Å; L1004-K1008 WeakPolarHBondContact O-CG 3.15Å; L1004-K1008 PolarHBondContact O-N 2.72Å; L1004-A1063 HydrophobicContact CD2-CB 3.92Å; L1004-A1063 VanDerWaalsContact CD2-N 3.33Å
1005	N	88.1	Confident	89.5	Confident	117 Å²	117	32 Å²	32	63%	0.626	19%	0.193	S	C	*	.	H	α-helix	trans	-64.2	-37.8	178.1	-71.9	-28.3	0	0	0	112.4	H1003 T1009	H1003-N1005 PolarHBondContact O-N 3.02Å; N1005-T1009 PolarHBondContact O-N 3.05Å; N1005-T1009 VanDerWaalsContact O-N 3.16Å; N1005-T1009 PolarHBondContact O-OG1 3.32Å
1006	E	86.7	Confident	89.5	Confident	52 Å²	52	33.7 Å²	33.7	24%	0.243	20%	0.199	C	C	.	.	H	α-helix	trans	-66.7	-46.4	175.3	-173.1	-177.5	-174.3	0	0	110.5	H1003 L1004 K1008 T1009 Y1010	H1003-E1006 IonicContact ND1-OE2 2.87Å; H1003-E1006 WeakPolarHBondContact O-CB 3.4Å; H1003-E1006 PolarHBondContact O-N 3.47Å; H1003-E1006 VanDerWaalsContact O-N 3.16Å; L1004-E1006 VanDerWaalsContact C-N 3.32Å; L1004-E1006 PolarHBondContact O-N 3.05Å; E1006-K1008 PolarHBondContact O-N 3.26Å; E1006-T1009 WeakPolarHBondContact O-CB 3.18Å; E1006-T1009 PolarHBondContact O-N 2.97Å; E1006-T1009 VanDerWaalsContact O-N 3.11Å; E1006-Y1010 HydrophobicContact CG-CD2 3.7Å; E1006-Y1010 HydrophobicContact CG-CE2 3.31Å; E1006-Y1010 VanDerWaalsContact O-CD2 3.23Å; E1006-Y1010 WeakPolarHBondContact O-CD2 3.38Å; E1006-Y1010 PolarHBondContact O-N 3.41Å; E1006-Y1010 WeakPolarHBondContact OE1-CE2 2.97Å
1007	I	89.8	Confident	89.5	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.1	-45	176.7	-70.2	164.6	0	0	0	111.4	I994 M1000 H1003 L1004 T1009 Y1010 L1011 I1106 Y1179	I994-I1007 HydrophobicContact CG2-CG2 4.4Å; M1000-I1007 HydrophobicContact CE-CD1 3.16Å; H1003-I1007 HydrophobicContact CB-CD1 4Å; H1003-I1007 VanDerWaalsContact O-CG1 3.31Å; H1003-I1007 WeakPolarHBondContact O-CG1 3.39Å; H1003-I1007 PolarHBondContact O-N 3.31Å; L1004-I1007 PolarHBondContact O-N 2.91Å; I1007-T1009 VanDerWaalsContact C-N 3.26Å; I1007-T1009 PolarHBondContact O-N 3.06Å; I1007-Y1010 PolarHBondContact O-N 3Å; I1007-L1011 HydrophobicContact CG2-CD1 3.63Å; I1007-L1011 HydrophobicContact CG2-CG 4.04Å; I1007-L1011 VanDerWaalsContact O-CB 3.29Å; I1007-L1011 WeakPolarHBondContact O-CB 3.43Å; I1007-L1011 VanDerWaalsContact O-CG 3.27Å; I1007-L1011 WeakPolarHBondContact O-CG 3.25Å; I1007-L1011 PolarHBondContact O-N 3.18Å; I1007-I1106 HydrophobicContact CD1-CG2 4.18Å; I1007-I1106 HydrophobicContact CG2-CG2 4.47Å; I1007-Y1179 HydrophobicContact CD1-CD1 4.17Å; I1007-Y1179 HydrophobicContact CD1-CD2 4Å; I1007-Y1179 HydrophobicContact CD1-CE1 4.17Å; I1007-Y1179 HydrophobicContact CD1-CE2 4.01Å; I1007-Y1179 HydrophobicContact CD1-CG 4.08Å; I1007-Y1179 HydrophobicContact CG1-CD1 4.17Å; I1007-Y1179 HydrophobicContact CG1-CD2 4.25Å; I1007-Y1179 HydrophobicContact CG1-CE1 3.66Å; I1007-Y1179 HydrophobicContact CG1-CE2 3.76Å; I1007-Y1179 HydrophobicContact CG1-CG 4.44Å; I1007-Y1179 VanDerWaalsContact CG1-CZ 3.43Å
1008	K	92	Very high	89.6	Confident	25 Å²	25	35.7 Å²	35.7	11%	0.109	21%	0.208	C	C	.	.	H	α-helix	trans	-55.4	-44.9	174.7	-74.4	-178.6	180	-171.8	0	110.8	L1004 E1006 L1011 K1012 I1058 D1059 L1061	L1004-K1008 VanDerWaalsContact O-CG 3.28Å; L1004-K1008 WeakPolarHBondContact O-CG 3.15Å; L1004-K1008 PolarHBondContact O-N 2.72Å; E1006-K1008 PolarHBondContact O-N 3.26Å; K1008-L1011 PolarHBondContact O-N 2.99Å; K1008-K1012 WeakPolarHBondContact O-CG 3.34Å; K1008-K1012 PolarHBondContact O-N 2.82Å; K1008-K1012 VanDerWaalsContact O-N 3.12Å; K1008-I1058 HydrophobicContact CB-CG2 3.85Å; K1008-I1058 WeakPolarHBondContact CE-O 3.44Å; K1008-I1058 HydrophobicContact CG-CG2 3.69Å; K1008-D1059 PolarHBondContact NZ-O 2.92Å; K1008-L1061 WeakPolarHBondContact CE-O 3.41Å; K1008-L1061 PolarHBondContact NZ-O 3.15Å
1009	T	89.3	Confident	89.9	Confident	38 Å²	38	33.8 Å²	33.8	23%	0.233	19%	0.188	C	C	.	.	H	α-helix	trans	-62.7	-48.7	-178.6	-57.2	0	0	0	0	111.5	D695 F698 N1005 E1006 I1007 K1012 L1013	D695-T1009 VanDerWaalsContact O-CG2 3.29Å; D695-T1009 WeakPolarHBondContact O-CG2 3.36Å; F698-T1009 HydrophobicContact CZ-CG2 4.04Å; N1005-T1009 PolarHBondContact O-N 3.05Å; N1005-T1009 VanDerWaalsContact O-N 3.16Å; N1005-T1009 PolarHBondContact O-OG1 3.32Å; E1006-T1009 WeakPolarHBondContact O-CB 3.18Å; E1006-T1009 PolarHBondContact O-N 2.97Å; E1006-T1009 VanDerWaalsContact O-N 3.11Å; I1007-T1009 VanDerWaalsContact C-N 3.26Å; I1007-T1009 PolarHBondContact O-N 3.06Å; T1009-K1012 PolarHBondContact O-N 3.2Å; T1009-L1013 PolarHBondContact O-N 3.07Å
1010	Y	88.7	Confident	90.3	Very high	15 Å²	15	33.5 Å²	33.5	6%	0.059	18%	0.18	C	C	.	.	H	α-helix	trans	-73.2	-32	-179.6	-65.2	-55.7	0	0	0	113.3	Y981 F982 E1006 I1007 K1012 L1013 L1014	Y981-Y1010 AromaticContact CD1-CD2 3.75Å; Y981-Y1010 HydrophobicContact CD1-CD2 3.75Å; Y981-Y1010 AromaticContact CD1-CE2 3.93Å; Y981-Y1010 HydrophobicContact CD1-CE2 3.93Å; Y981-Y1010 HydrophobicContact CD1-CG 4.28Å; Y981-Y1010 AromaticContact CD2-CD1 3.64Å; Y981-Y1010 HydrophobicContact CD2-CD1 3.64Å; Y981-Y1010 AromaticContact CD2-CD2 3.97Å; Y981-Y1010 HydrophobicContact CD2-CD2 3.97Å; Y981-Y1010 AromaticContact CD2-CE1 3.9Å; Y981-Y1010 HydrophobicContact CD2-CE1 3.9Å; Y981-Y1010 HydrophobicContact CD2-CE2 4.14Å; Y981-Y1010 AromaticContact CD2-CG 3.73Å; Y981-Y1010 HydrophobicContact CD2-CG 3.73Å; Y981-Y1010 AromaticContact CE1-CD2 3.66Å; Y981-Y1010 HydrophobicContact CE1-CD2 3.66Å; Y981-Y1010 AromaticContact CE1-CE2 3.32Å; Y981-Y1010 HydrophobicContact CE1-CE2 3.32Å; Y981-Y1010 HydrophobicContact CE1-CG 4.41Å; Y981-Y1010 AromaticContact CE1-CZ 3.88Å; Y981-Y1010 AromaticContact CE2-CD1 3.57Å; Y981-Y1010 HydrophobicContact CE2-CD1 3.57Å; Y981-Y1010 AromaticContact CE2-CD2 3.91Å; Y981-Y1010 HydrophobicContact CE2-CD2 3.91Å; Y981-Y1010 AromaticContact CE2-CE1 3.3Å; Y981-Y1010 HydrophobicContact CE2-CE1 3.3Å; Y981-Y1010 AromaticContact CE2-CE2 3.59Å; Y981-Y1010 HydrophobicContact CE2-CE2 3.59Å; Y981-Y1010 AromaticContact CE2-CG 3.91Å; Y981-Y1010 HydrophobicContact CE2-CG 3.91Å; Y981-Y1010 AromaticContact CE2-CZ 3.33Å; Y981-Y1010 HydrophobicContact CG-CD1 4.34Å; Y981-Y1010 AromaticContact CG-CD2 3.92Å; Y981-Y1010 HydrophobicContact CG-CD2 3.92Å; Y981-Y1010 HydrophobicContact CG-CE2 4.32Å; Y981-Y1010 AromaticContact CG-CG 3.96Å; Y981-Y1010 HydrophobicContact CG-CG 3.96Å; Y981-Y1010 AromaticContact CZ-CD2 3.77Å; Y981-Y1010 AromaticContact CZ-CE1 3.71Å; Y981-Y1010 AromaticContact CZ-CE2 3.15Å; Y981-Y1010 AromaticContact CZ-CZ 3.17Å; Y981-Y1010 WeakPolarHBondContact OH-CE2 3.48Å; Y981-Y1010 PolarHBondContact OH-OH 3.32Å; F982-Y1010 VanDerWaalsContact CE2-C 3.48Å; F982-Y1010 VanDerWaalsContact CE2-O 3.31Å; F982-Y1010 WeakPolarHBondContact CE2-O 3.19Å; E1006-Y1010 HydrophobicContact CG-CD2 3.7Å; E1006-Y1010 HydrophobicContact CG-CE2 3.31Å; E1006-Y1010 VanDerWaalsContact O-CD2 3.23Å; E1006-Y1010 WeakPolarHBondContact O-CD2 3.38Å; E1006-Y1010 PolarHBondContact O-N 3.41Å; E1006-Y1010 WeakPolarHBondContact OE1-CE2 2.97Å; I1007-Y1010 PolarHBondContact O-N 3Å; Y1010-K1012 VanDerWaalsContact C-N 3.35Å; Y1010-L1013 HydrophobicContact CD1-CD1 3.82Å; Y1010-L1013 HydrophobicContact CE1-CD1 4.22Å; Y1010-L1013 WeakPolarHBondContact O-CB 3.09Å; Y1010-L1013 PolarHBondContact O-N 3.47Å; Y1010-L1014 WeakPolarHBondContact O-CB 3.34Å; Y1010-L1014 PolarHBondContact O-N 3.29Å
1011	L	93.2	Very high	90.3	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-62.3	-42.1	173.4	-80.1	173.7	0	0	0	111.7	F982 I992 I994 I1007 K1008 L1013 L1014 I1015 I1058 I1106	F982-L1011 HydrophobicContact CE1-CD2 3.96Å; F982-L1011 HydrophobicContact CE1-CG 4.41Å; F982-L1011 HydrophobicContact CZ-CD2 3.87Å; F982-L1011 HydrophobicContact CZ-CG 3.99Å; I992-L1011 HydrophobicContact CG2-CD2 4.22Å; I994-L1011 HydrophobicContact CD1-CD1 3.57Å; I994-L1011 HydrophobicContact CG1-CD1 4.1Å; I994-L1011 HydrophobicContact CG2-CD1 4.43Å; I1007-L1011 HydrophobicContact CG2-CD1 3.63Å; I1007-L1011 HydrophobicContact CG2-CG 4.04Å; I1007-L1011 VanDerWaalsContact O-CB 3.29Å; I1007-L1011 WeakPolarHBondContact O-CB 3.43Å; I1007-L1011 VanDerWaalsContact O-CG 3.27Å; I1007-L1011 WeakPolarHBondContact O-CG 3.25Å; I1007-L1011 PolarHBondContact O-N 3.18Å; K1008-L1011 PolarHBondContact O-N 2.99Å; L1011-L1013 VanDerWaalsContact C-N 3.31Å; L1011-L1013 PolarHBondContact O-N 2.98Å; L1011-L1014 HydrophobicContact CD2-CD2 4.21Å; L1011-L1014 WeakPolarHBondContact O-CB 3.5Å; L1011-L1014 PolarHBondContact O-N 2.9Å; L1011-L1014 VanDerWaalsContact O-N 3.15Å; L1011-I1015 WeakPolarHBondContact O-CG1 3.37Å; L1011-I1015 PolarHBondContact O-N 3.22Å; L1011-I1058 HydrophobicContact CB-CD1 3.96Å; L1011-I1106 HydrophobicContact CD2-CD1 3.81Å; L1011-I1106 HydrophobicContact CG-CD1 4.5Å
1012	K	93.2	Very high	90.3	Very high	17 Å²	17	39.1 Å²	39.1	7%	0.074	20%	0.202	C	C	.	.	H	α-helix	trans	-62.1	-39.8	174.7	-67.7	170.7	179.4	-163.9	0	111.7	F698 K1008 T1009 Y1010 W1016 I1055 I1058 D1059	F698-K1012 HydrophobicContact CD1-CB 3.72Å; F698-K1012 HydrophobicContact CD1-CD 4.06Å; F698-K1012 HydrophobicContact CD2-CD 3.95Å; F698-K1012 HydrophobicContact CE1-CB 3.12Å; F698-K1012 HydrophobicContact CE1-CD 3.49Å; F698-K1012 VanDerWaalsContact CE1-CD 3.49Å; F698-K1012 HydrophobicContact CE1-CG 3.96Å; F698-K1012 HydrophobicContact CE2-CD 3.33Å; F698-K1012 HydrophobicContact CG-CD 4.31Å; F698-K1012 HydrophobicContact CZ-CB 3.64Å; F698-K1012 HydrophobicContact CZ-CD 3.1Å; F698-K1012 HydrophobicContact CZ-CG 4.02Å; K1008-K1012 WeakPolarHBondContact O-CG 3.34Å; K1008-K1012 PolarHBondContact O-N 2.82Å; K1008-K1012 VanDerWaalsContact O-N 3.12Å; T1009-K1012 PolarHBondContact O-N 3.2Å; Y1010-K1012 VanDerWaalsContact C-N 3.35Å; K1012-W1016 VanDerWaalsContact O-CD1 3.32Å; K1012-W1016 PolarHBondContact O-N 3.12Å; K1012-I1055 HydrophobicContact CB-CG1 4.42Å; K1012-I1055 HydrophobicContact CD-CG2 4.08Å; K1012-I1055 HydrophobicContact CG-CB 4.47Å; K1012-I1055 HydrophobicContact CG-CG1 4.05Å; K1012-I1055 HydrophobicContact CG-CG2 3.98Å; K1012-I1058 HydrophobicContact CG-CG2 4.48Å; K1012-D1059 VanDerWaalsContact CE-CG 3.47Å; K1012-D1059 WeakPolarHBondContact CE-OD1 3.4Å; K1012-D1059 WeakPolarHBondContact CE-OD2 3.06Å; K1012-D1059 IonicContact NZ-OD1 3.88Å; K1012-D1059 PolarHBondContact NZ-OD1 3.42Å; K1012-D1059 IonicContact NZ-OD2 2.87Å; K1012-D1059 PolarHBondContact NZ-OD2 3.02Å
1013	L	91.1	Very high	90.5	Very high	42 Å²	42	42.1 Å²	42.1	22%	0.22	20%	0.199	C	C	.	.	H	α-helix	trans	-64	-40.9	171.6	-71.9	169.4	0	0	0	112.2	T1009 Y1010 L1011 I1015 W1016 E1017	T1009-L1013 PolarHBondContact O-N 3.07Å; Y1010-L1013 HydrophobicContact CD1-CD1 3.82Å; Y1010-L1013 HydrophobicContact CE1-CD1 4.22Å; Y1010-L1013 WeakPolarHBondContact O-CB 3.09Å; Y1010-L1013 PolarHBondContact O-N 3.47Å; L1011-L1013 VanDerWaalsContact C-N 3.31Å; L1011-L1013 PolarHBondContact O-N 2.98Å; L1013-I1015 PolarHBondContact O-N 3.15Å; L1013-W1016 PolarHBondContact O-N 3.21Å; L1013-E1017 WeakPolarHBondContact O-CB 3.06Å; L1013-E1017 PolarHBondContact O-N 3.08Å
1014	L	93.2	Very high	90.7	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-60.1	-45.3	177.8	177.1	69.5	0	0	0	112	F982 I985 I992 Y1010 L1011 W1016 Q1018 L1019	F982-L1014 HydrophobicContact CB-CD1 4.19Å; F982-L1014 HydrophobicContact CB-CD2 4.39Å; F982-L1014 HydrophobicContact CD1-CD2 4.31Å; F982-L1014 HydrophobicContact CD2-CB 3.9Å; F982-L1014 HydrophobicContact CD2-CD1 3.98Å; F982-L1014 HydrophobicContact CD2-CD2 3.89Å; F982-L1014 HydrophobicContact CD2-CG 4.14Å; F982-L1014 HydrophobicContact CE2-CB 3.92Å; F982-L1014 HydrophobicContact CE2-CD2 4.24Å; F982-L1014 HydrophobicContact CG-CD1 4.3Å; F982-L1014 HydrophobicContact CG-CD2 3.93Å; I985-L1014 HydrophobicContact CD1-CD1 4.23Å; I985-L1014 HydrophobicContact CG1-CD1 3.8Å; I992-L1014 HydrophobicContact CD1-CD2 3.8Å; Y1010-L1014 WeakPolarHBondContact O-CB 3.34Å; Y1010-L1014 PolarHBondContact O-N 3.29Å; L1011-L1014 HydrophobicContact CD2-CD2 4.21Å; L1011-L1014 WeakPolarHBondContact O-CB 3.5Å; L1011-L1014 PolarHBondContact O-N 2.9Å; L1011-L1014 VanDerWaalsContact O-N 3.15Å; L1014-W1016 PolarHBondContact O-N 3.06Å; L1014-Q1018 HydrophobicContact CD1-CB 4Å; L1014-Q1018 HydrophobicContact CD1-CG 4.2Å; L1014-Q1018 PolarHBondContact O-N 3.44Å; L1014-L1019 HydrophobicContact CG-CG 4.45Å; L1014-L1019 PolarHBondContact O-N 3.27Å
1015	I	93.8	Very high	90.8	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	19%	0.188	C	C	.	.	I	π-helix	trans	-55.5	-52.3	179	-72.3	168.3	0	0	0	109.9	L1011 L1013 L1019 H1020 F1026 M1028 C1051 A1054 I1055 I1058	L1011-I1015 WeakPolarHBondContact O-CG1 3.37Å; L1011-I1015 PolarHBondContact O-N 3.22Å; L1013-I1015 PolarHBondContact O-N 3.15Å; I1015-L1019 HydrophobicContact CG1-CD1 4.19Å; I1015-L1019 WeakPolarHBondContact O-CB 3.37Å; I1015-L1019 PolarHBondContact O-N 3.01Å; I1015-H1020 WeakPolarHBondContact O-CB 3.41Å; I1015-H1020 PolarHBondContact O-N 3.44Å; I1015-F1026 HydrophobicContact CG1-CE2 4.4Å; I1015-M1028 HydrophobicContact CD1-CE 4.41Å; I1015-M1028 HydrophobicContact CD1-SD 4.38Å; I1015-C1051 HydrophobicContact CG2-CB 3.59Å; I1015-C1051 WeakPolarHBondContact CG2-SG 3.42Å; I1015-A1054 HydrophobicContact CD1-CB 3.85Å; I1015-I1055 HydrophobicContact CD1-CG1 3.99Å; I1015-I1058 HydrophobicContact CD1-CD1 3.42Å; I1015-I1058 VanDerWaalsContact CD1-CD1 3.42Å
1016	W	92.2	Very high	91.1	Very high	35 Å²	35	34.3 Å²	34.3	13%	0.133	16%	0.158	C	C	.	.	I	π-helix	trans	-74.5	-45.8	-178.2	-69.3	118.7	0	0	0	113.6	K1012 L1013 L1014 H1020 E1048 C1051 H1052 I1055	K1012-W1016 VanDerWaalsContact O-CD1 3.32Å; K1012-W1016 PolarHBondContact O-N 3.12Å; L1013-W1016 PolarHBondContact O-N 3.21Å; L1014-W1016 PolarHBondContact O-N 3.06Å; W1016-H1020 HydrophobicContact CE3-CB 3.92Å; W1016-H1020 AromaticContact CE3-CG 3.76Å; W1016-H1020 AromaticContact CE3-ND1 3.81Å; W1016-H1020 HydrophobicContact CZ3-CB 4.33Å; W1016-H1020 AromaticContact CZ3-CD2 3.91Å; W1016-H1020 AromaticContact CZ3-CG 3.78Å; W1016-H1020 AromaticContact CZ3-ND1 3.87Å; W1016-E1048 HydrophobicContact CH2-CG 4.06Å; W1016-E1048 HydrophobicContact CZ3-CG 4.47Å; W1016-C1051 HydrophobicContact CE3-CB 4.39Å; W1016-C1051 HydrophobicContact CH2-CB 3.65Å; W1016-C1051 HydrophobicContact CZ2-CB 3.95Å; W1016-C1051 HydrophobicContact CZ3-CB 3.9Å; W1016-H1052 AromaticContact CH2-NE2 3.84Å; W1016-H1052 AromaticContact CZ2-CE1 3.7Å; W1016-H1052 AromaticContact CZ2-ND1 3.96Å; W1016-H1052 AromaticContact CZ2-NE2 3.82Å; W1016-I1055 HydrophobicContact CZ2-CD1 4.04Å
1017	E	90.3	Very high	91.4	Very high	48 Å²	48	31.8 Å²	31.8	22%	0.224	15%	0.147	C	C	.	.	I	π-helix	trans	-75.3	-35.7	-169.7	-168	-171.6	176.6	0	0	113.1	S978 R979 L1013 K1021	S978-E1017 VanDerWaalsContact CB-OE2 3.3Å; S978-E1017 WeakPolarHBondContact CB-OE2 3.44Å; S978-E1017 PolarHBondContact N-OE2 2.92Å; S978-E1017 PolarHBondContact OG-OE2 3.03Å; R979-E1017 IonicContact CZ-OE1 3.64Å; R979-E1017 IonicContact NH1-OE1 3.89Å; R979-E1017 PolarHBondContact NH1-OE1 2.97Å; R979-E1017 IonicContact NH2-OE1 3.03Å; R979-E1017 PolarHBondContact NH2-OE1 3.18Å; L1013-E1017 WeakPolarHBondContact O-CB 3.06Å; L1013-E1017 PolarHBondContact O-N 3.08Å; E1017-K1021 WeakPolarHBondContact O-CB 3.44Å
1018	Q	92	Very high	91.7	Very high	3 Å²	3	31.8 Å²	31.8	1%	0.014	15%	0.147	C	C	.	.	I	π-helix	trans	-118.5	-37.6	-174.6	-62.2	-165.9	64.6	0	0	114.2	S978 G983 I985 L1014 N1022	S978-Q1018 PolarHBondContact OG-NE2 2.83Å; G983-Q1018 PolarHBondContact O-NE2 2.95Å; G983-Q1018 VanDerWaalsContact O-NE2 3.12Å; I985-Q1018 HydrophobicContact CG1-CB 4.36Å; L1014-Q1018 HydrophobicContact CD1-CB 4Å; L1014-Q1018 HydrophobicContact CD1-CG 4.2Å; L1014-Q1018 PolarHBondContact O-N 3.44Å; Q1018-N1022 WeakPolarHBondContact O-CB 3.25Å; Q1018-N1022 PolarHBondContact O-ND2 2.78Å
1019	L	93.8	Very high	91.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.142	C	C	.	.	I	π-helix	trans	-82.4	-59	-175.2	-51	-174.9	0	0	0	111.6	I985 I990 I992 L1014 I1015 N1022 K1023 V1024 F1026 A1046	I985-L1019 HydrophobicContact CG1-CD2 4.35Å; I985-L1019 HydrophobicContact CG2-CD2 4.28Å; I990-L1019 HydrophobicContact CD1-CD1 4.29Å; I990-L1019 HydrophobicContact CD1-CD2 3.52Å; I990-L1019 HydrophobicContact CG1-CD2 4.47Å; I992-L1019 HydrophobicContact CD1-CD1 4.2Å; L1014-L1019 HydrophobicContact CG-CG 4.45Å; L1014-L1019 PolarHBondContact O-N 3.27Å; I1015-L1019 HydrophobicContact CG1-CD1 4.19Å; I1015-L1019 WeakPolarHBondContact O-CB 3.37Å; I1015-L1019 PolarHBondContact O-N 3.01Å; L1019-N1022 CarbonylContact O-C 3.57Å; L1019-N1022 PolarHBondContact O-N 3.34Å; L1019-K1023 PolarHBondContact O-N 3.46Å; L1019-V1024 HydrophobicContact CB-CB 4.32Å; L1019-V1024 HydrophobicContact CD2-CB 4.03Å; L1019-V1024 HydrophobicContact CD2-CG1 4.05Å; L1019-V1024 HydrophobicContact CD2-CG2 4.27Å; L1019-V1024 PolarHBondContact O-N 2.89Å; L1019-F1026 HydrophobicContact CD1-CB 4.08Å; L1019-F1026 HydrophobicContact CD1-CD1 4.23Å; L1019-F1026 HydrophobicContact CD1-CD2 3.72Å; L1019-F1026 HydrophobicContact CD1-CE2 4.19Å; L1019-F1026 HydrophobicContact CD1-CG 3.74Å; L1019-A1046 HydrophobicContact CB-CB 3.96Å
1020	H	92.5	Very high	92	Very high	60 Å²	60	29 Å²	29	28%	0.278	13%	0.132	S	C	.	.	I	π-helix	trans	-59.4	-51.5	178.7	-178.4	-103.8	0	0	0	111.2	I1015 W1016 N1022 K1023 A1046	I1015-H1020 WeakPolarHBondContact O-CB 3.41Å; I1015-H1020 PolarHBondContact O-N 3.44Å; W1016-H1020 HydrophobicContact CE3-CB 3.92Å; W1016-H1020 AromaticContact CE3-CG 3.76Å; W1016-H1020 AromaticContact CE3-ND1 3.81Å; W1016-H1020 HydrophobicContact CZ3-CB 4.33Å; W1016-H1020 AromaticContact CZ3-CD2 3.91Å; W1016-H1020 AromaticContact CZ3-CG 3.78Å; W1016-H1020 AromaticContact CZ3-ND1 3.87Å; H1020-N1022 PolarHBondContact O-N 2.91Å; H1020-N1022 VanDerWaalsContact O-N 3.08Å; H1020-K1023 PolarHBondContact O-N 2.99Å; H1020-A1046 PolarHBondContact CD2-O 2.89Å; H1020-A1046 VanDerWaalsContact CD2-O 3.26Å
1021	K	89.1	Confident	92.2	Very high	157 Å²	157	28.2 Å²	28.2	68%	0.683	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-33.7	179.9	-173.7	175.3	-178.8	175.8	0	113.4	E1017	E1017-K1021 WeakPolarHBondContact O-CB 3.44Å
1022	N	87.5	Confident	92	Very high	63 Å²	63	28.5 Å²	28.5	34%	0.337	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	12.1	-178.8	-56	-61	0	0	0	114.1	Q1018 L1019 H1020 V1024	Q1018-N1022 WeakPolarHBondContact O-CB 3.25Å; Q1018-N1022 PolarHBondContact O-ND2 2.78Å; L1019-N1022 CarbonylContact O-C 3.57Å; L1019-N1022 PolarHBondContact O-N 3.34Å; H1020-N1022 PolarHBondContact O-N 2.91Å; H1020-N1022 VanDerWaalsContact O-N 3.08Å; N1022-V1024 HydrophobicContact CB-CG2 3.99Å; N1022-V1024 PolarHBondContact O-N 2.99Å
1023	K	88.9	Confident	91.7	Very high	150 Å²	150	31.2 Å²	31.2	65%	0.652	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.8	43.4	-178.7	-56.8	-172.1	177.6	-170.4	0	113.5	L1019 H1020	L1019-K1023 PolarHBondContact O-N 3.46Å; H1020-K1023 PolarHBondContact O-N 2.99Å
1024	V	90.6	Very high	91.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.17	C	C	.	.			trans	-72.1	136.9	-179.8	-177.4	0	0	0	0	109.3	E988 I990 L1019 N1022 A1046	E988-V1024 WeakPolarHBondContact O-CG1 3.49Å; I990-V1024 HydrophobicContact CD1-CG1 4.4Å; I990-V1024 HydrophobicContact CG1-CG1 4.01Å; I990-V1024 HydrophobicContact CG2-CG1 4.41Å; L1019-V1024 HydrophobicContact CB-CB 4.32Å; L1019-V1024 HydrophobicContact CD2-CB 4.03Å; L1019-V1024 HydrophobicContact CD2-CG1 4.05Å; L1019-V1024 HydrophobicContact CD2-CG2 4.27Å; L1019-V1024 PolarHBondContact O-N 2.89Å; N1022-V1024 HydrophobicContact CB-CG2 3.99Å; N1022-V1024 PolarHBondContact O-N 2.99Å; V1024-A1046 VanDerWaalsContact O-CB 3.24Å; V1024-A1046 WeakPolarHBondContact O-CB 3.29Å; V1024-A1046 PolarHBondContact O-N 2.94Å
1025	F	91.5	Very high	91.3	Very high	11 Å²	11	36.4 Å²	36.4	5%	0.048	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	124.7	168.6	-68.8	-99.4	0	0	0	108.7	E988 C989 I990 V1043 V1044 M1045 Y1092 F1096 M1099	E988-F1025 PolarHBondContact O-N 2.71Å; C989-F1025 CarbonylContact C-O 3.15Å; C989-F1025 VanDerWaalsContact CA-O 3.26Å; C989-F1025 WeakPolarHBondContact CA-O 3.25Å; C989-F1025 HydrophobicContact CB-CB 4.39Å; I990-F1025 PolarHBondContact N-O 2.76Å; F1025-V1043 HydrophobicContact CB-CB 4.43Å; F1025-V1043 HydrophobicContact CB-CG2 4.24Å; F1025-V1044 CarbonylContact C-O 3.27Å; F1025-V1044 WeakPolarHBondContact CA-O 3.35Å; F1025-M1045 HydrophobicContact CD1-CB 4.04Å; F1025-M1045 HydrophobicContact CE1-CB 3.78Å; F1025-M1045 HydrophobicContact CE1-CE 4.27Å; F1025-M1045 HydrophobicContact CE1-CG 4.22Å; F1025-M1045 HydrophobicContact CE2-CG 4.4Å; F1025-M1045 HydrophobicContact CZ-CB 4.19Å; F1025-M1045 HydrophobicContact CZ-CE 4Å; F1025-M1045 HydrophobicContact CZ-CG 4.13Å; F1025-Y1092 HydrophobicContact CE1-CD1 4.47Å; F1025-Y1092 HydrophobicContact CE1-CD2 4.04Å; F1025-Y1092 HydrophobicContact CE1-CE2 4.17Å; F1025-Y1092 HydrophobicContact CE1-CG 4.17Å; F1025-Y1092 HydrophobicContact CZ-CG 4.35Å; F1025-F1096 HydrophobicContact CD1-CE1 4.2Å; F1025-F1096 AromaticContact CE1-CE1 3.98Å; F1025-F1096 HydrophobicContact CE1-CE1 3.98Å; F1025-F1096 HydrophobicContact CE1-CZ 4.24Å; F1025-F1096 HydrophobicContact CE2-CE1 4.45Å; F1025-F1096 HydrophobicContact CZ-CE1 4.11Å; F1025-F1096 HydrophobicContact CZ-CZ 4.44Å; F1025-M1099 HydrophobicContact CD2-CE 3.57Å; F1025-M1099 HydrophobicContact CE2-CE 3.83Å
1026	F	94.1	Very high	91.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	159	-176	80.8	-70.8	0	0	0	113	I990 I1015 L1019 M1028 W1038 V1043 V1044 A1046 A1054	I990-F1026 HydrophobicContact CD1-CB 4.28Å; I990-F1026 HydrophobicContact CG1-CB 3.69Å; I990-F1026 VanDerWaalsContact O-CA 3.28Å; I990-F1026 WeakPolarHBondContact O-CA 3.32Å; I1015-F1026 HydrophobicContact CG1-CE2 4.4Å; L1019-F1026 HydrophobicContact CD1-CB 4.08Å; L1019-F1026 HydrophobicContact CD1-CD1 4.23Å; L1019-F1026 HydrophobicContact CD1-CD2 3.72Å; L1019-F1026 HydrophobicContact CD1-CE2 4.19Å; L1019-F1026 HydrophobicContact CD1-CG 3.74Å; F1026-M1028 HydrophobicContact CD2-CG 4.13Å; F1026-M1028 HydrophobicContact CE2-CE 4.15Å; F1026-M1028 HydrophobicContact CE2-CG 4.24Å; F1026-M1028 HydrophobicContact CE2-SD 4.24Å; F1026-W1038 HydrophobicContact CD2-CZ3 4.03Å; F1026-W1038 HydrophobicContact CE1-CH2 4.2Å; F1026-W1038 HydrophobicContact CE1-CZ3 4.21Å; F1026-W1038 HydrophobicContact CE2-CE3 4.21Å; F1026-W1038 AromaticContact CE2-CH2 3.98Å; F1026-W1038 HydrophobicContact CE2-CH2 3.98Å; F1026-W1038 AromaticContact CE2-CZ3 3.48Å; F1026-W1038 HydrophobicContact CE2-CZ3 3.48Å; F1026-W1038 VanDerWaalsContact CE2-CZ3 3.48Å; F1026-W1038 AromaticContact CZ-CH2 3.61Å; F1026-W1038 HydrophobicContact CZ-CH2 3.61Å; F1026-W1038 AromaticContact CZ-CZ3 3.59Å; F1026-W1038 HydrophobicContact CZ-CZ3 3.59Å; F1026-V1043 WeakPolarHBondContact O-CA 3.29Å; F1026-V1044 PolarHBondContact N-O 2.81Å; F1026-V1044 PolarHBondContact O-N 3.04Å; F1026-A1046 HydrophobicContact CD1-CB 3.75Å; F1026-A1046 HydrophobicContact CE1-CB 3.63Å; F1026-A1054 HydrophobicContact CE2-CB 4.01Å; F1026-A1054 HydrophobicContact CZ-CB 3.87Å
1027	N	93.7	Very high	91.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	163.1	163.8	-163.7	-6.5	0	0	0	108.2	I990 V991 I992 Q1039 G1042 V1043 H1079	I990-N1027 PolarHBondContact O-N 2.89Å; V991-N1027 WeakPolarHBondContact CA-O 3.25Å; V991-N1027 HydrophobicContact CG2-CB 4.43Å; I992-N1027 PolarHBondContact N-O 3.42Å; N1027-Q1039 PolarHBondContact ND2-O 2.94Å; N1027-Q1039 PolarHBondContact OD1-N 3.21Å; N1027-G1042 PolarHBondContact ND2-O 2.86Å; N1027-V1043 HydrophobicContact CB-CB 4.38Å; N1027-V1043 HydrophobicContact CB-CG1 3.77Å; N1027-H1079 PolarHBondContact ND2-ND1 3.03Å
1028	M	95	Very high	91.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	136.9	178.8	-57	-175.6	-68.7	0	0	109.5	I992 I994 I1015 F1026 W1038 A1054 W1057 I1058	I992-M1028 HydrophobicContact CB-CG 4.2Å; I992-M1028 HydrophobicContact CD1-CG 4.46Å; I992-M1028 CarbonylContact O-C 3.59Å; I992-M1028 VanDerWaalsContact O-CA 3.28Å; I992-M1028 WeakPolarHBondContact O-CA 3.11Å; I994-M1028 HydrophobicContact CD1-CB 4.35Å; I994-M1028 HydrophobicContact CD1-SD 4.42Å; I1015-M1028 HydrophobicContact CD1-CE 4.41Å; I1015-M1028 HydrophobicContact CD1-SD 4.38Å; F1026-M1028 HydrophobicContact CD2-CG 4.13Å; F1026-M1028 HydrophobicContact CE2-CE 4.15Å; F1026-M1028 HydrophobicContact CE2-CG 4.24Å; F1026-M1028 HydrophobicContact CE2-SD 4.24Å; M1028-W1038 HydrophobicContact CB-CB 4.28Å; M1028-W1038 HydrophobicContact CE-CD2 4.02Å; M1028-W1038 HydrophobicContact CE-CE3 3.98Å; M1028-W1038 HydrophobicContact CE-CG 4.3Å; M1028-W1038 HydrophobicContact CG-CE3 4.48Å; M1028-W1038 WeakPolarHBondContact O-CB 3.47Å; M1028-W1038 PolarHBondContact O-N 2.66Å; M1028-A1054 HydrophobicContact CE-CB 3.47Å; M1028-A1054 VanDerWaalsContact CE-CB 3.47Å; M1028-W1057 HydrophobicContact CB-CH2 4.29Å; M1028-W1057 HydrophobicContact CB-CZ3 3.79Å; M1028-W1057 HydrophobicContact CE-CE3 3.92Å; M1028-W1057 HydrophobicContact CE-CZ3 4.21Å; M1028-I1058 HydrophobicContact CE-CD1 3.84Å; M1028-I1058 HydrophobicContact CE-CG1 3.9Å; M1028-I1058 HydrophobicContact SD-CD1 3.81Å; M1028-I1058 HydrophobicContact SD-CG1 4.11Å
1029	V	94.1	Very high	91	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	116.8	174.6	-176.6	0	0	0	0	106.8	V991 I992 L993 I994 L1035 E1037	V991-V1029 HydrophobicContact CG1-CG2 4.16Å; I992-V1029 PolarHBondContact O-N 3.46Å; L993-V1029 CarbonylContact C-O 3.05Å; L993-V1029 VanDerWaalsContact CA-O 3.26Å; L993-V1029 WeakPolarHBondContact CA-O 3.42Å; L993-V1029 HydrophobicContact CD2-CB 3.76Å; L993-V1029 HydrophobicContact CD2-CG1 4.49Å; L993-V1029 HydrophobicContact CD2-CG2 4.21Å; I994-V1029 PolarHBondContact N-O 2.98Å; V1029-L1035 HydrophobicContact CG1-CD2 4.15Å; V1029-E1037 HydrophobicContact CG1-CG 4.15Å; V1029-E1037 HydrophobicContact CG2-CG 4.2Å
1030	S	93.9	Very high	90.4	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.021	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	144.2	170.1	64.5	0	0	0	0	109.5	I994 L1036 L1061	I994-S1030 CarbonylContact O-C 3.53Å; I994-S1030 WeakPolarHBondContact O-CA 3.08Å; S1030-L1036 PolarHBondContact N-O 3.4Å; S1030-L1036 PolarHBondContact O-N 3.24Å; S1030-L1036 WeakPolarHBondContact OG-CB 3.32Å; S1030-L1036 PolarHBondContact OG-O 2.86Å; S1030-L1061 WeakPolarHBondContact OG-CD2 3.32Å
1031	F	92.6	Very high	89.4	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	136.8	-177.6	68	-88.7	0	0	0	111.1	L993 I994 D995 T996 L1035 T1067 A1072 L1105	L993-F1031 HydrophobicContact CB-CD1 4.13Å; L993-F1031 HydrophobicContact CB-CE1 3.86Å; I994-F1031 VanDerWaalsContact C-CE1 3.44Å; I994-F1031 VanDerWaalsContact O-CD1 3.32Å; I994-F1031 WeakPolarHBondContact O-CD1 3.43Å; I994-F1031 PolarHBondContact O-N 3.19Å; D995-F1031 HydrophobicContact CB-CE1 4.06Å; D995-F1031 HydrophobicContact CB-CE2 3.85Å; D995-F1031 HydrophobicContact CB-CZ 3.51Å; D995-F1031 VanDerWaalsContact N-CE1 3.34Å; T996-F1031 PolarHBondContact N-O 3.37Å; T996-F1031 PolarHBondContact OG1-O 3.14Å; F1031-L1035 HydrophobicContact CB-CD2 3.58Å; F1031-T1067 HydrophobicContact CD2-CG2 4.45Å; F1031-T1067 HydrophobicContact CE2-CG2 3.83Å; F1031-A1072 HydrophobicContact CB-CB 3.73Å; F1031-A1072 HydrophobicContact CD1-CB 3.6Å; F1031-A1072 HydrophobicContact CD2-CB 4.13Å; F1031-A1072 HydrophobicContact CE1-CB 4.23Å; F1031-A1072 HydrophobicContact CG-CB 3.54Å; F1031-L1105 HydrophobicContact CE1-CD1 3.6Å; F1031-L1105 HydrophobicContact CZ-CD1 3.56Å
1032	S	89.7	Confident	88.9	Confident	7 Å²	7	40.3 Å²	40.3	5%	0.049	23%	0.23	C	C	.	.	S	Bend	trans	-136.9	-114.2	169.2	63.6	0	0	0	0	110.3	T1034 T1064 G1066 C1068	S1032-T1034 PolarHBondContact N-O 3.3Å; S1032-T1064 WeakPolarHBondContact CB-O 3.17Å; S1032-T1064 PolarHBondContact OG-O 2.95Å; S1032-G1066 CarbonylContact C-O 3.44Å; S1032-G1066 WeakPolarHBondContact CA-O 3.48Å; S1032-G1066 WeakPolarHBondContact CB-O 3.45Å; S1032-C1068 VanDerWaalsContact O-CB 3.28Å; S1032-C1068 WeakPolarHBondContact O-CB 3.24Å; S1032-C1068 PolarHBondContact O-N 3.29Å; S1032-C1068 PolarHBondContact O-SG 3.47Å
1033	S	85.4	Confident	88.8	Confident	73 Å²	73	37.8 Å²	37.8	51%	0.51	22%	0.217	S	C	.	.	S	Bend	trans	-77.4	-14.4	162	-64.9	0	0	0	0	112.3	G1066	S1033-G1066 PolarHBondContact N-O 3.05Å; S1033-G1066 PolarHBondContact OG-N 3.35Å
1034	T	86.5	Confident	88.8	Confident	97 Å²	97	31 Å²	31	60%	0.595	19%	0.188	S	C	*	.	S	Bend	trans	-135	156.5	178.1	54.3	0	0	0	0	110	S1032	S1032-T1034 PolarHBondContact N-O 3.3Å
1035	L	89.3	Confident	88.7	Confident	56 Å²	56	33.2 Å²	33.2	29%	0.293	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	135.4	172.4	-61.8	170.4	0	0	0	110.1	V1029 F1031 E1071 A1072 C1075	V1029-L1035 HydrophobicContact CG1-CD2 4.15Å; F1031-L1035 HydrophobicContact CB-CD2 3.58Å; L1035-E1071 HydrophobicContact CD1-CB 4.09Å; L1035-A1072 HydrophobicContact CD2-CB 3.77Å; L1035-C1075 HydrophobicContact CD1-CB 3.97Å
1036	L	91.2	Very high	88.7	Confident	92 Å²	92	32.8 Å²	32.8	48%	0.482	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	112.3	169.6	174.9	79.4	0	0	0	108.1	S1030 W1057 L1061	S1030-L1036 PolarHBondContact N-O 3.4Å; S1030-L1036 PolarHBondContact O-N 3.24Å; S1030-L1036 WeakPolarHBondContact OG-CB 3.32Å; S1030-L1036 PolarHBondContact OG-O 2.86Å; L1036-W1057 HydrophobicContact CD2-CZ2 3.99Å; L1036-W1057 HydrophobicContact CG-CZ2 4Å; L1036-W1057 WeakPolarHBondContact O-CZ2 3.35Å; L1036-L1061 HydrophobicContact CD2-CD2 4.1Å
1037	E	91.7	Very high	88.4	Confident	75 Å²	75	35.6 Å²	35.6	35%	0.35	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	139.2	-179.7	-61.1	170.6	-148.1	0	0	110.1	V1029 H1079	V1029-E1037 HydrophobicContact CG1-CG 4.15Å; V1029-E1037 HydrophobicContact CG2-CG 4.2Å; E1037-H1079 IonicContact OE1-NE2 3.75Å; E1037-H1079 IonicContact OE2-CE1 2.67Å; E1037-H1079 PolarHBondContact OE2-CE1 3.03Å; E1037-H1079 IonicContact OE2-NE2 3.3Å; E1037-H1079 PolarHBondContact OE2-NE2 3.48Å; E1037-H1079 VanDerWaalsContact OE2-NE2 3.11Å
1038	W	92.3	Very high	88.1	Confident	20 Å²	20	38.9 Å²	38.9	8%	0.076	23%	0.228	C	C	.	.	S	Bend	trans	-73.9	-51.4	172.2	170	45.5	0	0	0	111.2	F1026 M1028 V1044 Y1050 D1053 A1054 W1057	F1026-W1038 HydrophobicContact CD2-CZ3 4.03Å; F1026-W1038 HydrophobicContact CE1-CH2 4.2Å; F1026-W1038 HydrophobicContact CE1-CZ3 4.21Å; F1026-W1038 HydrophobicContact CE2-CE3 4.21Å; F1026-W1038 AromaticContact CE2-CH2 3.98Å; F1026-W1038 HydrophobicContact CE2-CH2 3.98Å; F1026-W1038 AromaticContact CE2-CZ3 3.48Å; F1026-W1038 HydrophobicContact CE2-CZ3 3.48Å; F1026-W1038 VanDerWaalsContact CE2-CZ3 3.48Å; F1026-W1038 AromaticContact CZ-CH2 3.61Å; F1026-W1038 HydrophobicContact CZ-CH2 3.61Å; F1026-W1038 AromaticContact CZ-CZ3 3.59Å; F1026-W1038 HydrophobicContact CZ-CZ3 3.59Å; M1028-W1038 HydrophobicContact CB-CB 4.28Å; M1028-W1038 HydrophobicContact CE-CD2 4.02Å; M1028-W1038 HydrophobicContact CE-CE3 3.98Å; M1028-W1038 HydrophobicContact CE-CG 4.3Å; M1028-W1038 HydrophobicContact CG-CE3 4.48Å; M1028-W1038 WeakPolarHBondContact O-CB 3.47Å; M1028-W1038 PolarHBondContact O-N 2.66Å; W1038-V1044 HydrophobicContact CH2-CG2 3.51Å; W1038-V1044 HydrophobicContact CZ3-CG2 3.7Å; W1038-Y1050 HydrophobicContact CH2-CD1 4.39Å; W1038-Y1050 WeakPolarHBondContact CH2-O 3.31Å; W1038-Y1050 HydrophobicContact CZ2-CD1 4.31Å; W1038-Y1050 VanDerWaalsContact CZ2-O 3.25Å; W1038-Y1050 WeakPolarHBondContact CZ2-O 3.48Å; W1038-D1053 HydrophobicContact CZ2-CB 4.35Å; W1038-D1053 PolarHBondContact NE1-OD2 3.37Å; W1038-A1054 HydrophobicContact CD2-CB 4.32Å; W1038-A1054 HydrophobicContact CE3-CB 4.5Å; W1038-A1054 HydrophobicContact CH2-CB 3.78Å; W1038-A1054 HydrophobicContact CZ2-CB 3.58Å; W1038-A1054 HydrophobicContact CZ3-CB 4.25Å; W1038-W1057 HydrophobicContact CB-CD2 3.67Å; W1038-W1057 HydrophobicContact CB-CE3 3.91Å; W1038-W1057 HydrophobicContact CB-CG 4.13Å; W1038-W1057 HydrophobicContact CB-CH2 4.18Å; W1038-W1057 HydrophobicContact CB-CZ2 3.97Å; W1038-W1057 HydrophobicContact CB-CZ3 4.16Å; W1038-W1057 AromaticContact CD1-CD1 3.8Å; W1038-W1057 AromaticContact CD1-CD2 3.94Å; W1038-W1057 AromaticContact CD1-CG 3.47Å; W1038-W1057 VanDerWaalsContact CD1-CG 3.47Å; W1038-W1057 HydrophobicContact CG-CB 4.35Å; W1038-W1057 HydrophobicContact CG-CD2 4.01Å; W1038-W1057 HydrophobicContact CG-CE3 4.28Å; W1038-W1057 HydrophobicContact CG-CG 4.04Å
1039	Q	88.4	Confident	87.8	Confident	38 Å²	38	44 Å²	44	18%	0.178	26%	0.259	C	S	.	.			trans	-121.3	112.7	176.8	-67.1	-68.9	-19.9	0	0	110.6	N1027 S1041 V1044 D1053	N1027-Q1039 PolarHBondContact ND2-O 2.94Å; N1027-Q1039 PolarHBondContact OD1-N 3.21Å; Q1039-S1041 PolarHBondContact O-N 3.12Å; Q1039-V1044 HydrophobicContact CG-CG1 4.41Å; Q1039-D1053 PolarHBondContact NE2-OD2 3.49Å
1040	A	79.9	Confident	87.6	Confident	82 Å²	82	47.6 Å²	47.6	68%	0.678	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-16.8	176.3	0	0	0	0	0	113.1	G1042	A1040-G1042 VanDerWaalsContact C-N 3.27Å; A1040-G1042 PolarHBondContact O-N 3.27Å
1041	S	72.1	Confident	87.5	Confident	78 Å²	78	47.5 Å²	47.5	55%	0.545	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-8.8	-179.6	53.1	0	0	0	0	113.8	Q1039	Q1039-S1041 PolarHBondContact O-N 3.12Å
1042	G	79.3	Confident	87.4	Confident	1 Å²	1	51 Å²	51	1%	0.01	29%	0.288	C	S	.	.			trans	108.3	-153.6	-175.8	0	0	0	0	0	112.2	N1027 A1040	N1027-G1042 PolarHBondContact ND2-O 2.86Å; A1040-G1042 VanDerWaalsContact C-N 3.27Å; A1040-G1042 PolarHBondContact O-N 3.27Å
1043	V	85.3	Confident	87.5	Confident	10 Å²	10	54.3 Å²	54.3	6%	0.061	31%	0.305	C	S	.	.			trans	-83.2	143.7	-179.3	-63.4	0	0	0	0	112.1	I990 V991 F1025 F1026 N1027 M1083	I990-V1043 WeakPolarHBondContact O-CG1 3.35Å; V991-V1043 HydrophobicContact CG2-CG1 3.82Å; F1025-V1043 HydrophobicContact CB-CB 4.43Å; F1025-V1043 HydrophobicContact CB-CG2 4.24Å; F1026-V1043 WeakPolarHBondContact O-CA 3.29Å; N1027-V1043 HydrophobicContact CB-CB 4.38Å; N1027-V1043 HydrophobicContact CB-CG1 3.77Å; V1043-M1083 HydrophobicContact CG2-CE 3.25Å; V1043-M1083 HydrophobicContact CG2-CG 3.64Å; V1043-M1083 HydrophobicContact CG2-SD 3.26Å; V1043-M1083 WeakPolarHBondContact CG2-SD 3.48Å
1044	V	88.7	Confident	87.9	Confident	7 Å²	7	50.8 Å²	50.8	4%	0.042	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	154.7	179.8	-64.1	0	0	0	0	110.3	F1025 F1026 W1038 Q1039 Y1050	F1025-V1044 CarbonylContact C-O 3.27Å; F1025-V1044 WeakPolarHBondContact CA-O 3.35Å; F1026-V1044 PolarHBondContact N-O 2.81Å; F1026-V1044 PolarHBondContact O-N 3.04Å; W1038-V1044 HydrophobicContact CH2-CG2 3.51Å; W1038-V1044 HydrophobicContact CZ3-CG2 3.7Å; Q1039-V1044 HydrophobicContact CG-CG1 4.41Å; V1044-Y1050 HydrophobicContact CB-CD1 4.21Å; V1044-Y1050 HydrophobicContact CB-CD2 4.23Å; V1044-Y1050 HydrophobicContact CB-CE1 4.32Å; V1044-Y1050 HydrophobicContact CB-CE2 4.38Å; V1044-Y1050 HydrophobicContact CB-CG 4.18Å; V1044-Y1050 HydrophobicContact CG1-CD1 4.34Å; V1044-Y1050 HydrophobicContact CG1-CE1 4.05Å; V1044-Y1050 HydrophobicContact CG2-CD1 3.88Å; V1044-Y1050 HydrophobicContact CG2-CD2 4.38Å; V1044-Y1050 HydrophobicContact CG2-CE1 4.42Å; V1044-Y1050 HydrophobicContact CG2-CG 3.87Å
1045	M	88.6	Confident	88.1	Confident	47 Å²	47	47.1 Å²	47.1	23%	0.232	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	136.6	175.5	-163.1	-173.3	-34.7	0	0	109.5	F1025 D1047 Y1092	F1025-M1045 HydrophobicContact CD1-CB 4.04Å; F1025-M1045 HydrophobicContact CE1-CB 3.78Å; F1025-M1045 HydrophobicContact CE1-CE 4.27Å; F1025-M1045 HydrophobicContact CE1-CG 4.22Å; F1025-M1045 HydrophobicContact CE2-CG 4.4Å; F1025-M1045 HydrophobicContact CZ-CB 4.19Å; F1025-M1045 HydrophobicContact CZ-CE 4Å; F1025-M1045 HydrophobicContact CZ-CG 4.13Å; M1045-D1047 PolarHBondContact O-N 2.93Å; M1045-Y1092 HydrophobicContact CB-CE1 4.5Å; M1045-Y1092 HydrophobicContact CE-CD1 3.27Å; M1045-Y1092 HydrophobicContact CE-CE1 3.37Å; M1045-Y1092 HydrophobicContact CE-CG 4.27Å
1046	A	90.5	Very high	88.2	Confident	2 Å²	2	46.6 Å²	46.6	2%	0.017	26%	0.261	C	S	.	.			trans	-70.4	76.5	173	0	0	0	0	0	111.8	L1019 H1020 V1024 F1026	L1019-A1046 HydrophobicContact CB-CB 3.96Å; H1020-A1046 PolarHBondContact CD2-O 2.89Å; H1020-A1046 VanDerWaalsContact CD2-O 3.26Å; V1024-A1046 VanDerWaalsContact O-CB 3.24Å; V1024-A1046 WeakPolarHBondContact O-CB 3.29Å; V1024-A1046 PolarHBondContact O-N 2.94Å; F1026-A1046 HydrophobicContact CD1-CB 3.75Å; F1026-A1046 HydrophobicContact CE1-CB 3.63Å
1047	D	88	Confident	88.3	Confident	59 Å²	59	43.6 Å²	43.6	32%	0.316	24%	0.243	S	C	.	.			trans	-92.1	171.7	164.2	68.6	25.4	0	0	0	111	M1045 V1049 Y1050 C1051	M1045-D1047 PolarHBondContact O-N 2.93Å; D1047-V1049 VanDerWaalsContact C-N 3.28Å; D1047-V1049 PolarHBondContact O-N 3Å; D1047-V1049 PolarHBondContact OD1-N 3.28Å; D1047-Y1050 WeakPolarHBondContact OD1-CB 3.22Å; D1047-Y1050 WeakPolarHBondContact OD1-CD2 3.44Å; D1047-Y1050 PolarHBondContact OD1-N 3.01Å; D1047-Y1050 WeakPolarHBondContact OD2-CD2 3.32Å; D1047-C1051 VanDerWaalsContact O-CB 3.24Å; D1047-C1051 WeakPolarHBondContact O-CB 3.48Å; D1047-C1051 PolarHBondContact O-N 3.14Å; D1047-C1051 PolarHBondContact O-SG 2.96Å
1048	E	87.5	Confident	88.4	Confident	70 Å²	70	40 Å²	40	33%	0.327	23%	0.227	S	C	.	.	H	α-helix	trans	-59.3	-38.3	-175.8	-166.7	-178.8	155.6	0	0	112.7	R701 W1016 C1051 H1052	R701-E1048 WeakPolarHBondContact CG-OE1 3.37Å; W1016-E1048 HydrophobicContact CH2-CG 4.06Å; W1016-E1048 HydrophobicContact CZ3-CG 4.47Å; E1048-C1051 PolarHBondContact O-N 2.79Å; E1048-H1052 PolarHBondContact O-CD2 3.46Å; E1048-H1052 VanDerWaalsContact O-CD2 3.22Å; E1048-H1052 PolarHBondContact O-N 3.32Å
1049	V	88.7	Confident	88.3	Confident	108 Å²	108	42.8 Å²	42.8	66%	0.655	24%	0.243	S	C	*	.	H	α-helix	trans	-68.3	-52.3	-177.6	179.2	0	0	0	0	110.7	D1047 C1051 H1052 D1053	D1047-V1049 VanDerWaalsContact C-N 3.28Å; D1047-V1049 PolarHBondContact O-N 3Å; D1047-V1049 PolarHBondContact OD1-N 3.28Å; V1049-C1051 VanDerWaalsContact C-N 3.28Å; V1049-C1051 PolarHBondContact O-N 2.85Å; V1049-H1052 PolarHBondContact O-N 3.34Å; V1049-D1053 WeakPolarHBondContact O-CB 3.31Å; V1049-D1053 PolarHBondContact O-N 3.36Å
1050	Y	90.6	Very high	88.4	Confident	75 Å²	75	47.8 Å²	47.8	29%	0.294	27%	0.266	S	S	.	.	H	α-helix	trans	-67.6	-29.2	177.6	-74.1	-64.8	0	0	0	112	W1038 V1044 D1047 A1054	W1038-Y1050 HydrophobicContact CH2-CD1 4.39Å; W1038-Y1050 WeakPolarHBondContact CH2-O 3.31Å; W1038-Y1050 HydrophobicContact CZ2-CD1 4.31Å; W1038-Y1050 VanDerWaalsContact CZ2-O 3.25Å; W1038-Y1050 WeakPolarHBondContact CZ2-O 3.48Å; V1044-Y1050 HydrophobicContact CB-CD1 4.21Å; V1044-Y1050 HydrophobicContact CB-CD2 4.23Å; V1044-Y1050 HydrophobicContact CB-CE1 4.32Å; V1044-Y1050 HydrophobicContact CB-CE2 4.38Å; V1044-Y1050 HydrophobicContact CB-CG 4.18Å; V1044-Y1050 HydrophobicContact CG1-CD1 4.34Å; V1044-Y1050 HydrophobicContact CG1-CE1 4.05Å; V1044-Y1050 HydrophobicContact CG2-CD1 3.88Å; V1044-Y1050 HydrophobicContact CG2-CD2 4.38Å; V1044-Y1050 HydrophobicContact CG2-CE1 4.42Å; V1044-Y1050 HydrophobicContact CG2-CG 3.87Å; D1047-Y1050 WeakPolarHBondContact OD1-CB 3.22Å; D1047-Y1050 WeakPolarHBondContact OD1-CD2 3.44Å; D1047-Y1050 PolarHBondContact OD1-N 3.01Å; D1047-Y1050 WeakPolarHBondContact OD2-CD2 3.32Å; Y1050-A1054 WeakPolarHBondContact O-CB 3.44Å; Y1050-A1054 PolarHBondContact O-N 3.47Å
1051	C	91.4	Very high	89	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-67.1	-45	173.6	-71.1	0	0	0	0	111.9	I1015 W1016 D1047 E1048 V1049 A1054 I1055	I1015-C1051 HydrophobicContact CG2-CB 3.59Å; I1015-C1051 WeakPolarHBondContact CG2-SG 3.42Å; W1016-C1051 HydrophobicContact CE3-CB 4.39Å; W1016-C1051 HydrophobicContact CH2-CB 3.65Å; W1016-C1051 HydrophobicContact CZ2-CB 3.95Å; W1016-C1051 HydrophobicContact CZ3-CB 3.9Å; D1047-C1051 VanDerWaalsContact O-CB 3.24Å; D1047-C1051 WeakPolarHBondContact O-CB 3.48Å; D1047-C1051 PolarHBondContact O-N 3.14Å; D1047-C1051 PolarHBondContact O-SG 2.96Å; E1048-C1051 PolarHBondContact O-N 2.79Å; V1049-C1051 VanDerWaalsContact C-N 3.28Å; V1049-C1051 PolarHBondContact O-N 2.85Å; C1051-A1054 PolarHBondContact O-N 3.05Å; C1051-I1055 WeakPolarHBondContact O-CD1 3.32Å; C1051-I1055 WeakPolarHBondContact O-CG1 3.36Å; C1051-I1055 PolarHBondContact O-N 3.08Å
1052	H	90.3	Very high	89.8	Confident	74 Å²	74	48.6 Å²	48.6	34%	0.343	25%	0.245	S	C	.	.	H	α-helix	trans	-64.8	-41.4	174.9	-80.9	-61.9	0	0	0	112.6	W1016 E1048 V1049 I1055 A1056	W1016-H1052 AromaticContact CH2-NE2 3.84Å; W1016-H1052 AromaticContact CZ2-CE1 3.7Å; W1016-H1052 AromaticContact CZ2-ND1 3.96Å; W1016-H1052 AromaticContact CZ2-NE2 3.82Å; E1048-H1052 PolarHBondContact O-CD2 3.46Å; E1048-H1052 VanDerWaalsContact O-CD2 3.22Å; E1048-H1052 PolarHBondContact O-N 3.32Å; V1049-H1052 PolarHBondContact O-N 3.34Å; H1052-I1055 PolarHBondContact O-N 3.36Å; H1052-A1056 PolarHBondContact O-N 2.84Å
1053	D	92.1	Very high	90.2	Very high	76 Å²	76	49.3 Å²	49.3	41%	0.406	25%	0.251	S	S	.	.	H	α-helix	trans	-62.4	-45.3	176.1	-175.8	65.4	0	0	0	111.9	W1038 Q1039 V1049 I1055 A1056 W1057	W1038-D1053 HydrophobicContact CZ2-CB 4.35Å; W1038-D1053 PolarHBondContact NE1-OD2 3.37Å; Q1039-D1053 PolarHBondContact NE2-OD2 3.49Å; V1049-D1053 WeakPolarHBondContact O-CB 3.31Å; V1049-D1053 PolarHBondContact O-N 3.36Å; D1053-I1055 VanDerWaalsContact C-N 3.3Å; D1053-I1055 PolarHBondContact O-N 2.88Å; D1053-A1056 PolarHBondContact O-N 3.19Å; D1053-W1057 PolarHBondContact O-N 3.35Å
1054	A	92.5	Very high	90.2	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-55.9	-43.3	172.8	0	0	0	0	0	112.4	I1015 F1026 M1028 W1038 Y1050 C1051 W1057 I1058	I1015-A1054 HydrophobicContact CD1-CB 3.85Å; F1026-A1054 HydrophobicContact CE2-CB 4.01Å; F1026-A1054 HydrophobicContact CZ-CB 3.87Å; M1028-A1054 HydrophobicContact CE-CB 3.47Å; M1028-A1054 VanDerWaalsContact CE-CB 3.47Å; W1038-A1054 HydrophobicContact CD2-CB 4.32Å; W1038-A1054 HydrophobicContact CE3-CB 4.5Å; W1038-A1054 HydrophobicContact CH2-CB 3.78Å; W1038-A1054 HydrophobicContact CZ2-CB 3.58Å; W1038-A1054 HydrophobicContact CZ3-CB 4.25Å; Y1050-A1054 WeakPolarHBondContact O-CB 3.44Å; Y1050-A1054 PolarHBondContact O-N 3.47Å; C1051-A1054 PolarHBondContact O-N 3.05Å; A1054-W1057 PolarHBondContact O-N 3.29Å; A1054-I1058 VanDerWaalsContact O-CG1 3.26Å; A1054-I1058 WeakPolarHBondContact O-CG1 3.49Å; A1054-I1058 PolarHBondContact O-N 3.29Å
1055	I	92.6	Very high	89.9	Confident	19 Å²	19	55 Å²	55	10%	0.097	30%	0.296	C	S	.	.	H	α-helix	trans	-66.6	-43.3	179.1	-70.9	170.8	0	0	0	111.3	K1012 I1015 W1016 C1051 H1052 D1053 W1057 I1058 D1059	K1012-I1055 HydrophobicContact CB-CG1 4.42Å; K1012-I1055 HydrophobicContact CD-CG2 4.08Å; K1012-I1055 HydrophobicContact CG-CB 4.47Å; K1012-I1055 HydrophobicContact CG-CG1 4.05Å; K1012-I1055 HydrophobicContact CG-CG2 3.98Å; I1015-I1055 HydrophobicContact CD1-CG1 3.99Å; W1016-I1055 HydrophobicContact CZ2-CD1 4.04Å; C1051-I1055 WeakPolarHBondContact O-CD1 3.32Å; C1051-I1055 WeakPolarHBondContact O-CG1 3.36Å; C1051-I1055 PolarHBondContact O-N 3.08Å; H1052-I1055 PolarHBondContact O-N 3.36Å; D1053-I1055 VanDerWaalsContact C-N 3.3Å; D1053-I1055 PolarHBondContact O-N 2.88Å; I1055-W1057 VanDerWaalsContact C-N 3.28Å; I1055-W1057 PolarHBondContact O-N 2.85Å; I1055-I1058 PolarHBondContact O-N 3.39Å; I1055-D1059 PolarHBondContact O-N 3.42Å
1056	A	89.9	Confident	89.6	Confident	45 Å²	45	53.7 Å²	53.7	37%	0.372	30%	0.295	S	S	.	.	H	α-helix	trans	-61.6	-37.9	175.4	0	0	0	0	0	111.8	H1052 D1053 Q1060	H1052-A1056 PolarHBondContact O-N 2.84Å; D1053-A1056 PolarHBondContact O-N 3.19Å; A1056-Q1060 WeakPolarHBondContact O-CG 3.17Å; A1056-Q1060 PolarHBondContact O-NE2 3.4Å
1057	W	93.9	Very high	89.2	Confident	29 Å²	29	54 Å²	54	11%	0.11	30%	0.296	C	S	.	.	H	α-helix	trans	-67.8	-43.2	174.1	-177	88.7	0	0	0	112.4	I994 M1028 L1036 W1038 D1053 A1054 I1055 D1059 Q1060 L1061	I994-W1057 HydrophobicContact CD1-CZ3 4.16Å; M1028-W1057 HydrophobicContact CB-CH2 4.29Å; M1028-W1057 HydrophobicContact CB-CZ3 3.79Å; M1028-W1057 HydrophobicContact CE-CE3 3.92Å; M1028-W1057 HydrophobicContact CE-CZ3 4.21Å; L1036-W1057 HydrophobicContact CD2-CZ2 3.99Å; L1036-W1057 HydrophobicContact CG-CZ2 4Å; L1036-W1057 WeakPolarHBondContact O-CZ2 3.35Å; W1038-W1057 HydrophobicContact CB-CD2 3.67Å; W1038-W1057 HydrophobicContact CB-CE3 3.91Å; W1038-W1057 HydrophobicContact CB-CG 4.13Å; W1038-W1057 HydrophobicContact CB-CH2 4.18Å; W1038-W1057 HydrophobicContact CB-CZ2 3.97Å; W1038-W1057 HydrophobicContact CB-CZ3 4.16Å; W1038-W1057 AromaticContact CD1-CD1 3.8Å; W1038-W1057 AromaticContact CD1-CD2 3.94Å; W1038-W1057 AromaticContact CD1-CG 3.47Å; W1038-W1057 VanDerWaalsContact CD1-CG 3.47Å; W1038-W1057 HydrophobicContact CG-CB 4.35Å; W1038-W1057 HydrophobicContact CG-CD2 4.01Å; W1038-W1057 HydrophobicContact CG-CE3 4.28Å; W1038-W1057 HydrophobicContact CG-CG 4.04Å; D1053-W1057 PolarHBondContact O-N 3.35Å; A1054-W1057 PolarHBondContact O-N 3.29Å; I1055-W1057 VanDerWaalsContact C-N 3.28Å; I1055-W1057 PolarHBondContact O-N 2.85Å; W1057-D1059 VanDerWaalsContact C-N 3.27Å; W1057-D1059 PolarHBondContact O-N 3.41Å; W1057-Q1060 WeakPolarHBondContact O-CB 3.44Å; W1057-Q1060 PolarHBondContact O-N 3.18Å; W1057-Q1060 VanDerWaalsContact O-N 3.12Å; W1057-L1061 HydrophobicContact CD2-CD2 4.42Å; W1057-L1061 HydrophobicContact CE3-CD1 4.35Å; W1057-L1061 HydrophobicContact CE3-CD2 4.3Å; W1057-L1061 HydrophobicContact CE3-CG 4.46Å; W1057-L1061 HydrophobicContact CH2-CD1 4.37Å; W1057-L1061 HydrophobicContact CH2-CD2 3.81Å; W1057-L1061 HydrophobicContact CZ2-CD2 3.91Å; W1057-L1061 HydrophobicContact CZ3-CD1 3.91Å; W1057-L1061 HydrophobicContact CZ3-CD2 4.01Å; W1057-L1061 HydrophobicContact CZ3-CG 4.32Å
1058	I	93	Very high	89	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-57.4	-41.4	174.8	-73.3	162.7	0	0	0	111.1	K1008 L1011 K1012 I1015 M1028 A1054 I1055 Q1060 L1061	K1008-I1058 HydrophobicContact CB-CG2 3.85Å; K1008-I1058 WeakPolarHBondContact CE-O 3.44Å; K1008-I1058 HydrophobicContact CG-CG2 3.69Å; L1011-I1058 HydrophobicContact CB-CD1 3.96Å; K1012-I1058 HydrophobicContact CG-CG2 4.48Å; I1015-I1058 HydrophobicContact CD1-CD1 3.42Å; I1015-I1058 VanDerWaalsContact CD1-CD1 3.42Å; M1028-I1058 HydrophobicContact CE-CD1 3.84Å; M1028-I1058 HydrophobicContact CE-CG1 3.9Å; M1028-I1058 HydrophobicContact SD-CD1 3.81Å; M1028-I1058 HydrophobicContact SD-CG1 4.11Å; A1054-I1058 VanDerWaalsContact O-CG1 3.26Å; A1054-I1058 WeakPolarHBondContact O-CG1 3.49Å; A1054-I1058 PolarHBondContact O-N 3.29Å; I1055-I1058 PolarHBondContact O-N 3.39Å; I1058-Q1060 PolarHBondContact O-N 3.37Å; I1058-L1061 WeakPolarHBondContact O-CB 3.25Å; I1058-L1061 WeakPolarHBondContact O-CG 3.45Å; I1058-L1061 PolarHBondContact O-N 3.43Å
1059	D	90.8	Very high	88.9	Confident	79 Å²	79	48.8 Å²	48.8	42%	0.422	27%	0.272	S	S	.	.	H	α-helix	trans	-62.5	-29.5	179.7	-85.7	-33.5	0	0	0	113.3	K1008 K1012 I1055 W1057	K1008-D1059 PolarHBondContact NZ-O 2.92Å; K1012-D1059 VanDerWaalsContact CE-CG 3.47Å; K1012-D1059 WeakPolarHBondContact CE-OD1 3.4Å; K1012-D1059 WeakPolarHBondContact CE-OD2 3.06Å; K1012-D1059 IonicContact NZ-OD1 3.88Å; K1012-D1059 PolarHBondContact NZ-OD1 3.42Å; K1012-D1059 IonicContact NZ-OD2 2.87Å; K1012-D1059 PolarHBondContact NZ-OD2 3.02Å; I1055-D1059 PolarHBondContact O-N 3.42Å; W1057-D1059 VanDerWaalsContact C-N 3.27Å; W1057-D1059 PolarHBondContact O-N 3.41Å
1060	Q	91.7	Very high	88.7	Confident	143 Å²	143	44.8 Å²	44.8	67%	0.668	25%	0.253	S	S	*	.	H	α-helix	trans	-79.2	-14.7	179.2	-64.7	170.2	32.1	0	0	114	A1056 W1057 I1058 K1062	A1056-Q1060 WeakPolarHBondContact O-CG 3.17Å; A1056-Q1060 PolarHBondContact O-NE2 3.4Å; W1057-Q1060 WeakPolarHBondContact O-CB 3.44Å; W1057-Q1060 PolarHBondContact O-N 3.18Å; W1057-Q1060 VanDerWaalsContact O-N 3.12Å; I1058-Q1060 PolarHBondContact O-N 3.37Å; Q1060-K1062 PolarHBondContact O-N 3.45Å
1061	L	91	Very high	88.5	Confident	7 Å²	7	47.1 Å²	47.1	4%	0.037	27%	0.266	C	S	.	.			trans	-61.5	136.4	-178.4	-62.4	178.6	0	0	0	111.6	I994 T996 K1008 S1030 L1036 W1057 I1058	I994-L1061 HydrophobicContact CD1-CD1 4.12Å; T996-L1061 HydrophobicContact CG2-CB 4.36Å; T996-L1061 HydrophobicContact CG2-CD1 4.41Å; K1008-L1061 WeakPolarHBondContact CE-O 3.41Å; K1008-L1061 PolarHBondContact NZ-O 3.15Å; S1030-L1061 WeakPolarHBondContact OG-CD2 3.32Å; L1036-L1061 HydrophobicContact CD2-CD2 4.1Å; W1057-L1061 HydrophobicContact CD2-CD2 4.42Å; W1057-L1061 HydrophobicContact CE3-CD1 4.35Å; W1057-L1061 HydrophobicContact CE3-CD2 4.3Å; W1057-L1061 HydrophobicContact CE3-CG 4.46Å; W1057-L1061 HydrophobicContact CH2-CD1 4.37Å; W1057-L1061 HydrophobicContact CH2-CD2 3.81Å; W1057-L1061 HydrophobicContact CZ2-CD2 3.91Å; W1057-L1061 HydrophobicContact CZ3-CD1 3.91Å; W1057-L1061 HydrophobicContact CZ3-CD2 4.01Å; W1057-L1061 HydrophobicContact CZ3-CG 4.32Å; I1058-L1061 WeakPolarHBondContact O-CB 3.25Å; I1058-L1061 WeakPolarHBondContact O-CG 3.45Å; I1058-L1061 PolarHBondContact O-N 3.43Å
1062	K	89.2	Confident	88.4	Confident	169 Å²	169	47.1 Å²	47.1	74%	0.735	27%	0.266	S	S	*	.			trans	-131.2	139.3	176	-68	-177.7	-179.5	179.9	0	109.7	Q1060 T1064	Q1060-K1062 PolarHBondContact O-N 3.45Å; K1062-T1064 PolarHBondContact O-N 3.25Å
1063	A	88.2	Confident	88.3	Confident	17 Å²	17	43.7 Å²	43.7	14%	0.14	25%	0.25	C	S	.	.			trans	-75.5	120.6	177.6	0	0	0	0	0	110	T996 S997 D1001 L1004	T996-A1063 CarbonylContact O-C 3.57Å; T996-A1063 WeakPolarHBondContact O-CA 3.35Å; S997-A1063 WeakPolarHBondContact O-CB 3.25Å; D1001-A1063 HydrophobicContact CB-CB 3.58Å; D1001-A1063 WeakPolarHBondContact OD1-CB 3.16Å; L1004-A1063 HydrophobicContact CD2-CB 3.92Å; L1004-A1063 VanDerWaalsContact CD2-N 3.33Å
1064	T	85.9	Confident	88	Confident	86 Å²	86	44.1 Å²	44.1	53%	0.528	25%	0.252	S	S	.	.			trans	-153.6	152.3	179.2	55.5	0	0	0	0	110.3	T996 S1032 K1062	T996-T1064 PolarHBondContact O-N 3.46Å; T996-T1064 VanDerWaalsContact O-O 3.07Å; S1032-T1064 WeakPolarHBondContact CB-O 3.17Å; S1032-T1064 PolarHBondContact OG-O 2.95Å; K1062-T1064 PolarHBondContact O-N 3.25Å
1065	G	82.6	Confident	87.8	Confident	50 Å²	50	44.6 Å²	44.6	52%	0.515	26%	0.256	S	S	.	.	S	Bend	trans	74.7	-165.9	169.2	0	0	0	0	0	116.1	G998	G998-G1065 PolarHBondContact N-O 2.76Å
1066	G	81.2	Confident	87.5	Confident	20 Å²	20	43.7 Å²	43.7	21%	0.206	25%	0.251	C	S	.	.			trans	-90.5	-156.7	178.8	0	0	0	0	0	113.3	S997 S1032 S1033	S997-G1066 WeakPolarHBondContact CB-O 3.38Å; S1032-G1066 CarbonylContact C-O 3.44Å; S1032-G1066 WeakPolarHBondContact CA-O 3.48Å; S1032-G1066 WeakPolarHBondContact CB-O 3.45Å; S1033-G1066 PolarHBondContact N-O 3.05Å; S1033-G1066 PolarHBondContact OG-N 3.35Å
1067	T	81.6	Confident	87.3	Confident	7 Å²	7	42 Å²	42	4%	0.043	24%	0.236	C	C	.	.			trans	-133.6	93.2	-168.1	-49	0	0	0	0	112.9	D995 S997 F1031 T1069 K1110 D1112	D995-T1067 WeakPolarHBondContact OD2-CG2 3.13Å; S997-T1067 WeakPolarHBondContact CB-OG1 3.46Å; S997-T1067 PolarHBondContact OG-OG1 3.28Å; F1031-T1067 HydrophobicContact CD2-CG2 4.45Å; F1031-T1067 HydrophobicContact CE2-CG2 3.83Å; T1067-T1069 VanDerWaalsContact C-N 3.34Å; T1067-T1069 WeakPolarHBondContact CG2-OG1 3.45Å; T1067-T1069 PolarHBondContact O-N 2.59Å; T1067-T1069 VanDerWaalsContact O-N 3.16Å; T1067-K1110 WeakPolarHBondContact CB-O 3.43Å; T1067-D1112 PolarHBondContact N-OD1 2.98Å; T1067-D1112 VanDerWaalsContact N-OD1 3.09Å; T1067-D1112 PolarHBondContact N-OD2 3.3Å; T1067-D1112 PolarHBondContact O-N 2.85Å
1068	C	85.4	Confident	86.8	Confident	18 Å²	18	44.8 Å²	44.8	12%	0.122	25%	0.253	C	S	.	.			trans	-87.4	49.1	-179.2	74.3	0	0	0	0	114.2	S1032 G1070 E1071 A1072	S1032-C1068 VanDerWaalsContact O-CB 3.28Å; S1032-C1068 WeakPolarHBondContact O-CB 3.24Å; S1032-C1068 PolarHBondContact O-N 3.29Å; S1032-C1068 PolarHBondContact O-SG 3.47Å; C1068-G1070 VanDerWaalsContact C-N 3.26Å; C1068-G1070 PolarHBondContact O-N 3.29Å; C1068-E1071 PolarHBondContact O-N 3.27Å; C1068-E1071 VanDerWaalsContact O-N 3.15Å; C1068-A1072 PolarHBondContact O-N 2.92Å
1069	T	85.6	Confident	86.4	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.012	25%	0.254	C	S	.	.	H	α-helix	trans	-52.4	-36.3	-171.7	-45.6	0	0	0	0	114.7	T1067 A1072 I1073 L1105 L1118	T1067-T1069 VanDerWaalsContact C-N 3.34Å; T1067-T1069 WeakPolarHBondContact CG2-OG1 3.45Å; T1067-T1069 PolarHBondContact O-N 2.59Å; T1067-T1069 VanDerWaalsContact O-N 3.16Å; T1069-A1072 PolarHBondContact O-N 2.75Å; T1069-I1073 HydrophobicContact CG2-CD1 4.06Å; T1069-I1073 WeakPolarHBondContact O-CG1 3.34Å; T1069-I1073 PolarHBondContact O-N 3.27Å; T1069-I1073 VanDerWaalsContact O-N 3.14Å; T1069-L1105 HydrophobicContact CG2-CD1 4.2Å; T1069-L1105 HydrophobicContact CG2-CD2 3.86Å; T1069-L1118 HydrophobicContact CG2-CD2 4.14Å
1070	G	83.8	Confident	86	Confident	25 Å²	25	41.5 Å²	41.5	26%	0.258	24%	0.235	S	C	.	.	H	α-helix	trans	-66.8	-41.3	-178.3	0	0	0	0	0	113.8	C1068 I1073 L1074 L1118	C1068-G1070 VanDerWaalsContact C-N 3.26Å; C1068-G1070 PolarHBondContact O-N 3.29Å; G1070-I1073 PolarHBondContact O-N 3.12Å; G1070-L1074 WeakPolarHBondContact O-CG 3.2Å; G1070-L1074 PolarHBondContact O-N 3.28Å; G1070-L1118 VanDerWaalsContact CA-CD1 3.44Å
1071	E	85.7	Confident	85.1	Confident	124 Å²	124	39.8 Å²	39.8	58%	0.579	23%	0.227	S	C	*	.	H	α-helix	trans	-69.3	-37.9	177.3	-63.6	-175.7	-164.8	0	0	111	L1035 C1068 I1073 L1074 C1075	L1035-E1071 HydrophobicContact CD1-CB 4.09Å; C1068-E1071 PolarHBondContact O-N 3.27Å; C1068-E1071 VanDerWaalsContact O-N 3.15Å; E1071-I1073 PolarHBondContact O-N 3.45Å; E1071-L1074 PolarHBondContact O-N 3.14Å; E1071-C1075 WeakPolarHBondContact O-CB 3.48Å; E1071-C1075 PolarHBondContact O-N 3.45Å
1072	A	89.9	Confident	83.9	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.3	-42.8	176	0	0	0	0	0	112.3	L993 F1031 L1035 C1068 T1069 C1075 G1076	L993-A1072 HydrophobicContact CD1-CB 4.26Å; L993-A1072 WeakPolarHBondContact CD1-O 2.84Å; L993-A1072 WeakPolarHBondContact CD2-O 3.21Å; F1031-A1072 HydrophobicContact CB-CB 3.73Å; F1031-A1072 HydrophobicContact CD1-CB 3.6Å; F1031-A1072 HydrophobicContact CD2-CB 4.13Å; F1031-A1072 HydrophobicContact CE1-CB 4.23Å; F1031-A1072 HydrophobicContact CG-CB 3.54Å; L1035-A1072 HydrophobicContact CD2-CB 3.77Å; C1068-A1072 PolarHBondContact O-N 2.92Å; T1069-A1072 PolarHBondContact O-N 2.75Å; A1072-C1075 PolarHBondContact O-N 3.37Å; A1072-G1076 PolarHBondContact O-N 3.07Å
1073	I	87.8	Confident	82.3	Confident	1 Å²	1	35 Å²	35	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-65.1	-40.9	177.7	-68.6	169.3	0	0	0	111.4	L993 T1069 G1070 E1071 G1076 L1077 L1105 I1122 W1126 I1174 L1192	L993-I1073 HydrophobicContact CD1-CB 4.48Å; L993-I1073 HydrophobicContact CD1-CG1 3.95Å; T1069-I1073 HydrophobicContact CG2-CD1 4.06Å; T1069-I1073 WeakPolarHBondContact O-CG1 3.34Å; T1069-I1073 PolarHBondContact O-N 3.27Å; T1069-I1073 VanDerWaalsContact O-N 3.14Å; G1070-I1073 PolarHBondContact O-N 3.12Å; E1071-I1073 PolarHBondContact O-N 3.45Å; I1073-G1076 PolarHBondContact O-N 3.22Å; I1073-L1077 PolarHBondContact O-N 3.37Å; I1073-L1105 HydrophobicContact CD1-CD2 4.26Å; I1073-I1122 HydrophobicContact CD1-CD1 3.56Å; I1073-W1126 HydrophobicContact CG2-CH2 3.65Å; I1073-W1126 HydrophobicContact CG2-CZ3 3.94Å; I1073-I1174 HydrophobicContact CD1-CD1 4.28Å; I1073-I1174 HydrophobicContact CG2-CD1 3.75Å; I1073-L1192 HydrophobicContact CD1-CD2 4.17Å
1074	L	86	Confident	80.6	Confident	85 Å²	85	36.3 Å²	36.3	45%	0.445	21%	0.213	S	C	.	.	H	α-helix	trans	-66.8	-41	176.4	-68.9	173.1	0	0	0	111.9	G1070 E1071 L1077 N1078	G1070-L1074 WeakPolarHBondContact O-CG 3.2Å; G1070-L1074 PolarHBondContact O-N 3.28Å; E1071-L1074 PolarHBondContact O-N 3.14Å; L1074-L1077 HydrophobicContact CD2-CD1 4.43Å; L1074-L1077 WeakPolarHBondContact O-CB 3.4Å; L1074-L1077 PolarHBondContact O-N 2.99Å; L1074-N1078 PolarHBondContact O-N 3.14Å; L1074-N1078 PolarHBondContact O-ND2 3.11Å
1075	C	87.6	Confident	79	Confident	11 Å²	11	35.8 Å²	35.8	7%	0.074	21%	0.213	C	C	.	.	H	α-helix	trans	-59.6	-48.3	172.9	175.4	0	0	0	0	111	L1035 E1071 A1072 L1077 N1078 H1079	L1035-C1075 HydrophobicContact CD1-CB 3.97Å; E1071-C1075 WeakPolarHBondContact O-CB 3.48Å; E1071-C1075 PolarHBondContact O-N 3.45Å; A1072-C1075 PolarHBondContact O-N 3.37Å; C1075-L1077 VanDerWaalsContact C-N 3.31Å; C1075-L1077 PolarHBondContact O-N 3.33Å; C1075-N1078 WeakPolarHBondContact O-CB 3.26Å; C1075-N1078 PolarHBondContact O-N 3.47Å; C1075-H1079 PolarHBondContact O-CD2 3.22Å; C1075-H1079 VanDerWaalsContact O-CD2 3.25Å; C1075-H1079 PolarHBondContact O-N 3.5Å
1076	G	87.1	Confident	77.4	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.8	-38.2	176.2	0	0	0	0	0	113.5	A1072 I1073 H1079 L1080	A1072-G1076 PolarHBondContact O-N 3.07Å; I1073-G1076 PolarHBondContact O-N 3.22Å; G1076-H1079 PolarHBondContact O-N 3.01Å; G1076-L1080 WeakPolarHBondContact O-CG 3.38Å; G1076-L1080 PolarHBondContact O-N 2.74Å
1077	L	85.2	Confident	76	Confident	10 Å²	10	43.1 Å²	43.1	5%	0.052	24%	0.243	C	C	.	.	H	α-helix	trans	-62.7	-45.5	171.6	-82.1	177.4	0	0	0	112.5	I1073 L1074 C1075 H1079 L1080 Q1081 I1103 V1125 W1126 P1172	I1073-L1077 PolarHBondContact O-N 3.37Å; L1074-L1077 HydrophobicContact CD2-CD1 4.43Å; L1074-L1077 WeakPolarHBondContact O-CB 3.4Å; L1074-L1077 PolarHBondContact O-N 2.99Å; C1075-L1077 VanDerWaalsContact C-N 3.31Å; C1075-L1077 PolarHBondContact O-N 3.33Å; L1077-H1079 VanDerWaalsContact C-N 3.32Å; L1077-H1079 PolarHBondContact O-N 2.93Å; L1077-L1080 PolarHBondContact O-N 3.01Å; L1077-Q1081 WeakPolarHBondContact O-CG 3.41Å; L1077-Q1081 PolarHBondContact O-N 2.92Å; L1077-I1103 HydrophobicContact CD2-CD1 3.9Å; L1077-I1103 HydrophobicContact CG-CD1 3.92Å; L1077-V1125 HydrophobicContact CD1-CG1 4.14Å; L1077-W1126 HydrophobicContact CD1-CE3 4.21Å; L1077-W1126 HydrophobicContact CD1-CH2 3.25Å; L1077-W1126 HydrophobicContact CD1-CZ2 4.19Å; L1077-W1126 HydrophobicContact CD1-CZ3 3.27Å; L1077-W1126 HydrophobicContact CD2-CH2 3.59Å; L1077-W1126 HydrophobicContact CD2-CZ2 3.75Å; L1077-W1126 HydrophobicContact CD2-CZ3 4.37Å; L1077-W1126 HydrophobicContact CG-CH2 3.49Å; L1077-W1126 VanDerWaalsContact CG-CH2 3.49Å; L1077-W1126 HydrophobicContact CG-CZ2 4.18Å; L1077-W1126 HydrophobicContact CG-CZ3 4.07Å; L1077-P1172 HydrophobicContact CD2-CG 3.58Å
1078	N	84.7	Confident	74.7	Confident	87 Å²	87	44.5 Å²	44.5	47%	0.465	25%	0.25	S	C	.	.	H	α-helix	trans	-60.1	-43.4	178.4	-72.5	-20.6	0	0	0	110.8	L1074 C1075 L1080 Q1081 I1082	L1074-N1078 PolarHBondContact O-N 3.14Å; L1074-N1078 PolarHBondContact O-ND2 3.11Å; C1075-N1078 WeakPolarHBondContact O-CB 3.26Å; C1075-N1078 PolarHBondContact O-N 3.47Å; N1078-L1080 VanDerWaalsContact C-N 3.29Å; N1078-L1080 PolarHBondContact O-N 2.89Å; N1078-Q1081 CarbonylContact O-C 3.55Å; N1078-Q1081 WeakPolarHBondContact O-CA 3.45Å; N1078-Q1081 PolarHBondContact O-N 3.07Å; N1078-I1082 VanDerWaalsContact O-CG1 3.27Å; N1078-I1082 WeakPolarHBondContact O-CG1 3.32Å; N1078-I1082 PolarHBondContact O-N 3.08Å
1079	H	83.8	Confident	73.1	Confident	7 Å²	7	47.6 Å²	47.6	3%	0.032	26%	0.261	C	S	.	.	H	α-helix	trans	-61.9	-36.4	178.4	-74.7	-148.7	0	0	0	112.3	V991 N1027 E1037 C1075 G1076 L1077 Q1081	V991-H1079 HydrophobicContact CG2-CB 3.92Å; N1027-H1079 PolarHBondContact ND2-ND1 3.03Å; E1037-H1079 IonicContact OE1-NE2 3.75Å; E1037-H1079 IonicContact OE2-CE1 2.67Å; E1037-H1079 PolarHBondContact OE2-CE1 3.03Å; E1037-H1079 IonicContact OE2-NE2 3.3Å; E1037-H1079 PolarHBondContact OE2-NE2 3.48Å; E1037-H1079 VanDerWaalsContact OE2-NE2 3.11Å; C1075-H1079 PolarHBondContact O-CD2 3.22Å; C1075-H1079 VanDerWaalsContact O-CD2 3.25Å; C1075-H1079 PolarHBondContact O-N 3.5Å; G1076-H1079 PolarHBondContact O-N 3.01Å; L1077-H1079 VanDerWaalsContact C-N 3.32Å; L1077-H1079 PolarHBondContact O-N 2.93Å; H1079-Q1081 VanDerWaalsContact C-N 3.32Å
1080	L	81.5	Confident	71.5	Confident	3 Å²	3	56 Å²	56	2%	0.016	30%	0.3	C	S	.	.	H	α-helix	trans	-73.1	-21	173.8	-69.3	175.7	0	0	0	113.7	C989 V991 G1076 L1077 N1078 K1101 I1103 P1172	C989-L1080 WeakPolarHBondContact SG-CD2 3.45Å; V991-L1080 HydrophobicContact CG2-CD2 3.82Å; V991-L1080 HydrophobicContact CG2-CG 3.76Å; G1076-L1080 WeakPolarHBondContact O-CG 3.38Å; G1076-L1080 PolarHBondContact O-N 2.74Å; L1077-L1080 PolarHBondContact O-N 3.01Å; N1078-L1080 VanDerWaalsContact C-N 3.29Å; N1078-L1080 PolarHBondContact O-N 2.89Å; L1080-K1101 HydrophobicContact CB-CD 4.44Å; L1080-K1101 HydrophobicContact CD1-CB 4.41Å; L1080-K1101 HydrophobicContact CD2-CB 4.38Å; L1080-K1101 PolarHBondContact O-NZ 2.87Å; L1080-I1103 HydrophobicContact CD1-CD1 4.13Å; L1080-I1103 HydrophobicContact CD1-CG1 3.55Å; L1080-P1172 HydrophobicContact CD1-CB 4.1Å; L1080-P1172 HydrophobicContact CD1-CG 3.77Å
1081	Q	72.8	Confident	70.1	Confident	107 Å²	107	60.8 Å²	60.8	50%	0.5	32%	0.317	S	S	.	.	H	α-helix	trans	-90.2	-33.1	178.8	-73	179.1	13.4	0	0	113.5	L1077 N1078 H1079 M1083 N1084	L1077-Q1081 WeakPolarHBondContact O-CG 3.41Å; L1077-Q1081 PolarHBondContact O-N 2.92Å; N1078-Q1081 CarbonylContact O-C 3.55Å; N1078-Q1081 WeakPolarHBondContact O-CA 3.45Å; N1078-Q1081 PolarHBondContact O-N 3.07Å; H1079-Q1081 VanDerWaalsContact C-N 3.32Å; Q1081-M1083 PolarHBondContact O-N 3.1Å; Q1081-N1084 PolarHBondContact O-N 3.04Å
1082	I	65.6	Low	68.9	Low	73 Å²	73	57.6 Å²	57.6	37%	0.374	30%	0.3	S	S	.	.	H	α-helix	trans	-54.5	-27	179.8	-73.1	164.2	0	0	0	111.9	N1078 N1084 S1085	N1078-I1082 VanDerWaalsContact O-CG1 3.27Å; N1078-I1082 WeakPolarHBondContact O-CG1 3.32Å; N1078-I1082 PolarHBondContact O-N 3.08Å; I1082-N1084 PolarHBondContact O-N 2.92Å; I1082-N1084 VanDerWaalsContact O-N 3.1Å; I1082-S1085 PolarHBondContact O-N 3.17Å
1083	M	56.4	Low	67.4	Low	2 Å²	2	65.1 Å²	65.1	1%	0.01	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-8.8	175.3	-71.8	-120.1	-77.9	0	0	116.2	C989 V1043 Q1081 S1085 F1096	C989-M1083 HydrophobicContact CB-CE 4.28Å; C989-M1083 WeakPolarHBondContact SG-CE 3.35Å; V1043-M1083 HydrophobicContact CG2-CE 3.25Å; V1043-M1083 HydrophobicContact CG2-CG 3.64Å; V1043-M1083 HydrophobicContact CG2-SD 3.26Å; V1043-M1083 WeakPolarHBondContact CG2-SD 3.48Å; Q1081-M1083 PolarHBondContact O-N 3.1Å; M1083-S1085 VanDerWaalsContact C-N 3.3Å; M1083-F1096 HydrophobicContact CB-CB 4.37Å; M1083-F1096 HydrophobicContact CB-CG 4.4Å; M1083-F1096 HydrophobicContact CE-CB 4.34Å; M1083-F1096 HydrophobicContact CE-CD1 3.12Å; M1083-F1096 HydrophobicContact CE-CE1 3.51Å; M1083-F1096 HydrophobicContact CE-CG 3.9Å; M1083-F1096 HydrophobicContact SD-CD1 3.52Å; M1083-F1096 VanDerWaalsContact SD-CD1 3.52Å; M1083-F1096 HydrophobicContact SD-CD2 4.47Å; M1083-F1096 HydrophobicContact SD-CE1 3.49Å; M1083-F1096 WeakPolarHBondContact SD-CE1 3.46Å; M1083-F1096 HydrophobicContact SD-CE2 4.48Å; M1083-F1096 HydrophobicContact SD-CG 4.02Å; M1083-F1096 HydrophobicContact SD-CZ 4.01Å
1084	N	52.3	Low	66.1	Low	45 Å²	45	67.6 Å²	67.6	24%	0.241	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-2.4	175.1	-72.8	9.2	0	0	0	113.4	Q1081 I1082 N1097 Y1169	Q1081-N1084 PolarHBondContact O-N 3.04Å; I1082-N1084 PolarHBondContact O-N 2.92Å; I1082-N1084 VanDerWaalsContact O-N 3.1Å; N1084-N1097 PolarHBondContact ND2-OD1 2.76Å; N1084-N1097 PolarHBondContact OD1-OD1 2.89Å; N1084-Y1169 WeakPolarHBondContact ND2-CE1 3.28Å; N1084-Y1169 PolarHBondContact ND2-OH 2.82Å
1085	S	53.6	Low	65	Low	74 Å²	74	66.8 Å²	66.8	52%	0.517	35%	0.352	S	S	.	.	S	Bend	trans	-75.4	137.8	172.2	-79.1	0	0	0	0	112	I1082 M1083 N1087 I1088	I1082-S1085 PolarHBondContact O-N 3.17Å; M1083-S1085 VanDerWaalsContact C-N 3.3Å; S1085-N1087 PolarHBondContact O-N 3.02Å; S1085-I1088 PolarHBondContact O-N 3.42Å
1086	S	48.6	Very low	64	Low	91 Å²	91	66.3 Å²	66.3	64%	0.636	35%	0.348	S	S	*	.	H	α-helix	trans	-52.1	-27.9	-171.8	15.8	0	0	0	0	115.6	I1088	S1086-I1088 PolarHBondContact O-N 3.13Å
1087	N	51.7	Low	62.8	Low	134 Å²	134	70.7 Å²	70.7	72%	0.717	37%	0.372	S	S	*	.	H	α-helix	trans	-73	-25.8	-170	-66.8	0.9	0	0	0	114.6	S1085	S1085-N1087 PolarHBondContact O-N 3.02Å
1088	I	54	Low	62	Low	36 Å²	36	77.9 Å²	77.9	19%	0.185	41%	0.405	C	S	.	.	H	α-helix	trans	-86.1	-25.4	-176.7	-55.7	178	0	0	0	111.4	S1085 S1086 E1090 M1091 Y1092 F1096	S1085-I1088 PolarHBondContact O-N 3.42Å; S1086-I1088 PolarHBondContact O-N 3.13Å; I1088-E1090 VanDerWaalsContact C-N 3.27Å; I1088-E1090 PolarHBondContact O-N 2.78Å; I1088-M1091 PolarHBondContact O-N 2.88Å; I1088-M1091 VanDerWaalsContact O-N 3.15Å; I1088-Y1092 HydrophobicContact CG2-CD2 3.9Å; I1088-Y1092 HydrophobicContact CG2-CE2 4.13Å; I1088-F1096 HydrophobicContact CB-CE2 4.32Å; I1088-F1096 HydrophobicContact CG2-CE2 3.64Å; I1088-F1096 HydrophobicContact CG2-CZ 3.76Å
1089	K	51.5	Low	61.6	Low	82 Å²	82	74.8 Å²	74.8	36%	0.357	39%	0.388	S	S	.	.	H	α-helix	trans	-60.9	-35	177.9	-78.4	-175.2	176.5	-179.5	0	112.8	M1091 D1093 F1096	K1089-M1091 VanDerWaalsContact C-N 3.35Å; K1089-D1093 PolarHBondContact O-N 2.75Å; K1089-F1096 HydrophobicContact CG-CD2 4.3Å
1090	E	51.6	Low	61.6	Low	179 Å²	179	76.9 Å²	76.9	84%	0.836	40%	0.403	S	S	*	.	H	α-helix	trans	-73.7	-26.5	178.5	-68.6	-177.1	173.9	0	0	112.7	I1088	I1088-E1090 VanDerWaalsContact C-N 3.27Å; I1088-E1090 PolarHBondContact O-N 2.78Å
1091	M	54.8	Low	61.9	Low	126 Å²	126	78.8 Å²	78.8	62%	0.621	41%	0.412	S	S	*	.	H	α-helix	trans	-79.8	-31.1	-173.4	-164.2	160.3	83.3	0	0	113.6	I1088 K1089	I1088-M1091 PolarHBondContact O-N 2.88Å; I1088-M1091 VanDerWaalsContact O-N 3.15Å; K1089-M1091 VanDerWaalsContact C-N 3.35Å
1092	Y	60.3	Low	62.7	Low	57 Å²	57	73.7 Å²	73.7	22%	0.224	39%	0.388	C	S	.	.	H	α-helix	trans	-119.5	-7.5	-173.8	-63.2	-67.2	0	0	0	115.1	F1025 M1045 I1088 V1094 F1096	F1025-Y1092 HydrophobicContact CE1-CD1 4.47Å; F1025-Y1092 HydrophobicContact CE1-CD2 4.04Å; F1025-Y1092 HydrophobicContact CE1-CE2 4.17Å; F1025-Y1092 HydrophobicContact CE1-CG 4.17Å; F1025-Y1092 HydrophobicContact CZ-CG 4.35Å; M1045-Y1092 HydrophobicContact CB-CE1 4.5Å; M1045-Y1092 HydrophobicContact CE-CD1 3.27Å; M1045-Y1092 HydrophobicContact CE-CE1 3.37Å; M1045-Y1092 HydrophobicContact CE-CG 4.27Å; I1088-Y1092 HydrophobicContact CG2-CD2 3.9Å; I1088-Y1092 HydrophobicContact CG2-CE2 4.13Å; Y1092-V1094 VanDerWaalsContact O-CG2 3.26Å; Y1092-V1094 WeakPolarHBondContact O-CG2 3.38Å; Y1092-V1094 PolarHBondContact O-N 2.86Å; Y1092-F1096 HydrophobicContact CD2-CZ 4.08Å
1093	D	58.9	Low	64.1	Low	158 Å²	158	70.2 Å²	70.2	85%	0.845	37%	0.37	S	S	*	.			trans	51.8	39.9	-174	-159.5	19.3	0	0	0	113.1	K1089	K1089-D1093 PolarHBondContact O-N 2.75Å
1094	V	60.2	Low	65.9	Low	52 Å²	52	70.3 Å²	70.3	32%	0.315	37%	0.37	S	S	.	.			trans	-123	133.7	178.9	-166.2	0	0	0	0	110.9	Y1092 F1096 M1099	Y1092-V1094 VanDerWaalsContact O-CG2 3.26Å; Y1092-V1094 WeakPolarHBondContact O-CG2 3.38Å; Y1092-V1094 PolarHBondContact O-N 2.86Å; V1094-F1096 HydrophobicContact CB-CZ 4.43Å; V1094-F1096 WeakPolarHBondContact O-CD2 3.49Å; V1094-F1096 PolarHBondContact O-N 3.4Å; V1094-F1096 VanDerWaalsContact O-N 3.16Å; V1094-M1099 HydrophobicContact CG1-CE 4.43Å; V1094-M1099 HydrophobicContact CG1-CG 4.24Å; V1094-M1099 HydrophobicContact CG1-SD 3.56Å; V1094-M1099 VanDerWaalsContact CG1-SD 3.56Å
1095	N	63.3	Low	67.8	Low	69 Å²	69	68.2 Å²	68.2	37%	0.369	36%	0.359	S	S	.	.			trans	-83.4	87.6	174.7	-171.9	9.5	0	0	0	111.2	N1097 E1098	N1095-N1097 PolarHBondContact O-N 3.41Å; N1095-E1098 PolarHBondContact ND2-OE1 2.94Å; N1095-E1098 PolarHBondContact O-N 3.05Å
1096	F	65.6	Low	69.7	Low	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-16.1	-179.2	-62.5	-73	0	0	0	116	F1025 M1083 I1088 K1089 Y1092 V1094 E1098 M1099 K1101	F1025-F1096 HydrophobicContact CD1-CE1 4.2Å; F1025-F1096 AromaticContact CE1-CE1 3.98Å; F1025-F1096 HydrophobicContact CE1-CE1 3.98Å; F1025-F1096 HydrophobicContact CE1-CZ 4.24Å; F1025-F1096 HydrophobicContact CE2-CE1 4.45Å; F1025-F1096 HydrophobicContact CZ-CE1 4.11Å; F1025-F1096 HydrophobicContact CZ-CZ 4.44Å; M1083-F1096 HydrophobicContact CB-CB 4.37Å; M1083-F1096 HydrophobicContact CB-CG 4.4Å; M1083-F1096 HydrophobicContact CE-CB 4.34Å; M1083-F1096 HydrophobicContact CE-CD1 3.12Å; M1083-F1096 HydrophobicContact CE-CE1 3.51Å; M1083-F1096 HydrophobicContact CE-CG 3.9Å; M1083-F1096 HydrophobicContact SD-CD1 3.52Å; M1083-F1096 VanDerWaalsContact SD-CD1 3.52Å; M1083-F1096 HydrophobicContact SD-CD2 4.47Å; M1083-F1096 HydrophobicContact SD-CE1 3.49Å; M1083-F1096 WeakPolarHBondContact SD-CE1 3.46Å; M1083-F1096 HydrophobicContact SD-CE2 4.48Å; M1083-F1096 HydrophobicContact SD-CG 4.02Å; M1083-F1096 HydrophobicContact SD-CZ 4.01Å; I1088-F1096 HydrophobicContact CB-CE2 4.32Å; I1088-F1096 HydrophobicContact CG2-CE2 3.64Å; I1088-F1096 HydrophobicContact CG2-CZ 3.76Å; K1089-F1096 HydrophobicContact CG-CD2 4.3Å; Y1092-F1096 HydrophobicContact CD2-CZ 4.08Å; V1094-F1096 HydrophobicContact CB-CZ 4.43Å; V1094-F1096 WeakPolarHBondContact O-CD2 3.49Å; V1094-F1096 PolarHBondContact O-N 3.4Å; V1094-F1096 VanDerWaalsContact O-N 3.16Å; F1096-E1098 VanDerWaalsContact C-N 3.33Å; F1096-M1099 HydrophobicContact CB-SD 4.49Å; F1096-M1099 HydrophobicContact CD1-SD 3.39Å; F1096-M1099 WeakPolarHBondContact CD1-SD 3.01Å; F1096-M1099 HydrophobicContact CE1-SD 3.92Å; F1096-M1099 HydrophobicContact CG-SD 4.24Å; F1096-K1101 WeakPolarHBondContact O-CE 2.96Å
1097	N	63.5	Low	71.7	Confident	92 Å²	92	60.4 Å²	60.4	49%	0.492	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-22.8	175.7	-75	-19	0	0	0	113.2	N1084 N1095	N1084-N1097 PolarHBondContact ND2-OD1 2.76Å; N1084-N1097 PolarHBondContact OD1-OD1 2.89Å; N1095-N1097 PolarHBondContact O-N 3.41Å
1098	E	67.7	Low	73.4	Confident	162 Å²	162	54.7 Å²	54.7	76%	0.757	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-12.8	179.5	-68.6	-178.1	-179.2	0	0	112.8	N1095 F1096	N1095-E1098 PolarHBondContact ND2-OE1 2.94Å; N1095-E1098 PolarHBondContact O-N 3.05Å; F1096-E1098 VanDerWaalsContact C-N 3.33Å
1099	M	75.2	Confident	74.2	Confident	21 Å²	21	53 Å²	53	10%	0.103	27%	0.265	C	S	.	.	S	Bend	trans	-73.1	144.1	-177.1	-63.3	-179.2	74	0	0	112.1	E988 F1025 V1094 F1096 K1101	E988-M1099 HydrophobicContact CB-CB 4.35Å; E988-M1099 HydrophobicContact CB-CE 3.48Å; E988-M1099 VanDerWaalsContact CB-CE 3.48Å; E988-M1099 WeakPolarHBondContact OE2-CA 3.32Å; E988-M1099 WeakPolarHBondContact OE2-CB 3.28Å; E988-M1099 WeakPolarHBondContact OE2-CG 3.13Å; F1025-M1099 HydrophobicContact CD2-CE 3.57Å; F1025-M1099 HydrophobicContact CE2-CE 3.83Å; V1094-M1099 HydrophobicContact CG1-CE 4.43Å; V1094-M1099 HydrophobicContact CG1-CG 4.24Å; V1094-M1099 HydrophobicContact CG1-SD 3.56Å; V1094-M1099 VanDerWaalsContact CG1-SD 3.56Å; F1096-M1099 HydrophobicContact CB-SD 4.49Å; F1096-M1099 HydrophobicContact CD1-SD 3.39Å; F1096-M1099 WeakPolarHBondContact CD1-SD 3.01Å; F1096-M1099 HydrophobicContact CE1-SD 3.92Å; F1096-M1099 HydrophobicContact CG-SD 4.24Å; M1099-K1101 PolarHBondContact O-N 2.83Å
1100	S	84.6	Confident	75.3	Confident	51 Å²	51	54.6 Å²	54.6	36%	0.357	27%	0.272	S	S	.	.			trans	-72.5	123.1	172.5	52.8	0	0	0	0	110.1	E987 E988 C989	E987-S1100 WeakPolarHBondContact CA-OG 3.39Å; E988-S1100 PolarHBondContact N-O 3.26Å; E988-S1100 PolarHBondContact N-OG 3.39Å; C989-S1100 PolarHBondContact N-O 2.9Å
1101	K	88.1	Confident	76.4	Confident	44 Å²	44	47 Å²	47	19%	0.191	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	144.6	-178.6	-61.2	-177.5	-178.5	-170.9	0	110.6	C989 L1080 F1096 M1099 P1172 P1173	C989-K1101 HydrophobicContact CB-CG 4.23Å; C989-K1101 CarbonylContact O-C 3.51Å; C989-K1101 VanDerWaalsContact O-CA 3.22Å; C989-K1101 WeakPolarHBondContact O-CA 3.08Å; L1080-K1101 HydrophobicContact CB-CD 4.44Å; L1080-K1101 HydrophobicContact CD1-CB 4.41Å; L1080-K1101 HydrophobicContact CD2-CB 4.38Å; L1080-K1101 PolarHBondContact O-NZ 2.87Å; F1096-K1101 WeakPolarHBondContact O-CE 2.96Å; M1099-K1101 PolarHBondContact O-N 2.83Å; K1101-P1172 HydrophobicContact CB-CB 4.04Å; K1101-P1173 VanDerWaalsContact O-CD 3.29Å; K1101-P1173 WeakPolarHBondContact O-CD 3.27Å
1102	G	90.3	Very high	77.4	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	152.9	176.5	0	0	0	0	0	113.8	C989 I990 V991	C989-G1102 PolarHBondContact O-N 2.84Å; I990-G1102 VanDerWaalsContact CA-O 3.24Å; I990-G1102 WeakPolarHBondContact CA-O 3.47Å; V991-G1102 PolarHBondContact N-O 3.24Å; V991-G1102 VanDerWaalsContact N-O 3.09Å
1103	I	93.2	Very high	78.2	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131.2	173.8	-61.4	177.2	0	0	0	108.3	V991 L993 L1077 L1080 W1126 P1172 P1173 I1174 H1175	V991-I1103 WeakPolarHBondContact O-CA 2.92Å; L993-I1103 HydrophobicContact CD1-CG2 3.54Å; L993-I1103 HydrophobicContact CG-CG2 3.89Å; L1077-I1103 HydrophobicContact CD2-CD1 3.9Å; L1077-I1103 HydrophobicContact CG-CD1 3.92Å; L1080-I1103 HydrophobicContact CD1-CD1 4.13Å; L1080-I1103 HydrophobicContact CD1-CG1 3.55Å; I1103-W1126 HydrophobicContact CD1-CH2 4.49Å; I1103-P1172 HydrophobicContact CD1-CG 4.31Å; I1103-P1172 HydrophobicContact CG1-CG 4.42Å; I1103-P1173 PolarHBondContact N-O 2.54Å; I1103-I1174 HydrophobicContact CB-CG1 4.4Å; I1103-I1174 HydrophobicContact CG2-CG2 4.45Å; I1103-I1174 CarbonylContact O-C 3.18Å; I1103-I1174 WeakPolarHBondContact O-CA 3.42Å; I1103-H1175 PolarHBondContact O-N 2.89Å
1104	Y	94.4	Very high	79.2	Confident	4 Å²	4	42.9 Å²	42.9	2%	0.016	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	107.2	178.3	-76.6	-100	0	0	0	109.4	I985 E987 I990 V991 I992 L993 H1175 I1177 R1199	I985-Y1104 HydrophobicContact CD1-CD1 3.69Å; I985-Y1104 HydrophobicContact CD1-CD2 4.35Å; I985-Y1104 HydrophobicContact CD1-CE1 3.15Å; I985-Y1104 HydrophobicContact CD1-CE2 3.89Å; I985-Y1104 HydrophobicContact CD1-CG 4.27Å; I985-Y1104 HydrophobicContact CG2-CE2 4.33Å; E987-Y1104 PolarHBondContact OE2-OH 3.34Å; I990-Y1104 HydrophobicContact CB-CD2 4.14Å; I990-Y1104 HydrophobicContact CB-CE2 4.31Å; I990-Y1104 HydrophobicContact CD1-CD2 4.4Å; I990-Y1104 HydrophobicContact CG2-CD2 4.09Å; I990-Y1104 HydrophobicContact CG2-CE2 3.74Å; V991-Y1104 PolarHBondContact O-N 3.18Å; I992-Y1104 CarbonylContact C-O 3.59Å; I992-Y1104 WeakPolarHBondContact CA-O 3.48Å; L993-Y1104 PolarHBondContact N-O 3.08Å; Y1104-H1175 CarbonylContact C-O 3.58Å; Y1104-H1175 WeakPolarHBondContact CA-O 3.35Å; Y1104-H1175 HydrophobicContact CD1-CB 3.71Å; Y1104-H1175 HydrophobicContact CE1-CB 3.7Å; Y1104-H1175 AromaticContact CE1-CG 3.8Å; Y1104-H1175 AromaticContact CE2-CD2 3.66Å; Y1104-H1175 HydrophobicContact CG-CB 4.18Å; Y1104-H1175 AromaticContact CZ-CD2 3.57Å; Y1104-H1175 AromaticContact CZ-CG 3.81Å; Y1104-I1177 HydrophobicContact CD1-CD1 4.06Å; Y1104-R1199 PolarHBondContact OH-NH2 3.18Å
1105	L	93.8	Very high	80.1	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	114.2	-177.9	177	66.2	0	0	0	110.7	L993 F1031 T1069 I1073 T1107 I1174 H1175 T1176 I1177 L1189 L1192	L993-L1105 HydrophobicContact CB-CD1 3.82Å; L993-L1105 HydrophobicContact CD1-CD1 4.22Å; F1031-L1105 HydrophobicContact CE1-CD1 3.6Å; F1031-L1105 HydrophobicContact CZ-CD1 3.56Å; T1069-L1105 HydrophobicContact CG2-CD1 4.2Å; T1069-L1105 HydrophobicContact CG2-CD2 3.86Å; I1073-L1105 HydrophobicContact CD1-CD2 4.26Å; L1105-T1107 HydrophobicContact CD1-CG2 4.44Å; L1105-T1107 HydrophobicContact CD2-CG2 4.12Å; L1105-T1107 HydrophobicContact CG-CG2 3.92Å; L1105-I1174 HydrophobicContact CB-CG2 4.24Å; L1105-H1175 PolarHBondContact N-O 3.25Å; L1105-T1176 HydrophobicContact CB-CG2 4.38Å; L1105-T1176 HydrophobicContact CD2-CG2 4.22Å; L1105-T1176 CarbonylContact O-C 2.65Å; L1105-T1176 WeakPolarHBondContact O-CA 3.06Å; L1105-I1177 PolarHBondContact O-N 2.85Å; L1105-L1189 HydrophobicContact CD2-CD2 4.43Å; L1105-L1192 HydrophobicContact CD2-CD2 3.94Å
1106	I	93.3	Very high	80.9	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	117.2	175.8	-57.7	161.3	0	0	0	108	F982 I992 L993 I994 D995 I1007 L1011 I1177 Y1179	F982-I1106 HydrophobicContact CD1-CD1 4.12Å; F982-I1106 HydrophobicContact CD1-CG1 4.41Å; F982-I1106 HydrophobicContact CE1-CD1 3.6Å; F982-I1106 HydrophobicContact CE1-CG1 4.19Å; I992-I1106 HydrophobicContact CG2-CD1 3.66Å; L993-I1106 PolarHBondContact O-N 3.11Å; I994-I1106 HydrophobicContact CG1-CD1 4.33Å; D995-I1106 WeakPolarHBondContact CB-O 3.39Å; D995-I1106 PolarHBondContact N-O 3.43Å; I1007-I1106 HydrophobicContact CD1-CG2 4.18Å; I1007-I1106 HydrophobicContact CG2-CG2 4.47Å; L1011-I1106 HydrophobicContact CD2-CD1 3.81Å; L1011-I1106 HydrophobicContact CG-CD1 4.5Å; I1106-I1177 HydrophobicContact CG1-CB 4.14Å; I1106-I1177 HydrophobicContact CG1-CD1 3.95Å; I1106-I1177 HydrophobicContact CG1-CG1 4.34Å; I1106-Y1179 HydrophobicContact CG2-CD2 3.79Å; I1106-Y1179 HydrophobicContact CG2-CE2 3.68Å
1107	T	90.5	Very high	81.6	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	158.1	-176.2	177.7	0	0	0	0	111.5	D995 L1105 G1109 I1177 S1178 Y1179 L1189	D995-T1107 VanDerWaalsContact OD2-CB 3.31Å; D995-T1107 WeakPolarHBondContact OD2-CB 3.39Å; D995-T1107 PolarHBondContact OD2-OG1 3.38Å; L1105-T1107 HydrophobicContact CD1-CG2 4.44Å; L1105-T1107 HydrophobicContact CD2-CG2 4.12Å; L1105-T1107 HydrophobicContact CG-CG2 3.92Å; T1107-G1109 PolarHBondContact OG1-N 3Å; T1107-I1177 PolarHBondContact N-O 3Å; T1107-I1177 VanDerWaalsContact N-O 3.1Å; T1107-S1178 WeakPolarHBondContact O-CA 3.34Å; T1107-Y1179 PolarHBondContact O-N 2.58Å; T1107-Y1179 VanDerWaalsContact O-N 3.14Å; T1107-L1189 HydrophobicContact CG2-CD1 4.11Å; T1107-L1189 HydrophobicContact CG2-CD2 3.57Å; T1107-L1189 HydrophobicContact CG2-CG 4.47Å
1108	D	86.1	Confident	82.6	Confident	13 Å²	13	41.8 Å²	41.8	7%	0.07	24%	0.237	C	C	.	.			trans	-80.7	-0.9	166	67.8	1.2	0	0	0	112.8	S999 M1000 K1110 T1180 A1185	S999-D1108 WeakPolarHBondContact CB-OD2 3.32Å; S999-D1108 PolarHBondContact OG-OD2 2.87Å; M1000-D1108 HydrophobicContact SD-CB 3.57Å; M1000-D1108 VanDerWaalsContact SD-CB 3.57Å; M1000-D1108 PolarHBondContact SD-N 3Å; M1000-D1108 VanDerWaalsContact SD-N 3.36Å; D1108-K1110 PolarHBondContact OD1-N 2.92Å; D1108-T1180 WeakPolarHBondContact O-CB 3.28Å; D1108-T1180 WeakPolarHBondContact O-CG2 3.46Å; D1108-A1185 WeakPolarHBondContact O-CB 3.39Å
1109	G	70.7	Confident	83.2	Confident	1 Å²	1	35 Å²	35	1%	0.01	21%	0.206	C	C	.	.	S	Bend	trans	81.2	17.1	165.7	0	0	0	0	0	116.1	T1107 P1111	T1107-G1109 PolarHBondContact OG1-N 3Å; G1109-P1111 VanDerWaalsContact C-CD 3.5Å; G1109-P1111 WeakPolarHBondContact O-CD 3.4Å
1110	K	75.2	Confident	83.5	Confident	115 Å²	115	40.1 Å²	40.1	50%	0.5	23%	0.227	S	C	.	.			trans	-107.5	83.3	174.6	-69	-176.5	-179.4	177.1	0	111.8	T1067 D1108 D1182	T1067-K1110 WeakPolarHBondContact CB-O 3.43Å; D1108-K1110 PolarHBondContact OD1-N 2.92Å; K1110-D1182 WeakPolarHBondContact CE-OD2 3.49Å; K1110-D1182 IonicContact NZ-OD2 3.5Å; K1110-D1182 PolarHBondContact NZ-OD2 3.13Å
1111	P	74.8	Confident	83.4	Confident	19 Å²	19	41.4 Å²	41.4	12%	0.123	23%	0.23	C	C	.	.			trans	-66.7	150.5	175.3	27.8	-34.2	0	0	0	111.8	G1109 V1113 L1118 F1188	G1109-P1111 VanDerWaalsContact C-CD 3.5Å; G1109-P1111 WeakPolarHBondContact O-CD 3.4Å; P1111-V1113 WeakPolarHBondContact CG-O 3.37Å; P1111-V1113 PolarHBondContact O-N 2.81Å; P1111-L1118 HydrophobicContact CB-CD2 3.96Å; P1111-L1118 HydrophobicContact CG-CD2 4.1Å; P1111-F1188 HydrophobicContact CG-CE1 4.26Å; P1111-F1188 HydrophobicContact CG-CZ 4.31Å
1112	D	76	Confident	83	Confident	107 Å²	107	39.8 Å²	39.8	57%	0.572	22%	0.223	S	C	*	.	S	Bend	trans	-64.2	-22.4	174.6	-68.3	-20.5	0	0	0	112.6	T1067	T1067-D1112 PolarHBondContact N-OD1 2.98Å; T1067-D1112 VanDerWaalsContact N-OD1 3.09Å; T1067-D1112 PolarHBondContact N-OD2 3.3Å; T1067-D1112 PolarHBondContact O-N 2.85Å
1113	V	77.7	Confident	82.4	Confident	80 Å²	80	42.5 Å²	42.5	49%	0.485	24%	0.238	S	C	.	.	S	Bend	trans	-100.4	144.8	177.3	-176.3	0	0	0	0	109.8	P1111 C1115	P1111-V1113 WeakPolarHBondContact CG-O 3.37Å; P1111-V1113 PolarHBondContact O-N 2.81Å; V1113-C1115 PolarHBondContact O-N 3.29Å
1114	S	79.4	Confident	81.7	Confident	69 Å²	69	47.3 Å²	47.3	48%	0.483	26%	0.261	S	S	.	.			trans	-50.4	130.4	177.4	69.2	0	0	0	0	112.9	S1116 S1117 L1118	S1114-S1116 PolarHBondContact O-N 3Å; S1114-S1116 VanDerWaalsContact O-N 3.08Å; S1114-S1117 WeakPolarHBondContact O-CB 3.38Å; S1114-S1117 PolarHBondContact O-N 3.33Å; S1114-S1117 WeakPolarHBondContact OG-CB 3.34Å; S1114-S1117 PolarHBondContact OG-N 3.49Å; S1114-L1118 PolarHBondContact O-N 3.29Å
1115	C	79.4	Confident	80.8	Confident	49 Å²	49	50.2 Å²	50.2	33%	0.331	28%	0.278	S	S	.	.	H	α-helix	trans	-53	-33.6	-178.4	-64.9	0	0	0	0	113.5	V1113 I1119 F1188	V1113-C1115 PolarHBondContact O-N 3.29Å; C1115-I1119 WeakPolarHBondContact O-CB 3.23Å; C1115-I1119 WeakPolarHBondContact O-CG1 3.2Å; C1115-I1119 PolarHBondContact O-N 3.45Å; C1115-F1188 HydrophobicContact CB-CB 4.41Å; C1115-F1188 HydrophobicContact CB-CD2 3.47Å; C1115-F1188 VanDerWaalsContact CB-CD2 3.47Å; C1115-F1188 HydrophobicContact CB-CE2 3.9Å; C1115-F1188 HydrophobicContact CB-CG 3.98Å
1116	S	78.7	Confident	79.9	Confident	89 Å²	89	51.7 Å²	51.7	62%	0.622	28%	0.284	S	S	*	.	H	α-helix	trans	-68.1	-42.4	176.4	48.6	0	0	0	0	112.6	S1114 K1120	S1114-S1116 PolarHBondContact O-N 3Å; S1114-S1116 VanDerWaalsContact O-N 3.08Å; S1116-K1120 WeakPolarHBondContact O-CB 3.2Å; S1116-K1120 PolarHBondContact O-N 3.44Å
1117	S	81.6	Confident	78.6	Confident	43 Å²	43	56.6 Å²	56.6	30%	0.301	31%	0.31	S	S	.	.	H	α-helix	trans	-67.1	-41.7	175.9	-169.4	0	0	0	0	111.1	S1114 K1120 N1121	S1114-S1117 WeakPolarHBondContact O-CB 3.38Å; S1114-S1117 PolarHBondContact O-N 3.33Å; S1114-S1117 WeakPolarHBondContact OG-CB 3.34Å; S1114-S1117 PolarHBondContact OG-N 3.49Å; S1117-K1120 PolarHBondContact O-N 2.89Å; S1117-N1121 PolarHBondContact O-N 3.44Å; S1117-N1121 PolarHBondContact O-OD1 3.17Å
1118	L	83.3	Confident	76.8	Confident	9 Å²	9	62.8 Å²	62.8	5%	0.047	34%	0.337	C	S	.	.	H	α-helix	trans	-64.1	-45.7	178.7	-176.7	59.3	0	0	0	111.8	T1069 G1070 P1111 S1114 K1120 N1121 I1122 F1188	T1069-L1118 HydrophobicContact CG2-CD2 4.14Å; G1070-L1118 VanDerWaalsContact CA-CD1 3.44Å; P1111-L1118 HydrophobicContact CB-CD2 3.96Å; P1111-L1118 HydrophobicContact CG-CD2 4.1Å; S1114-L1118 PolarHBondContact O-N 3.29Å; L1118-K1120 VanDerWaalsContact C-N 3.31Å; L1118-K1120 PolarHBondContact O-N 2.88Å; L1118-N1121 PolarHBondContact O-N 3.34Å; L1118-I1122 HydrophobicContact CD1-CD1 3.9Å; L1118-I1122 HydrophobicContact CD1-CG1 4.34Å; L1118-I1122 HydrophobicContact CG-CD1 3.93Å; L1118-I1122 WeakPolarHBondContact O-CB 3.23Å; L1118-I1122 VanDerWaalsContact O-CG1 3.28Å; L1118-I1122 WeakPolarHBondContact O-CG1 3.39Å; L1118-I1122 PolarHBondContact O-N 3.08Å; L1118-F1188 HydrophobicContact CD2-CE2 4.32Å; L1118-F1188 HydrophobicContact CD2-CZ 3.7Å; L1118-F1188 HydrophobicContact CG-CZ 4.47Å
1119	I	81.5	Confident	74.6	Confident	19 Å²	19	66.3 Å²	66.3	10%	0.097	36%	0.356	C	S	.	.	H	α-helix	trans	-58.4	-43.4	173.4	-79.3	166.6	0	0	0	111.2	C1115 I1122 D1123 F1188 K1191 L1195	C1115-I1119 WeakPolarHBondContact O-CB 3.23Å; C1115-I1119 WeakPolarHBondContact O-CG1 3.2Å; C1115-I1119 PolarHBondContact O-N 3.45Å; I1119-I1122 PolarHBondContact O-N 3.03Å; I1119-D1123 WeakPolarHBondContact O-CB 3.49Å; I1119-D1123 PolarHBondContact O-N 3.3Å; I1119-F1188 HydrophobicContact CD1-CD2 3.75Å; I1119-F1188 HydrophobicContact CD1-CE2 4.02Å; I1119-F1188 HydrophobicContact CG1-CD2 4.18Å; I1119-F1188 HydrophobicContact CG1-CE2 3.91Å; I1119-K1191 HydrophobicContact CD1-CB 4.24Å; I1119-K1191 HydrophobicContact CD1-CD 3.72Å; I1119-K1191 HydrophobicContact CD1-CG 3.92Å; I1119-L1195 HydrophobicContact CB-CD1 4.42Å; I1119-L1195 HydrophobicContact CG1-CD1 4.27Å; I1119-L1195 HydrophobicContact CG2-CD1 3.45Å; I1119-L1195 VanDerWaalsContact CG2-CD1 3.45Å
1120	K	81.9	Confident	73.1	Confident	129 Å²	129	70.5 Å²	70.5	56%	0.561	38%	0.383	S	S	*	.	H	α-helix	trans	-63.6	-45.7	-179.8	-169.8	-173	178.6	-147.2	0	111.5	S1116 S1117 L1118 I1122 D1123 E1124	S1116-K1120 WeakPolarHBondContact O-CB 3.2Å; S1116-K1120 PolarHBondContact O-N 3.44Å; S1117-K1120 PolarHBondContact O-N 2.89Å; L1118-K1120 VanDerWaalsContact C-N 3.31Å; L1118-K1120 PolarHBondContact O-N 2.88Å; K1120-I1122 VanDerWaalsContact C-N 3.34Å; K1120-I1122 PolarHBondContact O-N 3.25Å; K1120-D1123 PolarHBondContact O-N 3.22Å; K1120-E1124 WeakPolarHBondContact CE-OE1 2.98Å; K1120-E1124 IonicContact NZ-OE1 2.76Å; K1120-E1124 WeakPolarHBondContact O-CB 3.3Å; K1120-E1124 VanDerWaalsContact O-CG 3.31Å; K1120-E1124 WeakPolarHBondContact O-CG 3.3Å; K1120-E1124 PolarHBondContact O-N 3.26Å
1121	N	80.8	Confident	71.4	Confident	77 Å²	77	70.6 Å²	70.6	41%	0.412	39%	0.389	S	S	.	.	H	α-helix	trans	-62.1	-42.5	177.9	-67.9	-3.4	0	0	0	111.3	S1117 L1118 E1124 V1125	S1117-N1121 PolarHBondContact O-N 3.44Å; S1117-N1121 PolarHBondContact O-OD1 3.17Å; L1118-N1121 PolarHBondContact O-N 3.34Å; N1121-E1124 PolarHBondContact O-N 2.85Å; N1121-V1125 VanDerWaalsContact O-CG2 3.3Å; N1121-V1125 WeakPolarHBondContact O-CG2 3.16Å; N1121-V1125 PolarHBondContact O-N 3.44Å; N1121-V1125 VanDerWaalsContact O-N 3.1Å
1122	I	79.7	Confident	69.5	Low	10 Å²	10	73.8 Å²	73.8	5%	0.051	41%	0.412	C	S	.	.	H	α-helix	trans	-68.4	-41.9	178	-67.4	170.5	0	0	0	111	I1073 L1118 I1119 K1120 E1124 V1125 W1126 I1174 L1192 T1196	I1073-I1122 HydrophobicContact CD1-CD1 3.56Å; L1118-I1122 HydrophobicContact CD1-CD1 3.9Å; L1118-I1122 HydrophobicContact CD1-CG1 4.34Å; L1118-I1122 HydrophobicContact CG-CD1 3.93Å; L1118-I1122 WeakPolarHBondContact O-CB 3.23Å; L1118-I1122 VanDerWaalsContact O-CG1 3.28Å; L1118-I1122 WeakPolarHBondContact O-CG1 3.39Å; L1118-I1122 PolarHBondContact O-N 3.08Å; I1119-I1122 PolarHBondContact O-N 3.03Å; K1120-I1122 VanDerWaalsContact C-N 3.34Å; K1120-I1122 PolarHBondContact O-N 3.25Å; I1122-E1124 VanDerWaalsContact C-N 3.34Å; I1122-E1124 PolarHBondContact O-N 3.4Å; I1122-V1125 PolarHBondContact O-N 2.89Å; I1122-W1126 HydrophobicContact CG2-CD2 4.14Å; I1122-W1126 HydrophobicContact CG2-CE3 3.61Å; I1122-W1126 HydrophobicContact CG2-CZ3 3.88Å; I1122-W1126 WeakPolarHBondContact O-CB 3.49Å; I1122-W1126 PolarHBondContact O-N 2.78Å; I1122-I1174 HydrophobicContact CG2-CD1 4.4Å; I1122-L1192 HydrophobicContact CD1-CD1 3.53Å; I1122-L1192 HydrophobicContact CG2-CD1 4.04Å; I1122-T1196 HydrophobicContact CG2-CG2 4.21Å
1123	D	79.2	Confident	67.5	Low	58 Å²	58	73.6 Å²	73.6	31%	0.31	41%	0.411	S	S	.	.	H	α-helix	trans	-63.6	-39.2	177.4	-166.4	62	0	0	0	111.5	I1119 K1120 N1127	I1119-D1123 WeakPolarHBondContact O-CB 3.49Å; I1119-D1123 PolarHBondContact O-N 3.3Å; K1120-D1123 PolarHBondContact O-N 3.22Å; D1123-N1127 WeakPolarHBondContact O-CB 3.29Å; D1123-N1127 PolarHBondContact O-N 2.58Å; D1123-N1127 PolarHBondContact O-ND2 2.9Å; D1123-N1127 PolarHBondContact OD1-ND2 3.25Å; D1123-N1127 PolarHBondContact OD2-ND2 3.4Å
1124	E	77.9	Confident	65.5	Low	101 Å²	101	75.8 Å²	75.8	47%	0.472	42%	0.424	S	S	.	.	H	α-helix	trans	-61.9	-41.7	172.8	-75.2	174.2	-168.3	0	0	111.8	K1120 N1121 I1122 F1128	K1120-E1124 WeakPolarHBondContact CE-OE1 2.98Å; K1120-E1124 IonicContact NZ-OE1 2.76Å; K1120-E1124 WeakPolarHBondContact O-CB 3.3Å; K1120-E1124 VanDerWaalsContact O-CG 3.31Å; K1120-E1124 WeakPolarHBondContact O-CG 3.3Å; K1120-E1124 PolarHBondContact O-N 3.26Å; N1121-E1124 PolarHBondContact O-N 2.85Å; I1122-E1124 VanDerWaalsContact C-N 3.34Å; I1122-E1124 PolarHBondContact O-N 3.4Å; E1124-F1128 WeakPolarHBondContact O-CB 3.38Å; E1124-F1128 PolarHBondContact O-N 2.64Å
1125	V	75.2	Confident	63.2	Low	64 Å²	64	79 Å²	79	39%	0.388	44%	0.436	S	S	.	.	H	α-helix	trans	-72.4	-41	177.6	173.5	0	0	0	0	112.2	L1077 N1121 I1122	L1077-V1125 HydrophobicContact CD1-CG1 4.14Å; N1121-V1125 VanDerWaalsContact O-CG2 3.3Å; N1121-V1125 WeakPolarHBondContact O-CG2 3.16Å; N1121-V1125 PolarHBondContact O-N 3.44Å; N1121-V1125 VanDerWaalsContact O-N 3.1Å; I1122-V1125 PolarHBondContact O-N 2.89Å
1126	W	74.6	Confident	61	Low	31 Å²	31	83.9 Å²	83.9	12%	0.117	46%	0.458	C	S	.	.	H	α-helix	trans	-77.6	-31.6	-177.6	-101.9	-111.2	0	0	0	113.5	I1073 L1077 I1103 I1122 C1171 P1172 I1174 T1196	I1073-W1126 HydrophobicContact CG2-CH2 3.65Å; I1073-W1126 HydrophobicContact CG2-CZ3 3.94Å; L1077-W1126 HydrophobicContact CD1-CE3 4.21Å; L1077-W1126 HydrophobicContact CD1-CH2 3.25Å; L1077-W1126 HydrophobicContact CD1-CZ2 4.19Å; L1077-W1126 HydrophobicContact CD1-CZ3 3.27Å; L1077-W1126 HydrophobicContact CD2-CH2 3.59Å; L1077-W1126 HydrophobicContact CD2-CZ2 3.75Å; L1077-W1126 HydrophobicContact CD2-CZ3 4.37Å; L1077-W1126 HydrophobicContact CG-CH2 3.49Å; L1077-W1126 VanDerWaalsContact CG-CH2 3.49Å; L1077-W1126 HydrophobicContact CG-CZ2 4.18Å; L1077-W1126 HydrophobicContact CG-CZ3 4.07Å; I1103-W1126 HydrophobicContact CD1-CH2 4.49Å; I1122-W1126 HydrophobicContact CG2-CD2 4.14Å; I1122-W1126 HydrophobicContact CG2-CE3 3.61Å; I1122-W1126 HydrophobicContact CG2-CZ3 3.88Å; I1122-W1126 WeakPolarHBondContact O-CB 3.49Å; I1122-W1126 PolarHBondContact O-N 2.78Å; W1126-C1171 HydrophobicContact CD2-CB 4Å; W1126-C1171 HydrophobicContact CG-CB 3.73Å; W1126-C1171 VanDerWaalsContact NE1-CB 3.34Å; W1126-P1172 PolarHBondContact NE1-O 3.27Å; W1126-I1174 HydrophobicContact CH2-CD1 3.58Å; W1126-I1174 HydrophobicContact CH2-CG1 4.07Å; W1126-I1174 HydrophobicContact CZ2-CD1 3.59Å; W1126-I1174 HydrophobicContact CZ2-CG1 3.61Å; W1126-I1174 HydrophobicContact CZ3-CD1 4.29Å; W1126-T1196 HydrophobicContact CD2-CG2 4.06Å; W1126-T1196 HydrophobicContact CG-CG2 4.04Å; W1126-T1196 HydrophobicContact CZ2-CG2 4.37Å
1127	N	67.1	Low	58.9	Low	105 Å²	105	88.6 Å²	88.6	56%	0.561	47%	0.47	S	S	*	.	S	Bend	trans	-92.7	2.1	177.5	-66.2	-34.7	0	0	0	113.3	D1123 N1129	D1123-N1127 WeakPolarHBondContact O-CB 3.29Å; D1123-N1127 PolarHBondContact O-N 2.58Å; D1123-N1127 PolarHBondContact O-ND2 2.9Å; D1123-N1127 PolarHBondContact OD1-ND2 3.25Å; D1123-N1127 PolarHBondContact OD2-ND2 3.4Å; N1127-N1129 VanDerWaalsContact C-N 3.32Å; N1127-N1129 PolarHBondContact O-N 3.46Å
1128	F	52.2	Low	56.6	Low	130 Å²	130	93.2 Å²	93.2	57%	0.57	49%	0.491	S	S	*	.			trans	-62.8	96.7	179.5	-148.6	-93.1	0	0	0	109.8	E1124 P1130	E1124-F1128 WeakPolarHBondContact O-CB 3.38Å; E1124-F1128 PolarHBondContact O-N 2.64Å; F1128-P1130 WeakPolarHBondContact O-CD 3.26Å
1129	N	39.9	Very low	54.3	Low	88 Å²	88	102.4 Å²	102.4	47%	0.471	53%	0.531	S	S	.	.			trans	-84.1	113.5	173.3	-144.6	7.9	0	0	0	105.4	N1127 D1131 S1132	N1127-N1129 VanDerWaalsContact C-N 3.32Å; N1127-N1129 PolarHBondContact O-N 3.46Å; N1129-D1131 PolarHBondContact O-N 3.47Å; N1129-S1132 PolarHBondContact O-N 3.23Å; N1129-S1132 PolarHBondContact O-OG 2.81Å
1130	P	39.7	Very low	51.9	Low	88 Å²	88	110.9 Å²	110.9	57%	0.571	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.8	-10.4	-178.6	-22.8	32.2	0	0	0	114.8	F1128 L1168	F1128-P1130 WeakPolarHBondContact O-CD 3.26Å; P1130-L1168 HydrophobicContact CB-CD2 4.48Å; P1130-L1168 HydrophobicContact CG-CD2 3.69Å
1131	D	38.7	Very low	49.8	Very low	118 Å²	118	111.6 Å²	111.6	63%	0.631	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	1.2	-175.1	-65.2	-25.6	0	0	0	115.2	N1129	N1129-D1131 PolarHBondContact O-N 3.47Å
1132	S	35.9	Very low	47.6	Very low	85 Å²	85	116.4 Å²	116.4	59%	0.594	60%	0.596	S	S	*	*			trans	-109	17.9	-175.3	65.7	0	0	0	0	116.6	N1129	N1129-S1132 PolarHBondContact O-N 3.23Å; N1129-S1132 PolarHBondContact O-OG 2.81Å
1133	N	32.1	Very low	45.4	Very low	104 Å²	104	125 Å²	125	56%	0.556	63%	0.633	S	S	*	*			trans	-109.3	26.7	-178.5	-118.8	-6.8	0	0	0	115.4
1134	V	35.9	Very low	43.2	Very low	126 Å²	126	129.1 Å²	129.1	76%	0.764	66%	0.655	S	S	*	*	S	Bend	trans	-115.4	111	162.6	-171.9	0	0	0	0	106.2
1135	D	32.7	Very low	41.2	Very low	136 Å²	136	129.9 Å²	129.9	73%	0.727	67%	0.671	S	S	*	*			trans	121.1	16.6	173.5	-63.8	-17.4	0	0	0	117.9	Q1137	D1135-Q1137 PolarHBondContact O-N 3.31Å
1136	L	32.9	Very low	39.2	Very low	151 Å²	151	136 Å²	136	79%	0.791	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	57.4	159.5	-87.2	157.2	0	0	0	111.8
1137	Q	34.2	Very low	36.9	Very low	188 Å²	188	140.1 Å²	140.1	88%	0.879	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.4	-1.1	160.8	-85.2	-159.9	-9.8	0	0	114.9	D1135	D1135-Q1137 PolarHBondContact O-N 3.31Å
1138	N	33.2	Very low	35.3	Very low	140 Å²	140	143.2 Å²	143.2	75%	0.749	74%	0.737	S	S	*	*	S	Bend	trans	-126.6	123.2	-178.6	-81.3	-39.5	0	0	0	113.1
1139	K	34.5	Very low	34.1	Very low	203 Å²	203	143.7 Å²	143.7	88%	0.883	75%	0.745	S	S	*	*			trans	91.5	71	164.8	-59.1	176.8	176.7	175.4	0	117.7
1140	K	31.8	Very low	33.6	Very low	197 Å²	197	146.1 Å²	146.1	86%	0.857	76%	0.759	S	S	*	*				-56.6	141.5	125.7	-79.7	175.5	174.4	172.8	0	108.4
1141	I	37.6	Very low	33.1	Very low	144 Å²	144	147.5 Å²	147.5	74%	0.738	77%	0.766	S	S	*	*			trans	129.4	120.4	155.1	-65.2	158.5	0	0	0	113.1
1142	Q	35.8	Very low	32.6	Very low	178 Å²	178	146.7 Å²	146.7	83%	0.832	77%	0.769	S	S	*	*			trans	73.5	97	163.8	-71.9	161.8	12.1	0	0	117
1143	K	32.4	Very low	32.4	Very low	191 Å²	191	153.7 Å²	153.7	83%	0.83	78%	0.782	S	S	*	*				52.3	120.4	65.8	-86.4	-169.6	-179.7	179.5	0	116.5
1144	N	32.2	Very low	32.2	Very low	143 Å²	143	160.1 Å²	160.1	77%	0.765	80%	0.799	S	S	*	*			trans	82.2	105.5	152.4	-62.3	-9.3	0	0	0	119.2
1145	S	36.9	Very low	32.1	Very low	117 Å²	117	161.7 Å²	161.7	82%	0.818	80%	0.803	S	S	*	*				168.4	124.8	105.6	47.9	0	0	0	0	114.2
1146	K	32	Very low	32	Very low	192 Å²	192	165.1 Å²	165.1	84%	0.835	81%	0.811	S	S	*	*			trans	20.2	125.8	142.8	-69.7	-179.3	176.8	177.5	0	121.7
1147	T	28.3	Very low	32.1	Very low	119 Å²	119	164.6 Å²	164.6	73%	0.73	81%	0.808	S	S	*	*			trans	50.6	121.5	132	60.6	0	0	0	0	120
1148	L	32	Very low	31.8	Very low	169 Å²	169	164.7 Å²	164.7	89%	0.885	81%	0.805	S	S	*	*				-170.4	144.2	116.5	-123.9	85	0	0	0	112.7
1149	N	27.4	Very low	31.8	Very low	140 Å²	140	166.6 Å²	166.6	75%	0.749	81%	0.81	S	S	*	*			trans	-61.4	148.6	170.2	-67	-37.8	0	0	0	112.7
1150	N	29.3	Very low	31.6	Very low	140 Å²	140	162.4 Å²	162.4	75%	0.749	80%	0.801	S	S	*	*				145.4	123.8	118.6	-87.8	-23.5	0	0	0	113.8
1151	T	28.7	Very low	31.5	Very low	117 Å²	117	162.9 Å²	162.9	72%	0.718	80%	0.803	S	S	*	*			trans	40.3	117.3	135.3	67.6	0	0	0	0	118.9
1152	S	29.8	Very low	31	Very low	100 Å²	100	160.7 Å²	160.7	70%	0.699	81%	0.807	S	S	*	*				146.8	150.5	101.3	71.3	0	0	0	0	113.1
1153	R	30.9	Very low	30.8	Very low	232 Å²	232	157.9 Å²	157.9	88%	0.875	81%	0.807	S	S	*	*			trans	72.8	99.7	151.1	-75.5	172.9	174.2	174.4	-0.9	118.9
1154	R	28.4	Very low	30.5	Very low	239 Å²	239	158.7 Å²	158.7	90%	0.902	81%	0.81	S	S	*	*				3.6	124.2	127.4	-70.2	176.3	178.5	156.3	1.3	115
1155	D	33.6	Very low	30.3	Very low	160 Å²	160	159.9 Å²	159.9	86%	0.856	82%	0.816	S	S	*	*			trans	-142.3	128.5	131.8	-94.5	-38.3	0	0	0	111.8
1156	K	30	Very low	29.9	Very low	207 Å²	207	159 Å²	159	90%	0.9	81%	0.805	S	S	*	*			trans	-93.4	111.4	170.8	-82.1	-178.8	173.4	-179.4	0	107.1
1157	I	34.2	Very low	29.7	Very low	141 Å²	141	159.4 Å²	159.4	72%	0.723	81%	0.81	S	S	*	*			trans	-114.4	127.1	162.3	-64.5	177.9	0	0	0	108.7
1158	K	29.5	Very low	29.9	Very low	189 Å²	189	157.5 Å²	157.5	82%	0.822	80%	0.795	S	S	*	*			trans	-73.2	125.7	176.3	-64	167.7	174.9	177.3	0	108.2
1159	H	31.7	Very low	30.6	Very low	181 Å²	181	158 Å²	158	84%	0.838	79%	0.786	S	S	*	*			trans	-122	120.8	151.7	-89.3	-77.3	0	0	0	110
1160	T	30.8	Very low	32.1	Very low	114 Å²	114	160.6 Å²	160.6	70%	0.699	79%	0.791	S	S	*	*			trans	-81.9	142.6	179.9	35.3	0	0	0	0	111
1161	K	29	Very low	34	Very low	208 Å²	208	156 Å²	156	90%	0.904	77%	0.769	S	S	*	*	S	Bend	trans	58.8	77.7	150.2	-64	179.1	176	-178.8	0	116.3
1162	A	28.1	Very low	36.6	Very low	98 Å²	98	151.2 Å²	151.2	81%	0.81	74%	0.74	S	S	*	*			trans	-154.1	-21.7	156.7	0	0	0	0	0	115.4	K1164	A1162-K1164 PolarHBondContact O-N 3.06Å; A1162-K1164 VanDerWaalsContact O-N 3.11Å
1163	S	30.7	Very low	39.5	Very low	119 Å²	119	147.9 Å²	147.9	83%	0.832	72%	0.716	S	S	*	*			trans	-91.2	48.5	-169.3	-53.4	0	0	0	0	116.3	L1165	S1163-L1165 VanDerWaalsContact C-N 3.32Å; S1163-L1165 PolarHBondContact O-N 3.29Å
1164	K	27.7	Very low	42.3	Very low	207 Å²	207	136.9 Å²	136.9	90%	0.9	68%	0.675	S	S	*	*	S	Bend	trans	-88	12.7	180	-132.7	-178.5	-176.6	-169.3	0	114.8	A1162	A1162-K1164 PolarHBondContact O-N 3.06Å; A1162-K1164 VanDerWaalsContact O-N 3.11Å
1165	L	27.2	Very low	45.4	Very low	169 Å²	169	125.7 Å²	125.7	89%	0.885	63%	0.633	S	S	*	*	S	Bend	trans	-141.3	14	-172.9	-92.6	162.9	0	0	0	116.4	S1163	S1163-L1165 VanDerWaalsContact C-N 3.32Å; S1163-L1165 PolarHBondContact O-N 3.29Å
1166	V	27.8	Very low	48.2	Very low	99 Å²	99	118 Å²	118	60%	0.6	59%	0.592	S	S	*	*			trans	-141.6	84.5	176	-174.9	0	0	0	0	109.9	L1168	V1166-L1168 HydrophobicContact CG1-CD1 3.97Å; V1166-L1168 HydrophobicContact CG1-CG 3.84Å; V1166-L1168 PolarHBondContact O-N 2.81Å
1167	Q	27.7	Very low	51.1	Low	199 Å²	199	108.2 Å²	108.2	93%	0.93	55%	0.549	S	S	*	.			trans	-91.7	90.2	164.8	-96.1	177.6	-24.8	0	0	107.6	Y1169	Q1167-Y1169 PolarHBondContact O-N 2.75Å
1168	L	32.7	Very low	53.7	Low	79 Å²	79	101.5 Å²	101.5	41%	0.414	52%	0.515	S	S	.	.			trans	-55.2	125.7	177.5	-81.9	141.1	0	0	0	111.7	P1130 V1166 K1170	P1130-L1168 HydrophobicContact CB-CD2 4.48Å; P1130-L1168 HydrophobicContact CG-CD2 3.69Å; V1166-L1168 HydrophobicContact CG1-CD1 3.97Å; V1166-L1168 HydrophobicContact CG1-CG 3.84Å; V1166-L1168 PolarHBondContact O-N 2.81Å; L1168-K1170 PolarHBondContact O-N 3.28Å; L1168-K1170 VanDerWaalsContact O-N 3.15Å
1169	Y	46.6	Very low	56.3	Low	179 Å²	179	92.6 Å²	92.6	70%	0.702	48%	0.476	S	S	*	.			trans	-50.5	110.2	175.2	-77.9	-95.6	0	0	0	111.1	N1084 Q1167 C1171	N1084-Y1169 WeakPolarHBondContact ND2-CE1 3.28Å; N1084-Y1169 PolarHBondContact ND2-OH 2.82Å; Q1167-Y1169 PolarHBondContact O-N 2.75Å; Y1169-C1171 PolarHBondContact O-N 3.02Å
1170	K	58.6	Low	58.6	Low	195 Å²	195	85.1 Å²	85.1	85%	0.848	44%	0.443	S	S	*	.			trans	-83.7	111	172.1	-155	177.9	-176.1	-171.5	0	107.5	L1168	L1168-K1170 PolarHBondContact O-N 3.28Å; L1168-K1170 VanDerWaalsContact O-N 3.15Å
1171	C	70.3	Confident	60.7	Low	44 Å²	44	86.3 Å²	86.3	30%	0.297	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-55.7	139.5	178.5	-65.8	0	0	0	0	110.6	W1126 Y1169	W1126-C1171 HydrophobicContact CD2-CB 4Å; W1126-C1171 HydrophobicContact CG-CB 3.73Å; W1126-C1171 VanDerWaalsContact NE1-CB 3.34Å; Y1169-C1171 PolarHBondContact O-N 3.02Å
1172	P	84.1	Confident	63.2	Low	17 Å²	17	78.7 Å²	78.7	11%	0.11	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-66.9	149.6	-174.9	27.5	-34.3	0	0	0	111.5	L1077 L1080 K1101 I1103 W1126	L1077-P1172 HydrophobicContact CD2-CG 3.58Å; L1080-P1172 HydrophobicContact CD1-CB 4.1Å; L1080-P1172 HydrophobicContact CD1-CG 3.77Å; K1101-P1172 HydrophobicContact CB-CB 4.04Å; I1103-P1172 HydrophobicContact CD1-CG 4.31Å; I1103-P1172 HydrophobicContact CG1-CG 4.42Å; W1126-P1172 PolarHBondContact NE1-O 3.27Å
1173	P	89.2	Confident	65.8	Low	30 Å²	30	78.7 Å²	78.7	20%	0.195	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-62.3	141.2	170.6	26	-35.6	0	0	0	112.4	K1101 I1103 T1196	K1101-P1173 VanDerWaalsContact O-CD 3.29Å; K1101-P1173 WeakPolarHBondContact O-CD 3.27Å; I1103-P1173 PolarHBondContact N-O 2.54Å; P1173-T1196 VanDerWaalsContact CA-O 3.32Å; P1173-T1196 WeakPolarHBondContact CA-O 3.41Å
1174	I	91.4	Very high	68.3	Low	0 Å²	0	77.6 Å²	77.6	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	106.2	169.9	-52.8	179.1	0	0	0	108.6	I1073 I1103 L1105 I1122 W1126 T1176 L1192 S1193 T1196 G1198	I1073-I1174 HydrophobicContact CD1-CD1 4.28Å; I1073-I1174 HydrophobicContact CG2-CD1 3.75Å; I1103-I1174 HydrophobicContact CB-CG1 4.4Å; I1103-I1174 HydrophobicContact CG2-CG2 4.45Å; I1103-I1174 CarbonylContact O-C 3.18Å; I1103-I1174 WeakPolarHBondContact O-CA 3.42Å; L1105-I1174 HydrophobicContact CB-CG2 4.24Å; I1122-I1174 HydrophobicContact CG2-CD1 4.4Å; W1126-I1174 HydrophobicContact CH2-CD1 3.58Å; W1126-I1174 HydrophobicContact CH2-CG1 4.07Å; W1126-I1174 HydrophobicContact CZ2-CD1 3.59Å; W1126-I1174 HydrophobicContact CZ2-CG1 3.61Å; W1126-I1174 HydrophobicContact CZ3-CD1 4.29Å; I1174-T1176 HydrophobicContact CG2-CG2 4.2Å; I1174-L1192 HydrophobicContact CD1-CD1 4.38Å; I1174-S1193 WeakPolarHBondContact O-CA 3.47Å; I1174-S1193 WeakPolarHBondContact O-CB 3.43Å; I1174-T1196 HydrophobicContact CB-CG2 4.31Å; I1174-T1196 WeakPolarHBondContact CB-OG1 3.36Å; I1174-T1196 HydrophobicContact CD1-CG2 3.78Å; I1174-T1196 HydrophobicContact CG1-CG2 3.87Å; I1174-T1196 PolarHBondContact N-OG1 3.33Å; I1174-G1198 WeakPolarHBondContact O-CA 3.19Å
1175	H	92.5	Very high	71	Confident	4 Å²	4	67.9 Å²	67.9	2%	0.019	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	131.4	170.1	-55	-81.5	0	0	0	109.2	E987 I1103 Y1104 L1105 R1199	E987-H1175 IonicContact OE1-CE1 4Å; E987-H1175 IonicContact OE1-NE2 3.56Å; E987-H1175 PolarHBondContact OE1-NE2 3.15Å; E987-H1175 VanDerWaalsContact OE1-NE2 3.14Å; I1103-H1175 PolarHBondContact O-N 2.89Å; Y1104-H1175 CarbonylContact C-O 3.58Å; Y1104-H1175 WeakPolarHBondContact CA-O 3.35Å; Y1104-H1175 HydrophobicContact CD1-CB 3.71Å; Y1104-H1175 HydrophobicContact CE1-CB 3.7Å; Y1104-H1175 AromaticContact CE1-CG 3.8Å; Y1104-H1175 AromaticContact CE2-CD2 3.66Å; Y1104-H1175 HydrophobicContact CG-CB 4.18Å; Y1104-H1175 AromaticContact CZ-CD2 3.57Å; Y1104-H1175 AromaticContact CZ-CG 3.81Å; L1105-H1175 PolarHBondContact N-O 3.25Å; H1175-R1199 CarbonylContact C-O 3.54Å; H1175-R1199 VanDerWaalsContact CA-O 3.23Å; H1175-R1199 WeakPolarHBondContact CA-O 3.35Å; H1175-R1199 PolarHBondContact CE1-NE 3.16Å; H1175-R1199 WeakPolarHBondContact ND1-CB 3.2Å; H1175-R1199 PolarHBondContact ND1-N 2.92Å; H1175-R1199 PolarHBondContact ND1-NE 3.45Å
1176	T	92.1	Very high	73.8	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	127.6	-177	49.6	0	0	0	0	110.2	L1105 I1174 L1189 L1192 S1193 R1199 F1200 H1201	L1105-T1176 HydrophobicContact CB-CG2 4.38Å; L1105-T1176 HydrophobicContact CD2-CG2 4.22Å; L1105-T1176 CarbonylContact O-C 2.65Å; L1105-T1176 WeakPolarHBondContact O-CA 3.06Å; I1174-T1176 HydrophobicContact CG2-CG2 4.2Å; T1176-L1189 HydrophobicContact CG2-CD2 4.18Å; T1176-L1189 PolarHBondContact OG1-O 3.1Å; T1176-L1192 HydrophobicContact CG2-CD2 4.1Å; T1176-L1192 HydrophobicContact CG2-CG 4.35Å; T1176-S1193 WeakPolarHBondContact OG1-CB 3.46Å; T1176-S1193 PolarHBondContact OG1-OG 2.82Å; T1176-R1199 PolarHBondContact N-O 3.36Å; T1176-F1200 WeakPolarHBondContact O-CA 3.39Å; T1176-F1200 WeakPolarHBondContact OG1-CD2 3.49Å; T1176-H1201 PolarHBondContact O-N 3.22Å
1177	I	91.4	Very high	76.6	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	116.4	176.5	-54.4	84.1	0	0	0	107.7	F982 Y1104 L1105 I1106 T1107 Y1179 H1201	F982-I1177 HydrophobicContact CD1-CG1 4.25Å; Y1104-I1177 HydrophobicContact CD1-CD1 4.06Å; L1105-I1177 PolarHBondContact O-N 2.85Å; I1106-I1177 HydrophobicContact CG1-CB 4.14Å; I1106-I1177 HydrophobicContact CG1-CD1 3.95Å; I1106-I1177 HydrophobicContact CG1-CG1 4.34Å; T1107-I1177 PolarHBondContact N-O 3Å; T1107-I1177 VanDerWaalsContact N-O 3.1Å; I1177-Y1179 HydrophobicContact CG2-CD2 4.26Å; I1177-Y1179 HydrophobicContact CG2-CE2 3.81Å; I1177-H1201 WeakPolarHBondContact CA-O 3.27Å; I1177-H1201 HydrophobicContact CG1-CB 4.31Å
1178	S	88.8	Confident	79.5	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.007	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	127.6	-174.5	-171.7	0	0	0	0	111.9	T1107 T1180 L1189 H1201 F1203	T1107-S1178 WeakPolarHBondContact O-CA 3.34Å; S1178-T1180 WeakPolarHBondContact OG-CG2 3.38Å; S1178-L1189 WeakPolarHBondContact OG-CD1 3.31Å; S1178-H1201 PolarHBondContact N-O 2.94Å; S1178-F1203 WeakPolarHBondContact O-CD1 3.31Å; S1178-F1203 PolarHBondContact O-N 3.15Å
1179	Y	84.6	Confident	82.2	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.008	24%	0.239	C	C	.	.			trans	-108	31.1	172	-81.6	-95	0	0	0	112.4	M1000 H1003 I1007 I1106 T1107 I1177 F1203	M1000-Y1179 HydrophobicContact CE-CD2 4.47Å; M1000-Y1179 HydrophobicContact CE-CG 4.37Å; H1003-Y1179 HydrophobicContact CB-CD1 3.98Å; I1007-Y1179 HydrophobicContact CD1-CD1 4.17Å; I1007-Y1179 HydrophobicContact CD1-CD2 4Å; I1007-Y1179 HydrophobicContact CD1-CE1 4.17Å; I1007-Y1179 HydrophobicContact CD1-CE2 4.01Å; I1007-Y1179 HydrophobicContact CD1-CG 4.08Å; I1007-Y1179 HydrophobicContact CG1-CD1 4.17Å; I1007-Y1179 HydrophobicContact CG1-CD2 4.25Å; I1007-Y1179 HydrophobicContact CG1-CE1 3.66Å; I1007-Y1179 HydrophobicContact CG1-CE2 3.76Å; I1007-Y1179 HydrophobicContact CG1-CG 4.44Å; I1007-Y1179 VanDerWaalsContact CG1-CZ 3.43Å; I1106-Y1179 HydrophobicContact CG2-CD2 3.79Å; I1106-Y1179 HydrophobicContact CG2-CE2 3.68Å; T1107-Y1179 PolarHBondContact O-N 2.58Å; T1107-Y1179 VanDerWaalsContact O-N 3.14Å; I1177-Y1179 HydrophobicContact CG2-CD2 4.26Å; I1177-Y1179 HydrophobicContact CG2-CE2 3.81Å; Y1179-F1203 HydrophobicContact CD1-CB 3.74Å; Y1179-F1203 HydrophobicContact CD1-CG 4.23Å; Y1179-F1203 HydrophobicContact CE1-CB 3.83Å; Y1179-F1203 HydrophobicContact CG-CB 4.18Å
1180	T	78.4	Confident	84.2	Confident	23 Å²	23	41.6 Å²	41.6	14%	0.141	22%	0.216	C	C	.	.			trans	-126.8	150.2	-180	-163.9	0	0	0	0	111.8	D1108 S1178 D1182 A1185 I1186	D1108-T1180 WeakPolarHBondContact O-CB 3.28Å; D1108-T1180 WeakPolarHBondContact O-CG2 3.46Å; S1178-T1180 WeakPolarHBondContact OG-CG2 3.38Å; T1180-D1182 HydrophobicContact CG2-CB 4.21Å; T1180-D1182 WeakPolarHBondContact OG1-CB 3.18Å; T1180-D1182 PolarHBondContact OG1-N 2.87Å; T1180-D1182 VanDerWaalsContact OG1-N 3.16Å; T1180-A1185 HydrophobicContact CG2-CB 3.67Å; T1180-I1186 HydrophobicContact CG2-CG1 4.07Å
1181	N	75.1	Confident	85.6	Confident	139 Å²	139	37.9 Å²	37.9	74%	0.743	20%	0.2	S	C	*	.			trans	-93.4	-0.6	166.7	-72.2	-27.5	0	0	0	112.3	Q1183 F1203	N1181-Q1183 PolarHBondContact O-N 3.37Å; N1181-F1203 WeakPolarHBondContact OD1-CE1 2.95Å; N1181-F1203 WeakPolarHBondContact OD1-CZ 3.17Å
1182	D	82.2	Confident	86.4	Confident	48 Å²	48	35.8 Å²	35.8	26%	0.257	19%	0.186	S	C	.	.			trans	-71.6	112.9	178	-174.5	-10.5	0	0	0	111	K1110 T1180 T1184 A1185 I1186	K1110-D1182 WeakPolarHBondContact CE-OD2 3.49Å; K1110-D1182 IonicContact NZ-OD2 3.5Å; K1110-D1182 PolarHBondContact NZ-OD2 3.13Å; T1180-D1182 HydrophobicContact CG2-CB 4.21Å; T1180-D1182 WeakPolarHBondContact OG1-CB 3.18Å; T1180-D1182 PolarHBondContact OG1-N 2.87Å; T1180-D1182 VanDerWaalsContact OG1-N 3.16Å; D1182-T1184 VanDerWaalsContact CG-OG1 3.23Å; D1182-T1184 PolarHBondContact O-N 3.31Å; D1182-T1184 WeakPolarHBondContact OD1-CB 3.21Å; D1182-T1184 PolarHBondContact OD1-N 3.05Å; D1182-T1184 PolarHBondContact OD1-OG1 3.41Å; D1182-T1184 PolarHBondContact OD2-OG1 2.88Å; D1182-A1185 HydrophobicContact CB-CB 4.11Å; D1182-A1185 PolarHBondContact O-N 2.98Å; D1182-I1186 WeakPolarHBondContact O-CG1 3.25Å; D1182-I1186 PolarHBondContact O-N 3.11Å
1183	Q	82.6	Confident	86.7	Confident	98 Å²	98	35 Å²	35	46%	0.458	18%	0.181	S	C	.	.	H	α-helix	trans	-59.1	-31.1	-179.4	-171.6	65.6	7.1	0	0	112.7	N1181 L1187	N1181-Q1183 PolarHBondContact O-N 3.37Å; Q1183-L1187 HydrophobicContact CG-CD1 4.27Å; Q1183-L1187 WeakPolarHBondContact O-CB 3.42Å; Q1183-L1187 WeakPolarHBondContact O-CG 3.31Å; Q1183-L1187 PolarHBondContact O-N 3.35Å
1184	T	84.2	Confident	86.6	Confident	97 Å²	97	38.5 Å²	38.5	60%	0.595	20%	0.198	S	C	*	.	H	α-helix	trans	-70.1	-43.8	179.5	63.6	0	0	0	0	111.6	D1182 L1187 F1188	D1182-T1184 VanDerWaalsContact CG-OG1 3.23Å; D1182-T1184 PolarHBondContact O-N 3.31Å; D1182-T1184 WeakPolarHBondContact OD1-CB 3.21Å; D1182-T1184 PolarHBondContact OD1-N 3.05Å; D1182-T1184 PolarHBondContact OD1-OG1 3.41Å; D1182-T1184 PolarHBondContact OD2-OG1 2.88Å; T1184-L1187 PolarHBondContact O-N 2.92Å; T1184-F1188 PolarHBondContact O-N 2.94Å
1185	A	84.5	Confident	86.3	Confident	2 Å²	2	41.7 Å²	41.7	2%	0.017	22%	0.215	C	C	.	.	H	α-helix	trans	-65.8	-42.8	174.8	0	0	0	0	0	111.7	D1108 T1180 D1182 L1187 F1188 L1189	D1108-A1185 WeakPolarHBondContact O-CB 3.39Å; T1180-A1185 HydrophobicContact CG2-CB 3.67Å; D1182-A1185 HydrophobicContact CB-CB 4.11Å; D1182-A1185 PolarHBondContact O-N 2.98Å; A1185-L1187 PolarHBondContact O-N 3.31Å; A1185-F1188 WeakPolarHBondContact O-CB 3.43Å; A1185-F1188 PolarHBondContact O-N 3.06Å; A1185-L1189 WeakPolarHBondContact O-CG 3.24Å; A1185-L1189 PolarHBondContact O-N 2.89Å
1186	I	85.3	Confident	86	Confident	11 Å²	11	41.8 Å²	41.8	6%	0.056	22%	0.216	C	C	.	.	H	α-helix	trans	-57.9	-45.8	173.3	-71.7	170.3	0	0	0	111.4	T1180 D1182 F1188 L1189 K1190 F1200	T1180-I1186 HydrophobicContact CG2-CG1 4.07Å; D1182-I1186 WeakPolarHBondContact O-CG1 3.25Å; D1182-I1186 PolarHBondContact O-N 3.11Å; I1186-F1188 VanDerWaalsContact C-N 3.33Å; I1186-F1188 PolarHBondContact O-N 3.1Å; I1186-L1189 PolarHBondContact O-N 2.64Å; I1186-K1190 HydrophobicContact CG2-CD 4.1Å; I1186-K1190 WeakPolarHBondContact O-CB 3.12Å; I1186-K1190 WeakPolarHBondContact O-CG 3.1Å; I1186-K1190 PolarHBondContact O-N 2.86Å; I1186-F1200 HydrophobicContact CB-CZ 4.42Å; I1186-F1200 HydrophobicContact CG1-CZ 4.43Å; I1186-F1200 HydrophobicContact CG2-CE1 4.19Å; I1186-F1200 HydrophobicContact CG2-CZ 3.77Å
1187	L	87.1	Confident	85.6	Confident	99 Å²	99	48.1 Å²	48.1	52%	0.518	25%	0.25	S	C	.	.	H	α-helix	trans	-63.6	-39.4	177.8	-76.4	170.7	0	0	0	111.9	Q1183 T1184 A1185 K1191	Q1183-L1187 HydrophobicContact CG-CD1 4.27Å; Q1183-L1187 WeakPolarHBondContact O-CB 3.42Å; Q1183-L1187 WeakPolarHBondContact O-CG 3.31Å; Q1183-L1187 PolarHBondContact O-N 3.35Å; T1184-L1187 PolarHBondContact O-N 2.92Å; A1185-L1187 PolarHBondContact O-N 3.31Å; L1187-K1191 VanDerWaalsContact O-CB 3.3Å; L1187-K1191 WeakPolarHBondContact O-CB 3.3Å; L1187-K1191 PolarHBondContact O-N 2.77Å
1188	F	88.4	Confident	85.4	Confident	11 Å²	11	48.5 Å²	48.5	5%	0.048	25%	0.254	C	S	.	.	H	α-helix	trans	-61.9	-52.6	173.9	161.4	-107.7	0	0	0	111.7	P1111 C1115 L1118 I1119 T1184 A1185 I1186 K1190 K1191 L1192	P1111-F1188 HydrophobicContact CG-CE1 4.26Å; P1111-F1188 HydrophobicContact CG-CZ 4.31Å; C1115-F1188 HydrophobicContact CB-CB 4.41Å; C1115-F1188 HydrophobicContact CB-CD2 3.47Å; C1115-F1188 VanDerWaalsContact CB-CD2 3.47Å; C1115-F1188 HydrophobicContact CB-CE2 3.9Å; C1115-F1188 HydrophobicContact CB-CG 3.98Å; L1118-F1188 HydrophobicContact CD2-CE2 4.32Å; L1118-F1188 HydrophobicContact CD2-CZ 3.7Å; L1118-F1188 HydrophobicContact CG-CZ 4.47Å; I1119-F1188 HydrophobicContact CD1-CD2 3.75Å; I1119-F1188 HydrophobicContact CD1-CE2 4.02Å; I1119-F1188 HydrophobicContact CG1-CD2 4.18Å; I1119-F1188 HydrophobicContact CG1-CE2 3.91Å; T1184-F1188 PolarHBondContact O-N 2.94Å; A1185-F1188 WeakPolarHBondContact O-CB 3.43Å; A1185-F1188 PolarHBondContact O-N 3.06Å; I1186-F1188 VanDerWaalsContact C-N 3.33Å; I1186-F1188 PolarHBondContact O-N 3.1Å; F1188-K1190 VanDerWaalsContact C-N 3.34Å; F1188-K1190 PolarHBondContact O-N 3.48Å; F1188-K1191 WeakPolarHBondContact O-CB 3.48Å; F1188-K1191 PolarHBondContact O-N 3.44Å; F1188-L1192 HydrophobicContact CZ-CD2 4.23Å; F1188-L1192 PolarHBondContact O-N 3.49Å
1189	L	89.6	Confident	85.5	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63	-37.6	-179.2	-69.3	175.6	0	0	0	112.8	L1105 T1107 T1176 S1178 A1185 I1186 L1192 S1193 F1200	L1105-L1189 HydrophobicContact CD2-CD2 4.43Å; T1107-L1189 HydrophobicContact CG2-CD1 4.11Å; T1107-L1189 HydrophobicContact CG2-CD2 3.57Å; T1107-L1189 HydrophobicContact CG2-CG 4.47Å; T1176-L1189 HydrophobicContact CG2-CD2 4.18Å; T1176-L1189 PolarHBondContact OG1-O 3.1Å; S1178-L1189 WeakPolarHBondContact OG-CD1 3.31Å; A1185-L1189 WeakPolarHBondContact O-CG 3.24Å; A1185-L1189 PolarHBondContact O-N 2.89Å; I1186-L1189 PolarHBondContact O-N 2.64Å; L1189-L1192 PolarHBondContact O-N 3.32Å; L1189-S1193 PolarHBondContact O-N 2.95Å; L1189-S1193 PolarHBondContact O-OG 2.96Å; L1189-S1193 VanDerWaalsContact O-OG 3.13Å; L1189-F1200 HydrophobicContact CB-CD2 4.09Å; L1189-F1200 HydrophobicContact CB-CE2 3.74Å
1190	K	87.9	Confident	85.7	Confident	52 Å²	52	49.4 Å²	49.4	23%	0.226	26%	0.257	C	S	.	.	H	α-helix	trans	-63.8	-41.3	170.7	-80.8	179	172.7	176.1	0	112.4	I1186 F1188 L1192 S1193 N1194 F1200	I1186-K1190 HydrophobicContact CG2-CD 4.1Å; I1186-K1190 WeakPolarHBondContact O-CB 3.12Å; I1186-K1190 WeakPolarHBondContact O-CG 3.1Å; I1186-K1190 PolarHBondContact O-N 2.86Å; F1188-K1190 VanDerWaalsContact C-N 3.34Å; F1188-K1190 PolarHBondContact O-N 3.48Å; K1190-L1192 VanDerWaalsContact C-N 3.34Å; K1190-S1193 PolarHBondContact O-OG 3.21Å; K1190-N1194 VanDerWaalsContact O-CB 3.3Å; K1190-N1194 WeakPolarHBondContact O-CB 3.43Å; K1190-N1194 VanDerWaalsContact O-CG 3.3Å; K1190-N1194 PolarHBondContact O-N 3.13Å; K1190-N1194 PolarHBondContact O-ND2 2.94Å; K1190-F1200 HydrophobicContact CB-CD2 4.49Å; K1190-F1200 HydrophobicContact CB-CG 4.5Å; K1190-F1200 HydrophobicContact CD-CD1 4.07Å; K1190-F1200 HydrophobicContact CD-CE1 4.11Å; K1190-F1200 HydrophobicContact CD-CG 4.44Å; K1190-F1200 HydrophobicContact CG-CB 3.98Å; K1190-F1200 HydrophobicContact CG-CD1 3.52Å; K1190-F1200 HydrophobicContact CG-CD2 3.65Å; K1190-F1200 HydrophobicContact CG-CE1 3.8Å; K1190-F1200 HydrophobicContact CG-CE2 3.96Å; K1190-F1200 HydrophobicContact CG-CG 3.42Å; K1190-F1200 VanDerWaalsContact CG-CG 3.42Å; K1190-F1200 HydrophobicContact CG-CZ 4.03Å
1191	K	87.4	Confident	86.2	Confident	117 Å²	117	48.4 Å²	48.4	51%	0.509	25%	0.25	S	S	.	.	H	α-helix	trans	-66.6	-41.4	178.5	-173.5	170.3	173.7	-172.5	0	110.4	I1119 L1187 F1188 N1194 L1195	I1119-K1191 HydrophobicContact CD1-CB 4.24Å; I1119-K1191 HydrophobicContact CD1-CD 3.72Å; I1119-K1191 HydrophobicContact CD1-CG 3.92Å; L1187-K1191 VanDerWaalsContact O-CB 3.3Å; L1187-K1191 WeakPolarHBondContact O-CB 3.3Å; L1187-K1191 PolarHBondContact O-N 2.77Å; F1188-K1191 WeakPolarHBondContact O-CB 3.48Å; F1188-K1191 PolarHBondContact O-N 3.44Å; K1191-N1194 PolarHBondContact O-N 3.35Å; K1191-L1195 HydrophobicContact CG-CD1 4.11Å; K1191-L1195 WeakPolarHBondContact O-CB 3.49Å; K1191-L1195 WeakPolarHBondContact O-CD1 3.4Å; K1191-L1195 WeakPolarHBondContact O-CG 3.31Å; K1191-L1195 PolarHBondContact O-N 3.46Å
1192	L	88.6	Confident	86.4	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.4	-48.5	176.8	179.4	60.4	0	0	0	112.6	I1073 L1105 I1122 I1174 T1176 F1188 L1189 K1190 L1195 T1196	I1073-L1192 HydrophobicContact CD1-CD2 4.17Å; L1105-L1192 HydrophobicContact CD2-CD2 3.94Å; I1122-L1192 HydrophobicContact CD1-CD1 3.53Å; I1122-L1192 HydrophobicContact CG2-CD1 4.04Å; I1174-L1192 HydrophobicContact CD1-CD1 4.38Å; T1176-L1192 HydrophobicContact CG2-CD2 4.1Å; T1176-L1192 HydrophobicContact CG2-CG 4.35Å; F1188-L1192 HydrophobicContact CZ-CD2 4.23Å; F1188-L1192 PolarHBondContact O-N 3.49Å; L1189-L1192 PolarHBondContact O-N 3.32Å; K1190-L1192 VanDerWaalsContact C-N 3.34Å; L1192-L1195 PolarHBondContact O-N 3.24Å; L1192-T1196 PolarHBondContact O-N 3.49Å; L1192-T1196 PolarHBondContact O-OG1 3.29Å
1193	S	89.6	Confident	86	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-65.6	-43	177.7	55.3	0	0	0	0	112.1	I1174 T1176 L1189 K1190 L1195 T1196 N1197 G1198	I1174-S1193 WeakPolarHBondContact O-CA 3.47Å; I1174-S1193 WeakPolarHBondContact O-CB 3.43Å; T1176-S1193 WeakPolarHBondContact OG1-CB 3.46Å; T1176-S1193 PolarHBondContact OG1-OG 2.82Å; L1189-S1193 PolarHBondContact O-N 2.95Å; L1189-S1193 PolarHBondContact O-OG 2.96Å; L1189-S1193 VanDerWaalsContact O-OG 3.13Å; K1190-S1193 PolarHBondContact O-OG 3.21Å; S1193-L1195 VanDerWaalsContact C-N 3.35Å; S1193-L1195 PolarHBondContact O-N 2.95Å; S1193-T1196 PolarHBondContact O-N 2.9Å; S1193-T1196 PolarHBondContact O-OG1 3.38Å; S1193-N1197 CarbonylContact O-C 3.51Å; S1193-N1197 PolarHBondContact O-N 3.43Å; S1193-N1197 VanDerWaalsContact O-N 3.1Å; S1193-G1198 PolarHBondContact O-N 3.1Å
1194	N	87.1	Confident	85.1	Confident	105 Å²	105	37.8 Å²	37.8	56%	0.561	20%	0.196	S	C	*	.	H	α-helix	trans	-62.6	-38.2	177.4	-78.1	-54.4	0	0	0	113.2	K1190 K1191 T1196 N1197	K1190-N1194 VanDerWaalsContact O-CB 3.3Å; K1190-N1194 WeakPolarHBondContact O-CB 3.43Å; K1190-N1194 VanDerWaalsContact O-CG 3.3Å; K1190-N1194 PolarHBondContact O-N 3.13Å; K1190-N1194 PolarHBondContact O-ND2 2.94Å; K1191-N1194 PolarHBondContact O-N 3.35Å; N1194-T1196 VanDerWaalsContact C-N 3.27Å; N1194-T1196 PolarHBondContact O-N 3.34Å; N1194-N1197 PolarHBondContact O-N 2.88Å
1195	L	85.6	Confident	83.9	Confident	67 Å²	67	38 Å²	38	35%	0.351	19%	0.193	S	C	.	.	H	α-helix	trans	-61.8	-36.5	177.1	-77.1	167.3	0	0	0	112.1	I1119 K1191 L1192 S1193	I1119-L1195 HydrophobicContact CB-CD1 4.42Å; I1119-L1195 HydrophobicContact CG1-CD1 4.27Å; I1119-L1195 HydrophobicContact CG2-CD1 3.45Å; I1119-L1195 VanDerWaalsContact CG2-CD1 3.45Å; K1191-L1195 HydrophobicContact CG-CD1 4.11Å; K1191-L1195 WeakPolarHBondContact O-CB 3.49Å; K1191-L1195 WeakPolarHBondContact O-CD1 3.4Å; K1191-L1195 WeakPolarHBondContact O-CG 3.31Å; K1191-L1195 PolarHBondContact O-N 3.46Å; L1192-L1195 PolarHBondContact O-N 3.24Å; S1193-L1195 VanDerWaalsContact C-N 3.35Å; S1193-L1195 PolarHBondContact O-N 2.95Å
1196	T	84.7	Confident	82.2	Confident	5 Å²	5	41.8 Å²	41.8	3%	0.031	21%	0.212	C	C	.	.	H	α-helix	trans	-94.9	5	-177.9	61.2	0	0	0	0	113.6	I1122 W1126 P1173 I1174 L1192 S1193 N1194 G1198	I1122-T1196 HydrophobicContact CG2-CG2 4.21Å; W1126-T1196 HydrophobicContact CD2-CG2 4.06Å; W1126-T1196 HydrophobicContact CG-CG2 4.04Å; W1126-T1196 HydrophobicContact CZ2-CG2 4.37Å; P1173-T1196 VanDerWaalsContact CA-O 3.32Å; P1173-T1196 WeakPolarHBondContact CA-O 3.41Å; I1174-T1196 HydrophobicContact CB-CG2 4.31Å; I1174-T1196 WeakPolarHBondContact CB-OG1 3.36Å; I1174-T1196 HydrophobicContact CD1-CG2 3.78Å; I1174-T1196 HydrophobicContact CG1-CG2 3.87Å; I1174-T1196 PolarHBondContact N-OG1 3.33Å; L1192-T1196 PolarHBondContact O-N 3.49Å; L1192-T1196 PolarHBondContact O-OG1 3.29Å; S1193-T1196 PolarHBondContact O-N 2.9Å; S1193-T1196 PolarHBondContact O-OG1 3.38Å; N1194-T1196 VanDerWaalsContact C-N 3.27Å; N1194-T1196 PolarHBondContact O-N 3.34Å; T1196-G1198 PolarHBondContact O-N 3.21Å
1197	N	85.3	Confident	80.5	Confident	134 Å²	134	46.7 Å²	46.7	72%	0.717	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	22.6	-168.9	-60.4	-60.7	0	0	0	114.7	S1193 N1194	S1193-N1197 CarbonylContact O-C 3.51Å; S1193-N1197 PolarHBondContact O-N 3.43Å; S1193-N1197 VanDerWaalsContact O-N 3.1Å; N1194-N1197 PolarHBondContact O-N 2.88Å
1198	G	86.1	Confident	79.1	Confident	8 Å²	8	44.7 Å²	44.7	8%	0.082	24%	0.237	C	C	.	.			trans	-78.8	-179.6	168.3	0	0	0	0	0	113.3	I1174 S1193 T1196	I1174-G1198 WeakPolarHBondContact O-CA 3.19Å; S1193-G1198 PolarHBondContact O-N 3.1Å; T1196-G1198 PolarHBondContact O-N 3.21Å
1199	R	90.2	Very high	77.6	Confident	22 Å²	22	47.3 Å²	47.3	8%	0.083	25%	0.254	C	S	.	.			trans	-111.5	146.7	179.9	-65.6	173.7	-72.7	157.7	1	110.1	L984 Y1104 H1175 T1176 D1248	L984-R1199 PolarHBondContact O-NH1 3.07Å; L984-R1199 PolarHBondContact O-NH2 3.08Å; Y1104-R1199 PolarHBondContact OH-NH2 3.18Å; H1175-R1199 CarbonylContact C-O 3.54Å; H1175-R1199 VanDerWaalsContact CA-O 3.23Å; H1175-R1199 WeakPolarHBondContact CA-O 3.35Å; H1175-R1199 PolarHBondContact CE1-NE 3.16Å; H1175-R1199 WeakPolarHBondContact ND1-CB 3.2Å; H1175-R1199 PolarHBondContact ND1-N 2.92Å; H1175-R1199 PolarHBondContact ND1-NE 3.45Å; T1176-R1199 PolarHBondContact N-O 3.36Å; R1199-D1248 IonicContact CZ-OD2 3.79Å; R1199-D1248 IonicContact NH1-OD1 3.82Å; R1199-D1248 IonicContact NH1-OD2 2.83Å; R1199-D1248 PolarHBondContact NH1-OD2 3.32Å
1200	F	90	Very high	76	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	132.2	173.7	177.1	-101.9	0	0	0	111	T1176 I1186 L1189 K1190 T1202 Q1245 S1246 D1247	T1176-F1200 WeakPolarHBondContact O-CA 3.39Å; T1176-F1200 WeakPolarHBondContact OG1-CD2 3.49Å; I1186-F1200 HydrophobicContact CB-CZ 4.42Å; I1186-F1200 HydrophobicContact CG1-CZ 4.43Å; I1186-F1200 HydrophobicContact CG2-CE1 4.19Å; I1186-F1200 HydrophobicContact CG2-CZ 3.77Å; L1189-F1200 HydrophobicContact CB-CD2 4.09Å; L1189-F1200 HydrophobicContact CB-CE2 3.74Å; K1190-F1200 HydrophobicContact CB-CD2 4.49Å; K1190-F1200 HydrophobicContact CB-CG 4.5Å; K1190-F1200 HydrophobicContact CD-CD1 4.07Å; K1190-F1200 HydrophobicContact CD-CE1 4.11Å; K1190-F1200 HydrophobicContact CD-CG 4.44Å; K1190-F1200 HydrophobicContact CG-CB 3.98Å; K1190-F1200 HydrophobicContact CG-CD1 3.52Å; K1190-F1200 HydrophobicContact CG-CD2 3.65Å; K1190-F1200 HydrophobicContact CG-CE1 3.8Å; K1190-F1200 HydrophobicContact CG-CE2 3.96Å; K1190-F1200 HydrophobicContact CG-CG 3.42Å; K1190-F1200 VanDerWaalsContact CG-CG 3.42Å; K1190-F1200 HydrophobicContact CG-CZ 4.03Å; F1200-T1202 HydrophobicContact CD1-CG2 4.2Å; F1200-T1202 HydrophobicContact CE1-CG2 3.19Å; F1200-T1202 HydrophobicContact CZ-CG2 3.44Å; F1200-T1202 VanDerWaalsContact CZ-CG2 3.44Å; F1200-Q1245 HydrophobicContact CE1-CB 4.21Å; F1200-S1246 WeakPolarHBondContact O-CA 3.48Å; F1200-D1247 PolarHBondContact N-OD2 3.07Å; F1200-D1247 VanDerWaalsContact N-OD2 3.11Å; F1200-D1247 PolarHBondContact O-N 2.9Å
1201	H	88.2	Confident	74.9	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	148.3	175.3	-60.3	-69	0	0	0	110	F982 T1176 I1177 S1178 S1246 D1248	F982-H1201 PolarHBondContact O-CD2 3.34Å; T1176-H1201 PolarHBondContact O-N 3.22Å; I1177-H1201 WeakPolarHBondContact CA-O 3.27Å; I1177-H1201 HydrophobicContact CG1-CB 4.31Å; S1178-H1201 PolarHBondContact N-O 2.94Å; H1201-S1246 PolarHBondContact ND1-OG 2.86Å; H1201-D1248 IonicContact CE1-OD2 3.15Å; H1201-D1248 PolarHBondContact CE1-OD2 3.22Å; H1201-D1248 VanDerWaalsContact CE1-OD2 3.3Å; H1201-D1248 IonicContact NE2-OD2 3.45Å
1202	T	80.8	Confident	73.9	Confident	20 Å²	20	47.9 Å²	47.9	12%	0.123	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	145	178.3	52.8	0	0	0	0	109.1	F1200 L1204 Q1245	F1200-T1202 HydrophobicContact CD1-CG2 4.2Å; F1200-T1202 HydrophobicContact CE1-CG2 3.19Å; F1200-T1202 HydrophobicContact CZ-CG2 3.44Å; F1200-T1202 VanDerWaalsContact CZ-CG2 3.44Å; T1202-L1204 PolarHBondContact O-N 3.04Å; T1202-Q1245 HydrophobicContact CG2-CB 4.03Å
1203	F	73.2	Confident	72.9	Confident	32 Å²	32	47.9 Å²	47.9	14%	0.14	27%	0.265	C	S	.	.			trans	-56	139.1	166.1	85.7	-81.2	0	0	0	109.9	S1178 Y1179 N1181 D1205	S1178-F1203 WeakPolarHBondContact O-CD1 3.31Å; S1178-F1203 PolarHBondContact O-N 3.15Å; Y1179-F1203 HydrophobicContact CD1-CB 3.74Å; Y1179-F1203 HydrophobicContact CD1-CG 4.23Å; Y1179-F1203 HydrophobicContact CE1-CB 3.83Å; Y1179-F1203 HydrophobicContact CG-CB 4.18Å; N1181-F1203 WeakPolarHBondContact OD1-CE1 2.95Å; N1181-F1203 WeakPolarHBondContact OD1-CZ 3.17Å; F1203-D1205 HydrophobicContact CE2-CB 4.12Å
1204	L	64	Low	71.9	Confident	10 Å²	10	48.7 Å²	48.7	5%	0.052	27%	0.269	C	S	.	.			trans	-117.3	93.4	-179.1	-82.5	165.5	0	0	0	107.5	K980 T1202 M1206 T1210 I1244 I1249	K980-L1204 VanDerWaalsContact CE-O 3.31Å; K980-L1204 WeakPolarHBondContact CE-O 3.47Å; K980-L1204 HydrophobicContact CG-CB 4.2Å; K980-L1204 HydrophobicContact CG-CD1 3.79Å; K980-L1204 PolarHBondContact NZ-O 3.25Å; T1202-L1204 PolarHBondContact O-N 3.04Å; L1204-M1206 PolarHBondContact O-N 2.98Å; L1204-T1210 HydrophobicContact CD1-CG2 4Å; L1204-T1210 HydrophobicContact CD2-CG2 3.85Å; L1204-I1244 HydrophobicContact CD2-CD1 4.06Å; L1204-I1244 HydrophobicContact CD2-CG1 4.23Å; L1204-I1244 HydrophobicContact CD2-CG2 3.9Å; L1204-I1249 HydrophobicContact CD1-CD1 3.63Å
1205	D	58.9	Low	71.1	Confident	101 Å²	101	47.9 Å²	47.9	54%	0.54	26%	0.264	S	S	.	.			trans	-53.5	136.9	178.3	-165.9	-4.1	0	0	0	111.1	F1203 T1207	F1203-D1205 HydrophobicContact CE2-CB 4.12Å; D1205-T1207 PolarHBondContact O-N 3.08Å
1206	M	47.9	Very low	70.3	Confident	83 Å²	83	46.7 Å²	46.7	41%	0.409	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	3.3	-161.5	-83	-75.9	-81.1	0	0	115.6	D695 K980 L1204	D695-M1206 VanDerWaalsContact OD2-CE 3.29Å; D695-M1206 WeakPolarHBondContact OD2-CE 3.36Å; K980-M1206 PolarHBondContact NZ-SD 2.88Å; L1204-M1206 PolarHBondContact O-N 2.98Å
1207	T	50.2	Low	69.6	Low	113 Å²	113	46.4 Å²	46.4	69%	0.693	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.7	3	-159.4	47.8	0	0	0	0	118	D1205	D1205-T1207 PolarHBondContact O-N 3.08Å
1208	S	56.6	Low	68.9	Low	58 Å²	58	43.6 Å²	43.6	41%	0.406	24%	0.238	S	C	.	.	S	Bend	trans	-163.5	-64.1	173.4	27.4	0	0	0	0	117.7	L1212	S1208-L1212 WeakPolarHBondContact O-CB 3.5Å; S1208-L1212 WeakPolarHBondContact O-CD1 3.37Å; S1208-L1212 PolarHBondContact O-N 3.07Å
1209	T	57.5	Low	68.1	Low	65 Å²	65	48.4 Å²	48.4	40%	0.399	26%	0.259	S	S	.	.	H	α-helix	trans	-73.9	-39	-153.6	48.6	0	0	0	0	116.6	F1213	T1209-F1213 VanDerWaalsContact O-CB 3.25Å; T1209-F1213 WeakPolarHBondContact O-CB 3.4Å; T1209-F1213 PolarHBondContact O-N 2.97Å
1210	T	56.9	Low	66.9	Low	3 Å²	3	47.5 Å²	47.5	2%	0.018	26%	0.256	C	S	.	.	H	α-helix	trans	-70.5	-44.7	178.5	34.5	0	0	0	0	112.6	T975 L1204 F1213 L1214 I1244	T975-T1210 HydrophobicContact CG2-CG2 3.98Å; L1204-T1210 HydrophobicContact CD1-CG2 4Å; L1204-T1210 HydrophobicContact CD2-CG2 3.85Å; T1210-F1213 PolarHBondContact O-N 3.39Å; T1210-L1214 WeakPolarHBondContact O-CB 3.44Å; T1210-L1214 PolarHBondContact O-N 3.41Å; T1210-I1244 HydrophobicContact CG2-CD1 3.27Å
1211	N	63.7	Low	65.7	Low	79 Å²	79	48.6 Å²	48.6	42%	0.422	26%	0.26	S	S	.	.	H	α-helix	trans	-70.1	-43.6	180	-67.9	-8.9	0	0	0	110	F1213 L1214 D1215	N1211-F1213 VanDerWaalsContact C-N 3.31Å; N1211-F1213 PolarHBondContact O-N 2.96Å; N1211-L1214 PolarHBondContact O-N 3.22Å; N1211-D1215 VanDerWaalsContact O-CB 3.27Å; N1211-D1215 WeakPolarHBondContact O-CB 3.5Å; N1211-D1215 PolarHBondContact O-N 3.38Å
1212	L	65.9	Low	64.5	Low	99 Å²	99	51.6 Å²	51.6	52%	0.518	28%	0.282	S	S	.	.	H	α-helix	trans	-57.5	-43.9	171.6	-100.1	95.3	0	0	0	111.9	S1208 Y1216 F1241	S1208-L1212 WeakPolarHBondContact O-CB 3.5Å; S1208-L1212 WeakPolarHBondContact O-CD1 3.37Å; S1208-L1212 PolarHBondContact O-N 3.07Å; L1212-Y1216 WeakPolarHBondContact O-CB 3.29Å; L1212-Y1216 PolarHBondContact O-N 3.1Å; L1212-F1241 HydrophobicContact CB-CE1 4.33Å; L1212-F1241 HydrophobicContact CB-CZ 4.12Å
1213	F	68.1	Low	63.4	Low	1 Å²	1	56 Å²	56	0%	0.004	30%	0.299	C	S	.	.	H	α-helix	trans	-67.4	-40.4	179.3	-174.1	-113.8	0	0	0	111.8	Y971 T1209 T1210 N1211 L1217 I1238 F1241 Q1253	Y971-F1213 AromaticContact CE1-CD1 3.76Å; Y971-F1213 HydrophobicContact CE1-CD1 3.76Å; Y971-F1213 HydrophobicContact CE1-CE1 4.4Å; Y971-F1213 HydrophobicContact CE2-CD1 4.03Å; Y971-F1213 HydrophobicContact CE2-CE1 4.09Å; Y971-F1213 AromaticContact CZ-CD1 3.47Å; Y971-F1213 VanDerWaalsContact CZ-CD1 3.47Å; Y971-F1213 WeakPolarHBondContact OH-CD1 3.23Å; T1209-F1213 VanDerWaalsContact O-CB 3.25Å; T1209-F1213 WeakPolarHBondContact O-CB 3.4Å; T1209-F1213 PolarHBondContact O-N 2.97Å; T1210-F1213 PolarHBondContact O-N 3.39Å; N1211-F1213 VanDerWaalsContact C-N 3.31Å; N1211-F1213 PolarHBondContact O-N 2.96Å; F1213-L1217 HydrophobicContact CD1-CD1 3.61Å; F1213-L1217 HydrophobicContact CD1-CG 4.2Å; F1213-L1217 HydrophobicContact CD2-CG 4.5Å; F1213-L1217 HydrophobicContact CE1-CD1 3.28Å; F1213-L1217 HydrophobicContact CE1-CD2 4.47Å; F1213-L1217 HydrophobicContact CE1-CG 3.97Å; F1213-L1217 HydrophobicContact CE2-CD1 4.45Å; F1213-L1217 HydrophobicContact CE2-CD2 4.42Å; F1213-L1217 HydrophobicContact CE2-CG 4.26Å; F1213-L1217 HydrophobicContact CG-CD1 4.37Å; F1213-L1217 HydrophobicContact CZ-CD1 3.77Å; F1213-L1217 HydrophobicContact CZ-CD2 4.1Å; F1213-L1217 HydrophobicContact CZ-CG 4Å; F1213-L1217 VanDerWaalsContact O-CB 3.32Å; F1213-L1217 WeakPolarHBondContact O-CB 3.28Å; F1213-L1217 WeakPolarHBondContact O-CG 3.44Å; F1213-L1217 PolarHBondContact O-N 2.91Å; F1213-I1238 HydrophobicContact CE2-CG2 4.21Å; F1213-I1238 HydrophobicContact CZ-CG2 4.45Å; F1213-F1241 HydrophobicContact CB-CD1 3.78Å; F1213-F1241 HydrophobicContact CB-CE1 3.64Å; F1213-F1241 HydrophobicContact CB-CG 4.44Å; F1213-F1241 HydrophobicContact CB-CZ 4.19Å; F1213-F1241 HydrophobicContact CD2-CB 3.63Å; F1213-F1241 AromaticContact CD2-CD1 3.52Å; F1213-F1241 HydrophobicContact CD2-CD1 3.52Å; F1213-F1241 AromaticContact CD2-CD2 3.62Å; F1213-F1241 HydrophobicContact CD2-CD2 3.62Å; F1213-F1241 HydrophobicContact CD2-CE1 4.03Å; F1213-F1241 HydrophobicContact CD2-CE2 4.11Å; F1213-F1241 AromaticContact CD2-CG 3.3Å; F1213-F1241 HydrophobicContact CD2-CG 3.3Å; F1213-F1241 HydrophobicContact CD2-CZ 4.29Å; F1213-F1241 HydrophobicContact CE2-CB 3.71Å; F1213-F1241 HydrophobicContact CE2-CD1 4.46Å; F1213-F1241 HydrophobicContact CE2-CD2 4.17Å; F1213-F1241 AromaticContact CE2-CG 3.88Å; F1213-F1241 HydrophobicContact CE2-CG 3.88Å; F1213-F1241 HydrophobicContact CG-CD1 4Å; F1213-F1241 HydrophobicContact CG-CE1 4.3Å; F1213-F1241 HydrophobicContact CG-CG 4.23Å; F1213-Q1253 HydrophobicContact CE1-CG 3.93Å
1214	L	69.6	Low	62.7	Low	16 Å²	16	57.4 Å²	57.4	8%	0.084	31%	0.307	C	S	.	.	H	α-helix	trans	-67.2	-47.1	177.6	-179.9	61.1	0	0	0	111.2	I968 Y971 E972 T1210 N1211 Y1216 L1217 L1218	I968-L1214 HydrophobicContact CG2-CD1 4.25Å; Y971-L1214 HydrophobicContact CD1-CD1 4.14Å; Y971-L1214 HydrophobicContact CE1-CB 4.26Å; E972-L1214 HydrophobicContact CB-CD1 3.9Å; E972-L1214 HydrophobicContact CB-CD2 4.04Å; E972-L1214 HydrophobicContact CG-CD1 4.48Å; E972-L1214 HydrophobicContact CG-CD2 3.9Å; T1210-L1214 WeakPolarHBondContact O-CB 3.44Å; T1210-L1214 PolarHBondContact O-N 3.41Å; N1211-L1214 PolarHBondContact O-N 3.22Å; L1214-Y1216 VanDerWaalsContact C-N 3.3Å; L1214-Y1216 PolarHBondContact O-N 2.94Å; L1214-L1217 WeakPolarHBondContact O-CB 3.23Å; L1214-L1217 PolarHBondContact O-N 2.84Å; L1214-L1217 VanDerWaalsContact O-N 3.15Å; L1214-L1218 HydrophobicContact CD1-CD1 4.2Å; L1214-L1218 HydrophobicContact CD1-CG 4.2Å; L1214-L1218 HydrophobicContact CG-CD1 4.03Å; L1214-L1218 HydrophobicContact CG-CG 4.45Å; L1214-L1218 WeakPolarHBondContact O-CB 3.37Å; L1214-L1218 VanDerWaalsContact O-CG 3.31Å; L1214-L1218 WeakPolarHBondContact O-CG 3.45Å; L1214-L1218 PolarHBondContact O-N 3.41Å
1215	D	68.7	Low	62	Low	89 Å²	89	62.5 Å²	62.5	48%	0.476	33%	0.334	S	S	.	.	H	α-helix	trans	-59.3	-44.3	175.8	-71.9	-18	0	0	0	110.7	N1211 L1218 Q1219	N1211-D1215 VanDerWaalsContact O-CB 3.27Å; N1211-D1215 WeakPolarHBondContact O-CB 3.5Å; N1211-D1215 PolarHBondContact O-N 3.38Å; D1215-L1218 PolarHBondContact O-N 3.11Å; D1215-Q1219 WeakPolarHBondContact O-CB 3.44Å; D1215-Q1219 VanDerWaalsContact O-CG 3.29Å; D1215-Q1219 WeakPolarHBondContact O-CG 3.41Å; D1215-Q1219 PolarHBondContact O-N 2.9Å
1216	Y	69.2	Low	61.4	Low	41 Å²	41	61.3 Å²	61.3	16%	0.161	33%	0.331	C	S	.	.	H	α-helix	trans	-63	-44.1	175	-173.2	-77.4	0	0	0	111.7	L1212 L1214 L1218 Q1219 S1220 N1234 D1237 I1238 F1241	L1212-Y1216 WeakPolarHBondContact O-CB 3.29Å; L1212-Y1216 PolarHBondContact O-N 3.1Å; L1214-Y1216 VanDerWaalsContact C-N 3.3Å; L1214-Y1216 PolarHBondContact O-N 2.94Å; Y1216-L1218 PolarHBondContact O-N 3.09Å; Y1216-Q1219 PolarHBondContact O-N 2.88Å; Y1216-S1220 VanDerWaalsContact O-CB 3.32Å; Y1216-S1220 WeakPolarHBondContact O-CB 3.14Å; Y1216-S1220 PolarHBondContact O-N 3.17Å; Y1216-S1220 PolarHBondContact O-OG 2.88Å; Y1216-N1234 VanDerWaalsContact OH-CA 3.22Å; Y1216-N1234 WeakPolarHBondContact OH-CA 3.4Å; Y1216-N1234 PolarHBondContact OH-O 2.67Å; Y1216-N1234 VanDerWaalsContact OH-O 3.07Å; Y1216-D1237 HydrophobicContact CE2-CB 4.1Å; Y1216-I1238 HydrophobicContact CD1-CD1 4.31Å; Y1216-I1238 HydrophobicContact CD1-CG1 3.77Å; Y1216-I1238 HydrophobicContact CE1-CD1 3.75Å; Y1216-I1238 HydrophobicContact CE1-CG1 3.21Å; Y1216-F1241 HydrophobicContact CG-CE2 4.26Å
1217	L	70.1	Confident	61.1	Low	0 Å²	0	63.5 Å²	63.5	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-60.4	-45.6	175.7	-79.3	175.2	0	0	0	111.1	I968 Y971 F1213 L1214 S1220 F1221 I1238 I1256 Y1260	I968-L1217 HydrophobicContact CD1-CB 4.33Å; I968-L1217 HydrophobicContact CG1-CB 4.39Å; I968-L1217 HydrophobicContact CG1-CD1 4.34Å; I968-L1217 HydrophobicContact CG1-CD2 4.5Å; I968-L1217 HydrophobicContact CG2-CB 4.34Å; Y971-L1217 HydrophobicContact CD1-CD1 4.46Å; F1213-L1217 HydrophobicContact CD1-CD1 3.61Å; F1213-L1217 HydrophobicContact CD1-CG 4.2Å; F1213-L1217 HydrophobicContact CD2-CG 4.5Å; F1213-L1217 HydrophobicContact CE1-CD1 3.28Å; F1213-L1217 HydrophobicContact CE1-CD2 4.47Å; F1213-L1217 HydrophobicContact CE1-CG 3.97Å; F1213-L1217 HydrophobicContact CE2-CD1 4.45Å; F1213-L1217 HydrophobicContact CE2-CD2 4.42Å; F1213-L1217 HydrophobicContact CE2-CG 4.26Å; F1213-L1217 HydrophobicContact CG-CD1 4.37Å; F1213-L1217 HydrophobicContact CZ-CD1 3.77Å; F1213-L1217 HydrophobicContact CZ-CD2 4.1Å; F1213-L1217 HydrophobicContact CZ-CG 4Å; F1213-L1217 VanDerWaalsContact O-CB 3.32Å; F1213-L1217 WeakPolarHBondContact O-CB 3.28Å; F1213-L1217 WeakPolarHBondContact O-CG 3.44Å; F1213-L1217 PolarHBondContact O-N 2.91Å; L1214-L1217 WeakPolarHBondContact O-CB 3.23Å; L1214-L1217 PolarHBondContact O-N 2.84Å; L1214-L1217 VanDerWaalsContact O-N 3.15Å; L1217-S1220 PolarHBondContact O-N 3.31Å; L1217-S1220 PolarHBondContact O-OG 3.49Å; L1217-F1221 VanDerWaalsContact O-CB 3.31Å; L1217-F1221 WeakPolarHBondContact O-CB 3.11Å; L1217-F1221 PolarHBondContact O-N 3.09Å; L1217-I1238 HydrophobicContact CD2-CD1 4.41Å; L1217-I1238 HydrophobicContact CD2-CG2 4.31Å; L1217-I1256 HydrophobicContact CD1-CD1 3.99Å; L1217-I1256 HydrophobicContact CD2-CG2 3.76Å; L1217-Y1260 HydrophobicContact CD2-CE2 3.88Å
1218	L	71.3	Confident	60.5	Low	74 Å²	74	65.6 Å²	65.6	39%	0.387	36%	0.356	S	S	.	.	H	α-helix	trans	-65.2	-42	178.5	-70.4	172.6	0	0	0	111.9	I968 L1214 D1215 Y1216 F1221 S1222	I968-L1218 HydrophobicContact CG2-CD2 4.03Å; L1214-L1218 HydrophobicContact CD1-CD1 4.2Å; L1214-L1218 HydrophobicContact CD1-CG 4.2Å; L1214-L1218 HydrophobicContact CG-CD1 4.03Å; L1214-L1218 HydrophobicContact CG-CG 4.45Å; L1214-L1218 WeakPolarHBondContact O-CB 3.37Å; L1214-L1218 VanDerWaalsContact O-CG 3.31Å; L1214-L1218 WeakPolarHBondContact O-CG 3.45Å; L1214-L1218 PolarHBondContact O-N 3.41Å; D1215-L1218 PolarHBondContact O-N 3.11Å; Y1216-L1218 PolarHBondContact O-N 3.09Å; L1218-F1221 PolarHBondContact O-N 2.76Å; L1218-S1222 WeakPolarHBondContact O-CB 3.46Å; L1218-S1222 PolarHBondContact O-N 3.36Å; L1218-S1222 PolarHBondContact O-OG 3.08Å
1219	Q	68.7	Low	59.9	Low	110 Å²	110	69.5 Å²	69.5	51%	0.514	37%	0.373	S	S	.	.	H	α-helix	trans	-64.5	-42.1	173.8	-76.1	-179.1	15	0	0	112.5	D1215 Y1216 F1221 S1222 K1223	D1215-Q1219 WeakPolarHBondContact O-CB 3.44Å; D1215-Q1219 VanDerWaalsContact O-CG 3.29Å; D1215-Q1219 WeakPolarHBondContact O-CG 3.41Å; D1215-Q1219 PolarHBondContact O-N 2.9Å; Y1216-Q1219 PolarHBondContact O-N 2.88Å; Q1219-F1221 VanDerWaalsContact C-N 3.29Å; Q1219-F1221 PolarHBondContact O-N 3.33Å; Q1219-S1222 PolarHBondContact O-N 3.47Å; Q1219-S1222 PolarHBondContact O-OG 2.89Å; Q1219-K1223 WeakPolarHBondContact O-CB 3.23Å; Q1219-K1223 VanDerWaalsContact O-CG 3.3Å; Q1219-K1223 WeakPolarHBondContact O-CG 3.13Å; Q1219-K1223 PolarHBondContact O-N 2.98Å; Q1219-K1223 VanDerWaalsContact O-N 3.09Å
1220	S	65.3	Low	59.2	Low	3 Å²	3	70.5 Å²	70.5	2%	0.021	38%	0.376	C	S	.	.	H	α-helix	trans	-68.2	-33	177.9	71.5	0	0	0	0	111.6	Y1216 L1217 M1224 Y1260	Y1216-S1220 VanDerWaalsContact O-CB 3.32Å; Y1216-S1220 WeakPolarHBondContact O-CB 3.14Å; Y1216-S1220 PolarHBondContact O-N 3.17Å; Y1216-S1220 PolarHBondContact O-OG 2.88Å; L1217-S1220 PolarHBondContact O-N 3.31Å; L1217-S1220 PolarHBondContact O-OG 3.49Å; S1220-M1224 WeakPolarHBondContact O-CG 3.2Å; S1220-M1224 PolarHBondContact O-N 2.53Å; S1220-Y1260 PolarHBondContact OG-OH 2.96Å
1221	F	65.7	Low	58.8	Low	22 Å²	22	72.5 Å²	72.5	10%	0.096	39%	0.385	C	S	.	.	H	α-helix	trans	-76.3	-35.7	176.9	-160.2	-90.8	0	0	0	112.5	L964 K965 I968 L1217 L1218 Q1219 M1224 N1225	L964-F1221 HydrophobicContact CB-CE2 4.45Å; L964-F1221 HydrophobicContact CD2-CD2 4.2Å; L964-F1221 HydrophobicContact CD2-CE2 4.23Å; L964-F1221 HydrophobicContact CG-CD2 4.27Å; L964-F1221 HydrophobicContact CG-CE2 4.17Å; K965-F1221 HydrophobicContact CB-CE1 4.01Å; K965-F1221 HydrophobicContact CB-CE2 3.91Å; K965-F1221 HydrophobicContact CB-CZ 3.43Å; K965-F1221 VanDerWaalsContact CB-CZ 3.43Å; K965-F1221 HydrophobicContact CD-CE1 3.76Å; K965-F1221 HydrophobicContact CD-CZ 3.92Å; K965-F1221 HydrophobicContact CG-CD1 4.5Å; K965-F1221 HydrophobicContact CG-CE1 3.68Å; K965-F1221 HydrophobicContact CG-CE2 4.44Å; K965-F1221 HydrophobicContact CG-CZ 3.68Å; I968-F1221 HydrophobicContact CD1-CB 4.08Å; I968-F1221 HydrophobicContact CD1-CD2 3.74Å; I968-F1221 HydrophobicContact CD1-CG 4.09Å; L1217-F1221 VanDerWaalsContact O-CB 3.31Å; L1217-F1221 WeakPolarHBondContact O-CB 3.11Å; L1217-F1221 PolarHBondContact O-N 3.09Å; L1218-F1221 PolarHBondContact O-N 2.76Å; Q1219-F1221 VanDerWaalsContact C-N 3.29Å; Q1219-F1221 PolarHBondContact O-N 3.33Å; F1221-M1224 PolarHBondContact O-N 3.19Å; F1221-N1225 PolarHBondContact O-ND2 2.9Å
1222	S	61.8	Low	57.9	Low	65 Å²	65	72.1 Å²	72.1	46%	0.455	39%	0.389	S	S	.	.	H	α-helix	trans	-64.4	-42.4	173.1	66	0	0	0	0	111.1	L1218 Q1219 M1224 N1225 T1226	L1218-S1222 WeakPolarHBondContact O-CB 3.46Å; L1218-S1222 PolarHBondContact O-N 3.36Å; L1218-S1222 PolarHBondContact O-OG 3.08Å; Q1219-S1222 PolarHBondContact O-N 3.47Å; Q1219-S1222 PolarHBondContact O-OG 2.89Å; S1222-M1224 VanDerWaalsContact C-N 3.33Å; S1222-M1224 PolarHBondContact O-N 3.26Å; S1222-N1225 PolarHBondContact O-N 2.97Å; S1222-N1225 VanDerWaalsContact O-N 3.17Å; S1222-T1226 PolarHBondContact O-N 2.76Å
1223	K	58.4	Low	57	Low	111 Å²	111	71 Å²	71	48%	0.483	38%	0.38	S	S	.	.	H	α-helix	trans	-66.2	-26.4	175.7	-71.4	176.4	-178.5	178.4	0	114.4	Q1219 N1225 T1226	Q1219-K1223 WeakPolarHBondContact O-CB 3.23Å; Q1219-K1223 VanDerWaalsContact O-CG 3.3Å; Q1219-K1223 WeakPolarHBondContact O-CG 3.13Å; Q1219-K1223 PolarHBondContact O-N 2.98Å; Q1219-K1223 VanDerWaalsContact O-N 3.09Å; K1223-N1225 VanDerWaalsContact C-N 3.34Å; K1223-T1226 WeakPolarHBondContact CA-OG1 3.36Å; K1223-T1226 PolarHBondContact O-OG1 3Å
1224	M	57.8	Low	56.1	Low	62 Å²	62	72.8 Å²	72.8	31%	0.305	39%	0.39	S	S	.	.	H	α-helix	trans	-72.1	-25.4	172.6	-79.1	-165.1	-151.9	0	0	113.6	L964 S1220 F1221 S1222 Y1260 L1263	L964-M1224 HydrophobicContact CD2-CE 4.37Å; S1220-M1224 WeakPolarHBondContact O-CG 3.2Å; S1220-M1224 PolarHBondContact O-N 2.53Å; F1221-M1224 PolarHBondContact O-N 3.19Å; S1222-M1224 VanDerWaalsContact C-N 3.33Å; S1222-M1224 PolarHBondContact O-N 3.26Å; M1224-Y1260 HydrophobicContact CE-CD1 3.72Å; M1224-Y1260 HydrophobicContact CE-CE1 3.12Å; M1224-L1263 HydrophobicContact CE-CD1 4.2Å; M1224-L1263 HydrophobicContact SD-CD1 4.04Å
1225	N	50.5	Low	55.1	Low	117 Å²	117	74.2 Å²	74.2	63%	0.626	40%	0.396	S	S	*	.	H	α-helix	trans	-84.4	-19.6	178.8	-67.3	-53.1	0	0	0	112.5	F1221 S1222 K1223	F1221-N1225 PolarHBondContact O-ND2 2.9Å; S1222-N1225 PolarHBondContact O-N 2.97Å; S1222-N1225 VanDerWaalsContact O-N 3.17Å; K1223-N1225 VanDerWaalsContact C-N 3.34Å
1226	T	44.7	Very low	54.2	Low	77 Å²	77	74.6 Å²	74.6	47%	0.472	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	120.7	168.7	51.2	0	0	0	0	108.1	S1222 K1223 E1228	S1222-T1226 PolarHBondContact O-N 2.76Å; K1223-T1226 WeakPolarHBondContact CA-OG1 3.36Å; K1223-T1226 PolarHBondContact O-OG1 3Å; T1226-E1228 PolarHBondContact O-N 2.92Å
1227	S	42.2	Very low	53.5	Low	129 Å²	129	75 Å²	75	90%	0.902	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	50.9	-172.6	49.8	0	0	0	0	115.2
1228	E	38.3	Very low	52.9	Low	157 Å²	157	75.1 Å²	75.1	73%	0.734	40%	0.399	S	S	*	.			trans	-116.3	134.8	178.3	-72.7	-173.3	164.8	0	0	111.2	T1226 D1230	T1226-E1228 PolarHBondContact O-N 2.92Å; E1228-D1230 PolarHBondContact O-N 2.88Å
1229	N	43.1	Very low	52.4	Low	140 Å²	140	74.6 Å²	74.6	75%	0.749	40%	0.396	S	S	*	.	S	Bend	trans	-68	8.4	-160	-86.1	-44.8	0	0	0	117.6	I1231 K1267	N1229-I1231 VanDerWaalsContact C-N 3.34Å; N1229-I1231 PolarHBondContact O-N 3.08Å; N1229-I1231 VanDerWaalsContact O-N 3.07Å; N1229-K1267 PolarHBondContact O-NZ 2.9Å; N1229-K1267 VanDerWaalsContact O-NZ 3.12Å
1230	D	44.5	Very low	51.9	Low	86 Å²	86	73.2 Å²	73.2	46%	0.46	40%	0.399	S	S	.	.			trans	-91.2	42.3	-162.9	-111.7	10.6	0	0	0	115	E1228 S1232 K1233	E1228-D1230 PolarHBondContact O-N 2.88Å; D1230-S1232 PolarHBondContact O-N 2.83Å; D1230-K1233 WeakPolarHBondContact OD2-CD 2.82Å; D1230-K1233 IonicContact OD2-NZ 2.76Å; D1230-K1233 PolarHBondContact OD2-NZ 3.26Å; D1230-K1233 VanDerWaalsContact OD2-NZ 3.15Å
1231	I	46.6	Very low	51.8	Low	44 Å²	44	74.9 Å²	74.9	23%	0.226	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-24.8	177.9	-54.5	177.7	0	0	0	110.7	N1229 Q1235 K1267	N1229-I1231 VanDerWaalsContact C-N 3.34Å; N1229-I1231 PolarHBondContact O-N 3.08Å; N1229-I1231 VanDerWaalsContact O-N 3.07Å; I1231-Q1235 VanDerWaalsContact O-CD 3.24Å; I1231-Q1235 WeakPolarHBondContact O-CG 3.43Å; I1231-Q1235 PolarHBondContact O-NE2 3.25Å; I1231-K1267 HydrophobicContact CB-CD 4.36Å; I1231-K1267 HydrophobicContact CD1-CD 3.9Å
1232	S	45.8	Very low	51.7	Low	72 Å²	72	77.9 Å²	77.9	50%	0.503	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-33	-172.1	57.8	0	0	0	0	115.7	D1230	D1230-S1232 PolarHBondContact O-N 2.83Å
1233	K	47.8	Very low	51.8	Low	76 Å²	76	79 Å²	79	33%	0.33	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-39.1	-177.7	-69.1	166.3	178.4	-175.9	0	112.4	E350 D1230 Q1235	E350-K1233 VanDerWaalsContact CD-CD 3.45Å; E350-K1233 WeakPolarHBondContact OE1-CD 3.42Å; E350-K1233 WeakPolarHBondContact OE1-CE 3.32Å; E350-K1233 WeakPolarHBondContact OE1-CG 3.43Å; E350-K1233 IonicContact OE1-NZ 3.94Å; E350-K1233 PolarHBondContact OE1-NZ 3.11Å; E350-K1233 IonicContact OE2-NZ 2.75Å; D1230-K1233 WeakPolarHBondContact OD2-CD 2.82Å; D1230-K1233 IonicContact OD2-NZ 2.76Å; D1230-K1233 PolarHBondContact OD2-NZ 3.26Å; D1230-K1233 VanDerWaalsContact OD2-NZ 3.15Å; K1233-Q1235 PolarHBondContact O-N 2.7Å
1234	N	48.8	Very low	52.5	Low	38 Å²	38	74.4 Å²	74.4	20%	0.203	41%	0.409	C	S	.	.	H	α-helix	trans	-73.6	-9.1	-178.7	-62.3	-23.7	0	0	0	113.4	Y1216	Y1216-N1234 VanDerWaalsContact OH-CA 3.22Å; Y1216-N1234 WeakPolarHBondContact OH-CA 3.4Å; Y1216-N1234 PolarHBondContact OH-O 2.67Å; Y1216-N1234 VanDerWaalsContact OH-O 3.07Å
1235	Q	48.2	Very low	53.2	Low	45 Å²	45	74.5 Å²	74.5	21%	0.21	41%	0.408	C	S	.	.	H	α-helix	trans	-76.1	-35.2	-173.1	-80.1	164.9	21.6	0	0	114.5	I1231 K1233 L1239 I1264	I1231-Q1235 VanDerWaalsContact O-CD 3.24Å; I1231-Q1235 WeakPolarHBondContact O-CG 3.43Å; I1231-Q1235 PolarHBondContact O-NE2 3.25Å; K1233-Q1235 PolarHBondContact O-N 2.7Å; Q1235-L1239 WeakPolarHBondContact O-CG 3.3Å; Q1235-I1264 HydrophobicContact CB-CD1 4.27Å; Q1235-I1264 HydrophobicContact CG-CD1 3.57Å; Q1235-I1264 HydrophobicContact CG-CG1 3.85Å
1236	K	48.9	Very low	54.7	Low	98 Å²	98	69 Å²	69	43%	0.426	38%	0.38	S	S	.	.	H	α-helix	trans	-75.9	-32.2	-175.3	-75	-175.7	178.9	176.8	0	111.7	E348 S1240	E348-K1236 HydrophobicContact CB-CD 4.19Å; E348-K1236 HydrophobicContact CG-CD 3.96Å; K1236-S1240 WeakPolarHBondContact O-CB 3.03Å; K1236-S1240 PolarHBondContact O-N 2.97Å; K1236-S1240 VanDerWaalsContact O-N 3.15Å; K1236-S1240 PolarHBondContact O-OG 3.35Å
1237	D	55.8	Low	56.5	Low	50 Å²	50	66.8 Å²	66.8	27%	0.267	36%	0.364	S	S	.	.	H	α-helix	trans	-80.1	-37.8	-174.2	-64.9	-24.1	0	0	0	114	Y1216 L1239 S1240 F1241	Y1216-D1237 HydrophobicContact CE2-CB 4.1Å; D1237-L1239 VanDerWaalsContact C-N 3.26Å; D1237-L1239 PolarHBondContact O-N 3.18Å; D1237-S1240 VanDerWaalsContact CA-OG 3.31Å; D1237-S1240 WeakPolarHBondContact CA-OG 3.39Å; D1237-S1240 PolarHBondContact O-N 2.94Å; D1237-S1240 VanDerWaalsContact O-N 3.13Å; D1237-S1240 PolarHBondContact O-OG 2.77Å; D1237-F1241 WeakPolarHBondContact O-CD2 3.4Å; D1237-F1241 PolarHBondContact O-N 3.11Å
1238	I	57.8	Low	58.4	Low	1 Å²	1	60.8 Å²	60.8	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-66.1	-34.7	176.2	-56.8	178.4	0	0	0	111.1	F1213 Y1216 L1217 S1240 R1257 Y1260	F1213-I1238 HydrophobicContact CE2-CG2 4.21Å; F1213-I1238 HydrophobicContact CZ-CG2 4.45Å; Y1216-I1238 HydrophobicContact CD1-CD1 4.31Å; Y1216-I1238 HydrophobicContact CD1-CG1 3.77Å; Y1216-I1238 HydrophobicContact CE1-CD1 3.75Å; Y1216-I1238 HydrophobicContact CE1-CG1 3.21Å; L1217-I1238 HydrophobicContact CD2-CD1 4.41Å; L1217-I1238 HydrophobicContact CD2-CG2 4.31Å; I1238-S1240 VanDerWaalsContact C-N 3.32Å; I1238-R1257 HydrophobicContact CG2-CG 4.49Å; I1238-R1257 PolarHBondContact O-NE 3.46Å; I1238-Y1260 HydrophobicContact CD1-CD1 3.81Å; I1238-Y1260 HydrophobicContact CD1-CD2 4.18Å; I1238-Y1260 HydrophobicContact CD1-CE1 3.23Å; I1238-Y1260 HydrophobicContact CD1-CE2 3.71Å; I1238-Y1260 HydrophobicContact CD1-CG 4.26Å; I1238-Y1260 HydrophobicContact CG2-CD2 4.09Å; I1238-Y1260 HydrophobicContact CG2-CE2 4.2Å
1239	L	60.5	Low	60.6	Low	64 Å²	64	53.5 Å²	53.5	34%	0.335	29%	0.289	S	S	.	.	H	α-helix	trans	-76.6	-20.9	177.7	-64.4	179.6	0	0	0	112.3	Q1235 D1237 R1257 R1261	Q1235-L1239 WeakPolarHBondContact O-CG 3.3Å; D1237-L1239 VanDerWaalsContact C-N 3.26Å; D1237-L1239 PolarHBondContact O-N 3.18Å; L1239-R1257 HydrophobicContact CD2-CB 3.93Å; L1239-R1257 HydrophobicContact CD2-CG 3.99Å; L1239-R1261 HydrophobicContact CD2-CG 4.33Å
1240	S	58.5	Low	62.7	Low	80 Å²	80	50.9 Å²	50.9	56%	0.559	27%	0.268	S	S	*	.	H	α-helix	trans	-94.4	-19	179.4	72.3	0	0	0	0	114.3	K1236 D1237 I1238	K1236-S1240 WeakPolarHBondContact O-CB 3.03Å; K1236-S1240 PolarHBondContact O-N 2.97Å; K1236-S1240 VanDerWaalsContact O-N 3.15Å; K1236-S1240 PolarHBondContact O-OG 3.35Å; D1237-S1240 VanDerWaalsContact CA-OG 3.31Å; D1237-S1240 WeakPolarHBondContact CA-OG 3.39Å; D1237-S1240 PolarHBondContact O-N 2.94Å; D1237-S1240 VanDerWaalsContact O-N 3.13Å; D1237-S1240 PolarHBondContact O-OG 2.77Å; I1238-S1240 VanDerWaalsContact C-N 3.32Å
1241	F	62.6	Low	64.7	Low	38 Å²	38	48.6 Å²	48.6	17%	0.167	26%	0.256	C	S	.	.	S	Bend	trans	-54.2	131.8	179.3	-111	-87.7	0	0	0	112.3	L1212 F1213 Y1216 D1237 N1243 R1257	L1212-F1241 HydrophobicContact CB-CE1 4.33Å; L1212-F1241 HydrophobicContact CB-CZ 4.12Å; F1213-F1241 HydrophobicContact CB-CD1 3.78Å; F1213-F1241 HydrophobicContact CB-CE1 3.64Å; F1213-F1241 HydrophobicContact CB-CG 4.44Å; F1213-F1241 HydrophobicContact CB-CZ 4.19Å; F1213-F1241 HydrophobicContact CD2-CB 3.63Å; F1213-F1241 AromaticContact CD2-CD1 3.52Å; F1213-F1241 HydrophobicContact CD2-CD1 3.52Å; F1213-F1241 AromaticContact CD2-CD2 3.62Å; F1213-F1241 HydrophobicContact CD2-CD2 3.62Å; F1213-F1241 HydrophobicContact CD2-CE1 4.03Å; F1213-F1241 HydrophobicContact CD2-CE2 4.11Å; F1213-F1241 AromaticContact CD2-CG 3.3Å; F1213-F1241 HydrophobicContact CD2-CG 3.3Å; F1213-F1241 HydrophobicContact CD2-CZ 4.29Å; F1213-F1241 HydrophobicContact CE2-CB 3.71Å; F1213-F1241 HydrophobicContact CE2-CD1 4.46Å; F1213-F1241 HydrophobicContact CE2-CD2 4.17Å; F1213-F1241 AromaticContact CE2-CG 3.88Å; F1213-F1241 HydrophobicContact CE2-CG 3.88Å; F1213-F1241 HydrophobicContact CG-CD1 4Å; F1213-F1241 HydrophobicContact CG-CE1 4.3Å; F1213-F1241 HydrophobicContact CG-CG 4.23Å; Y1216-F1241 HydrophobicContact CG-CE2 4.26Å; D1237-F1241 WeakPolarHBondContact O-CD2 3.4Å; D1237-F1241 PolarHBondContact O-N 3.11Å; F1241-N1243 PolarHBondContact O-N 2.79Å; F1241-R1257 PolarHBondContact O-NH2 2.86Å
1242	P	62.8	Low	66.8	Low	86 Å²	86	46.5 Å²	46.5	56%	0.558	25%	0.245	S	C	*	.	P	Polyproline II helix	trans	-59.7	135.7	-177.3	20.1	-30.3	0	0	0	111.5	I1244	P1242-I1244 PolarHBondContact O-N 2.81Å
1243	N	65.3	Low	68.7	Low	88 Å²	88	43.1 Å²	43.1	47%	0.471	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-69.8	122.4	173.6	-87.6	-35.7	0	0	0	109.6	F1241 Q1245 Q1253 R1257	F1241-N1243 PolarHBondContact O-N 2.79Å; N1243-Q1245 PolarHBondContact O-N 2.97Å; N1243-Q1253 PolarHBondContact OD1-OE1 2.8Å; N1243-R1257 PolarHBondContact OD1-NH1 2.86Å; N1243-R1257 PolarHBondContact OD1-NH2 2.92Å
1244	I	72.4	Confident	70.5	Confident	15 Å²	15	45.7 Å²	45.7	8%	0.077	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-64.5	134.7	167.7	-65.8	166.4	0	0	0	107.4	Y971 L1204 T1210 P1242 S1246 I1249 R1250	Y971-I1244 WeakPolarHBondContact OH-CD1 3.48Å; L1204-I1244 HydrophobicContact CD2-CD1 4.06Å; L1204-I1244 HydrophobicContact CD2-CG1 4.23Å; L1204-I1244 HydrophobicContact CD2-CG2 3.9Å; T1210-I1244 HydrophobicContact CG2-CD1 3.27Å; P1242-I1244 PolarHBondContact O-N 2.81Å; I1244-S1246 VanDerWaalsContact C-N 3.28Å; I1244-S1246 PolarHBondContact O-N 3.38Å; I1244-I1249 HydrophobicContact CB-CG2 3.95Å; I1244-I1249 HydrophobicContact CD1-CG2 3.75Å; I1244-I1249 HydrophobicContact CG1-CG2 4.44Å; I1244-I1249 HydrophobicContact CG2-CB 4.27Å; I1244-I1249 HydrophobicContact CG2-CD1 4.25Å; I1244-I1249 HydrophobicContact CG2-CG2 4.11Å; I1244-R1250 WeakPolarHBondContact O-CB 3.49Å
1245	Q	73.1	Confident	72.5	Confident	63 Å²	63	45.1 Å²	45.1	29%	0.294	23%	0.228	S	C	.	.	S	Bend	trans	-77.6	-14.7	-172.3	-64	-164.4	16.4	0	0	113.5	F1200 T1202 N1243 D1247	F1200-Q1245 HydrophobicContact CE1-CB 4.21Å; T1202-Q1245 HydrophobicContact CG2-CB 4.03Å; N1243-Q1245 PolarHBondContact O-N 2.97Å; Q1245-D1247 PolarHBondContact O-N 3.25Å
1246	S	80.7	Confident	74.4	Confident	3 Å²	3	43 Å²	43	2%	0.021	22%	0.218	C	C	.	.	S	Bend	trans	-60.4	125.1	173.9	-177.9	0	0	0	0	111.6	F1200 H1201 I1244 D1248 I1249 R1250	F1200-S1246 WeakPolarHBondContact O-CA 3.48Å; H1201-S1246 PolarHBondContact ND1-OG 2.86Å; I1244-S1246 VanDerWaalsContact C-N 3.28Å; I1244-S1246 PolarHBondContact O-N 3.38Å; S1246-D1248 PolarHBondContact O-N 2.93Å; S1246-I1249 PolarHBondContact O-N 3.49Å; S1246-R1250 VanDerWaalsContact O-CB 3.23Å; S1246-R1250 WeakPolarHBondContact O-CB 3.3Å; S1246-R1250 PolarHBondContact O-N 2.96Å
1247	D	83.8	Confident	76.1	Confident	29 Å²	29	39.3 Å²	39.3	16%	0.155	20%	0.202	C	C	.	.	H	α-helix	trans	-61.7	-40.3	-169.2	-86.6	-39.4	0	0	0	113.8	F1200 Q1245 R1250 L1251	F1200-D1247 PolarHBondContact N-OD2 3.07Å; F1200-D1247 VanDerWaalsContact N-OD2 3.11Å; F1200-D1247 PolarHBondContact O-N 2.9Å; Q1245-D1247 PolarHBondContact O-N 3.25Å; D1247-R1250 IonicContact OD1-CZ 2.81Å; D1247-R1250 IonicContact OD1-NE 2.59Å; D1247-R1250 IonicContact OD1-NH2 3.35Å; D1247-R1250 PolarHBondContact OD1-NH2 3.27Å; D1247-L1251 VanDerWaalsContact O-CG 3.28Å; D1247-L1251 WeakPolarHBondContact O-CG 3.45Å; D1247-L1251 PolarHBondContact O-N 2.97Å
1248	D	82.2	Confident	77.5	Confident	4 Å²	4	39.2 Å²	39.2	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-68.6	-39	-179.4	-77.8	-32.6	0	0	0	112.2	S886 R1199 H1201 S1246	S886-D1248 WeakPolarHBondContact CB-O 3.31Å; S886-D1248 PolarHBondContact N-OD1 2.97Å; S886-D1248 WeakPolarHBondContact OG-CA 3.07Å; S886-D1248 WeakPolarHBondContact OG-CB 3.48Å; S886-D1248 PolarHBondContact OG-O 2.93Å; R1199-D1248 IonicContact CZ-OD2 3.79Å; R1199-D1248 IonicContact NH1-OD1 3.82Å; R1199-D1248 IonicContact NH1-OD2 2.83Å; R1199-D1248 PolarHBondContact NH1-OD2 3.32Å; H1201-D1248 IonicContact CE1-OD2 3.15Å; H1201-D1248 PolarHBondContact CE1-OD2 3.22Å; H1201-D1248 VanDerWaalsContact CE1-OD2 3.3Å; H1201-D1248 IonicContact NE2-OD2 3.45Å; S1246-D1248 PolarHBondContact O-N 2.93Å
1249	I	84.7	Confident	78.9	Confident	4 Å²	4	39.2 Å²	39.2	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-74.4	-45.7	-178.8	-61.6	177.7	0	0	0	110	Y971 T975 L1204 I1244 S1246 L1251 I1252 Q1253	Y971-I1249 HydrophobicContact CD2-CG2 4.16Å; Y971-I1249 HydrophobicContact CE2-CG2 3.45Å; Y971-I1249 VanDerWaalsContact CE2-CG2 3.45Å; T975-I1249 HydrophobicContact CG2-CD1 4.21Å; L1204-I1249 HydrophobicContact CD1-CD1 3.63Å; I1244-I1249 HydrophobicContact CB-CG2 3.95Å; I1244-I1249 HydrophobicContact CD1-CG2 3.75Å; I1244-I1249 HydrophobicContact CG1-CG2 4.44Å; I1244-I1249 HydrophobicContact CG2-CB 4.27Å; I1244-I1249 HydrophobicContact CG2-CD1 4.25Å; I1244-I1249 HydrophobicContact CG2-CG2 4.11Å; S1246-I1249 PolarHBondContact O-N 3.49Å; I1249-L1251 VanDerWaalsContact C-N 3.3Å; I1249-L1251 PolarHBondContact O-N 3.46Å; I1249-I1252 PolarHBondContact O-N 3.37Å; I1249-Q1253 HydrophobicContact CG2-CG 4.27Å; I1249-Q1253 WeakPolarHBondContact O-CG 3.2Å; I1249-Q1253 PolarHBondContact O-N 3.32Å
1250	R	85.2	Confident	80	Confident	84 Å²	84	36.8 Å²	36.8	32%	0.317	19%	0.19	S	C	.	.	H	α-helix	trans	-57	-40.5	-178.8	-172.4	178.8	58.2	75.7	1.5	113.1	I1244 S1246 D1247 K1254	I1244-R1250 WeakPolarHBondContact O-CB 3.49Å; S1246-R1250 VanDerWaalsContact O-CB 3.23Å; S1246-R1250 WeakPolarHBondContact O-CB 3.3Å; S1246-R1250 PolarHBondContact O-N 2.96Å; D1247-R1250 IonicContact OD1-CZ 2.81Å; D1247-R1250 IonicContact OD1-NE 2.59Å; D1247-R1250 IonicContact OD1-NH2 3.35Å; D1247-R1250 PolarHBondContact OD1-NH2 3.27Å; R1250-K1254 WeakPolarHBondContact O-CB 3.37Å; R1250-K1254 PolarHBondContact O-N 2.94Å
1251	L	88.1	Confident	81.1	Confident	38 Å²	38	39.7 Å²	39.7	20%	0.199	19%	0.189	C	C	.	.	H	α-helix	trans	-66.8	-43.3	-179.9	-72.5	175.7	0	0	0	111.6	R887 L890 D1247 I1249 K1254 E1255	R887-L1251 HydrophobicContact CB-CD1 3.77Å; R887-L1251 HydrophobicContact CG-CD1 4.41Å; L890-L1251 HydrophobicContact CD1-CB 3.92Å; D1247-L1251 VanDerWaalsContact O-CG 3.28Å; D1247-L1251 WeakPolarHBondContact O-CG 3.45Å; D1247-L1251 PolarHBondContact O-N 2.97Å; I1249-L1251 VanDerWaalsContact C-N 3.3Å; I1249-L1251 PolarHBondContact O-N 3.46Å; L1251-K1254 WeakPolarHBondContact O-CB 3.49Å; L1251-K1254 PolarHBondContact O-N 3.15Å; L1251-E1255 PolarHBondContact O-N 3.4Å
1252	I	89.1	Confident	82.1	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.1	-44.4	175.9	-60.4	-61.6	0	0	0	110.6	S886 W889 L890 R970 Y971 L974 I1249 K1254 E1255 I1256	S886-I1252 WeakPolarHBondContact OG-CG1 3.31Å; W889-I1252 HydrophobicContact CE3-CD1 4.09Å; W889-I1252 HydrophobicContact CZ3-CD1 4.34Å; L890-I1252 HydrophobicContact CD1-CD1 4.09Å; L890-I1252 HydrophobicContact CD2-CD1 4.11Å; L890-I1252 HydrophobicContact CG-CD1 3.95Å; R970-I1252 HydrophobicContact CG-CD1 3.98Å; R970-I1252 HydrophobicContact CG-CG1 4.34Å; Y971-I1252 HydrophobicContact CD2-CG2 4.34Å; L974-I1252 HydrophobicContact CD1-CG1 3.83Å; I1249-I1252 PolarHBondContact O-N 3.37Å; I1252-K1254 VanDerWaalsContact C-N 3.25Å; I1252-K1254 PolarHBondContact O-N 3.06Å; I1252-E1255 PolarHBondContact O-N 2.69Å; I1252-E1255 VanDerWaalsContact O-N 3.07Å; I1252-I1256 HydrophobicContact CG2-CD1 3.95Å; I1252-I1256 HydrophobicContact CG2-CG1 4.34Å; I1252-I1256 WeakPolarHBondContact O-CG1 3.48Å; I1252-I1256 PolarHBondContact O-N 3.02Å
1253	Q	85.5	Confident	83.1	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-56.7	-38.6	174	-71.5	-174.6	-26.9	0	0	112.4	Y971 F1213 N1243 I1249 R1257	Y971-Q1253 HydrophobicContact CD2-CG 4.01Å; Y971-Q1253 HydrophobicContact CE2-CG 3.46Å; Y971-Q1253 VanDerWaalsContact CE2-CG 3.46Å; Y971-Q1253 PolarHBondContact OH-NE2 2.82Å; F1213-Q1253 HydrophobicContact CE1-CG 3.93Å; N1243-Q1253 PolarHBondContact OD1-OE1 2.8Å; I1249-Q1253 HydrophobicContact CG2-CG 4.27Å; I1249-Q1253 WeakPolarHBondContact O-CG 3.2Å; I1249-Q1253 PolarHBondContact O-N 3.32Å; Q1253-R1257 WeakPolarHBondContact O-CG 3.42Å; Q1253-R1257 PolarHBondContact O-N 3.49Å; Q1253-R1257 VanDerWaalsContact O-N 3.07Å; Q1253-R1257 PolarHBondContact O-NH1 2.89Å
1254	K	86.6	Confident	83.6	Confident	130 Å²	130	32.9 Å²	32.9	57%	0.565	15%	0.149	S	C	*	.	H	α-helix	trans	-66.3	-40.2	176.2	-175.2	-179.9	178.2	-179.8	0	112	R1250 L1251 I1252 R1257 T1258	R1250-K1254 WeakPolarHBondContact O-CB 3.37Å; R1250-K1254 PolarHBondContact O-N 2.94Å; L1251-K1254 WeakPolarHBondContact O-CB 3.49Å; L1251-K1254 PolarHBondContact O-N 3.15Å; I1252-K1254 VanDerWaalsContact C-N 3.25Å; I1252-K1254 PolarHBondContact O-N 3.06Å; K1254-R1257 PolarHBondContact O-N 3.26Å; K1254-T1258 PolarHBondContact O-N 3.45Å; K1254-T1258 PolarHBondContact O-OG1 2.76Å
1255	E	90	Very high	83.9	Confident	26 Å²	26	34.4 Å²	34.4	12%	0.121	16%	0.161	C	C	.	.	H	α-helix	trans	-68.7	-42.5	177.7	-158.9	71.4	-168.1	0	0	111.4	L890 S894 I895 Y967 L1251 I1252 R1257 T1258 A1259	L890-E1255 HydrophobicContact CD1-CB 4.24Å; L890-E1255 HydrophobicContact CD2-CB 3.73Å; L890-E1255 HydrophobicContact CD2-CG 3.56Å; S894-E1255 WeakPolarHBondContact CA-OE1 3.46Å; S894-E1255 VanDerWaalsContact CB-OE1 3.27Å; S894-E1255 WeakPolarHBondContact CB-OE1 3.45Å; I895-E1255 WeakPolarHBondContact CB-OE1 3.48Å; I895-E1255 HydrophobicContact CD1-CG 4.33Å; I895-E1255 HydrophobicContact CG1-CG 4.4Å; I895-E1255 WeakPolarHBondContact CG1-OE1 3.37Å; I895-E1255 PolarHBondContact N-OE1 3.29Å; Y967-E1255 HydrophobicContact CD2-CB 4.42Å; Y967-E1255 HydrophobicContact CD2-CG 3.98Å; Y967-E1255 HydrophobicContact CE1-CG 4.28Å; Y967-E1255 HydrophobicContact CE2-CB 4.41Å; Y967-E1255 HydrophobicContact CE2-CG 3.51Å; L1251-E1255 PolarHBondContact O-N 3.4Å; I1252-E1255 PolarHBondContact O-N 2.69Å; I1252-E1255 VanDerWaalsContact O-N 3.07Å; E1255-R1257 VanDerWaalsContact C-N 3.35Å; E1255-R1257 PolarHBondContact O-N 2.85Å; E1255-T1258 CarbonylContact O-C 2.85Å; E1255-T1258 WeakPolarHBondContact O-CA 3.22Å; E1255-T1258 WeakPolarHBondContact O-CB 3.06Å; E1255-T1258 PolarHBondContact O-N 3.18Å; E1255-A1259 PolarHBondContact O-N 2.98Å
1256	I	87.9	Confident	84.3	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-52.9	-52.6	172.3	-70.3	172.1	0	0	0	109.9	L964 Y971 L1217 I1252 T1258 A1259 Y1260	L964-I1256 HydrophobicContact CD1-CB 4.5Å; L964-I1256 HydrophobicContact CD1-CG2 3.98Å; Y971-I1256 HydrophobicContact CD2-CD1 4.49Å; Y971-I1256 HydrophobicContact CG-CD1 4.44Å; L1217-I1256 HydrophobicContact CD1-CD1 3.99Å; L1217-I1256 HydrophobicContact CD2-CG2 3.76Å; I1252-I1256 HydrophobicContact CG2-CD1 3.95Å; I1252-I1256 HydrophobicContact CG2-CG1 4.34Å; I1252-I1256 WeakPolarHBondContact O-CG1 3.48Å; I1252-I1256 PolarHBondContact O-N 3.02Å; I1256-T1258 PolarHBondContact O-N 3.43Å; I1256-A1259 WeakPolarHBondContact O-CB 3.39Å; I1256-A1259 PolarHBondContact O-N 3.05Å; I1256-A1259 VanDerWaalsContact O-N 3.08Å; I1256-Y1260 HydrophobicContact CG2-CD2 3.78Å; I1256-Y1260 HydrophobicContact CG2-CE2 3.69Å; I1256-Y1260 WeakPolarHBondContact O-CD2 3.37Å; I1256-Y1260 PolarHBondContact O-N 3.09Å
1257	R	84.6	Confident	84.3	Confident	21 Å²	21	33.3 Å²	33.3	8%	0.079	15%	0.154	C	C	.	.	H	α-helix	trans	-59.7	-33.4	177.2	-70	-171.8	-165	97.7	-13	113.1	I1238 L1239 F1241 N1243 Q1253 K1254 E1255 R1261	I1238-R1257 HydrophobicContact CG2-CG 4.49Å; I1238-R1257 PolarHBondContact O-NE 3.46Å; L1239-R1257 HydrophobicContact CD2-CB 3.93Å; L1239-R1257 HydrophobicContact CD2-CG 3.99Å; F1241-R1257 PolarHBondContact O-NH2 2.86Å; N1243-R1257 PolarHBondContact OD1-NH1 2.86Å; N1243-R1257 PolarHBondContact OD1-NH2 2.92Å; Q1253-R1257 WeakPolarHBondContact O-CG 3.42Å; Q1253-R1257 PolarHBondContact O-N 3.49Å; Q1253-R1257 VanDerWaalsContact O-N 3.07Å; Q1253-R1257 PolarHBondContact O-NH1 2.89Å; K1254-R1257 PolarHBondContact O-N 3.26Å; E1255-R1257 VanDerWaalsContact C-N 3.35Å; E1255-R1257 PolarHBondContact O-N 2.85Å; R1257-R1261 VanDerWaalsContact O-CG 3.32Å; R1257-R1261 WeakPolarHBondContact O-CG 3.41Å; R1257-R1261 PolarHBondContact O-N 3.39Å
1258	T	86.6	Confident	84.1	Confident	49 Å²	49	36.8 Å²	36.8	30%	0.301	17%	0.166	S	C	.	.	H	α-helix	trans	-70.4	-37.7	176.9	-54	0	0	0	0	111.4	I895 K1254 E1255 I1256 R1261 T1262	I895-T1258 HydrophobicContact CD1-CG2 3.71Å; K1254-T1258 PolarHBondContact O-N 3.45Å; K1254-T1258 PolarHBondContact O-OG1 2.76Å; E1255-T1258 CarbonylContact O-C 2.85Å; E1255-T1258 WeakPolarHBondContact O-CA 3.22Å; E1255-T1258 WeakPolarHBondContact O-CB 3.06Å; E1255-T1258 PolarHBondContact O-N 3.18Å; I1256-T1258 PolarHBondContact O-N 3.43Å; T1258-R1261 PolarHBondContact O-N 3.39Å; T1258-T1262 PolarHBondContact O-N 2.95Å; T1258-T1262 PolarHBondContact O-OG1 3.03Å
1259	A	87.3	Confident	84	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-65.3	-47.7	174.9	0	0	0	0	0	111	I895 V960 L964 Y967 E1255 I1256 R1261 T1262 L1263	I895-A1259 VanDerWaalsContact CD1-CA 3.42Å; I895-A1259 HydrophobicContact CD1-CB 3.7Å; I895-A1259 HydrophobicContact CG1-CB 4.47Å; V960-A1259 HydrophobicContact CG1-CB 4.41Å; L964-A1259 HydrophobicContact CB-CB 4.13Å; L964-A1259 HydrophobicContact CD1-CB 4Å; Y967-A1259 HydrophobicContact CD2-CB 4.4Å; Y967-A1259 HydrophobicContact CE2-CB 4.38Å; E1255-A1259 PolarHBondContact O-N 2.98Å; I1256-A1259 WeakPolarHBondContact O-CB 3.39Å; I1256-A1259 PolarHBondContact O-N 3.05Å; I1256-A1259 VanDerWaalsContact O-N 3.08Å; A1259-R1261 PolarHBondContact O-N 3.33Å; A1259-T1262 WeakPolarHBondContact O-CB 3.26Å; A1259-T1262 PolarHBondContact O-N 3.14Å; A1259-L1263 PolarHBondContact O-N 2.91Å
1260	Y	83.3	Confident	83.8	Confident	13 Å²	13	37.2 Å²	37.2	5%	0.051	17%	0.168	C	C	.	.	H	α-helix	trans	-56.3	-47.9	174.4	-85.9	-85.1	0	0	0	111.8	L964 L1217 S1220 M1224 I1238 I1256 T1262 L1263 I1264	L964-Y1260 HydrophobicContact CD1-CD2 3.87Å; L964-Y1260 HydrophobicContact CD1-CE2 3.56Å; L964-Y1260 HydrophobicContact CD2-CD2 4.16Å; L964-Y1260 HydrophobicContact CD2-CE1 4.3Å; L964-Y1260 HydrophobicContact CD2-CE2 3.77Å; L964-Y1260 HydrophobicContact CG-CE2 4.25Å; L1217-Y1260 HydrophobicContact CD2-CE2 3.88Å; S1220-Y1260 PolarHBondContact OG-OH 2.96Å; M1224-Y1260 HydrophobicContact CE-CD1 3.72Å; M1224-Y1260 HydrophobicContact CE-CE1 3.12Å; I1238-Y1260 HydrophobicContact CD1-CD1 3.81Å; I1238-Y1260 HydrophobicContact CD1-CD2 4.18Å; I1238-Y1260 HydrophobicContact CD1-CE1 3.23Å; I1238-Y1260 HydrophobicContact CD1-CE2 3.71Å; I1238-Y1260 HydrophobicContact CD1-CG 4.26Å; I1238-Y1260 HydrophobicContact CG2-CD2 4.09Å; I1238-Y1260 HydrophobicContact CG2-CE2 4.2Å; I1256-Y1260 HydrophobicContact CG2-CD2 3.78Å; I1256-Y1260 HydrophobicContact CG2-CE2 3.69Å; I1256-Y1260 WeakPolarHBondContact O-CD2 3.37Å; I1256-Y1260 PolarHBondContact O-N 3.09Å; Y1260-T1262 PolarHBondContact O-N 2.97Å; Y1260-L1263 PolarHBondContact O-N 3.42Å; Y1260-I1264 VanDerWaalsContact O-CG1 3.24Å; Y1260-I1264 WeakPolarHBondContact O-CG1 3.26Å; Y1260-I1264 PolarHBondContact O-N 2.9Å
1261	R	81.8	Confident	83.5	Confident	142 Å²	142	36.4 Å²	36.4	54%	0.536	17%	0.17	S	C	.	.	H	α-helix	trans	-57.4	-37.4	175.5	-75.7	174.8	-179.7	170.5	-0	112.9	L1239 R1257 T1258 A1259 I1264 C1265	L1239-R1261 HydrophobicContact CD2-CG 4.33Å; R1257-R1261 VanDerWaalsContact O-CG 3.32Å; R1257-R1261 WeakPolarHBondContact O-CG 3.41Å; R1257-R1261 PolarHBondContact O-N 3.39Å; T1258-R1261 PolarHBondContact O-N 3.39Å; A1259-R1261 PolarHBondContact O-N 3.33Å; R1261-I1264 PolarHBondContact O-N 3.05Å; R1261-C1265 PolarHBondContact O-N 3.12Å; R1261-C1265 VanDerWaalsContact O-N 3.14Å; R1261-C1265 PolarHBondContact O-SG 3Å; R1261-C1265 VanDerWaalsContact O-SG 3.37Å
1262	T	83	Confident	83	Confident	13 Å²	13	35.3 Å²	35.3	8%	0.08	17%	0.165	C	C	.	.	H	α-helix	trans	-67.7	-44.2	178.2	-55.2	0	0	0	0	111.1	L902 F956 V960 T1258 A1259 Y1260 I1264 C1265 L1266	L902-T1262 HydrophobicContact CB-CG2 4.44Å; L902-T1262 HydrophobicContact CD1-CG2 4.16Å; F956-T1262 HydrophobicContact CE1-CG2 4.1Å; V960-T1262 HydrophobicContact CG1-CG2 4.32Å; V960-T1262 HydrophobicContact CG2-CG2 4.03Å; T1258-T1262 PolarHBondContact O-N 2.95Å; T1258-T1262 PolarHBondContact O-OG1 3.03Å; A1259-T1262 WeakPolarHBondContact O-CB 3.26Å; A1259-T1262 PolarHBondContact O-N 3.14Å; Y1260-T1262 PolarHBondContact O-N 2.97Å; T1262-I1264 VanDerWaalsContact C-N 3.35Å; T1262-I1264 PolarHBondContact O-N 2.91Å; T1262-C1265 PolarHBondContact O-N 3.44Å; T1262-L1266 HydrophobicContact CG2-CD1 4.27Å; T1262-L1266 VanDerWaalsContact O-CG 3.32Å; T1262-L1266 WeakPolarHBondContact O-CG 3.49Å; T1262-L1266 PolarHBondContact O-N 3.31Å
1263	L	84	Confident	82.4	Confident	10 Å²	10	37.8 Å²	37.8	5%	0.052	17%	0.174	C	C	.	.	H	α-helix	trans	-59.7	-42.5	174.5	-68.8	172	0	0	0	112.3	E957 V960 L964 M1224 A1259 Y1260 C1265 L1266 K1267	E957-L1263 HydrophobicContact CG-CD2 3.83Å; V960-L1263 HydrophobicContact CB-CD2 3.91Å; V960-L1263 HydrophobicContact CB-CG 4.48Å; V960-L1263 HydrophobicContact CG1-CD1 4.44Å; V960-L1263 HydrophobicContact CG1-CD2 3.7Å; V960-L1263 HydrophobicContact CG1-CG 3.71Å; L964-L1263 HydrophobicContact CD2-CD1 3.76Å; M1224-L1263 HydrophobicContact CE-CD1 4.2Å; M1224-L1263 HydrophobicContact SD-CD1 4.04Å; A1259-L1263 PolarHBondContact O-N 2.91Å; Y1260-L1263 PolarHBondContact O-N 3.42Å; L1263-C1265 PolarHBondContact O-N 2.94Å; L1263-L1266 HydrophobicContact CD2-CD1 4.46Å; L1263-L1266 PolarHBondContact O-N 3.31Å; L1263-K1267 PolarHBondContact O-N 3.3Å
1264	I	76.4	Confident	81.9	Confident	46 Å²	46	42.3 Å²	42.3	24%	0.236	19%	0.194	C	C	.	.	H	α-helix	trans	-59.5	-47	176.6	-62.8	165.7	0	0	0	110.9	Q1235 Y1260 R1261 T1262 L1266 K1267 Y1268	Q1235-I1264 HydrophobicContact CB-CD1 4.27Å; Q1235-I1264 HydrophobicContact CG-CD1 3.57Å; Q1235-I1264 HydrophobicContact CG-CG1 3.85Å; Y1260-I1264 VanDerWaalsContact O-CG1 3.24Å; Y1260-I1264 WeakPolarHBondContact O-CG1 3.26Å; Y1260-I1264 PolarHBondContact O-N 2.9Å; R1261-I1264 PolarHBondContact O-N 3.05Å; T1262-I1264 VanDerWaalsContact C-N 3.35Å; T1262-I1264 PolarHBondContact O-N 2.91Å; I1264-L1266 VanDerWaalsContact C-N 3.32Å; I1264-L1266 PolarHBondContact O-N 2.86Å; I1264-K1267 PolarHBondContact O-N 3.44Å; I1264-Y1268 PolarHBondContact O-N 3.2Å; I1264-Y1268 VanDerWaalsContact O-N 3.14Å
1265	C	78.4	Confident	81.3	Confident	47 Å²	47	42 Å²	42	32%	0.318	20%	0.195	S	C	.	.	H	α-helix	trans	-66.5	-33.1	178.7	-68.7	0	0	0	0	113	L902 R1261 T1262 L1263 Y1268 F1269	L902-C1265 HydrophobicContact CD1-CB 3.66Å; L902-C1265 HydrophobicContact CD2-CB 3.37Å; L902-C1265 HydrophobicContact CG-CB 4.16Å; R1261-C1265 PolarHBondContact O-N 3.12Å; R1261-C1265 VanDerWaalsContact O-N 3.14Å; R1261-C1265 PolarHBondContact O-SG 3Å; R1261-C1265 VanDerWaalsContact O-SG 3.37Å; T1262-C1265 PolarHBondContact O-N 3.44Å; L1263-C1265 PolarHBondContact O-N 2.94Å; C1265-Y1268 PolarHBondContact O-N 3.28Å; C1265-F1269 WeakPolarHBondContact O-CD1 3.5Å; C1265-F1269 WeakPolarHBondContact O-CG 3.17Å; C1265-F1269 PolarHBondContact O-N 3.17Å
1266	L	81.9	Confident	80.2	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66.1	-42.9	175.1	-72	165	0	0	0	111.8	L902 L905 L953 F956 E957 V960 T1262 L1263 I1264 Y1268 F1269 Q1270	L902-L1266 HydrophobicContact CD1-CD2 4.03Å; L902-L1266 HydrophobicContact CD1-CG 4Å; L905-L1266 HydrophobicContact CD1-CD2 3.54Å; L953-L1266 HydrophobicContact CD2-CD2 4.36Å; F956-L1266 HydrophobicContact CD1-CD1 3.48Å; F956-L1266 VanDerWaalsContact CD1-CD1 3.48Å; F956-L1266 HydrophobicContact CD1-CD2 3.48Å; F956-L1266 VanDerWaalsContact CD1-CD2 3.48Å; F956-L1266 HydrophobicContact CD1-CG 4.05Å; F956-L1266 HydrophobicContact CE1-CD1 3.84Å; F956-L1266 HydrophobicContact CE1-CD2 3.92Å; F956-L1266 HydrophobicContact CE1-CG 4.31Å; F956-L1266 HydrophobicContact CG-CD2 4.41Å; E957-L1266 HydrophobicContact CB-CD1 4.22Å; V960-L1266 HydrophobicContact CG2-CD1 4.28Å; T1262-L1266 HydrophobicContact CG2-CD1 4.27Å; T1262-L1266 VanDerWaalsContact O-CG 3.32Å; T1262-L1266 WeakPolarHBondContact O-CG 3.49Å; T1262-L1266 PolarHBondContact O-N 3.31Å; L1263-L1266 HydrophobicContact CD2-CD1 4.46Å; L1263-L1266 PolarHBondContact O-N 3.31Å; I1264-L1266 VanDerWaalsContact C-N 3.32Å; I1264-L1266 PolarHBondContact O-N 2.86Å; L1266-Y1268 VanDerWaalsContact C-N 3.32Å; L1266-Y1268 PolarHBondContact O-N 2.92Å; L1266-F1269 PolarHBondContact O-N 3.11Å; L1266-F1269 VanDerWaalsContact O-N 3.08Å; L1266-Q1270 WeakPolarHBondContact O-CG 3.35Å; L1266-Q1270 PolarHBondContact O-N 3.12Å
1267	K	80.4	Confident	79.1	Confident	42 Å²	42	48.1 Å²	48.1	18%	0.183	22%	0.224	C	C	.	.	H	α-helix	trans	-57.6	-46.8	174.2	-168.6	174.2	-170.9	170.2	0	111.2	N1229 I1231 L1263 I1264 F1269 Q1270 D1271	N1229-K1267 PolarHBondContact O-NZ 2.9Å; N1229-K1267 VanDerWaalsContact O-NZ 3.12Å; I1231-K1267 HydrophobicContact CB-CD 4.36Å; I1231-K1267 HydrophobicContact CD1-CD 3.9Å; L1263-K1267 PolarHBondContact O-N 3.3Å; I1264-K1267 PolarHBondContact O-N 3.44Å; K1267-F1269 VanDerWaalsContact C-N 3.32Å; K1267-F1269 PolarHBondContact O-N 3.1Å; K1267-Q1270 PolarHBondContact O-N 3.18Å; K1267-D1271 VanDerWaalsContact O-CG 3.23Å; K1267-D1271 PolarHBondContact O-N 2.82Å
1268	Y	79.7	Confident	77.8	Confident	102 Å²	102	53 Å²	53	40%	0.4	25%	0.25	S	S	.	.	H	α-helix	trans	-56.2	-43.1	172.9	167.9	-110.4	0	0	0	112.7	V937 I1264 C1265 L1266 D1271 V1272	V937-Y1268 HydrophobicContact CB-CE1 4.32Å; V937-Y1268 HydrophobicContact CG1-CE1 4.42Å; I1264-Y1268 PolarHBondContact O-N 3.2Å; I1264-Y1268 VanDerWaalsContact O-N 3.14Å; C1265-Y1268 PolarHBondContact O-N 3.28Å; L1266-Y1268 VanDerWaalsContact C-N 3.32Å; L1266-Y1268 PolarHBondContact O-N 2.92Å; Y1268-D1271 PolarHBondContact O-N 3.14Å; Y1268-V1272 HydrophobicContact CD2-CG2 4.04Å; Y1268-V1272 HydrophobicContact CE1-CG2 4.45Å; Y1268-V1272 HydrophobicContact CE2-CG2 3.57Å; Y1268-V1272 VanDerWaalsContact O-CG2 3.28Å; Y1268-V1272 WeakPolarHBondContact O-CG2 3.47Å; Y1268-V1272 PolarHBondContact O-N 3.05Å
1269	F	80	Confident	76.2	Confident	4 Å²	4	57.8 Å²	57.8	2%	0.018	27%	0.273	C	S	.	.	H	α-helix	trans	-66.7	-38.5	177.4	-66.9	-9.7	0	0	0	112.9	L902 T906 V937 V939 L946 L953 C1265 L1266 K1267 Y1273	L902-F1269 HydrophobicContact CD1-CD2 4.33Å; L902-F1269 HydrophobicContact CD1-CE2 3.82Å; L902-F1269 HydrophobicContact CD2-CE2 3.93Å; L902-F1269 HydrophobicContact CD2-CZ 3.83Å; L902-F1269 HydrophobicContact CG-CE2 3.77Å; L902-F1269 HydrophobicContact CG-CZ 4.19Å; T906-F1269 HydrophobicContact CG2-CE2 4.08Å; T906-F1269 HydrophobicContact CG2-CZ 4.09Å; V937-F1269 HydrophobicContact CB-CD1 3.94Å; V937-F1269 HydrophobicContact CB-CE1 3.82Å; V937-F1269 HydrophobicContact CG1-CD1 3.63Å; V937-F1269 HydrophobicContact CG1-CE1 4.07Å; V937-F1269 HydrophobicContact CG1-CG 4.35Å; V937-F1269 HydrophobicContact CG2-CD1 4.33Å; V937-F1269 HydrophobicContact CG2-CE1 4.03Å; V937-F1269 HydrophobicContact CG2-CZ 4.44Å; V939-F1269 HydrophobicContact CG2-CE1 4.13Å; V939-F1269 HydrophobicContact CG2-CZ 3.77Å; L946-F1269 HydrophobicContact CD1-CD2 4.2Å; L946-F1269 HydrophobicContact CD1-CG 4.44Å; L946-F1269 HydrophobicContact CD2-CB 4.07Å; L953-F1269 HydrophobicContact CD1-CB 4.48Å; C1265-F1269 WeakPolarHBondContact O-CD1 3.5Å; C1265-F1269 WeakPolarHBondContact O-CG 3.17Å; C1265-F1269 PolarHBondContact O-N 3.17Å; L1266-F1269 PolarHBondContact O-N 3.11Å; L1266-F1269 VanDerWaalsContact O-N 3.08Å; K1267-F1269 VanDerWaalsContact C-N 3.32Å; K1267-F1269 PolarHBondContact O-N 3.1Å; F1269-Y1273 WeakPolarHBondContact O-CB 3.38Å; F1269-Y1273 PolarHBondContact O-N 3.02Å
1270	Q	80.7	Confident	74.5	Confident	13 Å²	13	64 Å²	64	6%	0.061	30%	0.297	C	S	.	.	H	α-helix	trans	-65.4	-42	175	-71.2	171	-13.5	0	0	111.6	L950 L953 E957 L1266 K1267 Y1273 K1274	L950-Q1270 HydrophobicContact CD1-CB 4.28Å; L950-Q1270 HydrophobicContact CD1-CG 4.1Å; L953-Q1270 HydrophobicContact CB-CG 4.16Å; L953-Q1270 HydrophobicContact CD1-CG 4.42Å; E957-Q1270 PolarHBondContact OE2-NE2 3.4Å; L1266-Q1270 WeakPolarHBondContact O-CG 3.35Å; L1266-Q1270 PolarHBondContact O-N 3.12Å; K1267-Q1270 PolarHBondContact O-N 3.18Å; Q1270-Y1273 WeakPolarHBondContact O-CB 3.45Å; Q1270-Y1273 PolarHBondContact O-N 3.21Å; Q1270-K1274 VanDerWaalsContact O-CG 3.31Å; Q1270-K1274 WeakPolarHBondContact O-CG 3.48Å; Q1270-K1274 PolarHBondContact O-N 3.45Å
1271	D	77.6	Confident	72.5	Confident	67 Å²	67	74.2 Å²	74.2	36%	0.358	34%	0.341	S	S	.	.	H	α-helix	trans	-63.1	-47.3	177.9	-67.2	-22.6	0	0	0	110.8	K1267 Y1268 Y1273 K1274 E1275	K1267-D1271 VanDerWaalsContact O-CG 3.23Å; K1267-D1271 PolarHBondContact O-N 2.82Å; Y1268-D1271 PolarHBondContact O-N 3.14Å; D1271-Y1273 VanDerWaalsContact C-N 3.29Å; D1271-Y1273 PolarHBondContact O-N 2.94Å; D1271-K1274 PolarHBondContact O-N 2.84Å; D1271-K1274 VanDerWaalsContact O-N 3.15Å; D1271-E1275 WeakPolarHBondContact O-CG 3.43Å; D1271-E1275 PolarHBondContact O-N 3.12Å
1272	V	77.1	Confident	72	Confident	16 Å²	16	70.8 Å²	70.8	10%	0.097	33%	0.332	C	S	.	.	H	α-helix	trans	-60.4	-38.6	174.4	172.2	0	0	0	0	111.7	P935 V937 Y1268 T1276	P935-V1272 HydrophobicContact CB-CG1 3.93Å; V937-V1272 HydrophobicContact CG1-CB 4.15Å; V937-V1272 HydrophobicContact CG1-CG1 3.83Å; V937-V1272 HydrophobicContact CG1-CG2 4.42Å; Y1268-V1272 HydrophobicContact CD2-CG2 4.04Å; Y1268-V1272 HydrophobicContact CE1-CG2 4.45Å; Y1268-V1272 HydrophobicContact CE2-CG2 3.57Å; Y1268-V1272 VanDerWaalsContact O-CG2 3.28Å; Y1268-V1272 WeakPolarHBondContact O-CG2 3.47Å; Y1268-V1272 PolarHBondContact O-N 3.05Å; V1272-T1276 WeakPolarHBondContact O-CB 3.47Å; V1272-T1276 PolarHBondContact O-N 3.15Å; V1272-T1276 PolarHBondContact O-OG1 3.43Å
1273	Y	77.2	Confident	71.5	Confident	51 Å²	51	73.8 Å²	73.8	20%	0.2	35%	0.345	C	S	.	.	H	α-helix	trans	-64.2	-44.9	175.6	-165	-76.8	0	0	0	111.6	P935 L946 Y948 L950 F1269 Q1270 D1271 T1276 K1277	P935-Y1273 HydrophobicContact CG-CD2 3.59Å; P935-Y1273 HydrophobicContact CG-CE2 4.13Å; P935-Y1273 HydrophobicContact CG-CG 4.1Å; L946-Y1273 HydrophobicContact CD2-CD2 4.22Å; Y948-Y1273 VanDerWaalsContact O-CE2 3.25Å; Y948-Y1273 WeakPolarHBondContact O-CE2 3.32Å; L950-Y1273 HydrophobicContact CB-CD1 4.15Å; L950-Y1273 HydrophobicContact CB-CE1 4.02Å; L950-Y1273 HydrophobicContact CD1-CD1 4.42Å; F1269-Y1273 WeakPolarHBondContact O-CB 3.38Å; F1269-Y1273 PolarHBondContact O-N 3.02Å; Q1270-Y1273 WeakPolarHBondContact O-CB 3.45Å; Q1270-Y1273 PolarHBondContact O-N 3.21Å; D1271-Y1273 VanDerWaalsContact C-N 3.29Å; D1271-Y1273 PolarHBondContact O-N 2.94Å; Y1273-T1276 PolarHBondContact O-N 2.83Å; Y1273-K1277 HydrophobicContact CE1-CD 4.42Å; Y1273-K1277 PolarHBondContact O-N 3.27Å; Y1273-K1277 VanDerWaalsContact O-N 3.08Å
1274	K	75.5	Confident	70.8	Confident	97 Å²	97	77.4 Å²	77.4	42%	0.422	36%	0.361	S	S	.	.	H	α-helix	trans	-62.7	-47.1	177.8	-73.6	170.2	-176	171.1	0	111.5	Q1270 D1271 T1276 K1277 L1278	Q1270-K1274 VanDerWaalsContact O-CG 3.31Å; Q1270-K1274 WeakPolarHBondContact O-CG 3.48Å; Q1270-K1274 PolarHBondContact O-N 3.45Å; D1271-K1274 PolarHBondContact O-N 2.84Å; D1271-K1274 VanDerWaalsContact O-N 3.15Å; K1274-T1276 PolarHBondContact O-N 2.94Å; K1274-K1277 PolarHBondContact O-N 2.73Å; K1274-L1278 PolarHBondContact O-N 3.46Å
1275	E	72.8	Confident	70.4	Confident	124 Å²	124	79.2 Å²	79.2	58%	0.579	37%	0.369	S	S	*	.	H	α-helix	trans	-58.8	-45.4	175.7	-74.3	-177.3	171.8	0	0	111.9	D1271 K1277 L1278 L1279	D1271-E1275 WeakPolarHBondContact O-CG 3.43Å; D1271-E1275 PolarHBondContact O-N 3.12Å; E1275-K1277 VanDerWaalsContact C-N 3.28Å; E1275-K1277 PolarHBondContact O-N 2.69Å; E1275-L1278 PolarHBondContact O-N 2.8Å; E1275-L1279 WeakPolarHBondContact O-CG 3.28Å; E1275-L1279 PolarHBondContact O-N 3.32Å
1276	T	68.5	Low	69.9	Low	31 Å²	31	81.3 Å²	81.3	19%	0.19	37%	0.372	C	S	.	.	H	α-helix	trans	-64.5	-32.6	179.6	-51.4	0	0	0	0	112.1	P935 V1272 Y1273 K1274 R1280	P935-T1276 HydrophobicContact CB-CG2 4.39Å; P935-T1276 HydrophobicContact CG-CG2 4.28Å; V1272-T1276 WeakPolarHBondContact O-CB 3.47Å; V1272-T1276 PolarHBondContact O-N 3.15Å; V1272-T1276 PolarHBondContact O-OG1 3.43Å; Y1273-T1276 PolarHBondContact O-N 2.83Å; K1274-T1276 PolarHBondContact O-N 2.94Å; T1276-R1280 WeakPolarHBondContact O-CG 3.41Å; T1276-R1280 PolarHBondContact O-N 2.91Å
1277	K	63.5	Low	69.2	Low	123 Å²	123	86.7 Å²	86.7	54%	0.535	40%	0.396	S	S	.	.	H	α-helix	trans	-79.1	-33.2	177.8	-161.8	177	-176.8	178.9	0	112.2	Y1273 K1274 E1275 R1280 K1281	Y1273-K1277 HydrophobicContact CE1-CD 4.42Å; Y1273-K1277 PolarHBondContact O-N 3.27Å; Y1273-K1277 VanDerWaalsContact O-N 3.08Å; K1274-K1277 PolarHBondContact O-N 2.73Å; E1275-K1277 VanDerWaalsContact C-N 3.28Å; E1275-K1277 PolarHBondContact O-N 2.69Å; K1277-R1280 PolarHBondContact O-N 2.87Å; K1277-K1281 PolarHBondContact O-N 3.1Å
1278	L	57.7	Low	68.4	Low	122 Å²	122	89.9 Å²	89.9	64%	0.639	41%	0.412	S	S	*	.	H	α-helix	trans	-63.9	-40.1	170.6	-88	153	0	0	0	111.6	K1274 E1275 R1280 K1281	K1274-L1278 PolarHBondContact O-N 3.46Å; E1275-L1278 PolarHBondContact O-N 2.8Å; L1278-R1280 PolarHBondContact O-N 3.15Å; L1278-K1281 PolarHBondContact O-N 3.04Å; L1278-K1281 VanDerWaalsContact O-OXT 3.06Å
1279	L	54	Low	67.5	Low	150 Å²	150	88.9 Å²	88.9	79%	0.785	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-14.1	175.6	-73.5	160.7	0	0	0	114.4	E1275	E1275-L1279 WeakPolarHBondContact O-CG 3.28Å; E1275-L1279 PolarHBondContact O-N 3.32Å
1280	R	50.3	Low	66.4	Low	132 Å²	132	96 Å²	96	50%	0.498	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-15.2	174.5	-73.6	-171.8	-153.6	177.9	8.5	113.8	G932 L933 T1276 K1277 L1278	G932-R1280 PolarHBondContact O-NE 3.1Å; G932-R1280 PolarHBondContact O-NH1 3.42Å; G932-R1280 VanDerWaalsContact O-NH1 3.15Å; G932-R1280 PolarHBondContact O-NH2 3.14Å; L933-R1280 VanDerWaalsContact CA-NH2 3.31Å; L933-R1280 PolarHBondContact O-NH2 3.38Å; T1276-R1280 WeakPolarHBondContact O-CG 3.41Å; T1276-R1280 PolarHBondContact O-N 2.91Å; K1277-R1280 PolarHBondContact O-N 2.87Å; L1278-R1280 PolarHBondContact O-N 3.15Å
1281	K	42.3	Very low	65.1	Low	226 Å²	226	103.5 Å²	103.5	98%	0.983	48%	0.481	S	S	*	.			trans	-89.1	0	170.7	-76.4	-173.3	173.9	-173.9	0	108.6	K1277 L1278	K1277-K1281 PolarHBondContact O-N 3.1Å; L1278-K1281 PolarHBondContact O-N 3.04Å; L1278-K1281 VanDerWaalsContact O-OXT 3.06Å

Retrieved 1,281 of 1,281 residues in 2232.7 ms (Link to these results)

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